smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(CC2CCCCC2)C1 ZINC001043232441 752144702 /nfs/dbraw/zinc/14/47/02/752144702.db2.gz GGETWWFMIDFBDE-UHFFFAOYSA-N -1 1 321.381 0.619 20 0 DCADMM CN(CC(F)(F)C(F)(F)F)C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC001126039071 748193855 /nfs/dbraw/zinc/19/38/55/748193855.db2.gz JHTZQTBPGGBJPP-UHFFFAOYSA-N -1 1 316.186 0.740 20 0 DCADMM CCc1nnc([C@H](C)NCCNC(=O)c2ncccc2[O-])o1 ZINC001126131167 748233443 /nfs/dbraw/zinc/23/34/43/748233443.db2.gz MMFDJJMDJHGRGV-VIFPVBQESA-N -1 1 305.338 0.813 20 0 DCADMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)C(=O)N(C)C ZINC000692906269 748428606 /nfs/dbraw/zinc/42/86/06/748428606.db2.gz XHQIXCITJRZNCJ-ZCFIWIBFSA-N -1 1 309.750 0.629 20 0 DCADMM Cn1nnc(C[N-]S(=O)(=O)c2cccc3scnc32)n1 ZINC001211723453 748481791 /nfs/dbraw/zinc/48/17/91/748481791.db2.gz VWWCATXSBXWJDL-UHFFFAOYSA-N -1 1 310.364 0.298 20 0 DCADMM COc1ccnc(N(C)CCN(C)C(=O)c2ncccc2[O-])n1 ZINC001105376248 748693764 /nfs/dbraw/zinc/69/37/64/748693764.db2.gz MFUBRHNUTZPJCH-UHFFFAOYSA-N -1 1 317.349 0.794 20 0 DCADMM CCCNC(=O)[C@H](C)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001112783967 761918826 /nfs/dbraw/zinc/91/88/26/761918826.db2.gz KHXPOHGMXGAXLU-LBPRGKRZSA-N -1 1 320.393 0.460 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088450513 749456695 /nfs/dbraw/zinc/45/66/95/749456695.db2.gz PBKFZZGYKGIZDX-YPMHNXCESA-N -1 1 315.377 0.501 20 0 DCADMM O=C(NC[C@@H](O)CNc1ncc(Cl)cn1)c1ncccc1[O-] ZINC001105802980 750486739 /nfs/dbraw/zinc/48/67/39/750486739.db2.gz UVGROZIOWVCKKR-SECBINFHSA-N -1 1 323.740 0.433 20 0 DCADMM C[C@@H]1CCC[C@@]1(C)C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001043775920 752385408 /nfs/dbraw/zinc/38/54/08/752385408.db2.gz TZGGLOKQNNWSQA-BDJLRTHQSA-N -1 1 321.425 0.577 20 0 DCADMM CO[C@@H](C)CN1CCO[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001107890884 752490440 /nfs/dbraw/zinc/49/04/40/752490440.db2.gz ZAEKJHSCGBGHDC-BLLLJJGKSA-N -1 1 323.393 0.643 20 0 DCADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001044124671 752581362 /nfs/dbraw/zinc/58/13/62/752581362.db2.gz NDSXPONGTRUIQA-BLLLJJGKSA-N -1 1 321.425 0.433 20 0 DCADMM C[C@H]1CC[C@H](C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1 ZINC001044204823 752627572 /nfs/dbraw/zinc/62/75/72/752627572.db2.gz GPZYLECDORPNKB-HAQNSBGRSA-N -1 1 321.425 0.577 20 0 DCADMM C[C@@H](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1ncccc1[O-] ZINC001077903560 752845866 /nfs/dbraw/zinc/84/58/66/752845866.db2.gz JQNIRDKGVUVAMJ-MEWQQHAOSA-N -1 1 319.361 0.304 20 0 DCADMM Cn1ncnc1CNC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001045008522 752992991 /nfs/dbraw/zinc/99/29/91/752992991.db2.gz GQGSFDZBCITUOT-NSHDSACASA-N -1 1 316.365 0.310 20 0 DCADMM O=C(Cc1cncs1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045080483 753037965 /nfs/dbraw/zinc/03/79/65/753037965.db2.gz RYBHGTOBCHOMSP-VIFPVBQESA-N -1 1 322.394 0.290 20 0 DCADMM Cc1cc(C)c(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)[nH]1 ZINC001045094939 753045435 /nfs/dbraw/zinc/04/54/35/753045435.db2.gz SYJQEJQGANLHQW-NSHDSACASA-N -1 1 318.381 0.850 20 0 DCADMM Cc1cocc1C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045157594 753065626 /nfs/dbraw/zinc/06/56/26/753065626.db2.gz UHVHALZHQNNPNR-JTQLQIEISA-N -1 1 305.338 0.806 20 0 DCADMM O=C(C1CCC1)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078310448 753180551 /nfs/dbraw/zinc/18/05/51/753180551.db2.gz RSHWZPCTQBTGPD-LLVKDONJSA-N -1 1 309.370 0.018 20 0 DCADMM Cn1[n-]c(CN2CCC(C)(NC(=O)[C@@H]3CC3(C)C)CC2)nc1=O ZINC001045410726 753182641 /nfs/dbraw/zinc/18/26/41/753182641.db2.gz IGLNIYMSHUFENO-NSHDSACASA-N -1 1 321.425 0.625 20 0 DCADMM O=C(CC1CC1)N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2 ZINC001078530747 753285639 /nfs/dbraw/zinc/28/56/39/753285639.db2.gz BIHUHOTWVGGAFR-QWRGUYRKSA-N -1 1 305.382 0.827 20 0 DCADMM O=C(N[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2)C1CC=CC1 ZINC001078584444 753304995 /nfs/dbraw/zinc/30/49/95/753304995.db2.gz ZVDVCOWFIZMOGD-VXGBXAGGSA-N -1 1 317.393 0.994 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1 ZINC001045826262 753344615 /nfs/dbraw/zinc/34/46/15/753344615.db2.gz PPLLFXYMESWRRC-FVCCEPFGSA-N -1 1 319.409 0.330 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cnc2nccn2c1 ZINC001168692502 753434403 /nfs/dbraw/zinc/43/44/03/753434403.db2.gz CWWDWEONXXYUJR-LBPRGKRZSA-N -1 1 320.316 0.762 20 0 DCADMM Cn1[n-]c(CN2CC[C@@](C)(NC(=O)c3ccccc3)C2)nc1=O ZINC001046110581 753485291 /nfs/dbraw/zinc/48/52/91/753485291.db2.gz GFQQONCDYOEGRL-MRXNPFEDSA-N -1 1 315.377 0.503 20 0 DCADMM O=C(CC1CC1)NC[C@H]1COCCN1C(=O)c1ncccc1[O-] ZINC001061194908 753566779 /nfs/dbraw/zinc/56/67/79/753566779.db2.gz CMOUTMSPMFIASI-LBPRGKRZSA-N -1 1 319.361 0.545 20 0 DCADMM CC[C@@H](C(N)=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001046259359 753595428 /nfs/dbraw/zinc/59/54/28/753595428.db2.gz JYNJZUUARPRNMP-BONVTDFDSA-N -1 1 306.366 0.245 20 0 DCADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)c1ccn(C2CCCC2)n1 ZINC001128455369 753674937 /nfs/dbraw/zinc/67/49/37/753674937.db2.gz GFOHWCQRCSYLLQ-UHFFFAOYSA-N -1 1 319.369 0.342 20 0 DCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2)c1ccon1 ZINC001047030822 754068847 /nfs/dbraw/zinc/06/88/47/754068847.db2.gz QUKGMHSEPQAIIG-AEJSXWLSSA-N -1 1 318.337 0.281 20 0 DCADMM CC(C)C[C@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001113465535 762311676 /nfs/dbraw/zinc/31/16/76/762311676.db2.gz OGPSWVPCCLEONR-LBPRGKRZSA-N -1 1 309.414 0.435 20 0 DCADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)c1cccc2c1COCC2 ZINC001129223847 754573245 /nfs/dbraw/zinc/57/32/45/754573245.db2.gz IDBJLEAHUSFCRA-UHFFFAOYSA-N -1 1 317.349 0.103 20 0 DCADMM CO[C@@H](C)CC(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062839597 755000170 /nfs/dbraw/zinc/00/01/70/755000170.db2.gz XAZUMEOGFFRWIN-NSHDSACASA-N -1 1 321.377 0.981 20 0 DCADMM COCCCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC001113532761 762367323 /nfs/dbraw/zinc/36/73/23/762367323.db2.gz CUDHUAZDFMDEHB-UHFFFAOYSA-N -1 1 320.349 0.723 20 0 DCADMM COCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001049684522 755363317 /nfs/dbraw/zinc/36/33/17/755363317.db2.gz GNQGITBJTVJGFE-NEPJUHHUSA-N -1 1 321.377 0.791 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]3[C@@H]2CCCN3C(=O)C(C)(C)C)nc1=O ZINC001049856407 755426070 /nfs/dbraw/zinc/42/60/70/755426070.db2.gz FCVICHNZPCKASZ-RYUDHWBXSA-N -1 1 321.425 0.720 20 0 DCADMM CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001049927923 755451242 /nfs/dbraw/zinc/45/12/42/755451242.db2.gz CECQIUCUCCZWMU-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)F)C3)nc1=O ZINC001096721733 755506381 /nfs/dbraw/zinc/50/63/81/755506381.db2.gz QDOQMDNQNDIUJW-BBBLOLIVSA-N -1 1 311.361 0.078 20 0 DCADMM CCC/C=C/CCN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001113583642 762403571 /nfs/dbraw/zinc/40/35/71/762403571.db2.gz WTCUEHVYJZAFCM-SNAWJCMRSA-N -1 1 323.397 0.580 20 0 DCADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)[C@@H](C)COC)C1 ZINC001079653148 755945192 /nfs/dbraw/zinc/94/51/92/755945192.db2.gz VBQJOQFLPFAFEI-NSHDSACASA-N -1 1 321.377 0.743 20 0 DCADMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001080407492 756201597 /nfs/dbraw/zinc/20/15/97/756201597.db2.gz DFKXATPPCODBQT-FDYHWXHSSA-N -1 1 321.425 0.481 20 0 DCADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1CC2(CC2)C1 ZINC001080416120 756206092 /nfs/dbraw/zinc/20/60/92/756206092.db2.gz INXCNQZZYYUROM-ZYHUDNBSSA-N -1 1 319.409 0.235 20 0 DCADMM C[C@H]1CN(C(=O)c2ccccc2F)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054342083 756442538 /nfs/dbraw/zinc/44/25/38/756442538.db2.gz WZECWSUZDAOOCJ-CABZTGNLSA-N -1 1 319.340 0.900 20 0 DCADMM Cc1ccc(C(=O)N2C[C@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)o1 ZINC001054363352 756453647 /nfs/dbraw/zinc/45/36/47/756453647.db2.gz OUPQKRPKGHIWCU-WCBMZHEXSA-N -1 1 305.338 0.662 20 0 DCADMM Cc1ccc(C(=O)N2C[C@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001054392822 756469418 /nfs/dbraw/zinc/46/94/18/756469418.db2.gz XQGTVMIKGMQTGU-JOYOIKCWSA-N -1 1 316.365 0.464 20 0 DCADMM C/C(=C\C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1)C1CC1 ZINC001054447769 756488560 /nfs/dbraw/zinc/48/85/60/756488560.db2.gz JHSOFNQGIAJWFJ-ISSQNVIXSA-N -1 1 305.382 0.803 20 0 DCADMM C[C@H]1CN(C(=O)c2cscn2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054484592 756506339 /nfs/dbraw/zinc/50/63/39/756506339.db2.gz SNNLLHFFERWFBK-JGVFFNPUSA-N -1 1 308.367 0.217 20 0 DCADMM Cc1nonc1CN[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001054587676 756552998 /nfs/dbraw/zinc/55/29/98/756552998.db2.gz FJMOBQJUDRCXJS-BXKDBHETSA-N -1 1 317.349 0.729 20 0 DCADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NCc1csnn1 ZINC001054589088 756555087 /nfs/dbraw/zinc/55/50/87/756555087.db2.gz MZVTVUGOPRCTEE-MWLCHTKSSA-N -1 1 319.390 0.889 20 0 DCADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NCc1nncn1C ZINC001054591770 756556701 /nfs/dbraw/zinc/55/67/01/756556701.db2.gz VZFCHFRJFNDIKU-WDEREUQCSA-N -1 1 316.365 0.166 20 0 DCADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)ns1 ZINC001054624670 756580915 /nfs/dbraw/zinc/58/09/15/756580915.db2.gz VFWMZIGYPABCEI-OIBJUYFYSA-N -1 1 322.394 0.526 20 0 DCADMM CCc1n[nH]cc1C(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054842986 756651625 /nfs/dbraw/zinc/65/16/25/756651625.db2.gz ZNXJCLWKMKNRFK-GZMMTYOYSA-N -1 1 319.369 0.046 20 0 DCADMM C[C@H]1CN(C(=O)CCc2ccon2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054902159 756670006 /nfs/dbraw/zinc/67/00/06/756670006.db2.gz BHQGQXCVWLZKNO-GXSJLCMTSA-N -1 1 320.353 0.068 20 0 DCADMM CC1(C(=O)NC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2O)CC1 ZINC001081542249 756708157 /nfs/dbraw/zinc/70/81/57/756708157.db2.gz QEDDKATYQKNBOW-JQWIXIFHSA-N -1 1 319.361 0.136 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CCC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001050118531 757387270 /nfs/dbraw/zinc/38/72/70/757387270.db2.gz VKQPAHDFKWIWQE-ZDEQEGDKSA-N -1 1 319.409 0.187 20 0 DCADMM O=C(CCC1CC1)NCCN(CCO)C(=O)c1ncccc1[O-] ZINC001057410775 757736201 /nfs/dbraw/zinc/73/62/01/757736201.db2.gz WPWDINCYURFNDW-UHFFFAOYSA-N -1 1 321.377 0.528 20 0 DCADMM Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(C)(C)C)nc1=O ZINC001113876060 762656147 /nfs/dbraw/zinc/65/61/47/762656147.db2.gz KVSFAQIZUPPPMU-IWIIMEHWSA-N -1 1 307.398 0.091 20 0 DCADMM O=C(Cc1ccco1)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001085370382 758841838 /nfs/dbraw/zinc/84/18/38/758841838.db2.gz OCZNLDPQFHFPSD-VXGBXAGGSA-N -1 1 319.365 0.863 20 0 DCADMM O=C(Cc1cnn2c1CCCC2)N1CCC(c2nn[n-]n2)CC1 ZINC000827916249 758895049 /nfs/dbraw/zinc/89/50/49/758895049.db2.gz POWWGJUKNSTJKV-UHFFFAOYSA-N -1 1 315.381 0.681 20 0 DCADMM CC(C)=CCN1CC[C@H]1CN(C)C(=O)c1cnc([O-])n(C)c1=O ZINC001085759499 759280967 /nfs/dbraw/zinc/28/09/67/759280967.db2.gz ITBFAFVWXCQGDH-LBPRGKRZSA-N -1 1 320.393 0.598 20 0 DCADMM CCOCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001052420116 759409076 /nfs/dbraw/zinc/40/90/76/759409076.db2.gz CEUFNHFZCJGPID-NEPJUHHUSA-N -1 1 321.377 0.648 20 0 DCADMM Cc1cc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)c2cnn(C)c2n1 ZINC001148181134 767932013 /nfs/dbraw/zinc/93/20/13/767932013.db2.gz ZORCWTYQWQOMAK-MRVPVSSYSA-N -1 1 316.321 0.204 20 0 DCADMM CCC(=O)NC[C@H]1CCC2(CN(C(=O)c3ncccc3[O-])C2)O1 ZINC001068472207 760372288 /nfs/dbraw/zinc/37/22/88/760372288.db2.gz JICMMPWHMGLDQU-LLVKDONJSA-N -1 1 319.361 0.687 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC(C)(C)S(C)(=O)=O ZINC001148294594 767960008 /nfs/dbraw/zinc/96/00/08/767960008.db2.gz KFRQUELQDMDOJA-UHFFFAOYSA-N -1 1 319.408 0.332 20 0 DCADMM Cc1ccc2oc(C(=O)NCCNCc3n[nH]c(=O)[n-]3)cc2n1 ZINC001148552492 768015127 /nfs/dbraw/zinc/01/51/27/768015127.db2.gz DDVLPTOIHHKXLE-UHFFFAOYSA-N -1 1 316.321 0.480 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H](CO)CC(F)(F)F ZINC001123783185 768056650 /nfs/dbraw/zinc/05/66/50/768056650.db2.gz PTJSGISHFBMGPH-YFKPBYRVSA-N -1 1 311.285 0.822 20 0 DCADMM Cn1nnnc1NC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148981670 768069720 /nfs/dbraw/zinc/06/97/20/768069720.db2.gz QWABQYDHVRUAAE-UHFFFAOYSA-N -1 1 314.099 0.636 20 0 DCADMM Cc1nc(C)c(CC(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)s1 ZINC001129521098 762956837 /nfs/dbraw/zinc/95/68/37/762956837.db2.gz WZTXGHHVZLNRTC-UHFFFAOYSA-N -1 1 318.362 0.981 20 0 DCADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)C1(Cc2ccccc2)CC1 ZINC001129688155 762988094 /nfs/dbraw/zinc/98/80/94/762988094.db2.gz WHKIFPOVMYICEU-UHFFFAOYSA-N -1 1 315.377 0.739 20 0 DCADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)c1cccc2ncccc21 ZINC001132059099 764217265 /nfs/dbraw/zinc/21/72/65/764217265.db2.gz ZKPOCOVHDRVJKV-UHFFFAOYSA-N -1 1 312.333 0.578 20 0 DCADMM CC(C)=C(F)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001101876536 764391246 /nfs/dbraw/zinc/39/12/46/764391246.db2.gz UTTQTUJFPHQZGA-NXEZZACHSA-N -1 1 311.361 0.958 20 0 DCADMM Cc1nccc(NC[C@@H](O)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001124329318 768217239 /nfs/dbraw/zinc/21/72/39/768217239.db2.gz JHKQBWYPCSRFFQ-LLVKDONJSA-N -1 1 317.349 0.431 20 0 DCADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CCNC(=O)c1cc[nH]c1 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KCHMGQNCFQHTFH-MRVPVSSYSA-N -1 1 313.321 0.724 20 0 DCADMM O=C([O-])c1ccc(NC(=O)NCC(=O)N2CCNCC2)c(F)c1 ZINC000390995857 972311298 /nfs/dbraw/zinc/31/12/98/972311298.db2.gz ZIXNZOGFEMDJTA-UHFFFAOYSA-N -1 1 324.312 0.077 20 0 DCADMM COC(=O)c1[n-]cnc1NC(=O)c1nc(OC)cc(OC)n1 ZINC001361438002 957968787 /nfs/dbraw/zinc/96/87/87/957968787.db2.gz KUKJUJAONSYLNH-UHFFFAOYSA-N -1 1 307.266 0.256 20 0 DCADMM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)NCCCCCC(=O)[O-] ZINC001343057150 958025601 /nfs/dbraw/zinc/02/56/01/958025601.db2.gz XTXDTYQGZSRWHS-QWHCGFSZSA-N -1 1 315.414 0.728 20 0 DCADMM COc1ccc(C(=O)[N-]C(=O)C[N@@H+](C)CCCC(=O)[O-])cc1 ZINC001594077886 958231169 /nfs/dbraw/zinc/23/11/69/958231169.db2.gz DXPBRTCFUVPVNN-UHFFFAOYSA-N -1 1 308.334 0.748 20 0 DCADMM NC(=O)CCN(C(=O)CCCc1nn[n-]n1)c1ccccc1 ZINC001361719002 958250149 /nfs/dbraw/zinc/25/01/49/958250149.db2.gz WJMMZPAJVKMXCA-UHFFFAOYSA-N -1 1 302.338 0.431 20 0 DCADMM CSc1ncc(C(=O)N2CCC(CC(N)=O)CC2)c(=O)[n-]1 ZINC001361810230 958356996 /nfs/dbraw/zinc/35/69/96/958356996.db2.gz SFBHAFABEJAPPF-UHFFFAOYSA-N -1 1 310.379 0.632 20 0 DCADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](OCC)[C@H]2CCOC2)n1 ZINC001361816627 958364845 /nfs/dbraw/zinc/36/48/45/958364845.db2.gz SYTKEMSUZCSGAP-ONGXEEELSA-N -1 1 311.338 0.967 20 0 DCADMM Cc1ccn([C@H](C)CC(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)n1 ZINC001367693597 958385755 /nfs/dbraw/zinc/38/57/55/958385755.db2.gz PMUYXAWMEKEVPM-GHMZBOCLSA-N -1 1 321.385 0.261 20 0 DCADMM O=C(NCc1nn[n-]n1)[C@@H](O)c1cccc(Br)c1 ZINC001361914976 958482877 /nfs/dbraw/zinc/48/28/77/958482877.db2.gz LHWBTBKMAURGPE-VIFPVBQESA-N -1 1 312.127 0.312 20 0 DCADMM CC(C)Cn1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)n1 ZINC001361927615 958502357 /nfs/dbraw/zinc/50/23/57/958502357.db2.gz SLAUQZNRYMMAKW-LLVKDONJSA-N -1 1 305.342 0.266 20 0 DCADMM COCC(=O)NC1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001361930197 958503866 /nfs/dbraw/zinc/50/38/66/958503866.db2.gz ZUMSTXXVQJYTEJ-UHFFFAOYSA-N -1 1 310.325 0.899 20 0 DCADMM COCCCC(=O)NC/C=C\CNC(=O)c1ncccc1[O-] ZINC001298280128 958508200 /nfs/dbraw/zinc/50/82/00/958508200.db2.gz VLHGMPALALNVJF-IHWYPQMZSA-N -1 1 307.350 0.616 20 0 DCADMM NC(=O)NC[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001362014884 958609094 /nfs/dbraw/zinc/60/90/94/958609094.db2.gz JSPHNHRNUKXNLP-JTQLQIEISA-N -1 1 319.365 0.723 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCC[C@H]1C(=O)Nc2ccccc21 ZINC001362035051 958634034 /nfs/dbraw/zinc/63/40/34/958634034.db2.gz NGDFGZRISJMKMK-LLVKDONJSA-N -1 1 314.349 0.765 20 0 DCADMM CCC[C@@H](NC(=O)Cn1c(C)cc(C)nc1=O)c1nn[n-]n1 ZINC001362070208 958688541 /nfs/dbraw/zinc/68/85/41/958688541.db2.gz RHBBHXLGOCGCAF-SNVBAGLBSA-N -1 1 305.342 0.031 20 0 DCADMM CC(=O)NCCN(C(=O)CCc1cc(C)[nH]n1)[C@H](C)C(=O)[O-] ZINC001588506940 958735439 /nfs/dbraw/zinc/73/54/39/958735439.db2.gz WMMULWHIEBLWAV-SNVBAGLBSA-N -1 1 310.354 0.089 20 0 DCADMM Cc1nc(N2CCOCC2)ccc1NC(=O)CCc1nn[n-]n1 ZINC001362236173 958977269 /nfs/dbraw/zinc/97/72/69/958977269.db2.gz JHABPAKDTSFDHR-UHFFFAOYSA-N -1 1 317.353 0.311 20 0 DCADMM CC(C)(C)OC(=O)NCC(C)(C)NC(=O)CCc1nn[n-]n1 ZINC001362240474 958984384 /nfs/dbraw/zinc/98/43/84/958984384.db2.gz VVQOOCZHEWJTPO-UHFFFAOYSA-N -1 1 312.374 0.552 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC001362241422 958987600 /nfs/dbraw/zinc/98/76/00/958987600.db2.gz SJZKMBZACOZMIH-DJLDLDEBSA-N -1 1 309.322 0.584 20 0 DCADMM CSc1ncc(C(=O)NCCc2c(C)[nH][nH]c2=O)c(=O)[n-]1 ZINC001362242918 958990170 /nfs/dbraw/zinc/99/01/70/958990170.db2.gz AHSAHBALIDWHNF-SSDOTTSWSA-N -1 1 309.351 0.146 20 0 DCADMM C[C@H](CNC(=O)c1cc(Cl)no1)NCc1n[nH]c(=O)[n-]1 ZINC001491650593 959011700 /nfs/dbraw/zinc/01/17/00/959011700.db2.gz QWCBLFSTMYJURR-RXMQYKEDSA-N -1 1 300.706 0.060 20 0 DCADMM CCC(=O)N[C@@H](C)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001362295993 959089132 /nfs/dbraw/zinc/08/91/32/959089132.db2.gz IETIGVRSTTUEIS-VIFPVBQESA-N -1 1 318.337 0.632 20 0 DCADMM CSc1ncc(C(=O)Nc2ccc(C(N)=O)nc2)c(=O)[n-]1 ZINC001362335581 959167232 /nfs/dbraw/zinc/16/72/32/959167232.db2.gz FQJHJTQHGWJLNY-UHFFFAOYSA-N -1 1 305.319 0.650 20 0 DCADMM C[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])C[C@H](C)S1 ZINC001362370775 959230709 /nfs/dbraw/zinc/23/07/09/959230709.db2.gz GXYHVXBDHZUVLY-AOOOYVTPSA-N -1 1 309.391 0.869 20 0 DCADMM O=C(c1cnn2c1NCCC2)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001362374365 959239077 /nfs/dbraw/zinc/23/90/77/959239077.db2.gz IHBTWAGNMDBOIU-SECBINFHSA-N -1 1 318.337 0.807 20 0 DCADMM CC1SC(C(=O)N2CCSC[C@H]2c2nn[n-]n2)=NC1=O ZINC001362404983 959288648 /nfs/dbraw/zinc/28/86/48/959288648.db2.gz FUXQGQODGSUKAT-LURJTMIESA-N -1 1 312.380 0.601 20 0 DCADMM C[C@@H](C(=O)N1CCSC[C@H]1c1nn[n-]n1)c1cnccn1 ZINC001362411265 959300037 /nfs/dbraw/zinc/30/00/37/959300037.db2.gz SDTYXJVSEGISRI-SCZZXKLOSA-N -1 1 305.367 0.410 20 0 DCADMM CC(=O)NCCN(Cc1ccsc1)C(=O)CCc1nn[n-]n1 ZINC001362412893 959305261 /nfs/dbraw/zinc/30/52/61/959305261.db2.gz ZOVIOKKIMRFJER-UHFFFAOYSA-N -1 1 322.394 0.359 20 0 DCADMM CCC(CC)(NC(=O)c1nc(OC)cc(OC)n1)c1nn[n-]n1 ZINC001362429594 959338993 /nfs/dbraw/zinc/33/89/93/959338993.db2.gz XAQJXUIULMDTPG-UHFFFAOYSA-N -1 1 321.341 0.452 20 0 DCADMM O=C(NCCO)c1ccc(NC(=O)c2cnncc2[O-])cc1 ZINC001362439511 959358956 /nfs/dbraw/zinc/35/89/56/959358956.db2.gz RHZHKPGJZGWOBT-UHFFFAOYSA-N -1 1 302.290 0.157 20 0 DCADMM CS(=O)(=O)c1cccc(CNC(=O)c2cnncc2[O-])c1 ZINC001362441175 959363813 /nfs/dbraw/zinc/36/38/13/959363813.db2.gz FUBCYCJXAUNSPT-UHFFFAOYSA-N -1 1 307.331 0.516 20 0 DCADMM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC001594220421 959367306 /nfs/dbraw/zinc/36/73/06/959367306.db2.gz KMZNBDFGGFHJNF-BZPMIXESSA-N -1 1 316.423 0.740 20 0 DCADMM CCC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)n[n-]1 ZINC001464004846 1013189778 /nfs/dbraw/zinc/18/97/78/1013189778.db2.gz FMGZSANXVPJXIZ-PSASIEDQSA-N -1 1 319.383 0.272 20 0 DCADMM Cc1nc(CN2CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC2)n[nH]1 ZINC001594452602 959391134 /nfs/dbraw/zinc/39/11/34/959391134.db2.gz 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C[C@H]1CN(C(=O)CCc2ccncn2)CCN1CCC(=O)[O-] ZINC001594465319 999683689 /nfs/dbraw/zinc/68/36/89/999683689.db2.gz PAPPTVLFWZEKRV-LBPRGKRZSA-N -1 1 306.366 0.417 20 0 DCADMM C[C@H]1CN(C(=O)CN2CCSC2=O)CCN1CCC(=O)[O-] ZINC001594469414 999698833 /nfs/dbraw/zinc/69/88/33/999698833.db2.gz VGBINGBMJLQJCO-JTQLQIEISA-N -1 1 315.395 0.163 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)c1n[nH]c2c1CCC2 ZINC001505641947 1016390095 /nfs/dbraw/zinc/39/00/95/1016390095.db2.gz WEIIUSBZXHYDHX-HTQZYQBOSA-N -1 1 319.369 0.019 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCc2cc[nH]c(=O)c21 ZINC001418664252 1000432212 /nfs/dbraw/zinc/43/22/12/1000432212.db2.gz LZBXFOVJGWHDND-UHFFFAOYSA-N -1 1 318.289 0.590 20 0 DCADMM O=C(c1cc(O)ccc1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001418863813 1000575327 /nfs/dbraw/zinc/57/53/27/1000575327.db2.gz PAQHCBLXXYWDHP-SNVBAGLBSA-N -1 1 309.713 0.772 20 0 DCADMM CC(C)(C)n1cccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1=O ZINC001419043473 1000716568 /nfs/dbraw/zinc/71/65/68/1000716568.db2.gz PCPJHIJJPPKFBJ-SNVBAGLBSA-N -1 1 316.365 0.746 20 0 DCADMM CC(C)CN(Cc1nn[n-]n1)C(=O)COCc1ccccn1 ZINC001419137768 1000807218 /nfs/dbraw/zinc/80/72/18/1000807218.db2.gz ODFMGIJMVPRLFY-UHFFFAOYSA-N -1 1 304.354 0.796 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001419137986 1000808030 /nfs/dbraw/zinc/80/80/30/1000808030.db2.gz PPBJBQNGSNIMLK-GFCCVEGCSA-N -1 1 322.413 0.975 20 0 DCADMM C[C@H](C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(C)(C)C ZINC001401888704 1000820958 /nfs/dbraw/zinc/82/09/58/1000820958.db2.gz BKXNYSYGVBEGHR-MNOVXSKESA-N -1 1 309.414 0.481 20 0 DCADMM Cn1[n-]c(CN2CCC(C)(NC(=O)C(C)(C)F)CC2)nc1=O ZINC001402070511 1000991811 /nfs/dbraw/zinc/99/18/11/1000991811.db2.gz JDZGDMAQYXDWMH-UHFFFAOYSA-N -1 1 313.377 0.327 20 0 DCADMM COC[C@H](NC(=O)c1cncc(C(F)(F)F)c1)c1nn[n-]n1 ZINC001419552246 1001134565 /nfs/dbraw/zinc/13/45/65/1001134565.db2.gz KQRLAYQDHGICBU-QMMMGPOBSA-N -1 1 316.243 0.731 20 0 DCADMM CCN(CC)C(=O)CCCC(=O)N[C@@H](COC)c1nn[n-]n1 ZINC001419560338 1001140267 /nfs/dbraw/zinc/14/02/67/1001140267.db2.gz ZGPWMLAUEFGKBG-JTQLQIEISA-N -1 1 312.374 0.042 20 0 DCADMM COC[C@@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)c1nn[n-]n1 ZINC001419560480 1001141084 /nfs/dbraw/zinc/14/10/84/1001141084.db2.gz ZUGAEGXFUGDQDX-GXSJLCMTSA-N -1 1 321.312 0.394 20 0 DCADMM CCc1nc(C(=O)N(C)[C@H](C)CNCc2n[nH]c(=O)[n-]2)c(C)o1 ZINC001419751791 1001280374 /nfs/dbraw/zinc/28/03/74/1001280374.db2.gz VFBJZYVEBITBGH-MRVPVSSYSA-N -1 1 322.369 0.619 20 0 DCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001402576749 1001417992 /nfs/dbraw/zinc/41/79/92/1001417992.db2.gz WKPOQLDGGTZGIR-QWRGUYRKSA-N -1 1 307.398 0.931 20 0 DCADMM O=C(c1conc1C(F)(F)F)N1CCOC[C@H]1c1nn[n-]n1 ZINC001470933864 1016501262 /nfs/dbraw/zinc/50/12/62/1016501262.db2.gz HMXOOIUAYIUOAA-LURJTMIESA-N -1 1 318.215 0.420 20 0 DCADMM CC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1C ZINC001470934240 1016501669 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O=C([C@H]1CC(c2cccnc2)=NO1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001471461619 1016583076 /nfs/dbraw/zinc/58/30/76/1016583076.db2.gz XJGUXGXCNFYQDN-ZYHUDNBSSA-N -1 1 313.321 0.104 20 0 DCADMM COC(=O)[C@@]1(O)CCN(C(=O)c2cc(C)cc(C=O)c2[O-])C1 ZINC001471525859 1016598468 /nfs/dbraw/zinc/59/84/68/1016598468.db2.gz NIPHOUXAYJRYIC-OAHLLOKOSA-N -1 1 307.302 0.263 20 0 DCADMM CCc1ccc(CC(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)nc1 ZINC001420465116 1002457586 /nfs/dbraw/zinc/45/75/86/1002457586.db2.gz YRVGLMGBQBRIMC-JTQLQIEISA-N -1 1 318.381 0.305 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2cccnc2C)o1 ZINC001420489092 1002492630 /nfs/dbraw/zinc/49/26/30/1002492630.db2.gz QZBGATCWSGEEAO-UHFFFAOYSA-N -1 1 323.374 0.864 20 0 DCADMM COc1cccc([C@H](O)C(=O)NC2(c3nn[n-]n3)CCC2)c1 ZINC001471659437 1016628506 /nfs/dbraw/zinc/62/85/06/1016628506.db2.gz DDVRHQSFJDTVED-NSHDSACASA-N -1 1 303.322 0.437 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1coc(CC2CC2)n1 ZINC001420493595 1002498059 /nfs/dbraw/zinc/49/80/59/1002498059.db2.gz LAUCNKILUPEQRV-QMMMGPOBSA-N -1 1 320.353 0.359 20 0 DCADMM CC(C)[C@H](C)C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001420505889 1002518406 /nfs/dbraw/zinc/51/84/06/1002518406.db2.gz VDGRBOUSHDDQIY-NWDGAFQWSA-N -1 1 309.414 0.481 20 0 DCADMM CC(C)c1occc1C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1 ZINC001403791134 1002527570 /nfs/dbraw/zinc/52/75/70/1002527570.db2.gz OMAMFNZBIWGVAU-UHFFFAOYSA-N -1 1 321.381 0.687 20 0 DCADMM CN(CCNC(=O)C1(C)C(C)(C)C1(C)C)Cc1nc(=O)n(C)[n-]1 ZINC001403804309 1002549019 /nfs/dbraw/zinc/54/90/19/1002549019.db2.gz XYXHROUMRWYSCE-UHFFFAOYSA-N -1 1 323.441 0.729 20 0 DCADMM CC(C)OCC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C(C)(C)C1 ZINC001403810782 1002554284 /nfs/dbraw/zinc/55/42/84/1002554284.db2.gz UHASTGQYBHTAAI-SNVBAGLBSA-N -1 1 311.386 0.262 20 0 DCADMM COC[C@@H](C)C(=O)N(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001425475005 1002714778 /nfs/dbraw/zinc/71/47/78/1002714778.db2.gz ACSBRABKAPMMBN-KOLCDFICSA-N -1 1 311.386 0.119 20 0 DCADMM COC[C@@H](NC(=O)[C@H](C)Oc1cccc(F)c1)c1nn[n-]n1 ZINC001471845927 1016669822 /nfs/dbraw/zinc/66/98/22/1016669822.db2.gz QNKFFILFZRVART-GZMMTYOYSA-N -1 1 309.301 0.610 20 0 DCADMM COCCN(CCNC(=O)c1ncccc1[O-])Cc1ccon1 ZINC001403956218 1002797961 /nfs/dbraw/zinc/79/79/61/1002797961.db2.gz MAYVZAGKEWFYEN-UHFFFAOYSA-N -1 1 320.349 0.654 20 0 DCADMM Cc1cc(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)cc(=O)[nH]1 ZINC001471853226 1016675068 /nfs/dbraw/zinc/67/50/68/1016675068.db2.gz HWUDFGBJCGWZOB-SNVBAGLBSA-N -1 1 302.338 0.704 20 0 DCADMM O=C(N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)C1=COCCC1 ZINC001420741973 1002901571 /nfs/dbraw/zinc/90/15/71/1002901571.db2.gz ZCYAHTFCCYYVLM-NSHDSACASA-N -1 1 307.354 0.189 20 0 DCADMM C[C@H](CC(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1)n1ccnc1 ZINC001425633981 1002913395 /nfs/dbraw/zinc/91/33/95/1002913395.db2.gz DFPMCUMKIGYONW-WDEREUQCSA-N -1 1 321.385 0.295 20 0 DCADMM CCOCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001405993956 1003246711 /nfs/dbraw/zinc/24/67/11/1003246711.db2.gz DSXSUQUGLLLFPJ-QWRGUYRKSA-N -1 1 311.386 0.264 20 0 DCADMM CCOCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001405993929 1003247023 /nfs/dbraw/zinc/24/70/23/1003247023.db2.gz DSXSUQUGLLLFPJ-MNOVXSKESA-N -1 1 311.386 0.264 20 0 DCADMM CC(C)[C@@H](C)C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001421224702 1003461577 /nfs/dbraw/zinc/46/15/77/1003461577.db2.gz TXEUZKMCFPZUIJ-IAQYHMDHSA-N -1 1 309.414 0.481 20 0 DCADMM O=C(NC[C@H](O)CNCc1n[nH]c(=O)[n-]1)[C@H]1CCCC2(CC2)C1 ZINC001406212788 1003483211 /nfs/dbraw/zinc/48/32/11/1003483211.db2.gz LBIJFKHMPYLKEC-WDEREUQCSA-N -1 1 323.397 0.047 20 0 DCADMM O=C(NCCc1ccoc1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001427997288 1003650285 /nfs/dbraw/zinc/65/02/85/1003650285.db2.gz YPOSKZRYDBEADG-UHFFFAOYSA-N -1 1 318.333 0.890 20 0 DCADMM CO[C@@H](C)CC(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001505978011 1016808473 /nfs/dbraw/zinc/80/84/73/1016808473.db2.gz UWJNUOQPZLTHML-JTQLQIEISA-N -1 1 307.350 0.591 20 0 DCADMM 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DCADMM CC[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1ncccc1[O-] ZINC001432719172 1012804157 /nfs/dbraw/zinc/80/41/57/1012804157.db2.gz UUWQAKGKPYECQH-USBNGQNGSA-N -1 1 319.361 0.448 20 0 DCADMM CCn1nnnc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC001460042193 1012847792 /nfs/dbraw/zinc/84/77/92/1012847792.db2.gz HQBOQBPJJCSPSO-UHFFFAOYSA-N -1 1 323.382 0.790 20 0 DCADMM COC[C@@H](C)CC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001429869656 1012890120 /nfs/dbraw/zinc/89/01/20/1012890120.db2.gz OZPAFDGAVXEWQL-NWDGAFQWSA-N -1 1 321.377 0.791 20 0 DCADMM Cc1ccc(N2C[C@@H](C(=O)N(C)c3nn[n-]n3)CC2=O)cc1C ZINC001461560212 1013030601 /nfs/dbraw/zinc/03/06/01/1013030601.db2.gz TVHQMSPJVFGPRR-NSHDSACASA-N -1 1 314.349 0.832 20 0 DCADMM Cc1nc(CS(=O)(=O)[N-][C@@H](C)[C@H](O)C(F)(F)F)no1 ZINC001475566188 1017119522 /nfs/dbraw/zinc/11/95/22/1017119522.db2.gz AGEGFGTXWVKNKJ-FFWSUHOLSA-N -1 1 303.262 0.109 20 0 DCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CC)C[C@H](C)O ZINC001475604787 1017126046 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324.348 0.843 20 0 DCADMM CN1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CCC1=O ZINC000736847807 598971353 /nfs/dbraw/zinc/97/13/53/598971353.db2.gz WWBXCYCORUGMSH-VIFPVBQESA-N -1 1 324.348 0.843 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC000736327865 598981126 /nfs/dbraw/zinc/98/11/26/598981126.db2.gz GMMHKJGDOUYGMD-GZMMTYOYSA-N -1 1 318.337 0.579 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC000736327865 598981129 /nfs/dbraw/zinc/98/11/29/598981129.db2.gz GMMHKJGDOUYGMD-GZMMTYOYSA-N -1 1 318.337 0.579 20 0 DCADMM CC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC000736316361 598999775 /nfs/dbraw/zinc/99/97/75/598999775.db2.gz WITWBDOJUIIMPR-CYBMUJFWSA-N -1 1 304.310 0.333 20 0 DCADMM CC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC000736316361 598999777 /nfs/dbraw/zinc/99/97/77/598999777.db2.gz WITWBDOJUIIMPR-CYBMUJFWSA-N -1 1 304.310 0.333 20 0 DCADMM C[C@@H]1C[C@H](C)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736224811 599007927 /nfs/dbraw/zinc/00/79/27/599007927.db2.gz BCAMAJQSLJDEPI-DTWKUNHWSA-N -1 1 308.367 0.681 20 0 DCADMM C[C@@H]1C[C@H](C)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736224811 599007929 /nfs/dbraw/zinc/00/79/29/599007929.db2.gz BCAMAJQSLJDEPI-DTWKUNHWSA-N -1 1 308.367 0.681 20 0 DCADMM CCN(Cc1cnn(C)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736556155 599025239 /nfs/dbraw/zinc/02/52/39/599025239.db2.gz NPULCCIKMLSKNT-UHFFFAOYSA-N -1 1 312.337 0.658 20 0 DCADMM CCN(Cc1cnn(C)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736556155 599025241 /nfs/dbraw/zinc/02/52/41/599025241.db2.gz NPULCCIKMLSKNT-UHFFFAOYSA-N -1 1 312.337 0.658 20 0 DCADMM Cn1cc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000737605342 599030364 /nfs/dbraw/zinc/03/03/64/599030364.db2.gz NIHJEOJUIJJXHX-CYBMUJFWSA-N -1 1 324.348 0.973 20 0 DCADMM Cn1cc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000737605342 599030365 /nfs/dbraw/zinc/03/03/65/599030365.db2.gz NIHJEOJUIJJXHX-CYBMUJFWSA-N -1 1 324.348 0.973 20 0 DCADMM Cc1noc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737537794 599139747 /nfs/dbraw/zinc/13/97/47/599139747.db2.gz LCYQNTFXMZXRPG-LURJTMIESA-N -1 1 301.266 0.871 20 0 DCADMM Cc1noc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000737537794 599139748 /nfs/dbraw/zinc/13/97/48/599139748.db2.gz LCYQNTFXMZXRPG-LURJTMIESA-N -1 1 301.266 0.871 20 0 DCADMM CN(C)C(=O)c1cccc(NC(=O)CN(C)CCC(=O)[O-])c1 ZINC000818462930 596996798 /nfs/dbraw/zinc/99/67/98/596996798.db2.gz CCNLTCAJHVXMJL-UHFFFAOYSA-N -1 1 307.350 0.733 20 0 DCADMM C[C@]1(C2CC2)NC(=O)N(CN2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000818080541 597044163 /nfs/dbraw/zinc/04/41/63/597044163.db2.gz QDJWHDOAJVRPER-MEBBXXQBSA-N -1 1 309.366 0.851 20 0 DCADMM NC(=O)c1n[nH]c2ccc(NC(=O)CSCC(=O)[O-])cc21 ZINC000821357280 597454978 /nfs/dbraw/zinc/45/49/78/597454978.db2.gz NNOKOQDWOFJYBD-UHFFFAOYSA-N -1 1 308.319 0.418 20 0 DCADMM C[C@@H]1CN(CCCNC(=O)N2CC[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000818112373 597507158 /nfs/dbraw/zinc/50/71/58/597507158.db2.gz BQHLQQMJZTWWOI-UPJWGTAASA-N -1 1 313.398 0.602 20 0 DCADMM CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000818491070 597536023 /nfs/dbraw/zinc/53/60/23/597536023.db2.gz XXQWTNJIUGWNTE-ZYHUDNBSSA-N -1 1 319.361 0.780 20 0 DCADMM CC(=O)NCCN(Cc1ccc(C(=O)N(C)C)[nH]1)[C@H](C)C(=O)[O-] ZINC000819769879 597704782 /nfs/dbraw/zinc/70/47/82/597704782.db2.gz CFOIUFFULJKLQY-SNVBAGLBSA-N -1 1 324.381 0.128 20 0 DCADMM COC(=O)[C@@]1(NCC(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000820653832 597722215 /nfs/dbraw/zinc/72/22/15/597722215.db2.gz RSGKBZAIOAPHDB-MRXNPFEDSA-N -1 1 306.362 0.868 20 0 DCADMM C[C@H](C(=O)N1CCCC1)N1CCN(CCCCC(=O)[O-])CC1 ZINC000819882675 597787620 /nfs/dbraw/zinc/78/76/20/597787620.db2.gz CUYGFTWFEIIDNX-CQSZACIVSA-N -1 1 311.426 0.870 20 0 DCADMM CS(=O)(=O)CC1(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000821927394 607328697 /nfs/dbraw/zinc/32/86/97/607328697.db2.gz UXKXWCJFBYOXNM-UHFFFAOYSA-N -1 1 308.367 0.498 20 0 DCADMM CS(=O)(=O)CC1(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000821927394 607328698 /nfs/dbraw/zinc/32/86/98/607328698.db2.gz UXKXWCJFBYOXNM-UHFFFAOYSA-N -1 1 308.367 0.498 20 0 DCADMM C[C@H](CN1CCOCC1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820095893 598186076 /nfs/dbraw/zinc/18/60/76/598186076.db2.gz VLUPGDYESCERMN-GFCCVEGCSA-N -1 1 306.362 0.969 20 0 DCADMM O=S(=O)(NCc1ccsc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345426 598266078 /nfs/dbraw/zinc/26/60/78/598266078.db2.gz MCNIUXLZHSVHLR-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM O=S(=O)(NCc1ccsc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345426 598266079 /nfs/dbraw/zinc/26/60/79/598266079.db2.gz MCNIUXLZHSVHLR-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM c1nn(C[C@@H]2CCCO2)cc1Nc1nccnc1-c1nnn[n-]1 ZINC000738445649 598346294 /nfs/dbraw/zinc/34/62/94/598346294.db2.gz KBIKKWQHTOPDDL-JTQLQIEISA-N -1 1 313.325 0.776 20 0 DCADMM c1nn(C[C@@H]2CCCO2)cc1Nc1nccnc1-c1nn[n-]n1 ZINC000738445649 598346296 /nfs/dbraw/zinc/34/62/96/598346296.db2.gz KBIKKWQHTOPDDL-JTQLQIEISA-N -1 1 313.325 0.776 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC000737606441 598351474 /nfs/dbraw/zinc/35/14/74/598351474.db2.gz RLBODYJERYJWAE-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC000737606441 598351476 /nfs/dbraw/zinc/35/14/76/598351476.db2.gz RLBODYJERYJWAE-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM COc1ccnc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)c1 ZINC000737159747 598392624 /nfs/dbraw/zinc/39/26/24/598392624.db2.gz PBKJZKWLAXAMHY-UHFFFAOYSA-N -1 1 313.321 0.492 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)NC2CCC2)cc1-c1nn[n-]n1 ZINC000737185806 598431874 /nfs/dbraw/zinc/43/18/74/598431874.db2.gz CTZBLSFIVWXZMB-UHFFFAOYSA-N -1 1 306.351 0.972 20 0 DCADMM CCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736483477 598502070 /nfs/dbraw/zinc/50/20/70/598502070.db2.gz KINJNXQOXJIBTI-UHFFFAOYSA-N -1 1 312.333 0.708 20 0 DCADMM C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000736254351 598677376 /nfs/dbraw/zinc/67/73/76/598677376.db2.gz 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/nfs/dbraw/zinc/75/28/92/599752892.db2.gz JLCBZXBMQPWHNC-MRXNPFEDSA-N -1 1 320.393 0.817 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000170584773 599777491 /nfs/dbraw/zinc/77/74/91/599777491.db2.gz OKOBBXJORICYDM-GWCFXTLKSA-N -1 1 317.301 0.362 20 0 DCADMM CN(CCN1CCCC1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000063052040 599778570 /nfs/dbraw/zinc/77/85/70/599778570.db2.gz ANOIKVPZWFKXAX-UHFFFAOYSA-N -1 1 302.352 0.694 20 0 DCADMM CN(CCCC(=O)N[C@H](c1nn[nH]n1)c1ccccc1)C(=O)[O-] ZINC000737423038 599809031 /nfs/dbraw/zinc/80/90/31/599809031.db2.gz RMHCWVTWAILBED-LBPRGKRZSA-N -1 1 318.337 0.795 20 0 DCADMM O=C([O-])C1CCN(C(=O)CN2CCC[C@H]2Cn2cncn2)CC1 ZINC000738545634 599918923 /nfs/dbraw/zinc/91/89/23/599918923.db2.gz YULWFQINPFZOQC-ZDUSSCGKSA-N -1 1 321.381 0.066 20 0 DCADMM Cc1cc(C)n(C[C@H]2CCCCN2CC(=O)NCCC(=O)[O-])n1 ZINC000738370715 599919297 /nfs/dbraw/zinc/91/92/97/599919297.db2.gz SPWGHAKHUXCEMR-CQSZACIVSA-N -1 1 322.409 0.945 20 0 DCADMM CCOC[C@H](O)CN1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000737161669 599919786 /nfs/dbraw/zinc/91/97/86/599919786.db2.gz IOFGXNLQPKREJP-MRXNPFEDSA-N -1 1 322.405 0.900 20 0 DCADMM CC(C)(C)CN(CCO)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000736260408 600111128 /nfs/dbraw/zinc/11/11/28/600111128.db2.gz CLFKDUMXEDHBAU-UHFFFAOYSA-N -1 1 300.399 0.650 20 0 DCADMM CN1CCN(c2cc(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])ccn2)CC1 ZINC000737528581 600111151 /nfs/dbraw/zinc/11/11/51/600111151.db2.gz JHXAQVJWFAPMCS-CHWSQXEVSA-N -1 1 318.377 0.170 20 0 DCADMM C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736214418 600141510 /nfs/dbraw/zinc/14/15/10/600141510.db2.gz GFWKJXDQAVPBCH-CMPLNLGQSA-N -1 1 319.361 0.909 20 0 DCADMM CN(CC(=O)[O-])C(=O)CCN1CCN(c2ccccc2O)CC1 ZINC000737401181 600158275 /nfs/dbraw/zinc/15/82/75/600158275.db2.gz LRPMPZFBAMWMDI-UHFFFAOYSA-N -1 1 321.377 0.447 20 0 DCADMM O=C([O-])c1cccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)c1 ZINC000740214068 600165121 /nfs/dbraw/zinc/16/51/21/600165121.db2.gz 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SORQWMYJZZPPPS-VIFPVBQESA-N -1 1 304.358 0.495 20 0 DCADMM Cc1nc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cs1 ZINC000822427541 607215411 /nfs/dbraw/zinc/21/54/11/607215411.db2.gz PDWAKXXRFPXEFJ-ZCFIWIBFSA-N -1 1 319.354 0.101 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CCc2ccccc21 ZINC000823127327 607216218 /nfs/dbraw/zinc/21/62/18/607216218.db2.gz ZZFRDHQWTMKLOS-NSHDSACASA-N -1 1 324.348 0.304 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC2(CCCC2)CC1 ZINC000823123154 607219107 /nfs/dbraw/zinc/21/91/07/607219107.db2.gz PPSOGCWYRPMVBU-UHFFFAOYSA-N -1 1 316.369 0.641 20 0 DCADMM CC1(C)CCCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820597231 607222965 /nfs/dbraw/zinc/22/29/65/607222965.db2.gz ZXWSRWSSDCZPQN-VIFPVBQESA-N -1 1 304.358 0.543 20 0 DCADMM CCC[C@@H](C)[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821014503 607225065 /nfs/dbraw/zinc/22/50/65/607225065.db2.gz IBKMVCYESMJPMK-GHMZBOCLSA-N -1 1 318.385 0.885 20 0 DCADMM Cc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1O ZINC000822323256 607234417 /nfs/dbraw/zinc/23/44/17/607234417.db2.gz BKZWUGQQNNJWGX-UHFFFAOYSA-N -1 1 300.282 0.111 20 0 DCADMM Cc1ncc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(N)n1 ZINC000822467263 607234650 /nfs/dbraw/zinc/23/46/50/607234650.db2.gz KOPNXCLYSZHRDV-UHFFFAOYSA-N -1 1 312.293 0.505 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2cccc(F)c21 ZINC000823126002 607235152 /nfs/dbraw/zinc/23/51/52/607235152.db2.gz FAOGJMKOUFXZOF-UHFFFAOYSA-N -1 1 314.284 0.187 20 0 DCADMM Clc1nsc(N2CCn3cnnc3C2)c1-c1nnn[n-]1 ZINC000826353950 607819622 /nfs/dbraw/zinc/81/96/22/607819622.db2.gz KMDRGUYGPIRFKQ-UHFFFAOYSA-N -1 1 309.746 0.588 20 0 DCADMM Clc1nsc(N2CCn3cnnc3C2)c1-c1nn[n-]n1 ZINC000826353950 607819623 /nfs/dbraw/zinc/81/96/23/607819623.db2.gz KMDRGUYGPIRFKQ-UHFFFAOYSA-N -1 1 309.746 0.588 20 0 DCADMM CCOCCNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825598820 607864341 /nfs/dbraw/zinc/86/43/41/607864341.db2.gz CKEDLSPEASFJPP-UHFFFAOYSA-N -1 1 309.301 0.537 20 0 DCADMM CCOCCNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825598820 607864342 /nfs/dbraw/zinc/86/43/42/607864342.db2.gz CKEDLSPEASFJPP-UHFFFAOYSA-N -1 1 309.301 0.537 20 0 DCADMM COCCCS(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826157538 607866871 /nfs/dbraw/zinc/86/68/71/607866871.db2.gz ZQQSMYDUJCXZBZ-UHFFFAOYSA-N -1 1 316.314 0.751 20 0 DCADMM COCCCS(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826157538 607866872 /nfs/dbraw/zinc/86/68/72/607866872.db2.gz ZQQSMYDUJCXZBZ-UHFFFAOYSA-N -1 1 316.314 0.751 20 0 DCADMM COC[C@H](C)S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826149314 607867280 /nfs/dbraw/zinc/86/72/80/607867280.db2.gz FHYMFADLGHVQQL-ZETCQYMHSA-N -1 1 316.314 0.749 20 0 DCADMM COC[C@H](C)S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826149314 607867281 /nfs/dbraw/zinc/86/72/81/607867281.db2.gz FHYMFADLGHVQQL-ZETCQYMHSA-N -1 1 316.314 0.749 20 0 DCADMM c1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nc1 ZINC000826521370 607988784 /nfs/dbraw/zinc/98/87/84/607988784.db2.gz JUHQJSVPEPEIQO-UHFFFAOYSA-N -1 1 323.364 0.374 20 0 DCADMM O=C(CCNc1ccc(-c2nnn[n-]2)nn1)NC1CCCCC1 ZINC000826408064 607989924 /nfs/dbraw/zinc/98/99/24/607989924.db2.gz OHVMJAJKQFGHIL-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM O=C(CCNc1ccc(-c2nn[n-]n2)nn1)NC1CCCCC1 ZINC000826408064 607989925 /nfs/dbraw/zinc/98/99/25/607989925.db2.gz OHVMJAJKQFGHIL-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM C[C@H](CO)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824441343 607999740 /nfs/dbraw/zinc/99/97/40/607999740.db2.gz OTRYHAZLVYMWNQ-SSDOTTSWSA-N -1 1 315.330 0.007 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCc2sccc2C1 ZINC000826425063 608013087 /nfs/dbraw/zinc/01/30/87/608013087.db2.gz OJFBKYSWBNYHKM-UHFFFAOYSA-N -1 1 315.362 0.710 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCc2sccc2C1 ZINC000826425063 608013088 /nfs/dbraw/zinc/01/30/88/608013088.db2.gz OJFBKYSWBNYHKM-UHFFFAOYSA-N -1 1 315.362 0.710 20 0 DCADMM Cc1ccccc1CCNC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826307168 608013691 /nfs/dbraw/zinc/01/36/91/608013691.db2.gz YCYUVBYLANICKD-UHFFFAOYSA-N -1 1 311.349 0.731 20 0 DCADMM Cc1ccccc1CCNC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826307168 608013692 /nfs/dbraw/zinc/01/36/92/608013692.db2.gz YCYUVBYLANICKD-UHFFFAOYSA-N -1 1 311.349 0.731 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H](O)c1cccnc1 ZINC000826451240 608204949 /nfs/dbraw/zinc/20/49/49/608204949.db2.gz WZBDVLXUNANYRL-LBPRGKRZSA-N -1 1 312.289 0.639 20 0 DCADMM Cn1c2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2n(C)c1=O ZINC000826354438 608408490 /nfs/dbraw/zinc/40/84/90/608408490.db2.gz DCWQXUDPDWMBOZ-UHFFFAOYSA-N -1 1 323.320 0.591 20 0 DCADMM Cn1c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2n(C)c1=O ZINC000826354438 608408492 /nfs/dbraw/zinc/40/84/92/608408492.db2.gz DCWQXUDPDWMBOZ-UHFFFAOYSA-N -1 1 323.320 0.591 20 0 DCADMM COCCCOC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826156550 608423115 /nfs/dbraw/zinc/42/31/15/608423115.db2.gz JGRUMRIHTLGKEC-UHFFFAOYSA-N -1 1 319.369 0.679 20 0 DCADMM COCCCOC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826156550 608423120 /nfs/dbraw/zinc/42/31/20/608423120.db2.gz JGRUMRIHTLGKEC-UHFFFAOYSA-N -1 1 319.369 0.679 20 0 DCADMM O=C(NCCCNc1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC000826437165 608429643 /nfs/dbraw/zinc/42/96/43/608429643.db2.gz YZUZOORRSDXEHF-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(NCCCNc1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC000826437165 608429644 /nfs/dbraw/zinc/42/96/44/608429644.db2.gz YZUZOORRSDXEHF-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1NCCc1cnc(C2CC2)nc1 ZINC000826526830 608438144 /nfs/dbraw/zinc/43/81/44/608438144.db2.gz NZHFJZHERXGZFV-UHFFFAOYSA-N -1 1 309.337 0.979 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1NCCc1cnc(C2CC2)nc1 ZINC000826526830 608438145 /nfs/dbraw/zinc/43/81/45/608438145.db2.gz NZHFJZHERXGZFV-UHFFFAOYSA-N -1 1 309.337 0.979 20 0 DCADMM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCN1CC(F)F ZINC000825213092 608440347 /nfs/dbraw/zinc/44/03/47/608440347.db2.gz VKYJMMONYIIRHU-SECBINFHSA-N -1 1 324.339 0.822 20 0 DCADMM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCN1CC(F)F ZINC000825213092 608440348 /nfs/dbraw/zinc/44/03/48/608440348.db2.gz VKYJMMONYIIRHU-SECBINFHSA-N 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/nfs/dbraw/zinc/47/23/77/609472377.db2.gz UZBNHLVTZVFUBA-CBAPKCEASA-N -1 1 308.317 0.912 20 0 DCADMM C[C@H](C[S@](C)=O)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824449755 609597763 /nfs/dbraw/zinc/59/77/63/609597763.db2.gz PHSHORCZYRXPDA-PJLCYMMNSA-N -1 1 317.378 0.989 20 0 DCADMM C[C@H](C[S@](C)=O)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824449755 609597766 /nfs/dbraw/zinc/59/77/66/609597766.db2.gz PHSHORCZYRXPDA-PJLCYMMNSA-N -1 1 317.378 0.989 20 0 DCADMM CN(CCF)[C@@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001027606529 660514261 /nfs/dbraw/zinc/51/42/61/660514261.db2.gz HBSXPFMLYMZWIP-LLVKDONJSA-N -1 1 321.356 0.529 20 0 DCADMM COCCN(CC(C)C)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909398290 660599368 /nfs/dbraw/zinc/59/93/68/660599368.db2.gz CHHBFWBBHZWROP-ZDUSSCGKSA-N -1 1 300.399 0.914 20 0 DCADMM CNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1O ZINC001027761850 660703449 /nfs/dbraw/zinc/70/34/49/660703449.db2.gz SQVCNYBHKQJVBI-RYUDHWBXSA-N -1 1 305.378 0.721 20 0 DCADMM 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RRGXPRNHCJVKQG-GFCCVEGCSA-N -1 1 304.412 0.486 20 0 DCADMM CS(C)(=O)=NS(=O)(=O)[N-]CC1(CF)CCOCC1 ZINC000867350935 672169329 /nfs/dbraw/zinc/16/93/29/672169329.db2.gz VNNIMAJKXGIKPM-UHFFFAOYSA-N -1 1 302.393 0.315 20 0 DCADMM CCn1cc([C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)CC)cn1 ZINC000867363865 672193442 /nfs/dbraw/zinc/19/34/42/672193442.db2.gz BEPQKQUSBMVHBT-NIVTXAMTSA-N -1 1 308.429 0.916 20 0 DCADMM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000867379563 672221018 /nfs/dbraw/zinc/22/10/18/672221018.db2.gz RCDGTTLWTWSTOA-CKXPSTMWSA-N -1 1 313.375 0.809 20 0 DCADMM C[C@@H](CN(C)C(=O)/C=C\COC1CCOCC1)c1nn[n-]n1 ZINC000867382680 672239303 /nfs/dbraw/zinc/23/93/03/672239303.db2.gz XOEDDZHFLBIOHH-BYCRGOAPSA-N -1 1 309.370 0.513 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@]2(OC)CCOC2)o1 ZINC000845787641 672273980 /nfs/dbraw/zinc/27/39/80/672273980.db2.gz ZEFZPOGQSCDUEY-LBPRGKRZSA-N -1 1 319.335 0.150 20 0 DCADMM CC[C@@H]1COC(C)(C)CN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000846369593 672310339 /nfs/dbraw/zinc/31/03/39/672310339.db2.gz IUAACJQKROOLKD-LLVKDONJSA-N -1 1 309.366 0.343 20 0 DCADMM CC[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H](CC)CO1 ZINC000846377075 672310747 /nfs/dbraw/zinc/31/07/47/672310747.db2.gz YGUYMRSNKQCTJB-VXGBXAGGSA-N -1 1 309.366 0.343 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-]CCN2CC=CCC2)c1Cl ZINC000392825867 685263783 /nfs/dbraw/zinc/26/37/83/685263783.db2.gz WLXUMMSWBCIRGL-UHFFFAOYSA-N -1 1 304.803 0.614 20 0 DCADMM COCC(=O)N1CC[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C1 ZINC000953228593 685641668 /nfs/dbraw/zinc/64/16/68/685641668.db2.gz NASHXWYPVXVMJL-NEPJUHHUSA-N -1 1 319.361 0.497 20 0 DCADMM CN(C(=O)[C@H]1CCCOC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000953867969 685879843 /nfs/dbraw/zinc/87/98/43/685879843.db2.gz RBWRHIAKUGVKMT-NSHDSACASA-N -1 1 319.361 0.497 20 0 DCADMM CN(C(=O)c1ncccc1[O-])C1CN(C(=O)c2cocn2)C1 ZINC000954123871 685948846 /nfs/dbraw/zinc/94/88/46/685948846.db2.gz BTHFIRHCCAIGOP-UHFFFAOYSA-N -1 1 302.290 0.372 20 0 DCADMM Cc1nc(C(=O)N2CC(N(C)C(=O)c3ncccc3[O-])C2)co1 ZINC000954124446 685949371 /nfs/dbraw/zinc/94/93/71/685949371.db2.gz ZVMOJHWEWZZAFT-UHFFFAOYSA-N -1 1 316.317 0.680 20 0 DCADMM CN(C(=O)c1ncccc1[O-])C1CN(C(=O)[C@]2(C)CCOC2)C1 ZINC000954125535 685949638 /nfs/dbraw/zinc/94/96/38/685949638.db2.gz RTDKXNPHBOXJOD-MRXNPFEDSA-N -1 1 319.361 0.497 20 0 DCADMM Cc1ccc(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)o1 ZINC001038028979 693992894 /nfs/dbraw/zinc/99/28/94/693992894.db2.gz DQOGGVGNMFKAAA-JTQLQIEISA-N -1 1 305.338 0.014 20 0 DCADMM O=C(NC[C@@H]1CCCN1C(=O)c1ncccc1[O-])c1cocn1 ZINC000955980037 686582868 /nfs/dbraw/zinc/58/28/68/686582868.db2.gz XNMTYIOZUYYCEV-JTQLQIEISA-N -1 1 316.317 0.810 20 0 DCADMM CC(C)[C@@H](O)C(=O)N1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC000956849619 686881937 /nfs/dbraw/zinc/88/19/37/686881937.db2.gz VQBPQBGWDLZOPI-CZUORRHYSA-N -1 1 321.377 0.525 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2CCC2(C)C)nc1=O ZINC001038614278 694131156 /nfs/dbraw/zinc/13/11/56/694131156.db2.gz JCUIVUFAIIMIOA-WDEREUQCSA-N -1 1 307.398 0.235 20 0 DCADMM Cc1cc[nH]c1C(=O)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000959984224 688274500 /nfs/dbraw/zinc/27/45/00/688274500.db2.gz BEGGRNSEFYCVJM-NSHDSACASA-N -1 1 318.381 0.931 20 0 DCADMM O=C([C@H]1CC12CC2)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000960148442 688310799 /nfs/dbraw/zinc/31/07/99/688310799.db2.gz VKAMEYHQBIMAIB-WDEREUQCSA-N -1 1 305.382 0.781 20 0 DCADMM Cc1nc[nH]c1C(=O)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000960231886 688330209 /nfs/dbraw/zinc/33/02/09/688330209.db2.gz AHOGUHGOHJHNIH-JTQLQIEISA-N -1 1 319.369 0.326 20 0 DCADMM CCC(CC)C(=O)N1CCC[C@H]1CN(C)Cc1nc(=O)n(C)[n-]1 ZINC000960419038 688371736 /nfs/dbraw/zinc/37/17/36/688371736.db2.gz IZRFXLOTCXTNDW-ZDUSSCGKSA-N -1 1 323.441 0.967 20 0 DCADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC000962317457 688881830 /nfs/dbraw/zinc/88/18/30/688881830.db2.gz CBJKCXZYKDBVQT-FOGDFJRCSA-N -1 1 319.361 0.135 20 0 DCADMM CC[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000964159283 689173800 /nfs/dbraw/zinc/17/38/00/689173800.db2.gz RFISPOABXMGFGK-NEPJUHHUSA-N -1 1 321.377 0.791 20 0 DCADMM CC(C)C(=O)N1CCOC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000964160592 689174423 /nfs/dbraw/zinc/17/44/23/689174423.db2.gz VTUQZSOAZCQIFP-LLVKDONJSA-N -1 1 307.350 0.400 20 0 DCADMM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CC1CC1 ZINC000964629459 689273696 /nfs/dbraw/zinc/27/36/96/689273696.db2.gz ZQJHNZIVRRGZKU-ZYHUDNBSSA-N -1 1 307.398 0.235 20 0 DCADMM CCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1ncccc1[O-])O2 ZINC000965538535 689472381 /nfs/dbraw/zinc/47/23/81/689472381.db2.gz SAQATGVWDQOGMS-NSHDSACASA-N -1 1 319.361 0.687 20 0 DCADMM O=C(c1ncccc1[O-])N1CC[C@@H](NCc2cnsn2)C1 ZINC000968478042 690287156 /nfs/dbraw/zinc/28/71/56/690287156.db2.gz BASMAGZIIWQVRN-SECBINFHSA-N -1 1 305.363 0.643 20 0 DCADMM O=C(c1[nH]ccc1C1CC1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000968879084 690412949 /nfs/dbraw/zinc/41/29/49/690412949.db2.gz HXLINQQJRIAMCZ-SNVBAGLBSA-N -1 1 316.365 0.720 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H](NC(=O)C3(C)CCC3)C2)nc1=O ZINC001008195869 690818636 /nfs/dbraw/zinc/81/86/36/690818636.db2.gz FYPMLDLNWCHZKW-NSHDSACASA-N -1 1 307.398 0.379 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001009376983 691032638 /nfs/dbraw/zinc/03/26/38/691032638.db2.gz FLEBHYMFOLSIIY-PJSNJIKXSA-N -1 1 315.373 0.877 20 0 DCADMM Cc1ccoc1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001010198827 691186464 /nfs/dbraw/zinc/18/64/64/691186464.db2.gz XQTHVHPYZMEMHN-JTQLQIEISA-N -1 1 305.338 0.014 20 0 DCADMM Cc1nonc1CN1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001010724301 691362000 /nfs/dbraw/zinc/36/20/00/691362000.db2.gz CTYYAEUBIVMCKW-JTQLQIEISA-N -1 1 303.322 0.483 20 0 DCADMM Cn1nccc1CN1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001010728057 691363690 /nfs/dbraw/zinc/36/36/90/691363690.db2.gz SVDNXJKPCXVYPN-LLVKDONJSA-N -1 1 301.350 0.525 20 0 DCADMM O=C(c1cnco1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001011035804 691444919 /nfs/dbraw/zinc/44/49/19/691444919.db2.gz HCTFRZBSZKFZQI-UHFFFAOYSA-N -1 1 302.290 0.373 20 0 DCADMM O=C(c1cc(F)c[nH]1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001011038023 691446077 /nfs/dbraw/zinc/44/60/77/691446077.db2.gz ZQWJJDKRNKBCPI-UHFFFAOYSA-N -1 1 318.308 0.853 20 0 DCADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc[nH]n1 ZINC001011524657 691559241 /nfs/dbraw/zinc/55/92/41/691559241.db2.gz OQDGHMIFFNKBFY-VHSXEESVSA-N -1 1 315.333 0.543 20 0 DCADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccn[nH]1 ZINC001011524657 691559244 /nfs/dbraw/zinc/55/92/44/691559244.db2.gz OQDGHMIFFNKBFY-VHSXEESVSA-N -1 1 315.333 0.543 20 0 DCADMM C[C@H]1[C@@H](NC(=O)c2cnco2)CCN1C(=O)c1ncccc1[O-] ZINC001011675111 691599123 /nfs/dbraw/zinc/59/91/23/691599123.db2.gz DHXFPANNIDTQFY-UWVGGRQHSA-N -1 1 316.317 0.808 20 0 DCADMM COCC(=O)N1CC[C@]2(NC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001014253402 691985795 /nfs/dbraw/zinc/98/57/95/691985795.db2.gz OOVYZKRTMKLOJS-MLGOLLRUSA-N -1 1 319.361 0.687 20 0 DCADMM Cc1coc(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1 ZINC001015578746 692349816 /nfs/dbraw/zinc/34/98/16/692349816.db2.gz UTKRLNIQUBTNDX-JTQLQIEISA-N -1 1 305.338 0.014 20 0 DCADMM CN(C(=O)[C@H]1CCCO1)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001016219948 692604017 /nfs/dbraw/zinc/60/40/17/692604017.db2.gz QUCCUERJXNLJEH-GCZXYKMCSA-N -1 1 319.361 0.685 20 0 DCADMM O=C(c1cc(F)ccc1F)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001018970318 693301774 /nfs/dbraw/zinc/30/17/74/693301774.db2.gz HIJDVSWUZQQOJV-VIFPVBQESA-N -1 1 323.303 0.793 20 0 DCADMM C[C@@H](C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1)C(C)(F)F ZINC001019395534 693460846 /nfs/dbraw/zinc/46/08/46/693460846.db2.gz DPPCDWSJVUFGKZ-YUMQZZPRSA-N -1 1 303.313 0.492 20 0 DCADMM CC(=O)N1CC[C@@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1 ZINC001019813839 693594811 /nfs/dbraw/zinc/59/48/11/693594811.db2.gz MFEXZNRZPWVDPX-AAEUAGOBSA-N -1 1 305.334 0.249 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)C[C@H]1CCCO1 ZINC001074545220 694906107 /nfs/dbraw/zinc/90/61/07/694906107.db2.gz WRPDTDPZDNCDFS-AXFHLTTASA-N -1 1 309.370 0.158 20 0 DCADMM CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001075714156 694970277 /nfs/dbraw/zinc/97/02/77/694970277.db2.gz CEANBYYHHIUDDY-WDEREUQCSA-N -1 1 309.366 0.837 20 0 DCADMM Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CCCN2C)c1[O-] ZINC001076165554 695002816 /nfs/dbraw/zinc/00/28/16/695002816.db2.gz GTOLYBYAHBTVKR-ONGXEEELSA-N -1 1 323.397 0.143 20 0 DCADMM O=C(c1cccn2nnnc12)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001625901722 1157952808 /nfs/dbraw/zinc/95/28/08/1157952808.db2.gz PRJAFSOBMHRKDV-MRVPVSSYSA-N -1 1 315.293 0.233 20 0 DCADMM COCCCC(=O)N1CC([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001571941322 1162977533 /nfs/dbraw/zinc/97/75/33/1162977533.db2.gz UCZQZASSXAVXIK-LLVKDONJSA-N -1 1 321.377 0.791 20 0 DCADMM Cc1cccc2c1[C@@H]([N-]S(=O)(=O)c1cnn(C)c1)C(=O)N2 ZINC001259829161 1159142454 /nfs/dbraw/zinc/14/24/54/1159142454.db2.gz TZQLGAFFTKRPAK-GFCCVEGCSA-N -1 1 306.347 0.700 20 0 DCADMM C[C@H](C(=O)OCC(=O)c1ccc([O-])cc1O)N1C(=O)CCC1=O ZINC001317945583 1159157200 /nfs/dbraw/zinc/15/72/00/1159157200.db2.gz TVWFGQPAPNURRH-MRVPVSSYSA-N -1 1 321.285 0.361 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccn2ccnc2c1 ZINC001445952832 1159322231 /nfs/dbraw/zinc/32/22/31/1159322231.db2.gz PREPSUWCAVVFEV-UHFFFAOYSA-N -1 1 315.289 0.474 20 0 DCADMM COC[C@@H](C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001446622082 1159489324 /nfs/dbraw/zinc/48/93/24/1159489324.db2.gz ARMRRVQCNZVXDX-VXGBXAGGSA-N -1 1 321.377 0.743 20 0 DCADMM Cn1[n-]c(C(=O)NC[C@@H](c2nc[nH]n2)c2ccccc2)cc1=O ZINC001556594917 1159856526 /nfs/dbraw/zinc/85/65/26/1159856526.db2.gz LWWTYHOBNFYMTA-LLVKDONJSA-N -1 1 312.333 0.806 20 0 DCADMM O=C(CCc1nn[n-]n1)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC001566497169 1160020730 /nfs/dbraw/zinc/02/07/30/1160020730.db2.gz LVIKRCRRMQCONB-LLVKDONJSA-N -1 1 314.349 0.333 20 0 DCADMM C[C@@H](CNC(=O)c1csc2cncn21)NCc1n[nH]c(=O)[n-]1 ZINC001567059648 1160226532 /nfs/dbraw/zinc/22/65/32/1160226532.db2.gz RDDVJZFTZCMPHB-ZETCQYMHSA-N -1 1 321.366 0.128 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001567581348 1160429245 /nfs/dbraw/zinc/42/92/45/1160429245.db2.gz FAWASVOIUCKHFP-VXGBXAGGSA-N -1 1 307.398 0.885 20 0 DCADMM CC[C@@H](CNC(=O)c1cc2occc2[nH]1)NCc1n[nH]c(=O)[n-]1 ZINC001567962712 1160550518 /nfs/dbraw/zinc/55/05/18/1160550518.db2.gz SGYSRSBVDLDSRL-QMMMGPOBSA-N -1 1 318.337 0.883 20 0 DCADMM CCC(CC)(NC(=O)c1cnn2cccnc12)c1nn[n-]n1 ZINC001568660764 1160727556 /nfs/dbraw/zinc/72/75/56/1160727556.db2.gz NGIJWBARZZPEHA-UHFFFAOYSA-N -1 1 300.326 0.688 20 0 DCADMM O=C(N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)c1ccnc(F)c1 ZINC001569295775 1161002633 /nfs/dbraw/zinc/00/26/33/1161002633.db2.gz GGYWMDHTQOLXRN-SNVBAGLBSA-N -1 1 320.328 0.343 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@]2(CCSC2)C1 ZINC001570303633 1161556484 /nfs/dbraw/zinc/55/64/84/1161556484.db2.gz CDPJONJERIQSGH-OAHLLOKOSA-N -1 1 323.418 0.672 20 0 DCADMM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CCc2nn[nH]n2)n1 ZINC001573724901 1163542483 /nfs/dbraw/zinc/54/24/83/1163542483.db2.gz UGCCKOUVAUYPAZ-MRVPVSSYSA-N -1 1 307.314 0.393 20 0 DCADMM CCc1[nH]c(C[NH2+]Cc2nc(C(=O)[O-])n[n-]2)cc1C(=O)OC ZINC001573825796 1163560873 /nfs/dbraw/zinc/56/08/73/1163560873.db2.gz HDGZSRRNCPLZNR-UHFFFAOYSA-N -1 1 307.310 0.470 20 0 DCADMM CCc1nc(CN2CCC(C(=O)[O-])([S@@](C)=O)CC2)n[nH]1 ZINC001573834679 1163563498 /nfs/dbraw/zinc/56/34/98/1163563498.db2.gz XCMAFJSIZUTTFX-HXUWFJFHSA-N -1 1 300.384 0.165 20 0 DCADMM CN(C)C(=O)c1cccc(C[NH2+]Cc2nc(C(=O)[O-])n[n-]2)c1 ZINC001573858640 1163569787 /nfs/dbraw/zinc/56/97/87/1163569787.db2.gz GAIZQCMUJWUOAQ-UHFFFAOYSA-N -1 1 303.322 0.495 20 0 DCADMM CN(CC(=O)N1CCC(C(=O)[O-])CC1)CC12CC(C)(C1)OC2 ZINC001573864447 1163572833 /nfs/dbraw/zinc/57/28/33/1163572833.db2.gz DCJHOEDPOVHHJQ-UHFFFAOYSA-N -1 1 310.394 0.811 20 0 DCADMM CN(CC(C)(C)S(C)(=O)=O)CC1(O)CCC(C(=O)[O-])CC1 ZINC001573870783 1163574465 /nfs/dbraw/zinc/57/44/65/1163574465.db2.gz SIWPUNRAXHYAGW-UHFFFAOYSA-N -1 1 321.439 0.747 20 0 DCADMM C[N@@H+](CCc1ccccc1)CC(=O)NCc1nc(C(=O)[O-])n[n-]1 ZINC001573873128 1163575732 /nfs/dbraw/zinc/57/57/32/1163575732.db2.gz WIFGTMLSNYCNKY-UHFFFAOYSA-N -1 1 317.349 0.294 20 0 DCADMM CN1CCC[C@H]1c1cc(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)[nH]n1 ZINC001573885587 1163576793 /nfs/dbraw/zinc/57/67/93/1163576793.db2.gz RKFHQVRODMEJNF-XXSPCDMZSA-N -1 1 318.377 0.969 20 0 DCADMM CC(C)(CNC(N)=O)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001573903087 1163581007 /nfs/dbraw/zinc/58/10/07/1163581007.db2.gz YOWKTHHCYIHUPL-UHFFFAOYSA-N -1 1 317.357 0.393 20 0 DCADMM CC(C)(CNC(N)=O)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001573903087 1163581013 /nfs/dbraw/zinc/58/10/13/1163581013.db2.gz YOWKTHHCYIHUPL-UHFFFAOYSA-N -1 1 317.357 0.393 20 0 DCADMM CC(C)(F)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573912901 1163583018 /nfs/dbraw/zinc/58/30/18/1163583018.db2.gz HUDXWIXCAGLPBM-QMMMGPOBSA-N -1 1 320.332 0.100 20 0 DCADMM CC(C)(F)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573912901 1163583020 /nfs/dbraw/zinc/58/30/20/1163583020.db2.gz HUDXWIXCAGLPBM-QMMMGPOBSA-N -1 1 320.332 0.100 20 0 DCADMM COC(=O)[C@H]1CC[N@@H+](Cc2cnc3c(C(=O)[O-])cnn3c2)[C@@H]1C ZINC001573914558 1163583749 /nfs/dbraw/zinc/58/37/49/1163583749.db2.gz MTVCJAXJOOJTRV-KOLCDFICSA-N -1 1 318.333 0.811 20 0 DCADMM COC(=O)[C@H]1CCN(Cc2cnc3c(C(=O)[O-])cnn3c2)[C@@H]1C ZINC001573914558 1163583752 /nfs/dbraw/zinc/58/37/52/1163583752.db2.gz MTVCJAXJOOJTRV-KOLCDFICSA-N -1 1 318.333 0.811 20 0 DCADMM COC(=O)c1nc[nH]c1NC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001573947302 1163595963 /nfs/dbraw/zinc/59/59/63/1163595963.db2.gz BVUHTFJZIIHKGP-UHFFFAOYSA-N -1 1 311.294 0.406 20 0 DCADMM CC(C)C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573950485 1163597535 /nfs/dbraw/zinc/59/75/35/1163597535.db2.gz QWYLVQPQMBTBAF-GXSJLCMTSA-N -1 1 316.369 0.572 20 0 DCADMM CC(C)C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573950485 1163597538 /nfs/dbraw/zinc/59/75/38/1163597538.db2.gz QWYLVQPQMBTBAF-GXSJLCMTSA-N -1 1 316.369 0.572 20 0 DCADMM CC(C)C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001573950886 1163598548 /nfs/dbraw/zinc/59/85/48/1163598548.db2.gz XHGQMSYLGWBYAW-UWVGGRQHSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001573950886 1163598553 /nfs/dbraw/zinc/59/85/53/1163598553.db2.gz XHGQMSYLGWBYAW-UWVGGRQHSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573953764 1163600320 /nfs/dbraw/zinc/60/03/20/1163600320.db2.gz KOHTUUYTLWFPEW-SNVBAGLBSA-N -1 1 316.369 0.138 20 0 DCADMM CC(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573958700 1163604576 /nfs/dbraw/zinc/60/45/76/1163604576.db2.gz LBXSHUOOLSVFEM-UWVGGRQHSA-N -1 1 314.353 0.102 20 0 DCADMM CC(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573958700 1163604582 /nfs/dbraw/zinc/60/45/82/1163604582.db2.gz LBXSHUOOLSVFEM-UWVGGRQHSA-N -1 1 314.353 0.102 20 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C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574619247 1163735930 /nfs/dbraw/zinc/73/59/30/1163735930.db2.gz MSMSHRWUGFDMPD-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574619247 1163735931 /nfs/dbraw/zinc/73/59/31/1163735931.db2.gz MSMSHRWUGFDMPD-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574619402 1163736529 /nfs/dbraw/zinc/73/65/29/1163736529.db2.gz MSMSHRWUGFDMPD-GUBZILKMSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574619402 1163736537 /nfs/dbraw/zinc/73/65/37/1163736537.db2.gz MSMSHRWUGFDMPD-GUBZILKMSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C)CC1 ZINC001574800200 1163754812 /nfs/dbraw/zinc/75/48/12/1163754812.db2.gz HOZRZNOTTFNEPA-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CCC1 ZINC001574810577 1163757781 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BMSKUVNJQHYHAS-QMMMGPOBSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1CC(C)C1 ZINC001575965106 1164196090 /nfs/dbraw/zinc/19/60/90/1164196090.db2.gz KHWWNKDIJLWVCN-HWOCKDDLSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1CC(C)C1 ZINC001575965106 1164196094 /nfs/dbraw/zinc/19/60/94/1164196094.db2.gz KHWWNKDIJLWVCN-HWOCKDDLSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576083455 1164236456 /nfs/dbraw/zinc/23/64/56/1164236456.db2.gz DGOVRPBNNCHWDQ-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576083455 1164236464 /nfs/dbraw/zinc/23/64/64/1164236464.db2.gz DGOVRPBNNCHWDQ-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576085482 1164236876 /nfs/dbraw/zinc/23/68/76/1164236876.db2.gz NZRRHRFLAMPCFH-KYXWUPHJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576085482 1164236885 /nfs/dbraw/zinc/23/68/85/1164236885.db2.gz NZRRHRFLAMPCFH-KYXWUPHJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576083454 1164237268 /nfs/dbraw/zinc/23/72/68/1164237268.db2.gz DGOVRPBNNCHWDQ-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576083454 1164237274 /nfs/dbraw/zinc/23/72/74/1164237274.db2.gz DGOVRPBNNCHWDQ-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C/C=C(\C)C(=O)N(CC)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576398126 1164323787 /nfs/dbraw/zinc/32/37/87/1164323787.db2.gz CRKPYWKGZSQPGD-ONNFQVAWSA-N -1 1 316.369 0.883 20 0 DCADMM C/C=C(\C)C(=O)N(CC)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576398126 1164323792 /nfs/dbraw/zinc/32/37/92/1164323792.db2.gz CRKPYWKGZSQPGD-ONNFQVAWSA-N -1 1 316.369 0.883 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576400665 1164325218 /nfs/dbraw/zinc/32/52/18/1164325218.db2.gz JFNBUJVCNVYFQT-IUNRCPQZSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576400665 1164325221 /nfs/dbraw/zinc/32/52/21/1164325221.db2.gz JFNBUJVCNVYFQT-IUNRCPQZSA-N -1 1 314.353 0.682 20 0 DCADMM CCC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001576407163 1164328655 /nfs/dbraw/zinc/32/86/55/1164328655.db2.gz NQESTFMZEVLBJX-SNVBAGLBSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001576407163 1164328664 /nfs/dbraw/zinc/32/86/64/1164328664.db2.gz NQESTFMZEVLBJX-SNVBAGLBSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576420106 1164337882 /nfs/dbraw/zinc/33/78/82/1164337882.db2.gz HVYVMBOHZSGDTE-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576420106 1164337889 /nfs/dbraw/zinc/33/78/89/1164337889.db2.gz HVYVMBOHZSGDTE-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001576425260 1164339762 /nfs/dbraw/zinc/33/97/62/1164339762.db2.gz HFTARIZHFGFKDC-UHFFFAOYSA-N -1 1 316.369 0.778 20 0 DCADMM CCC(=O)N1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001576425260 1164339770 /nfs/dbraw/zinc/33/97/70/1164339770.db2.gz HFTARIZHFGFKDC-UHFFFAOYSA-N -1 1 316.369 0.778 20 0 DCADMM CCC(=O)NCC[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576475701 1164357280 /nfs/dbraw/zinc/35/72/80/1164357280.db2.gz IEMATOFQRWBCFX-VIFPVBQESA-N -1 1 318.385 0.936 20 0 DCADMM CCC(=O)NCC[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576475701 1164357284 /nfs/dbraw/zinc/35/72/84/1164357284.db2.gz IEMATOFQRWBCFX-VIFPVBQESA-N -1 1 318.385 0.936 20 0 DCADMM CCC(=O)NCC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001576476012 1164358216 /nfs/dbraw/zinc/35/82/16/1164358216.db2.gz MCMUXTXQRFFZEU-SNVBAGLBSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576564561 1164393293 /nfs/dbraw/zinc/39/32/93/1164393293.db2.gz SJHNJDROPOWTQK-ZJUUUORDSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576564561 1164393305 /nfs/dbraw/zinc/39/33/05/1164393305.db2.gz SJHNJDROPOWTQK-ZJUUUORDSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576565874 1164395685 /nfs/dbraw/zinc/39/56/85/1164395685.db2.gz CSRKXMXGTZMGNF-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576565874 1164395691 /nfs/dbraw/zinc/39/56/91/1164395691.db2.gz CSRKXMXGTZMGNF-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576577291 1164402133 /nfs/dbraw/zinc/40/21/33/1164402133.db2.gz WCQXDAKQXWESPE-VHSXEESVSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576577291 1164402136 /nfs/dbraw/zinc/40/21/36/1164402136.db2.gz WCQXDAKQXWESPE-VHSXEESVSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)CC(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001576618680 1164416059 /nfs/dbraw/zinc/41/60/59/1164416059.db2.gz TTXZEBLJXOJHQE-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)CC(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001576618680 1164416074 /nfs/dbraw/zinc/41/60/74/1164416074.db2.gz TTXZEBLJXOJHQE-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576943509 1164547548 /nfs/dbraw/zinc/54/75/48/1164547548.db2.gz VHADPEYFPKGGKW-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576943509 1164547554 /nfs/dbraw/zinc/54/75/54/1164547554.db2.gz VHADPEYFPKGGKW-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576951523 1164553153 /nfs/dbraw/zinc/55/31/53/1164553153.db2.gz IAQDGDWJKGOVKJ-BDAKNGLRSA-N -1 1 322.348 0.133 20 0 DCADMM CCC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(C)=O)CC1 ZINC001577122821 1164609623 /nfs/dbraw/zinc/60/96/23/1164609623.db2.gz JEEKMFFTSTWWCQ-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CCC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(C)=O)CC1 ZINC001577122821 1164609627 /nfs/dbraw/zinc/60/96/27/1164609627.db2.gz JEEKMFFTSTWWCQ-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001577187988 1164627580 /nfs/dbraw/zinc/62/75/80/1164627580.db2.gz OSMJFVIKMWJIOV-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001577187988 1164627583 /nfs/dbraw/zinc/62/75/83/1164627583.db2.gz OSMJFVIKMWJIOV-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577190689 1164629439 /nfs/dbraw/zinc/62/94/39/1164629439.db2.gz KXCPGRZNIUFYGC-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577190689 1164629443 /nfs/dbraw/zinc/62/94/43/1164629443.db2.gz KXCPGRZNIUFYGC-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001577194340 1164629522 /nfs/dbraw/zinc/62/95/22/1164629522.db2.gz KHQSJZYLHOLHJE-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001577194340 1164629525 /nfs/dbraw/zinc/62/95/25/1164629525.db2.gz KHQSJZYLHOLHJE-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001577213520 1164636713 /nfs/dbraw/zinc/63/67/13/1164636713.db2.gz FPSGYLOOFFCBHZ-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001577213520 1164636714 /nfs/dbraw/zinc/63/67/14/1164636714.db2.gz FPSGYLOOFFCBHZ-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001577214099 1164638096 /nfs/dbraw/zinc/63/80/96/1164638096.db2.gz YIKNDUSBJFNMKQ-VIFPVBQESA-N -1 1 318.385 0.936 20 0 DCADMM CCCC(=O)NC[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001577214099 1164638099 /nfs/dbraw/zinc/63/80/99/1164638099.db2.gz YIKNDUSBJFNMKQ-VIFPVBQESA-N -1 1 318.385 0.936 20 0 DCADMM CCCC(=O)NCCN(CC)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001577218986 1164639449 /nfs/dbraw/zinc/63/94/49/1164639449.db2.gz RJFBWXRCFBDOPH-UHFFFAOYSA-N -1 1 318.385 0.708 20 0 DCADMM CCCC(=O)NCCN(CC)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001577218986 1164639452 /nfs/dbraw/zinc/63/94/52/1164639452.db2.gz RJFBWXRCFBDOPH-UHFFFAOYSA-N -1 1 318.385 0.708 20 0 DCADMM CCCC(=O)NCCN(CCC)c1cncc(-c2nnn[n-]2)n1 ZINC001577218920 1164639556 /nfs/dbraw/zinc/63/95/56/1164639556.db2.gz ORNZGFQJBFAMAD-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCC(=O)NCCN(CCC)c1cncc(-c2nn[n-]n2)n1 ZINC001577218920 1164639558 /nfs/dbraw/zinc/63/95/58/1164639558.db2.gz ORNZGFQJBFAMAD-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577218896 1164639958 /nfs/dbraw/zinc/63/99/58/1164639958.db2.gz NOWBJCAZZTUDBF-AOOOYVTPSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577218896 1164639961 /nfs/dbraw/zinc/63/99/61/1164639961.db2.gz NOWBJCAZZTUDBF-AOOOYVTPSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001577221576 1164641643 /nfs/dbraw/zinc/64/16/43/1164641643.db2.gz YEUAGKNCHIRUOM-MWLCHTKSSA-N -1 1 316.369 0.398 20 0 DCADMM CCCC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001577221576 1164641650 /nfs/dbraw/zinc/64/16/50/1164641650.db2.gz YEUAGKNCHIRUOM-MWLCHTKSSA-N -1 1 316.369 0.398 20 0 DCADMM CCCC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001577225346 1164641777 /nfs/dbraw/zinc/64/17/77/1164641777.db2.gz OZCFFLATKIJMIB-WOFXILAISA-N -1 1 314.353 0.008 20 0 DCADMM CCCC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001577225346 1164641782 /nfs/dbraw/zinc/64/17/82/1164641782.db2.gz OZCFFLATKIJMIB-WOFXILAISA-N -1 1 314.353 0.008 20 0 DCADMM CCCCC(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577407849 1164685847 /nfs/dbraw/zinc/68/58/47/1164685847.db2.gz CPPWFLKSKTWCLR-UWVGGRQHSA-N -1 1 318.385 0.574 20 0 DCADMM CCCCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001577417261 1164688024 /nfs/dbraw/zinc/68/80/24/1164688024.db2.gz PSZLWFYNKWNQHJ-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001577417261 1164688026 /nfs/dbraw/zinc/68/80/26/1164688026.db2.gz PSZLWFYNKWNQHJ-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001577421247 1164689815 /nfs/dbraw/zinc/68/98/15/1164689815.db2.gz HVELZDWPBZBLGK-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCCCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001577421247 1164689819 /nfs/dbraw/zinc/68/98/19/1164689819.db2.gz HVELZDWPBZBLGK-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCN(CCNC(=O)C1(C)CC1)c1nccnc1-c1nnn[n-]1 ZINC001577932181 1164848938 /nfs/dbraw/zinc/84/89/38/1164848938.db2.gz BZYSHJVNDNMFAL-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)C1(C)CC1)c1nccnc1-c1nn[n-]n1 ZINC001577932181 1164848940 /nfs/dbraw/zinc/84/89/40/1164848940.db2.gz BZYSHJVNDNMFAL-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@@H]1C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577941349 1164853443 /nfs/dbraw/zinc/85/34/43/1164853443.db2.gz KCHGGQREEDLVMR-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@H]1C)c1cncc(-c2nnn[n-]2)n1 ZINC001577942817 1164855553 /nfs/dbraw/zinc/85/55/53/1164855553.db2.gz ZWCHKEWQPARBAT-ZJUUUORDSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@H]1C)c1cncc(-c2nn[n-]n2)n1 ZINC001577942817 1164855556 /nfs/dbraw/zinc/85/55/56/1164855556.db2.gz ZWCHKEWQPARBAT-ZJUUUORDSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)CC1CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001577957462 1164863858 /nfs/dbraw/zinc/86/38/58/1164863858.db2.gz FXSZGPNWRCBPGV-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)CC1CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001577957462 1164863866 /nfs/dbraw/zinc/86/38/66/1164863866.db2.gz FXSZGPNWRCBPGV-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCc1c[nH]c(=O)c(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)c1 ZINC001578494489 1165034166 /nfs/dbraw/zinc/03/41/66/1165034166.db2.gz AIBUQHFNJFMAKQ-UHFFFAOYSA-N -1 1 314.309 0.814 20 0 DCADMM CCc1nc(NC[C@@H](NC(C)=O)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001578651253 1165080147 /nfs/dbraw/zinc/08/01/47/1165080147.db2.gz KAXAJLVLLBXGRQ-LLVKDONJSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(NC[C@@H](NC(C)=O)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001578651253 1165080153 /nfs/dbraw/zinc/08/01/53/1165080153.db2.gz KAXAJLVLLBXGRQ-LLVKDONJSA-N -1 1 316.369 0.546 20 0 DCADMM CCn1nc(C)c(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)n1 ZINC001578805073 1165122738 /nfs/dbraw/zinc/12/27/38/1165122738.db2.gz ALDZDFGRCVWBOI-UHFFFAOYSA-N -1 1 315.341 0.008 20 0 DCADMM CN(C)c1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC001578995858 1165182212 /nfs/dbraw/zinc/18/22/12/1165182212.db2.gz YQTVTMMXASUIJZ-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(C)c1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC001578995858 1165182215 /nfs/dbraw/zinc/18/22/15/1165182215.db2.gz YQTVTMMXASUIJZ-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(CCNC(=O)CCC1CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001579175153 1165230335 /nfs/dbraw/zinc/23/03/35/1165230335.db2.gz HAXRIZNRFJOGPJ-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)CCC1CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001579175153 1165230340 /nfs/dbraw/zinc/23/03/40/1165230340.db2.gz HAXRIZNRFJOGPJ-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)C1(C)CCC1 ZINC001579213513 1165240703 /nfs/dbraw/zinc/24/07/03/1165240703.db2.gz GADMDPYCTGJBJQ-UHFFFAOYSA-N -1 1 316.369 0.139 20 0 DCADMM CN1C(=O)Cc2cc(CNc3ccc(-c4nnn[n-]4)nn3)ccc21 ZINC001579308341 1165267112 /nfs/dbraw/zinc/26/71/12/1165267112.db2.gz NCKUXMMBTQOHDI-UHFFFAOYSA-N -1 1 322.332 0.788 20 0 DCADMM CN1C(=O)Cc2cc(CNc3ccc(-c4nn[n-]n4)nn3)ccc21 ZINC001579308341 1165267117 /nfs/dbraw/zinc/26/71/17/1165267117.db2.gz NCKUXMMBTQOHDI-UHFFFAOYSA-N -1 1 322.332 0.788 20 0 DCADMM CN1C(=O)c2ccccc2[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001579311345 1165269200 /nfs/dbraw/zinc/26/92/00/1165269200.db2.gz IAYHUUCSYNZEAB-NSHDSACASA-N -1 1 322.332 0.896 20 0 DCADMM CN1C(=O)c2ccccc2[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001579311345 1165269205 /nfs/dbraw/zinc/26/92/05/1165269205.db2.gz IAYHUUCSYNZEAB-NSHDSACASA-N -1 1 322.332 0.896 20 0 DCADMM CNc1ncccc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001579431503 1165307108 /nfs/dbraw/zinc/30/71/08/1165307108.db2.gz QRGHNFOFQQDGOL-UHFFFAOYSA-N -1 1 316.350 0.690 20 0 DCADMM CNc1ncccc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001579431503 1165307115 /nfs/dbraw/zinc/30/71/15/1165307115.db2.gz QRGHNFOFQQDGOL-UHFFFAOYSA-N -1 1 316.350 0.690 20 0 DCADMM CNc1nc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC001579431097 1165308503 /nfs/dbraw/zinc/30/85/03/1165308503.db2.gz ADBDLZVCEFNKAU-UHFFFAOYSA-N -1 1 316.350 0.690 20 0 DCADMM CNc1nc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC001579431097 1165308509 /nfs/dbraw/zinc/30/85/09/1165308509.db2.gz ADBDLZVCEFNKAU-UHFFFAOYSA-N -1 1 316.350 0.690 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)C1 ZINC001579467687 1165320308 /nfs/dbraw/zinc/32/03/08/1165320308.db2.gz CPMIUBIDECCFTM-JGVFFNPUSA-N -1 1 319.325 0.426 20 0 DCADMM COC(=O)c1ccc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)o1 ZINC001579482676 1165326758 /nfs/dbraw/zinc/32/67/58/1165326758.db2.gz NASKWFPZSHZEBW-UHFFFAOYSA-N -1 1 315.289 0.765 20 0 DCADMM COC(=O)c1nc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cs1 ZINC001579491518 1165331605 /nfs/dbraw/zinc/33/16/05/1165331605.db2.gz HXDFJUDSDQKYFV-UHFFFAOYSA-N -1 1 320.294 0.085 20 0 DCADMM COC(=O)c1coc(CNc2cc(-c3nnn[n-]3)nc(C)n2)c1 ZINC001579491914 1165331665 /nfs/dbraw/zinc/33/16/65/1165331665.db2.gz QZGGDBMVGOJNKI-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1coc(CNc2cc(-c3nn[n-]n3)nc(C)n2)c1 ZINC001579491914 1165331668 /nfs/dbraw/zinc/33/16/68/1165331668.db2.gz QZGGDBMVGOJNKI-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC1CCC(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC001579613214 1165359846 /nfs/dbraw/zinc/35/98/46/1165359846.db2.gz PBVRCMOPFNUQPQ-UHFFFAOYSA-N -1 1 320.353 0.779 20 0 DCADMM COC1CCC(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC001579613214 1165359858 /nfs/dbraw/zinc/35/98/58/1165359858.db2.gz PBVRCMOPFNUQPQ-UHFFFAOYSA-N -1 1 320.353 0.779 20 0 DCADMM COCc1ncc(CNc2cccc(-c3nnn[n-]3)n2)c(N)n1 ZINC001579841491 1165407566 /nfs/dbraw/zinc/40/75/66/1165407566.db2.gz XUJDOGWOLPROON-UHFFFAOYSA-N -1 1 313.325 0.392 20 0 DCADMM COCc1ncc(CNc2cccc(-c3nn[n-]n3)n2)c(N)n1 ZINC001579841491 1165407569 /nfs/dbraw/zinc/40/75/69/1165407569.db2.gz XUJDOGWOLPROON-UHFFFAOYSA-N -1 1 313.325 0.392 20 0 DCADMM COc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)ccc1-c1nn[nH]n1 ZINC001579913196 1165434410 /nfs/dbraw/zinc/43/44/10/1165434410.db2.gz IQTBUZCPDQAVLP-UHFFFAOYSA-N -1 1 315.293 0.865 20 0 DCADMM COc1cccc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001580065055 1165489115 /nfs/dbraw/zinc/48/91/15/1165489115.db2.gz WDWQBKPPNJLSOG-UHFFFAOYSA-N -1 1 313.321 0.790 20 0 DCADMM COc1cccc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001580065055 1165489121 /nfs/dbraw/zinc/48/91/21/1165489121.db2.gz WDWQBKPPNJLSOG-UHFFFAOYSA-N -1 1 313.321 0.790 20 0 DCADMM COc1ncc(NC(=O)CCc2cn[nH]c2)cc1-c1nn[n-]n1 ZINC001580133756 1165514212 /nfs/dbraw/zinc/51/42/12/1165514212.db2.gz XNOOWCDGOTYFCM-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC12CC2 ZINC001580293566 1165560805 /nfs/dbraw/zinc/56/08/05/1165560805.db2.gz HTWHKVHAZDDDIN-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC12CC2 ZINC001580293566 1165560811 /nfs/dbraw/zinc/56/08/11/1165560811.db2.gz HTWHKVHAZDDDIN-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccoc1 ZINC001580302744 1165563623 /nfs/dbraw/zinc/56/36/23/1165563623.db2.gz IEUJDSMDQODOGH-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccoc1 ZINC001580302744 1165563628 /nfs/dbraw/zinc/56/36/28/1165563628.db2.gz IEUJDSMDQODOGH-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccco1 ZINC001580416235 1165598284 /nfs/dbraw/zinc/59/82/84/1165598284.db2.gz VLGZGMFUYQKZIL-MRVPVSSYSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccco1 ZINC001580416235 1165598289 /nfs/dbraw/zinc/59/82/89/1165598289.db2.gz VLGZGMFUYQKZIL-MRVPVSSYSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc[nH]1 ZINC001580419438 1165598326 /nfs/dbraw/zinc/59/83/26/1165598326.db2.gz FKLYGFKANFQIFC-MRVPVSSYSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc[nH]1 ZINC001580419438 1165598334 /nfs/dbraw/zinc/59/83/34/1165598334.db2.gz FKLYGFKANFQIFC-MRVPVSSYSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc[nH]c1 ZINC001580419660 1165598502 /nfs/dbraw/zinc/59/85/02/1165598502.db2.gz LGGRPIVHTMMFCZ-MRVPVSSYSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc[nH]c1 ZINC001580419660 1165598507 /nfs/dbraw/zinc/59/85/07/1165598507.db2.gz LGGRPIVHTMMFCZ-MRVPVSSYSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC1(C)C ZINC001580413903 1165598683 /nfs/dbraw/zinc/59/86/83/1165598683.db2.gz DCYXMRZEPQUFOI-RKDXNWHRSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CC1(F)F ZINC001580427566 1165601491 /nfs/dbraw/zinc/60/14/91/1165601491.db2.gz OYLCDEWBKWVIEJ-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CC1(F)F ZINC001580427566 1165601495 /nfs/dbraw/zinc/60/14/95/1165601495.db2.gz OYLCDEWBKWVIEJ-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM Nc1ncc(CCC(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)s1 ZINC001580471269 1165613043 /nfs/dbraw/zinc/61/30/43/1165613043.db2.gz GRRJPMXGIFKOAL-VIFPVBQESA-N -1 1 321.410 0.652 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC(CO)CC1 ZINC001580597579 1165649022 /nfs/dbraw/zinc/64/90/22/1165649022.db2.gz JPZUYDUZBIBECJ-UHFFFAOYSA-N -1 1 318.337 0.120 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC001580598545 1165650357 /nfs/dbraw/zinc/65/03/57/1165650357.db2.gz YYFLRJNYRFVFQI-PSASIEDQSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC001580602699 1165653240 /nfs/dbraw/zinc/65/32/40/1165653240.db2.gz RIYFAVHLKGTGCB-DTWKUNHWSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)CC(C)C)n1 ZINC001580641374 1165671367 /nfs/dbraw/zinc/67/13/67/1165671367.db2.gz BKQIMLWIARPGRU-UHFFFAOYSA-N -1 1 318.385 0.564 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)CC(C)C)n1 ZINC001580641374 1165671372 /nfs/dbraw/zinc/67/13/72/1165671372.db2.gz BKQIMLWIARPGRU-UHFFFAOYSA-N -1 1 318.385 0.564 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H](C)NC(=O)C(C)C)n1 ZINC001580685338 1165687249 /nfs/dbraw/zinc/68/72/49/1165687249.db2.gz QNJGAZVPOBQRMV-UWVGGRQHSA-N -1 1 318.385 0.926 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H](C)NC(=O)C(C)C)n1 ZINC001580685338 1165687255 /nfs/dbraw/zinc/68/72/55/1165687255.db2.gz QNJGAZVPOBQRMV-UWVGGRQHSA-N -1 1 318.385 0.926 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)C(C)C)C2)n1 ZINC001580760502 1165713408 /nfs/dbraw/zinc/71/34/08/1165713408.db2.gz MOTFDHBDAQOSJW-MGCOHNPYSA-N -1 1 316.369 0.680 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)C(C)C)C2)n1 ZINC001580760502 1165713412 /nfs/dbraw/zinc/71/34/12/1165713412.db2.gz MOTFDHBDAQOSJW-MGCOHNPYSA-N -1 1 316.369 0.680 20 0 DCADMM Cc1cc(OCC(=O)NCc2ccc(-c3nn[n-]n3)s2)no1 ZINC001581042417 1165779238 /nfs/dbraw/zinc/77/92/38/1165779238.db2.gz FZINYOMNYHZJDG-UHFFFAOYSA-N -1 1 320.334 0.920 20 0 DCADMM COCCCC(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001581221502 1165800257 /nfs/dbraw/zinc/80/02/57/1165800257.db2.gz MUPAIFNXXDDHGI-LBPRGKRZSA-N -1 1 321.377 0.935 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ncccc2N(C)C)c1-c1nn[n-]n1 ZINC001581403519 1165821247 /nfs/dbraw/zinc/82/12/47/1165821247.db2.gz PWYCFAAKTBBFOJ-UHFFFAOYSA-N -1 1 313.325 0.612 20 0 DCADMM Cc1ncc(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)o1 ZINC001581549353 1165841153 /nfs/dbraw/zinc/84/11/53/1165841153.db2.gz WZBVFEYIRBQFIF-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM Cc1nsc(NC(=O)C[C@@H]2CCCC(=O)N2)c1-c1nnn[n-]1 ZINC001581683763 1165858070 /nfs/dbraw/zinc/85/80/70/1165858070.db2.gz MXAIRTBGANQXEY-ZETCQYMHSA-N -1 1 321.366 0.629 20 0 DCADMM Cc1nsc(NC(=O)C[C@@H]2CCCC(=O)N2)c1-c1nn[n-]n1 ZINC001581683763 1165858077 /nfs/dbraw/zinc/85/80/77/1165858077.db2.gz MXAIRTBGANQXEY-ZETCQYMHSA-N -1 1 321.366 0.629 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2nn(C)c3ccccc32)n1 ZINC001581754934 1165870243 /nfs/dbraw/zinc/87/02/43/1165870243.db2.gz VFZVKVVPKJZCLA-UHFFFAOYSA-N -1 1 323.320 0.739 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2nn(C)c3ccccc32)n1 ZINC001581754934 1165870247 /nfs/dbraw/zinc/87/02/47/1165870247.db2.gz VFZVKVVPKJZCLA-UHFFFAOYSA-N -1 1 323.320 0.739 20 0 DCADMM Cn1cc(CCNC(=O)Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001581769768 1165872931 /nfs/dbraw/zinc/87/29/31/1165872931.db2.gz PANOKFOZXWVZLE-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1cc(CCNC(=O)Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001581769768 1165872942 /nfs/dbraw/zinc/87/29/42/1165872942.db2.gz PANOKFOZXWVZLE-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1cc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cn1 ZINC001581770197 1165873465 /nfs/dbraw/zinc/87/34/65/1165873465.db2.gz HDSXKTWUJCZBAO-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1cc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cn1 ZINC001581770197 1165873473 /nfs/dbraw/zinc/87/34/73/1165873473.db2.gz HDSXKTWUJCZBAO-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM FC(F)(F)c1noc(CNc2nccnc2-c2nnn[n-]2)n1 ZINC001581850932 1165887708 /nfs/dbraw/zinc/88/77/08/1165887708.db2.gz CHJUWHBGRSTOHZ-UHFFFAOYSA-N -1 1 313.203 0.671 20 0 DCADMM FC(F)(F)c1noc(CNc2nccnc2-c2nn[n-]n2)n1 ZINC001581850932 1165887713 /nfs/dbraw/zinc/88/77/13/1165887713.db2.gz CHJUWHBGRSTOHZ-UHFFFAOYSA-N -1 1 313.203 0.671 20 0 DCADMM NC(=O)Cc1csc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001581895753 1165905858 /nfs/dbraw/zinc/90/58/58/1165905858.db2.gz WEMWTOGQOQKYAY-UHFFFAOYSA-N -1 1 319.306 0.196 20 0 DCADMM NC(=O)Cc1csc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001581895753 1165905864 /nfs/dbraw/zinc/90/58/64/1165905864.db2.gz WEMWTOGQOQKYAY-UHFFFAOYSA-N -1 1 319.306 0.196 20 0 DCADMM NC(=O)Nc1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001581898477 1165906176 /nfs/dbraw/zinc/90/61/76/1165906176.db2.gz KIKOKIHAGYHXKN-UHFFFAOYSA-N -1 1 313.281 0.333 20 0 DCADMM NC(=O)Nc1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001581898477 1165906185 /nfs/dbraw/zinc/90/61/85/1165906185.db2.gz KIKOKIHAGYHXKN-UHFFFAOYSA-N -1 1 313.281 0.333 20 0 DCADMM Nc1n[nH]c2c1CN(c1nc(-c3nn[n-]n3)c(Cl)s1)CC2 ZINC001581910638 1165913078 /nfs/dbraw/zinc/91/30/78/1165913078.db2.gz WEXHFVSMYQUQFW-UHFFFAOYSA-N -1 1 323.773 0.845 20 0 DCADMM O=C(CCCF)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001582042923 1165942565 /nfs/dbraw/zinc/94/25/65/1165942565.db2.gz ZGYAEEDDRJAQQJ-UHFFFAOYSA-N -1 1 320.332 0.055 20 0 DCADMM O=C(CCCF)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001582042923 1165942569 /nfs/dbraw/zinc/94/25/69/1165942569.db2.gz ZGYAEEDDRJAQQJ-UHFFFAOYSA-N -1 1 320.332 0.055 20 0 DCADMM O=C(COc1ccc(F)c(F)c1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582127613 1165962180 /nfs/dbraw/zinc/96/21/80/1165962180.db2.gz UHPRMRNEGPELHB-UHFFFAOYSA-N -1 1 321.247 0.886 20 0 DCADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1cnccn1 ZINC001582129540 1165964148 /nfs/dbraw/zinc/96/41/48/1165964148.db2.gz MKOBTYYCZYWTQZ-UHFFFAOYSA-N -1 1 315.268 0.813 20 0 DCADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1cnccn1 ZINC001582129540 1165964149 /nfs/dbraw/zinc/96/41/49/1165964149.db2.gz MKOBTYYCZYWTQZ-UHFFFAOYSA-N -1 1 315.268 0.813 20 0 DCADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)NCc1cccs1 ZINC001582192310 1165980623 /nfs/dbraw/zinc/98/06/23/1165980623.db2.gz RNBLWEKOPHGCNA-UHFFFAOYSA-N -1 1 316.346 0.406 20 0 DCADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccc2c(c1)COC2 ZINC001582192557 1165980686 /nfs/dbraw/zinc/98/06/86/1165980686.db2.gz YVOVOOKWXZLORH-UHFFFAOYSA-N -1 1 323.312 0.942 20 0 DCADMM O=C(Cn1ccnc1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582197520 1165982214 /nfs/dbraw/zinc/98/22/14/1165982214.db2.gz RYSFZMROZFUDLV-UHFFFAOYSA-N -1 1 319.275 0.658 20 0 DCADMM O=C(N[C@@H]1CC12CCOCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001582265120 1165993787 /nfs/dbraw/zinc/99/37/87/1165993787.db2.gz GDMOZEXSUWHVLO-LLVKDONJSA-N -1 1 300.322 0.561 20 0 DCADMM O=C(N[C@@H]1CC12CCOCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001582265120 1165993791 /nfs/dbraw/zinc/99/37/91/1165993791.db2.gz GDMOZEXSUWHVLO-LLVKDONJSA-N -1 1 300.322 0.561 20 0 DCADMM O=C(N[C@@H]1CCC2(C1)OCCO2)c1cccc(-c2nnn[n-]2)n1 ZINC001582276500 1165995445 /nfs/dbraw/zinc/99/54/45/1165995445.db2.gz GUPWUCMZCHTBFN-SECBINFHSA-N -1 1 316.321 0.287 20 0 DCADMM O=C(N[C@@H]1CCC2(C1)OCCO2)c1cccc(-c2nn[n-]n2)n1 ZINC001582276500 1165995451 /nfs/dbraw/zinc/99/54/51/1165995451.db2.gz GUPWUCMZCHTBFN-SECBINFHSA-N -1 1 316.321 0.287 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccc2c1OCO2 ZINC001582554398 1166041987 /nfs/dbraw/zinc/04/19/87/1166041987.db2.gz HFXBYRKKRNSDHC-UHFFFAOYSA-N -1 1 324.300 0.920 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccc2c1OCO2 ZINC001582554398 1166041996 /nfs/dbraw/zinc/04/19/96/1166041996.db2.gz HFXBYRKKRNSDHC-UHFFFAOYSA-N -1 1 324.300 0.920 20 0 DCADMM O=C(NCc1noc2c1COCC2)c1coc(-c2nnn[n-]2)c1 ZINC001582559100 1166044160 /nfs/dbraw/zinc/04/41/60/1166044160.db2.gz ADILDEMNJPJVPO-UHFFFAOYSA-N -1 1 316.277 0.450 20 0 DCADMM O=C(NCc1noc2c1COCC2)c1coc(-c2nn[n-]n2)c1 ZINC001582559100 1166044171 /nfs/dbraw/zinc/04/41/71/1166044171.db2.gz ADILDEMNJPJVPO-UHFFFAOYSA-N -1 1 316.277 0.450 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc2c1OCCO2 ZINC001582632213 1166056962 /nfs/dbraw/zinc/05/69/62/1166056962.db2.gz YKVYRVSBUGUBSE-UHFFFAOYSA-N -1 1 313.277 0.613 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc2c1OCCO2 ZINC001582632213 1166056965 /nfs/dbraw/zinc/05/69/65/1166056965.db2.gz YKVYRVSBUGUBSE-UHFFFAOYSA-N -1 1 313.277 0.613 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCc2cc[nH]c(=O)c21 ZINC001582708539 1166069207 /nfs/dbraw/zinc/06/92/07/1166069207.db2.gz OICCNQRILGYHOW-UHFFFAOYSA-N -1 1 323.316 0.955 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCc2cc[nH]c(=O)c21 ZINC001582708539 1166069215 /nfs/dbraw/zinc/06/92/15/1166069215.db2.gz OICCNQRILGYHOW-UHFFFAOYSA-N -1 1 323.316 0.955 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C1(c2ccccc2)CC(=O)C1 ZINC001582758399 1166075698 /nfs/dbraw/zinc/07/56/98/1166075698.db2.gz OHBJBHFJMFMDGH-UHFFFAOYSA-N -1 1 323.316 0.829 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C1(c2ccccc2)CC(=O)C1 ZINC001582758399 1166075703 /nfs/dbraw/zinc/07/57/03/1166075703.db2.gz OHBJBHFJMFMDGH-UHFFFAOYSA-N -1 1 323.316 0.829 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H]2CCCC[C@H]21 ZINC001582799804 1166083815 /nfs/dbraw/zinc/08/38/15/1166083815.db2.gz MEOQTACCKFRUJQ-BXKDBHETSA-N -1 1 320.378 0.825 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H]2CCCC[C@H]21 ZINC001582799804 1166083823 /nfs/dbraw/zinc/08/38/23/1166083823.db2.gz MEOQTACCKFRUJQ-BXKDBHETSA-N -1 1 320.378 0.825 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001582806811 1166086510 /nfs/dbraw/zinc/08/65/10/1166086510.db2.gz UKGLDRHSAJDWSI-YGRLFVJLSA-N -1 1 318.337 0.152 20 0 DCADMM OC[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@H]1C(F)(F)F ZINC001582813868 1166093894 /nfs/dbraw/zinc/09/38/94/1166093894.db2.gz GPBWDEQWTHFBIB-POYBYMJQSA-N -1 1 315.259 0.264 20 0 DCADMM CCCCCC(=O)NC1CCN(C(=O)CCc2nn[n-]n2)CC1 ZINC001583849295 1166290297 /nfs/dbraw/zinc/29/02/97/1166290297.db2.gz ZKNDVRNBTDMZKP-UHFFFAOYSA-N -1 1 322.413 0.820 20 0 DCADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nn1cccn1 ZINC001584514347 1166328741 /nfs/dbraw/zinc/32/87/41/1166328741.db2.gz HRYJXCPWVAHNCI-UHFFFAOYSA-N -1 1 310.317 0.650 20 0 DCADMM C[C@@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1cnccn1 ZINC001586106283 1166480048 /nfs/dbraw/zinc/48/00/48/1166480048.db2.gz XIRPNLDITZLWOZ-MFKMUULPSA-N -1 1 309.333 0.999 20 0 DCADMM O=C(c1nccc2cccnc21)N1CCOC[C@H]1c1nn[n-]n1 ZINC001586805157 1166499339 /nfs/dbraw/zinc/49/93/39/1166499339.db2.gz LIZRBQSBBGMDHB-JTQLQIEISA-N -1 1 311.305 0.357 20 0 DCADMM CCC[C@@H](NC(=O)c1ccc(C(N)=O)c(Cl)n1)c1nn[n-]n1 ZINC001587596716 1166508831 /nfs/dbraw/zinc/50/88/31/1166508831.db2.gz ACLOHHBKMYPTIJ-SSDOTTSWSA-N -1 1 323.744 0.618 20 0 DCADMM CC(=O)N1C[C@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588807095 1166591926 /nfs/dbraw/zinc/59/19/26/1166591926.db2.gz YHXLFLNRKLWSOE-WCBMZHEXSA-N -1 1 302.342 0.183 20 0 DCADMM CC(=O)N1C[C@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588807095 1166591941 /nfs/dbraw/zinc/59/19/41/1166591941.db2.gz YHXLFLNRKLWSOE-WCBMZHEXSA-N -1 1 302.342 0.183 20 0 DCADMM CC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588806907 1166592706 /nfs/dbraw/zinc/59/27/06/1166592706.db2.gz NBSARCUFVYIRID-SNVBAGLBSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588806907 1166592712 /nfs/dbraw/zinc/59/27/12/1166592712.db2.gz NBSARCUFVYIRID-SNVBAGLBSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)NC(C)(C)c1noc(-c2coc(-c3nnn[n-]3)c2)n1 ZINC001588831403 1166601058 /nfs/dbraw/zinc/60/10/58/1166601058.db2.gz FVNAKPSGPARNPU-UHFFFAOYSA-N -1 1 303.282 0.881 20 0 DCADMM CC(=O)NC(C)(C)c1noc(-c2coc(-c3nn[n-]n3)c2)n1 ZINC001588831403 1166601064 /nfs/dbraw/zinc/60/10/64/1166601064.db2.gz FVNAKPSGPARNPU-UHFFFAOYSA-N -1 1 303.282 0.881 20 0 DCADMM CC(=O)N[C@@H]1CC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588839293 1166602425 /nfs/dbraw/zinc/60/24/25/1166602425.db2.gz BPSRPZSWVQWNHE-WCBMZHEXSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588839293 1166602433 /nfs/dbraw/zinc/60/24/33/1166602433.db2.gz BPSRPZSWVQWNHE-WCBMZHEXSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001588841680 1166606159 /nfs/dbraw/zinc/60/61/59/1166606159.db2.gz NDFBJUYUUDKPQN-PSASIEDQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588841680 1166606163 /nfs/dbraw/zinc/60/61/63/1166606163.db2.gz NDFBJUYUUDKPQN-PSASIEDQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588840249 1166607251 /nfs/dbraw/zinc/60/72/51/1166607251.db2.gz UKOYAYNEDRIWCF-ZJUUUORDSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588840249 1166607256 /nfs/dbraw/zinc/60/72/56/1166607256.db2.gz UKOYAYNEDRIWCF-ZJUUUORDSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](C(=O)N1C[C@@H]2CCCC[C@H]2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588947982 1166621543 /nfs/dbraw/zinc/62/15/43/1166621543.db2.gz BNKCMFJYQAGOQP-VWYCJHECSA-N -1 1 316.369 0.668 20 0 DCADMM C[C@@H](C(=O)N(C)c1nccs1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943695 1166622150 /nfs/dbraw/zinc/62/21/50/1166622150.db2.gz ZOCFUWLRYWKCJL-LURJTMIESA-N -1 1 305.327 0.139 20 0 DCADMM C[C@@H](C(=O)[N-]OCCC(F)(F)F)n1cnc(-c2nn[nH]n2)n1 ZINC001589003429 1166626679 /nfs/dbraw/zinc/62/66/79/1166626679.db2.gz XRAPSFZKCGCVAS-YFKPBYRVSA-N -1 1 320.235 0.019 20 0 DCADMM C[C@H](C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588992705 1166626523 /nfs/dbraw/zinc/62/65/23/1166626523.db2.gz ZBXSIUPNGUGNFZ-SECBINFHSA-N -1 1 318.385 0.867 20 0 DCADMM C[C@H](C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588992705 1166626526 /nfs/dbraw/zinc/62/65/26/1166626526.db2.gz ZBXSIUPNGUGNFZ-SECBINFHSA-N -1 1 318.385 0.867 20 0 DCADMM C[C@@H](C(=O)NCCc1ccsc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588996006 1166627384 /nfs/dbraw/zinc/62/73/84/1166627384.db2.gz AKJFPPKVTLYZKE-QMMMGPOBSA-N -1 1 318.366 0.440 20 0 DCADMM C[C@H](C(=O)OCc1cscn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589032783 1166631524 /nfs/dbraw/zinc/63/15/24/1166631524.db2.gz RDWFVNGUGYZKQW-ZCFIWIBFSA-N -1 1 306.311 0.219 20 0 DCADMM C[C@@H](C(=O)OCc1ccccn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589030577 1166631697 /nfs/dbraw/zinc/63/16/97/1166631697.db2.gz OIYSAYIGCJTPOU-QMMMGPOBSA-N -1 1 300.282 0.158 20 0 DCADMM CC(C)(C)N1C[C@H](CNc2ncncc2-c2nn[n-]n2)CC1=O ZINC001589134015 1166637448 /nfs/dbraw/zinc/63/74/48/1166637448.db2.gz HXZVCXCICWMNNK-VIFPVBQESA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)(C)S(=O)(=O)CCNc1ncncc1-c1nn[n-]n1 ZINC001589208294 1166639900 /nfs/dbraw/zinc/63/99/00/1166639900.db2.gz UTZLAZXOBARMQQ-UHFFFAOYSA-N -1 1 311.371 0.282 20 0 DCADMM CC(C)(O)C1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001589326636 1166648302 /nfs/dbraw/zinc/64/83/02/1166648302.db2.gz BLGCFNJQHMXGRG-UHFFFAOYSA-N -1 1 305.313 0.849 20 0 DCADMM CC(C)(O)C1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001589326636 1166648306 /nfs/dbraw/zinc/64/83/06/1166648306.db2.gz BLGCFNJQHMXGRG-UHFFFAOYSA-N -1 1 305.313 0.849 20 0 DCADMM CC(C)[C@@H](CCO)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589441531 1166659040 /nfs/dbraw/zinc/65/90/40/1166659040.db2.gz FKQVGSZQBLUBOT-SNVBAGLBSA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)[C@@H](CCO)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589441531 1166659043 /nfs/dbraw/zinc/65/90/43/1166659043.db2.gz FKQVGSZQBLUBOT-SNVBAGLBSA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1nncn1C ZINC001589475739 1166661118 /nfs/dbraw/zinc/66/11/18/1166661118.db2.gz JQOWJAZOUZROOQ-JTQLQIEISA-N -1 1 300.330 0.594 20 0 DCADMM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1nncn1C ZINC001589475739 1166661122 /nfs/dbraw/zinc/66/11/22/1166661122.db2.gz JQOWJAZOUZROOQ-JTQLQIEISA-N -1 1 300.330 0.594 20 0 DCADMM CC(C)NC(=O)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589721904 1166677929 /nfs/dbraw/zinc/67/79/29/1166677929.db2.gz YUVYXVUFBGBRTK-UHFFFAOYSA-N -1 1 306.301 0.260 20 0 DCADMM CC(C)NC(=O)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589721904 1166677937 /nfs/dbraw/zinc/67/79/37/1166677937.db2.gz YUVYXVUFBGBRTK-UHFFFAOYSA-N -1 1 306.301 0.260 20 0 DCADMM CC(C)O[C@H]1C[C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589750177 1166683186 /nfs/dbraw/zinc/68/31/86/1166683186.db2.gz SIGRGADPICKTMQ-TXEJJXNPSA-N -1 1 316.365 0.876 20 0 DCADMM CC(C)O[C@H]1C[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589750177 1166683192 /nfs/dbraw/zinc/68/31/92/1166683192.db2.gz SIGRGADPICKTMQ-TXEJJXNPSA-N -1 1 316.365 0.876 20 0 DCADMM C[C@@H](CC(=O)NCCn1cnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001589792559 1166688828 /nfs/dbraw/zinc/68/88/28/1166688828.db2.gz FFZFXDJWRXVOPZ-LURJTMIESA-N -1 1 318.263 0.163 20 0 DCADMM C[C@@H](CCO)CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589833626 1166694781 /nfs/dbraw/zinc/69/47/81/1166694781.db2.gz GCUAOIMERGLJQR-QMMMGPOBSA-N -1 1 310.383 0.746 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589850301 1166699389 /nfs/dbraw/zinc/69/93/89/1166699389.db2.gz HQORJJDIKQONSP-MRVPVSSYSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589850301 1166699394 /nfs/dbraw/zinc/69/93/94/1166699394.db2.gz HQORJJDIKQONSP-MRVPVSSYSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC001589880836 1166704582 /nfs/dbraw/zinc/70/45/82/1166704582.db2.gz UTVWWTAXRVZBBW-QMMMGPOBSA-N -1 1 320.357 0.982 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC001589880836 1166704587 /nfs/dbraw/zinc/70/45/87/1166704587.db2.gz UTVWWTAXRVZBBW-QMMMGPOBSA-N -1 1 320.357 0.982 20 0 DCADMM CC(C)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001589905872 1166713423 /nfs/dbraw/zinc/71/34/23/1166713423.db2.gz RALOALGMQABKBW-UHFFFAOYSA-N -1 1 314.300 0.256 20 0 DCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C1CC1 ZINC001589918758 1166720260 /nfs/dbraw/zinc/72/02/60/1166720260.db2.gz UOCAECKJUQNJDI-SFYZADRCSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C1CC1 ZINC001589918758 1166720265 /nfs/dbraw/zinc/72/02/65/1166720265.db2.gz UOCAECKJUQNJDI-SFYZADRCSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@H](NC(=O)C1CCCC1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589924634 1166721670 /nfs/dbraw/zinc/72/16/70/1166721670.db2.gz MYZDIHVPAGCCAC-ZETCQYMHSA-N -1 1 318.341 0.223 20 0 DCADMM C[C@H](NC(=O)C1CCCC1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589924634 1166721673 /nfs/dbraw/zinc/72/16/73/1166721673.db2.gz MYZDIHVPAGCCAC-ZETCQYMHSA-N -1 1 318.341 0.223 20 0 DCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(=O)Nc1ccccc1 ZINC001589985235 1166734978 /nfs/dbraw/zinc/73/49/78/1166734978.db2.gz GBQPBDPUKQBBQH-SECBINFHSA-N -1 1 310.321 0.518 20 0 DCADMM C[C@H](OC(=O)c1csc(-c2nnn[n-]2)c1)c1nnnn1C ZINC001590015605 1166753645 /nfs/dbraw/zinc/75/36/45/1166753645.db2.gz JMBCIADQRFKBCK-YFKPBYRVSA-N -1 1 306.311 0.370 20 0 DCADMM C[C@H](OC(=O)c1csc(-c2nn[n-]n2)c1)c1nnnn1C ZINC001590015605 1166753650 /nfs/dbraw/zinc/75/36/50/1166753650.db2.gz JMBCIADQRFKBCK-YFKPBYRVSA-N -1 1 306.311 0.370 20 0 DCADMM C[C@H](c1nc(Cc2cccnc2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590054914 1166761540 /nfs/dbraw/zinc/76/15/40/1166761540.db2.gz VUNJHUGTEKUMEU-MRVPVSSYSA-N -1 1 324.308 0.436 20 0 DCADMM CC1(C(=O)COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590056988 1166764075 /nfs/dbraw/zinc/76/40/75/1166764075.db2.gz VPRATIWWEXJFMK-UHFFFAOYSA-N -1 1 301.306 0.717 20 0 DCADMM CC1(C(=O)COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590056988 1166764084 /nfs/dbraw/zinc/76/40/84/1166764084.db2.gz VPRATIWWEXJFMK-UHFFFAOYSA-N -1 1 301.306 0.717 20 0 DCADMM C[C@]1(C(N)=O)CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001590072184 1166765418 /nfs/dbraw/zinc/76/54/18/1166765418.db2.gz FSFKNGUKODRLKY-HNNXBMFYSA-N -1 1 324.348 0.512 20 0 DCADMM C[C@]1(C(N)=O)CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001590072184 1166765422 /nfs/dbraw/zinc/76/54/22/1166765422.db2.gz FSFKNGUKODRLKY-HNNXBMFYSA-N -1 1 324.348 0.512 20 0 DCADMM C[C@@]1(C(N)=O)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001590073635 1166766163 /nfs/dbraw/zinc/76/61/63/1166766163.db2.gz VXJOZAXURSKODJ-GFCCVEGCSA-N -1 1 307.745 0.617 20 0 DCADMM C[C@@]1(C(N)=O)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001590073635 1166766167 /nfs/dbraw/zinc/76/61/67/1166766167.db2.gz VXJOZAXURSKODJ-GFCCVEGCSA-N -1 1 307.745 0.617 20 0 DCADMM CC1(C)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001590103554 1166773475 /nfs/dbraw/zinc/77/34/75/1166773475.db2.gz YVKPUQONVNCSEE-JTQLQIEISA-N -1 1 303.326 0.496 20 0 DCADMM CC1(C)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001590103554 1166773479 /nfs/dbraw/zinc/77/34/79/1166773479.db2.gz YVKPUQONVNCSEE-JTQLQIEISA-N -1 1 303.326 0.496 20 0 DCADMM CC1(C)CCN(c2ncncc2-c2nn[n-]n2)CCS1(=O)=O ZINC001590100810 1166773563 /nfs/dbraw/zinc/77/35/63/1166773563.db2.gz ZGVANRBEJHVNHH-UHFFFAOYSA-N -1 1 323.382 0.060 20 0 DCADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]2COC[C@H]2O1 ZINC001590109447 1166777089 /nfs/dbraw/zinc/77/70/89/1166777089.db2.gz YNBYSAGOANVECV-NXEZZACHSA-N -1 1 303.326 0.039 20 0 DCADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]2COC[C@H]2O1 ZINC001590109447 1166777093 /nfs/dbraw/zinc/77/70/93/1166777093.db2.gz YNBYSAGOANVECV-NXEZZACHSA-N -1 1 303.326 0.039 20 0 DCADMM C[C@@]1(CCC(=O)OCc2ccc(-c3nnn[n-]3)o2)CCC(=O)N1 ZINC001590125260 1166781332 /nfs/dbraw/zinc/78/13/32/1166781332.db2.gz NJIRUMPKCNWRKT-AWEZNQCLSA-N -1 1 319.321 0.952 20 0 DCADMM C[C@@]1(CCC(=O)OCc2ccc(-c3nn[n-]n3)o2)CCC(=O)N1 ZINC001590125260 1166781343 /nfs/dbraw/zinc/78/13/43/1166781343.db2.gz NJIRUMPKCNWRKT-AWEZNQCLSA-N -1 1 319.321 0.952 20 0 DCADMM C[C@]1(CCC(=O)OCc2ccc(-c3nnn[n-]3)o2)CCC(=O)N1 ZINC001590125263 1166782014 /nfs/dbraw/zinc/78/20/14/1166782014.db2.gz NJIRUMPKCNWRKT-CQSZACIVSA-N -1 1 319.321 0.952 20 0 DCADMM C[C@]1(CCC(=O)OCc2ccc(-c3nn[n-]n3)o2)CCC(=O)N1 ZINC001590125263 1166782016 /nfs/dbraw/zinc/78/20/16/1166782016.db2.gz NJIRUMPKCNWRKT-CQSZACIVSA-N -1 1 319.321 0.952 20 0 DCADMM C[C@@]1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCCCO1 ZINC001590132979 1166785709 /nfs/dbraw/zinc/78/57/09/1166785709.db2.gz XHKCQMNNRAAFLR-AWEZNQCLSA-N -1 1 302.338 0.951 20 0 DCADMM C[C@@]1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCCO1 ZINC001590132979 1166785714 /nfs/dbraw/zinc/78/57/14/1166785714.db2.gz XHKCQMNNRAAFLR-AWEZNQCLSA-N -1 1 302.338 0.951 20 0 DCADMM CC1=C(C(=O)Nc2ncc(-c3nnn[n-]3)s2)C(=O)OC1(C)C ZINC001590158211 1166792942 /nfs/dbraw/zinc/79/29/42/1166792942.db2.gz PPDTYOBVLOPZDV-UHFFFAOYSA-N -1 1 320.334 0.914 20 0 DCADMM CC1=C(C(=O)Nc2ncc(-c3nn[n-]n3)s2)C(=O)OC1(C)C ZINC001590158211 1166792950 /nfs/dbraw/zinc/79/29/50/1166792950.db2.gz PPDTYOBVLOPZDV-UHFFFAOYSA-N -1 1 320.334 0.914 20 0 DCADMM C[C@H]1C(=O)N(C)CCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590164206 1166795252 /nfs/dbraw/zinc/79/52/52/1166795252.db2.gz NTHCKMYWCGDGKH-ZETCQYMHSA-N -1 1 306.351 0.231 20 0 DCADMM C[C@H]1C(=O)N(C)CCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590164206 1166795261 /nfs/dbraw/zinc/79/52/61/1166795261.db2.gz NTHCKMYWCGDGKH-ZETCQYMHSA-N -1 1 306.351 0.231 20 0 DCADMM C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590167847 1166799479 /nfs/dbraw/zinc/79/94/79/1166799479.db2.gz PYUXKVBZUCASKK-HRDYMLBCSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590167847 1166799488 /nfs/dbraw/zinc/79/94/88/1166799488.db2.gz PYUXKVBZUCASKK-HRDYMLBCSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@H]1C[C@H](CO)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590191094 1166804440 /nfs/dbraw/zinc/80/44/40/1166804440.db2.gz DNXFRWPFHXUCGC-UWVGGRQHSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@H]1C[C@H](CO)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590191094 1166804449 /nfs/dbraw/zinc/80/44/49/1166804449.db2.gz DNXFRWPFHXUCGC-UWVGGRQHSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C(=O)O1 ZINC001590198218 1166809753 /nfs/dbraw/zinc/80/97/53/1166809753.db2.gz AUGVEPDLBDBVLI-HTRCEHHLSA-N -1 1 303.282 0.087 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C(=O)O1 ZINC001590198218 1166809760 /nfs/dbraw/zinc/80/97/60/1166809760.db2.gz AUGVEPDLBDBVLI-HTRCEHHLSA-N -1 1 303.282 0.087 20 0 DCADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@@H]1CO ZINC001590270532 1166831940 /nfs/dbraw/zinc/83/19/40/1166831940.db2.gz YUMUBROLFNHVLE-NXEZZACHSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@@H]1CO ZINC001590270532 1166831949 /nfs/dbraw/zinc/83/19/49/1166831949.db2.gz YUMUBROLFNHVLE-NXEZZACHSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)CCO1 ZINC001590276231 1166838723 /nfs/dbraw/zinc/83/87/23/1166838723.db2.gz KWCWAKOLLKCMPT-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM C[C@H]1CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC[C@@H]1O ZINC001590290964 1166843633 /nfs/dbraw/zinc/84/36/33/1166843633.db2.gz LMOHZELVDNNXQT-CBAPKCEASA-N -1 1 323.382 0.236 20 0 DCADMM C[C@H]1CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC[C@@H]1O ZINC001590290964 1166843640 /nfs/dbraw/zinc/84/36/40/1166843640.db2.gz LMOHZELVDNNXQT-CBAPKCEASA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H]1Cn2nccc2N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590298288 1166845240 /nfs/dbraw/zinc/84/52/40/1166845240.db2.gz JINDTVWZDNMBFA-VIFPVBQESA-N -1 1 310.321 0.755 20 0 DCADMM C[C@@H]1Cn2nccc2N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590298288 1166845243 /nfs/dbraw/zinc/84/52/43/1166845243.db2.gz JINDTVWZDNMBFA-VIFPVBQESA-N -1 1 310.321 0.755 20 0 DCADMM C[C@@H]1CO[C@@H](CO)CN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590320821 1166863673 /nfs/dbraw/zinc/86/36/73/1166863673.db2.gz AEUZYFBGUORPHU-PHDIDXHHSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1COCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590327244 1166869223 /nfs/dbraw/zinc/86/92/23/1166869223.db2.gz WVNFCRQALSHPCK-VIFPVBQESA-N -1 1 303.326 0.762 20 0 DCADMM C[C@@H]1COCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590327244 1166869228 /nfs/dbraw/zinc/86/92/28/1166869228.db2.gz WVNFCRQALSHPCK-VIFPVBQESA-N -1 1 303.326 0.762 20 0 DCADMM C[C@@H]1c2nncn2CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590336974 1166873229 /nfs/dbraw/zinc/87/32/29/1166873229.db2.gz GKSUHDWAJUXUAR-SSDOTTSWSA-N -1 1 300.282 0.268 20 0 DCADMM C[C@@H]1c2nncn2CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590336974 1166873246 /nfs/dbraw/zinc/87/32/46/1166873246.db2.gz GKSUHDWAJUXUAR-SSDOTTSWSA-N -1 1 300.282 0.268 20 0 DCADMM C/C=C(\C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001590353495 1166882443 /nfs/dbraw/zinc/88/24/43/1166882443.db2.gz JFFRIKQEKIHZFJ-NAZIUFLLSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(\C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001590353495 1166882450 /nfs/dbraw/zinc/88/24/50/1166882450.db2.gz JFFRIKQEKIHZFJ-NAZIUFLLSA-N -1 1 316.369 0.564 20 0 DCADMM CCC(=O)N1CCCC[C@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590361565 1166883642 /nfs/dbraw/zinc/88/36/42/1166883642.db2.gz JKXKNHQFZMHTGP-VIFPVBQESA-N -1 1 318.341 0.077 20 0 DCADMM CCC(C)(C)[C@@H](O)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590373638 1166891498 /nfs/dbraw/zinc/89/14/98/1166891498.db2.gz QNFSPTJAMAJGCO-NSHDSACASA-N -1 1 304.354 0.675 20 0 DCADMM CCC(C)(C)[C@@H](O)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590373638 1166891501 /nfs/dbraw/zinc/89/15/01/1166891501.db2.gz QNFSPTJAMAJGCO-NSHDSACASA-N -1 1 304.354 0.675 20 0 DCADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590395592 1166897403 /nfs/dbraw/zinc/89/74/03/1166897403.db2.gz BJULDDILOQMVDS-BMIGLBTASA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590395592 1166897406 /nfs/dbraw/zinc/89/74/06/1166897406.db2.gz BJULDDILOQMVDS-BMIGLBTASA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590391591 1166897506 /nfs/dbraw/zinc/89/75/06/1166897506.db2.gz WIDWKPZLHRKLCN-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590391591 1166897508 /nfs/dbraw/zinc/89/75/08/1166897508.db2.gz WIDWKPZLHRKLCN-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)C(=O)NCCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001590394023 1166898409 /nfs/dbraw/zinc/89/84/09/1166898409.db2.gz RVGURLKOLUVTPU-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)C(=O)NCCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001590394023 1166898413 /nfs/dbraw/zinc/89/84/13/1166898413.db2.gz RVGURLKOLUVTPU-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)CN(C)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590410713 1166900846 /nfs/dbraw/zinc/90/08/46/1166900846.db2.gz POJMMCYPLDCFAR-VIFPVBQESA-N -1 1 310.383 0.928 20 0 DCADMM CC[C@H](COC(=O)c1ccnc(-c2nnn[n-]2)c1)C(=O)OC ZINC001590449077 1166907858 /nfs/dbraw/zinc/90/78/58/1166907858.db2.gz QQBDKOWIRJVEGB-MRVPVSSYSA-N -1 1 305.294 0.618 20 0 DCADMM CC[C@H](COC(=O)c1ccnc(-c2nn[n-]n2)c1)C(=O)OC ZINC001590449077 1166907864 /nfs/dbraw/zinc/90/78/64/1166907864.db2.gz QQBDKOWIRJVEGB-MRVPVSSYSA-N -1 1 305.294 0.618 20 0 DCADMM CC[C@@H](COC(=O)c1ccnc(-c2nnn[n-]2)c1)C(=O)OC ZINC001590449078 1166908304 /nfs/dbraw/zinc/90/83/04/1166908304.db2.gz QQBDKOWIRJVEGB-QMMMGPOBSA-N -1 1 305.294 0.618 20 0 DCADMM CC[C@@H](COC(=O)c1ccnc(-c2nn[n-]n2)c1)C(=O)OC ZINC001590449078 1166908310 /nfs/dbraw/zinc/90/83/10/1166908310.db2.gz QQBDKOWIRJVEGB-QMMMGPOBSA-N -1 1 305.294 0.618 20 0 DCADMM CC[C@@](COC)(NC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)OC ZINC001590448710 1166908534 /nfs/dbraw/zinc/90/85/34/1166908534.db2.gz NMUUVDPYRSEKRL-ZDUSSCGKSA-N -1 1 323.309 0.158 20 0 DCADMM CC[C@@](COC)(NC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)OC ZINC001590448710 1166908537 /nfs/dbraw/zinc/90/85/37/1166908537.db2.gz NMUUVDPYRSEKRL-ZDUSSCGKSA-N -1 1 323.309 0.158 20 0 DCADMM CC[C@H](F)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590453592 1166910095 /nfs/dbraw/zinc/91/00/95/1166910095.db2.gz PAUFNZSXSJAXMF-TYRPZCRBSA-N -1 1 320.332 0.489 20 0 DCADMM CC[C@H](F)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590453592 1166910096 /nfs/dbraw/zinc/91/00/96/1166910096.db2.gz PAUFNZSXSJAXMF-TYRPZCRBSA-N -1 1 320.332 0.489 20 0 DCADMM CC[C@H](F)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590453632 1166910630 /nfs/dbraw/zinc/91/06/30/1166910630.db2.gz VLGOEYBCPLIFOH-VIFPVBQESA-N -1 1 320.332 0.053 20 0 DCADMM CC[C@H](F)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590453632 1166910639 /nfs/dbraw/zinc/91/06/39/1166910639.db2.gz VLGOEYBCPLIFOH-VIFPVBQESA-N -1 1 320.332 0.053 20 0 DCADMM CC[C@@H](F)C(=O)NCCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590456823 1166913007 /nfs/dbraw/zinc/91/30/07/1166913007.db2.gz VBSDPWTWBFFUGY-SECBINFHSA-N -1 1 322.348 0.631 20 0 DCADMM CC[C@@H](F)C(=O)NCCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590456823 1166913015 /nfs/dbraw/zinc/91/30/15/1166913015.db2.gz VBSDPWTWBFFUGY-SECBINFHSA-N -1 1 322.348 0.631 20 0 DCADMM CCC(O)(CC)CN(C)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590473130 1166918458 /nfs/dbraw/zinc/91/84/58/1166918458.db2.gz DALAWGAAFVXJHV-VIFPVBQESA-N -1 1 322.373 0.029 20 0 DCADMM CC[C@H](OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001590477571 1166920897 /nfs/dbraw/zinc/92/08/97/1166920897.db2.gz VSBWGBLVCQLHFC-RITPCOANSA-N -1 1 319.247 0.903 20 0 DCADMM CC[C@@H]1CCC[C@@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590510307 1166929034 /nfs/dbraw/zinc/92/90/34/1166929034.db2.gz WUJUIYFCSCDAJE-NXEZZACHSA-N -1 1 304.358 0.401 20 0 DCADMM CC[C@@H]1CN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C[C@H]1O ZINC001590520777 1166931769 /nfs/dbraw/zinc/93/17/69/1166931769.db2.gz IYNXVNPAPSGNTO-LDYMZIIASA-N -1 1 318.337 0.255 20 0 DCADMM CC[C@@H]1CN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C[C@H]1O ZINC001590520777 1166931775 /nfs/dbraw/zinc/93/17/75/1166931775.db2.gz IYNXVNPAPSGNTO-LDYMZIIASA-N -1 1 318.337 0.255 20 0 DCADMM CCCC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001590534051 1166936025 /nfs/dbraw/zinc/93/60/25/1166936025.db2.gz LOESXIBYEFEGAK-UHFFFAOYSA-N -1 1 304.358 0.351 20 0 DCADMM CCCC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001590534051 1166936031 /nfs/dbraw/zinc/93/60/31/1166936031.db2.gz LOESXIBYEFEGAK-UHFFFAOYSA-N -1 1 304.358 0.351 20 0 DCADMM CCCC(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590538041 1166938645 /nfs/dbraw/zinc/93/86/45/1166938645.db2.gz QPVFPRRYLKMXNK-ONEGZZNKSA-N -1 1 302.342 0.541 20 0 DCADMM CCCC(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590538041 1166938651 /nfs/dbraw/zinc/93/86/51/1166938651.db2.gz QPVFPRRYLKMXNK-ONEGZZNKSA-N -1 1 302.342 0.541 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590537602 1166939924 /nfs/dbraw/zinc/93/99/24/1166939924.db2.gz QQAHSBAEZXWHRN-VIFPVBQESA-N -1 1 302.342 0.152 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590537602 1166939931 /nfs/dbraw/zinc/93/99/31/1166939931.db2.gz QQAHSBAEZXWHRN-VIFPVBQESA-N -1 1 302.342 0.152 20 0 DCADMM CCC[C@H](O)[C@@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590559701 1166945019 /nfs/dbraw/zinc/94/50/19/1166945019.db2.gz IZLVQXYLUMRBQG-BDAKNGLRSA-N -1 1 312.761 0.849 20 0 DCADMM CCC[C@H](O)[C@@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590559701 1166945022 /nfs/dbraw/zinc/94/50/22/1166945022.db2.gz IZLVQXYLUMRBQG-BDAKNGLRSA-N -1 1 312.761 0.849 20 0 DCADMM CCCC[C@H]1NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001590584617 1166946788 /nfs/dbraw/zinc/94/67/88/1166946788.db2.gz YPHBSIZCXVQBGM-SSDOTTSWSA-N -1 1 321.366 0.934 20 0 DCADMM CCCC[C@H]1NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001590584617 1166946795 /nfs/dbraw/zinc/94/67/95/1166946795.db2.gz YPHBSIZCXVQBGM-SSDOTTSWSA-N -1 1 321.366 0.934 20 0 DCADMM CCCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](C)CC ZINC001590597843 1166950155 /nfs/dbraw/zinc/95/01/55/1166950155.db2.gz HYCNAXBWRGMMAQ-JTQLQIEISA-N -1 1 306.374 0.885 20 0 DCADMM CCCN(CCC)C(=O)Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001590622724 1166952426 /nfs/dbraw/zinc/95/24/26/1166952426.db2.gz JLDPZARSBCXFPN-UHFFFAOYSA-N -1 1 316.369 0.965 20 0 DCADMM CCCN1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)CC1=O ZINC001590633516 1166955263 /nfs/dbraw/zinc/95/52/63/1166955263.db2.gz TZNWRMNOGWYQRW-VIFPVBQESA-N -1 1 318.337 0.448 20 0 DCADMM CCCN1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)CC1=O ZINC001590633516 1166955264 /nfs/dbraw/zinc/95/52/64/1166955264.db2.gz TZNWRMNOGWYQRW-VIFPVBQESA-N -1 1 318.337 0.448 20 0 DCADMM CCCn1cnnc1COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590664469 1166962964 /nfs/dbraw/zinc/96/29/64/1166962964.db2.gz QZNGHJOFMBHBEL-UHFFFAOYSA-N -1 1 303.282 0.818 20 0 DCADMM CCCn1cnnc1COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590664469 1166962971 /nfs/dbraw/zinc/96/29/71/1166962971.db2.gz QZNGHJOFMBHBEL-UHFFFAOYSA-N -1 1 303.282 0.818 20 0 DCADMM CCN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)C=C(C)C ZINC001590712649 1166980505 /nfs/dbraw/zinc/98/05/05/1166980505.db2.gz UPDYYCIJOKUESH-UHFFFAOYSA-N -1 1 316.369 0.883 20 0 DCADMM CCN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)C=C(C)C ZINC001590712649 1166980513 /nfs/dbraw/zinc/98/05/13/1166980513.db2.gz UPDYYCIJOKUESH-UHFFFAOYSA-N -1 1 316.369 0.883 20 0 DCADMM CCN1C[C@@H](OC(=O)c2csc(-c3nnn[n-]3)c2)CNC1=O ZINC001590731022 1166985386 /nfs/dbraw/zinc/98/53/86/1166985386.db2.gz XLIXPVXUUQFGTJ-QMMMGPOBSA-N -1 1 322.350 0.499 20 0 DCADMM CCN1C[C@@H](OC(=O)c2csc(-c3nn[n-]n3)c2)CNC1=O ZINC001590731022 1166985391 /nfs/dbraw/zinc/98/53/91/1166985391.db2.gz XLIXPVXUUQFGTJ-QMMMGPOBSA-N -1 1 322.350 0.499 20 0 DCADMM CCN1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1=O ZINC001590730709 1166987030 /nfs/dbraw/zinc/98/70/30/1166987030.db2.gz VBUICJREURXEIJ-ZETCQYMHSA-N -1 1 307.745 0.948 20 0 DCADMM CCN1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1=O ZINC001590730709 1166987035 /nfs/dbraw/zinc/98/70/35/1166987035.db2.gz VBUICJREURXEIJ-ZETCQYMHSA-N -1 1 307.745 0.948 20 0 DCADMM CCN1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1=O ZINC001590730011 1166987107 /nfs/dbraw/zinc/98/71/07/1166987107.db2.gz NDQBOLUVCBEACT-SECBINFHSA-N -1 1 314.353 0.567 20 0 DCADMM CCN1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1=O ZINC001590730011 1166987114 /nfs/dbraw/zinc/98/71/14/1166987114.db2.gz NDQBOLUVCBEACT-SECBINFHSA-N -1 1 314.353 0.567 20 0 DCADMM CCN1CCCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1=O ZINC001590732718 1166992379 /nfs/dbraw/zinc/99/23/79/1166992379.db2.gz QTTMPRKMHVQTIW-UHFFFAOYSA-N -1 1 301.354 0.629 20 0 DCADMM CCN1CCCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1=O ZINC001590732718 1166992383 /nfs/dbraw/zinc/99/23/83/1166992383.db2.gz QTTMPRKMHVQTIW-UHFFFAOYSA-N -1 1 301.354 0.629 20 0 DCADMM CCOC(=O)[C@H](C)C1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590753236 1167005506 /nfs/dbraw/zinc/00/55/06/1167005506.db2.gz ZOUCUYHJGLNJRK-MRVPVSSYSA-N -1 1 319.321 0.731 20 0 DCADMM CCOC(=O)[C@H](C)C1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590753236 1167005509 /nfs/dbraw/zinc/00/55/09/1167005509.db2.gz ZOUCUYHJGLNJRK-MRVPVSSYSA-N -1 1 319.321 0.731 20 0 DCADMM CCO[C@@H]1C[C@@H](NC(=O)c2csc(-c3nn[n-]n3)c2)[C@@H]1OC ZINC001590790795 1167022029 /nfs/dbraw/zinc/02/20/29/1167022029.db2.gz FGCRUPZMXZUTCP-KKZNHRDASA-N -1 1 323.378 0.850 20 0 DCADMM CC[C@@H](Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)C(N)=O ZINC001590857256 1167038697 /nfs/dbraw/zinc/03/86/97/1167038697.db2.gz WLHJJWUZDAKUQW-ZCFIWIBFSA-N -1 1 315.259 0.956 20 0 DCADMM CC[C@@H](Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)C(N)=O ZINC001590857256 1167038703 /nfs/dbraw/zinc/03/87/03/1167038703.db2.gz WLHJJWUZDAKUQW-ZCFIWIBFSA-N -1 1 315.259 0.956 20 0 DCADMM CCc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)n(C)n1 ZINC001590880247 1167043741 /nfs/dbraw/zinc/04/37/41/1167043741.db2.gz IOLJEEZLPKWODH-UHFFFAOYSA-N -1 1 312.337 0.488 20 0 DCADMM CCc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)n(C)n1 ZINC001590880247 1167043746 /nfs/dbraw/zinc/04/37/46/1167043746.db2.gz IOLJEEZLPKWODH-UHFFFAOYSA-N -1 1 312.337 0.488 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCn3cnnc3[C@H]2C)n1 ZINC001590909667 1167049780 /nfs/dbraw/zinc/04/97/80/1167049780.db2.gz OIAMYIZXNVOFCN-MRVPVSSYSA-N -1 1 312.341 0.392 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCn3cnnc3[C@H]2C)n1 ZINC001590909667 1167049785 /nfs/dbraw/zinc/04/97/85/1167049785.db2.gz OIAMYIZXNVOFCN-MRVPVSSYSA-N -1 1 312.341 0.392 20 0 DCADMM CCc1nc2c(nccc2C(=O)Nc2n[nH]cc2-c2nnn[n-]2)[nH]1 ZINC001590924148 1167050972 /nfs/dbraw/zinc/05/09/72/1167050972.db2.gz XYHWDKOUUOAWKZ-UHFFFAOYSA-N -1 1 324.308 0.676 20 0 DCADMM CCc1nc2c(nccc2C(=O)Nc2n[nH]cc2-c2nn[n-]n2)[nH]1 ZINC001590924148 1167050981 /nfs/dbraw/zinc/05/09/81/1167050981.db2.gz XYHWDKOUUOAWKZ-UHFFFAOYSA-N -1 1 324.308 0.676 20 0 DCADMM CCc1nc(NCC[C@@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590919513 1167052063 /nfs/dbraw/zinc/05/20/63/1167052063.db2.gz KQUQNPOPEGGOIL-SSDOTTSWSA-N -1 1 317.275 0.944 20 0 DCADMM CCc1nc(NCC[C@@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590919513 1167052068 /nfs/dbraw/zinc/05/20/68/1167052068.db2.gz KQUQNPOPEGGOIL-SSDOTTSWSA-N -1 1 317.275 0.944 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCC(C)(F)F)c1=O ZINC001590950137 1167057536 /nfs/dbraw/zinc/05/75/36/1167057536.db2.gz SETDKVBDLICKPJ-UHFFFAOYSA-N -1 1 314.296 0.645 20 0 DCADMM CCn1ccc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])n1 ZINC001590959079 1167058820 /nfs/dbraw/zinc/05/88/20/1167058820.db2.gz SIQOSRRVIOGIQD-UHFFFAOYSA-N -1 1 313.321 0.970 20 0 DCADMM CN(C(=O)[C@@H]1C[C@@]12CCOC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001590975917 1167064454 /nfs/dbraw/zinc/06/44/54/1167064454.db2.gz ITMAZWDPLFOVJR-IINYFYTJSA-N -1 1 300.322 0.651 20 0 DCADMM CN(C(=O)[C@@H]1C[C@@]12CCOC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001590975917 1167064459 /nfs/dbraw/zinc/06/44/59/1167064459.db2.gz ITMAZWDPLFOVJR-IINYFYTJSA-N -1 1 300.322 0.651 20 0 DCADMM CN(CC(F)(F)F)C(=O)COc1cnc(-c2nn[n-]n2)nc1 ZINC001591043755 1167092389 /nfs/dbraw/zinc/09/23/89/1167092389.db2.gz FEIOADXDEKXZCK-UHFFFAOYSA-N -1 1 317.231 0.056 20 0 DCADMM CN(CCCNC(=O)C1CCC1)c1nccnc1-c1nnn[n-]1 ZINC001591070731 1167101118 /nfs/dbraw/zinc/10/11/18/1167101118.db2.gz ZTJZFNNERZGHOL-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCCNC(=O)C1CCC1)c1nccnc1-c1nn[n-]n1 ZINC001591070731 1167101124 /nfs/dbraw/zinc/10/11/24/1167101124.db2.gz ZTJZFNNERZGHOL-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(Cc1ccccc1)C(=O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001591147570 1167116786 /nfs/dbraw/zinc/11/67/86/1167116786.db2.gz NEHKDURSDOJVEN-UHFFFAOYSA-N -1 1 324.348 0.727 20 0 DCADMM CN(Cc1ccccc1)C(=O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001591147570 1167116796 /nfs/dbraw/zinc/11/67/96/1167116796.db2.gz NEHKDURSDOJVEN-UHFFFAOYSA-N -1 1 324.348 0.727 20 0 DCADMM CN(c1nc(-c2nn[n-]n2)c(Cl)s1)[C@@H]1COC[C@H]1O ZINC001591159835 1167117447 /nfs/dbraw/zinc/11/74/47/1167117447.db2.gz XRRZYMQCEMDSHZ-RFZPGFLSSA-N -1 1 302.747 0.173 20 0 DCADMM CN(Cc1cnn(C)c1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591151266 1167117968 /nfs/dbraw/zinc/11/79/68/1167117968.db2.gz KOUDKOYCYGMPPR-UHFFFAOYSA-N -1 1 303.351 0.934 20 0 DCADMM CN(Cc1cnn(C)c1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591151266 1167117971 /nfs/dbraw/zinc/11/79/71/1167117971.db2.gz KOUDKOYCYGMPPR-UHFFFAOYSA-N -1 1 303.351 0.934 20 0 DCADMM CN1CC[C@H](COC(=O)c2cccc(F)c2-c2nnn[n-]2)C1=O ZINC001591179476 1167133481 /nfs/dbraw/zinc/13/34/81/1167133481.db2.gz QMDCIUYKHKZJIQ-MRVPVSSYSA-N -1 1 319.296 0.641 20 0 DCADMM CN1CC[C@H](COC(=O)c2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001591179476 1167133483 /nfs/dbraw/zinc/13/34/83/1167133483.db2.gz QMDCIUYKHKZJIQ-MRVPVSSYSA-N -1 1 319.296 0.641 20 0 DCADMM CNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001591200045 1167147872 /nfs/dbraw/zinc/14/78/72/1167147872.db2.gz BPKUYQJFCUPMOB-ZDUSSCGKSA-N -1 1 304.310 0.058 20 0 DCADMM CNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591200045 1167147874 /nfs/dbraw/zinc/14/78/74/1167147874.db2.gz BPKUYQJFCUPMOB-ZDUSSCGKSA-N -1 1 304.310 0.058 20 0 DCADMM CNC(=O)[C@@]1(C)CCN(c2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001591201241 1167147904 /nfs/dbraw/zinc/14/79/04/1167147904.db2.gz BXADYELUBNBKJR-AWEZNQCLSA-N -1 1 301.354 0.533 20 0 DCADMM CNC(=O)[C@@]1(C)CCN(c2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001591201241 1167147907 /nfs/dbraw/zinc/14/79/07/1167147907.db2.gz BXADYELUBNBKJR-AWEZNQCLSA-N -1 1 301.354 0.533 20 0 DCADMM CNC(=O)CCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591207822 1167155381 /nfs/dbraw/zinc/15/53/81/1167155381.db2.gz DHWQQWQNWXMWDL-UHFFFAOYSA-N -1 1 301.763 0.549 20 0 DCADMM COC(=O)C(=O)CCCOC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591225858 1167166675 /nfs/dbraw/zinc/16/66/75/1167166675.db2.gz CFJXUXXJZIROCH-UHFFFAOYSA-N -1 1 324.318 0.607 20 0 DCADMM COC(=O)C(=O)CCCOC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591225858 1167166676 /nfs/dbraw/zinc/16/66/76/1167166676.db2.gz CFJXUXXJZIROCH-UHFFFAOYSA-N -1 1 324.318 0.607 20 0 DCADMM COC(=O)[C@H](CC1CC1)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591231929 1167168633 /nfs/dbraw/zinc/16/86/33/1167168633.db2.gz NTLVNGFITLEDMY-JTQLQIEISA-N -1 1 303.326 0.719 20 0 DCADMM COC(=O)[C@H](CC1CC1)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591231929 1167168635 /nfs/dbraw/zinc/16/86/35/1167168635.db2.gz NTLVNGFITLEDMY-JTQLQIEISA-N -1 1 303.326 0.719 20 0 DCADMM COC(=O)[C@@H](CF)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591231227 1167168964 /nfs/dbraw/zinc/16/89/64/1167168964.db2.gz FWXDTRZOXYPDJP-MRVPVSSYSA-N -1 1 311.248 0.247 20 0 DCADMM COC(=O)[C@@H](CF)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591231227 1167168967 /nfs/dbraw/zinc/16/89/67/1167168967.db2.gz FWXDTRZOXYPDJP-MRVPVSSYSA-N -1 1 311.248 0.247 20 0 DCADMM COC(=O)C1(C)CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001591244026 1167173428 /nfs/dbraw/zinc/17/34/28/1167173428.db2.gz HHBAZEMSTCWPOP-UHFFFAOYSA-N -1 1 308.729 0.914 20 0 DCADMM COC(=O)C1(C)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001591244026 1167173431 /nfs/dbraw/zinc/17/34/31/1167173431.db2.gz HHBAZEMSTCWPOP-UHFFFAOYSA-N -1 1 308.729 0.914 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001591249916 1167176874 /nfs/dbraw/zinc/17/68/74/1167176874.db2.gz IVJBPOCEIZGFIQ-PTRXPTGYSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001591249916 1167176877 /nfs/dbraw/zinc/17/68/77/1167176877.db2.gz IVJBPOCEIZGFIQ-PTRXPTGYSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)C[C@H](C)N(OC)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591258359 1167181256 /nfs/dbraw/zinc/18/12/56/1167181256.db2.gz HUQRFNLSRKNSNY-ZETCQYMHSA-N -1 1 309.282 0.415 20 0 DCADMM COC(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591271367 1167190350 /nfs/dbraw/zinc/19/03/50/1167190350.db2.gz NIMFVOVMOVLBKB-UHFFFAOYSA-N -1 1 322.325 0.538 20 0 DCADMM COC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591271367 1167190354 /nfs/dbraw/zinc/19/03/54/1167190354.db2.gz NIMFVOVMOVLBKB-UHFFFAOYSA-N -1 1 322.325 0.538 20 0 DCADMM COC(=O)NCCOC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591274953 1167193815 /nfs/dbraw/zinc/19/38/15/1167193815.db2.gz FEOCIZQHOPWRIO-UHFFFAOYSA-N -1 1 309.257 0.519 20 0 DCADMM COC(=O)NCCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591274953 1167193820 /nfs/dbraw/zinc/19/38/20/1167193820.db2.gz FEOCIZQHOPWRIO-UHFFFAOYSA-N -1 1 309.257 0.519 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC001591278714 1167196088 /nfs/dbraw/zinc/19/60/88/1167196088.db2.gz FRHJLYJIUJOCRS-NKWVEPMBSA-N -1 1 322.350 0.851 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC001591278714 1167196093 /nfs/dbraw/zinc/19/60/93/1167196093.db2.gz FRHJLYJIUJOCRS-NKWVEPMBSA-N -1 1 322.350 0.851 20 0 DCADMM COC(=O)[C@@H]1[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1(F)F ZINC001591282046 1167198744 /nfs/dbraw/zinc/19/87/44/1167198744.db2.gz FDACYVGLAUXKQF-XNCJUZBTSA-N -1 1 311.252 0.123 20 0 DCADMM COC(=O)[C@@H]1[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1(F)F ZINC001591282046 1167198748 /nfs/dbraw/zinc/19/87/48/1167198748.db2.gz FDACYVGLAUXKQF-XNCJUZBTSA-N -1 1 311.252 0.123 20 0 DCADMM COC(=O)c1ccc(CNc2cc(-c3nnn[n-]3)ncn2)o1 ZINC001591292136 1167202513 /nfs/dbraw/zinc/20/25/13/1167202513.db2.gz JAABKQUFXPFTQW-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM COC(=O)c1ccc(CNc2cc(-c3nn[n-]n3)ncn2)o1 ZINC001591292136 1167202520 /nfs/dbraw/zinc/20/25/20/1167202520.db2.gz JAABKQUFXPFTQW-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM COC(=O)c1ccc(N[C@H]2CO[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001591296390 1167202622 /nfs/dbraw/zinc/20/26/22/1167202622.db2.gz VEGHJNNBKYYNLF-JGVFFNPUSA-N -1 1 304.310 0.638 20 0 DCADMM COC(=O)c1ccc(N[C@H]2CO[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001591296390 1167202629 /nfs/dbraw/zinc/20/26/29/1167202629.db2.gz VEGHJNNBKYYNLF-JGVFFNPUSA-N -1 1 304.310 0.638 20 0 DCADMM COC(=O)c1ccc(N2CCC[C@@H](OC)C2)c(-c2nnn[n-]2)n1 ZINC001591294150 1167204063 /nfs/dbraw/zinc/20/40/63/1167204063.db2.gz BKOXSENNQFUDND-SECBINFHSA-N -1 1 318.337 0.664 20 0 DCADMM COC(=O)c1ccc(N2CCC[C@@H](OC)C2)c(-c2nn[n-]n2)n1 ZINC001591294150 1167204071 /nfs/dbraw/zinc/20/40/71/1167204071.db2.gz BKOXSENNQFUDND-SECBINFHSA-N -1 1 318.337 0.664 20 0 DCADMM CO[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCOC1 ZINC001591310019 1167209878 /nfs/dbraw/zinc/20/98/78/1167209878.db2.gz GNMPGSYIJLEKPG-SKDRFNHKSA-N -1 1 318.337 0.276 20 0 DCADMM CO[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCOC1 ZINC001591310019 1167209884 /nfs/dbraw/zinc/20/98/84/1167209884.db2.gz GNMPGSYIJLEKPG-SKDRFNHKSA-N -1 1 318.337 0.276 20 0 DCADMM COC1(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCCC1 ZINC001591341365 1167222838 /nfs/dbraw/zinc/22/28/38/1167222838.db2.gz HJMZYXLAGQUZJG-UHFFFAOYSA-N -1 1 320.353 0.781 20 0 DCADMM COC1(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCCC1 ZINC001591341365 1167222842 /nfs/dbraw/zinc/22/28/42/1167222842.db2.gz HJMZYXLAGQUZJG-UHFFFAOYSA-N -1 1 320.353 0.781 20 0 DCADMM COC1(CNC(=O)c2cc(-c3nnn[n-]3)oc2C)CCOCC1 ZINC001591342937 1167224918 /nfs/dbraw/zinc/22/49/18/1167224918.db2.gz UDUBESATKUXCEA-UHFFFAOYSA-N -1 1 321.337 0.694 20 0 DCADMM COC1(CNC(=O)c2cc(-c3nn[n-]n3)oc2C)CCOCC1 ZINC001591342937 1167224927 /nfs/dbraw/zinc/22/49/27/1167224927.db2.gz UDUBESATKUXCEA-UHFFFAOYSA-N -1 1 321.337 0.694 20 0 DCADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591345847 1167225209 /nfs/dbraw/zinc/22/52/09/1167225209.db2.gz MYASTUKCHPRUBC-BSFRTMCYSA-N -1 1 313.365 0.825 20 0 DCADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591345847 1167225218 /nfs/dbraw/zinc/22/52/18/1167225218.db2.gz MYASTUKCHPRUBC-BSFRTMCYSA-N -1 1 313.365 0.825 20 0 DCADMM COC1(CO)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001591343803 1167225813 /nfs/dbraw/zinc/22/58/13/1167225813.db2.gz HJFBGALFNUDMJU-UHFFFAOYSA-N -1 1 307.310 0.073 20 0 DCADMM COC1(CO)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001591343803 1167225822 /nfs/dbraw/zinc/22/58/22/1167225822.db2.gz HJFBGALFNUDMJU-UHFFFAOYSA-N -1 1 307.310 0.073 20 0 DCADMM CO[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591354963 1167232052 /nfs/dbraw/zinc/23/20/52/1167232052.db2.gz SBXQWWUIQOYVSF-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM CO[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591354963 1167232055 /nfs/dbraw/zinc/23/20/55/1167232055.db2.gz SBXQWWUIQOYVSF-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001591354935 1167232161 /nfs/dbraw/zinc/23/21/61/1167232161.db2.gz MBQUUKFQDAQAPY-CKYFFXLPSA-N -1 1 319.369 0.635 20 0 DCADMM CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001591354935 1167232163 /nfs/dbraw/zinc/23/21/63/1167232163.db2.gz MBQUUKFQDAQAPY-CKYFFXLPSA-N -1 1 319.369 0.635 20 0 DCADMM CO[C@@H]1COCC[C@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591360822 1167234980 /nfs/dbraw/zinc/23/49/80/1167234980.db2.gz JMBRVXJIWABVRL-RKDXNWHRSA-N -1 1 323.378 0.804 20 0 DCADMM CO[C@@H]1COCC[C@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591360822 1167234990 /nfs/dbraw/zinc/23/49/90/1167234990.db2.gz JMBRVXJIWABVRL-RKDXNWHRSA-N -1 1 323.378 0.804 20 0 DCADMM CO[C@@H]1COCC[C@H]1N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591362759 1167235384 /nfs/dbraw/zinc/23/53/84/1167235384.db2.gz QFIKRHHAQRMYMU-MWLCHTKSSA-N -1 1 307.310 0.336 20 0 DCADMM CO[C@@H]1COCC[C@H]1N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591362759 1167235391 /nfs/dbraw/zinc/23/53/91/1167235391.db2.gz QFIKRHHAQRMYMU-MWLCHTKSSA-N -1 1 307.310 0.336 20 0 DCADMM CO[C@H]1COCC[C@@H]1N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591362760 1167237124 /nfs/dbraw/zinc/23/71/24/1167237124.db2.gz QFIKRHHAQRMYMU-ONGXEEELSA-N -1 1 307.310 0.336 20 0 DCADMM CO[C@H]1COCC[C@@H]1N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591362760 1167237127 /nfs/dbraw/zinc/23/71/27/1167237127.db2.gz QFIKRHHAQRMYMU-ONGXEEELSA-N -1 1 307.310 0.336 20 0 DCADMM CO[C@@H]1COCC[C@H]1N(C)c1nc(-c2nnn[n-]2)ccc1C ZINC001591361095 1167237424 /nfs/dbraw/zinc/23/74/24/1167237424.db2.gz JCXOXGFFNSMDRX-VXGBXAGGSA-N -1 1 304.354 0.810 20 0 DCADMM CO[C@@H]1COCC[C@H]1N(C)c1nc(-c2nn[n-]n2)ccc1C ZINC001591361095 1167237428 /nfs/dbraw/zinc/23/74/28/1167237428.db2.gz JCXOXGFFNSMDRX-VXGBXAGGSA-N -1 1 304.354 0.810 20 0 DCADMM CO[C@@H]1CN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)CC[C@H]1C ZINC001591363086 1167237506 /nfs/dbraw/zinc/23/75/06/1167237506.db2.gz SINMBZXFTHPXRE-ZYHUDNBSSA-N -1 1 318.381 0.651 20 0 DCADMM COC[C@H](O)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591380725 1167248995 /nfs/dbraw/zinc/24/89/95/1167248995.db2.gz JBJFIPQTNMOPJE-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM COC[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC001591382540 1167251947 /nfs/dbraw/zinc/25/19/47/1167251947.db2.gz UXUIJWQOJPUNEY-GXSJLCMTSA-N -1 1 321.337 0.631 20 0 DCADMM COC[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC001591382540 1167251952 /nfs/dbraw/zinc/25/19/52/1167251952.db2.gz UXUIJWQOJPUNEY-GXSJLCMTSA-N -1 1 321.337 0.631 20 0 DCADMM COC[C@H](O)CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591381081 1167253065 /nfs/dbraw/zinc/25/30/65/1167253065.db2.gz ULEGCCYFKCCVOM-SECBINFHSA-N -1 1 305.342 0.343 20 0 DCADMM COC[C@H](O)CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591381081 1167253072 /nfs/dbraw/zinc/25/30/72/1167253072.db2.gz ULEGCCYFKCCVOM-SECBINFHSA-N -1 1 305.342 0.343 20 0 DCADMM COC[C@H]1CCCN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)C1 ZINC001591392998 1167260485 /nfs/dbraw/zinc/26/04/85/1167260485.db2.gz RGLJEPCXLZVEGA-LBPRGKRZSA-N -1 1 318.381 0.653 20 0 DCADMM COC[C@@H]1CCCN1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591393427 1167261986 /nfs/dbraw/zinc/26/19/86/1167261986.db2.gz BVKUPPQWIPMVOI-VIFPVBQESA-N -1 1 320.328 0.761 20 0 DCADMM COC[C@@H]1CCCN1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591393427 1167261993 /nfs/dbraw/zinc/26/19/93/1167261993.db2.gz BVKUPPQWIPMVOI-VIFPVBQESA-N -1 1 320.328 0.761 20 0 DCADMM COCC[C@@H](C)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001591398438 1167267801 /nfs/dbraw/zinc/26/78/01/1167267801.db2.gz FMQXIJAZPVLCQM-MRVPVSSYSA-N -1 1 306.326 0.431 20 0 DCADMM COCC[C@@H]1COCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001591403019 1167268412 /nfs/dbraw/zinc/26/84/12/1167268412.db2.gz JDVZRWVNOIBIHH-GFCCVEGCSA-N -1 1 304.354 0.499 20 0 DCADMM COCC[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(N)=O ZINC001591399998 1167269731 /nfs/dbraw/zinc/26/97/31/1167269731.db2.gz IRLUBBCURUSBFA-SCSAIBSYSA-N -1 1 317.762 0.279 20 0 DCADMM COCCCN(CCO)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591414191 1167273312 /nfs/dbraw/zinc/27/33/12/1167273312.db2.gz IOJDGBMCLOUHED-UHFFFAOYSA-N -1 1 321.341 0.124 20 0 DCADMM COCCCN(CCO)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591414191 1167273318 /nfs/dbraw/zinc/27/33/18/1167273318.db2.gz IOJDGBMCLOUHED-UHFFFAOYSA-N -1 1 321.341 0.124 20 0 DCADMM COCCCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591415290 1167274727 /nfs/dbraw/zinc/27/47/27/1167274727.db2.gz BYOYYNQLKJHHKT-MRVPVSSYSA-N -1 1 323.309 0.158 20 0 DCADMM COCCn1cc(-c2cnc(-c3nn[n-]n3)nc2OC)cn1 ZINC001591449048 1167290306 /nfs/dbraw/zinc/29/03/06/1167290306.db2.gz PHRYGPBXQUTZKU-UHFFFAOYSA-N -1 1 302.298 0.175 20 0 DCADMM CO[C@@H]1C[C@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001591472353 1167301710 /nfs/dbraw/zinc/30/17/10/1167301710.db2.gz PBJASRNAGOHPHB-PRHODGIISA-N -1 1 300.322 0.576 20 0 DCADMM CO[C@@H]1C[C@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001591472353 1167301713 /nfs/dbraw/zinc/30/17/13/1167301713.db2.gz PBJASRNAGOHPHB-PRHODGIISA-N -1 1 300.322 0.576 20 0 DCADMM CO[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591469076 1167302485 /nfs/dbraw/zinc/30/24/85/1167302485.db2.gz JIZVFRBMQOVSGJ-PSASIEDQSA-N -1 1 303.326 0.951 20 0 DCADMM CO[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591469076 1167302490 /nfs/dbraw/zinc/30/24/90/1167302490.db2.gz JIZVFRBMQOVSGJ-PSASIEDQSA-N -1 1 303.326 0.951 20 0 DCADMM CO[C@@H]1C[C@H](OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1(C)C ZINC001591472443 1167305414 /nfs/dbraw/zinc/30/54/14/1167305414.db2.gz WCUTWVSGOHIEDY-HLTSFMKQSA-N -1 1 321.341 0.376 20 0 DCADMM COc1cc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)ncn1 ZINC001591505692 1167314455 /nfs/dbraw/zinc/31/44/55/1167314455.db2.gz CMBNAORVQMIICF-UHFFFAOYSA-N -1 1 312.249 0.975 20 0 DCADMM COc1cc(C)sc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001591522522 1167323557 /nfs/dbraw/zinc/32/35/57/1167323557.db2.gz LNKGTHWUWRYHGO-UHFFFAOYSA-N -1 1 305.323 0.712 20 0 DCADMM COc1ncc(NC(=O)c2ccn(C)n2)cc1-c1nn[n-]n1 ZINC001591667711 1167345688 /nfs/dbraw/zinc/34/56/88/1167345688.db2.gz FJZQSDYPRUIFBI-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM CS(=O)(=O)CC1(CNc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001591672890 1167348778 /nfs/dbraw/zinc/34/87/78/1167348778.db2.gz HMEMWXPYLJFCNI-UHFFFAOYSA-N -1 1 322.394 0.310 20 0 DCADMM CS(=O)(=O)CC1(CNc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001591672890 1167348784 /nfs/dbraw/zinc/34/87/84/1167348784.db2.gz HMEMWXPYLJFCNI-UHFFFAOYSA-N -1 1 322.394 0.310 20 0 DCADMM CS[C@@H](CO)[C@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591690365 1167354507 /nfs/dbraw/zinc/35/45/07/1167354507.db2.gz OOYXMSKQUXCUQE-XVKPBYJWSA-N -1 1 323.382 0.496 20 0 DCADMM CS[C@@H](CO)[C@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591690365 1167354510 /nfs/dbraw/zinc/35/45/10/1167354510.db2.gz OOYXMSKQUXCUQE-XVKPBYJWSA-N -1 1 323.382 0.496 20 0 DCADMM C[C@@H](CNC(=O)OC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001591723461 1167361447 /nfs/dbraw/zinc/36/14/47/1167361447.db2.gz LRIRENMHJFOKQA-QMMMGPOBSA-N -1 1 320.357 0.404 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCCF ZINC001591764093 1167369495 /nfs/dbraw/zinc/36/94/95/1167369495.db2.gz CSEWUOORSHIKBX-MRVPVSSYSA-N -1 1 308.321 0.323 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCCF ZINC001591764093 1167369499 /nfs/dbraw/zinc/36/94/99/1167369499.db2.gz CSEWUOORSHIKBX-MRVPVSSYSA-N -1 1 308.321 0.323 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001591776303 1167373272 /nfs/dbraw/zinc/37/32/72/1167373272.db2.gz GTYNMKHHUIXWKC-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001591776303 1167373282 /nfs/dbraw/zinc/37/32/82/1167373282.db2.gz GTYNMKHHUIXWKC-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCCOC(C)C ZINC001591835976 1167391402 /nfs/dbraw/zinc/39/14/02/1167391402.db2.gz RDLUOEJUUDTEED-UHFFFAOYSA-N -1 1 320.353 0.821 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCC[C@@H]2O)n1 ZINC001591883235 1167408684 /nfs/dbraw/zinc/40/86/84/1167408684.db2.gz DBTIHIJRUBHMFO-PWSUYJOCSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCC[C@@H]2O)n1 ZINC001591883235 1167408687 /nfs/dbraw/zinc/40/86/87/1167408687.db2.gz DBTIHIJRUBHMFO-PWSUYJOCSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H](O)C(F)(F)F)n1 ZINC001591883535 1167409925 /nfs/dbraw/zinc/40/99/25/1167409925.db2.gz TWWVXIVTLRFKMZ-ZETCQYMHSA-N -1 1 303.248 0.325 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H](O)C(F)(F)F)n1 ZINC001591883535 1167409930 /nfs/dbraw/zinc/40/99/30/1167409930.db2.gz TWWVXIVTLRFKMZ-ZETCQYMHSA-N -1 1 303.248 0.325 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(CNC(=O)O3)CC2)n1 ZINC001591886756 1167410428 /nfs/dbraw/zinc/41/04/28/1167410428.db2.gz CWVXZBCODXTEKI-UHFFFAOYSA-N -1 1 316.325 0.044 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(CNC(=O)O3)CC2)n1 ZINC001591886756 1167410431 /nfs/dbraw/zinc/41/04/31/1167410431.db2.gz CWVXZBCODXTEKI-UHFFFAOYSA-N -1 1 316.325 0.044 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(c3cnccn3)CC2)n1 ZINC001591888425 1167411522 /nfs/dbraw/zinc/41/15/22/1167411522.db2.gz MDYZJLMVZWWDLX-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(c3cnccn3)CC2)n1 ZINC001591888425 1167411524 /nfs/dbraw/zinc/41/15/24/1167411524.db2.gz MDYZJLMVZWWDLX-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCNC(=O)[C@@H]2CC(C)C)n1 ZINC001591887737 1167411725 /nfs/dbraw/zinc/41/17/25/1167411725.db2.gz GCEPEBZNAAEOLO-NSHDSACASA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCNC(=O)[C@@H]2CC(C)C)n1 ZINC001591887737 1167411728 /nfs/dbraw/zinc/41/17/28/1167411728.db2.gz GCEPEBZNAAEOLO-NSHDSACASA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(c3ccccc3)C2=O)n1 ZINC001591893386 1167412526 /nfs/dbraw/zinc/41/25/26/1167412526.db2.gz DSGDCHXERXFFSO-LBPRGKRZSA-N -1 1 322.332 0.792 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(c3ccccc3)C2=O)n1 ZINC001591893386 1167412529 /nfs/dbraw/zinc/41/25/29/1167412529.db2.gz DSGDCHXERXFFSO-LBPRGKRZSA-N -1 1 322.332 0.792 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CC3(C2)OCCO3)n1 ZINC001591895133 1167412685 /nfs/dbraw/zinc/41/26/85/1167412685.db2.gz SODMNVPAPDOFBI-UHFFFAOYSA-N -1 1 303.326 0.530 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CC3(C2)OCCO3)n1 ZINC001591895133 1167412687 /nfs/dbraw/zinc/41/26/87/1167412687.db2.gz SODMNVPAPDOFBI-UHFFFAOYSA-N -1 1 303.326 0.530 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCO[C@]3(CCOC3)C2)n1 ZINC001591893862 1167412728 /nfs/dbraw/zinc/41/27/28/1167412728.db2.gz UFTSVJFRNPQUIX-QMTHXVAHSA-N -1 1 317.353 0.715 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCO[C@]3(CCOC3)C2)n1 ZINC001591893862 1167412736 /nfs/dbraw/zinc/41/27/36/1167412736.db2.gz UFTSVJFRNPQUIX-QMTHXVAHSA-N -1 1 317.353 0.715 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCS(=O)(=O)[C@H](C)C2)n1 ZINC001591893711 1167413739 /nfs/dbraw/zinc/41/37/39/1167413739.db2.gz QRYUQRTUSWAUJZ-BDAKNGLRSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCS(=O)(=O)[C@H](C)C2)n1 ZINC001591893711 1167413743 /nfs/dbraw/zinc/41/37/43/1167413743.db2.gz QRYUQRTUSWAUJZ-BDAKNGLRSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ncc3c(n2)CCC3)n1 ZINC001591901235 1167416685 /nfs/dbraw/zinc/41/66/85/1167416685.db2.gz SVAVYFANMQTAMO-UHFFFAOYSA-N -1 1 309.337 0.856 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ncc3c(n2)CCC3)n1 ZINC001591901235 1167416691 /nfs/dbraw/zinc/41/66/91/1167416691.db2.gz SVAVYFANMQTAMO-UHFFFAOYSA-N -1 1 309.337 0.856 20 0 DCADMM Cc1cc(C)n(CC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)n1 ZINC001591956304 1167424984 /nfs/dbraw/zinc/42/49/84/1167424984.db2.gz SWZATNPHHVVNDO-UHFFFAOYSA-N -1 1 301.314 0.350 20 0 DCADMM Cc1cc(C)n(CCC(=O)n2ncc(-c3nn[n-]n3)c2N)n1 ZINC001591956215 1167426388 /nfs/dbraw/zinc/42/63/88/1167426388.db2.gz KHCBKNVOEPHIRP-UHFFFAOYSA-N -1 1 301.314 0.189 20 0 DCADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N[C@@H](C)CF ZINC001591988776 1167431318 /nfs/dbraw/zinc/43/13/18/1167431318.db2.gz KGUUSPDSPUATGO-ZETCQYMHSA-N -1 1 317.321 0.951 20 0 DCADMM Cc1cc(N2CCS(=O)(=O)C[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592009249 1167435372 /nfs/dbraw/zinc/43/53/72/1167435372.db2.gz TUMJTNFVOPDBJV-VIFPVBQESA-N -1 1 322.394 0.441 20 0 DCADMM Cc1cc(N2CCS(=O)(=O)C[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592009249 1167435377 /nfs/dbraw/zinc/43/53/77/1167435377.db2.gz TUMJTNFVOPDBJV-VIFPVBQESA-N -1 1 322.394 0.441 20 0 DCADMM Cc1cc(N[C@@H](CO)C[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001592035673 1167441350 /nfs/dbraw/zinc/44/13/50/1167441350.db2.gz LGAWIQMADBLZEQ-NEPJUHHUSA-N -1 1 304.354 0.334 20 0 DCADMM Cc1cc(N[C@@H](CO)C[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001592035673 1167441356 /nfs/dbraw/zinc/44/13/56/1167441356.db2.gz LGAWIQMADBLZEQ-NEPJUHHUSA-N -1 1 304.354 0.334 20 0 DCADMM Cc1cc(N[C@H](C)CCS(C)(=O)=O)cc(-c2nnn[n-]2)n1 ZINC001592034844 1167441540 /nfs/dbraw/zinc/44/15/40/1167441540.db2.gz RYEFENFBJQYZOZ-MRVPVSSYSA-N -1 1 310.383 0.805 20 0 DCADMM Cc1cc(N[C@H](C)CCS(C)(=O)=O)cc(-c2nn[n-]n2)n1 ZINC001592034844 1167441542 /nfs/dbraw/zinc/44/15/42/1167441542.db2.gz RYEFENFBJQYZOZ-MRVPVSSYSA-N -1 1 310.383 0.805 20 0 DCADMM Cc1cc(N[C@@H](CO)C[C@H](O)C(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592035723 1167442588 /nfs/dbraw/zinc/44/25/88/1167442588.db2.gz PQVMLBXJHAIOAJ-YPMHNXCESA-N -1 1 320.397 0.562 20 0 DCADMM Cc1cc(N[C@@H](CO)C[C@H](O)C(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592035723 1167442589 /nfs/dbraw/zinc/44/25/89/1167442589.db2.gz PQVMLBXJHAIOAJ-YPMHNXCESA-N -1 1 320.397 0.562 20 0 DCADMM Cc1cc(NCCC(=O)N2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001592047068 1167443522 /nfs/dbraw/zinc/44/35/22/1167443522.db2.gz OXLVQFASDVSLMY-UHFFFAOYSA-N -1 1 317.353 0.231 20 0 DCADMM Cc1cc(NCCC(=O)N2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001592047068 1167443525 /nfs/dbraw/zinc/44/35/25/1167443525.db2.gz OXLVQFASDVSLMY-UHFFFAOYSA-N -1 1 317.353 0.231 20 0 DCADMM Cc1cc(NC[C@H](O)COCC2CC2)nc(-c2nnn[n-]2)c1 ZINC001592041614 1167443555 /nfs/dbraw/zinc/44/35/55/1167443555.db2.gz OXADMLMHHOWXPB-NSHDSACASA-N -1 1 304.354 0.770 20 0 DCADMM Cc1cc(NC[C@H](O)COCC2CC2)nc(-c2nn[n-]n2)c1 ZINC001592041614 1167443558 /nfs/dbraw/zinc/44/35/58/1167443558.db2.gz OXADMLMHHOWXPB-NSHDSACASA-N -1 1 304.354 0.770 20 0 DCADMM Cc1cc(NCC2(S(C)(=O)=O)CCC2)nc(-c2nnn[n-]2)c1 ZINC001592042713 1167443897 /nfs/dbraw/zinc/44/38/97/1167443897.db2.gz MURXROJXJKLGBB-UHFFFAOYSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1cc(NCC2(S(C)(=O)=O)CCC2)nc(-c2nn[n-]n2)c1 ZINC001592042713 1167443900 /nfs/dbraw/zinc/44/39/00/1167443900.db2.gz MURXROJXJKLGBB-UHFFFAOYSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1cc(N[C@H]2COc3ccccc3[C@H]2O)cc(-c2nnn[n-]2)n1 ZINC001592040482 1167445097 /nfs/dbraw/zinc/44/50/97/1167445097.db2.gz ZCCDDSBIRXIERZ-DZGCQCFKSA-N -1 1 324.344 0.899 20 0 DCADMM Cc1cc(N[C@H]2COc3ccccc3[C@H]2O)cc(-c2nn[n-]n2)n1 ZINC001592040482 1167445102 /nfs/dbraw/zinc/44/51/02/1167445102.db2.gz ZCCDDSBIRXIERZ-DZGCQCFKSA-N -1 1 324.344 0.899 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](O)C1CCOCC1 ZINC001592112897 1167458851 /nfs/dbraw/zinc/45/88/51/1167458851.db2.gz BJCDOJBQLSNWLU-LBPRGKRZSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1ccc(NC[C@H]2CCCCS2(=O)=O)nc1-c1nnn[n-]1 ZINC001592183342 1167470223 /nfs/dbraw/zinc/47/02/23/1167470223.db2.gz QICDZNGPTKOSOF-SNVBAGLBSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(NC[C@H]2CCCCS2(=O)=O)nc1-c1nn[n-]n1 ZINC001592183342 1167470226 /nfs/dbraw/zinc/47/02/26/1167470226.db2.gz QICDZNGPTKOSOF-SNVBAGLBSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1[nH]nc(NC(=O)Cn2ccc(C)cc2=O)c1-c1nn[n-]n1 ZINC001592265157 1167480150 /nfs/dbraw/zinc/48/01/50/1167480150.db2.gz BLFARPVEDRELIL-UHFFFAOYSA-N -1 1 314.309 0.007 20 0 DCADMM Cc1ccn(CN2CC(OC(C)(C)C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592267273 1167481032 /nfs/dbraw/zinc/48/10/32/1167481032.db2.gz NYDOLGPQKQLULQ-UHFFFAOYSA-N -1 1 318.381 0.794 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccnc(F)c2F)c1-c1nn[n-]n1 ZINC001592332838 1167491738 /nfs/dbraw/zinc/49/17/38/1167491738.db2.gz SBZDAZYLCVNPBU-UHFFFAOYSA-N -1 1 306.236 0.824 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC([C@@H](F)C(N)=O)CC2)n1 ZINC001592337579 1167493591 /nfs/dbraw/zinc/49/35/91/1167493591.db2.gz LANOPTGUMDWMCQ-LLVKDONJSA-N -1 1 320.332 0.005 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC([C@@H](F)C(N)=O)CC2)n1 ZINC001592337579 1167493594 /nfs/dbraw/zinc/49/35/94/1167493594.db2.gz LANOPTGUMDWMCQ-LLVKDONJSA-N -1 1 320.332 0.005 20 0 DCADMM Cc1nc([C@@H](C)OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)no1 ZINC001592353363 1167502428 /nfs/dbraw/zinc/50/24/28/1167502428.db2.gz CUQPRYAJMIJJQO-PHDIDXHHSA-N -1 1 319.285 0.015 20 0 DCADMM Cc1nc(NC[C@H](CO)Cc2ccco2)cc(-c2nnn[n-]2)n1 ZINC001592384836 1167510124 /nfs/dbraw/zinc/51/01/24/1167510124.db2.gz SXUQGKZJSZSXFQ-SNVBAGLBSA-N -1 1 315.337 0.821 20 0 DCADMM Cc1nc(NC[C@H](CO)Cc2ccco2)cc(-c2nn[n-]n2)n1 ZINC001592384836 1167510130 /nfs/dbraw/zinc/51/01/30/1167510130.db2.gz SXUQGKZJSZSXFQ-SNVBAGLBSA-N -1 1 315.337 0.821 20 0 DCADMM Cc1ncc2c(n1)CC[C@@H](Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001592412102 1167514111 /nfs/dbraw/zinc/51/41/11/1167514111.db2.gz DWMDJZVRTIYCIZ-SNVBAGLBSA-N -1 1 309.337 0.725 20 0 DCADMM Cc1ncc2c(n1)CC[C@@H](Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001592412102 1167514116 /nfs/dbraw/zinc/51/41/16/1167514116.db2.gz DWMDJZVRTIYCIZ-SNVBAGLBSA-N -1 1 309.337 0.725 20 0 DCADMM Cc1nc2ccccc2n1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592405223 1167514719 /nfs/dbraw/zinc/51/47/19/1167514719.db2.gz WUSIEZVOQCKPCB-UHFFFAOYSA-N -1 1 323.320 0.887 20 0 DCADMM Cc1nn(C)c(NC(=O)CC2OCCCO2)c1-c1nnn[n-]1 ZINC001592433466 1167520269 /nfs/dbraw/zinc/52/02/69/1167520269.db2.gz ABEOVAWMLPFFIR-UHFFFAOYSA-N -1 1 307.314 0.000 20 0 DCADMM Cc1nn(C)c(NC(=O)CC2OCCCO2)c1-c1nn[n-]n1 ZINC001592433466 1167520274 /nfs/dbraw/zinc/52/02/74/1167520274.db2.gz ABEOVAWMLPFFIR-UHFFFAOYSA-N -1 1 307.314 0.000 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1-c1nnn[n-]1 ZINC001592434058 1167520540 /nfs/dbraw/zinc/52/05/40/1167520540.db2.gz OOFNDUBJBXBWKX-YIZRAAEISA-N -1 1 315.337 0.462 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1-c1nn[n-]n1 ZINC001592434058 1167520544 /nfs/dbraw/zinc/52/05/44/1167520544.db2.gz OOFNDUBJBXBWKX-YIZRAAEISA-N -1 1 315.337 0.462 20 0 DCADMM Cc1nn(CCCOC(F)(F)F)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436889 1167522573 /nfs/dbraw/zinc/52/25/73/1167522573.db2.gz FQCKBHWOAVPZTE-UHFFFAOYSA-N -1 1 318.259 0.967 20 0 DCADMM Cc1nn(COC(=O)OC(C)C)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437272 1167523740 /nfs/dbraw/zinc/52/37/40/1167523740.db2.gz QOTYEMUUVRYMCZ-UHFFFAOYSA-N -1 1 308.298 0.559 20 0 DCADMM Cc1nnc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)s1 ZINC001592444507 1167527177 /nfs/dbraw/zinc/52/71/77/1167527177.db2.gz VBYFEHSATLRVQK-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nnc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)s1 ZINC001592444507 1167527180 /nfs/dbraw/zinc/52/71/80/1167527180.db2.gz VBYFEHSATLRVQK-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1noc(CCC(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001592461704 1167529409 /nfs/dbraw/zinc/52/94/09/1167529409.db2.gz NNNONFAZEFTRHY-UHFFFAOYSA-N -1 1 300.282 0.524 20 0 DCADMM Cc1noc(CCC(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001592461704 1167529414 /nfs/dbraw/zinc/52/94/14/1167529414.db2.gz NNNONFAZEFTRHY-UHFFFAOYSA-N -1 1 300.282 0.524 20 0 DCADMM Cc1nsc(NCCCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC001592493034 1167536311 /nfs/dbraw/zinc/53/63/11/1167536311.db2.gz XXIBKGNWPHGCLO-UHFFFAOYSA-N -1 1 302.385 0.478 20 0 DCADMM Cc1nsc(NC(=O)NCc2ccn(C)n2)c1-c1nnn[n-]1 ZINC001592483486 1167538199 /nfs/dbraw/zinc/53/81/99/1167538199.db2.gz KWWLYQQCGYSQMA-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1nsc(NC(=O)NCc2ccn(C)n2)c1-c1nn[n-]n1 ZINC001592483486 1167538203 /nfs/dbraw/zinc/53/82/03/1167538203.db2.gz KWWLYQQCGYSQMA-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)C(=O)NC1CC1 ZINC001592501006 1167541640 /nfs/dbraw/zinc/54/16/40/1167541640.db2.gz GSVRJWGBHJNBKV-SSDOTTSWSA-N -1 1 305.294 0.592 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)C(=O)NC1CC1 ZINC001592501006 1167541645 /nfs/dbraw/zinc/54/16/45/1167541645.db2.gz GSVRJWGBHJNBKV-SSDOTTSWSA-N -1 1 305.294 0.592 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001592503396 1167543638 /nfs/dbraw/zinc/54/36/38/1167543638.db2.gz TZTXGFVDHMKWFT-SECBINFHSA-N -1 1 313.321 0.779 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001592503396 1167543645 /nfs/dbraw/zinc/54/36/45/1167543645.db2.gz TZTXGFVDHMKWFT-SECBINFHSA-N -1 1 313.321 0.779 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCS[C@@H]2C)c1-c1nnn[n-]1 ZINC001592517757 1167546694 /nfs/dbraw/zinc/54/66/94/1167546694.db2.gz OZJQVPZWGZTGDA-HTQZYQBOSA-N -1 1 308.367 0.716 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCS[C@@H]2C)c1-c1nn[n-]n1 ZINC001592517757 1167546698 /nfs/dbraw/zinc/54/66/98/1167546698.db2.gz OZJQVPZWGZTGDA-HTQZYQBOSA-N -1 1 308.367 0.716 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2C[C@H](O)C23CCC3)c1-c1nnn[n-]1 ZINC001592517587 1167547772 /nfs/dbraw/zinc/54/77/72/1167547772.db2.gz NAHSNRBLPOHWGN-UWVGGRQHSA-N -1 1 318.337 0.125 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2C[C@H](O)C23CCC3)c1-c1nn[n-]n1 ZINC001592517587 1167547774 /nfs/dbraw/zinc/54/77/74/1167547774.db2.gz NAHSNRBLPOHWGN-UWVGGRQHSA-N -1 1 318.337 0.125 20 0 DCADMM Cn1c(=O)[nH]c(NCC[C@@H]2CCCS2)c(-c2nn[n-]n2)c1=O ZINC001592545485 1167549455 /nfs/dbraw/zinc/54/94/55/1167549455.db2.gz ABZIRYVVMABILA-ZETCQYMHSA-N -1 1 323.382 0.364 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@]2(C)CCCS2)c(-c2nn[n-]n2)c1=O ZINC001592545658 1167551532 /nfs/dbraw/zinc/55/15/32/1167551532.db2.gz IOBLNSNLKOYDJU-LBPRGKRZSA-N -1 1 323.382 0.364 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CCCC(C)(C)O2)c1=O ZINC001592558128 1167557612 /nfs/dbraw/zinc/55/76/12/1167557612.db2.gz PONXQUFGUKBJIU-SECBINFHSA-N -1 1 320.353 0.075 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCC2CCOCC2)n1 ZINC001592560037 1167560780 /nfs/dbraw/zinc/56/07/80/1167560780.db2.gz UKPRKVSKLGTWOR-UHFFFAOYSA-N -1 1 320.357 0.538 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCC2CCOCC2)n1 ZINC001592560037 1167560784 /nfs/dbraw/zinc/56/07/84/1167560784.db2.gz UKPRKVSKLGTWOR-UHFFFAOYSA-N -1 1 320.357 0.538 20 0 DCADMM Cn1cccc1CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592584749 1167571071 /nfs/dbraw/zinc/57/10/71/1167571071.db2.gz ZRGYBYKOLCFKGP-UHFFFAOYSA-N -1 1 318.366 0.661 20 0 DCADMM Cn1cccc1CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592584749 1167571075 /nfs/dbraw/zinc/57/10/75/1167571075.db2.gz ZRGYBYKOLCFKGP-UHFFFAOYSA-N -1 1 318.366 0.661 20 0 DCADMM Cn1nc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1C(F)F ZINC001592593022 1167576244 /nfs/dbraw/zinc/57/62/44/1167576244.db2.gz JSNJGJMCBPZUKW-UHFFFAOYSA-N -1 1 309.240 0.513 20 0 DCADMM Cn1nc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1C(F)F ZINC001592593022 1167576250 /nfs/dbraw/zinc/57/62/50/1167576250.db2.gz JSNJGJMCBPZUKW-UHFFFAOYSA-N -1 1 309.240 0.513 20 0 DCADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1cc(-c2nnn[n-]2)ncn1 ZINC001592629763 1167587354 /nfs/dbraw/zinc/58/73/54/1167587354.db2.gz AEMRHRNDFMRVON-KCJUWKMLSA-N -1 1 309.280 0.883 20 0 DCADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1cc(-c2nn[n-]n2)ncn1 ZINC001592629763 1167587360 /nfs/dbraw/zinc/58/73/60/1167587360.db2.gz AEMRHRNDFMRVON-KCJUWKMLSA-N -1 1 309.280 0.883 20 0 DCADMM FC1=CCCN(Cc2cnc3c(-c4nnn[n-]4)cnn3c2)C1 ZINC001592631115 1167588665 /nfs/dbraw/zinc/58/86/65/1167588665.db2.gz QYYNJFAWJDXLBM-UHFFFAOYSA-N -1 1 300.301 0.969 20 0 DCADMM FC1=CCCN(Cc2cnc3c(-c4nn[n-]n4)cnn3c2)C1 ZINC001592631115 1167588670 /nfs/dbraw/zinc/58/86/70/1167588670.db2.gz QYYNJFAWJDXLBM-UHFFFAOYSA-N -1 1 300.301 0.969 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001592725945 1167617149 /nfs/dbraw/zinc/61/71/49/1167617149.db2.gz JRWHYZYRFYMSKX-VIFPVBQESA-N -1 1 318.337 0.577 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001592725945 1167617151 /nfs/dbraw/zinc/61/71/51/1167617151.db2.gz JRWHYZYRFYMSKX-VIFPVBQESA-N -1 1 318.337 0.577 20 0 DCADMM NC(=O)c1cccc(CCNc2ncncc2-c2nn[n-]n2)c1 ZINC001592736776 1167622658 /nfs/dbraw/zinc/62/26/58/1167622658.db2.gz FDNAYQAERWWUDM-UHFFFAOYSA-N -1 1 310.321 0.410 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(C(F)F)ncn1 ZINC001592752865 1167631498 /nfs/dbraw/zinc/63/14/98/1167631498.db2.gz CNJBWKRUDCLYFJ-UHFFFAOYSA-N -1 1 307.224 0.062 20 0 DCADMM O=C(/C=C/[C@H]1CCOC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592795259 1167642946 /nfs/dbraw/zinc/64/29/46/1167642946.db2.gz PQJGZZCLVZGWNT-YOLVWIGZSA-N -1 1 301.306 0.898 20 0 DCADMM O=C(/C=C/[C@H]1CCOC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592795259 1167642948 /nfs/dbraw/zinc/64/29/48/1167642948.db2.gz PQJGZZCLVZGWNT-YOLVWIGZSA-N -1 1 301.306 0.898 20 0 DCADMM O=C(/C=C/[C@@H]1CCOC1)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592794120 1167643073 /nfs/dbraw/zinc/64/30/73/1167643073.db2.gz HXZMHNSVUACDMC-FHKCNRDCSA-N -1 1 307.335 0.959 20 0 DCADMM O=C(/C=C/[C@@H]1CCOC1)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592794120 1167643080 /nfs/dbraw/zinc/64/30/80/1167643080.db2.gz HXZMHNSVUACDMC-FHKCNRDCSA-N -1 1 307.335 0.959 20 0 DCADMM O=C(CC1OCCCO1)OCc1cccnc1-c1nnn[n-]1 ZINC001592827177 1167647096 /nfs/dbraw/zinc/64/70/96/1167647096.db2.gz PPBCZNYABAYGFJ-UHFFFAOYSA-N -1 1 305.294 0.458 20 0 DCADMM O=C(CC1OCCCO1)OCc1cccnc1-c1nn[n-]n1 ZINC001592827177 1167647098 /nfs/dbraw/zinc/64/70/98/1167647098.db2.gz PPBCZNYABAYGFJ-UHFFFAOYSA-N -1 1 305.294 0.458 20 0 DCADMM O=C(COCC(F)F)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592887396 1167658305 /nfs/dbraw/zinc/65/83/05/1167658305.db2.gz VECFXPITXYGCAX-UHFFFAOYSA-N -1 1 313.268 0.687 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCCC1(O)CCC1 ZINC001592913636 1167662869 /nfs/dbraw/zinc/66/28/69/1167662869.db2.gz FLHCFWZYJQFDMS-UHFFFAOYSA-N -1 1 316.365 0.616 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCCC1(O)CCC1 ZINC001592913636 1167662875 /nfs/dbraw/zinc/66/28/75/1167662875.db2.gz FLHCFWZYJQFDMS-UHFFFAOYSA-N -1 1 316.365 0.616 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@@H]1CCC[C@H]1O ZINC001592913621 1167663503 /nfs/dbraw/zinc/66/35/03/1167663503.db2.gz DTRKHWXEMMVSPF-CMPLNLGQSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@@H]1CCC[C@H]1O ZINC001592913621 1167663506 /nfs/dbraw/zinc/66/35/06/1167663506.db2.gz DTRKHWXEMMVSPF-CMPLNLGQSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O)c1ccccc1F ZINC001592935150 1167667609 /nfs/dbraw/zinc/66/76/09/1167667609.db2.gz XLFOEQGUYVXLQP-UHFFFAOYSA-N -1 1 316.252 0.151 20 0 DCADMM O=C(Cn1ccn2ncc(-c3nn[n-]n3)c12)NCc1ccccc1 ZINC001592938144 1167668370 /nfs/dbraw/zinc/66/83/70/1167668370.db2.gz DEPMBYVTHTVUSB-UHFFFAOYSA-N -1 1 322.332 0.632 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)[C@@H]1Cc2ccccc21 ZINC001592941787 1167670001 /nfs/dbraw/zinc/67/00/01/1167670001.db2.gz WINZPIHGTBFWFH-LLVKDONJSA-N -1 1 308.301 0.332 20 0 DCADMM O=C(N[C@H](CO)[C@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001592954271 1167675056 /nfs/dbraw/zinc/67/50/56/1167675056.db2.gz XVBHNOZEDDRNRH-IONNQARKSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@@H]1CCCN(CCF)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592978330 1167678842 /nfs/dbraw/zinc/67/88/42/1167678842.db2.gz CMLPHWMTBXAMQF-SNVBAGLBSA-N -1 1 308.317 0.623 20 0 DCADMM O=C(N[C@@H]1CCCN(CCF)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592978330 1167678847 /nfs/dbraw/zinc/67/88/47/1167678847.db2.gz CMLPHWMTBXAMQF-SNVBAGLBSA-N -1 1 308.317 0.623 20 0 DCADMM O=C(N[C@@H]1CCCc2c[nH]nc21)c1cccc(-c2nn[n-]n2)n1 ZINC001592986053 1167679639 /nfs/dbraw/zinc/67/96/39/1167679639.db2.gz SZVUQAJTIXHWEX-SECBINFHSA-N -1 1 310.321 0.792 20 0 DCADMM O=C(N[C@H]1Cc2cccc(O)c2C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593003916 1167684334 /nfs/dbraw/zinc/68/43/34/1167684334.db2.gz JJXLKCMFTAOEOQ-NSHDSACASA-N -1 1 322.328 0.865 20 0 DCADMM O=C(N[C@H]1Cc2cccc(O)c2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593003916 1167684340 /nfs/dbraw/zinc/68/43/40/1167684340.db2.gz JJXLKCMFTAOEOQ-NSHDSACASA-N -1 1 322.328 0.865 20 0 DCADMM O=C(NCC(O)(C1CC1)C1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593012887 1167686681 /nfs/dbraw/zinc/68/66/81/1167686681.db2.gz URFXGOQYFUDPGY-UHFFFAOYSA-N -1 1 303.322 0.741 20 0 DCADMM O=C(NCC(O)(C1CC1)C1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593012887 1167686684 /nfs/dbraw/zinc/68/66/84/1167686684.db2.gz URFXGOQYFUDPGY-UHFFFAOYSA-N -1 1 303.322 0.741 20 0 DCADMM O=C(NC[C@@H]1CCC[C@H](O)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593033012 1167690920 /nfs/dbraw/zinc/69/09/20/1167690920.db2.gz FGFPLDPKDVQZJL-KOLCDFICSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@@H]1CCC[C@H](O)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593033012 1167690923 /nfs/dbraw/zinc/69/09/23/1167690923.db2.gz FGFPLDPKDVQZJL-KOLCDFICSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@H]1CSCCS1)c1cccc(-c2nnn[n-]2)n1 ZINC001593047263 1167693215 /nfs/dbraw/zinc/69/32/15/1167693215.db2.gz JGHFIWMCKACLEO-QMMMGPOBSA-N -1 1 322.419 0.840 20 0 DCADMM O=C(NC[C@H]1CSCCS1)c1cccc(-c2nn[n-]n2)n1 ZINC001593047263 1167693218 /nfs/dbraw/zinc/69/32/18/1167693218.db2.gz JGHFIWMCKACLEO-QMMMGPOBSA-N -1 1 322.419 0.840 20 0 DCADMM O=C(NCC=CCNc1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001593056103 1167694394 /nfs/dbraw/zinc/69/43/94/1167694394.db2.gz LZZNEUWFKRNDQL-OWOJBTEDSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCC=CCNc1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001593056103 1167694397 /nfs/dbraw/zinc/69/43/97/1167694397.db2.gz LZZNEUWFKRNDQL-OWOJBTEDSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCCNC(=O)C1CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593070591 1167698510 /nfs/dbraw/zinc/69/85/10/1167698510.db2.gz IZVSTRPDMWYNOV-UHFFFAOYSA-N -1 1 318.337 0.496 20 0 DCADMM O=C(NCCCNC(=O)C1CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593070591 1167698513 /nfs/dbraw/zinc/69/85/13/1167698513.db2.gz IZVSTRPDMWYNOV-UHFFFAOYSA-N -1 1 318.337 0.496 20 0 DCADMM O=C(NCCOC1CCOCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593096595 1167704978 /nfs/dbraw/zinc/70/49/78/1167704978.db2.gz MQEXLJYSCKMFSB-UHFFFAOYSA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCOC1CCOCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593096595 1167704987 /nfs/dbraw/zinc/70/49/87/1167704987.db2.gz MQEXLJYSCKMFSB-UHFFFAOYSA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)C1C=CC=CC=C1 ZINC001593095889 1167706012 /nfs/dbraw/zinc/70/60/12/1167706012.db2.gz PLNPGEUVVCMYTJ-UHFFFAOYSA-N -1 1 324.348 0.483 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)C1C=CC=CC=C1 ZINC001593095889 1167706015 /nfs/dbraw/zinc/70/60/15/1167706015.db2.gz PLNPGEUVVCMYTJ-UHFFFAOYSA-N -1 1 324.348 0.483 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593110281 1167710812 /nfs/dbraw/zinc/71/08/12/1167710812.db2.gz VKFSUDVXDKLPFE-AEJSXWLSSA-N -1 1 302.342 0.011 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C(F)(F)C1(O)CCC1 ZINC001593147285 1167723937 /nfs/dbraw/zinc/72/39/37/1167723937.db2.gz JPQFEIJUXBIGMO-UHFFFAOYSA-N -1 1 324.291 0.428 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C(F)(F)C1(O)CCC1 ZINC001593147285 1167723945 /nfs/dbraw/zinc/72/39/45/1167723945.db2.gz JPQFEIJUXBIGMO-UHFFFAOYSA-N -1 1 324.291 0.428 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cnn2cccnc12 ZINC001593146607 1167723990 /nfs/dbraw/zinc/72/39/90/1167723990.db2.gz WGQOTQVRWKGOPP-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cnn2cccnc12 ZINC001593146607 1167723997 /nfs/dbraw/zinc/72/39/97/1167723997.db2.gz WGQOTQVRWKGOPP-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N1CCC[C@H]1CCO ZINC001593150353 1167727082 /nfs/dbraw/zinc/72/70/82/1167727082.db2.gz WXIFSXCSVHVHKK-QMMMGPOBSA-N -1 1 323.382 0.380 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N1CCC[C@H]1CCO ZINC001593150353 1167727090 /nfs/dbraw/zinc/72/70/90/1167727090.db2.gz WXIFSXCSVHVHKK-QMMMGPOBSA-N -1 1 323.382 0.380 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001593151949 1167727951 /nfs/dbraw/zinc/72/79/51/1167727951.db2.gz NVGUNEUOEQXEQL-BDODKLCJSA-N -1 1 306.351 0.364 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001593151949 1167727956 /nfs/dbraw/zinc/72/79/56/1167727956.db2.gz NVGUNEUOEQXEQL-BDODKLCJSA-N -1 1 306.351 0.364 20 0 DCADMM O=C(N[C@]12C[C@H]1COC2)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593182046 1167731266 /nfs/dbraw/zinc/73/12/66/1167731266.db2.gz NYMLCKJBFOHKEN-QTTZVWFDSA-N -1 1 306.713 0.434 20 0 DCADMM O=C(N[C@H]1CCOC1=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593184772 1167732183 /nfs/dbraw/zinc/73/21/83/1167732183.db2.gz DNGDKFHKLDDLEV-QMMMGPOBSA-N -1 1 309.232 0.190 20 0 DCADMM O=C(N[C@H]1CCOC1=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593184772 1167732189 /nfs/dbraw/zinc/73/21/89/1167732189.db2.gz DNGDKFHKLDDLEV-QMMMGPOBSA-N -1 1 309.232 0.190 20 0 DCADMM O=C(N[C@H]1CCOC1=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593185086 1167732522 /nfs/dbraw/zinc/73/25/22/1167732522.db2.gz YWWXVICDDPHFQZ-VIFPVBQESA-N -1 1 312.289 0.393 20 0 DCADMM O=C(N[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593174799 1167733526 /nfs/dbraw/zinc/73/35/26/1167733526.db2.gz OCLLDSVIUJGDPN-SSDOTTSWSA-N -1 1 308.729 0.824 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccnn1CC(F)F ZINC001593198922 1167734969 /nfs/dbraw/zinc/73/49/69/1167734969.db2.gz BFUQTIDSHQRGHZ-UHFFFAOYSA-N -1 1 309.240 0.304 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccnn1CC(F)F ZINC001593198922 1167734977 /nfs/dbraw/zinc/73/49/77/1167734977.db2.gz BFUQTIDSHQRGHZ-UHFFFAOYSA-N -1 1 309.240 0.304 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(-n2cnnc2)cc1 ZINC001593197006 1167735345 /nfs/dbraw/zinc/73/53/45/1167735345.db2.gz COYBONUYGHPCFP-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(-n2cnnc2)cc1 ZINC001593197006 1167735352 /nfs/dbraw/zinc/73/53/52/1167735352.db2.gz COYBONUYGHPCFP-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@]12CCO[C@@H]1CCCC2 ZINC001593197273 1167736658 /nfs/dbraw/zinc/73/66/58/1167736658.db2.gz HZOPNMAVUPOLID-NOZJJQNGSA-N -1 1 303.326 0.878 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@]12CCO[C@@H]1CCCC2 ZINC001593197273 1167736660 /nfs/dbraw/zinc/73/66/60/1167736660.db2.gz HZOPNMAVUPOLID-NOZJJQNGSA-N -1 1 303.326 0.878 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc2[nH]c(=O)oc2c1 ZINC001593260571 1167745537 /nfs/dbraw/zinc/74/55/37/1167745537.db2.gz PEXBFBMVPFXVSB-UHFFFAOYSA-N -1 1 312.249 0.689 20 0 DCADMM O=C(O[C@@H]1CCN(C2CC2)C1=O)c1csc(-c2nnn[n-]2)c1 ZINC001593279743 1167754109 /nfs/dbraw/zinc/75/41/09/1167754109.db2.gz DDYVBBOZJIFLMD-SECBINFHSA-N -1 1 319.346 0.848 20 0 DCADMM O=C(O[C@@H]1CCN(C2CC2)C1=O)c1csc(-c2nn[n-]n2)c1 ZINC001593279743 1167754123 /nfs/dbraw/zinc/75/41/23/1167754123.db2.gz DDYVBBOZJIFLMD-SECBINFHSA-N -1 1 319.346 0.848 20 0 DCADMM O=C(OC[C@@H]1C[C@@]12CCOC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593284331 1167758319 /nfs/dbraw/zinc/75/83/19/1167758319.db2.gz IKSWGHBARWXOOI-IINYFYTJSA-N -1 1 301.306 0.845 20 0 DCADMM O=C(OC[C@@H]1C[C@@]12CCOC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593284331 1167758326 /nfs/dbraw/zinc/75/83/26/1167758326.db2.gz IKSWGHBARWXOOI-IINYFYTJSA-N -1 1 301.306 0.845 20 0 DCADMM O=C(OC1CCS(=O)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593281481 1167758892 /nfs/dbraw/zinc/75/88/92/1167758892.db2.gz STXHRQGXUDSXKO-UHFFFAOYSA-N -1 1 307.335 0.330 20 0 DCADMM O=C(OC1CCS(=O)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593281481 1167758899 /nfs/dbraw/zinc/75/88/99/1167758899.db2.gz STXHRQGXUDSXKO-UHFFFAOYSA-N -1 1 307.335 0.330 20 0 DCADMM O=C(OCCN1CCOCC1)c1ccsc1-c1nnn[n-]1 ZINC001593289875 1167760429 /nfs/dbraw/zinc/76/04/29/1167760429.db2.gz FQWBUVYDNZNEIV-UHFFFAOYSA-N -1 1 309.351 0.417 20 0 DCADMM O=C(OCCN1CCOCC1)c1ccsc1-c1nn[n-]n1 ZINC001593289875 1167760436 /nfs/dbraw/zinc/76/04/36/1167760436.db2.gz FQWBUVYDNZNEIV-UHFFFAOYSA-N -1 1 309.351 0.417 20 0 DCADMM O=C(OCCOC[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC001593290834 1167763078 /nfs/dbraw/zinc/76/30/78/1167763078.db2.gz UHVVNNNUUMWWAT-SNVBAGLBSA-N -1 1 319.321 0.614 20 0 DCADMM O=C(OCCOC[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC001593290834 1167763086 /nfs/dbraw/zinc/76/30/86/1167763086.db2.gz UHVVNNNUUMWWAT-SNVBAGLBSA-N -1 1 319.321 0.614 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001593337317 1167777650 /nfs/dbraw/zinc/77/76/50/1167777650.db2.gz WUUWHNZEZHRBDC-SECBINFHSA-N -1 1 324.291 0.351 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001593337317 1167777658 /nfs/dbraw/zinc/77/76/58/1167777658.db2.gz WUUWHNZEZHRBDC-SECBINFHSA-N -1 1 324.291 0.351 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCCC2(C1)OCCO2 ZINC001593338880 1167779841 /nfs/dbraw/zinc/77/98/41/1167779841.db2.gz JDGIFFANWIPBDS-UHFFFAOYSA-N -1 1 305.294 0.439 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCCC2(C1)OCCO2 ZINC001593338880 1167779849 /nfs/dbraw/zinc/77/98/49/1167779849.db2.gz JDGIFFANWIPBDS-UHFFFAOYSA-N -1 1 305.294 0.439 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@@H](c2ncon2)C1 ZINC001593339499 1167780582 /nfs/dbraw/zinc/78/05/82/1167780582.db2.gz SPJZLSHZQALHCB-SECBINFHSA-N -1 1 317.265 0.056 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@@H](c2ncon2)C1 ZINC001593339499 1167780591 /nfs/dbraw/zinc/78/05/91/1167780591.db2.gz SPJZLSHZQALHCB-SECBINFHSA-N -1 1 317.265 0.056 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCOC[C@H]1C1CCC1 ZINC001593348736 1167784252 /nfs/dbraw/zinc/78/42/52/1167784252.db2.gz NWGSEFNPFOCYMU-ZDUSSCGKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCOC[C@H]1C1CCC1 ZINC001593348736 1167784259 /nfs/dbraw/zinc/78/42/59/1167784259.db2.gz NWGSEFNPFOCYMU-ZDUSSCGKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1c1ncon1 ZINC001593348826 1167785606 /nfs/dbraw/zinc/78/56/06/1167785606.db2.gz RBWLNROEYZUMDT-JTQLQIEISA-N -1 1 312.293 0.622 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1c1ncon1 ZINC001593348826 1167785614 /nfs/dbraw/zinc/78/56/14/1167785614.db2.gz RBWLNROEYZUMDT-JTQLQIEISA-N -1 1 312.293 0.622 20 0 DCADMM O=C(OC[C@@H]1CCNC(=O)C1)c1csc(-c2nnn[n-]2)c1 ZINC001593386069 1167796678 /nfs/dbraw/zinc/79/66/78/1167796678.db2.gz OOCUPXDYQALECH-SSDOTTSWSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OC[C@@H]1CCNC(=O)C1)c1csc(-c2nn[n-]n2)c1 ZINC001593386069 1167796686 /nfs/dbraw/zinc/79/66/86/1167796686.db2.gz OOCUPXDYQALECH-SSDOTTSWSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(O[C@H]1CCC(=O)NC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593390357 1167802039 /nfs/dbraw/zinc/80/20/39/1167802039.db2.gz LRRWCMFRJDYQTH-ZETCQYMHSA-N -1 1 305.269 0.441 20 0 DCADMM O=C(O[C@H]1CCC(=O)NC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593390357 1167802043 /nfs/dbraw/zinc/80/20/43/1167802043.db2.gz LRRWCMFRJDYQTH-ZETCQYMHSA-N -1 1 305.269 0.441 20 0 DCADMM O=C(N[C@@H]1CCNC(=O)CC1)c1ccsc1-c1nnn[n-]1 ZINC001593389971 1167803742 /nfs/dbraw/zinc/80/37/42/1167803742.db2.gz FTHIRJCZNJHEHJ-ZETCQYMHSA-N -1 1 306.351 0.327 20 0 DCADMM O=C(N[C@@H]1CCNC(=O)CC1)c1ccsc1-c1nn[n-]n1 ZINC001593389971 1167803753 /nfs/dbraw/zinc/80/37/53/1167803753.db2.gz FTHIRJCZNJHEHJ-ZETCQYMHSA-N -1 1 306.351 0.327 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC(=O)N2CCC[C@@H]21 ZINC001593394997 1167807963 /nfs/dbraw/zinc/80/79/63/1167807963.db2.gz JPQKITCSFWIBCJ-NSHDSACASA-N -1 1 313.321 0.056 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC(=O)N2CCC[C@@H]21 ZINC001593394997 1167807970 /nfs/dbraw/zinc/80/79/70/1167807970.db2.gz JPQKITCSFWIBCJ-NSHDSACASA-N -1 1 313.321 0.056 20 0 DCADMM O=C1NCC[C@@H]2CCCN(Cc3nc(-c4nnn[n-]4)cs3)[C@@H]12 ZINC001593404551 1167817388 /nfs/dbraw/zinc/81/73/88/1167817388.db2.gz LESQHECFZAUEFF-GZMMTYOYSA-N -1 1 319.394 0.424 20 0 DCADMM O=C1NCC[C@@H]2CCCN(Cc3nc(-c4nn[n-]n4)cs3)[C@@H]12 ZINC001593404551 1167817408 /nfs/dbraw/zinc/81/74/08/1167817408.db2.gz LESQHECFZAUEFF-GZMMTYOYSA-N -1 1 319.394 0.424 20 0 DCADMM O=C1NC[C@@H](Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)O1 ZINC001593406140 1167817958 /nfs/dbraw/zinc/81/79/58/1167817958.db2.gz PTLRTHLGQPQOFF-VIFPVBQESA-N -1 1 316.321 0.016 20 0 DCADMM O=CN1CCC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001593413976 1167826426 /nfs/dbraw/zinc/82/64/26/1167826426.db2.gz FFPLZYFGSJEUFZ-SECBINFHSA-N -1 1 306.351 0.165 20 0 DCADMM O=C1OC[C@@H]2CN(Cc3csc(-c4nn[n-]n4)c3)CCN12 ZINC001593413568 1167828850 /nfs/dbraw/zinc/82/88/50/1167828850.db2.gz VJBVYVCZZKOIPU-VIFPVBQESA-N -1 1 306.351 0.565 20 0 DCADMM O=S(=O)(Cc1csc(-c2nn[n-]n2)c1)N1CC2(CC2)C1 ZINC001593428644 1167838384 /nfs/dbraw/zinc/83/83/84/1167838384.db2.gz MFANBZPYZVRVBY-UHFFFAOYSA-N -1 1 311.392 0.854 20 0 DCADMM O=S(=O)(NCc1ccco1)c1cccnc1-c1nn[n-]n1 ZINC001593442969 1167839746 /nfs/dbraw/zinc/83/97/46/1167839746.db2.gz REWOHLAASQSBBG-UHFFFAOYSA-N -1 1 306.307 0.333 20 0 DCADMM O=S(=O)(NCc1ccncc1)c1ccc(-c2nnn[n-]2)s1 ZINC001593442846 1167840916 /nfs/dbraw/zinc/84/09/16/1167840916.db2.gz JQHOOBKUYZZRHF-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM O=S(=O)(NCc1ccncc1)c1ccc(-c2nn[n-]n2)s1 ZINC001593442846 1167840924 /nfs/dbraw/zinc/84/09/24/1167840924.db2.gz JQHOOBKUYZZRHF-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM O=S(=O)(NCCOC1CCC1)c1cccnc1-c1nn[n-]n1 ZINC001593439897 1167841952 /nfs/dbraw/zinc/84/19/52/1167841952.db2.gz PCGOIUQCRHVHDL-UHFFFAOYSA-N -1 1 324.366 0.109 20 0 DCADMM O=S(=O)(Oc1cccnc1-c1nn[n-]n1)c1cscn1 ZINC001593449630 1167845583 /nfs/dbraw/zinc/84/55/83/1167845583.db2.gz FQKWFLLNUCNTBT-UHFFFAOYSA-N -1 1 310.320 0.486 20 0 DCADMM O=c1c(-c2nn[n-]n2)cnc2ncn(C[C@@H]3C[C@H]4C=C[C@@H]3C4)n21 ZINC001593493672 1167877125 /nfs/dbraw/zinc/87/71/25/1167877125.db2.gz BAOWEKXNZHDXRR-AEJSXWLSSA-N -1 1 310.321 0.283 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@H]1CC2(CO1)CCOCC2 ZINC001593496492 1167879387 /nfs/dbraw/zinc/87/93/87/1167879387.db2.gz LZXUXYDECCVTQM-GFCCVEGCSA-N -1 1 317.349 0.614 20 0 DCADMM O[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1F ZINC001593519448 1167893964 /nfs/dbraw/zinc/89/39/64/1167893964.db2.gz NVEZVOZURZBLKZ-WHFBIAKZSA-N -1 1 304.738 0.886 20 0 DCADMM O[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1F ZINC001593519448 1167893970 /nfs/dbraw/zinc/89/39/70/1167893970.db2.gz NVEZVOZURZBLKZ-WHFBIAKZSA-N -1 1 304.738 0.886 20 0 DCADMM OC[C@@]1(c2ccccc2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001593523533 1167901897 /nfs/dbraw/zinc/90/18/97/1167901897.db2.gz OZHJPYGFDWZGLD-MRXNPFEDSA-N -1 1 323.360 0.797 20 0 DCADMM OC[C@@]1(c2ccccc2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001593523533 1167901902 /nfs/dbraw/zinc/90/19/02/1167901902.db2.gz OZHJPYGFDWZGLD-MRXNPFEDSA-N -1 1 323.360 0.797 20 0 DCADMM OC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ncc[nH]1 ZINC001593526618 1167902648 /nfs/dbraw/zinc/90/26/48/1167902648.db2.gz MMDHRAIQXHABND-ZETCQYMHSA-N -1 1 306.717 0.784 20 0 DCADMM OC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ncc[nH]1 ZINC001593526618 1167902658 /nfs/dbraw/zinc/90/26/58/1167902658.db2.gz MMDHRAIQXHABND-ZETCQYMHSA-N -1 1 306.717 0.784 20 0 DCADMM OC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001593527005 1167905799 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ZINC001593582852 1167950709 /nfs/dbraw/zinc/95/07/09/1167950709.db2.gz BJJDQJKDQQAWKW-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1cn(CC2CCN(c3cccnc3-c3nn[n-]n3)CC2)nn1 ZINC001593582852 1167950710 /nfs/dbraw/zinc/95/07/10/1167950710.db2.gz BJJDQJKDQQAWKW-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1cnc(N[C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001593585086 1167951305 /nfs/dbraw/zinc/95/13/05/1167951305.db2.gz UJSMTRNKUYPTBT-SECBINFHSA-N -1 1 310.325 0.138 20 0 DCADMM c1cnc(N[C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001593585086 1167951313 /nfs/dbraw/zinc/95/13/13/1167951313.db2.gz UJSMTRNKUYPTBT-SECBINFHSA-N -1 1 310.325 0.138 20 0 DCADMM c1nc(N2CCC[C@@H](C3OCCO3)C2)cnc1-c1nnn[n-]1 ZINC001593591668 1167953522 /nfs/dbraw/zinc/95/35/22/1167953522.db2.gz TZAQWBSZENPQEH-SECBINFHSA-N -1 1 303.326 0.246 20 0 DCADMM c1nc(N2CCC[C@@H](C3OCCO3)C2)cnc1-c1nn[n-]n1 ZINC001593591668 1167953527 /nfs/dbraw/zinc/95/35/27/1167953527.db2.gz TZAQWBSZENPQEH-SECBINFHSA-N -1 1 303.326 0.246 20 0 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Cn1ncc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1-n1cccc1 ZINC001606275492 1170144351 /nfs/dbraw/zinc/14/43/51/1170144351.db2.gz RWKNFQLQDIMHMQ-UHFFFAOYSA-N -1 1 324.308 0.366 20 0 DCADMM FC(F)(F)C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001606287356 1170148870 /nfs/dbraw/zinc/14/88/70/1170148870.db2.gz KSXCDIJTRIXZLU-SSDOTTSWSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)(F)C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001606287356 1170148872 /nfs/dbraw/zinc/14/88/72/1170148872.db2.gz KSXCDIJTRIXZLU-SSDOTTSWSA-N -1 1 315.259 0.814 20 0 DCADMM CNS(=O)(=O)C1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC001606298945 1170154684 /nfs/dbraw/zinc/15/46/84/1170154684.db2.gz MYLXRFKZVGUCRC-GFCCVEGCSA-N -1 1 313.379 0.221 20 0 DCADMM NC(=O)[C@H](C1CC1)N(CC1CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001606402441 1170185362 /nfs/dbraw/zinc/18/53/62/1170185362.db2.gz UVNITHBLPYIRIF-LBPRGKRZSA-N -1 1 314.353 0.137 20 0 DCADMM NC(=O)[C@H](C1CC1)N(CC1CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001606402441 1170185366 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O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1Cc2ccncc2C1 ZINC001606594706 1170239424 /nfs/dbraw/zinc/23/94/24/1170239424.db2.gz LOKIZOAWZFREIL-UHFFFAOYSA-N -1 1 307.317 0.742 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1Cc2ccncc2C1 ZINC001606594706 1170239430 /nfs/dbraw/zinc/23/94/30/1170239430.db2.gz LOKIZOAWZFREIL-UHFFFAOYSA-N -1 1 307.317 0.742 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC1CCSCC1 ZINC001606595156 1170239891 /nfs/dbraw/zinc/23/98/91/1170239891.db2.gz RTBGNJLCJSHCHL-UHFFFAOYSA-N -1 1 304.379 0.816 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC1CCSCC1 ZINC001606595156 1170239899 /nfs/dbraw/zinc/23/98/99/1170239899.db2.gz RTBGNJLCJSHCHL-UHFFFAOYSA-N -1 1 304.379 0.816 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606635746 1170248890 /nfs/dbraw/zinc/24/88/90/1170248890.db2.gz XELLUVKKMSJQOA-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606635746 1170248896 /nfs/dbraw/zinc/24/88/96/1170248896.db2.gz XELLUVKKMSJQOA-GFCCVEGCSA-N -1 1 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OGZVLQSTYCIYJN-UHFFFAOYSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCOC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606786827 1170289381 /nfs/dbraw/zinc/28/93/81/1170289381.db2.gz KGYNIWCYMFIMLI-SECBINFHSA-N -1 1 307.310 0.243 20 0 DCADMM O=C(NCCOC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606786827 1170289384 /nfs/dbraw/zinc/28/93/84/1170289384.db2.gz KGYNIWCYMFIMLI-SECBINFHSA-N -1 1 307.310 0.243 20 0 DCADMM O=C(NCCc1nccs1)c1cccc(-c2nnn[n-]2)n1 ZINC001606801654 1170295182 /nfs/dbraw/zinc/29/51/82/1170295182.db2.gz BUVVCERDIUMQKN-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM O=C(NCCc1nccs1)c1cccc(-c2nn[n-]n2)n1 ZINC001606801654 1170295186 /nfs/dbraw/zinc/29/51/86/1170295186.db2.gz BUVVCERDIUMQKN-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM O=C(NC[C@@H](O)Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606804306 1170296137 /nfs/dbraw/zinc/29/61/37/1170296137.db2.gz YDAKFWMDFPRJTG-LBPRGKRZSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(NC[C@@H](O)Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606804306 1170296142 /nfs/dbraw/zinc/29/61/42/1170296142.db2.gz YDAKFWMDFPRJTG-LBPRGKRZSA-N -1 1 324.344 0.595 20 0 DCADMM COC[C@]1(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CNCCO1 ZINC001606825109 1170302949 /nfs/dbraw/zinc/30/29/49/1170302949.db2.gz ZNGQSSZRGLXFLJ-HNNXBMFYSA-N -1 1 308.334 0.637 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)Nc1ccnnc1 ZINC001606843889 1170310934 /nfs/dbraw/zinc/31/09/34/1170310934.db2.gz FRKOQTSSAIXXMR-UHFFFAOYSA-N -1 1 303.311 0.435 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)Nc1ccnnc1 ZINC001606843889 1170310941 /nfs/dbraw/zinc/31/09/41/1170310941.db2.gz FRKOQTSSAIXXMR-UHFFFAOYSA-N -1 1 303.311 0.435 20 0 DCADMM O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccsc1-c1nnn[n-]1 ZINC001606875976 1170320820 /nfs/dbraw/zinc/32/08/20/1170320820.db2.gz HGBHIVAIJCCKQU-KGDYZURWSA-N -1 1 303.347 0.834 20 0 DCADMM O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccsc1-c1nn[n-]n1 ZINC001606875976 1170320828 /nfs/dbraw/zinc/32/08/28/1170320828.db2.gz HGBHIVAIJCCKQU-KGDYZURWSA-N -1 1 303.347 0.834 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cnc(NC2CC2)s1 ZINC001606892970 1170323156 /nfs/dbraw/zinc/32/31/56/1170323156.db2.gz BZWFEYKZJQMAPB-UHFFFAOYSA-N -1 1 317.338 0.873 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cnc(NC2CC2)s1 ZINC001606892970 1170323163 /nfs/dbraw/zinc/32/31/63/1170323163.db2.gz BZWFEYKZJQMAPB-UHFFFAOYSA-N -1 1 317.338 0.873 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N(CCCO)C1CC1 ZINC001606941528 1170336472 /nfs/dbraw/zinc/33/64/72/1170336472.db2.gz ZMVAYDCEFFUTTH-UHFFFAOYSA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N(CCCO)C1CC1 ZINC001606941528 1170336481 /nfs/dbraw/zinc/33/64/81/1170336481.db2.gz ZMVAYDCEFFUTTH-UHFFFAOYSA-N -1 1 303.326 0.640 20 0 DCADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)c1cn(C2CC2)nn1 ZINC001606978763 1170343610 /nfs/dbraw/zinc/34/36/10/1170343610.db2.gz HKZFSBWQURPHFA-UHFFFAOYSA-N -1 1 301.266 0.743 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)c1cn(C2CC2)nn1 ZINC001606978763 1170343618 /nfs/dbraw/zinc/34/36/18/1170343618.db2.gz HKZFSBWQURPHFA-UHFFFAOYSA-N -1 1 301.266 0.743 20 0 DCADMM COCc1nc(CNC(=O)Nc2cc(C)c(C(=O)[O-])cn2)n[nH]1 ZINC001606981028 1170344861 /nfs/dbraw/zinc/34/48/61/1170344861.db2.gz IJLVYMMURTYXDR-UHFFFAOYSA-N -1 1 320.309 0.674 20 0 DCADMM COCc1nnc(CNC(=O)Nc2cc(C)c(C(=O)[O-])cn2)[nH]1 ZINC001606981028 1170344870 /nfs/dbraw/zinc/34/48/70/1170344870.db2.gz IJLVYMMURTYXDR-UHFFFAOYSA-N -1 1 320.309 0.674 20 0 DCADMM COCc1nc(CNC(=O)Nc2ccc(C(=O)[O-])cn2)n[nH]1 ZINC001606982050 1170345964 /nfs/dbraw/zinc/34/59/64/1170345964.db2.gz UIAJTOJVMRUFQZ-UHFFFAOYSA-N -1 1 306.282 0.366 20 0 DCADMM COCc1nnc(CNC(=O)Nc2ccc(C(=O)[O-])cn2)[nH]1 ZINC001606982050 1170345972 /nfs/dbraw/zinc/34/59/72/1170345972.db2.gz UIAJTOJVMRUFQZ-UHFFFAOYSA-N -1 1 306.282 0.366 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCn2nccc21 ZINC001607014166 1170354193 /nfs/dbraw/zinc/35/41/93/1170354193.db2.gz BDRQJAVKXQMLLJ-UHFFFAOYSA-N -1 1 316.712 0.772 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H](c2cnccn2)C1 ZINC001607017377 1170355120 /nfs/dbraw/zinc/35/51/20/1170355120.db2.gz SHOFDZYVSVUSGW-SECBINFHSA-N -1 1 311.305 0.879 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H](c2cnccn2)C1 ZINC001607017377 1170355126 /nfs/dbraw/zinc/35/51/26/1170355126.db2.gz SHOFDZYVSVUSGW-SECBINFHSA-N -1 1 311.305 0.879 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H]1c1ncon1 ZINC001607017180 1170356139 /nfs/dbraw/zinc/35/61/39/1170356139.db2.gz NDRJHGONVRDDJV-ZETCQYMHSA-N -1 1 301.266 0.820 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H]1c1ncon1 ZINC001607017180 1170356148 /nfs/dbraw/zinc/35/61/48/1170356148.db2.gz NDRJHGONVRDDJV-ZETCQYMHSA-N -1 1 301.266 0.820 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCOC[C@H]1CC(F)F ZINC001607017365 1170356686 /nfs/dbraw/zinc/35/66/86/1170356686.db2.gz RUTOFSBZYHNKFH-SSDOTTSWSA-N -1 1 313.264 0.956 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCOC[C@H]1CC(F)F ZINC001607017365 1170356690 /nfs/dbraw/zinc/35/66/90/1170356690.db2.gz RUTOFSBZYHNKFH-SSDOTTSWSA-N -1 1 313.264 0.956 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCO[C@@H](C2CCC2)C1 ZINC001607022131 1170357963 /nfs/dbraw/zinc/35/79/63/1170357963.db2.gz OGKUEMVARVSLFO-CYBMUJFWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCO[C@@H](C2CCC2)C1 ZINC001607022131 1170357968 /nfs/dbraw/zinc/35/79/68/1170357968.db2.gz OGKUEMVARVSLFO-CYBMUJFWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1c1cn[nH]c1 ZINC001607022055 1170358234 /nfs/dbraw/zinc/35/82/34/1170358234.db2.gz KOUVPVVHUZIWBM-GFCCVEGCSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1cn[nH]c1 ZINC001607022055 1170358240 /nfs/dbraw/zinc/35/82/40/1170358240.db2.gz KOUVPVVHUZIWBM-GFCCVEGCSA-N -1 1 310.321 0.962 20 0 DCADMM O=S1(=O)CCCC[C@@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001607073599 1170380027 /nfs/dbraw/zinc/38/00/27/1170380027.db2.gz PLYYBTVBMTXCJM-MRVPVSSYSA-N -1 1 309.355 0.036 20 0 DCADMM O=S1(=O)CCCC[C@@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001607073599 1170380031 /nfs/dbraw/zinc/38/00/31/1170380031.db2.gz PLYYBTVBMTXCJM-MRVPVSSYSA-N -1 1 309.355 0.036 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@H]1COc2ccccc2O1 ZINC001607090146 1170386431 /nfs/dbraw/zinc/38/64/31/1170386431.db2.gz YFVCYNNOPNRRPJ-VIFPVBQESA-N -1 1 312.289 0.263 20 0 DCADMM O=c1ccncn1CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001607090644 1170390627 /nfs/dbraw/zinc/39/06/27/1170390627.db2.gz RDRISKVLPOOKBU-UHFFFAOYSA-N -1 1 318.728 0.584 20 0 DCADMM O=c1ccncn1CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001607090644 1170390635 /nfs/dbraw/zinc/39/06/35/1170390635.db2.gz RDRISKVLPOOKBU-UHFFFAOYSA-N -1 1 318.728 0.584 20 0 DCADMM O[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1c[nH]cn1 ZINC001607097813 1170392491 /nfs/dbraw/zinc/39/24/91/1170392491.db2.gz XZUBPWLALFZCEO-MRVPVSSYSA-N -1 1 306.717 0.784 20 0 DCADMM O[C@@H]1C[C@@H](c2ccccc2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001607100163 1170393951 /nfs/dbraw/zinc/39/39/51/1170393951.db2.gz FIBDWCZUNUEVJH-YPMHNXCESA-N -1 1 309.333 0.969 20 0 DCADMM O[C@@H]1C[C@@H](c2ccccc2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001607100163 1170393958 /nfs/dbraw/zinc/39/39/58/1170393958.db2.gz FIBDWCZUNUEVJH-YPMHNXCESA-N -1 1 309.333 0.969 20 0 DCADMM O[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]2CCCC[C@@H]12 ZINC001607099145 1170394717 /nfs/dbraw/zinc/39/47/17/1170394717.db2.gz DXXZSYMJYRBCKE-OUAUKWLOSA-N -1 1 301.354 0.787 20 0 DCADMM Oc1ccc2c(c1)OCCN(c1ncncc1-c1nn[n-]n1)C2 ZINC001607110720 1170402068 /nfs/dbraw/zinc/40/20/68/1170402068.db2.gz JNUBRFUOZBLQCM-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM O[C@@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001607109410 1170402146 /nfs/dbraw/zinc/40/21/46/1170402146.db2.gz QOTNJJIMHXNJEG-ZGQXEFDQSA-N -1 1 302.747 0.273 20 0 DCADMM O[C@@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001607109410 1170402147 /nfs/dbraw/zinc/40/21/47/1170402147.db2.gz QOTNJJIMHXNJEG-ZGQXEFDQSA-N -1 1 302.747 0.273 20 0 DCADMM c1[nH]nc2c1CN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)CC2 ZINC001607114821 1170402984 /nfs/dbraw/zinc/40/29/84/1170402984.db2.gz RGCYDUOJDGONLR-UHFFFAOYSA-N -1 1 309.337 0.820 20 0 DCADMM c1ccc(CO[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001607128473 1170406247 /nfs/dbraw/zinc/40/62/47/1170406247.db2.gz BLAPGCSDZOWRNB-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM c1ccc(CO[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001607128473 1170406248 /nfs/dbraw/zinc/40/62/48/1170406248.db2.gz BLAPGCSDZOWRNB-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM c1cc(O[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001607125746 1170406346 /nfs/dbraw/zinc/40/63/46/1170406346.db2.gz OTHYMTOZWKNNOK-LLVKDONJSA-N -1 1 310.321 0.709 20 0 DCADMM c1cc(O[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001607125746 1170406347 /nfs/dbraw/zinc/40/63/47/1170406347.db2.gz OTHYMTOZWKNNOK-LLVKDONJSA-N -1 1 310.321 0.709 20 0 DCADMM c1cn(CC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001607132896 1170406715 /nfs/dbraw/zinc/40/67/15/1170406715.db2.gz HETPPFWDRURQGG-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM c1c(CNc2ncncc2-c2nn[n-]n2)nnn1-c1ccccc1 ZINC001607128019 1170406769 /nfs/dbraw/zinc/40/67/69/1170406769.db2.gz IIBJHJVNNPJTTH-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nc(N2CCOC[C@@H]2[C@@H]2CCCO2)cnc1-c1nnn[n-]1 ZINC001607137278 1170407231 /nfs/dbraw/zinc/40/72/31/1170407231.db2.gz OBYMKCHMVNUUGU-MNOVXSKESA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(N2CCOC[C@@H]2[C@@H]2CCCO2)cnc1-c1nn[n-]n1 ZINC001607137278 1170407237 /nfs/dbraw/zinc/40/72/37/1170407237.db2.gz OBYMKCHMVNUUGU-MNOVXSKESA-N -1 1 303.326 0.041 20 0 DCADMM c1ncc(-c2nnn[n-]2)nc1NCCOC1CCSCC1 ZINC001607138681 1170408832 /nfs/dbraw/zinc/40/88/32/1170408832.db2.gz IJYKLCNKUYVBQO-UHFFFAOYSA-N -1 1 307.383 0.981 20 0 DCADMM c1ncc(-c2nn[n-]n2)nc1NCCOC1CCSCC1 ZINC001607138681 1170408835 /nfs/dbraw/zinc/40/88/35/1170408835.db2.gz IJYKLCNKUYVBQO-UHFFFAOYSA-N -1 1 307.383 0.981 20 0 DCADMM c1nc(-c2nn[n-]n2)nn1CCNc1ncnc2c1CCCC2 ZINC001607138095 1170409320 /nfs/dbraw/zinc/40/93/20/1170409320.db2.gz AGJWIGUDIMHKMA-UHFFFAOYSA-N -1 1 312.341 0.239 20 0 DCADMM c1ncn(-c2ccc(CNc3cncc(-c4nnn[n-]4)n3)cc2)n1 ZINC001607138610 1170409464 /nfs/dbraw/zinc/40/94/64/1170409464.db2.gz VZAFNSZHJAEGBG-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1ncn(-c2ccc(CNc3cncc(-c4nn[n-]n4)n3)cc2)n1 ZINC001607138610 1170409466 /nfs/dbraw/zinc/40/94/66/1170409466.db2.gz VZAFNSZHJAEGBG-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM COc1cc(CNC(=O)NC[C@@H]2CCN2C)ccc1C(=O)[O-] ZINC001607163662 1170411514 /nfs/dbraw/zinc/41/15/14/1170411514.db2.gz ZXBUDAZNHPGMCR-NSHDSACASA-N -1 1 307.350 0.897 20 0 DCADMM COc1cc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)on1 ZINC001607164001 1170411740 /nfs/dbraw/zinc/41/17/40/1170411740.db2.gz DANQQNZNGYBTRY-DMWPJOQESA-N -1 1 323.349 0.388 20 0 DCADMM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ncn[nH]2)c(OC)c1 ZINC001607224349 1170416364 /nfs/dbraw/zinc/41/63/64/1170416364.db2.gz NHNXOCOKDREGBR-SNVBAGLBSA-N -1 1 320.305 0.768 20 0 DCADMM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2nc[nH]n2)c(OC)c1 ZINC001607224349 1170416366 /nfs/dbraw/zinc/41/63/66/1170416366.db2.gz NHNXOCOKDREGBR-SNVBAGLBSA-N -1 1 320.305 0.768 20 0 DCADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CNCCO2)cc1 ZINC001607223665 1170416602 /nfs/dbraw/zinc/41/66/02/1170416602.db2.gz YXEAPQAXBOHKMY-STQMWFEESA-N -1 1 308.334 0.316 20 0 DCADMM COc1ccc(CNC(=O)CN2CC[C@](OC)(C(=O)[O-])C2)cc1 ZINC001607254967 1170419470 /nfs/dbraw/zinc/41/94/70/1170419470.db2.gz GVVZXDGQAXWMQW-MRXNPFEDSA-N -1 1 322.361 0.487 20 0 DCADMM COc1cccc([C@H](N)C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC001607314133 1170425955 /nfs/dbraw/zinc/42/59/55/1170425955.db2.gz WJJZSZXUGOOSLH-UBHSHLNASA-N -1 1 322.361 0.549 20 0 DCADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@@H](CO)[C@H]1CCCOC1 ZINC001607496550 1170467517 /nfs/dbraw/zinc/46/75/17/1170467517.db2.gz XVBAUGLTBMGVMJ-GWCFXTLKSA-N -1 1 310.350 0.581 20 0 DCADMM Cc1cc(C(=O)[O-])oc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC001607602723 1170483165 /nfs/dbraw/zinc/48/31/65/1170483165.db2.gz ZACFBFUWTDYEPK-QMMMGPOBSA-N -1 1 307.266 0.013 20 0 DCADMM Cc1cc(CN[C@H]2C[C@H](CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001607651447 1170489639 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Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](O)COCC(C)C)n1 ZINC001609392662 1170964469 /nfs/dbraw/zinc/96/44/69/1170964469.db2.gz ZAMSFJOOMXXKJH-SNVBAGLBSA-N -1 1 307.358 0.411 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](O)COCC(C)C)n1 ZINC001609392662 1170964474 /nfs/dbraw/zinc/96/44/74/1170964474.db2.gz ZAMSFJOOMXXKJH-SNVBAGLBSA-N -1 1 307.358 0.411 20 0 DCADMM Cc1ccc(N2CCN(c3ncccn3)CC2)nc1-c1nnn[n-]1 ZINC001609425308 1170973624 /nfs/dbraw/zinc/97/36/24/1170973624.db2.gz JKYGXKHZADVFQR-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1ccc(N2CCN(c3ncccn3)CC2)nc1-c1nn[n-]n1 ZINC001609425308 1170973626 /nfs/dbraw/zinc/97/36/26/1170973626.db2.gz JKYGXKHZADVFQR-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)nc1-c1nnn[n-]1 ZINC001609424934 1170974240 /nfs/dbraw/zinc/97/42/40/1170974240.db2.gz PDMSPTAHZYWHOX-JTQLQIEISA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)nc1-c1nn[n-]n1 ZINC001609424934 1170974244 /nfs/dbraw/zinc/97/42/44/1170974244.db2.gz PDMSPTAHZYWHOX-JTQLQIEISA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(NCC2CCS(=O)(=O)CC2)nc1-c1nnn[n-]1 ZINC001609426121 1170974663 /nfs/dbraw/zinc/97/46/63/1170974663.db2.gz FCODQEKMWIALSY-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(NCC2CCS(=O)(=O)CC2)nc1-c1nn[n-]n1 ZINC001609426121 1170974666 /nfs/dbraw/zinc/97/46/66/1170974666.db2.gz FCODQEKMWIALSY-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1nn(COC(=O)C(C)(C)C)c(=O)c(-c2nn[n-]n2)c1C ZINC001609459620 1170984742 /nfs/dbraw/zinc/98/47/42/1170984742.db2.gz PEEXFFALEIFSRV-UHFFFAOYSA-N -1 1 306.326 0.587 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](C)[S@@](=O)CC1 ZINC001609466717 1170989534 /nfs/dbraw/zinc/98/95/34/1170989534.db2.gz HZHFNBHRLIBTBY-PJLCYMMNSA-N -1 1 323.378 0.751 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](C)[S@@](=O)CC1 ZINC001609466717 1170989536 /nfs/dbraw/zinc/98/95/36/1170989536.db2.gz HZHFNBHRLIBTBY-PJLCYMMNSA-N -1 1 323.378 0.751 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H](OCCO)C1 ZINC001609467142 1170989945 /nfs/dbraw/zinc/98/99/45/1170989945.db2.gz VSJIKOBAIFZEKY-JTQLQIEISA-N -1 1 321.337 0.382 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H](OCCO)C1 ZINC001609467142 1170989951 /nfs/dbraw/zinc/98/99/51/1170989951.db2.gz VSJIKOBAIFZEKY-JTQLQIEISA-N -1 1 321.337 0.382 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](CC(N)=O)C1 ZINC001609467048 1170990001 /nfs/dbraw/zinc/99/00/01/1170990001.db2.gz RYQAJTRPUSPPTR-MRVPVSSYSA-N -1 1 304.310 0.106 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](CC(N)=O)C1 ZINC001609467048 1170990006 /nfs/dbraw/zinc/99/00/06/1170990006.db2.gz RYQAJTRPUSPPTR-MRVPVSSYSA-N -1 1 304.310 0.106 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC23CCCC3)n(C)c1=O ZINC001609476655 1170991149 /nfs/dbraw/zinc/99/11/49/1170991149.db2.gz PHFKFMSRBUNEBO-MRVPVSSYSA-N -1 1 317.353 0.009 20 0 DCADMM O=C(CNC(=O)c1csc(-c2nn[n-]n2)c1)NC1CCCC1 ZINC001609526889 1171008182 /nfs/dbraw/zinc/00/81/82/1171008182.db2.gz FLRHINWRZBZMPF-UHFFFAOYSA-N -1 1 320.378 0.717 20 0 DCADMM O=C(COc1cnc(-c2nn[n-]n2)nc1)NC1CCCCC1 ZINC001609533674 1171011826 /nfs/dbraw/zinc/01/18/26/1171011826.db2.gz OPZFJNPBUXNASU-UHFFFAOYSA-N -1 1 303.326 0.484 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(C2CC2)cc1 ZINC001609538093 1171011858 /nfs/dbraw/zinc/01/18/58/1171011858.db2.gz RPOOKPLOHXGTSE-UHFFFAOYSA-N -1 1 324.348 0.652 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)C(C1CC1)C1CC1 ZINC001609552132 1171018388 /nfs/dbraw/zinc/01/83/88/1171018388.db2.gz YWJCZRJFBRHCMC-UHFFFAOYSA-N -1 1 302.342 0.011 20 0 DCADMM O=C(OCCn1cncn1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609575425 1171026615 /nfs/dbraw/zinc/02/66/15/1171026615.db2.gz NGCCRARGSLOHHV-UHFFFAOYSA-N -1 1 303.257 0.454 20 0 DCADMM O=C(OCCn1cncn1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609575425 1171026623 /nfs/dbraw/zinc/02/66/23/1171026623.db2.gz NGCCRARGSLOHHV-UHFFFAOYSA-N -1 1 303.257 0.454 20 0 DCADMM O=C(Oc1ccc2c(c1)C(=O)NC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001609579188 1171028391 /nfs/dbraw/zinc/02/83/91/1171028391.db2.gz 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DCADMM NC(=O)NC(=O)CN1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001610638497 1171275786 /nfs/dbraw/zinc/27/57/86/1171275786.db2.gz QSEROSDTTCOOBS-UHFFFAOYSA-N -1 1 319.361 0.834 20 0 DCADMM NC(=O)[C@H]1CCCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001610639382 1171275812 /nfs/dbraw/zinc/27/58/12/1171275812.db2.gz YSWPUUZXNMDDAF-DGCLKSJQSA-N -1 1 308.334 0.074 20 0 DCADMM Nc1nc(N)nc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001610648808 1171281552 /nfs/dbraw/zinc/28/15/52/1171281552.db2.gz MIWHVDRSDKKCLT-OAHLLOKOSA-N -1 1 314.349 0.264 20 0 DCADMM O=C([O-])[C@@H](NC(=O)CCc1nc[nH]n1)c1ccc2c(c1)CCO2 ZINC001610660199 1171284054 /nfs/dbraw/zinc/28/40/54/1171284054.db2.gz BYUNZRFLYZSDHV-AWEZNQCLSA-N -1 1 316.317 0.614 20 0 DCADMM O=C([O-])[C@@H](O)C1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC001610724790 1171299319 /nfs/dbraw/zinc/29/93/19/1171299319.db2.gz XWBFZYSGVSWDBT-ZDUSSCGKSA-N -1 1 307.350 0.717 20 0 DCADMM O=C([O-])CN(CCN1CCOCC1)Cc1cnc(C2CC2)nc1 ZINC001610780017 1171321713 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947472988 /nfs/dbraw/zinc/47/29/88/947472988.db2.gz BIEGLXGOLPCVGF-VIFPVBQESA-N -1 1 316.369 0.573 20 0 DCADMM CO[C@@H](C)C(=O)N[C@H](C)CCCNC(=O)c1ncccc1[O-] ZINC001487475149 947582197 /nfs/dbraw/zinc/58/21/97/947582197.db2.gz JOJNFXKOOVJMOB-MNOVXSKESA-N -1 1 309.366 0.837 20 0 DCADMM CN(C)c1nc(NC(=S)NCCC[S@@](C)=O)cc(=O)[n-]1 ZINC001246364369 947690451 /nfs/dbraw/zinc/69/04/51/947690451.db2.gz BNRQQTMYHRXSIG-HXUWFJFHSA-N -1 1 317.440 0.303 20 0 DCADMM COc1ccccc1CN(C)c1nnc(Cc2nnn[n-]2)n1C ZINC001262871070 947781815 /nfs/dbraw/zinc/78/18/15/947781815.db2.gz BIFQBOQASZATJY-UHFFFAOYSA-N -1 1 314.353 0.564 20 0 DCADMM COc1ccccc1CN(C)c1nnc(Cc2nn[n-]n2)n1C ZINC001262871070 947781819 /nfs/dbraw/zinc/78/18/19/947781819.db2.gz BIFQBOQASZATJY-UHFFFAOYSA-N -1 1 314.353 0.564 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCC[C@@H]1OC ZINC001273466635 947906877 /nfs/dbraw/zinc/90/68/77/947906877.db2.gz IJCLCBGORIKYAA-MNOVXSKESA-N -1 1 311.386 0.264 20 0 DCADMM Nc1cccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC001325837650 947943379 /nfs/dbraw/zinc/94/33/79/947943379.db2.gz VWJKMFDDFSJGCV-UHFFFAOYSA-N -1 1 313.379 0.050 20 0 DCADMM CCC1(C(=O)N(CCO)CCNCc2n[nH]c(=O)[n-]2)CCC1 ZINC001326073097 948043039 /nfs/dbraw/zinc/04/30/39/948043039.db2.gz FLAVZRNVMKNAET-UHFFFAOYSA-N -1 1 311.386 0.001 20 0 DCADMM C[C@@H]1CCc2nc(NC(=O)NN3CC(=O)[N-]C3=O)sc2C1 ZINC001326467014 948172513 /nfs/dbraw/zinc/17/25/13/948172513.db2.gz TULLAKCPGCJXKI-ZCFIWIBFSA-N -1 1 309.351 0.856 20 0 DCADMM CC(=O)N1CC[C@](C)(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573433549 948203348 /nfs/dbraw/zinc/20/33/48/948203348.db2.gz MFGASDLGIABZGI-CQSZACIVSA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)N1CC[C@](C)(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573433549 948203358 /nfs/dbraw/zinc/20/33/58/948203358.db2.gz MFGASDLGIABZGI-CQSZACIVSA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573434696 948216899 /nfs/dbraw/zinc/21/68/99/948216899.db2.gz SICMBSIUABUWOM-ONGXEEELSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573434696 948216906 /nfs/dbraw/zinc/21/69/06/948216906.db2.gz SICMBSIUABUWOM-ONGXEEELSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573438629 948237833 /nfs/dbraw/zinc/23/78/33/948237833.db2.gz DFTQYXZRVFBUNZ-GHMZBOCLSA-N -1 1 314.353 0.104 20 0 DCADMM CC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573439598 948246418 /nfs/dbraw/zinc/24/64/18/948246418.db2.gz NIGKVJIAVTUGAQ-JQWIXIFHSA-N -1 1 314.353 0.104 20 0 DCADMM CC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573439598 948246427 /nfs/dbraw/zinc/24/64/27/948246427.db2.gz NIGKVJIAVTUGAQ-JQWIXIFHSA-N -1 1 314.353 0.104 20 0 DCADMM CC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573441282 948266556 /nfs/dbraw/zinc/26/65/56/948266556.db2.gz GWGFXUVIJQEHGS-SNVBAGLBSA-N -1 1 302.342 0.470 20 0 DCADMM CC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573441282 948266563 /nfs/dbraw/zinc/26/65/63/948266563.db2.gz GWGFXUVIJQEHGS-SNVBAGLBSA-N -1 1 302.342 0.470 20 0 DCADMM CC(=O)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573441269 948267019 /nfs/dbraw/zinc/26/70/19/948267019.db2.gz GOWKKDRTZXCTSF-NSHDSACASA-N -1 1 316.369 0.860 20 0 DCADMM CC(=O)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573441269 948267025 /nfs/dbraw/zinc/26/70/25/948267025.db2.gz GOWKKDRTZXCTSF-NSHDSACASA-N -1 1 316.369 0.860 20 0 DCADMM CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573441517 948272092 /nfs/dbraw/zinc/27/20/92/948272092.db2.gz KBLRRKGCVYQJJJ-SNVBAGLBSA-N -1 1 302.342 0.470 20 0 DCADMM CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573441517 948272101 /nfs/dbraw/zinc/27/21/01/948272101.db2.gz KBLRRKGCVYQJJJ-SNVBAGLBSA-N -1 1 302.342 0.470 20 0 DCADMM CC[C@@H](C)CCC(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001487979073 948401644 /nfs/dbraw/zinc/40/16/44/948401644.db2.gz VCCIYWXIWJKZIW-NEPJUHHUSA-N -1 1 323.393 0.820 20 0 DCADMM C[C@@]1(C(=O)N2CC[C@H](c3nn[n-]n3)C2)COc2ccccc2O1 ZINC001548762019 1013089045 /nfs/dbraw/zinc/08/90/45/1013089045.db2.gz LHFWOKPLTSRLQO-BONVTDFDSA-N -1 1 315.333 0.746 20 0 DCADMM C[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC001570917557 948561333 /nfs/dbraw/zinc/56/13/33/948561333.db2.gz AWSQKXISUVIAPG-QMMMGPOBSA-N -1 1 316.300 0.475 20 0 DCADMM O=C([O-])C1(C(=O)N2CCN(C3CCOCC3)CC2)CC=CC1 ZINC001327593802 948563490 /nfs/dbraw/zinc/56/34/90/948563490.db2.gz VYSODBCQMCTPED-UHFFFAOYSA-N -1 1 308.378 0.731 20 0 DCADMM O=C([O-])[C@@H](C(=O)N1CCC(CN2CCOCC2)CC1)C1CC1 ZINC001327593115 948563680 /nfs/dbraw/zinc/56/36/80/948563680.db2.gz QDDFNPRFODWKCF-CQSZACIVSA-N -1 1 310.394 0.668 20 0 DCADMM Cc1ncc(NCc2nc(-c3nnn[n-]3)cs2)cc1C(N)=O ZINC001570918347 948572636 /nfs/dbraw/zinc/57/26/36/948572636.db2.gz OTMLDFRTIIWESL-UHFFFAOYSA-N -1 1 316.350 0.738 20 0 DCADMM Cc1ncc(NCc2nc(-c3nn[n-]n3)cs2)cc1C(N)=O ZINC001570918347 948572646 /nfs/dbraw/zinc/57/26/46/948572646.db2.gz OTMLDFRTIIWESL-UHFFFAOYSA-N -1 1 316.350 0.738 20 0 DCADMM CSc1ccccc1Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001570918653 948576998 /nfs/dbraw/zinc/57/69/98/948576998.db2.gz RXPJCSHNOMBOHG-UHFFFAOYSA-N -1 1 316.346 0.899 20 0 DCADMM CC1(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001570918690 948578288 /nfs/dbraw/zinc/57/82/88/948578288.db2.gz JCMCIGUGDDTKBP-VIFPVBQESA-N -1 1 314.353 0.470 20 0 DCADMM CC1(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001570918690 948578292 /nfs/dbraw/zinc/57/82/92/948578292.db2.gz JCMCIGUGDDTKBP-VIFPVBQESA-N -1 1 314.353 0.470 20 0 DCADMM COc1ncc(NC(=O)Cc2cc(C)no2)cc1-c1nn[n-]n1 ZINC001570919395 948587926 /nfs/dbraw/zinc/58/79/26/948587926.db2.gz SEKBYXJGIFSGKN-UHFFFAOYSA-N -1 1 315.293 0.748 20 0 DCADMM O=C(N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001570919661 948590296 /nfs/dbraw/zinc/59/02/96/948590296.db2.gz XXNNVXNORUCDTB-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001570919661 948590299 /nfs/dbraw/zinc/59/02/99/948590299.db2.gz XXNNVXNORUCDTB-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM Cc1nc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc(-c2nnn[n-]2)n1 ZINC001570919696 948590516 /nfs/dbraw/zinc/59/05/16/948590516.db2.gz ZGFGTGOPDCSJQE-ZOFUNIGCSA-N -1 1 314.353 0.386 20 0 DCADMM Cc1nc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc(-c2nn[n-]n2)n1 ZINC001570919696 948590521 /nfs/dbraw/zinc/59/05/21/948590521.db2.gz ZGFGTGOPDCSJQE-ZOFUNIGCSA-N -1 1 314.353 0.386 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001570920723 948604922 /nfs/dbraw/zinc/60/49/22/948604922.db2.gz AGNLCNFQNHQVHS-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001570920723 948604928 /nfs/dbraw/zinc/60/49/28/948604928.db2.gz AGNLCNFQNHQVHS-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCCC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001570920827 948608366 /nfs/dbraw/zinc/60/83/66/948608366.db2.gz DKOCFACOGJEVPH-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001570920827 948608368 /nfs/dbraw/zinc/60/83/68/948608368.db2.gz DKOCFACOGJEVPH-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM Fc1cc2c(c(F)c1)[C@H](Nc1ccnc(-c3nn[n-]n3)n1)CO2 ZINC001570921142 948615437 /nfs/dbraw/zinc/61/54/37/948615437.db2.gz OZHDMDHADUNTFA-MRVPVSSYSA-N -1 1 317.259 0.902 20 0 DCADMM OC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC001570921314 948619066 /nfs/dbraw/zinc/61/90/66/948619066.db2.gz VFDRRTHOEVRRIG-RITPCOANSA-N -1 1 316.774 0.786 20 0 DCADMM OC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC001570921314 948619069 /nfs/dbraw/zinc/61/90/69/948619069.db2.gz VFDRRTHOEVRRIG-RITPCOANSA-N -1 1 316.774 0.786 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(CCCO)C1CC1 ZINC001570921430 948620277 /nfs/dbraw/zinc/62/02/77/948620277.db2.gz ABLGABUJCJVXMI-UHFFFAOYSA-N -1 1 318.337 0.263 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCC1(O)CCC1 ZINC001570921814 948628317 /nfs/dbraw/zinc/62/83/17/948628317.db2.gz PJWHPYKRMUNFKP-UHFFFAOYSA-N -1 1 318.337 0.311 20 0 DCADMM C[C@H](C(=O)N[C@@H]1C[C@H]1C(F)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001573741201 948652660 /nfs/dbraw/zinc/65/26/60/948652660.db2.gz ZAPBSOCGOPWSDO-HSUXUTPPSA-N -1 1 316.247 0.086 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)C1CC1 ZINC001573742887 948665046 /nfs/dbraw/zinc/66/50/46/948665046.db2.gz SMLGKQAFCFMVIY-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)C1CC1 ZINC001573742887 948665053 /nfs/dbraw/zinc/66/50/53/948665053.db2.gz SMLGKQAFCFMVIY-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM CNc1cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)cc(Cl)n1 ZINC001263886321 948797754 /nfs/dbraw/zinc/79/77/54/948797754.db2.gz GEHLCLIQUZVJGA-ZETCQYMHSA-N -1 1 307.745 0.920 20 0 DCADMM O=c1[nH]c(C2CC2)nc2c1CN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001570930194 948804842 /nfs/dbraw/zinc/80/48/42/948804842.db2.gz FTOAMLFIWJIXOY-UHFFFAOYSA-N -1 1 323.320 0.550 20 0 DCADMM CCOCCO[C@H](C)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 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DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCOC[C@@H]1CCOC1 ZINC001520981753 1017323485 /nfs/dbraw/zinc/32/34/85/1017323485.db2.gz IZDSPJQDAAKREY-SECBINFHSA-N -1 1 313.379 0.562 20 0 DCADMM COCCN(CCNC(=O)c1ncccc1[O-])C(=O)C(F)F ZINC001488534837 948950227 /nfs/dbraw/zinc/95/02/27/948950227.db2.gz USIJHKXKKOXYPX-UHFFFAOYSA-N -1 1 317.292 0.257 20 0 DCADMM CC(=O)[C@H]1CC(C(=O)[N-]OCCN(C)C)=NN1c1ccccc1 ZINC001328691226 949026640 /nfs/dbraw/zinc/02/66/40/949026640.db2.gz IXGATQBRYBCTTP-OAHLLOKOSA-N -1 1 318.377 0.820 20 0 DCADMM O=C(NCCCO)C1CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC001328717037 949045412 /nfs/dbraw/zinc/04/54/12/949045412.db2.gz NSVKGEWBPUTOIT-UHFFFAOYSA-N -1 1 314.773 0.551 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cncnc3CC)nc2n1 ZINC001328713038 949046902 /nfs/dbraw/zinc/04/69/02/949046902.db2.gz XZOVBLJFNVFBIR-UHFFFAOYSA-N -1 1 313.321 0.585 20 0 DCADMM C[C@@H](Oc1ccccn1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001575504737 949085572 /nfs/dbraw/zinc/08/55/72/949085572.db2.gz 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C[C@H](CNC(=O)CCOCC1CC1)NC(=O)c1ncccc1[O-] ZINC001298578571 958650777 /nfs/dbraw/zinc/65/07/77/958650777.db2.gz RCFPKDCJTYIUAL-LLVKDONJSA-N -1 1 321.377 0.838 20 0 DCADMM Cc1cn(C(C)(C)C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cn1 ZINC001362090961 958720469 /nfs/dbraw/zinc/72/04/69/958720469.db2.gz PIIJGHLBZAVNNO-SNVBAGLBSA-N -1 1 305.342 0.040 20 0 DCADMM O=C(CCCc1nn[n-]n1)NC[C@@]1(O)CCCc2ccccc21 ZINC001362095290 958726251 /nfs/dbraw/zinc/72/62/51/958726251.db2.gz NNTBXKBGAYDWHB-INIZCTEOSA-N -1 1 315.377 0.863 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(CC(F)(F)F)C1 ZINC001362111028 958755119 /nfs/dbraw/zinc/75/51/19/958755119.db2.gz KTBCSENQORRSDA-UHFFFAOYSA-N -1 1 307.228 0.921 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCN(C(N)=O)C1 ZINC001362134599 958800874 /nfs/dbraw/zinc/80/08/74/958800874.db2.gz KUHBJWBARPDKPD-SSDOTTSWSA-N -1 1 311.367 0.095 20 0 DCADMM O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc([O-])cn1 ZINC001362149216 958824175 /nfs/dbraw/zinc/82/41/75/958824175.db2.gz 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COC(=O)[C@@]1(NC(=O)c2cnc(C3CC3)[n-]c2=O)CCSC1 ZINC001362330433 959156813 /nfs/dbraw/zinc/15/68/13/959156813.db2.gz YABHVVQGYBXQTL-CQSZACIVSA-N -1 1 323.374 0.838 20 0 DCADMM CSc1ncc(C(=O)N(C)[C@H](CO)COC(C)C)c(=O)[n-]1 ZINC001362351401 959194444 /nfs/dbraw/zinc/19/44/44/959194444.db2.gz FJOAZLJLVJRBQR-SECBINFHSA-N -1 1 315.395 0.762 20 0 DCADMM O=C(c1cnn2c1OCCC2)N1CCSC[C@H]1c1nn[n-]n1 ZINC001362365367 959224418 /nfs/dbraw/zinc/22/44/18/959224418.db2.gz HEWPVVPQPPGMNQ-VIFPVBQESA-N -1 1 321.366 0.109 20 0 DCADMM CCc1c[nH]c(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)n1 ZINC001362369938 959230050 /nfs/dbraw/zinc/23/00/50/959230050.db2.gz TVVNDCFUBJQHJQ-SECBINFHSA-N -1 1 307.383 0.344 20 0 DCADMM CN1C(=O)COc2cc(NC(=O)CCCc3nn[n-]n3)ccc21 ZINC001362384567 959252795 /nfs/dbraw/zinc/25/27/95/959252795.db2.gz JDKYYJXPHSPMPN-UHFFFAOYSA-N -1 1 316.321 0.516 20 0 DCADMM CCC[C@H](NC(=O)[C@H]1CCc2nncn2CC1)c1nn[n-]n1 ZINC001362387357 959257989 /nfs/dbraw/zinc/25/79/89/959257989.db2.gz VEEPXQPFMKSXSR-UWVGGRQHSA-N 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606526756 /nfs/dbraw/zinc/52/67/56/606526756.db2.gz AUWHKABHBSVNLL-HTQZYQBOSA-N -1 1 320.378 0.654 20 0 DCADMM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820683412 606526759 /nfs/dbraw/zinc/52/67/59/606526759.db2.gz AUWHKABHBSVNLL-HTQZYQBOSA-N -1 1 320.378 0.654 20 0 DCADMM CC[C@H](C)NC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820876873 606527405 /nfs/dbraw/zinc/52/74/05/606527405.db2.gz VGAZWDGKKDZVLU-QMMMGPOBSA-N -1 1 322.394 0.963 20 0 DCADMM CC[C@H](C)NC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820876873 606527406 /nfs/dbraw/zinc/52/74/06/606527406.db2.gz VGAZWDGKKDZVLU-QMMMGPOBSA-N -1 1 322.394 0.963 20 0 DCADMM CN(C)C(=O)CCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821575426 606532769 /nfs/dbraw/zinc/53/27/69/606532769.db2.gz BNODGVURRVTCSG-UHFFFAOYSA-N -1 1 308.367 0.526 20 0 DCADMM CN(C)C(=O)CCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821575426 606532771 /nfs/dbraw/zinc/53/27/71/606532771.db2.gz BNODGVURRVTCSG-UHFFFAOYSA-N -1 1 308.367 0.526 20 0 DCADMM CCn1cnnc1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821566552 606554779 /nfs/dbraw/zinc/55/47/79/606554779.db2.gz JEQLFDLVYIFVHF-UHFFFAOYSA-N -1 1 318.366 0.512 20 0 DCADMM CCn1cnnc1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821566552 606554780 /nfs/dbraw/zinc/55/47/80/606554780.db2.gz JEQLFDLVYIFVHF-UHFFFAOYSA-N -1 1 318.366 0.512 20 0 DCADMM Cc1nncn1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822520197 606568766 /nfs/dbraw/zinc/56/87/66/606568766.db2.gz SVEACJTVUZSHLW-UHFFFAOYSA-N -1 1 304.339 0.258 20 0 DCADMM Cc1nncn1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822520197 606568768 /nfs/dbraw/zinc/56/87/68/606568768.db2.gz SVEACJTVUZSHLW-UHFFFAOYSA-N -1 1 304.339 0.258 20 0 DCADMM CC(C)C[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820055928 606595595 /nfs/dbraw/zinc/59/55/95/606595595.db2.gz LVZSGGQWOJWNMN-QMMMGPOBSA-N -1 1 308.346 0.129 20 0 DCADMM CC(C)C[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820055928 606595596 /nfs/dbraw/zinc/59/55/96/606595596.db2.gz LVZSGGQWOJWNMN-QMMMGPOBSA-N -1 1 308.346 0.129 20 0 DCADMM CO[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821678457 606604876 /nfs/dbraw/zinc/60/48/76/606604876.db2.gz NZEPFVJMEFCXBO-GHMZBOCLSA-N -1 1 302.338 0.805 20 0 DCADMM CO[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821678457 606604875 /nfs/dbraw/zinc/60/48/75/606604875.db2.gz NZEPFVJMEFCXBO-GHMZBOCLSA-N -1 1 302.338 0.805 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H]1C ZINC000821655900 606690199 /nfs/dbraw/zinc/69/01/99/606690199.db2.gz TZWHWTBVXQPYFA-JGVFFNPUSA-N -1 1 321.362 0.809 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H]1C ZINC000821655900 606690200 /nfs/dbraw/zinc/69/02/00/606690200.db2.gz TZWHWTBVXQPYFA-JGVFFNPUSA-N -1 1 321.362 0.809 20 0 DCADMM NC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c[nH]1 ZINC000822880712 606800429 /nfs/dbraw/zinc/80/04/29/606800429.db2.gz ZMJRIGMVCDCMRK-UHFFFAOYSA-N -1 1 303.307 0.608 20 0 DCADMM NC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c[nH]1 ZINC000822880712 606800431 /nfs/dbraw/zinc/80/04/31/606800431.db2.gz ZMJRIGMVCDCMRK-UHFFFAOYSA-N -1 1 303.307 0.608 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCOCC1 ZINC000820392213 606804526 /nfs/dbraw/zinc/80/45/26/606804526.db2.gz SOTPFCIYKHJYGP-VIFPVBQESA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCOCC1 ZINC000820392213 606804529 /nfs/dbraw/zinc/80/45/29/606804529.db2.gz SOTPFCIYKHJYGP-VIFPVBQESA-N -1 1 302.338 0.807 20 0 DCADMM CC(=O)N1CC[C@@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819789229 606952284 /nfs/dbraw/zinc/95/22/84/606952284.db2.gz KVPNNQKSNLCVER-SECBINFHSA-N -1 1 321.362 0.953 20 0 DCADMM CC(=O)N1CC[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819789229 606952286 /nfs/dbraw/zinc/95/22/86/606952286.db2.gz KVPNNQKSNLCVER-SECBINFHSA-N -1 1 321.362 0.953 20 0 DCADMM Cc1cc(OCC(=O)Nc2ncc(-c3nnn[n-]3)s2)no1 ZINC000822210504 607108233 /nfs/dbraw/zinc/10/82/33/607108233.db2.gz FIBWHQSNWQMMOB-UHFFFAOYSA-N -1 1 307.295 0.637 20 0 DCADMM Cc1cc(OCC(=O)Nc2ncc(-c3nn[n-]n3)s2)no1 ZINC000822210504 607108234 /nfs/dbraw/zinc/10/82/34/607108234.db2.gz FIBWHQSNWQMMOB-UHFFFAOYSA-N -1 1 307.295 0.637 20 0 DCADMM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820137296 607136972 /nfs/dbraw/zinc/13/69/72/607136972.db2.gz IKUAUEUCKGUGKB-SECBINFHSA-N -1 1 318.337 0.674 20 0 DCADMM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820137296 607136974 /nfs/dbraw/zinc/13/69/74/607136974.db2.gz IKUAUEUCKGUGKB-SECBINFHSA-N -1 1 318.337 0.674 20 0 DCADMM O=C(C[C@@H]1COC(=O)C1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822945746 607159087 /nfs/dbraw/zinc/15/90/87/607159087.db2.gz PMJILYLRKZOWEG-ZETCQYMHSA-N -1 1 303.278 0.464 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCF ZINC000822004194 607162308 /nfs/dbraw/zinc/16/23/08/607162308.db2.gz CCPQXELFLRDDHD-UHFFFAOYSA-N -1 1 322.344 0.993 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCc2occc21 ZINC000823126714 607206684 /nfs/dbraw/zinc/20/66/84/607206684.db2.gz MAWGHUNQOHBLBF-SECBINFHSA-N -1 1 314.309 0.245 20 0 DCADMM CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820979324 607207170 /nfs/dbraw/zinc/20/71/70/607207170.db2.gz GWZIYDHWDBKPEA-ZJUUUORDSA-N -1 1 304.358 0.543 20 0 DCADMM CCC1(C)CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820949881 607212255 /nfs/dbraw/zinc/21/22/55/607212255.db2.gz HCDBQBXUFFLWIY-UHFFFAOYSA-N -1 1 304.358 0.497 20 0 DCADMM Cc1csc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000822408398 607213664 /nfs/dbraw/zinc/21/36/64/607213664.db2.gz CSRQHYALFYWXEI-ZETCQYMHSA-N -1 1 319.354 0.101 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000823127117 607220073 /nfs/dbraw/zinc/22/00/73/607220073.db2.gz UCZUFMJVDXIUQQ-HBNTYKKESA-N -1 1 316.369 0.543 20 0 DCADMM Nc1ncncc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826396795 607849082 /nfs/dbraw/zinc/84/90/82/607849082.db2.gz LBDZOCSUNPGHSI-UHFFFAOYSA-N -1 1 309.746 0.961 20 0 DCADMM Nc1ncncc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826396795 607849083 /nfs/dbraw/zinc/84/90/83/607849083.db2.gz LBDZOCSUNPGHSI-UHFFFAOYSA-N -1 1 309.746 0.961 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826365652 607896596 /nfs/dbraw/zinc/89/65/96/607896596.db2.gz XGSPLCKVLLFXCP-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826365652 607896597 /nfs/dbraw/zinc/89/65/97/607896597.db2.gz XGSPLCKVLLFXCP-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM CC1=CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824858142 607906142 /nfs/dbraw/zinc/90/61/42/607906142.db2.gz IALLMAGNQWJNSV-UHFFFAOYSA-N -1 1 306.351 0.602 20 0 DCADMM CC1=CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824858142 607906143 /nfs/dbraw/zinc/90/61/43/607906143.db2.gz IALLMAGNQWJNSV-UHFFFAOYSA-N -1 1 306.351 0.602 20 0 DCADMM CCNC(=O)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825470693 607933982 /nfs/dbraw/zinc/93/39/82/607933982.db2.gz IJOHVUNXZMPSRA-UHFFFAOYSA-N -1 1 301.763 0.549 20 0 DCADMM CCNC(=O)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825470693 607933983 /nfs/dbraw/zinc/93/39/83/607933983.db2.gz IJOHVUNXZMPSRA-UHFFFAOYSA-N -1 1 301.763 0.549 20 0 DCADMM CCCCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825276002 607943760 /nfs/dbraw/zinc/94/37/60/607943760.db2.gz LYDMHMYHTBFAFJ-UHFFFAOYSA-N -1 1 304.354 0.886 20 0 DCADMM CCCCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825276002 607943761 /nfs/dbraw/zinc/94/37/61/607943761.db2.gz LYDMHMYHTBFAFJ-UHFFFAOYSA-N -1 1 304.354 0.886 20 0 DCADMM CCOC(=O)CN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825511781 607986887 /nfs/dbraw/zinc/98/68/87/607986887.db2.gz FLWOOZIJMMMOCZ-UHFFFAOYSA-N -1 1 313.321 0.809 20 0 DCADMM NC(=O)c1[nH]nc2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc21 ZINC000826394135 608018953 /nfs/dbraw/zinc/01/89/53/608018953.db2.gz YBLLNFJMNJCTDU-UHFFFAOYSA-N -1 1 321.304 0.981 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N(C1CC1)C1CCCC1 ZINC000826424962 608147565 /nfs/dbraw/zinc/14/75/65/608147565.db2.gz KFNVAOLIGUULED-UHFFFAOYSA-N -1 1 301.354 0.997 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N(C1CC1)C1CCCC1 ZINC000826424962 608147566 /nfs/dbraw/zinc/14/75/66/608147566.db2.gz KFNVAOLIGUULED-UHFFFAOYSA-N -1 1 301.354 0.997 20 0 DCADMM CN(CC(C)(C)S(C)(=O)=O)c1cccc(-c2nnn[n-]2)n1 ZINC000825897103 608148606 /nfs/dbraw/zinc/14/86/06/608148606.db2.gz BZNYPGIZDYDUKE-UHFFFAOYSA-N -1 1 310.383 0.521 20 0 DCADMM CN(CC(C)(C)S(C)(=O)=O)c1cccc(-c2nn[n-]n2)n1 ZINC000825897103 608148607 /nfs/dbraw/zinc/14/86/07/608148607.db2.gz BZNYPGIZDYDUKE-UHFFFAOYSA-N -1 1 310.383 0.521 20 0 DCADMM COC[C@H](CCO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000826149932 608185637 /nfs/dbraw/zinc/18/56/37/608185637.db2.gz SDJBGEDMPWWROQ-YFKPBYRVSA-N -1 1 304.763 0.786 20 0 DCADMM COC[C@H](CCO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000826149932 608185639 /nfs/dbraw/zinc/18/56/39/608185639.db2.gz SDJBGEDMPWWROQ-YFKPBYRVSA-N -1 1 304.763 0.786 20 0 DCADMM O=C1N[C@H](c2ccc(-c3nn[n-]n3)s2)N2CCSC[C@H]12 ZINC000826482098 608228641 /nfs/dbraw/zinc/22/86/41/608228641.db2.gz RTSLLOVMGVHNMR-LDWIPMOCSA-N -1 1 308.392 0.474 20 0 DCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1nnc2ccccn21 ZINC000824655474 608392845 /nfs/dbraw/zinc/39/28/45/608392845.db2.gz CVCIRGVBFQQRLE-QMMMGPOBSA-N -1 1 308.309 0.873 20 0 DCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1nnc2ccccn21 ZINC000824655474 608392846 /nfs/dbraw/zinc/39/28/46/608392846.db2.gz CVCIRGVBFQQRLE-QMMMGPOBSA-N -1 1 308.309 0.873 20 0 DCADMM CN(Cc1cccc(C(N)=O)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825976750 608402962 /nfs/dbraw/zinc/40/29/62/608402962.db2.gz OYKUBYNXSSTZPZ-UHFFFAOYSA-N -1 1 310.321 0.392 20 0 DCADMM CN(Cc1cccc(C(N)=O)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825976750 608402964 /nfs/dbraw/zinc/40/29/64/608402964.db2.gz OYKUBYNXSSTZPZ-UHFFFAOYSA-N -1 1 310.321 0.392 20 0 DCADMM CCOC(=O)C1(CNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC000825493943 608422992 /nfs/dbraw/zinc/42/29/92/608422992.db2.gz REDNRUZGIDFTNI-UHFFFAOYSA-N -1 1 303.326 0.802 20 0 DCADMM CCOC(=O)C1(CNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC000825493943 608422993 /nfs/dbraw/zinc/42/29/93/608422993.db2.gz REDNRUZGIDFTNI-UHFFFAOYSA-N -1 1 303.326 0.802 20 0 DCADMM CC(C)(CCS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824158444 608425495 /nfs/dbraw/zinc/42/54/95/608425495.db2.gz WZZFBAGNCCTBKW-UHFFFAOYSA-N -1 1 311.371 0.282 20 0 DCADMM CCCNC(=O)CN(CCC)c1ccc(-c2nnn[n-]2)nn1 ZINC000825328729 608428135 /nfs/dbraw/zinc/42/81/35/608428135.db2.gz WOUGRFDNVWRILB-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCCNC(=O)CN(CCC)c1ccc(-c2nn[n-]n2)nn1 ZINC000825328729 608428136 /nfs/dbraw/zinc/42/81/36/608428136.db2.gz WOUGRFDNVWRILB-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM COCC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(N)=O ZINC000826154947 608587863 /nfs/dbraw/zinc/58/78/63/608587863.db2.gz BAZMHNUCLGGEKQ-SCSAIBSYSA-N -1 1 317.762 0.279 20 0 DCADMM COCC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(N)=O ZINC000826154947 608587864 /nfs/dbraw/zinc/58/78/64/608587864.db2.gz BAZMHNUCLGGEKQ-SCSAIBSYSA-N -1 1 317.762 0.279 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@@H]1CCO ZINC000826472637 608626555 /nfs/dbraw/zinc/62/65/55/608626555.db2.gz RDLAKKWHHBCGDX-QMMMGPOBSA-N -1 1 309.351 0.152 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@@H]1CCO ZINC000826472637 608626558 /nfs/dbraw/zinc/62/65/58/608626558.db2.gz RDLAKKWHHBCGDX-QMMMGPOBSA-N -1 1 309.351 0.152 20 0 DCADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824051681 608701021 /nfs/dbraw/zinc/70/10/21/608701021.db2.gz BYALIGKLPGRKNU-BDAKNGLRSA-N -1 1 313.383 0.713 20 0 DCADMM C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824051681 608701022 /nfs/dbraw/zinc/70/10/22/608701022.db2.gz BYALIGKLPGRKNU-BDAKNGLRSA-N -1 1 313.383 0.713 20 0 DCADMM CC(C)N(CCS(C)(=O)=O)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824288280 608730353 /nfs/dbraw/zinc/73/03/53/608730353.db2.gz BYADBNCGOVRDIM-UHFFFAOYSA-N -1 1 313.383 0.715 20 0 DCADMM CC(C)N(CCS(C)(=O)=O)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824288280 608730355 /nfs/dbraw/zinc/73/03/55/608730355.db2.gz BYADBNCGOVRDIM-UHFFFAOYSA-N -1 1 313.383 0.715 20 0 DCADMM COCc1noc(COC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC000826165561 609239193 /nfs/dbraw/zinc/23/91/93/609239193.db2.gz APXRXGOCLBIEIN-UHFFFAOYSA-N -1 1 322.306 0.815 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC1CC1 ZINC000825929847 609299193 /nfs/dbraw/zinc/29/91/93/609299193.db2.gz MDWFQICOGZHYQT-UHFFFAOYSA-N -1 1 319.373 0.156 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC1CC1 ZINC000825929847 609299195 /nfs/dbraw/zinc/29/91/95/609299195.db2.gz MDWFQICOGZHYQT-UHFFFAOYSA-N -1 1 319.373 0.156 20 0 DCADMM COC[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)OC ZINC000826149162 609312899 /nfs/dbraw/zinc/31/28/99/609312899.db2.gz ATWXYHQHSMZUHE-VIFPVBQESA-N -1 1 315.337 0.883 20 0 DCADMM COC[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)OC ZINC000826149162 609312901 /nfs/dbraw/zinc/31/29/01/609312901.db2.gz ATWXYHQHSMZUHE-VIFPVBQESA-N -1 1 315.337 0.883 20 0 DCADMM CCN(Cc1cn(C)nn1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825440032 609410234 /nfs/dbraw/zinc/41/02/34/609410234.db2.gz ZDMYYXPYFHBIJS-UHFFFAOYSA-N -1 1 318.366 0.719 20 0 DCADMM CCN(Cc1cn(C)nn1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825440032 609410235 /nfs/dbraw/zinc/41/02/35/609410235.db2.gz ZDMYYXPYFHBIJS-UHFFFAOYSA-N -1 1 318.366 0.719 20 0 DCADMM CN(C)c1ncc(CN(C)c2nccnc2-c2nnn[n-]2)cn1 ZINC000825883148 609555848 /nfs/dbraw/zinc/55/58/48/609555848.db2.gz CFYJDRMCGLLLBT-UHFFFAOYSA-N -1 1 312.341 0.149 20 0 DCADMM CN(C)c1ncc(CN(C)c2nccnc2-c2nn[n-]n2)cn1 ZINC000825883148 609555850 /nfs/dbraw/zinc/55/58/50/609555850.db2.gz CFYJDRMCGLLLBT-UHFFFAOYSA-N -1 1 312.341 0.149 20 0 DCADMM C[C@@H](C[S@@](C)=O)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824449757 609598122 /nfs/dbraw/zinc/59/81/22/609598122.db2.gz PHSHORCZYRXPDA-QSIZCVBASA-N -1 1 317.378 0.989 20 0 DCADMM C[C@@H](C[S@@](C)=O)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824449757 609598124 /nfs/dbraw/zinc/59/81/24/609598124.db2.gz PHSHORCZYRXPDA-QSIZCVBASA-N -1 1 317.378 0.989 20 0 DCADMM c1cc(-c2nnn[n-]2)nc(N2CCOCC3(CCOCC3)C2)c1 ZINC000826514084 609607781 /nfs/dbraw/zinc/60/77/81/609607781.db2.gz 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DCADMM COC(=O)CCCC(=O)N1CC[C@@H](c2[nH]ncc2C(=O)[O-])C1 ZINC001573921886 1163587613 /nfs/dbraw/zinc/58/76/13/1163587613.db2.gz SUSSTVCRHZVPAO-SECBINFHSA-N -1 1 309.322 0.767 20 0 DCADMM CC(C)C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001573950155 1163598008 /nfs/dbraw/zinc/59/80/08/1163598008.db2.gz PEPPQEBFQUEQNE-NXEZZACHSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001573950155 1163598014 /nfs/dbraw/zinc/59/80/14/1163598014.db2.gz PEPPQEBFQUEQNE-NXEZZACHSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573951514 1163599944 /nfs/dbraw/zinc/59/99/44/1163599944.db2.gz WKTNAPFLQMCGNJ-UHFFFAOYSA-N -1 1 316.369 0.138 20 0 DCADMM CC(C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573964878 1163605422 /nfs/dbraw/zinc/60/54/22/1163605422.db2.gz SWLVHYWZFCYZMD-JTQLQIEISA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573962815 1163605575 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COC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2n[nH]c(C)n2)C1 ZINC001573968931 1163612747 /nfs/dbraw/zinc/61/27/47/1163612747.db2.gz NAQIOZUUOULXFL-CYBMUJFWSA-N -1 1 311.342 0.136 20 0 DCADMM COCc1nc(CNc2cc(CCC(=O)[O-])nc(C)n2)n[nH]1 ZINC001573992494 1163618851 /nfs/dbraw/zinc/61/88/51/1163618851.db2.gz HAPHQAAGPBIQEH-UHFFFAOYSA-N -1 1 306.326 0.679 20 0 DCADMM COc1ccc([C@H](CCO)NCC(=O)N(C)CC(=O)[O-])cc1 ZINC001574023711 1163626043 /nfs/dbraw/zinc/62/60/43/1163626043.db2.gz LEXWINFIOOFVIG-ZDUSSCGKSA-N -1 1 310.350 0.251 20 0 DCADMM CSCC[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1nn[nH]n1 ZINC001574096500 1163634285 /nfs/dbraw/zinc/63/42/85/1163634285.db2.gz OHUBOFAORXGKFJ-ZETCQYMHSA-N -1 1 301.372 0.611 20 0 DCADMM Cc1nnc2n1CCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1)[C@@H]2C ZINC001574197033 1163659020 /nfs/dbraw/zinc/65/90/20/1163659020.db2.gz GIIUUOULOJUALM-PWSUYJOCSA-N -1 1 321.381 0.286 20 0 DCADMM Cn1cc(N2CCC[C@H](N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)C2=O)cn1 ZINC001574213626 1163667709 /nfs/dbraw/zinc/66/77/09/1163667709.db2.gz OHJHAHXFEMXHIM-ZOBORPQBSA-N -1 1 318.377 0.568 20 0 DCADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC2(c3nc[nH]n3)CCC2)C1 ZINC001574299450 1163689817 /nfs/dbraw/zinc/68/98/17/1163689817.db2.gz JEASKISKUAGXLH-SNVBAGLBSA-N -1 1 307.354 0.097 20 0 DCADMM O=C([O-])[C@@H](NC(=O)c1cncc2nc[nH]c21)C1CCOCC1 ZINC001574308349 1163692782 /nfs/dbraw/zinc/69/27/82/1163692782.db2.gz JDSCNDGLQGBDNG-NSHDSACASA-N -1 1 304.306 0.568 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@@H]1CCN(C(=O)c2ccc(CO)nc2)C1 ZINC001574414926 1163717985 /nfs/dbraw/zinc/71/79/85/1163717985.db2.gz LBNIRWXRKYPDOJ-SNVBAGLBSA-N -1 1 316.317 0.625 20 0 DCADMM O=C([O-])c1n[nH]c(CNC2CCN(CC(F)(F)F)CC2)n1 ZINC001574422802 1163719409 /nfs/dbraw/zinc/71/94/09/1163719409.db2.gz NEOIWLAORQBVBQ-UHFFFAOYSA-N -1 1 307.276 0.619 20 0 DCADMM C[C@@H](C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC1 ZINC001574542681 1163729788 /nfs/dbraw/zinc/72/97/88/1163729788.db2.gz NTAQRBYSHYOKHE-IUCAKERBSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@@H](C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC1 ZINC001574542681 1163729793 /nfs/dbraw/zinc/72/97/93/1163729793.db2.gz NTAQRBYSHYOKHE-IUCAKERBSA-N -1 1 316.369 0.762 20 0 DCADMM COC(=O)c1ccoc1S(=O)(=O)NC1(C(=O)[O-])CCC1 ZINC001574577475 1163732367 /nfs/dbraw/zinc/73/23/67/1163732367.db2.gz UAEHJLGKXFGVNU-UHFFFAOYSA-N -1 1 303.292 0.352 20 0 DCADMM C[C@H](CCNC(=O)C(C)(C)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574586563 1163733191 /nfs/dbraw/zinc/73/31/91/1163733191.db2.gz GGJGYEIWVBBLNF-MRVPVSSYSA-N -1 1 322.348 0.133 20 0 DCADMM C[C@H](CCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)F ZINC001574673363 1163739046 /nfs/dbraw/zinc/73/90/46/1163739046.db2.gz MEIXIIIRBDMCGJ-MRVPVSSYSA-N -1 1 322.348 0.133 20 0 DCADMM C[C@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1C[C@H]1C ZINC001574663904 1163739130 /nfs/dbraw/zinc/73/91/30/1163739130.db2.gz QYHJTJBYJNVKPG-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1C[C@H]1C ZINC001574663904 1163739135 /nfs/dbraw/zinc/73/91/35/1163739135.db2.gz QYHJTJBYJNVKPG-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)C(C)(C)C ZINC001574810573 1163757080 /nfs/dbraw/zinc/75/70/80/1163757080.db2.gz VQVZLHYBEHBYKA-SECBINFHSA-N -1 1 318.385 0.644 20 0 DCADMM C[C@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)C(C)(C)C ZINC001574810573 1163757089 /nfs/dbraw/zinc/75/70/89/1163757089.db2.gz VQVZLHYBEHBYKA-SECBINFHSA-N -1 1 318.385 0.644 20 0 DCADMM C[C@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1C ZINC001574811132 1163757847 /nfs/dbraw/zinc/75/78/47/1163757847.db2.gz JPDZTKHJSVOMHQ-OPRDCNLKSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1C ZINC001574811132 1163757850 /nfs/dbraw/zinc/75/78/50/1163757850.db2.gz JPDZTKHJSVOMHQ-OPRDCNLKSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)C ZINC001574811730 1163758335 /nfs/dbraw/zinc/75/83/35/1163758335.db2.gz WTIPUALWDFXYQM-VIFPVBQESA-N -1 1 318.385 0.644 20 0 DCADMM C[C@@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C ZINC001574811730 1163758343 /nfs/dbraw/zinc/75/83/43/1163758343.db2.gz WTIPUALWDFXYQM-VIFPVBQESA-N -1 1 318.385 0.644 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC1(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574862587 1163776109 /nfs/dbraw/zinc/77/61/09/1163776109.db2.gz USNBQKISGPSKKB-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC1(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574862587 1163776114 /nfs/dbraw/zinc/77/61/14/1163776114.db2.gz USNBQKISGPSKKB-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC12CC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574863412 1163776796 /nfs/dbraw/zinc/77/67/96/1163776796.db2.gz YMJFGRWLVYJHCP-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC12CC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574863412 1163776799 /nfs/dbraw/zinc/77/67/99/1163776799.db2.gz YMJFGRWLVYJHCP-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001575304052 1163968631 /nfs/dbraw/zinc/96/86/31/1163968631.db2.gz QOOMMIMYXGFPPR-MRVPVSSYSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001575304052 1163968640 /nfs/dbraw/zinc/96/86/40/1163968640.db2.gz QOOMMIMYXGFPPR-MRVPVSSYSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001575491558 1164033918 /nfs/dbraw/zinc/03/39/18/1164033918.db2.gz IBCXRHBOBHLPST-DTWKUNHWSA-N -1 1 321.341 0.503 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576083456 1164235786 /nfs/dbraw/zinc/23/57/86/1164235786.db2.gz DGOVRPBNNCHWDQ-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576083456 1164235789 /nfs/dbraw/zinc/23/57/89/1164235789.db2.gz DGOVRPBNNCHWDQ-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576231672 1164276206 /nfs/dbraw/zinc/27/62/06/1164276206.db2.gz IABJOFDCAJFXOG-KCJUWKMLSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576231672 1164276212 /nfs/dbraw/zinc/27/62/12/1164276212.db2.gz IABJOFDCAJFXOG-KCJUWKMLSA-N -1 1 314.353 0.326 20 0 DCADMM C/C=C/[C@H](O)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001576405659 1164328128 /nfs/dbraw/zinc/32/81/28/1164328128.db2.gz MGZVYMIEUPYNSL-PBKGFPTLSA-N -1 1 309.276 0.698 20 0 DCADMM C/C=C/[C@H](O)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001576405659 1164328133 /nfs/dbraw/zinc/32/81/33/1164328133.db2.gz MGZVYMIEUPYNSL-PBKGFPTLSA-N -1 1 309.276 0.698 20 0 DCADMM CCC(=O)N(C)C[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576409696 1164331132 /nfs/dbraw/zinc/33/11/32/1164331132.db2.gz HWQMRESRUMQNGD-VIFPVBQESA-N -1 1 304.358 0.634 20 0 DCADMM CCC(=O)N(C)C[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576409696 1164331138 /nfs/dbraw/zinc/33/11/38/1164331138.db2.gz HWQMRESRUMQNGD-VIFPVBQESA-N -1 1 304.358 0.634 20 0 DCADMM CCC(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576415169 1164333550 /nfs/dbraw/zinc/33/35/50/1164333550.db2.gz LQJQUZYMJYXKIR-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576415169 1164333559 /nfs/dbraw/zinc/33/35/59/1164333559.db2.gz LQJQUZYMJYXKIR-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576415266 1164334648 /nfs/dbraw/zinc/33/46/48/1164334648.db2.gz OFAVZVXOYIYGPJ-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576415266 1164334652 /nfs/dbraw/zinc/33/46/52/1164334652.db2.gz OFAVZVXOYIYGPJ-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001576425009 1164339461 /nfs/dbraw/zinc/33/94/61/1164339461.db2.gz IXCDRAQJRMGFRX-AWEZNQCLSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001576425009 1164339471 /nfs/dbraw/zinc/33/94/71/1164339471.db2.gz IXCDRAQJRMGFRX-AWEZNQCLSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576440230 1164342762 /nfs/dbraw/zinc/34/27/62/1164342762.db2.gz HNQIMHBCKKONBS-NXEZZACHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576440230 1164342773 /nfs/dbraw/zinc/34/27/73/1164342773.db2.gz HNQIMHBCKKONBS-NXEZZACHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001576471155 1164354090 /nfs/dbraw/zinc/35/40/90/1164354090.db2.gz LOSCGGCMCIVTIO-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001576471155 1164354096 /nfs/dbraw/zinc/35/40/96/1164354096.db2.gz LOSCGGCMCIVTIO-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576486369 1164363606 /nfs/dbraw/zinc/36/36/06/1164363606.db2.gz HKDBGUHFHPUDCM-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CCC(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576486369 1164363612 /nfs/dbraw/zinc/36/36/12/1164363612.db2.gz HKDBGUHFHPUDCM-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576576993 1164402360 /nfs/dbraw/zinc/40/23/60/1164402360.db2.gz QRONUUOALLCRBT-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576576993 1164402366 /nfs/dbraw/zinc/40/23/66/1164402366.db2.gz QRONUUOALLCRBT-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)CC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576618174 1164414706 /nfs/dbraw/zinc/41/47/06/1164414706.db2.gz RSHLBGVDMQOZKX-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)CC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576618174 1164414713 /nfs/dbraw/zinc/41/47/13/1164414713.db2.gz RSHLBGVDMQOZKX-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)CC(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576631050 1164417793 /nfs/dbraw/zinc/41/77/93/1164417793.db2.gz ZZHXTFUBNCVJDY-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)CC(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576631050 1164417799 /nfs/dbraw/zinc/41/77/99/1164417799.db2.gz ZZHXTFUBNCVJDY-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](CNC(=O)C1(C)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576779821 1164461830 /nfs/dbraw/zinc/46/18/30/1164461830.db2.gz UDJPSBHCUFOBIH-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)C1(C)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576779821 1164461835 /nfs/dbraw/zinc/46/18/35/1164461835.db2.gz UDJPSBHCUFOBIH-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576928160 1164537259 /nfs/dbraw/zinc/53/72/59/1164537259.db2.gz RTIWKVPXJWZKTC-VIFPVBQESA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576928160 1164537264 /nfs/dbraw/zinc/53/72/64/1164537264.db2.gz RTIWKVPXJWZKTC-VIFPVBQESA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576927313 1164538389 /nfs/dbraw/zinc/53/83/89/1164538389.db2.gz VHMISRSKCLEIPC-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576927313 1164538397 /nfs/dbraw/zinc/53/83/97/1164538397.db2.gz VHMISRSKCLEIPC-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576939488 1164545709 /nfs/dbraw/zinc/54/57/09/1164545709.db2.gz FEMGXHQFCRQMCV-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576939488 1164545714 /nfs/dbraw/zinc/54/57/14/1164545714.db2.gz FEMGXHQFCRQMCV-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576942518 1164548668 /nfs/dbraw/zinc/54/86/68/1164548668.db2.gz RBUSRHQLNXFMKU-BDAKNGLRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576942518 1164548673 /nfs/dbraw/zinc/54/86/73/1164548673.db2.gz RBUSRHQLNXFMKU-BDAKNGLRSA-N -1 1 320.332 0.418 20 0 DCADMM CCCC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577197936 1164630786 /nfs/dbraw/zinc/63/07/86/1164630786.db2.gz NYMRUEIUFWTHAH-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577197936 1164630788 /nfs/dbraw/zinc/63/07/88/1164630788.db2.gz NYMRUEIUFWTHAH-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001577197896 1164631640 /nfs/dbraw/zinc/63/16/40/1164631640.db2.gz MTEHUXUJQFNNTJ-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001577197896 1164631642 /nfs/dbraw/zinc/63/16/42/1164631642.db2.gz MTEHUXUJQFNNTJ-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCC[C@@H](C)C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577270022 1164655591 /nfs/dbraw/zinc/65/55/91/1164655591.db2.gz PUHDTSKBDSNHRO-ZJUUUORDSA-N -1 1 318.385 0.431 20 0 DCADMM CCC[C@@H](C)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577279112 1164658649 /nfs/dbraw/zinc/65/86/49/1164658649.db2.gz YIWFDAKJVHHGIR-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CCCCC(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001577408056 1164686103 /nfs/dbraw/zinc/68/61/03/1164686103.db2.gz IVXZECULCYRORV-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001577408056 1164686106 /nfs/dbraw/zinc/68/61/06/1164686106.db2.gz IVXZECULCYRORV-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577425880 1164690432 /nfs/dbraw/zinc/69/04/32/1164690432.db2.gz DQQIJYNOCZXNKG-AOOOYVTPSA-N -1 1 316.369 0.906 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577425880 1164690439 /nfs/dbraw/zinc/69/04/39/1164690439.db2.gz DQQIJYNOCZXNKG-AOOOYVTPSA-N -1 1 316.369 0.906 20 0 DCADMM CCCN(C(C)=O)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577547408 1164721703 /nfs/dbraw/zinc/72/17/03/1164721703.db2.gz LAISBJLGHYQOQO-NSHDSACASA-N -1 1 316.369 0.494 20 0 DCADMM CCCn1cc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)nn1 ZINC001577773676 1164789793 /nfs/dbraw/zinc/78/97/93/1164789793.db2.gz VGZRHIDOHIQYIE-UHFFFAOYSA-N -1 1 319.354 0.885 20 0 DCADMM CCCn1cc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)nn1 ZINC001577773676 1164789800 /nfs/dbraw/zinc/78/98/00/1164789800.db2.gz VGZRHIDOHIQYIE-UHFFFAOYSA-N -1 1 319.354 0.885 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@H]1C)c1cncc(-c2nnn[n-]2)n1 ZINC001577942814 1164855343 /nfs/dbraw/zinc/85/53/43/1164855343.db2.gz ZWCHKEWQPARBAT-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@H]1C)c1cncc(-c2nn[n-]n2)n1 ZINC001577942814 1164855349 /nfs/dbraw/zinc/85/53/49/1164855349.db2.gz ZWCHKEWQPARBAT-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCOC(=O)CC(C)(C)CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001578244026 1164963890 /nfs/dbraw/zinc/96/38/90/1164963890.db2.gz IWKSTWKKRRPVMV-UHFFFAOYSA-N -1 1 321.341 0.898 20 0 DCADMM CCOC(=O)c1cnn(C[C@H]2CCCC[C@H]2O)c1-c1nn[n-]n1 ZINC001578254347 1164964697 /nfs/dbraw/zinc/96/46/97/1164964697.db2.gz LCIUMFVDYJOPNR-MWLCHTKSSA-N -1 1 320.353 0.791 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001578434187 1165015986 /nfs/dbraw/zinc/01/59/86/1165015986.db2.gz GUZOCUKVJXRQKP-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001578434187 1165015995 /nfs/dbraw/zinc/01/59/95/1165015995.db2.gz GUZOCUKVJXRQKP-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CCc1cnccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001578560870 1165060948 /nfs/dbraw/zinc/06/09/48/1165060948.db2.gz YZKJRIFXPXNPPD-UHFFFAOYSA-N -1 1 309.333 0.822 20 0 DCADMM CCc1[nH]nc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1C ZINC001578564360 1165062918 /nfs/dbraw/zinc/06/29/18/1165062918.db2.gz WMXVFXYJIYFAOQ-ZETCQYMHSA-N -1 1 316.329 0.252 20 0 DCADMM CCc1nc(N[C@@H](CNC(C)=O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001578631882 1165071756 /nfs/dbraw/zinc/07/17/56/1165071756.db2.gz AJKJAWPSBBPPIH-NSHDSACASA-N -1 1 318.385 0.792 20 0 DCADMM CCc1nc(N[C@@H](CNC(C)=O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001578631882 1165071763 /nfs/dbraw/zinc/07/17/63/1165071763.db2.gz AJKJAWPSBBPPIH-NSHDSACASA-N -1 1 318.385 0.792 20 0 DCADMM CCc1nc(N[C@H]2CCN(C(C)=O)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001578647141 1165076896 /nfs/dbraw/zinc/07/68/96/1165076896.db2.gz YDBZWBJCJHSZQV-SCZZXKLOSA-N -1 1 316.369 0.640 20 0 DCADMM CCc1nc(N[C@H]2CCN(C(C)=O)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001578647141 1165076901 /nfs/dbraw/zinc/07/69/01/1165076901.db2.gz YDBZWBJCJHSZQV-SCZZXKLOSA-N -1 1 316.369 0.640 20 0 DCADMM CCn1ccnc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001578794858 1165114637 /nfs/dbraw/zinc/11/46/37/1165114637.db2.gz OQMIYAXFCTVFBI-UHFFFAOYSA-N -1 1 302.298 0.561 20 0 DCADMM CCn1ccnc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001578794858 1165114645 /nfs/dbraw/zinc/11/46/45/1165114645.db2.gz OQMIYAXFCTVFBI-UHFFFAOYSA-N -1 1 302.298 0.561 20 0 DCADMM CN(C(=O)C1CC1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001578847483 1165139529 /nfs/dbraw/zinc/13/95/29/1165139529.db2.gz BNOHPLVHAUXIQP-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM CN(C(=O)C1CC1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001578847483 1165139535 /nfs/dbraw/zinc/13/95/35/1165139535.db2.gz BNOHPLVHAUXIQP-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM CN(C[C@@H](O)c1cccnc1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579064052 1165197362 /nfs/dbraw/zinc/19/73/62/1165197362.db2.gz TVVORDFIKGJTHQ-SNVBAGLBSA-N -1 1 314.305 0.660 20 0 DCADMM CN(C[C@@H](O)c1cccnc1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579064052 1165197367 /nfs/dbraw/zinc/19/73/67/1165197367.db2.gz TVVORDFIKGJTHQ-SNVBAGLBSA-N -1 1 314.305 0.660 20 0 DCADMM CN(CCNC(=O)[C@@H]1CC12CC2)c1ccnc(-c2nn[n-]n2)n1 ZINC001579167363 1165228272 /nfs/dbraw/zinc/22/82/72/1165228272.db2.gz UTNNOQUEZFEFPX-VIFPVBQESA-N -1 1 314.353 0.009 20 0 DCADMM CN(CCNC(=O)C1=CCCC1)c1nccnc1-c1nnn[n-]1 ZINC001579166247 1165228601 /nfs/dbraw/zinc/22/86/01/1165228601.db2.gz AHOJFTXWIPVENQ-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CN(CCNC(=O)C1=CCCC1)c1nccnc1-c1nn[n-]n1 ZINC001579166247 1165228605 /nfs/dbraw/zinc/22/86/05/1165228605.db2.gz AHOJFTXWIPVENQ-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CN(CCNC(=O)[C@@H]1CC12CC2)c1cncc(-c2nnn[n-]2)n1 ZINC001579167234 1165229128 /nfs/dbraw/zinc/22/91/28/1165229128.db2.gz QHRVKKZOHFPHET-VIFPVBQESA-N -1 1 314.353 0.009 20 0 DCADMM CN(CCNC(=O)[C@@H]1CC12CC2)c1cncc(-c2nn[n-]n2)n1 ZINC001579167234 1165229134 /nfs/dbraw/zinc/22/91/34/1165229134.db2.gz QHRVKKZOHFPHET-VIFPVBQESA-N -1 1 314.353 0.009 20 0 DCADMM CN(CCNC(=O)CC1(C)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001579173963 1165229769 /nfs/dbraw/zinc/22/97/69/1165229769.db2.gz IYGGLHAQTYDPCP-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)CC1(C)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001579173963 1165229774 /nfs/dbraw/zinc/22/97/74/1165229774.db2.gz IYGGLHAQTYDPCP-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)CC1CCC1 ZINC001579215593 1165240256 /nfs/dbraw/zinc/24/02/56/1165240256.db2.gz VQJGFPZRMQJLNH-UHFFFAOYSA-N -1 1 316.369 0.139 20 0 DCADMM CN1C(=O)c2ccccc2[C@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001579311625 1165268743 /nfs/dbraw/zinc/26/87/43/1165268743.db2.gz LZEOUCMFEYTZTA-CQSZACIVSA-N -1 1 321.344 0.922 20 0 DCADMM CN1C(=O)c2ccccc2[C@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001579311625 1165268748 /nfs/dbraw/zinc/26/87/48/1165268748.db2.gz LZEOUCMFEYTZTA-CQSZACIVSA-N -1 1 321.344 0.922 20 0 DCADMM CNC(=O)[C@@H](C)NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001579383665 1165293780 /nfs/dbraw/zinc/29/37/80/1165293780.db2.gz VFYSIUZLQFAKSS-SSDOTTSWSA-N -1 1 313.321 0.212 20 0 DCADMM CNC(=O)CCN(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579394024 1165297022 /nfs/dbraw/zinc/29/70/22/1165297022.db2.gz LGIWAVAJJNDYAK-UHFFFAOYSA-N -1 1 323.382 0.206 20 0 DCADMM CO[C@@H]1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001579617707 1165362440 /nfs/dbraw/zinc/36/24/40/1165362440.db2.gz FQIBRHQMZNZWFY-LDYMZIIASA-N -1 1 320.353 0.589 20 0 DCADMM CO[C@@H]1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001579617707 1165362443 /nfs/dbraw/zinc/36/24/43/1165362443.db2.gz FQIBRHQMZNZWFY-LDYMZIIASA-N -1 1 320.353 0.589 20 0 DCADMM COCC(C)(C)CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001579658597 1165372105 /nfs/dbraw/zinc/37/21/05/1165372105.db2.gz LJCMSWPOXKPNRN-UHFFFAOYSA-N -1 1 304.354 0.941 20 0 DCADMM COCC(C)(C)CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001579658597 1165372113 /nfs/dbraw/zinc/37/21/13/1165372113.db2.gz LJCMSWPOXKPNRN-UHFFFAOYSA-N -1 1 304.354 0.941 20 0 DCADMM COCCc1nnc(SCc2ccc(-c3nnn[n-]3)o2)n1N ZINC001579817804 1165401803 /nfs/dbraw/zinc/40/18/03/1165401803.db2.gz QRCNMCFCQZANQX-UHFFFAOYSA-N -1 1 322.354 0.246 20 0 DCADMM COCCc1nnc(SCc2ccc(-c3nn[n-]n3)o2)n1N ZINC001579817804 1165401811 /nfs/dbraw/zinc/40/18/11/1165401811.db2.gz QRCNMCFCQZANQX-UHFFFAOYSA-N -1 1 322.354 0.246 20 0 DCADMM COCc1ccnc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001579836912 1165406213 /nfs/dbraw/zinc/40/62/13/1165406213.db2.gz PEJRNNGORGAEIJ-UHFFFAOYSA-N -1 1 312.293 0.450 20 0 DCADMM COCc1ccnc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001579836912 1165406220 /nfs/dbraw/zinc/40/62/20/1165406220.db2.gz PEJRNNGORGAEIJ-UHFFFAOYSA-N -1 1 312.293 0.450 20 0 DCADMM COc1c(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cnn1C ZINC001579871596 1165418690 /nfs/dbraw/zinc/41/86/90/1165418690.db2.gz UCLJLPSOFONECC-UHFFFAOYSA-N -1 1 319.350 0.600 20 0 DCADMM COc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cnncc1[O-] ZINC001579969215 1165453741 /nfs/dbraw/zinc/45/37/41/1165453741.db2.gz GTYSUSIXTIKUBS-UHFFFAOYSA-N -1 1 313.277 0.623 20 0 DCADMM COc1ncccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001580146534 1165518971 /nfs/dbraw/zinc/51/89/71/1165518971.db2.gz BLAOFWJSYFVBFF-UHFFFAOYSA-N -1 1 311.305 0.847 20 0 DCADMM COc1ncccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001580146534 1165518978 /nfs/dbraw/zinc/51/89/78/1165518978.db2.gz BLAOFWJSYFVBFF-UHFFFAOYSA-N -1 1 311.305 0.847 20 0 DCADMM COc1ncccc1C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001580146561 1165519361 /nfs/dbraw/zinc/51/93/61/1165519361.db2.gz CNHKDQLGMZAHBL-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ncccc1C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001580146561 1165519369 /nfs/dbraw/zinc/51/93/69/1165519369.db2.gz CNHKDQLGMZAHBL-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM CS(=O)(=O)c1ccc(Cn2ccc(-c3nn[n-]n3)cc2=O)o1 ZINC001580171084 1165526164 /nfs/dbraw/zinc/52/61/64/1165526164.db2.gz GPWLIWJJFYYXEV-UHFFFAOYSA-N -1 1 321.318 0.073 20 0 DCADMM C[S@](=O)[C@H]1CC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001580171882 1165526358 /nfs/dbraw/zinc/52/63/58/1165526358.db2.gz ANYDETLEQKTMNK-PCVAMMEBSA-N -1 1 320.378 0.291 20 0 DCADMM C[S@](=O)[C@H]1CC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001580171882 1165526362 /nfs/dbraw/zinc/52/63/62/1165526362.db2.gz ANYDETLEQKTMNK-PCVAMMEBSA-N -1 1 320.378 0.291 20 0 DCADMM CS(=O)(=O)c1cccc(Oc2nnccc2-c2nnn[n-]2)c1 ZINC001580172272 1165528104 /nfs/dbraw/zinc/52/81/04/1165528104.db2.gz RKZCVBAFZFNQML-UHFFFAOYSA-N -1 1 318.318 0.853 20 0 DCADMM CS(=O)(=O)c1cccc(Oc2nnccc2-c2nn[n-]n2)c1 ZINC001580172272 1165528110 /nfs/dbraw/zinc/52/81/10/1165528110.db2.gz RKZCVBAFZFNQML-UHFFFAOYSA-N -1 1 318.318 0.853 20 0 DCADMM CS[C@H](C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001580174609 1165528219 /nfs/dbraw/zinc/52/82/19/1165528219.db2.gz GVAYAKXUWITLBN-MRVPVSSYSA-N -1 1 322.398 0.279 20 0 DCADMM CS[C@H](C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001580174609 1165528230 /nfs/dbraw/zinc/52/82/30/1165528230.db2.gz GVAYAKXUWITLBN-MRVPVSSYSA-N -1 1 322.398 0.279 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ncc[nH]1 ZINC001580308940 1165565515 /nfs/dbraw/zinc/56/55/15/1165565515.db2.gz TUJCASANXHRCRT-SSDOTTSWSA-N -1 1 320.338 0.024 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ncc[nH]1 ZINC001580308940 1165565523 /nfs/dbraw/zinc/56/55/23/1165565523.db2.gz TUJCASANXHRCRT-SSDOTTSWSA-N -1 1 320.338 0.024 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001580369908 1165586490 /nfs/dbraw/zinc/58/64/90/1165586490.db2.gz OAYFTSLTUXNYSQ-KXUCPTDWSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001580369908 1165586498 /nfs/dbraw/zinc/58/64/98/1165586498.db2.gz OAYFTSLTUXNYSQ-KXUCPTDWSA-N -1 1 314.353 0.008 20 0 DCADMM Nc1ccc(CC(=O)N2CCSC[C@H]2c2nn[n-]n2)nc1 ZINC001580442896 1165603407 /nfs/dbraw/zinc/60/34/07/1165603407.db2.gz KNUPTBGXDLLPOI-JTQLQIEISA-N -1 1 305.367 0.036 20 0 DCADMM C[C@H]1[C@@H](O)CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001580456199 1165607427 /nfs/dbraw/zinc/60/74/27/1165607427.db2.gz KEVORMKDZHZOMC-WPRPVWTQSA-N -1 1 322.394 0.983 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)[C@@H]1CCC[C@H]1O ZINC001580596005 1165648257 /nfs/dbraw/zinc/64/82/57/1165648257.db2.gz GGCMKBGNZDUSGC-NXEZZACHSA-N -1 1 318.337 0.261 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCc2ncccc21 ZINC001580601341 1165650965 /nfs/dbraw/zinc/65/09/65/1165650965.db2.gz WQNBJARSZOVSBL-UHFFFAOYSA-N -1 1 323.316 0.874 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CS[C@H](C)C1 ZINC001580605400 1165654058 /nfs/dbraw/zinc/65/40/58/1165654058.db2.gz ZDEPXDYRTTUOQK-SFYZADRCSA-N -1 1 320.378 0.900 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ccn(C)n1 ZINC001580608529 1165656039 /nfs/dbraw/zinc/65/60/39/1165656039.db2.gz DPIKHPVHVHZMRK-UHFFFAOYSA-N -1 1 300.282 0.262 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CNC(=O)C(C)(C)C)n1 ZINC001580695962 1165689787 /nfs/dbraw/zinc/68/97/87/1165689787.db2.gz SJGLLYBNKRZKDD-VIFPVBQESA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CNC(=O)C(C)(C)C)n1 ZINC001580695962 1165689789 /nfs/dbraw/zinc/68/97/89/1165689789.db2.gz SJGLLYBNKRZKDD-VIFPVBQESA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCN(C)C(=O)CC2CC2)n1 ZINC001580745949 1165706959 /nfs/dbraw/zinc/70/69/59/1165706959.db2.gz QIOJUMVSZHISBK-UHFFFAOYSA-N -1 1 316.369 0.636 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCN(C)C(=O)CC2CC2)n1 ZINC001580745949 1165706963 /nfs/dbraw/zinc/70/69/63/1165706963.db2.gz QIOJUMVSZHISBK-UHFFFAOYSA-N -1 1 316.369 0.636 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2c[nH]c(C)cc2=O)nn1C ZINC001580768003 1165714276 /nfs/dbraw/zinc/71/42/76/1165714276.db2.gz HMIRDFUJGIXREQ-UHFFFAOYSA-N -1 1 314.309 0.158 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2c[nH]c(C)cc2=O)nn1C ZINC001580768003 1165714283 /nfs/dbraw/zinc/71/42/83/1165714283.db2.gz HMIRDFUJGIXREQ-UHFFFAOYSA-N -1 1 314.309 0.158 20 0 DCADMM Cc1cc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)nc(C)n1 ZINC001580931139 1165758553 /nfs/dbraw/zinc/75/85/53/1165758553.db2.gz UTERSZJQAOEYTN-UHFFFAOYSA-N -1 1 323.360 0.972 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc3n(n2)CCCC3)n1 ZINC001581754882 1165870548 /nfs/dbraw/zinc/87/05/48/1165870548.db2.gz RFOHNZSPOPYRCV-UHFFFAOYSA-N -1 1 313.325 0.385 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc3n(n2)CCCC3)n1 ZINC001581754882 1165870552 /nfs/dbraw/zinc/87/05/52/1165870552.db2.gz RFOHNZSPOPYRCV-UHFFFAOYSA-N -1 1 313.325 0.385 20 0 DCADMM Cn1ncc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1C(F)F ZINC001581830105 1165884126 /nfs/dbraw/zinc/88/41/26/1165884126.db2.gz DTRVZDHMAYCDJZ-UHFFFAOYSA-N -1 1 309.240 0.513 20 0 DCADMM Cn1ncc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1C(F)F ZINC001581830105 1165884132 /nfs/dbraw/zinc/88/41/32/1165884132.db2.gz DTRVZDHMAYCDJZ-UHFFFAOYSA-N -1 1 309.240 0.513 20 0 DCADMM NC(=O)CCC1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001581891286 1165907694 /nfs/dbraw/zinc/90/76/94/1165907694.db2.gz KDVTZCVQJXLVCY-UHFFFAOYSA-N -1 1 318.337 0.577 20 0 DCADMM NC(=O)CCC1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001581891286 1165907701 /nfs/dbraw/zinc/90/77/01/1165907701.db2.gz KDVTZCVQJXLVCY-UHFFFAOYSA-N -1 1 318.337 0.577 20 0 DCADMM Nc1nccc2c1CN(C(=O)c1cccc(-c3nn[n-]n3)n1)CC2 ZINC001581910209 1165912305 /nfs/dbraw/zinc/91/23/05/1165912305.db2.gz JSCRRFYNTIATIP-UHFFFAOYSA-N -1 1 322.332 0.437 20 0 DCADMM O=C(CCCF)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001582045218 1165944525 /nfs/dbraw/zinc/94/45/25/1165944525.db2.gz OOEBBEFOCDQZPX-VIFPVBQESA-N -1 1 320.332 0.101 20 0 DCADMM O=C(CCCF)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001582045218 1165944529 /nfs/dbraw/zinc/94/45/29/1165944529.db2.gz OOEBBEFOCDQZPX-VIFPVBQESA-N -1 1 320.332 0.101 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NN1C[C@@H]2CCC[C@@H]2C1 ZINC001582139639 1165967327 /nfs/dbraw/zinc/96/73/27/1165967327.db2.gz ZJLJVLDDIJWARQ-TXEJJXNPSA-N -1 1 313.365 0.567 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NN1C[C@@H]2CCC[C@@H]2C1 ZINC001582139639 1165967331 /nfs/dbraw/zinc/96/73/31/1165967331.db2.gz ZJLJVLDDIJWARQ-TXEJJXNPSA-N -1 1 313.365 0.567 20 0 DCADMM O=C(N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C1CC1 ZINC001582228511 1165986670 /nfs/dbraw/zinc/98/66/70/1165986670.db2.gz XOVMFPUUUNQXRZ-JTQLQIEISA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C1CC1 ZINC001582228511 1165986664 /nfs/dbraw/zinc/98/66/64/1165986664.db2.gz XOVMFPUUUNQXRZ-JTQLQIEISA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@H](CO)[C@H]1CCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582231366 1165986860 /nfs/dbraw/zinc/98/68/60/1165986860.db2.gz PXSQUKRHPLFCEG-GZMMTYOYSA-N -1 1 321.312 0.133 20 0 DCADMM O=C(N[C@H](CO)[C@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582231366 1165986865 /nfs/dbraw/zinc/98/68/65/1165986865.db2.gz PXSQUKRHPLFCEG-GZMMTYOYSA-N -1 1 321.312 0.133 20 0 DCADMM O=C(NC1(CO)CCSCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001582245178 1165991720 /nfs/dbraw/zinc/99/17/20/1165991720.db2.gz ZLVZHJDVZGABFI-UHFFFAOYSA-N -1 1 320.378 0.250 20 0 DCADMM O=C(NC1(CO)CCSCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001582245178 1165991724 /nfs/dbraw/zinc/99/17/24/1165991724.db2.gz ZLVZHJDVZGABFI-UHFFFAOYSA-N -1 1 320.378 0.250 20 0 DCADMM O=C(N[C@H]1CCC2(C1)OCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC001582276671 1165995708 /nfs/dbraw/zinc/99/57/08/1165995708.db2.gz JDEDLNVBHYKTRN-JTQLQIEISA-N -1 1 316.321 0.287 20 0 DCADMM O=C(N[C@H]1CCC2(C1)OCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC001582276671 1165995716 /nfs/dbraw/zinc/99/57/16/1165995716.db2.gz JDEDLNVBHYKTRN-JTQLQIEISA-N -1 1 316.321 0.287 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1C[C@H]2CCCC[C@H]21 ZINC001582529052 1166032277 /nfs/dbraw/zinc/03/22/77/1166032277.db2.gz ZKIDTIDJWDXQRR-NXEZZACHSA-N -1 1 317.357 0.042 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc(CO)nc1 ZINC001582549516 1166039830 /nfs/dbraw/zinc/03/98/30/1166039830.db2.gz CXLKVCPQQVCPOQ-UHFFFAOYSA-N -1 1 316.346 0.746 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1CC[C@H](O)C1 ZINC001582550446 1166039874 /nfs/dbraw/zinc/03/98/74/1166039874.db2.gz XPZVCMUCTDXNPL-BDAKNGLRSA-N -1 1 322.394 0.888 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H]1CC12CC(O)C2 ZINC001582548935 1166040177 /nfs/dbraw/zinc/04/01/77/1166040177.db2.gz KBLMNSQTSGINLB-JRIBOLAGSA-N -1 1 320.378 0.641 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCc2cncn2C1 ZINC001582554205 1166042314 /nfs/dbraw/zinc/04/23/14/1166042314.db2.gz AYNBCOGXPQMNBZ-LLVKDONJSA-N -1 1 324.348 0.337 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1COc2ccccc2O1 ZINC001582650102 1166060404 /nfs/dbraw/zinc/06/04/04/1166060404.db2.gz OGBVWFXBEKWXGT-SNVBAGLBSA-N -1 1 313.277 0.368 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H](c2ncon2)C1 ZINC001582701665 1166067898 /nfs/dbraw/zinc/06/78/98/1166067898.db2.gz URBSBYCBSHJUAL-QMMMGPOBSA-N -1 1 315.293 0.863 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H](c2ncon2)C1 ZINC001582701665 1166067907 /nfs/dbraw/zinc/06/79/07/1166067907.db2.gz URBSBYCBSHJUAL-QMMMGPOBSA-N -1 1 315.293 0.863 20 0 DCADMM O=C1NCCc2ccc(CNc3ncncc3-c3nn[n-]n3)cc21 ZINC001582788283 1166081602 /nfs/dbraw/zinc/08/16/02/1166081602.db2.gz FHVQBTHLTAPHMT-UHFFFAOYSA-N -1 1 322.332 0.555 20 0 DCADMM O=S(=O)(NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001582798241 1166083774 /nfs/dbraw/zinc/08/37/74/1166083774.db2.gz XQTQZPIXWYYRFC-UHFFFAOYSA-N -1 1 316.346 0.740 20 0 DCADMM O=S(=O)(NCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001582798241 1166083778 /nfs/dbraw/zinc/08/37/78/1166083778.db2.gz XQTQZPIXWYYRFC-UHFFFAOYSA-N -1 1 316.346 0.740 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1cnc2ccccc2n1 ZINC001582806348 1166086027 /nfs/dbraw/zinc/08/60/27/1166086027.db2.gz OIPRBPADPPXIIF-UHFFFAOYSA-N -1 1 306.289 0.415 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)Cc1ccccc1F ZINC001582809727 1166089895 /nfs/dbraw/zinc/08/98/95/1166089895.db2.gz NXSKPVWWWFIRNS-SNVBAGLBSA-N -1 1 315.312 0.233 20 0 DCADMM OC[C@H](Cc1ccc(F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001582810785 1166091095 /nfs/dbraw/zinc/09/10/95/1166091095.db2.gz SMVCCZZNCKEENM-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@H](Cc1ccc(F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001582810785 1166091101 /nfs/dbraw/zinc/09/11/01/1166091101.db2.gz SMVCCZZNCKEENM-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H]1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001582814625 1166093108 /nfs/dbraw/zinc/09/31/08/1166093108.db2.gz OMUXSAXXRGPIBA-PBXRRBTRSA-N -1 1 316.774 0.663 20 0 DCADMM O[C@@H]1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001582814625 1166093110 /nfs/dbraw/zinc/09/31/10/1166093110.db2.gz OMUXSAXXRGPIBA-PBXRRBTRSA-N -1 1 316.774 0.663 20 0 DCADMM OC[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1CO ZINC001582813792 1166094635 /nfs/dbraw/zinc/09/46/35/1166094635.db2.gz DLSUDHWMVZTZRR-WDSKDSINSA-N -1 1 316.774 0.014 20 0 DCADMM OC[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1CO ZINC001582813792 1166094647 /nfs/dbraw/zinc/09/46/47/1166094647.db2.gz DLSUDHWMVZTZRR-WDSKDSINSA-N -1 1 316.774 0.014 20 0 DCADMM c1cc(NCCc2ccc3c(c2)OCO3)nc(-c2nn[n-]n2)n1 ZINC001582817262 1166096548 /nfs/dbraw/zinc/09/65/48/1166096548.db2.gz BKVRFKCVNRICDF-UHFFFAOYSA-N -1 1 311.305 0.462 20 0 DCADMM c1nc(-c2nn[n-]n2)ncc1OC[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001582820424 1166099120 /nfs/dbraw/zinc/09/91/20/1166099120.db2.gz DAUDVODIHJLPRY-HZMBPMFUSA-N -1 1 318.337 0.764 20 0 DCADMM O=C(NCc1nn[n-]n1)c1ccn2cc(C(F)(F)F)nc2c1 ZINC001584968052 1166391857 /nfs/dbraw/zinc/39/18/57/1166391857.db2.gz OULPZZVMZZTXCO-UHFFFAOYSA-N -1 1 311.227 0.796 20 0 DCADMM CCOC(=O)C(C)(C)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001586100121 1166478092 /nfs/dbraw/zinc/47/80/92/1166478092.db2.gz LWKLBMZYSXHCES-NSHDSACASA-N -1 1 317.349 0.995 20 0 DCADMM C/C=C(/C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncccc2[O-])C1 ZINC001586268818 1166491209 /nfs/dbraw/zinc/49/12/09/1166491209.db2.gz BNZFXBSONYQYLX-ZRHBHEHHSA-N -1 1 319.361 0.447 20 0 DCADMM Cc1nonc1CC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001586308724 1166494286 /nfs/dbraw/zinc/49/42/86/1166494286.db2.gz MDQQGIUXWRKQHT-UHFFFAOYSA-N -1 1 315.293 0.651 20 0 DCADMM CC(=O)C[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001588787617 1166590930 /nfs/dbraw/zinc/59/09/30/1166590930.db2.gz WMSPIDVBVGTTEN-SECBINFHSA-N -1 1 321.362 0.748 20 0 DCADMM CC(=O)C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001588787617 1166590933 /nfs/dbraw/zinc/59/09/33/1166590933.db2.gz WMSPIDVBVGTTEN-SECBINFHSA-N -1 1 321.362 0.748 20 0 DCADMM CC(=O)N1CCC(CNc2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001588810823 1166593947 /nfs/dbraw/zinc/59/39/47/1166593947.db2.gz MWOQMMHDBOZMFC-UHFFFAOYSA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)N1CCC(CNc2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001588810823 1166593951 /nfs/dbraw/zinc/59/39/51/1166593951.db2.gz MWOQMMHDBOZMFC-UHFFFAOYSA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588815865 1166597636 /nfs/dbraw/zinc/59/76/36/1166597636.db2.gz GQVXJIAHEZMTJL-CABZTGNLSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588815865 1166597639 /nfs/dbraw/zinc/59/76/39/1166597639.db2.gz GQVXJIAHEZMTJL-CABZTGNLSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CC[C@@H](OC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001588826235 1166599531 /nfs/dbraw/zinc/59/95/31/1166599531.db2.gz RQBPICMZOUFLQT-SECBINFHSA-N -1 1 305.294 0.546 20 0 DCADMM CC(=O)N1CC[C@@H](OC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001588826235 1166599538 /nfs/dbraw/zinc/59/95/38/1166599538.db2.gz RQBPICMZOUFLQT-SECBINFHSA-N -1 1 305.294 0.546 20 0 DCADMM CC(=O)N1CCC[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001588821922 1166599736 /nfs/dbraw/zinc/59/97/36/1166599736.db2.gz LHXWMQHNBOCXMI-SNVBAGLBSA-N -1 1 305.294 0.514 20 0 DCADMM CC(=O)N1CCC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001588821922 1166599740 /nfs/dbraw/zinc/59/97/40/1166599740.db2.gz LHXWMQHNBOCXMI-SNVBAGLBSA-N -1 1 305.294 0.514 20 0 DCADMM CC(=O)N[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)C(C)C ZINC001588828579 1166600378 /nfs/dbraw/zinc/60/03/78/1166600378.db2.gz QGGQUMWFQOEIIP-LLVKDONJSA-N -1 1 307.310 0.664 20 0 DCADMM CC(=O)N[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)C(C)C ZINC001588828579 1166600380 /nfs/dbraw/zinc/60/03/80/1166600380.db2.gz QGGQUMWFQOEIIP-LLVKDONJSA-N -1 1 307.310 0.664 20 0 DCADMM CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001588824522 1166600953 /nfs/dbraw/zinc/60/09/53/1166600953.db2.gz PNMJCCNZMDWRNS-UHFFFAOYSA-N -1 1 303.326 0.401 20 0 DCADMM CC(=O)NC1CCC(NC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001588840071 1166606171 /nfs/dbraw/zinc/60/61/71/1166606171.db2.gz LOXLZHQYZIPYKE-UHFFFAOYSA-N -1 1 318.337 0.637 20 0 DCADMM CC(=O)NC1CCC(NC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001588840071 1166606175 /nfs/dbraw/zinc/60/61/75/1166606175.db2.gz LOXLZHQYZIPYKE-UHFFFAOYSA-N -1 1 318.337 0.637 20 0 DCADMM CC(=O)NCC1CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001588855723 1166609329 /nfs/dbraw/zinc/60/93/29/1166609329.db2.gz YCCMLTFIZBJUAX-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CC(=O)OC1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588887095 1166612975 /nfs/dbraw/zinc/61/29/75/1166612975.db2.gz QXDVQRUJLNMSKO-UHFFFAOYSA-N -1 1 316.321 0.429 20 0 DCADMM CC(=O)OC1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588887095 1166612980 /nfs/dbraw/zinc/61/29/80/1166612980.db2.gz QXDVQRUJLNMSKO-UHFFFAOYSA-N -1 1 316.321 0.429 20 0 DCADMM C[C@H](C(=O)N(C)[C@H](C)C(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588936837 1166618648 /nfs/dbraw/zinc/61/86/48/1166618648.db2.gz MGXQWNYIDCOVAD-RKDXNWHRSA-N -1 1 306.374 0.912 20 0 DCADMM C[C@@H](C(=O)N1CCC=C(Cl)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951013 1166622227 /nfs/dbraw/zinc/62/22/27/1166622227.db2.gz BQLAWCRXEVQEAG-ZETCQYMHSA-N -1 1 308.733 0.374 20 0 DCADMM C[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001589011864 1166626554 /nfs/dbraw/zinc/62/65/54/1166626554.db2.gz PFCWTMICVZMXIK-ZCFIWIBFSA-N -1 1 307.314 0.506 20 0 DCADMM C[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001589011864 1166626558 /nfs/dbraw/zinc/62/65/58/1166626558.db2.gz PFCWTMICVZMXIK-ZCFIWIBFSA-N -1 1 307.314 0.506 20 0 DCADMM C[C@H](C(=O)NCC[C@@H]1CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588985028 1166626687 /nfs/dbraw/zinc/62/66/87/1166626687.db2.gz HDRFAMYIEIUGCO-RNFRBKRXSA-N -1 1 312.284 0.181 20 0 DCADMM C[C@@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)c1cnn(C)c1 ZINC001588999942 1166627159 /nfs/dbraw/zinc/62/71/59/1166627159.db2.gz RJTLKYHXPYKWPE-SSDOTTSWSA-N -1 1 318.366 0.477 20 0 DCADMM C[C@@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)c1cnn(C)c1 ZINC001588999942 1166627163 /nfs/dbraw/zinc/62/71/63/1166627163.db2.gz RJTLKYHXPYKWPE-SSDOTTSWSA-N -1 1 318.366 0.477 20 0 DCADMM CC(C)(C)C[C@@H](O)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589118971 1166636065 /nfs/dbraw/zinc/63/60/65/1166636065.db2.gz LAFWCRUDJYIYOL-SECBINFHSA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(C)C[C@@H](O)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589118971 1166636072 /nfs/dbraw/zinc/63/60/72/1166636072.db2.gz LAFWCRUDJYIYOL-SECBINFHSA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(C)OC(=O)C1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001589148379 1166637577 /nfs/dbraw/zinc/63/75/77/1166637577.db2.gz GHLNYNQLDFONSV-UHFFFAOYSA-N -1 1 319.321 0.873 20 0 DCADMM CC(C)(C)OC(=O)C1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001589148379 1166637582 /nfs/dbraw/zinc/63/75/82/1166637582.db2.gz GHLNYNQLDFONSV-UHFFFAOYSA-N -1 1 319.321 0.873 20 0 DCADMM CC(C)(CC(=O)Cn1cncc(-c2nn[n-]n2)c1=O)C1CC1 ZINC001589267000 1166642614 /nfs/dbraw/zinc/64/26/14/1166642614.db2.gz FPNMWSNWPXNYPE-UHFFFAOYSA-N -1 1 302.338 0.819 20 0 DCADMM CC(C)(CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)OCCO ZINC001589288254 1166645281 /nfs/dbraw/zinc/64/52/81/1166645281.db2.gz KZHVHJYUUMEAJS-UHFFFAOYSA-N -1 1 319.369 0.734 20 0 DCADMM CC(C)(CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)OCCO ZINC001589288254 1166645287 /nfs/dbraw/zinc/64/52/87/1166645287.db2.gz KZHVHJYUUMEAJS-UHFFFAOYSA-N -1 1 319.369 0.734 20 0 DCADMM CC(C)(NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C(N)=O ZINC001589319501 1166646550 /nfs/dbraw/zinc/64/65/50/1166646550.db2.gz OSCYMPJZFIWNRN-UHFFFAOYSA-N -1 1 310.264 0.139 20 0 DCADMM CC(C)(NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C(N)=O ZINC001589319501 1166646554 /nfs/dbraw/zinc/64/65/54/1166646554.db2.gz OSCYMPJZFIWNRN-UHFFFAOYSA-N -1 1 310.264 0.139 20 0 DCADMM CC(C)(O)CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589339296 1166650673 /nfs/dbraw/zinc/65/06/73/1166650673.db2.gz PGMBEDKHQXMRSZ-UHFFFAOYSA-N -1 1 302.338 0.637 20 0 DCADMM CC(C)(O)CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589339296 1166650677 /nfs/dbraw/zinc/65/06/77/1166650677.db2.gz PGMBEDKHQXMRSZ-UHFFFAOYSA-N -1 1 302.338 0.637 20 0 DCADMM CC(C)(O)[C@@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589328392 1166650705 /nfs/dbraw/zinc/65/07/05/1166650705.db2.gz VMTFWPMJEMENMK-NSHDSACASA-N -1 1 302.338 0.637 20 0 DCADMM CC(C)(O)[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589328392 1166650708 /nfs/dbraw/zinc/65/07/08/1166650708.db2.gz VMTFWPMJEMENMK-NSHDSACASA-N -1 1 302.338 0.637 20 0 DCADMM CC(C)=CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589361939 1166652800 /nfs/dbraw/zinc/65/28/00/1166652800.db2.gz GFJNIFIDADMJSV-SNVBAGLBSA-N -1 1 314.353 0.058 20 0 DCADMM CC(C)C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589411218 1166656605 /nfs/dbraw/zinc/65/66/05/1166656605.db2.gz JEPWZDIOSGLELS-MGCOHNPYSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589411218 1166656613 /nfs/dbraw/zinc/65/66/13/1166656613.db2.gz JEPWZDIOSGLELS-MGCOHNPYSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H](CO)C(C)C ZINC001589459734 1166659052 /nfs/dbraw/zinc/65/90/52/1166659052.db2.gz JHJGFEYVQXFNKO-CMPLNLGQSA-N -1 1 305.386 0.780 20 0 DCADMM CC(C)[C@@H](O)Cc1cn(Cc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001589480523 1166661026 /nfs/dbraw/zinc/66/10/26/1166661026.db2.gz OEHKJSTZIWVFNF-ZDUSSCGKSA-N -1 1 314.353 0.461 20 0 DCADMM CC(C)[C@@H](O)Cc1cn(Cc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001589480523 1166661027 /nfs/dbraw/zinc/66/10/27/1166661027.db2.gz OEHKJSTZIWVFNF-ZDUSSCGKSA-N -1 1 314.353 0.461 20 0 DCADMM CC(C)[C@]1(C)C[C@H]1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589492011 1166663492 /nfs/dbraw/zinc/66/34/92/1166663492.db2.gz ZQJWRSMDLTYFSU-RNCFNFMXSA-N -1 1 319.373 0.192 20 0 DCADMM CC(C)CC(=O)NCCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589533784 1166665334 /nfs/dbraw/zinc/66/53/34/1166665334.db2.gz CILHUJREBGHSLA-UHFFFAOYSA-N -1 1 306.330 0.081 20 0 DCADMM CC(C)CC(=O)NCCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589533784 1166665337 /nfs/dbraw/zinc/66/53/37/1166665337.db2.gz CILHUJREBGHSLA-UHFFFAOYSA-N -1 1 306.330 0.081 20 0 DCADMM CC(C)[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001589516506 1166665619 /nfs/dbraw/zinc/66/56/19/1166665619.db2.gz DDFAROSSSRTJIY-GFCCVEGCSA-N -1 1 302.338 0.759 20 0 DCADMM CC(C)[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001589516506 1166665621 /nfs/dbraw/zinc/66/56/21/1166665621.db2.gz DDFAROSSSRTJIY-GFCCVEGCSA-N -1 1 302.338 0.759 20 0 DCADMM CC(C)CN(C(=O)NCCn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC001589612756 1166667800 /nfs/dbraw/zinc/66/78/00/1166667800.db2.gz CKUIPQXYKSFSBS-UHFFFAOYSA-N -1 1 319.373 0.288 20 0 DCADMM CC(C)Cn1nccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589671543 1166672311 /nfs/dbraw/zinc/67/23/11/1166672311.db2.gz NDWKLJGWUIPRLR-UHFFFAOYSA-N -1 1 301.314 0.695 20 0 DCADMM CC(C)Cn1nccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589671543 1166672314 /nfs/dbraw/zinc/67/23/14/1166672314.db2.gz NDWKLJGWUIPRLR-UHFFFAOYSA-N -1 1 301.314 0.695 20 0 DCADMM CC(C)N(CCOCCO)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589692584 1166673907 /nfs/dbraw/zinc/67/39/07/1166673907.db2.gz RQNRRNFQCWNIPD-UHFFFAOYSA-N -1 1 320.353 0.121 20 0 DCADMM CC(C)N(CCOCCO)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589692584 1166673912 /nfs/dbraw/zinc/67/39/12/1166673912.db2.gz RQNRRNFQCWNIPD-UHFFFAOYSA-N -1 1 320.353 0.121 20 0 DCADMM CC(C)OC[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001589746012 1166680395 /nfs/dbraw/zinc/68/03/95/1166680395.db2.gz GRHMMTBGHHTQTR-GFCCVEGCSA-N -1 1 304.354 0.892 20 0 DCADMM CC(C)OC[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001589746012 1166680400 /nfs/dbraw/zinc/68/04/00/1166680400.db2.gz GRHMMTBGHHTQTR-GFCCVEGCSA-N -1 1 304.354 0.892 20 0 DCADMM CC(C)OC(=O)[C@H](C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589736180 1166681419 /nfs/dbraw/zinc/68/14/19/1166681419.db2.gz QYJRVVRVWMIWNT-ZETCQYMHSA-N -1 1 309.351 0.998 20 0 DCADMM CC(C)SCCNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589761533 1166684020 /nfs/dbraw/zinc/68/40/20/1166684020.db2.gz WGCKWICPDZPTNJ-QMMMGPOBSA-N -1 1 310.387 0.277 20 0 DCADMM CC(C)[C@@H]1C[C@H]1CNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001589763462 1166684358 /nfs/dbraw/zinc/68/43/58/1166684358.db2.gz OJINKMXOWCRZAE-UWVGGRQHSA-N -1 1 322.394 0.832 20 0 DCADMM CC(C)[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC001589765678 1166685919 /nfs/dbraw/zinc/68/59/19/1166685919.db2.gz LHLPFIUMOYOQTP-JTQLQIEISA-N -1 1 319.369 0.857 20 0 DCADMM CC(C)c1nnc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)s1 ZINC001589778272 1166686199 /nfs/dbraw/zinc/68/61/99/1166686199.db2.gz BOZUOCCNCRMXOT-UHFFFAOYSA-N -1 1 320.338 0.152 20 0 DCADMM C[C@H](CCCO)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589820762 1166693057 /nfs/dbraw/zinc/69/30/57/1166693057.db2.gz MCMFAPZDXKVGKQ-SNVBAGLBSA-N -1 1 304.354 0.329 20 0 DCADMM C[C@H](CCCO)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589820762 1166693064 /nfs/dbraw/zinc/69/30/64/1166693064.db2.gz MCMFAPZDXKVGKQ-SNVBAGLBSA-N -1 1 304.354 0.329 20 0 DCADMM C[C@H](CN1CCOCC1)OC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589847696 1166698247 /nfs/dbraw/zinc/69/82/47/1166698247.db2.gz KISGDWHUDRVJFN-SECBINFHSA-N -1 1 323.378 0.806 20 0 DCADMM C[C@H](CN1CCOCC1)OC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589847696 1166698248 /nfs/dbraw/zinc/69/82/48/1166698248.db2.gz KISGDWHUDRVJFN-SECBINFHSA-N -1 1 323.378 0.806 20 0 DCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(=O)N1CCCC[C@H]1C ZINC001589986515 1166738519 /nfs/dbraw/zinc/73/85/19/1166738519.db2.gz KEMHMEGECXWECW-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(=O)N1CCCC[C@H]1C ZINC001589986515 1166738525 /nfs/dbraw/zinc/73/85/25/1166738525.db2.gz KEMHMEGECXWECW-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C ZINC001590014020 1166753197 /nfs/dbraw/zinc/75/31/97/1166753197.db2.gz JDOCNHIOHKJPDN-QMMMGPOBSA-N -1 1 318.337 0.722 20 0 DCADMM C[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C ZINC001590014020 1166753201 /nfs/dbraw/zinc/75/32/01/1166753201.db2.gz JDOCNHIOHKJPDN-QMMMGPOBSA-N -1 1 318.337 0.722 20 0 DCADMM C[C@@H](Oc1cccnc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590034247 1166758664 /nfs/dbraw/zinc/75/86/64/1166758664.db2.gz HTTMAFFSLJDEFB-SSDOTTSWSA-N -1 1 300.282 0.391 20 0 DCADMM C[C@@H](Oc1cccnc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590034247 1166758665 /nfs/dbraw/zinc/75/86/65/1166758665.db2.gz HTTMAFFSLJDEFB-SSDOTTSWSA-N -1 1 300.282 0.391 20 0 DCADMM CC1(C(=O)NCC=CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590067111 1166762922 /nfs/dbraw/zinc/76/29/22/1166762922.db2.gz WCBMPVZIWGNMQY-IHWYPQMZSA-N -1 1 314.353 0.541 20 0 DCADMM CC1(C(=O)NCC=CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590067111 1166762930 /nfs/dbraw/zinc/76/29/30/1166762930.db2.gz WCBMPVZIWGNMQY-IHWYPQMZSA-N -1 1 314.353 0.541 20 0 DCADMM C[C@]1(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C[C@H]2C[C@H]2C1 ZINC001590070166 1166762985 /nfs/dbraw/zinc/76/29/85/1166762985.db2.gz QXUQHYNLNQPYDV-WOFXILAISA-N -1 1 302.342 0.011 20 0 DCADMM CC1(C)C(C(=O)Cn2cnc(-c3nn[n-]n3)cc2=O)C1(C)C ZINC001590073613 1166766089 /nfs/dbraw/zinc/76/60/89/1166766089.db2.gz QSRNYGUQTCTFQH-UHFFFAOYSA-N -1 1 302.338 0.675 20 0 DCADMM CC1(C)C[C@](C)(NC(=O)c2cccc(-c3nnn[n-]3)n2)C(=O)O1 ZINC001590080490 1166769577 /nfs/dbraw/zinc/76/95/77/1166769577.db2.gz PRLQKWKCGLDWSF-AWEZNQCLSA-N -1 1 316.321 0.476 20 0 DCADMM CC1(C)C[C@](C)(NC(=O)c2cccc(-c3nn[n-]n3)n2)C(=O)O1 ZINC001590080490 1166769583 /nfs/dbraw/zinc/76/95/83/1166769583.db2.gz PRLQKWKCGLDWSF-AWEZNQCLSA-N -1 1 316.321 0.476 20 0 DCADMM CC1(C)CCCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590096907 1166770929 /nfs/dbraw/zinc/77/09/29/1166770929.db2.gz NSCZPRAJZGLDPX-UHFFFAOYSA-N -1 1 319.373 0.290 20 0 DCADMM CC1(C)CC[C@H](CNC(=O)c2ccnc(-c3nnn[n-]3)c2)O1 ZINC001590090567 1166771998 /nfs/dbraw/zinc/77/19/98/1166771998.db2.gz LDAQLLQNIDSJSP-SNVBAGLBSA-N -1 1 302.338 0.949 20 0 DCADMM CC1(C)CC[C@H](CNC(=O)c2ccnc(-c3nn[n-]n3)c2)O1 ZINC001590090567 1166772003 /nfs/dbraw/zinc/77/20/03/1166772003.db2.gz LDAQLLQNIDSJSP-SNVBAGLBSA-N -1 1 302.338 0.949 20 0 DCADMM CC1(C)CN(Cc2cnc3c(-c4nnn[n-]4)cnn3c2)CCO1 ZINC001590107101 1166776957 /nfs/dbraw/zinc/77/69/57/1166776957.db2.gz RNBUJBHKGNJMMU-UHFFFAOYSA-N -1 1 314.353 0.520 20 0 DCADMM CC1(C)CN(Cc2cnc3c(-c4nn[n-]n4)cnn3c2)CCO1 ZINC001590107101 1166776960 /nfs/dbraw/zinc/77/69/60/1166776960.db2.gz RNBUJBHKGNJMMU-UHFFFAOYSA-N -1 1 314.353 0.520 20 0 DCADMM C[C@@]1(COC(=O)c2coc(-c3nnn[n-]3)c2)CCC(=O)NC1 ZINC001590140845 1166786568 /nfs/dbraw/zinc/78/65/68/1166786568.db2.gz XUAZRULFGXBBDS-CYBMUJFWSA-N -1 1 305.294 0.533 20 0 DCADMM C[C@@]1(COC(=O)c2coc(-c3nn[n-]n3)c2)CCC(=O)NC1 ZINC001590140845 1166786577 /nfs/dbraw/zinc/78/65/77/1166786577.db2.gz XUAZRULFGXBBDS-CYBMUJFWSA-N -1 1 305.294 0.533 20 0 DCADMM C[C@]1(O)CCN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001590150463 1166790657 /nfs/dbraw/zinc/79/06/57/1166790657.db2.gz QKYQTFXLHBEUDS-HNNXBMFYSA-N -1 1 312.333 0.945 20 0 DCADMM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590166698 1166796522 /nfs/dbraw/zinc/79/65/22/1166796522.db2.gz GLZQGFSROFLFSV-NXEZZACHSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590166698 1166796528 /nfs/dbraw/zinc/79/65/28/1166796528.db2.gz GLZQGFSROFLFSV-NXEZZACHSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590186188 1166802766 /nfs/dbraw/zinc/80/27/66/1166802766.db2.gz ADCZQAPYEMLBHK-RCWTZXSCSA-N -1 1 318.385 0.912 20 0 DCADMM C[C@@H]1C[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001590183299 1166804731 /nfs/dbraw/zinc/80/47/31/1166804731.db2.gz HTQVZQPAGZBNJT-SFYZADRCSA-N -1 1 308.367 0.755 20 0 DCADMM C[C@@H]1C[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001590183299 1166804734 /nfs/dbraw/zinc/80/47/34/1166804734.db2.gz HTQVZQPAGZBNJT-SFYZADRCSA-N -1 1 308.367 0.755 20 0 DCADMM C[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CCS1(=O)=O ZINC001590208177 1166814982 /nfs/dbraw/zinc/81/49/82/1166814982.db2.gz WBWRRYXLDRJZCJ-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CCS1(=O)=O ZINC001590208177 1166814994 /nfs/dbraw/zinc/81/49/94/1166814994.db2.gz WBWRRYXLDRJZCJ-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590214821 1166816145 /nfs/dbraw/zinc/81/61/45/1166816145.db2.gz DEXLCROILVEIEC-QEYWKRMJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590214821 1166816154 /nfs/dbraw/zinc/81/61/54/1166816154.db2.gz DEXLCROILVEIEC-QEYWKRMJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001590218475 1166818777 /nfs/dbraw/zinc/81/87/77/1166818777.db2.gz GTCZXTXDKROLCJ-KHQFGBGNSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001590218475 1166818778 /nfs/dbraw/zinc/81/87/78/1166818778.db2.gz GTCZXTXDKROLCJ-KHQFGBGNSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@H]1CC[C@H](CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590232303 1166821498 /nfs/dbraw/zinc/82/14/98/1166821498.db2.gz VXLWPOCQBOIJCO-UWVGGRQHSA-N -1 1 322.394 0.976 20 0 DCADMM C[C@@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CS1(=O)=O ZINC001590241384 1166823704 /nfs/dbraw/zinc/82/37/04/1166823704.db2.gz WERWMENLJXRUII-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CS1(=O)=O ZINC001590241384 1166823718 /nfs/dbraw/zinc/82/37/18/1166823718.db2.gz WERWMENLJXRUII-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CC[C@H](Nc2ncncc2-c2nn[n-]n2)CS1(=O)=O ZINC001590240739 1166824138 /nfs/dbraw/zinc/82/41/38/1166824138.db2.gz UGIWZGNPPOCVCQ-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590238238 1166825287 /nfs/dbraw/zinc/82/52/87/1166825287.db2.gz CZLIEAYTYFLKGT-YUMQZZPRSA-N -1 1 301.310 0.115 20 0 DCADMM C[C@H]1CC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590238238 1166825291 /nfs/dbraw/zinc/82/52/91/1166825291.db2.gz CZLIEAYTYFLKGT-YUMQZZPRSA-N -1 1 301.310 0.115 20 0 DCADMM C[C@H]1CCC[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)O1 ZINC001590244269 1166827728 /nfs/dbraw/zinc/82/77/28/1166827728.db2.gz RZNRAXFKCHHNEG-VHSXEESVSA-N -1 1 302.338 0.949 20 0 DCADMM C[C@H]1CCC[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)O1 ZINC001590244269 1166827730 /nfs/dbraw/zinc/82/77/30/1166827730.db2.gz RZNRAXFKCHHNEG-VHSXEESVSA-N -1 1 302.338 0.949 20 0 DCADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@H]1CO ZINC001590270535 1166831524 /nfs/dbraw/zinc/83/15/24/1166831524.db2.gz YUMUBROLFNHVLE-ZJUUUORDSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@H]1CO ZINC001590270535 1166831527 /nfs/dbraw/zinc/83/15/27/1166831527.db2.gz YUMUBROLFNHVLE-ZJUUUORDSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CCNC(=O)[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590277404 1166837354 /nfs/dbraw/zinc/83/73/54/1166837354.db2.gz ILQLDTHVSVEPFY-XPUUQOCRSA-N -1 1 306.351 0.183 20 0 DCADMM C[C@H]1CCNC(=O)[C@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590277404 1166837357 /nfs/dbraw/zinc/83/73/57/1166837357.db2.gz ILQLDTHVSVEPFY-XPUUQOCRSA-N -1 1 306.351 0.183 20 0 DCADMM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590277403 1166837970 /nfs/dbraw/zinc/83/79/70/1166837970.db2.gz ILQLDTHVSVEPFY-SVRRBLITSA-N -1 1 306.351 0.183 20 0 DCADMM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590277403 1166837972 /nfs/dbraw/zinc/83/79/72/1166837972.db2.gz ILQLDTHVSVEPFY-SVRRBLITSA-N -1 1 306.351 0.183 20 0 DCADMM C[C@H]1CCNC(=O)[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590278627 1166839461 /nfs/dbraw/zinc/83/94/61/1166839461.db2.gz UBANCNVQFGIYSP-RCOVLWMOSA-N -1 1 307.745 0.852 20 0 DCADMM C[C@H]1CCNC(=O)[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590278627 1166839468 /nfs/dbraw/zinc/83/94/68/1166839468.db2.gz UBANCNVQFGIYSP-RCOVLWMOSA-N -1 1 307.745 0.852 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](C)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590286210 1166841382 /nfs/dbraw/zinc/84/13/82/1166841382.db2.gz ZGECAQXSWAQJOM-KATARQTJSA-N -1 1 304.358 0.522 20 0 DCADMM C[C@@H]1CN(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](C)CO1 ZINC001590305870 1166850383 /nfs/dbraw/zinc/85/03/83/1166850383.db2.gz YXTOLCCZQTWJTJ-VHSXEESVSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@@H]1CN(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](C)CO1 ZINC001590305870 1166850385 /nfs/dbraw/zinc/85/03/85/1166850385.db2.gz YXTOLCCZQTWJTJ-VHSXEESVSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@H]1CN(Cc2cccc(-c3nnn[n-]3)n2)C[C@H](C)S1=O ZINC001590309991 1166854971 /nfs/dbraw/zinc/85/49/71/1166854971.db2.gz RRFCCBWGKXSSFY-UWVGGRQHSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)C[C@H](C)S1=O ZINC001590309991 1166854974 /nfs/dbraw/zinc/85/49/74/1166854974.db2.gz RRFCCBWGKXSSFY-UWVGGRQHSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H](CO)O1 ZINC001590316426 1166860588 /nfs/dbraw/zinc/86/05/88/1166860588.db2.gz MIQNXIXVGJGUAL-PHDIDXHHSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H](CO)O1 ZINC001590316426 1166860594 /nfs/dbraw/zinc/86/05/94/1166860594.db2.gz MIQNXIXVGJGUAL-PHDIDXHHSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@H]1OCC[C@@]12CN(C(=O)c1ccc(-c3nnn[n-]3)o1)CCO2 ZINC001590333712 1166870942 /nfs/dbraw/zinc/87/09/42/1166870942.db2.gz JKGLGACGAKIYQE-YMTOWFKASA-N -1 1 319.321 0.480 20 0 DCADMM C[C@H]1OCC[C@@]12CN(C(=O)c1ccc(-c3nn[n-]n3)o1)CCO2 ZINC001590333712 1166870952 /nfs/dbraw/zinc/87/09/52/1166870952.db2.gz JKGLGACGAKIYQE-YMTOWFKASA-N -1 1 319.321 0.480 20 0 DCADMM C[C@@H]1OCC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001590340343 1166875843 /nfs/dbraw/zinc/87/58/43/1166875843.db2.gz YTZAIULMZSXSEN-XPUUQOCRSA-N -1 1 303.326 0.831 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001590350423 1166879949 /nfs/dbraw/zinc/87/99/49/1166879949.db2.gz QUNUUXZFHRTVRV-OTOXVQDCSA-N -1 1 302.342 0.540 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001590350423 1166879952 /nfs/dbraw/zinc/87/99/52/1166879952.db2.gz QUNUUXZFHRTVRV-OTOXVQDCSA-N -1 1 302.342 0.540 20 0 DCADMM C/C=C(\C)C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590357021 1166882335 /nfs/dbraw/zinc/88/23/35/1166882335.db2.gz XFXHAONVEVDICD-WXLQGSQKSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(\C)C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590357021 1166882339 /nfs/dbraw/zinc/88/23/39/1166882339.db2.gz XFXHAONVEVDICD-WXLQGSQKSA-N -1 1 316.369 0.930 20 0 DCADMM CCC(C)(C)[C@@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590373335 1166892888 /nfs/dbraw/zinc/89/28/88/1166892888.db2.gz NOZYUDLVESLCLU-MRVPVSSYSA-N -1 1 321.385 0.501 20 0 DCADMM CC[C@@](C)(O)Cc1cn(Cc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001590383273 1166893550 /nfs/dbraw/zinc/89/35/50/1166893550.db2.gz BCFKKZKYSCJXHP-GFCCVEGCSA-N -1 1 320.382 0.667 20 0 DCADMM CC[C@@](C)(O)Cc1cn(Cc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001590383273 1166893555 /nfs/dbraw/zinc/89/35/55/1166893555.db2.gz BCFKKZKYSCJXHP-GFCCVEGCSA-N -1 1 320.382 0.667 20 0 DCADMM CC[C@@](C)(CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)OC ZINC001590380595 1166894497 /nfs/dbraw/zinc/89/44/97/1166894497.db2.gz CTDXMJYWQRMAGM-ZDUSSCGKSA-N -1 1 308.342 0.637 20 0 DCADMM CC[C@@](C)(CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)OC ZINC001590380595 1166894504 /nfs/dbraw/zinc/89/45/04/1166894504.db2.gz CTDXMJYWQRMAGM-ZDUSSCGKSA-N -1 1 308.342 0.637 20 0 DCADMM CC[C@H](C)[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590399001 1166896346 /nfs/dbraw/zinc/89/63/46/1166896346.db2.gz GYQGAVOGVSTCEF-YUMQZZPRSA-N -1 1 307.358 0.111 20 0 DCADMM CC[C@@H](C)C(=O)NCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590393910 1166897466 /nfs/dbraw/zinc/89/74/66/1166897466.db2.gz MYMDPOAUXGYKCT-MRVPVSSYSA-N -1 1 304.358 0.539 20 0 DCADMM CC[C@@H](C)C(=O)NCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590393910 1166897471 /nfs/dbraw/zinc/89/74/71/1166897471.db2.gz MYMDPOAUXGYKCT-MRVPVSSYSA-N -1 1 304.358 0.539 20 0 DCADMM CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590412412 1166900347 /nfs/dbraw/zinc/90/03/47/1166900347.db2.gz OSGLHLXKYYIKKW-SECBINFHSA-N -1 1 318.337 0.675 20 0 DCADMM CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590412412 1166900356 /nfs/dbraw/zinc/90/03/56/1166900356.db2.gz OSGLHLXKYYIKKW-SECBINFHSA-N -1 1 318.337 0.675 20 0 DCADMM CCC(CC)(CO)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590428419 1166903513 /nfs/dbraw/zinc/90/35/13/1166903513.db2.gz BEVFWJMWSDVRJO-UHFFFAOYSA-N -1 1 305.342 0.934 20 0 DCADMM CCC(CC)(CO)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590428419 1166903517 /nfs/dbraw/zinc/90/35/17/1166903517.db2.gz BEVFWJMWSDVRJO-UHFFFAOYSA-N -1 1 305.342 0.934 20 0 DCADMM CC[C@@H](C)c1nnc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)[nH]1 ZINC001590416911 1166903588 /nfs/dbraw/zinc/90/35/88/1166903588.db2.gz GERKVAHBXKQOFX-HTQZYQBOSA-N -1 1 314.357 0.883 20 0 DCADMM CC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H](C)S1(=O)=O ZINC001590521521 1166933881 /nfs/dbraw/zinc/93/38/81/1166933881.db2.gz AQEGQEBNTAFFAT-RKDXNWHRSA-N -1 1 323.382 0.059 20 0 DCADMM CC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H](C)S1(=O)=O ZINC001590521521 1166933887 /nfs/dbraw/zinc/93/38/87/1166933887.db2.gz AQEGQEBNTAFFAT-RKDXNWHRSA-N -1 1 323.382 0.059 20 0 DCADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590522469 1166934063 /nfs/dbraw/zinc/93/40/63/1166934063.db2.gz GDPZNCZCZABYQX-CMPLNLGQSA-N -1 1 316.365 0.830 20 0 DCADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590522469 1166934069 /nfs/dbraw/zinc/93/40/69/1166934069.db2.gz GDPZNCZCZABYQX-CMPLNLGQSA-N -1 1 316.365 0.830 20 0 DCADMM CCCC(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590536843 1166938846 /nfs/dbraw/zinc/93/88/46/1166938846.db2.gz 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COc1ncc(NC(=O)c2coc(CO)c2)cc1-c1nn[n-]n1 ZINC001591667838 1167345265 /nfs/dbraw/zinc/34/52/65/1167345265.db2.gz GTZGKXVRIRZJFX-UHFFFAOYSA-N -1 1 316.277 0.608 20 0 DCADMM COc1ncc(NC(=O)N2CC[C@@H](F)C2)cc1-c1nn[n-]n1 ZINC001591666344 1167346263 /nfs/dbraw/zinc/34/62/63/1167346263.db2.gz OZCTWZVGPXHDTE-SSDOTTSWSA-N -1 1 307.289 0.846 20 0 DCADMM CSCCCCCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001591698378 1167357766 /nfs/dbraw/zinc/35/77/66/1167357766.db2.gz BEIPWIJMGVDPFK-UHFFFAOYSA-N -1 1 324.414 0.498 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)F ZINC001591727892 1167364438 /nfs/dbraw/zinc/36/44/38/1167364438.db2.gz XWPHAFIHBFUJAR-ZETCQYMHSA-N -1 1 308.321 0.321 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)F ZINC001591727892 1167364444 /nfs/dbraw/zinc/36/44/44/1167364444.db2.gz XWPHAFIHBFUJAR-ZETCQYMHSA-N -1 1 308.321 0.321 20 0 DCADMM C[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001591760411 1167369776 /nfs/dbraw/zinc/36/97/76/1167369776.db2.gz AJFIXKYEPIQYDR-MRVPVSSYSA-N -1 1 320.357 0.982 20 0 DCADMM C[C@H](CNC(=O)OC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001591760411 1167369782 /nfs/dbraw/zinc/36/97/82/1167369782.db2.gz AJFIXKYEPIQYDR-MRVPVSSYSA-N -1 1 320.357 0.982 20 0 DCADMM C[C@@]12COC[C@]1(C)CN(C(=O)c1ccc(-c3nnn[n-]3)o1)C2 ZINC001591779952 1167376737 /nfs/dbraw/zinc/37/67/37/1167376737.db2.gz DVJFDWKHVRWPGL-OKILXGFUSA-N -1 1 303.322 0.958 20 0 DCADMM C[C@@]12COC[C@]1(C)CN(C(=O)c1ccc(-c3nn[n-]n3)o1)C2 ZINC001591779952 1167376743 /nfs/dbraw/zinc/37/67/43/1167376743.db2.gz DVJFDWKHVRWPGL-OKILXGFUSA-N -1 1 303.322 0.958 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@@H]2CCC[C@@H](C)C2)c(=O)n1C ZINC001591793893 1167381669 /nfs/dbraw/zinc/38/16/69/1167381669.db2.gz NJMNSFNCHWDTCB-MWLCHTKSSA-N -1 1 318.381 0.862 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C[C@H]2CCCCO2)nn1C ZINC001591798691 1167384633 /nfs/dbraw/zinc/38/46/33/1167384633.db2.gz MYAPHHXNWMBZFB-SECBINFHSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C[C@H]2CCCCO2)nn1C ZINC001591798691 1167384636 /nfs/dbraw/zinc/38/46/36/1167384636.db2.gz MYAPHHXNWMBZFB-SECBINFHSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1c([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cnn1C ZINC001591814434 1167386468 /nfs/dbraw/zinc/38/64/68/1167386468.db2.gz SNYBYFRKRILEIC-MRVPVSSYSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1c([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cnn1C ZINC001591814434 1167386473 /nfs/dbraw/zinc/38/64/73/1167386473.db2.gz SNYBYFRKRILEIC-MRVPVSSYSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1c[nH]c(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001591832499 1167390822 /nfs/dbraw/zinc/39/08/22/1167390822.db2.gz SYQWWBCCTGBWMJ-UHFFFAOYSA-N -1 1 301.285 0.967 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1CN(C(C)C)C1 ZINC001591836065 1167391196 /nfs/dbraw/zinc/39/11/96/1167391196.db2.gz WLWFTMLPCPKASS-UHFFFAOYSA-N -1 1 317.353 0.098 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)C3CC3)CC2)c1 ZINC001591887407 1167411230 /nfs/dbraw/zinc/41/12/30/1167411230.db2.gz HAIZBCFSAJMEJK-UHFFFAOYSA-N -1 1 313.365 0.629 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)C3CC3)CC2)c1 ZINC001591887407 1167411234 /nfs/dbraw/zinc/41/12/34/1167411234.db2.gz HAIZBCFSAJMEJK-UHFFFAOYSA-N -1 1 313.365 0.629 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@](C)(O)c2ccco2)n1 ZINC001591893918 1167412746 /nfs/dbraw/zinc/41/27/46/1167412746.db2.gz IMTRPNQURCUOGY-ZDUSSCGKSA-N -1 1 301.310 0.878 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@](C)(O)c2ccco2)n1 ZINC001591893918 1167412750 /nfs/dbraw/zinc/41/27/50/1167412750.db2.gz IMTRPNQURCUOGY-ZDUSSCGKSA-N -1 1 301.310 0.878 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC001591893855 1167414274 /nfs/dbraw/zinc/41/42/74/1167414274.db2.gz UFTSVJFRNPQUIX-HZMBPMFUSA-N -1 1 317.353 0.715 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC001591893855 1167414278 /nfs/dbraw/zinc/41/42/78/1167414278.db2.gz UFTSVJFRNPQUIX-HZMBPMFUSA-N -1 1 317.353 0.715 20 0 DCADMM Cc1cc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592004667 1167432749 /nfs/dbraw/zinc/43/27/49/1167432749.db2.gz PBMGWPHMNACMPL-ZYHUDNBSSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1cc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592004667 1167432754 /nfs/dbraw/zinc/43/27/54/1167432754.db2.gz PBMGWPHMNACMPL-ZYHUDNBSSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1cc(N2CCC[C@H](OCCO)C2)cc(-c2nnn[n-]2)n1 ZINC001592007406 1167435081 /nfs/dbraw/zinc/43/50/81/1167435081.db2.gz ZPBBDWUKMGFGFJ-LBPRGKRZSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(N2CCC[C@H](OCCO)C2)cc(-c2nn[n-]n2)n1 ZINC001592007406 1167435084 /nfs/dbraw/zinc/43/50/84/1167435084.db2.gz ZPBBDWUKMGFGFJ-LBPRGKRZSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)[nH]c(=O)n1 ZINC001592018799 1167436862 /nfs/dbraw/zinc/43/68/62/1167436862.db2.gz LLPYMTYIBHPOQF-UHFFFAOYSA-N -1 1 312.293 0.247 20 0 DCADMM Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)[nH]c(=O)n1 ZINC001592018799 1167436865 /nfs/dbraw/zinc/43/68/65/1167436865.db2.gz LLPYMTYIBHPOQF-UHFFFAOYSA-N -1 1 312.293 0.247 20 0 DCADMM Cc1cc(NC[C@@H](CO)[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592042089 1167444345 /nfs/dbraw/zinc/44/43/45/1167444345.db2.gz XAPUSDSXRMPONO-QWRGUYRKSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(NC[C@@H](CO)[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592042089 1167444351 /nfs/dbraw/zinc/44/43/51/1167444351.db2.gz XAPUSDSXRMPONO-QWRGUYRKSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(NCCCc2nnnn2C)nc(-c2nnn[n-]2)c1 ZINC001592048871 1167445980 /nfs/dbraw/zinc/44/59/80/1167445980.db2.gz QXPAJFDKRGMJII-UHFFFAOYSA-N -1 1 300.330 0.138 20 0 DCADMM Cc1cc(NCCCc2nnnn2C)nc(-c2nn[n-]n2)c1 ZINC001592048871 1167445986 /nfs/dbraw/zinc/44/59/86/1167445986.db2.gz QXPAJFDKRGMJII-UHFFFAOYSA-N -1 1 300.330 0.138 20 0 DCADMM Cc1cc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)nc(-c2nnn[n-]2)c1 ZINC001592054397 1167446142 /nfs/dbraw/zinc/44/61/42/1167446142.db2.gz PPGUPQZSWZPMNA-RKDXNWHRSA-N -1 1 308.367 0.558 20 0 DCADMM Cc1cc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)nc(-c2nn[n-]n2)c1 ZINC001592054397 1167446146 /nfs/dbraw/zinc/44/61/46/1167446146.db2.gz PPGUPQZSWZPMNA-RKDXNWHRSA-N -1 1 308.367 0.558 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001592109916 1167458793 /nfs/dbraw/zinc/45/87/93/1167458793.db2.gz HZQPVUKUMNNISJ-GHMZBOCLSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(N2CCC(C(=O)N(C)C)CC2)nc1-c1nnn[n-]1 ZINC001592174599 1167469021 /nfs/dbraw/zinc/46/90/21/1167469021.db2.gz KYAAALLMYABCSB-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM Cc1ccc(N2CCC(C(=O)N(C)C)CC2)nc1-c1nn[n-]n1 ZINC001592174599 1167469026 /nfs/dbraw/zinc/46/90/26/1167469026.db2.gz KYAAALLMYABCSB-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM Cc1ccc(N[C@H](CO)C[C@@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001592183611 1167470379 /nfs/dbraw/zinc/47/03/79/1167470379.db2.gz GPNLRWBPHAWPLS-QWRGUYRKSA-N -1 1 304.354 0.912 20 0 DCADMM Cc1ccc(N[C@H](CO)C[C@@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592183611 1167470380 /nfs/dbraw/zinc/47/03/80/1167470380.db2.gz GPNLRWBPHAWPLS-QWRGUYRKSA-N -1 1 304.354 0.912 20 0 DCADMM Cc1ccc(NCCS(=O)(=O)C2CC2)c(-c2nnn[n-]2)n1 ZINC001592185507 1167472924 /nfs/dbraw/zinc/47/29/24/1167472924.db2.gz APJMSFUCELEKKR-UHFFFAOYSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc(NCCS(=O)(=O)C2CC2)c(-c2nn[n-]n2)n1 ZINC001592185507 1167472929 /nfs/dbraw/zinc/47/29/29/1167472929.db2.gz APJMSFUCELEKKR-UHFFFAOYSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1cccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592231311 1167477875 /nfs/dbraw/zinc/47/78/75/1167477875.db2.gz TYBNMQKKAYHRIC-UHFFFAOYSA-N -1 1 309.333 0.824 20 0 DCADMM Cc1cccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592231311 1167477881 /nfs/dbraw/zinc/47/78/81/1167477881.db2.gz TYBNMQKKAYHRIC-UHFFFAOYSA-N -1 1 309.333 0.824 20 0 DCADMM Cc1ccnc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592269080 1167479941 /nfs/dbraw/zinc/47/99/41/1167479941.db2.gz BWJMXLUAJLIPJC-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1ccn(CCOC[C@@H]2CCCO2)c(=O)c1-c1nn[n-]n1 ZINC001592266863 1167480714 /nfs/dbraw/zinc/48/07/14/1167480714.db2.gz ZRXYDLRMJITTPR-NSHDSACASA-N -1 1 305.338 0.532 20 0 DCADMM Cc1cnn([C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001592303182 1167486481 /nfs/dbraw/zinc/48/64/81/1167486481.db2.gz YKYCCVVFDJVIRV-LLVKDONJSA-N -1 1 311.353 0.921 20 0 DCADMM Cc1cnn([C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001592303182 1167486485 /nfs/dbraw/zinc/48/64/85/1167486485.db2.gz YKYCCVVFDJVIRV-LLVKDONJSA-N -1 1 311.353 0.921 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccn3nccc3n2)c1-c1nn[n-]n1 ZINC001592332237 1167490355 /nfs/dbraw/zinc/49/03/55/1167490355.db2.gz CJEVQMOPVWHANY-UHFFFAOYSA-N -1 1 310.281 0.193 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cn3ccnc3s2)c1-c1nn[n-]n1 ZINC001592330188 1167490908 /nfs/dbraw/zinc/49/09/08/1167490908.db2.gz DWDZNGJQWYOGIX-UHFFFAOYSA-N -1 1 315.322 0.860 20 0 DCADMM Cc1[nH]nc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C ZINC001592331046 1167491689 /nfs/dbraw/zinc/49/16/89/1167491689.db2.gz TTWKBTWEITWZLT-UHFFFAOYSA-N -1 1 302.302 0.584 20 0 DCADMM Cc1[nH]nc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C ZINC001592331046 1167491691 /nfs/dbraw/zinc/49/16/91/1167491691.db2.gz TTWKBTWEITWZLT-UHFFFAOYSA-N -1 1 302.302 0.584 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC(n3ccnn3)CC2)n1 ZINC001592337489 1167493525 /nfs/dbraw/zinc/49/35/25/1167493525.db2.gz IATFSPBSCDINGZ-UHFFFAOYSA-N -1 1 312.341 0.398 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC(n3ccnn3)CC2)n1 ZINC001592337489 1167493529 /nfs/dbraw/zinc/49/35/29/1167493529.db2.gz IATFSPBSCDINGZ-UHFFFAOYSA-N -1 1 312.341 0.398 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC001592337848 1167493866 /nfs/dbraw/zinc/49/38/66/1167493866.db2.gz PSKHTDJPEHQYNB-GHMZBOCLSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC001592337848 1167493869 /nfs/dbraw/zinc/49/38/69/1167493869.db2.gz PSKHTDJPEHQYNB-GHMZBOCLSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[S@](=O)[C@H](C)[C@@H]2C)n1 ZINC001592341646 1167494888 /nfs/dbraw/zinc/49/48/88/1167494888.db2.gz YVIYEWIRZSLWOU-UWVJKVLLSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[S@](=O)[C@H](C)[C@@H]2C)n1 ZINC001592341646 1167494891 /nfs/dbraw/zinc/49/48/91/1167494891.db2.gz YVIYEWIRZSLWOU-UWVJKVLLSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1noc([C@H]2CCCN2c2cc(-c3nnn[n-]3)nc(C)n2)n1 ZINC001592341292 1167494930 /nfs/dbraw/zinc/49/49/30/1167494930.db2.gz OZZWXVOMZGYSKC-SNVBAGLBSA-N -1 1 313.325 0.998 20 0 DCADMM Cc1noc([C@H]2CCCN2c2cc(-c3nn[n-]n3)nc(C)n2)n1 ZINC001592341292 1167494934 /nfs/dbraw/zinc/49/49/34/1167494934.db2.gz OZZWXVOMZGYSKC-SNVBAGLBSA-N -1 1 313.325 0.998 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](CCO)CC2)n1 ZINC001592341204 1167496171 /nfs/dbraw/zinc/49/61/71/1167496171.db2.gz OYYSNQKHFDWXTF-NSHDSACASA-N -1 1 303.370 0.954 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](CCO)CC2)n1 ZINC001592341204 1167496172 /nfs/dbraw/zinc/49/61/72/1167496172.db2.gz OYYSNQKHFDWXTF-NSHDSACASA-N -1 1 303.370 0.954 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H](C)C(=O)N(C)C)n1 ZINC001592353663 1167501779 /nfs/dbraw/zinc/50/17/79/1167501779.db2.gz HQUMUJXTPBWCDS-ZETCQYMHSA-N -1 1 307.383 0.842 20 0 DCADMM Cc1nc([C@H](C)OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)no1 ZINC001592353364 1167502069 /nfs/dbraw/zinc/50/20/69/1167502069.db2.gz CUQPRYAJMIJJQO-RITPCOANSA-N -1 1 319.285 0.015 20 0 DCADMM Cc1nc(Cl)cc(NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001592362353 1167504948 /nfs/dbraw/zinc/50/49/48/1167504948.db2.gz DWXKNILEBJGUCA-UHFFFAOYSA-N -1 1 306.721 0.322 20 0 DCADMM Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001592398640 1167511292 /nfs/dbraw/zinc/51/12/92/1167511292.db2.gz NLUQCUCWCUXSJP-UHFFFAOYSA-N -1 1 324.304 0.222 20 0 DCADMM Cc1nc(Sc2nnnn2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001592399623 1167511899 /nfs/dbraw/zinc/51/18/99/1167511899.db2.gz ODGDSCXTYULASG-UHFFFAOYSA-N -1 1 302.327 0.438 20 0 DCADMM Cc1nc(Sc2nnnn2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001592399623 1167511906 /nfs/dbraw/zinc/51/19/06/1167511906.db2.gz ODGDSCXTYULASG-UHFFFAOYSA-N -1 1 302.327 0.438 20 0 DCADMM Cc1nc2n(n1)CCN(c1nc(-c3nn[n-]n3)c(Cl)s1)C2 ZINC001592404758 1167514154 /nfs/dbraw/zinc/51/41/54/1167514154.db2.gz DXHRUKPRWAZQTJ-UHFFFAOYSA-N -1 1 323.773 0.897 20 0 DCADMM Cc1ncoc1COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592423139 1167517283 /nfs/dbraw/zinc/51/72/83/1167517283.db2.gz XPPXILNTRCBOQZ-ZETCQYMHSA-N -1 1 304.270 0.059 20 0 DCADMM Cc1nn(Cc2nc3ccccc3[nH]2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437305 1167523356 /nfs/dbraw/zinc/52/33/56/1167523356.db2.gz BXFQKPCJPONAOR-UHFFFAOYSA-N -1 1 322.332 0.965 20 0 DCADMM Cc1nsc(NC(=O)NC2([C@H](C)O)CC2)c1-c1nnn[n-]1 ZINC001592481539 1167537823 /nfs/dbraw/zinc/53/78/23/1167537823.db2.gz RLGHBGAAEJGVKM-LURJTMIESA-N -1 1 309.355 0.667 20 0 DCADMM Cc1nsc(NC(=O)NC2([C@H](C)O)CC2)c1-c1nn[n-]n1 ZINC001592481539 1167537829 /nfs/dbraw/zinc/53/78/29/1167537829.db2.gz RLGHBGAAEJGVKM-LURJTMIESA-N -1 1 309.355 0.667 20 0 DCADMM Cc1nsc(NCCCc2ncnn2C)c1-c1nn[n-]n1 ZINC001592492566 1167538132 /nfs/dbraw/zinc/53/81/32/1167538132.db2.gz BYQKUMNKOFYMGT-UHFFFAOYSA-N -1 1 305.371 0.805 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cncn1C ZINC001592501397 1167540936 /nfs/dbraw/zinc/54/09/36/1167540936.db2.gz PYTCCOJUOLUNSD-UHFFFAOYSA-N -1 1 301.310 0.474 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cncn1C ZINC001592501397 1167540943 /nfs/dbraw/zinc/54/09/43/1167540943.db2.gz PYTCCOJUOLUNSD-UHFFFAOYSA-N -1 1 301.310 0.474 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCOC[C@@H]1CCCO1 ZINC001592501366 1167542015 /nfs/dbraw/zinc/54/20/15/1167542015.db2.gz PNPOERFKDSSFDM-JTQLQIEISA-N -1 1 321.337 0.694 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCOC[C@@H]1CCCO1 ZINC001592501366 1167542021 /nfs/dbraw/zinc/54/20/21/1167542021.db2.gz PNPOERFKDSSFDM-JTQLQIEISA-N -1 1 321.337 0.694 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCNC(=O)NC(C)C ZINC001592504241 1167545456 /nfs/dbraw/zinc/54/54/56/1167545456.db2.gz ZWVWTQXEMCTICN-UHFFFAOYSA-N -1 1 322.325 0.633 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCNC(=O)NC(C)C ZINC001592504241 1167545468 /nfs/dbraw/zinc/54/54/68/1167545468.db2.gz ZWVWTQXEMCTICN-UHFFFAOYSA-N -1 1 322.325 0.633 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](CO)C[C@H]2C)c1-c1nnn[n-]1 ZINC001592515951 1167546372 /nfs/dbraw/zinc/54/63/72/1167546372.db2.gz SWVOQCCMPWJWFZ-PSASIEDQSA-N -1 1 320.353 0.325 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](CO)C[C@H]2C)c1-c1nn[n-]n1 ZINC001592515951 1167546379 /nfs/dbraw/zinc/54/63/79/1167546379.db2.gz SWVOQCCMPWJWFZ-PSASIEDQSA-N -1 1 320.353 0.325 20 0 DCADMM Cn1c(=O)[nH]c(N2CCC[C@H]3CCC[C@@H]32)c(-c2nn[n-]n2)c1=O ZINC001592542912 1167550963 /nfs/dbraw/zinc/55/09/63/1167550963.db2.gz CNVFWNBOFSQWKF-BDAKNGLRSA-N -1 1 317.353 0.023 20 0 DCADMM Cn1c(=O)[nH]c(N[C@H]2CCC[C@@H](F)C2)c(-c2nn[n-]n2)c1=O ZINC001592545635 1167551074 /nfs/dbraw/zinc/55/10/74/1167551074.db2.gz HLSNXTJIMMTOPV-RQJHMYQMSA-N -1 1 309.305 0.359 20 0 DCADMM Cn1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)ccc1=O ZINC001592574899 1167566198 /nfs/dbraw/zinc/56/61/98/1167566198.db2.gz RZPYIXCEBKIOEU-UHFFFAOYSA-N -1 1 302.319 0.879 20 0 DCADMM Cn1ccc2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cc21 ZINC001592581395 1167569867 /nfs/dbraw/zinc/56/98/67/1167569867.db2.gz BKMUMZRMRBGKNR-UHFFFAOYSA-N -1 1 308.305 0.826 20 0 DCADMM Cn1ncc(CNCc2cc(-c3nn[nH]n3)cs2)c1C(=O)[O-] ZINC001592601380 1167578382 /nfs/dbraw/zinc/57/83/82/1167578382.db2.gz LKJUMHSPWTUFBH-UHFFFAOYSA-N -1 1 319.350 0.650 20 0 DCADMM Cn1ncc(CCCOC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC001592601697 1167579664 /nfs/dbraw/zinc/57/96/64/1167579664.db2.gz VCFLKPULIFAINM-UHFFFAOYSA-N -1 1 319.350 0.846 20 0 DCADMM Cn1nncc1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592612615 1167583236 /nfs/dbraw/zinc/58/32/36/1167583236.db2.gz UKMDUPMSUMFFMG-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM Cn1nncc1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592612615 1167583240 /nfs/dbraw/zinc/58/32/40/1167583240.db2.gz UKMDUPMSUMFFMG-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM NC(=O)C1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001592717068 1167611608 /nfs/dbraw/zinc/61/16/08/1167611608.db2.gz BILSIOAOWVXTMN-UHFFFAOYSA-N -1 1 315.337 0.037 20 0 DCADMM NC(=O)C1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001592717068 1167611614 /nfs/dbraw/zinc/61/16/14/1167611614.db2.gz BILSIOAOWVXTMN-UHFFFAOYSA-N -1 1 315.337 0.037 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592722148 1167613843 /nfs/dbraw/zinc/61/38/43/1167613843.db2.gz WRWLEJXMNHASTI-RKDXNWHRSA-N -1 1 315.337 0.036 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592722148 1167613847 /nfs/dbraw/zinc/61/38/47/1167613847.db2.gz WRWLEJXMNHASTI-RKDXNWHRSA-N -1 1 315.337 0.036 20 0 DCADMM NC(=O)c1ccc(Oc2nccnc2-c2nn[n-]n2)c(F)c1 ZINC001592737122 1167623066 /nfs/dbraw/zinc/62/30/66/1167623066.db2.gz ZHHTTYCOQSHIFR-UHFFFAOYSA-N -1 1 301.241 0.687 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCOCc1ccccc1 ZINC001592753304 1167631071 /nfs/dbraw/zinc/63/10/71/1167631071.db2.gz QHZYXWMQSTZBOI-UHFFFAOYSA-N -1 1 313.321 0.893 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@]12C[C@H]1COC21CCC1 ZINC001592752896 1167631939 /nfs/dbraw/zinc/63/19/39/1167631939.db2.gz FJUUGPDNYWSOFM-CPFSXVBKSA-N -1 1 301.310 0.245 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cnn2c1CCCC2 ZINC001592753504 1167631975 /nfs/dbraw/zinc/63/19/75/1167631975.db2.gz UNCHJMGEMBJUCM-UHFFFAOYSA-N -1 1 313.325 0.061 20 0 DCADMM O=C(CCNc1ncncc1-c1nn[n-]n1)NC1CCCCC1 ZINC001592845070 1167649548 /nfs/dbraw/zinc/64/95/48/1167649548.db2.gz SKMOLQRBBNZFOY-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM O=C(CCNc1cnc(-c2nnn[n-]2)cn1)N1CCCCCC1 ZINC001592845141 1167650526 /nfs/dbraw/zinc/65/05/26/1167650526.db2.gz UYWLXZCKLZJWMD-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C(CCNc1cnc(-c2nn[n-]n2)cn1)N1CCCCCC1 ZINC001592845141 1167650528 /nfs/dbraw/zinc/65/05/28/1167650528.db2.gz UYWLXZCKLZJWMD-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C(CN1CCCC1=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592865346 1167651737 /nfs/dbraw/zinc/65/17/37/1167651737.db2.gz XSFCRFSHQPMMSY-UHFFFAOYSA-N -1 1 306.351 0.167 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC([C@H]2CCOC2)C1 ZINC001592914063 1167663621 /nfs/dbraw/zinc/66/36/21/1167663621.db2.gz VFVKOFXLVIFKAD-NSHDSACASA-N -1 1 314.349 0.299 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC([C@H]2CCOC2)C1 ZINC001592914063 1167663624 /nfs/dbraw/zinc/66/36/24/1167663624.db2.gz VFVKOFXLVIFKAD-NSHDSACASA-N -1 1 314.349 0.299 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCCOCC1 ZINC001592914680 1167664693 /nfs/dbraw/zinc/66/46/93/1167664693.db2.gz FPGZVXRVDOVDPK-LLVKDONJSA-N -1 1 302.338 0.490 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCCOCC1 ZINC001592914680 1167664698 /nfs/dbraw/zinc/66/46/98/1167664698.db2.gz FPGZVXRVDOVDPK-LLVKDONJSA-N -1 1 302.338 0.490 20 0 DCADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)OCC(F)(F)F ZINC001592937186 1167667667 /nfs/dbraw/zinc/66/76/67/1167667667.db2.gz LBEMNVGFXANUSH-UHFFFAOYSA-N -1 1 303.200 0.134 20 0 DCADMM O=C(N[C@H](CCO)C(F)(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001592950070 1167671780 /nfs/dbraw/zinc/67/17/80/1167671780.db2.gz RQBMKXYTNFOOSR-MRVPVSSYSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(N[C@H](CCO)C(F)(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001592950070 1167671783 /nfs/dbraw/zinc/67/17/83/1167671783.db2.gz RQBMKXYTNFOOSR-MRVPVSSYSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(N[C@H](CCO)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001592950395 1167672313 /nfs/dbraw/zinc/67/23/13/1167672313.db2.gz XDUXGHQNMGFJHM-SSDOTTSWSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(N[C@H](CCO)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001592950395 1167672316 /nfs/dbraw/zinc/67/23/16/1167672316.db2.gz XDUXGHQNMGFJHM-SSDOTTSWSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(N[C@H](CO)c1ncc[nH]1)c1ccsc1-c1nnn[n-]1 ZINC001592954363 1167674297 /nfs/dbraw/zinc/67/42/97/1167674297.db2.gz JWRSVFBENYOXBX-SSDOTTSWSA-N -1 1 305.323 0.115 20 0 DCADMM O=C(N[C@H](CO)c1ncc[nH]1)c1ccsc1-c1nn[n-]n1 ZINC001592954363 1167674301 /nfs/dbraw/zinc/67/43/01/1167674301.db2.gz JWRSVFBENYOXBX-SSDOTTSWSA-N -1 1 305.323 0.115 20 0 DCADMM O=C(N[C@@H]1CCCC12OCCO2)c1ccc(-c2nnn[n-]2)o1 ZINC001592980237 1167679854 /nfs/dbraw/zinc/67/98/54/1167679854.db2.gz XDGZGZOWJYCQJO-SNVBAGLBSA-N -1 1 305.294 0.485 20 0 DCADMM O=C(N[C@@H]1CCCC12OCCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001592980237 1167679858 /nfs/dbraw/zinc/67/98/58/1167679858.db2.gz XDGZGZOWJYCQJO-SNVBAGLBSA-N -1 1 305.294 0.485 20 0 DCADMM O=C(NC[C@H](CO)CC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593006477 1167685332 /nfs/dbraw/zinc/68/53/32/1167685332.db2.gz KCGVKADJEVKBHZ-SNVBAGLBSA-N -1 1 302.338 0.400 20 0 DCADMM O=C(NC[C@H](CO)CC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593006477 1167685339 /nfs/dbraw/zinc/68/53/39/1167685339.db2.gz KCGVKADJEVKBHZ-SNVBAGLBSA-N -1 1 302.338 0.400 20 0 DCADMM O=C(NCCCNc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CC1(F)F ZINC001593075757 1167697945 /nfs/dbraw/zinc/69/79/45/1167697945.db2.gz PEWCPMZVVGICEV-ZETCQYMHSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCCNc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CC1(F)F ZINC001593075757 1167697952 /nfs/dbraw/zinc/69/79/52/1167697952.db2.gz PEWCPMZVVGICEV-ZETCQYMHSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCCNc1ncncc1-c1nn[n-]n1)c1ccccc1 ZINC001593078439 1167700602 /nfs/dbraw/zinc/70/06/02/1167700602.db2.gz BIRMUWFWCWEWTD-UHFFFAOYSA-N -1 1 324.348 0.889 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)C1(CCF)CC1 ZINC001593092272 1167706401 /nfs/dbraw/zinc/70/64/01/1167706401.db2.gz ZKFRHLVTUNYNIX-UHFFFAOYSA-N -1 1 320.332 0.325 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)C1(CCF)CC1 ZINC001593092272 1167706406 /nfs/dbraw/zinc/70/64/06/1167706406.db2.gz ZKFRHLVTUNYNIX-UHFFFAOYSA-N -1 1 320.332 0.325 20 0 DCADMM O=C(NCCOC[C@H]1CCOC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593097276 1167706532 /nfs/dbraw/zinc/70/65/32/1167706532.db2.gz RGAABBFIMIBBGX-JTQLQIEISA-N -1 1 318.337 0.045 20 0 DCADMM O=C(NCCOC[C@H]1CCOC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593097276 1167706538 /nfs/dbraw/zinc/70/65/38/1167706538.db2.gz RGAABBFIMIBBGX-JTQLQIEISA-N -1 1 318.337 0.045 20 0 DCADMM O=C(NC[C@@H](O)C(F)(F)F)c1ccsc1-c1nnn[n-]1 ZINC001593111920 1167710929 /nfs/dbraw/zinc/71/09/29/1167710929.db2.gz CWLVZOBELBRORC-RXMQYKEDSA-N -1 1 307.257 0.581 20 0 DCADMM O=C(NC[C@@H](O)C(F)(F)F)c1ccsc1-c1nn[n-]n1 ZINC001593111920 1167710936 /nfs/dbraw/zinc/71/09/36/1167710936.db2.gz CWLVZOBELBRORC-RXMQYKEDSA-N -1 1 307.257 0.581 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1C1CC1 ZINC001593109782 1167711134 /nfs/dbraw/zinc/71/11/34/1167711134.db2.gz OXYCDPDIXKTTHV-SNVBAGLBSA-N -1 1 317.357 0.042 20 0 DCADMM O=C(NCCn1cncn1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593113064 1167713323 /nfs/dbraw/zinc/71/33/23/1167713323.db2.gz XHFWODQMDLUAIH-UHFFFAOYSA-N -1 1 323.320 0.370 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@H]1CCCO1 ZINC001593122073 1167715561 /nfs/dbraw/zinc/71/55/61/1167715561.db2.gz WCJQREYGPZKHRP-SNVBAGLBSA-N -1 1 309.276 0.940 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@H]1CCCO1 ZINC001593122073 1167715567 /nfs/dbraw/zinc/71/55/67/1167715567.db2.gz WCJQREYGPZKHRP-SNVBAGLBSA-N -1 1 309.276 0.940 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H]1CCCOC1 ZINC001593151231 1167725653 /nfs/dbraw/zinc/72/56/53/1167725653.db2.gz SAZWEUZYCLIAGC-SSDOTTSWSA-N -1 1 309.355 0.301 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H]1CCCOC1 ZINC001593151231 1167725664 /nfs/dbraw/zinc/72/56/64/1167725664.db2.gz SAZWEUZYCLIAGC-SSDOTTSWSA-N -1 1 309.355 0.301 20 0 DCADMM O=C(N[C@H]1C[C@@H](CO)C1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593185635 1167732761 /nfs/dbraw/zinc/73/27/61/1167732761.db2.gz ONLKWBJBNWNYCV-WRXNHJIOSA-N -1 1 309.276 0.646 20 0 DCADMM O=C(N[C@H]1C[C@@H](CO)C1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593185635 1167732767 /nfs/dbraw/zinc/73/27/67/1167732767.db2.gz ONLKWBJBNWNYCV-WRXNHJIOSA-N -1 1 309.276 0.646 20 0 DCADMM O=C(Nc1ccc(-n2nccn2)nc1)c1coc(-c2nnn[n-]2)c1 ZINC001593224119 1167741403 /nfs/dbraw/zinc/74/14/03/1167741403.db2.gz PSDCRJSVOSUESR-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1ccc(-n2nccn2)nc1)c1coc(-c2nn[n-]n2)c1 ZINC001593224119 1167741410 /nfs/dbraw/zinc/74/14/10/1167741410.db2.gz PSDCRJSVOSUESR-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCCc2n[nH]cc21 ZINC001593243535 1167743693 /nfs/dbraw/zinc/74/36/93/1167743693.db2.gz FVKORVTYFMDTAM-UHFFFAOYSA-N -1 1 311.309 0.970 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1csc2cncn21 ZINC001593259964 1167745483 /nfs/dbraw/zinc/74/54/83/1167745483.db2.gz FWMGTTLFHFLWRI-UHFFFAOYSA-N -1 1 301.295 0.551 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCOCC1 ZINC001593280600 1167753822 /nfs/dbraw/zinc/75/38/22/1167753822.db2.gz ODMHZDUKVCYFAH-UHFFFAOYSA-N -1 1 306.278 0.612 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC([C@@H]2CCOC2)C1 ZINC001593337090 1167778568 /nfs/dbraw/zinc/77/85/68/1167778568.db2.gz NRPNYJSIRSCZCO-SNVBAGLBSA-N -1 1 300.322 0.370 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC([C@@H]2CCOC2)C1 ZINC001593337090 1167778574 /nfs/dbraw/zinc/77/85/74/1167778574.db2.gz NRPNYJSIRSCZCO-SNVBAGLBSA-N -1 1 300.322 0.370 20 0 DCADMM O=C(OCC[C@@H]1CNC(=O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593385344 1167799761 /nfs/dbraw/zinc/79/97/61/1167799761.db2.gz KFDKLSAXHYPVGS-QMMMGPOBSA-N -1 1 319.296 0.689 20 0 DCADMM O=C(OCC[C@@H]1CNC(=O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593385344 1167799768 /nfs/dbraw/zinc/79/97/68/1167799768.db2.gz KFDKLSAXHYPVGS-QMMMGPOBSA-N -1 1 319.296 0.689 20 0 DCADMM O=C1CCN(c2ccnc(-c3nn[n-]n3)n2)CCCCCN1 ZINC001593394115 1167805854 /nfs/dbraw/zinc/80/58/54/1167805854.db2.gz FGNMJZFSFDIERX-UHFFFAOYSA-N -1 1 302.342 0.153 20 0 DCADMM O=C1CN(Cc2ccc(-c3nnn[n-]3)o2)CN1CC(F)(F)F ZINC001593398587 1167810077 /nfs/dbraw/zinc/81/00/77/1167810077.db2.gz AIBMEUZNZRNEOR-UHFFFAOYSA-N -1 1 316.243 0.624 20 0 DCADMM O=C1CN(Cc2ccc(-c3nn[n-]n3)o2)CN1CC(F)(F)F ZINC001593398587 1167810090 /nfs/dbraw/zinc/81/00/90/1167810090.db2.gz AIBMEUZNZRNEOR-UHFFFAOYSA-N -1 1 316.243 0.624 20 0 DCADMM O=C1O[C@@H](Cn2cccc(-c3nn[n-]n3)c2=O)CC12CCC2 ZINC001593412596 1167820631 /nfs/dbraw/zinc/82/06/31/1167820631.db2.gz CIGWDNGVHQOKRR-SECBINFHSA-N -1 1 301.306 0.514 20 0 DCADMM O=C1N[C@H](c2csc(-c3nn[n-]n3)c2)N2CCSC[C@@H]12 ZINC001593412695 1167820694 /nfs/dbraw/zinc/82/06/94/1167820694.db2.gz BJVVTCISAGUBAY-XVKPBYJWSA-N -1 1 308.392 0.474 20 0 DCADMM O=S(=O)(NCC1(C2CC2)CC1)c1cccnc1-c1nn[n-]n1 ZINC001593432598 1167835397 /nfs/dbraw/zinc/83/53/97/1167835397.db2.gz OAHGDAZXNXLZBX-UHFFFAOYSA-N -1 1 320.378 0.730 20 0 DCADMM O=S(=O)(NCc1cccs1)c1cccnc1-c1nn[n-]n1 ZINC001593442606 1167841218 /nfs/dbraw/zinc/84/12/18/1167841218.db2.gz FKDJDOSMGUBXBE-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM O=S1(=O)CCC(CNc2cccnc2-c2nnn[n-]2)CC1 ZINC001593463210 1167853528 /nfs/dbraw/zinc/85/35/28/1167853528.db2.gz DKWFBHQGXHKCFA-UHFFFAOYSA-N -1 1 308.367 0.498 20 0 DCADMM O=S1(=O)CCC(CNc2cccnc2-c2nn[n-]n2)CC1 ZINC001593463210 1167853538 /nfs/dbraw/zinc/85/35/38/1167853538.db2.gz DKWFBHQGXHKCFA-UHFFFAOYSA-N -1 1 308.367 0.498 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1cccc(Cl)c1F ZINC001593489153 1167870639 /nfs/dbraw/zinc/87/06/39/1167870639.db2.gz BOBQEDJARVTFIE-UHFFFAOYSA-N -1 1 322.687 0.970 20 0 DCADMM O=c1c(-c2nnn[n-]2)cccn1CN1CC[C@@H](c2cccnc2)C1 ZINC001593492098 1167875927 /nfs/dbraw/zinc/87/59/27/1167875927.db2.gz BPRLIAJCMHEHDV-CYBMUJFWSA-N -1 1 323.360 0.870 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCC1(O)CCC1)CCC2 ZINC001593492503 1167876404 /nfs/dbraw/zinc/87/64/04/1167876404.db2.gz RUBBTAUTPGNQLS-UHFFFAOYSA-N -1 1 301.350 0.822 20 0 DCADMM O=c1c(-c2nnn[n-]2)cccn1CN1CC[C@@H]2CSC[C@H]2C1 ZINC001593492342 1167876742 /nfs/dbraw/zinc/87/67/42/1167876742.db2.gz HOPAKXJKWGMJDL-GHMZBOCLSA-N -1 1 318.406 0.671 20 0 DCADMM O=c1[n-]nc([C@@H]2CCCN(c3cnc(-c4nn[nH]n4)cn3)C2)o1 ZINC001593490299 1167877231 /nfs/dbraw/zinc/87/72/31/1167877231.db2.gz YNNDWQYTGRPKLP-SSDOTTSWSA-N -1 1 315.297 0.129 20 0 DCADMM O=c1ccccn1Cc1noc(-c2ccc(-c3nn[n-]n3)o2)n1 ZINC001593497332 1167879609 /nfs/dbraw/zinc/87/96/09/1167879609.db2.gz GNTOCCNSFYQDHD-UHFFFAOYSA-N -1 1 311.261 0.720 20 0 DCADMM OC[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001593524798 1167902232 /nfs/dbraw/zinc/90/22/32/1167902232.db2.gz SBRCPIUSOIGXDD-LLVKDONJSA-N -1 1 303.370 0.679 20 0 DCADMM O[C@H](CNc1cc(-c2nnn[n-]2)ncn1)c1ccc(F)cc1 ZINC001593536731 1167918195 /nfs/dbraw/zinc/91/81/95/1167918195.db2.gz SIYYRVJPVGXZQW-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM O[C@H](CNc1cc(-c2nn[n-]n2)ncn1)c1ccc(F)cc1 ZINC001593536731 1167918197 /nfs/dbraw/zinc/91/81/97/1167918197.db2.gz SIYYRVJPVGXZQW-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM S=C(NCCn1cnc(-c2nn[n-]n2)n1)Nc1ccsc1 ZINC001593542659 1167920062 /nfs/dbraw/zinc/92/00/62/1167920062.db2.gz YLOLGNCFOURCIL-UHFFFAOYSA-N -1 1 321.395 0.506 20 0 DCADMM OC[C@H](CCc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001593542761 1167920349 /nfs/dbraw/zinc/92/03/49/1167920349.db2.gz SVTBKGUYFCGZNL-LBPRGKRZSA-N -1 1 311.349 0.484 20 0 DCADMM c1ccc(N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001593576242 1167945028 /nfs/dbraw/zinc/94/50/28/1167945028.db2.gz SCJMFIJSFDHFTP-JTQLQIEISA-N -1 1 309.337 0.743 20 0 DCADMM c1ccc(N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001593576242 1167945045 /nfs/dbraw/zinc/94/50/45/1167945045.db2.gz SCJMFIJSFDHFTP-JTQLQIEISA-N -1 1 309.337 0.743 20 0 DCADMM c1cc(-c2nnn[n-]2)oc1CN1CCN(Cc2cn[nH]c2)CC1 ZINC001593589093 1167951353 /nfs/dbraw/zinc/95/13/53/1167951353.db2.gz MZDMKQWOJDJGJK-UHFFFAOYSA-N -1 1 314.353 0.501 20 0 DCADMM c1cnc(C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)nc1 ZINC001593584622 1167952247 /nfs/dbraw/zinc/95/22/47/1167952247.db2.gz ZHWYIXNEOSCSHB-UHFFFAOYSA-N -1 1 309.337 0.831 20 0 DCADMM c1cnc(C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001593584622 1167952252 /nfs/dbraw/zinc/95/22/52/1167952252.db2.gz ZHWYIXNEOSCSHB-UHFFFAOYSA-N -1 1 309.337 0.831 20 0 DCADMM c1nc(-c2nn[n-]n2)ncc1OC[C@@H]1CCC2(CCOCC2)O1 ZINC001593590170 1167953545 /nfs/dbraw/zinc/95/35/45/1167953545.db2.gz IYOWSQPGJNPBSH-JTQLQIEISA-N -1 1 318.337 0.764 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCC([C@@H]3CCOC3)CC2)n1 ZINC001593590489 1167955226 /nfs/dbraw/zinc/95/52/26/1167955226.db2.gz VJMRVUIVRWMTTR-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCC([C@@H]3CCOC3)CC2)n1 ZINC001593590489 1167955231 /nfs/dbraw/zinc/95/52/31/1167955231.db2.gz VJMRVUIVRWMTTR-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1nncn1CC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001593594056 1167957216 /nfs/dbraw/zinc/95/72/16/1167957216.db2.gz ZMSLLWLBQFIUFG-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM c1nncn1CC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001593594056 1167957220 /nfs/dbraw/zinc/95/72/20/1167957220.db2.gz ZMSLLWLBQFIUFG-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cnc2c(c1)nnn2C ZINC001593758177 1167961858 /nfs/dbraw/zinc/96/18/58/1167961858.db2.gz APXKNQWAAPJXJS-UHFFFAOYSA-N -1 1 315.341 0.175 20 0 DCADMM COc1ccc(C(=O)NC2(c3nn[n-]n3)CCC2)c(N)c1F ZINC001593864191 1167963029 /nfs/dbraw/zinc/96/30/29/1167963029.db2.gz SRPKFBLTOSEQRH-UHFFFAOYSA-N -1 1 306.301 0.739 20 0 DCADMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1CC(=O)NCC1CCC1 ZINC001594342331 1167965676 /nfs/dbraw/zinc/96/56/76/1167965676.db2.gz ZIDLPDIDRGAWBV-VZZFWQQMSA-N -1 1 310.394 0.998 20 0 DCADMM Cc1ccn2cnc(C(=O)Nc3nc4nc(C)cc(=O)n4[n-]3)c2c1 ZINC001596081863 1167987073 /nfs/dbraw/zinc/98/70/73/1167987073.db2.gz YKHFMNLNZGQPKT-UHFFFAOYSA-N -1 1 323.316 0.934 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)c3ncoc3C3CC3)nc2n1 ZINC001596088548 1167987288 /nfs/dbraw/zinc/98/72/88/1167987288.db2.gz YBPFMPRZWICKTI-UHFFFAOYSA-N -1 1 300.278 0.844 20 0 DCADMM O=C(NCc1nnc2c(=O)[nH]ccn12)c1c([O-])cccc1F ZINC001596441178 1167993474 /nfs/dbraw/zinc/99/34/74/1167993474.db2.gz KJLDZYCZVKNIAC-UHFFFAOYSA-N -1 1 303.253 0.192 20 0 DCADMM O=C(NCc1noc2c1COCC2)C(=O)c1ccc([O-])cc1 ZINC001597242236 1168003644 /nfs/dbraw/zinc/00/36/44/1168003644.db2.gz JUUGFAQQKKYBNR-UHFFFAOYSA-N -1 1 302.286 0.952 20 0 DCADMM Cc1c(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)n[nH]c1C(F)(F)F ZINC001600007389 1168091173 /nfs/dbraw/zinc/09/11/73/1168091173.db2.gz ICATXOWQNBFURK-JTQLQIEISA-N -1 1 307.228 0.399 20 0 DCADMM Cc1c(NC(=O)[C@@H]2CCc3nc[nH]c3C2)cnn1CC(=O)[O-] ZINC001600032688 1168106225 /nfs/dbraw/zinc/10/62/25/1168106225.db2.gz OWNGMSVYTVMVFB-SECBINFHSA-N -1 1 303.322 0.743 20 0 DCADMM Cc1c(NC(=O)[C@H]2CCc3nc[nH]c3C2)cnn1CC(=O)[O-] ZINC001600032696 1168106497 /nfs/dbraw/zinc/10/64/97/1168106497.db2.gz OWNGMSVYTVMVFB-VIFPVBQESA-N -1 1 303.322 0.743 20 0 DCADMM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001600129486 1168125381 /nfs/dbraw/zinc/12/53/81/1168125381.db2.gz FEFPNLAYTLZXOZ-QWRGUYRKSA-N -1 1 308.334 0.567 20 0 DCADMM Cc1cc(NC(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)ccc1C(=O)[O-] ZINC001600242250 1168145431 /nfs/dbraw/zinc/14/54/31/1168145431.db2.gz ZXMSOXKBCUDRKP-QWRGUYRKSA-N -1 1 319.361 0.841 20 0 DCADMM Cc1cc(NC(=O)C(=O)N2CCNC(C)(C)C2)cc(C(=O)[O-])c1 ZINC001600245531 1168147268 /nfs/dbraw/zinc/14/72/68/1168147268.db2.gz OYPUEPIDMCOIOR-UHFFFAOYSA-N -1 1 319.361 0.842 20 0 DCADMM Cc1cc(NC(=O)CN[C@H]2CCO[C@H]2C(=O)[O-])n(C(C)(C)C)n1 ZINC001600256389 1168151508 /nfs/dbraw/zinc/15/15/08/1168151508.db2.gz MGGNIYNKPPEBSI-GXFFZTMASA-N -1 1 324.381 0.717 20 0 DCADMM Cc1ccc([C@H](N)C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cc1 ZINC001600380895 1168177209 /nfs/dbraw/zinc/17/72/09/1168177209.db2.gz XOCQMZXCDVKMTQ-IHRRRGAJSA-N -1 1 306.362 0.848 20 0 DCADMM Cc1cnc(CN(C)CCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cn1 ZINC001600620456 1168216317 /nfs/dbraw/zinc/21/63/17/1168216317.db2.gz JEHINWURHWYTQH-KGLIPLIRSA-N -1 1 320.393 0.786 20 0 DCADMM Cc1n[nH]c(C)c1NC(=O)CN1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001600671355 1168239822 /nfs/dbraw/zinc/23/98/22/1168239822.db2.gz ZWURITWSLJIECE-XHDPSFHLSA-N -1 1 322.365 0.388 20 0 DCADMM Cc1[nH]ncc1CN(C)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001600675156 1168242550 /nfs/dbraw/zinc/24/25/50/1168242550.db2.gz WUWLPUGVQGANEZ-UHFFFAOYSA-N -1 1 316.364 0.694 20 0 DCADMM Cc1nn(C)c(C)c1OS(=O)(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001600771333 1168287470 /nfs/dbraw/zinc/28/74/70/1168287470.db2.gz PHUVTNHXGGVXLN-UHFFFAOYSA-N -1 1 300.296 0.226 20 0 DCADMM Cc1nc([C@H](C)NC(=O)COCc2ocnc2C(=O)[O-])n[nH]1 ZINC001600793499 1168298056 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Cn1nc2c(c1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])CCC2 ZINC001601017879 1168566033 /nfs/dbraw/zinc/56/60/33/1168566033.db2.gz PQAPZQWOKFTNQY-LLVKDONJSA-N -1 1 303.322 0.058 20 0 DCADMM N[C@@H](C(=O)N[C@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001601174195 1168622408 /nfs/dbraw/zinc/62/24/08/1168622408.db2.gz UHOBZUJPBZNTMG-VXGBXAGGSA-N -1 1 305.359 0.955 20 0 DCADMM Nc1cn[nH]c1[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001601218608 1168663999 /nfs/dbraw/zinc/66/39/99/1168663999.db2.gz NVPFHSORLIILPX-MRVPVSSYSA-N -1 1 301.306 0.715 20 0 DCADMM O=C([O-])c1coc(C=CC(=O)N[C@H](CO)Cc2cnc[nH]2)c1 ZINC001601235827 1168672123 /nfs/dbraw/zinc/67/21/23/1168672123.db2.gz WDVIMODALKTHIP-GXFZAYBSSA-N -1 1 305.290 0.434 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cncc(O)c1 ZINC001601246159 1168674705 /nfs/dbraw/zinc/67/47/05/1168674705.db2.gz RZLWRFAQVGOIIG-ISUDXETCSA-N -1 1 302.290 0.336 20 0 DCADMM O=C([O-])[C@]1(O)CCN(CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC001601305029 1168697519 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/nfs/dbraw/zinc/96/34/90/1169963490.db2.gz MFGCPCNOTBCJQN-NSHDSACASA-N -1 1 319.369 0.820 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCOC[C@@H]2CCOC2)n1 ZINC001605578428 1169963495 /nfs/dbraw/zinc/96/34/95/1169963495.db2.gz MFGCPCNOTBCJQN-NSHDSACASA-N -1 1 319.369 0.820 20 0 DCADMM CCOC(=O)c1c[nH]c(NC(=O)Cn2ccc(C(=O)[O-])n2)n1 ZINC001605579920 1169963928 /nfs/dbraw/zinc/96/39/28/1169963928.db2.gz MRIBJGNNHUWPOW-UHFFFAOYSA-N -1 1 307.266 0.120 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccc(CC(N)=O)cc2)n1 ZINC001605582369 1169966433 /nfs/dbraw/zinc/96/64/33/1169966433.db2.gz RJZWXCQAGDDLNC-UHFFFAOYSA-N -1 1 324.348 0.605 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccc(CC(N)=O)cc2)n1 ZINC001605582369 1169966438 /nfs/dbraw/zinc/96/64/38/1169966438.db2.gz RJZWXCQAGDDLNC-UHFFFAOYSA-N -1 1 324.348 0.605 20 0 DCADMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2CC(N)=O ZINC001605667454 1169984112 /nfs/dbraw/zinc/98/41/12/1169984112.db2.gz RMHLUCUYOROZNZ-UHFFFAOYSA-N -1 1 318.724 0.629 20 0 DCADMM Cc1cc(N2CCN(c3nccnn3)CC2)cc(-c2nnn[n-]2)n1 ZINC001605699376 1169986794 /nfs/dbraw/zinc/98/67/94/1169986794.db2.gz DZBJFDPVYKQNFJ-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1cc(N2CCN(c3nccnn3)CC2)cc(-c2nn[n-]n2)n1 ZINC001605699376 1169986804 /nfs/dbraw/zinc/98/68/04/1169986804.db2.gz DZBJFDPVYKQNFJ-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1cc(NC(=O)CN(C)c2cncc(-c3nnn[n-]3)n2)no1 ZINC001605706687 1169989427 /nfs/dbraw/zinc/98/94/27/1169989427.db2.gz KPPWCXVHOFNTFV-UHFFFAOYSA-N -1 1 315.297 0.028 20 0 DCADMM Cc1cc(NC(=O)CN(C)c2cncc(-c3nn[n-]n3)n2)no1 ZINC001605706687 1169989434 /nfs/dbraw/zinc/98/94/34/1169989434.db2.gz KPPWCXVHOFNTFV-UHFFFAOYSA-N -1 1 315.297 0.028 20 0 DCADMM CCS(=O)(=O)CCN1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC001605726894 1169994450 /nfs/dbraw/zinc/99/44/50/1169994450.db2.gz RFXRFMYJGSMGOL-AVGNSLFASA-N -1 1 319.423 0.765 20 0 DCADMM CCc1cc(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)n[nH]1 ZINC001605798795 1170004937 /nfs/dbraw/zinc/00/49/37/1170004937.db2.gz 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ZINC001605871958 1170018294 /nfs/dbraw/zinc/01/82/94/1170018294.db2.gz OWUKHFBCSKVJCI-NXEZZACHSA-N -1 1 322.394 0.948 20 0 DCADMM CCc1noc(CCCC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])n1 ZINC001605877640 1170020000 /nfs/dbraw/zinc/02/00/00/1170020000.db2.gz PKRIANOOSXOQOS-SNVBAGLBSA-N -1 1 321.337 0.490 20 0 DCADMM Cc1ccccc1[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001605936317 1170030015 /nfs/dbraw/zinc/03/00/15/1170030015.db2.gz MSENZEGUWVAXNY-JTQLQIEISA-N -1 1 312.337 0.644 20 0 DCADMM Cc1ccn([C@H](C)CC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)n1 ZINC001605947656 1170031426 /nfs/dbraw/zinc/03/14/26/1170031426.db2.gz BZVORQXCBWEYHP-MRVPVSSYSA-N -1 1 315.341 0.993 20 0 DCADMM Cc1ccncc1N(C)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001605961536 1170038085 /nfs/dbraw/zinc/03/80/85/1170038085.db2.gz PQTYDAUEIVGRDZ-SECBINFHSA-N -1 1 313.325 0.386 20 0 DCADMM Cc1nc(-c2nn[n-]n2)c(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)o1 ZINC001606020492 1170053071 /nfs/dbraw/zinc/05/30/71/1170053071.db2.gz YQMIGALQZLTODI-JGVFFNPUSA-N -1 1 315.293 0.123 20 0 DCADMM CN(C)CCNS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001606028043 1170056081 /nfs/dbraw/zinc/05/60/81/1170056081.db2.gz NSLTYBXTOJZWDW-UHFFFAOYSA-N -1 1 314.407 0.889 20 0 DCADMM Cc1nc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cs1 ZINC001606044009 1170064816 /nfs/dbraw/zinc/06/48/16/1170064816.db2.gz KXZWOHVDZYAXMZ-LURJTMIESA-N -1 1 320.338 0.528 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnc(Cl)cn2)c1-c1nnn[n-]1 ZINC001606112663 1170079256 /nfs/dbraw/zinc/07/92/56/1170079256.db2.gz MUQVRJBRUQWOOM-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnc(Cl)cn2)c1-c1nn[n-]n1 ZINC001606112663 1170079262 /nfs/dbraw/zinc/07/92/62/1170079262.db2.gz MUQVRJBRUQWOOM-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1nn(C)cc1CCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606115051 1170081139 /nfs/dbraw/zinc/08/11/39/1170081139.db2.gz JXPWVFPRKDFPTH-UHFFFAOYSA-N -1 1 312.337 0.875 20 0 DCADMM Cc1nn(C)cc1CCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606115051 1170081150 /nfs/dbraw/zinc/08/11/50/1170081150.db2.gz JXPWVFPRKDFPTH-UHFFFAOYSA-N -1 1 312.337 0.875 20 0 DCADMM Cc1nsc(N(C)C(=O)c2cccnn2)c1-c1nnn[n-]1 ZINC001606139531 1170092138 /nfs/dbraw/zinc/09/21/38/1170092138.db2.gz OUCMDHYTMWQIFU-UHFFFAOYSA-N -1 1 302.323 0.698 20 0 DCADMM Cc1nsc(N(C)C(=O)c2cccnn2)c1-c1nn[n-]n1 ZINC001606139531 1170092146 /nfs/dbraw/zinc/09/21/46/1170092146.db2.gz OUCMDHYTMWQIFU-UHFFFAOYSA-N -1 1 302.323 0.698 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H](C)C[C@H](CO)C1 ZINC001606166353 1170098584 /nfs/dbraw/zinc/09/85/84/1170098584.db2.gz QIZZYFPIIHBFGC-SCZZXKLOSA-N -1 1 305.338 0.859 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H](C)C[C@H](CO)C1 ZINC001606166353 1170098596 /nfs/dbraw/zinc/09/85/96/1170098596.db2.gz QIZZYFPIIHBFGC-SCZZXKLOSA-N -1 1 305.338 0.859 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](CO)C[C@H]1CCCO1 ZINC001606167634 1170099465 /nfs/dbraw/zinc/09/94/65/1170099465.db2.gz RXNAQHUPAPVFFL-VHSXEESVSA-N -1 1 321.337 0.428 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](CO)C[C@H]1CCCO1 ZINC001606167634 1170099471 /nfs/dbraw/zinc/09/94/71/1170099471.db2.gz RXNAQHUPAPVFFL-VHSXEESVSA-N -1 1 321.337 0.428 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@]1(C)CCN(C)C1=O ZINC001606169801 1170101965 /nfs/dbraw/zinc/10/19/65/1170101965.db2.gz SABCIPLAQOWFHG-AWEZNQCLSA-N -1 1 319.321 0.793 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@]1(C)CCN(C)C1=O ZINC001606169801 1170101970 /nfs/dbraw/zinc/10/19/70/1170101970.db2.gz SABCIPLAQOWFHG-AWEZNQCLSA-N -1 1 319.321 0.793 20 0 DCADMM CN([C@H]1CCCN(C)C1)S(=O)(=O)CCCCCC(=O)[O-] ZINC001606221464 1170119674 /nfs/dbraw/zinc/11/96/74/1170119674.db2.gz LMHRBPCSRHDWMB-LBPRGKRZSA-N -1 1 306.428 0.987 20 0 DCADMM CN1CCC[C@H]1C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001606230117 1170127503 /nfs/dbraw/zinc/12/75/03/1170127503.db2.gz RFMGLVMXFVBZKR-ZDUSSCGKSA-N -1 1 315.333 0.998 20 0 DCADMM CN1CCN(C(=O)COCc2ocnc2C(=O)[O-])C(C)(C)C1 ZINC001606233651 1170128837 /nfs/dbraw/zinc/12/88/37/1170128837.db2.gz WWRAVWDKMSKDKN-UHFFFAOYSA-N -1 1 311.338 0.442 20 0 DCADMM CN1CCN(C(=O)CSCc2cccnc2)C[C@H](C(=O)[O-])C1 ZINC001606233172 1170129253 /nfs/dbraw/zinc/12/92/53/1170129253.db2.gz HRZCWHDTQWQTLJ-CYBMUJFWSA-N -1 1 323.418 0.790 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)C(F)=C2CCC2)CC1 ZINC001606240737 1170131967 /nfs/dbraw/zinc/13/19/67/1170131967.db2.gz FRDNQTHPKQFUHM-UHFFFAOYSA-N -1 1 313.373 0.555 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)CCn2cccc2)CC1 ZINC001606241738 1170132932 /nfs/dbraw/zinc/13/29/32/1170132932.db2.gz NYZNOYODPQBKDL-UHFFFAOYSA-N -1 1 322.409 0.039 20 0 DCADMM Cn1cncc1CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001606264841 1170140406 /nfs/dbraw/zinc/14/04/06/1170140406.db2.gz AYQICNDTILRTOV-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1cncc1CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001606264841 1170140411 /nfs/dbraw/zinc/14/04/11/1170140411.db2.gz AYQICNDTILRTOV-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM COC(=O)C(C)(C)n1ccc(NS(=O)(=O)CCC(=O)[O-])n1 ZINC001606318794 1170157765 /nfs/dbraw/zinc/15/77/65/1170157765.db2.gz QMOXIOHUQZVNBJ-UHFFFAOYSA-N -1 1 319.339 0.008 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CCC1OCCCO1 ZINC001606387348 1170177941 /nfs/dbraw/zinc/17/79/41/1170177941.db2.gz UBDRFDUDFQTNHN-QWRGUYRKSA-N -1 1 301.339 0.478 20 0 DCADMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001606410463 1170189765 /nfs/dbraw/zinc/18/97/65/1170189765.db2.gz REFJOJDVXBQLSR-DTWKUNHWSA-N -1 1 320.378 0.702 20 0 DCADMM NC(=O)CCCC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606413242 1170191125 /nfs/dbraw/zinc/19/11/25/1170191125.db2.gz VWESIDZZNDFYKX-UHFFFAOYSA-N -1 1 324.291 0.417 20 0 DCADMM NC(=O)CCCC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606413242 1170191128 /nfs/dbraw/zinc/19/11/28/1170191128.db2.gz VWESIDZZNDFYKX-UHFFFAOYSA-N -1 1 324.291 0.417 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2scnc2c1 ZINC001606446396 1170206767 /nfs/dbraw/zinc/20/67/67/1170206767.db2.gz NNWSERQZRUJKSD-UHFFFAOYSA-N -1 1 312.318 0.944 20 0 DCADMM O=C(C1CC1)N1CCN(Cc2csc(-c3nn[n-]n3)c2)CC1 ZINC001606467611 1170215539 /nfs/dbraw/zinc/21/55/39/1170215539.db2.gz WFFOTVLXJCGHEG-UHFFFAOYSA-N -1 1 318.406 0.982 20 0 DCADMM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc2[nH]nnc2c1 ZINC001606505431 1170222073 /nfs/dbraw/zinc/22/20/73/1170222073.db2.gz QDJJWFYKJHHQLN-SECBINFHSA-N -1 1 306.278 0.094 20 0 DCADMM COC(=O)c1cc(NC(=O)N2CCNCC2)cc(C(=O)[O-])c1 ZINC001606553690 1170233586 /nfs/dbraw/zinc/23/35/86/1170233586.db2.gz RIJPAVVQXKLYFL-UHFFFAOYSA-N -1 1 307.306 0.609 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@@H]1CC[C@H](O)C1 ZINC001606594781 1170239205 /nfs/dbraw/zinc/23/92/05/1170239205.db2.gz MDVPUNQPTLZWJZ-KOLCDFICSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@@H]1CC[C@H](O)C1 ZINC001606594781 1170239210 /nfs/dbraw/zinc/23/92/10/1170239210.db2.gz MDVPUNQPTLZWJZ-KOLCDFICSA-N -1 1 302.338 0.081 20 0 DCADMM COC(=O)c1ccoc1S(=O)(=O)N[C@@H](CCF)C(=O)[O-] ZINC001606622919 1170239268 /nfs/dbraw/zinc/23/92/68/1170239268.db2.gz 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/nfs/dbraw/zinc/24/66/63/1170246663.db2.gz XMYKPBZJMUCZPI-UHFFFAOYSA-N -1 1 309.293 0.578 20 0 DCADMM CO[C@]1(C(=O)[O-])CCN(CC(=O)N2CCc3ccccc3C2)C1 ZINC001606704214 1170267272 /nfs/dbraw/zinc/26/72/72/1170267272.db2.gz WBRLCEABYSWCEU-QGZVFWFLSA-N -1 1 318.373 0.747 20 0 DCADMM CO[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC001606703406 1170268015 /nfs/dbraw/zinc/26/80/15/1170268015.db2.gz OVGIEFBPHWTLGQ-HNNXBMFYSA-N -1 1 308.334 0.410 20 0 DCADMM CO[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)[C@H](C(=O)[O-])C1 ZINC001606750506 1170277978 /nfs/dbraw/zinc/27/79/78/1170277978.db2.gz LMDWOWGSFFYHBU-BREBYQMCSA-N -1 1 307.350 0.605 20 0 DCADMM O=C(NCCC[C@@H]1CCOC1=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606765604 1170282266 /nfs/dbraw/zinc/28/22/66/1170282266.db2.gz FJIBVWHTEKKZPU-SECBINFHSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(NCCC[C@@H]1CCOC1=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606765604 1170282272 /nfs/dbraw/zinc/28/22/72/1170282272.db2.gz FJIBVWHTEKKZPU-SECBINFHSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1cccc(F)c1F ZINC001606802203 1170294753 /nfs/dbraw/zinc/29/47/53/1170294753.db2.gz IGHLLLGUOLLIFS-UHFFFAOYSA-N -1 1 320.263 0.166 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc[n+]([O-])c1 ZINC001606830403 1170304289 /nfs/dbraw/zinc/30/42/89/1170304289.db2.gz CFPAOIGFIFPRPS-UHFFFAOYSA-N -1 1 302.319 0.492 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cn2c(n1)CCC2 ZINC001606897566 1170325801 /nfs/dbraw/zinc/32/58/01/1170325801.db2.gz OHXWHZRMJVOLRW-UHFFFAOYSA-N -1 1 311.305 0.967 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N1CCC[C@@H](F)C1 ZINC001606934155 1170334122 /nfs/dbraw/zinc/33/41/22/1170334122.db2.gz WAXPRNPQUGCUPN-MRVPVSSYSA-N -1 1 319.300 0.161 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N1CCC[C@@H](F)C1 ZINC001606934155 1170334126 /nfs/dbraw/zinc/33/41/26/1170334126.db2.gz WAXPRNPQUGCUPN-MRVPVSSYSA-N -1 1 319.300 0.161 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ncnc2sccc21 ZINC001606946314 1170335962 /nfs/dbraw/zinc/33/59/62/1170335962.db2.gz 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Cc1cc(-c2nn[n-]n2)nc(N[C@@H](c2nncn2C)C(C)C)n1 ZINC001609392372 1170962618 /nfs/dbraw/zinc/96/26/18/1170962618.db2.gz NSDZQYTXDDWLPC-SNVBAGLBSA-N -1 1 314.357 0.903 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCC(CO)CC2)n1 ZINC001609391521 1170963016 /nfs/dbraw/zinc/96/30/16/1170963016.db2.gz MCMRIBMZSGIUPY-UHFFFAOYSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCC(CO)CC2)n1 ZINC001609391521 1170963021 /nfs/dbraw/zinc/96/30/21/1170963021.db2.gz MCMRIBMZSGIUPY-UHFFFAOYSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](Nc3ncccn3)C2)n1 ZINC001609391564 1170963117 /nfs/dbraw/zinc/96/31/17/1170963117.db2.gz NRKCNEMWTMDDBO-JTQLQIEISA-N -1 1 324.352 0.446 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](Nc3ncccn3)C2)n1 ZINC001609391564 1170963123 /nfs/dbraw/zinc/96/31/23/1170963123.db2.gz NRKCNEMWTMDDBO-JTQLQIEISA-N -1 1 324.352 0.446 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001609417025 1170971618 /nfs/dbraw/zinc/97/16/18/1170971618.db2.gz GULANHIWMBROKH-JTQLQIEISA-N -1 1 313.365 0.993 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)Cc2ccc(C)nc2)nn1C ZINC001609421834 1170973861 /nfs/dbraw/zinc/97/38/61/1170973861.db2.gz CYRBDUWQWOPQMB-UHFFFAOYSA-N -1 1 312.337 0.793 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)Cc2ccc(C)nc2)nn1C ZINC001609421834 1170973864 /nfs/dbraw/zinc/97/38/64/1170973864.db2.gz CYRBDUWQWOPQMB-UHFFFAOYSA-N -1 1 312.337 0.793 20 0 DCADMM Cc1ccccc1CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609436440 1170977029 /nfs/dbraw/zinc/97/70/29/1170977029.db2.gz POTYYABOHUAEOL-SNVBAGLBSA-N -1 1 312.337 0.644 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2nnn(C)n2)n1 ZINC001609449251 1170981648 /nfs/dbraw/zinc/98/16/48/1170981648.db2.gz UNCPJBKTHPULPG-UHFFFAOYSA-N -1 1 304.343 0.089 20 0 DCADMM Cc1ncsc1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609457809 1170985344 /nfs/dbraw/zinc/98/53/44/1170985344.db2.gz ZDRAMDAOLJNXES-ZCFIWIBFSA-N -1 1 305.327 0.423 20 0 DCADMM Cc1nn(Cc2cn(C(C)C)nn2)c(=O)c(-c2nn[n-]n2)c1C ZINC001609459829 1170985412 /nfs/dbraw/zinc/98/54/12/1170985412.db2.gz XUOOIPXWHOLHKD-UHFFFAOYSA-N -1 1 315.341 0.261 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCSC2)c1-c1nnn[n-]1 ZINC001609470948 1170990710 /nfs/dbraw/zinc/99/07/10/1170990710.db2.gz GEYWTPLLZJAIRB-MRVPVSSYSA-N -1 1 308.367 0.575 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(CCO)CCCC2)n1 ZINC001609477315 1170991355 /nfs/dbraw/zinc/99/13/55/1170991355.db2.gz NQKOGQXZULYGOE-UHFFFAOYSA-N -1 1 320.357 0.417 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(CCO)CCCC2)n1 ZINC001609477315 1170991358 /nfs/dbraw/zinc/99/13/58/1170991358.db2.gz NQKOGQXZULYGOE-UHFFFAOYSA-N -1 1 320.357 0.417 20 0 DCADMM NC(=O)[C@H]1CCCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001609501988 1171000297 /nfs/dbraw/zinc/00/02/97/1171000297.db2.gz CNGXSDZZIZKWER-QMMMGPOBSA-N -1 1 318.312 0.343 20 0 DCADMM NC(=O)[C@H]1CCCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001609501988 1171000307 /nfs/dbraw/zinc/00/03/07/1171000307.db2.gz CNGXSDZZIZKWER-QMMMGPOBSA-N -1 1 318.312 0.343 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nnn[n-]2)n1)c1cnccn1 ZINC001609530034 1171010907 /nfs/dbraw/zinc/01/09/07/1171010907.db2.gz IHBWCANWBVVBSD-UHFFFAOYSA-N -1 1 311.261 0.091 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nn[n-]n2)n1)c1cnccn1 ZINC001609530034 1171010914 /nfs/dbraw/zinc/01/09/14/1171010914.db2.gz IHBWCANWBVVBSD-UHFFFAOYSA-N -1 1 311.261 0.091 20 0 DCADMM O=C(NC1CC1)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609540091 1171014939 /nfs/dbraw/zinc/01/49/39/1171014939.db2.gz MWSTXDHSNQYPGL-JTQLQIEISA-N -1 1 313.365 0.757 20 0 DCADMM O=C(NC1CC1)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609540091 1171014947 /nfs/dbraw/zinc/01/49/47/1171014947.db2.gz MWSTXDHSNQYPGL-JTQLQIEISA-N -1 1 313.365 0.757 20 0 DCADMM O=C(NC1CC1)[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609540150 1171015531 /nfs/dbraw/zinc/01/55/31/1171015531.db2.gz QBORXTDBDVDYLZ-VIFPVBQESA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC1CC1)[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609540150 1171015537 /nfs/dbraw/zinc/01/55/37/1171015537.db2.gz QBORXTDBDVDYLZ-VIFPVBQESA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1CC[C@H](CO)CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609560684 1171021413 /nfs/dbraw/zinc/02/14/13/1171021413.db2.gz BWBXQRFXCYTXKE-HOMQSWHASA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CC[C@H](CO)CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609560684 1171021420 /nfs/dbraw/zinc/02/14/20/1171021420.db2.gz BWBXQRFXCYTXKE-HOMQSWHASA-N -1 1 302.338 0.543 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@@](F)(CO)C1 ZINC001609567195 1171023325 /nfs/dbraw/zinc/02/33/25/1171023325.db2.gz VVVCPSDHGYNCAM-LBPRGKRZSA-N -1 1 307.289 0.200 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@@](F)(CO)C1 ZINC001609567195 1171023333 /nfs/dbraw/zinc/02/33/33/1171023333.db2.gz VVVCPSDHGYNCAM-LBPRGKRZSA-N -1 1 307.289 0.200 20 0 DCADMM O=C(OC1CN(CC(F)F)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001609573485 1171025236 /nfs/dbraw/zinc/02/52/36/1171025236.db2.gz CMHHWUHNQRBYLK-UHFFFAOYSA-N -1 1 310.264 0.368 20 0 DCADMM O=C(OC1CN(CC(F)F)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001609573485 1171025241 /nfs/dbraw/zinc/02/52/41/1171025241.db2.gz CMHHWUHNQRBYLK-UHFFFAOYSA-N -1 1 310.264 0.368 20 0 DCADMM O=S1(=O)CCCC[C@H]1CNc1cccnc1-c1nnn[n-]1 ZINC001609598707 1171036903 /nfs/dbraw/zinc/03/69/03/1171036903.db2.gz OEGXPDCUQOIPDS-VIFPVBQESA-N -1 1 308.367 0.641 20 0 DCADMM O=S1(=O)CCCC[C@H]1CNc1cccnc1-c1nn[n-]n1 ZINC001609598707 1171036911 /nfs/dbraw/zinc/03/69/11/1171036911.db2.gz OEGXPDCUQOIPDS-VIFPVBQESA-N -1 1 308.367 0.641 20 0 DCADMM O[C@@H]1C[C@@H]([C@@H]2CCCOC2)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001609608114 1171041467 /nfs/dbraw/zinc/04/14/67/1171041467.db2.gz WMDLBUUHHWVDMM-FOGDFJRCSA-N -1 1 317.353 0.023 20 0 DCADMM O[C@@H]1C[C@@H]([C@@H]2CCCOC2)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609608114 1171041473 /nfs/dbraw/zinc/04/14/73/1171041473.db2.gz WMDLBUUHHWVDMM-FOGDFJRCSA-N -1 1 317.353 0.023 20 0 DCADMM OC[C@@H]([C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)C1CC1 ZINC001609608423 1171041487 /nfs/dbraw/zinc/04/14/87/1171041487.db2.gz JTZZWGSGFNOUCI-MFKMUULPSA-N -1 1 301.354 0.866 20 0 DCADMM OC[C@@H]([C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)C1CC1 ZINC001609608423 1171041494 /nfs/dbraw/zinc/04/14/94/1171041494.db2.gz JTZZWGSGFNOUCI-MFKMUULPSA-N -1 1 301.354 0.866 20 0 DCADMM c1nc(N2CCOC3(CCOCC3)CC2)cnc1-c1nnn[n-]1 ZINC001609620716 1171051282 /nfs/dbraw/zinc/05/12/82/1171051282.db2.gz BCARHVUTTLIWBP-UHFFFAOYSA-N -1 1 317.353 0.433 20 0 DCADMM c1nc(N2CCOC3(CCOCC3)CC2)cnc1-c1nn[n-]n1 ZINC001609620716 1171051290 /nfs/dbraw/zinc/05/12/90/1171051290.db2.gz BCARHVUTTLIWBP-UHFFFAOYSA-N -1 1 317.353 0.433 20 0 DCADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccc(Cl)nn2)CC1 ZINC001609651203 1171061484 /nfs/dbraw/zinc/06/14/84/1171061484.db2.gz WJEAFEYXOCXYMS-UHFFFAOYSA-N -1 1 312.757 0.751 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 ZINC001609734741 1171076076 /nfs/dbraw/zinc/07/60/76/1171076076.db2.gz MHPGFHKAMHXOML-NEPJUHHUSA-N -1 1 311.382 0.053 20 0 DCADMM C[C@](CNC(=O)C[C@@H]1COCCN1)(C(=O)[O-])c1ccccc1 ZINC001609744798 1171077322 /nfs/dbraw/zinc/07/73/22/1171077322.db2.gz YWNDKIAMVMNNPZ-CZUORRHYSA-N -1 1 306.362 0.524 20 0 DCADMM C[C@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ncnn1C ZINC001609765239 1171080991 /nfs/dbraw/zinc/08/09/91/1171080991.db2.gz NVBJGJQXIPKHJT-MNOVXSKESA-N -1 1 324.385 0.067 20 0 DCADMM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C[C@](C)(O)C(=O)[O-] ZINC001609864146 1171108320 /nfs/dbraw/zinc/10/83/20/1171108320.db2.gz LPCWPLXEDXJHRX-RWSFTLGLSA-N -1 1 300.399 0.789 20 0 DCADMM CC[C@@](COC)(NC(=O)CN(C)[C@H]1CCSC1)C(=O)[O-] ZINC001609922112 1171122940 /nfs/dbraw/zinc/12/29/40/1171122940.db2.gz NFTYRPVFRGFYIJ-GWCFXTLKSA-N -1 1 304.412 0.420 20 0 DCADMM CCO[C@@H]1C[C@](NC(=O)C[C@@H]2COCCN2)(C(=O)[O-])C1(C)C ZINC001610028713 1171142339 /nfs/dbraw/zinc/14/23/39/1171142339.db2.gz CXAPPLRZZBEGCJ-HFAKWTLXSA-N -1 1 314.382 0.140 20 0 DCADMM CN(C)C(=O)[C@H](c1ccccc1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001610094601 1171155054 /nfs/dbraw/zinc/15/50/54/1171155054.db2.gz ZGRWTXNWVMERFE-LSDHHAIUSA-N -1 1 320.389 0.973 20 0 DCADMM CN(CC(=O)NC1(CC(=O)[O-])CCOCC1)[C@@H]1CCSC1 ZINC001610108970 1171159250 /nfs/dbraw/zinc/15/92/50/1171159250.db2.gz LAAKSUXAEKODIO-LLVKDONJSA-N -1 1 316.423 0.564 20 0 DCADMM CNS(=O)(=O)CCCNC(C)(C)c1nocc1C(=O)[O-] ZINC001610147296 1171177082 /nfs/dbraw/zinc/17/70/82/1171177082.db2.gz OAKHZCPORIFWTG-UHFFFAOYSA-N -1 1 305.356 0.137 20 0 DCADMM COC(=O)c1cn(CCNCc2cc(C(=O)[O-])c(C)o2)nn1 ZINC001610218424 1171198320 /nfs/dbraw/zinc/19/83/20/1171198320.db2.gz RTVKTZNBOWFRIL-UHFFFAOYSA-N -1 1 308.294 0.454 20 0 DCADMM Cc1[nH]ncc1CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001610549271 1171251521 /nfs/dbraw/zinc/25/15/21/1171251521.db2.gz BKVAXSBOEVVNJU-UHFFFAOYSA-N -1 1 316.317 0.980 20 0 DCADMM Cc1nnccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001610573884 1171257603 /nfs/dbraw/zinc/25/76/03/1171257603.db2.gz FLFQHQKLFVNUSF-JTQLQIEISA-N -1 1 307.354 0.798 20 0 DCADMM O=C([O-])[C@H](NCC(=O)N1CCN(Cc2ccco2)CC1)C1CC1 ZINC001610718180 1171297542 /nfs/dbraw/zinc/29/75/42/1171297542.db2.gz NJASYYZRDFADGE-OAHLLOKOSA-N -1 1 321.377 0.377 20 0 DCADMM O=C([O-])[C@H](O)C1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC001610722863 1171298356 /nfs/dbraw/zinc/29/83/56/1171298356.db2.gz DPCPROJDLAJYRR-GFCCVEGCSA-N -1 1 303.309 0.806 20 0 DCADMM O=C([O-])Cn1cc(CN[C@@H](CCO)Cc2ccccc2)nn1 ZINC001610800462 1171329127 /nfs/dbraw/zinc/32/91/27/1171329127.db2.gz SFGHCUGHLOVIST-ZDUSSCGKSA-N -1 1 304.350 0.446 20 0 DCADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1N)c1ccnn1C ZINC001622278621 1171421617 /nfs/dbraw/zinc/42/16/17/1171421617.db2.gz CSKWZICXILTKKR-GFCCVEGCSA-N -1 1 324.362 0.195 20 0 DCADMM Cn1cnnc1-c1cccc(NC(=O)CCCc2nn[n-]n2)c1 ZINC001625447331 1171472270 /nfs/dbraw/zinc/47/22/70/1171472270.db2.gz SQUCOOMTRSYPTE-UHFFFAOYSA-N -1 1 312.337 0.957 20 0 DCADMM CCC[C@H](NC(=O)Cn1nc(C)c2cccnc21)c1nn[n-]n1 ZINC001629477279 1171550158 /nfs/dbraw/zinc/55/01/58/1171550158.db2.gz WPPMYQOTCCSEAQ-NSHDSACASA-N -1 1 314.353 0.910 20 0 DCADMM NC(=O)c1cn(CCCCNC(=O)c2ccc(F)c([O-])c2)nn1 ZINC001629770735 1171558582 /nfs/dbraw/zinc/55/85/82/1171558582.db2.gz XLENWRVXRHXLGF-UHFFFAOYSA-N -1 1 321.312 0.432 20 0 DCADMM O=C(CCCOC1CCOCC1)NCc1nc([O-])cc(=O)[nH]1 ZINC001630647284 1171577674 /nfs/dbraw/zinc/57/76/74/1171577674.db2.gz UQIMRFPURQOVQQ-UHFFFAOYSA-N -1 1 311.338 0.480 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1nc2ncccn2n1 ZINC001630783952 1171580013 /nfs/dbraw/zinc/58/00/13/1171580013.db2.gz VNHAFSIQCYIEFW-SNVBAGLBSA-N -1 1 321.304 0.157 20 0 DCADMM Cn1ccc(-c2cc(C(=O)[N-]n3ccc(=O)[nH]c3=O)n[nH]2)c1 ZINC001630863092 1171584055 /nfs/dbraw/zinc/58/40/55/1171584055.db2.gz WUDFAGMZCRZIGC-UHFFFAOYSA-N -1 1 300.278 0.061 20 0 DCADMM O=C(NCc1nn[n-]n1)c1c(C(F)(F)F)nc2ccccn21 ZINC001632593580 1171620656 /nfs/dbraw/zinc/62/06/56/1171620656.db2.gz UCQODDIGOFFYOR-UHFFFAOYSA-N -1 1 311.227 0.796 20 0 DCADMM Nc1c(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cnn1-c1ccccc1 ZINC001632986808 1171628912 /nfs/dbraw/zinc/62/89/12/1171628912.db2.gz STCHUSCOFBCWTH-SNVBAGLBSA-N -1 1 324.348 0.597 20 0 DCADMM 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C[C@@H](CN(C)C(=O)c1cccc(F)c1)NCc1n[nH]c(=O)[n-]1 ZINC001382073842 966917404 /nfs/dbraw/zinc/91/74/04/966917404.db2.gz VIYWPNGKPNDDLB-VIFPVBQESA-N -1 1 307.329 0.900 20 0 DCADMM COc1ccnc(C(=O)N(C)C[C@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001382126788 966962012 /nfs/dbraw/zinc/96/20/12/966962012.db2.gz WSYGXZBFDLSQGX-VIFPVBQESA-N -1 1 320.353 0.164 20 0 DCADMM Cc1ncc(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C(C)(C)C)[nH]1 ZINC001382520800 967463865 /nfs/dbraw/zinc/46/38/65/967463865.db2.gz IHZXSIOFCQWOGR-SNVBAGLBSA-N -1 1 321.385 0.476 20 0 DCADMM Cc1noc([C@@H](C)N(C)CCNC(=O)c2ncccc2[O-])n1 ZINC001371949550 967479318 /nfs/dbraw/zinc/47/93/18/967479318.db2.gz AIYYUZXTGOTOTO-SECBINFHSA-N -1 1 305.338 0.901 20 0 DCADMM CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NCC(=O)[O-] ZINC001605389003 1169910110 /nfs/dbraw/zinc/91/01/10/1169910110.db2.gz WMSPABZDRZMNNI-GFCCVEGCSA-N -1 1 310.398 0.747 20 0 DCADMM C[C@@H](O)[C@H]1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001372188332 967729190 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ZINC001603714174 974122029 /nfs/dbraw/zinc/12/20/29/974122029.db2.gz CATKDOHFTVAYEC-GFCCVEGCSA-N -1 1 320.393 0.769 20 0 DCADMM CCN1CC[C@@H](N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)C1=O ZINC001603760076 974200705 /nfs/dbraw/zinc/20/07/05/974200705.db2.gz ABMZFZDUNPBBFG-WCQYABFASA-N -1 1 323.393 0.005 20 0 DCADMM CCOC(=O)c1cnn(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC001603818598 974298371 /nfs/dbraw/zinc/29/83/71/974298371.db2.gz GDWAJQZIZLORAD-BXUZGUMPSA-N -1 1 309.322 0.050 20 0 DCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)CCC1CCOCC1 ZINC001604067522 974604150 /nfs/dbraw/zinc/60/41/50/974604150.db2.gz XESFEZPQQYEMPZ-UHFFFAOYSA-N -1 1 322.427 0.081 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000701026388 976994583 /nfs/dbraw/zinc/99/45/83/976994583.db2.gz OYLMCHJQPDDNFB-DOACCVQLSA-N -1 1 304.324 0.463 20 0 DCADMM C[C@@](CC(=O)[O-])(NC(=O)CCc1c[nH]nn1)c1cccnc1 ZINC001592282075 977582422 /nfs/dbraw/zinc/58/24/22/977582422.db2.gz CUILPKSHTPNXQR-AWEZNQCLSA-N -1 1 303.322 0.639 20 0 DCADMM C[C@@](CC(=O)[O-])(NC(=O)CCc1cnn[nH]1)c1cccnc1 ZINC001592282075 977582433 /nfs/dbraw/zinc/58/24/33/977582433.db2.gz CUILPKSHTPNXQR-AWEZNQCLSA-N -1 1 303.322 0.639 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)CC1(O)CCC1 ZINC001449351376 1014432491 /nfs/dbraw/zinc/43/24/91/1014432491.db2.gz MUCOPDMGKDWPJY-UHFFFAOYSA-N -1 1 321.377 0.671 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(C3CC3)nn2C)CC1 ZINC001592415836 978014866 /nfs/dbraw/zinc/01/48/66/978014866.db2.gz PZHAUSMIFNVTGN-NSHDSACASA-N -1 1 320.393 0.919 20 0 DCADMM CC(=O)N[C@@H](CSC[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC000719955486 978017287 /nfs/dbraw/zinc/01/72/87/978017287.db2.gz DABNOPOKZYKPLY-JQWIXIFHSA-N -1 1 304.412 0.277 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cnn(CCF)c2)CC1 ZINC001592418279 978021365 /nfs/dbraw/zinc/02/13/65/978021365.db2.gz INYWHLOCHPLBIH-NSHDSACASA-N -1 1 312.345 0.474 20 0 DCADMM COc1cc(C(=O)NCCCNC(=O)c2ncccc2[O-])on1 ZINC001522883686 1014451914 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CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)COC1CC1 ZINC001434372777 1009853603 /nfs/dbraw/zinc/85/36/03/1009853603.db2.gz NJJUDOPOSBPUHJ-JTQLQIEISA-N -1 1 308.338 0.824 20 0 DCADMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)COC1CC1 ZINC001434372777 1009853622 /nfs/dbraw/zinc/85/36/22/1009853622.db2.gz NJJUDOPOSBPUHJ-JTQLQIEISA-N -1 1 308.338 0.824 20 0 DCADMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)COC1CC1 ZINC001434372777 1009853640 /nfs/dbraw/zinc/85/36/40/1009853640.db2.gz NJJUDOPOSBPUHJ-JTQLQIEISA-N -1 1 308.338 0.824 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)c1ccc(F)cc1 ZINC001422322791 1009871181 /nfs/dbraw/zinc/87/11/81/1009871181.db2.gz VEEAHHOGMNOXLZ-IUCAKERBSA-N -1 1 307.329 0.946 20 0 DCADMM COC(=O)[C@@H](F)CNC(=O)c1nc[n-]c(=O)c1Br ZINC001455716465 1009924112 /nfs/dbraw/zinc/92/41/12/1009924112.db2.gz ZUJPSSUNRSYOGN-BYPYZUCNSA-N -1 1 322.090 0.186 20 0 DCADMM COC[C@@H](NC(=O)c1cc(C)c(C(=O)OC)o1)c1nn[n-]n1 ZINC001455731570 1009936592 /nfs/dbraw/zinc/93/65/92/1009936592.db2.gz 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1010205164 /nfs/dbraw/zinc/20/51/64/1010205164.db2.gz HSENGOXSIQPIBY-NSHDSACASA-N -1 1 311.430 0.871 20 0 DCADMM Cn1[nH]c(C[N@@H+]2CC[C@@H](CCNC(=O)c3ccc[nH]3)C2)nc1=O ZINC001443204602 1010220007 /nfs/dbraw/zinc/22/00/07/1010220007.db2.gz UVSNUTLIOQUVHR-LLVKDONJSA-N -1 1 318.381 0.079 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C1CCC1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001422538794 1010263656 /nfs/dbraw/zinc/26/36/56/1010263656.db2.gz NNGFLABCXBZARD-LLVKDONJSA-N -1 1 323.441 0.871 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CCCC1(C)C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001422546514 1010277002 /nfs/dbraw/zinc/27/70/02/1010277002.db2.gz BPVYEEVEUKBBLO-RYUDHWBXSA-N -1 1 323.441 0.871 20 0 DCADMM CCOCn1nc(C)c(C[C@@H](C)C(=O)NCc2nn[n-]n2)c1C ZINC001443339031 1010345849 /nfs/dbraw/zinc/34/58/49/1010345849.db2.gz VGQQCMPVFAWBOH-SECBINFHSA-N -1 1 321.385 0.502 20 0 DCADMM O=C(c1ncoc1[C@@H]1CCCO1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001443446353 1010410601 /nfs/dbraw/zinc/41/06/01/1010410601.db2.gz ATOSXQKMIKWOPA-DTWKUNHWSA-N -1 1 320.309 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CCC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001431532551 1011373467 /nfs/dbraw/zinc/37/34/67/1011373467.db2.gz UGZBSCGKFYXARV-GRYCIOLGSA-N -1 1 321.377 0.430 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)[n-]n1 ZINC001423722064 1011451247 /nfs/dbraw/zinc/45/12/47/1011451247.db2.gz RFDYGLRHJLHIKS-BDAKNGLRSA-N -1 1 317.367 0.026 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)n[n-]1 ZINC001423722064 1011451255 /nfs/dbraw/zinc/45/12/55/1011451255.db2.gz RFDYGLRHJLHIKS-BDAKNGLRSA-N -1 1 317.367 0.026 20 0 DCADMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(OC)ns1)C1CC1 ZINC001423811479 1011595018 /nfs/dbraw/zinc/59/50/18/1011595018.db2.gz MJHBYMSJHFBSLG-QMMMGPOBSA-N -1 1 320.392 0.772 20 0 DCADMM C[C@@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])[C@@H]1CO ZINC001457320509 1011670447 /nfs/dbraw/zinc/67/04/47/1011670447.db2.gz SPWRICDPEQNFCS-GHMZBOCLSA-N -1 1 307.350 0.136 20 0 DCADMM O=C(NCCN(C(=O)c1cnon1)C1CC1)c1ncccc1[O-] ZINC001431869786 1011732741 /nfs/dbraw/zinc/73/27/41/1011732741.db2.gz QFBCQXZIBHNWBJ-UHFFFAOYSA-N -1 1 317.305 0.205 20 0 DCADMM O=C(Cn1cccn1)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001431992557 1011819144 /nfs/dbraw/zinc/81/91/44/1011819144.db2.gz FZUCOYBRDYCRJD-NSHDSACASA-N -1 1 315.333 0.015 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(CF)cc1 ZINC001445496442 1011828158 /nfs/dbraw/zinc/82/81/58/1011828158.db2.gz HUOSPIWUYALNQI-SECBINFHSA-N -1 1 307.329 0.888 20 0 DCADMM O=C(CNC(=O)N1CCc2ccccc2C1)Nc1c[n-][nH]c1=O ZINC001457819237 1011891463 /nfs/dbraw/zinc/89/14/63/1011891463.db2.gz DZKGHGKNTJNPMD-UHFFFAOYSA-N -1 1 315.333 0.822 20 0 DCADMM O=C(CNS(=O)(=O)c1cccc(F)c1)Nc1c[n-][nH]c1=O ZINC001457828833 1011895630 /nfs/dbraw/zinc/89/56/30/1011895630.db2.gz GADGCZCMQIIYCI-UHFFFAOYSA-N -1 1 314.298 0.171 20 0 DCADMM CO[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001445560630 1011931993 /nfs/dbraw/zinc/93/19/93/1011931993.db2.gz AXUXJWXQSQNCFG-GRYCIOLGSA-N -1 1 321.377 0.789 20 0 DCADMM COC(=O)c1c(NC(=O)[C@@H](C)n2cccc2)n[n-]c1OCCO ZINC001457888811 1011934179 /nfs/dbraw/zinc/93/41/79/1011934179.db2.gz WJZMEXHMCASNKZ-SECBINFHSA-N -1 1 322.321 0.569 20 0 DCADMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)[C@@H](C)n1cccc1 ZINC001457888811 1011934187 /nfs/dbraw/zinc/93/41/87/1011934187.db2.gz WJZMEXHMCASNKZ-SECBINFHSA-N -1 1 322.321 0.569 20 0 DCADMM CCN(C(C)=O)c1ccc(NC(=O)NN2CC(=O)[N-]C2=O)cn1 ZINC001563051161 1011965922 /nfs/dbraw/zinc/96/59/22/1011965922.db2.gz WDJNOPVNUUKKSE-UHFFFAOYSA-N -1 1 320.309 0.043 20 0 DCADMM CC[C@@H](C)CC(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001457971385 1012007445 /nfs/dbraw/zinc/00/74/45/1012007445.db2.gz PGLWLQSOKLVBEG-MNOVXSKESA-N -1 1 309.366 0.430 20 0 DCADMM O=C(NC[C@H](O)CNC(=O)[C@H]1CC12CCC2)c1ncccc1[O-] ZINC001457975690 1012010811 /nfs/dbraw/zinc/01/08/11/1012010811.db2.gz XCVLBRCDDBLKIR-GHMZBOCLSA-N -1 1 319.361 0.184 20 0 DCADMM COCC1(C(=O)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])CC1 ZINC001424132011 1012054993 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O=C(C(=O)N1CCN([C@H]2CCOC2)CC1)c1ccc([O-])cc1 ZINC000672992472 547433431 /nfs/dbraw/zinc/43/34/31/547433431.db2.gz CTGSUNUXXDRKDQ-ZDUSSCGKSA-N -1 1 304.346 0.508 20 0 DCADMM C[C@@H](CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccncc1 ZINC000676135195 547737934 /nfs/dbraw/zinc/73/79/34/547737934.db2.gz XPWDBATWLCFXGZ-QMMMGPOBSA-N -1 1 309.351 0.736 20 0 DCADMM C[C@@H](CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccncc1 ZINC000676135195 547737938 /nfs/dbraw/zinc/73/79/38/547737938.db2.gz XPWDBATWLCFXGZ-QMMMGPOBSA-N -1 1 309.351 0.736 20 0 DCADMM C[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000676213381 547744449 /nfs/dbraw/zinc/74/44/49/547744449.db2.gz NVMAPAANKHGLCA-OCCSQVGLSA-N -1 1 306.362 0.819 20 0 DCADMM Cc1nn2cccnc2c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677048085 547841829 /nfs/dbraw/zinc/84/18/29/547841829.db2.gz RZTSWPNXITXHTP-SNVBAGLBSA-N -1 1 312.337 0.571 20 0 DCADMM O=C(NCc1nn[n-]n1)[C@H]1COc2ccc(Br)cc21 ZINC000677547013 547887498 /nfs/dbraw/zinc/88/74/98/547887498.db2.gz NERINOCSFSQINU-QMMMGPOBSA-N -1 1 324.138 0.755 20 0 DCADMM Cc1cc(N2C[C@@H](C(=O)NCc3nn[n-]n3)CC2=O)ccc1F ZINC000679635997 548076007 /nfs/dbraw/zinc/07/60/07/548076007.db2.gz KPNMUBPOWDHNSS-VIFPVBQESA-N -1 1 318.312 0.317 20 0 DCADMM Cc1cc(N2C[C@H](C(=O)NCc3nn[n-]n3)CC2=O)ccc1F ZINC000679635996 548076135 /nfs/dbraw/zinc/07/61/35/548076135.db2.gz KPNMUBPOWDHNSS-SECBINFHSA-N -1 1 318.312 0.317 20 0 DCADMM COc1ccc(C[C@@H](C)C(=O)NCc2nn[n-]n2)cc1OC ZINC000679672841 548082574 /nfs/dbraw/zinc/08/25/74/548082574.db2.gz XFCKFNGMSNSICS-SECBINFHSA-N -1 1 305.338 0.712 20 0 DCADMM Cc1cc(F)ccc1-n1ccc(C(=O)NCc2nn[n-]n2)n1 ZINC000679998312 548111675 /nfs/dbraw/zinc/11/16/75/548111675.db2.gz HKNSAZKDTVQLQD-UHFFFAOYSA-N -1 1 301.285 0.763 20 0 DCADMM CC(=O)N[C@H]1Cc2ccccc2N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000680376189 548135390 /nfs/dbraw/zinc/13/53/90/548135390.db2.gz MBEQOYBCTSRKOX-LBPRGKRZSA-N -1 1 301.350 0.176 20 0 DCADMM COCC(=O)NC1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681019049 548193669 /nfs/dbraw/zinc/19/36/69/548193669.db2.gz GBZPLBFEOQLTDM-UHFFFAOYSA-N -1 1 310.325 0.899 20 0 DCADMM NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681047072 548196092 /nfs/dbraw/zinc/19/60/92/548196092.db2.gz TYNVGWKCTYKLHH-VIFPVBQESA-N -1 1 302.327 0.424 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCN(C)C1=O ZINC000681276134 548229268 /nfs/dbraw/zinc/22/92/68/548229268.db2.gz MPYRQZAXAMQUKS-SNVBAGLBSA-N -1 1 317.349 0.146 20 0 DCADMM Cc1coc2ccc(NC(=O)C(=O)NCc3nn[n-]n3)cc12 ZINC000681313574 548234134 /nfs/dbraw/zinc/23/41/34/548234134.db2.gz FASXEDFAROJQJU-UHFFFAOYSA-N -1 1 300.278 0.509 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1c1ncccn1)c1nn[n-]n1 ZINC000681352472 548240145 /nfs/dbraw/zinc/24/01/45/548240145.db2.gz CCMQSWOOFVXRJF-QWRGUYRKSA-N -1 1 316.369 0.221 20 0 DCADMM Cc1nn2cccnc2c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000681353564 548240821 /nfs/dbraw/zinc/24/08/21/548240821.db2.gz UAIGPYNBXVZYJC-QMMMGPOBSA-N -1 1 300.326 0.427 20 0 DCADMM CCC[C@@H](NC(=O)[C@H](O)Cc1cccc(OC)c1)c1nn[n-]n1 ZINC000682362718 548373573 /nfs/dbraw/zinc/37/35/73/548373573.db2.gz RAYLBSPBYMNZNQ-CHWSQXEVSA-N -1 1 319.365 0.769 20 0 DCADMM Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1nn[n-]n1 ZINC000682500731 548389658 /nfs/dbraw/zinc/38/96/58/548389658.db2.gz JKVUFRSGRORSPC-UHFFFAOYSA-N -1 1 319.275 0.902 20 0 DCADMM O=C([C@@H]1CCc2nccn2C1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000682515220 548392168 /nfs/dbraw/zinc/39/21/68/548392168.db2.gz PWEKWNUSCCEMIX-WDEREUQCSA-N -1 1 301.354 0.365 20 0 DCADMM CC(C)NS(=O)(=O)NCCNC(=O)c1ccc([O-])c(F)c1 ZINC000683254881 548461704 /nfs/dbraw/zinc/46/17/04/548461704.db2.gz ZJMNWAYLYSMRED-UHFFFAOYSA-N -1 1 319.358 0.094 20 0 DCADMM C[C@@H]1CN(c2ccnc(C(=O)NCc3nn[n-]n3)c2)C[C@@H](C)O1 ZINC000683619932 548503716 /nfs/dbraw/zinc/50/37/16/548503716.db2.gz IWPFINAHCOCSBS-NXEZZACHSA-N -1 1 317.353 0.138 20 0 DCADMM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCCc1nc[nH]n1 ZINC000684864923 548655246 /nfs/dbraw/zinc/65/52/46/548655246.db2.gz KMQSIEMFOJGBLA-UHFFFAOYSA-N -1 1 323.378 0.539 20 0 DCADMM COc1cc(Cl)c(NC(=O)C(=O)NCc2nn[n-]n2)cc1C ZINC000685120654 548681018 /nfs/dbraw/zinc/68/10/18/548681018.db2.gz TWSHGNRUTMRATA-UHFFFAOYSA-N -1 1 324.728 0.425 20 0 DCADMM Cn1cnc2c1ncnc2N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000685917335 548743962 /nfs/dbraw/zinc/74/39/62/548743962.db2.gz LBCAVOKBWNHESB-MRVPVSSYSA-N -1 1 301.310 0.836 20 0 DCADMM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cnns2)s1 ZINC001771593242 1190428428 /nfs/dbraw/zinc/42/84/28/1190428428.db2.gz VUEQNIDGIQRYCG-UHFFFAOYSA-N -1 1 306.354 0.013 20 0 DCADMM C[C@H](CS(C)(=O)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000736046390 598829960 /nfs/dbraw/zinc/82/99/60/598829960.db2.gz ISZJRKWAUPXNEH-SCSAIBSYSA-N -1 1 322.803 0.822 20 0 DCADMM C[C@H](CS(C)(=O)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000736046390 598829962 /nfs/dbraw/zinc/82/99/62/598829962.db2.gz ISZJRKWAUPXNEH-SCSAIBSYSA-N -1 1 322.803 0.822 20 0 DCADMM COC(=O)c1ccc(CNc2nccnc2-c2nnn[n-]2)o1 ZINC000736948408 598942988 /nfs/dbraw/zinc/94/29/88/598942988.db2.gz SRIVGNHNYCMPNI-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM COC(=O)c1ccc(CNc2nccnc2-c2nn[n-]n2)o1 ZINC000736948408 598942990 /nfs/dbraw/zinc/94/29/90/598942990.db2.gz SRIVGNHNYCMPNI-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@H]1COCCO1 ZINC000738436997 598960873 /nfs/dbraw/zinc/96/08/73/598960873.db2.gz MCMFUTZZOYSZLO-VIFPVBQESA-N -1 1 313.321 0.637 20 0 DCADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@H]1COCCO1 ZINC000738436997 598960875 /nfs/dbraw/zinc/96/08/75/598960875.db2.gz MCMFUTZZOYSZLO-VIFPVBQESA-N -1 1 313.321 0.637 20 0 DCADMM CCC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC000736417739 598988029 /nfs/dbraw/zinc/98/80/29/598988029.db2.gz VNUOCEXOZYTGQD-AWEZNQCLSA-N -1 1 318.337 0.723 20 0 DCADMM CCC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC000736417739 598988030 /nfs/dbraw/zinc/98/80/30/598988030.db2.gz VNUOCEXOZYTGQD-AWEZNQCLSA-N -1 1 318.337 0.723 20 0 DCADMM COC(=O)C(C)(C)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736889189 599003513 /nfs/dbraw/zinc/00/35/13/599003513.db2.gz QXMDJSLFUIADJJ-UHFFFAOYSA-N -1 1 304.310 0.285 20 0 DCADMM COC(=O)C(C)(C)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736889189 599003515 /nfs/dbraw/zinc/00/35/15/599003515.db2.gz QXMDJSLFUIADJJ-UHFFFAOYSA-N -1 1 304.310 0.285 20 0 DCADMM O=C(NCc1nccn1C(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738122584 599025900 /nfs/dbraw/zinc/02/59/00/599025900.db2.gz CQSQVXQFBDLTLS-UHFFFAOYSA-N -1 1 320.263 0.783 20 0 DCADMM O=C(NCc1nccn1C(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738122584 599025902 /nfs/dbraw/zinc/02/59/02/599025902.db2.gz CQSQVXQFBDLTLS-UHFFFAOYSA-N -1 1 320.263 0.783 20 0 DCADMM O=C(OCCN1CCNC1=O)c1sccc1-c1nn[n-]n1 ZINC000738224046 599027088 /nfs/dbraw/zinc/02/70/88/599027088.db2.gz MLQDAJIEFILUOF-UHFFFAOYSA-N -1 1 308.323 0.110 20 0 DCADMM O=C(NCCc1cscn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738087905 599031779 /nfs/dbraw/zinc/03/17/79/599031779.db2.gz LJPUAFUNAPYLML-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM O=C(NCCc1cscn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738087905 599031781 /nfs/dbraw/zinc/03/17/81/599031781.db2.gz LJPUAFUNAPYLML-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM CC[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736404994 599085391 /nfs/dbraw/zinc/08/53/91/599085391.db2.gz CVRMNAOIKVSWGR-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM CC[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736404994 599085394 /nfs/dbraw/zinc/08/53/94/599085394.db2.gz CVRMNAOIKVSWGR-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM Cc1nnc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)[nH]1 ZINC000740222843 596967023 /nfs/dbraw/zinc/96/70/23/596967023.db2.gz NXLWHRNYUPWXQZ-LLVKDONJSA-N -1 1 314.305 0.771 20 0 DCADMM Cc1n[nH]c(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)n1 ZINC000740222843 596967024 /nfs/dbraw/zinc/96/70/24/596967024.db2.gz NXLWHRNYUPWXQZ-LLVKDONJSA-N -1 1 314.305 0.771 20 0 DCADMM Cn1cc(N2CC[C@@H](N3CCC[C@@H](CC(=O)[O-])C3)C2=O)cn1 ZINC000819067418 597089156 /nfs/dbraw/zinc/08/91/56/597089156.db2.gz KYXJBCWXSFMZQA-WCQYABFASA-N -1 1 306.366 0.712 20 0 DCADMM C[C@H](C(=O)[O-])N(C)C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000817768560 597466905 /nfs/dbraw/zinc/46/69/05/597466905.db2.gz CTHSUNGPYOELDR-LLVKDONJSA-N -1 1 306.366 0.379 20 0 DCADMM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000262876698 597466936 /nfs/dbraw/zinc/46/69/36/597466936.db2.gz KNVRKJWSOFXRLN-ZDUSSCGKSA-N -1 1 319.405 0.979 20 0 DCADMM CS(=O)(=O)c1ccc([C@@H](O)CN2CC[C@H](C(=O)[O-])C2)cc1 ZINC000818648275 597531847 /nfs/dbraw/zinc/53/18/47/597531847.db2.gz NEVKTYNJHFHOOF-AAEUAGOBSA-N -1 1 313.375 0.530 20 0 DCADMM CC(=O)NCCN(Cc1cn2cccc(F)c2n1)[C@H](C)C(=O)[O-] ZINC000819780555 597705924 /nfs/dbraw/zinc/70/59/24/597705924.db2.gz JYQHYQLELFDPLS-SNVBAGLBSA-N -1 1 322.340 0.885 20 0 DCADMM CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820348385 598173584 /nfs/dbraw/zinc/17/35/84/598173584.db2.gz SLTNTEOUUUTJJF-LLVKDONJSA-N -1 1 319.361 0.924 20 0 DCADMM CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000820348385 598173585 /nfs/dbraw/zinc/17/35/85/598173585.db2.gz SLTNTEOUUUTJJF-LLVKDONJSA-N -1 1 319.361 0.924 20 0 DCADMM O=C([O-])c1ccccc1NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000821474221 598174795 /nfs/dbraw/zinc/17/47/95/598174795.db2.gz FSMWPKGFYVIWQH-JTQLQIEISA-N -1 1 317.345 0.676 20 0 DCADMM CNc1cc2c(nn1)CCN(c1nccnc1-c1nnn[n-]1)C2 ZINC000736886638 598332878 /nfs/dbraw/zinc/33/28/78/598332878.db2.gz IIBGFXWPENCQKO-UHFFFAOYSA-N -1 1 310.325 0.051 20 0 DCADMM CNc1cc2c(nn1)CCN(c1nccnc1-c1nn[n-]n1)C2 ZINC000736886638 598332880 /nfs/dbraw/zinc/33/28/80/598332880.db2.gz IIBGFXWPENCQKO-UHFFFAOYSA-N -1 1 310.325 0.051 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000737619124 598342837 /nfs/dbraw/zinc/34/28/37/598342837.db2.gz RYLQAEZBIIAXOT-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000737619124 598342839 /nfs/dbraw/zinc/34/28/39/598342839.db2.gz RYLQAEZBIIAXOT-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM CN(C)C(=O)c1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000736754466 598343156 /nfs/dbraw/zinc/34/31/56/598343156.db2.gz WOKCWBUFNDMFPL-UHFFFAOYSA-N -1 1 324.348 0.971 20 0 DCADMM CN(C)C(=O)c1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000736754466 598343157 /nfs/dbraw/zinc/34/31/57/598343157.db2.gz WOKCWBUFNDMFPL-UHFFFAOYSA-N -1 1 324.348 0.971 20 0 DCADMM COc1ccccc1[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC000737149072 598344333 /nfs/dbraw/zinc/34/43/33/598344333.db2.gz WBONYRFBFQVMMM-JTQLQIEISA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccccc1[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC000737149072 598344335 /nfs/dbraw/zinc/34/43/35/598344335.db2.gz WBONYRFBFQVMMM-JTQLQIEISA-N -1 1 313.321 0.811 20 0 DCADMM FC(F)(F)CN1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000737627990 598350462 /nfs/dbraw/zinc/35/04/62/598350462.db2.gz SVPNILNGHSNJGW-SSDOTTSWSA-N -1 1 314.275 0.705 20 0 DCADMM FC(F)(F)CN1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000737627990 598350465 /nfs/dbraw/zinc/35/04/65/598350465.db2.gz SVPNILNGHSNJGW-SSDOTTSWSA-N -1 1 314.275 0.705 20 0 DCADMM CC(C)c1nc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cs1 ZINC000735939500 598357369 /nfs/dbraw/zinc/35/73/69/598357369.db2.gz JYEQLUNNGWIEDW-UHFFFAOYSA-N -1 1 304.339 0.914 20 0 DCADMM COCCN(CCC(=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737794568 600640752 /nfs/dbraw/zinc/64/07/52/600640752.db2.gz PAMCHKRKJXBHJV-VIFPVBQESA-N -1 1 312.288 0.573 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C(=O)c1ccc(Cl)cc1 ZINC000737777379 598423977 /nfs/dbraw/zinc/42/39/77/598423977.db2.gz UQOSVZLPBKXGSW-UHFFFAOYSA-N -1 1 317.696 0.822 20 0 DCADMM Clc1nsc(NC[C@H]2COCCO2)c1-c1nnn[n-]1 ZINC000737583490 598672049 /nfs/dbraw/zinc/67/20/49/598672049.db2.gz LIOMKFWZNITDCY-YFKPBYRVSA-N -1 1 302.747 0.804 20 0 DCADMM Clc1nsc(NC[C@H]2COCCO2)c1-c1nn[n-]n1 ZINC000737583490 598672051 /nfs/dbraw/zinc/67/20/51/598672051.db2.gz LIOMKFWZNITDCY-YFKPBYRVSA-N -1 1 302.747 0.804 20 0 DCADMM c1cnn(C[C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)c1 ZINC000738412724 599432803 /nfs/dbraw/zinc/43/28/03/599432803.db2.gz MDNYTVYKKHMZSP-NSHDSACASA-N -1 1 312.337 0.364 20 0 DCADMM c1cnn(C[C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)c1 ZINC000738412724 599432804 /nfs/dbraw/zinc/43/28/04/599432804.db2.gz MDNYTVYKKHMZSP-NSHDSACASA-N -1 1 312.337 0.364 20 0 DCADMM COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821653483 599493227 /nfs/dbraw/zinc/49/32/27/599493227.db2.gz CEIFALKLSSTXGR-VIFPVBQESA-N -1 1 304.266 0.261 20 0 DCADMM COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821653483 599493230 /nfs/dbraw/zinc/49/32/30/599493230.db2.gz CEIFALKLSSTXGR-VIFPVBQESA-N -1 1 304.266 0.261 20 0 DCADMM O=c1c(-c2nn[n-]n2)cn(C[C@@H]2CCOCO2)c2ccccc12 ZINC000738371176 599523163 /nfs/dbraw/zinc/52/31/63/599523163.db2.gz GLKSJAYCPQEDRV-JTQLQIEISA-N -1 1 313.317 0.945 20 0 DCADMM CCCC(=O)NC[C@@H]1CCCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000736950922 599784907 /nfs/dbraw/zinc/78/49/07/599784907.db2.gz ARWHGPCSGMMHOX-RYUDHWBXSA-N -1 1 313.398 0.204 20 0 DCADMM CN(CCCC(=O)N[C@@H](c1nn[nH]n1)c1ccccc1)C(=O)[O-] ZINC000737423036 599809278 /nfs/dbraw/zinc/80/92/78/599809278.db2.gz RMHCWVTWAILBED-GFCCVEGCSA-N -1 1 318.337 0.795 20 0 DCADMM C[C@]1(C2CC2)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736736734 599839254 /nfs/dbraw/zinc/83/92/54/599839254.db2.gz CIVUGMKFAZIJKW-XHDPSFHLSA-N -1 1 309.366 0.994 20 0 DCADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@H](C)C(=O)[O-] ZINC000736653238 599884176 /nfs/dbraw/zinc/88/41/76/599884176.db2.gz WQVLVLVCEIWXMG-HTQZYQBOSA-N -1 1 305.290 0.698 20 0 DCADMM CCOC[C@@H](O)CN1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000737161666 599920000 /nfs/dbraw/zinc/92/00/00/599920000.db2.gz IOFGXNLQPKREJP-INIZCTEOSA-N -1 1 322.405 0.900 20 0 DCADMM C[C@H](O)CN1CCN(CCOc2cccc(C(=O)[O-])c2)CC1 ZINC000736677571 599921324 /nfs/dbraw/zinc/92/13/24/599921324.db2.gz NPHNBZGBHIJWLW-ZDUSSCGKSA-N -1 1 308.378 0.762 20 0 DCADMM C[C@H](CNC(=O)c1ccc(C(=O)[O-])s1)N1CCN(C)CC1 ZINC000736600381 599998025 /nfs/dbraw/zinc/99/80/25/599998025.db2.gz GEEJUTLSUAGFCE-SNVBAGLBSA-N -1 1 311.407 0.812 20 0 DCADMM O=C([O-])CCCCNC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000739667777 600038854 /nfs/dbraw/zinc/03/88/54/600038854.db2.gz XHXUKRQTUAIDRQ-CHWSQXEVSA-N -1 1 313.398 0.482 20 0 DCADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000739538650 600112155 /nfs/dbraw/zinc/11/21/55/600112155.db2.gz LZZNTGNEVBTTMW-ZIAGYGMSSA-N -1 1 303.362 0.883 20 0 DCADMM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000262675780 600129697 /nfs/dbraw/zinc/12/96/97/600129697.db2.gz QXIHYTOWBBXOBZ-MGPQQGTHSA-N -1 1 310.394 0.953 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000822902407 607423478 /nfs/dbraw/zinc/42/34/78/607423478.db2.gz AZRLPWUHOACWKS-LLVKDONJSA-N -1 1 324.304 0.479 20 0 DCADMM CCC[C@](C)(NCC(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000736959172 600153841 /nfs/dbraw/zinc/15/38/41/600153841.db2.gz FJSKSJGGAINTPW-HNNXBMFYSA-N -1 1 314.382 0.631 20 0 DCADMM CNC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000737538273 600329754 /nfs/dbraw/zinc/32/97/54/600329754.db2.gz JRTBAVBAHJWQSI-GFCCVEGCSA-N -1 1 319.361 0.781 20 0 DCADMM Cc1cc(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)n[nH]1 ZINC000738384940 600348984 /nfs/dbraw/zinc/34/89/84/600348984.db2.gz JIGCLZGSIILAMY-UHFFFAOYSA-N -1 1 320.280 0.810 20 0 DCADMM O=C([O-])c1ncn(CN2CCC(CCN3CCOCC3)CC2)n1 ZINC000740283760 600426580 /nfs/dbraw/zinc/42/65/80/600426580.db2.gz HNDOTINYPYMKPF-UHFFFAOYSA-N -1 1 323.397 0.368 20 0 DCADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCOCCO ZINC000736824108 600566991 /nfs/dbraw/zinc/56/69/91/600566991.db2.gz NUMMYPPTWLYHIL-CYBMUJFWSA-N -1 1 308.378 0.904 20 0 DCADMM CC(C)CN1CCO[C@H](COC(=O)CCCNC(=O)[O-])C1 ZINC000736444523 600571590 /nfs/dbraw/zinc/57/15/90/600571590.db2.gz XPRCXGLYOVFYCD-LBPRGKRZSA-N -1 1 302.371 0.934 20 0 DCADMM CN1CCN(Cc2cccc(C(=O)NCCC(=O)[O-])c2)CC1 ZINC000737528250 600654261 /nfs/dbraw/zinc/65/42/61/600654261.db2.gz ALHHIVKKPIGCKQ-UHFFFAOYSA-N -1 1 305.378 0.639 20 0 DCADMM CC(C)(CCS(C)(=O)=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824158111 607900473 /nfs/dbraw/zinc/90/04/73/607900473.db2.gz RGDQPRRUSBLYGX-UHFFFAOYSA-N -1 1 310.383 0.887 20 0 DCADMM CC(C)(CCS(C)(=O)=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824158111 607900474 /nfs/dbraw/zinc/90/04/74/607900474.db2.gz RGDQPRRUSBLYGX-UHFFFAOYSA-N -1 1 310.383 0.887 20 0 DCADMM Cn1ccc(N2CCC[C@@H](N3CCC[C@@H](C(=O)[O-])C3)C2=O)n1 ZINC000833056422 600824196 /nfs/dbraw/zinc/82/41/96/600824196.db2.gz ZBFDNJITMIPVKI-VXGBXAGGSA-N -1 1 306.366 0.712 20 0 DCADMM Cc1nnc(SCC(=O)N[C@H](C(=O)[O-])c2ccccn2)[nH]1 ZINC000832991106 600974936 /nfs/dbraw/zinc/97/49/36/600974936.db2.gz QKVOIKCJFMXDJD-JTQLQIEISA-N -1 1 307.335 0.542 20 0 DCADMM Cc1n[nH]c(SCC(=O)N[C@H](C(=O)[O-])c2ccccn2)n1 ZINC000832991106 600974938 /nfs/dbraw/zinc/97/49/38/600974938.db2.gz QKVOIKCJFMXDJD-JTQLQIEISA-N -1 1 307.335 0.542 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000827380349 601085443 /nfs/dbraw/zinc/08/54/43/601085443.db2.gz RPTLSFMRWOLLSK-LBPRGKRZSA-N -1 1 316.361 0.955 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(NC=O)cc2)CC1 ZINC000827375331 601087470 /nfs/dbraw/zinc/08/74/70/601087470.db2.gz UTLQORAWDLRIKT-GFCCVEGCSA-N -1 1 319.361 0.876 20 0 DCADMM CCN1CCC(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000038097930 601101355 /nfs/dbraw/zinc/10/13/55/601101355.db2.gz SLTQCBWFLHEEGK-UHFFFAOYSA-N -1 1 301.368 0.476 20 0 DCADMM CCn1nc(C)cc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000830445950 601103356 /nfs/dbraw/zinc/10/33/56/601103356.db2.gz VUOKIQPVNFTLLF-GFCCVEGCSA-N -1 1 308.382 0.832 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc3nncn3c2)CC1 ZINC000827380360 601106048 /nfs/dbraw/zinc/10/60/48/601106048.db2.gz RWRCJWOPJKLGSI-NSHDSACASA-N -1 1 317.349 0.350 20 0 DCADMM NC(=O)C1(NCC(=O)N2CCC(C(=O)[O-])CC2)CCCCC1 ZINC000833082631 601133808 /nfs/dbraw/zinc/13/38/08/601133808.db2.gz PGZZRTVTUQCTFE-UHFFFAOYSA-N -1 1 311.382 0.087 20 0 DCADMM Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2C)cc1C(=O)[O-] ZINC000832939621 601166522 /nfs/dbraw/zinc/16/65/22/601166522.db2.gz ICJRVGAZRGWEFH-GFCCVEGCSA-N -1 1 319.361 0.842 20 0 DCADMM Cc1nc2ccc(NC(=O)Cn3cc(C(=O)[O-])nn3)cc2[nH]1 ZINC000833004434 601273689 /nfs/dbraw/zinc/27/36/89/601273689.db2.gz RKUNFYCWXMBCRP-UHFFFAOYSA-N -1 1 300.278 0.800 20 0 DCADMM CNS(=O)(=O)C[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000820641046 601385918 /nfs/dbraw/zinc/38/59/18/601385918.db2.gz JTWNPAPLJCBJLZ-ZDUSSCGKSA-N -1 1 312.391 0.898 20 0 DCADMM O=C([O-])c1cn(CC(=O)NCCc2nc[nH]n2)c2ccccc12 ZINC000833119607 601439953 /nfs/dbraw/zinc/43/99/53/601439953.db2.gz JGHWUKBAARWPQQ-UHFFFAOYSA-N -1 1 313.317 0.817 20 0 DCADMM C[C@@H](C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)N(C)C ZINC000832803795 601448924 /nfs/dbraw/zinc/44/89/24/601448924.db2.gz YUBHVSOFUILLIC-JTQLQIEISA-N -1 1 307.350 0.319 20 0 DCADMM CCN1C(=O)[C@H]2CN(Cc3ccsc3C(=O)[O-])CCN2C1=O ZINC000829745119 601491187 /nfs/dbraw/zinc/49/11/87/601491187.db2.gz OQJVGWZFVZBSBN-SNVBAGLBSA-N -1 1 323.374 0.915 20 0 DCADMM CC(=O)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000823981716 607514071 /nfs/dbraw/zinc/51/40/71/607514071.db2.gz PXHCSZRXQBVBDQ-SNVBAGLBSA-N -1 1 301.354 0.314 20 0 DCADMM C[C@@H]1CN([C@H]2CC(=O)N(c3cccc(O)c3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828433636 601635622 /nfs/dbraw/zinc/63/56/22/601635622.db2.gz WSBFQZNYNDJDEI-ICCXJUOJSA-N -1 1 318.329 0.677 20 0 DCADMM O=C([O-])[C@@]1(F)CCN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000833115730 601711493 /nfs/dbraw/zinc/71/14/93/601711493.db2.gz DOMOMQFDOFYDRF-SECBINFHSA-N -1 1 323.396 0.944 20 0 DCADMM COCCn1cnnc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826163767 607537425 /nfs/dbraw/zinc/53/74/25/607537425.db2.gz KIDZGPMJLRUEBW-UHFFFAOYSA-N -1 1 318.366 0.792 20 0 DCADMM COCCn1cnnc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826163767 607537427 /nfs/dbraw/zinc/53/74/27/607537427.db2.gz KIDZGPMJLRUEBW-UHFFFAOYSA-N -1 1 318.366 0.792 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000827355572 602020650 /nfs/dbraw/zinc/02/06/50/602020650.db2.gz KMXUQLWUERKAPE-VXGBXAGGSA-N -1 1 320.393 0.837 20 0 DCADMM CC(C)(O)CN1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1 ZINC000824034578 602872004 /nfs/dbraw/zinc/87/20/04/602872004.db2.gz FLOAYZZTQTXDTG-GFCCVEGCSA-N -1 1 313.398 0.434 20 0 DCADMM C[C@H](CN1CCN(C)CC1)NC(=O)CN(CC1CC1)C(=O)[O-] ZINC000824907108 602874262 /nfs/dbraw/zinc/87/42/62/602874262.db2.gz IERATBUGJQGYTA-GFCCVEGCSA-N -1 1 312.414 0.129 20 0 DCADMM C[C@@H](C(=O)NCc1nn[nH]n1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823704771 602912301 /nfs/dbraw/zinc/91/23/01/602912301.db2.gz TWUSLOWOQXIEIV-LDYMZIIASA-N -1 1 304.310 0.461 20 0 DCADMM C[C@@H](CNC(=O)CN(CC1CC1)C(=O)[O-])N1CCN(C)CC1 ZINC000824921060 602927398 /nfs/dbraw/zinc/92/73/98/602927398.db2.gz BUQZBRIJRRYBTG-LBPRGKRZSA-N -1 1 312.414 0.129 20 0 DCADMM CC[C@@H]1CN(C(=O)CCCN(C)C(=O)[O-])CCN1CCOC ZINC000736940316 602987743 /nfs/dbraw/zinc/98/77/43/602987743.db2.gz SNQCVKLLMBAGOV-CYBMUJFWSA-N -1 1 315.414 0.946 20 0 DCADMM O=C([O-])NCCC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000740641753 603395705 /nfs/dbraw/zinc/39/57/05/603395705.db2.gz XNPHBAQWGQJMQJ-UHFFFAOYSA-N -1 1 306.366 0.820 20 0 DCADMM O=C([O-])N[C@@H]1CC[C@H](C(=O)NCCCCN2CCOCC2)C1 ZINC000832262126 603484658 /nfs/dbraw/zinc/48/46/58/603484658.db2.gz IFRXEZLQWXBUPN-QWHCGFSZSA-N -1 1 313.398 0.651 20 0 DCADMM CCC[C@H](NC(=O)[O-])C(=O)N1CCN(C2CCOCC2)CC1 ZINC000826750113 603512791 /nfs/dbraw/zinc/51/27/91/603512791.db2.gz GRSXIHMIWHKEQS-ZDUSSCGKSA-N -1 1 313.398 0.746 20 0 DCADMM O=C([O-])NC[C@H]1CCN([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000832590498 603542977 /nfs/dbraw/zinc/54/29/77/603542977.db2.gz VDNTZUZQLRNDHW-YPMHNXCESA-N -1 1 311.382 0.356 20 0 DCADMM CC[C@H]1CN2CCCC[C@H]2CN1C(=O)COCCNC(=O)[O-] ZINC000826691456 603556854 /nfs/dbraw/zinc/55/68/54/603556854.db2.gz RNAKUEVDKGXEMY-STQMWFEESA-N -1 1 313.398 0.746 20 0 DCADMM O=C([O-])NC[C@@H]1CCCN1Cc1cc(=O)n2ccccc2n1 ZINC000832573079 603575912 /nfs/dbraw/zinc/57/59/12/603575912.db2.gz KQZNKQOTTQWFIT-LBPRGKRZSA-N -1 1 302.334 0.927 20 0 DCADMM 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CC(=O)N[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(C)C ZINC000819803664 606652509 /nfs/dbraw/zinc/65/25/09/606652509.db2.gz OZCBQESCXQPMKG-GFCCVEGCSA-N -1 1 318.337 0.466 20 0 DCADMM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823150684 606752778 /nfs/dbraw/zinc/75/27/78/606752778.db2.gz RXYZGRCWIDTDDF-LOWVWBTDSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823150684 606752779 /nfs/dbraw/zinc/75/27/79/606752779.db2.gz RXYZGRCWIDTDDF-LOWVWBTDSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]2COCC[C@@H]21 ZINC000823478684 606818021 /nfs/dbraw/zinc/81/80/21/606818021.db2.gz PHRUXHNKEIDUEL-AAEUAGOBSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]2COCC[C@@H]21 ZINC000823478684 606818023 /nfs/dbraw/zinc/81/80/23/606818023.db2.gz PHRUXHNKEIDUEL-AAEUAGOBSA-N -1 1 314.349 0.903 20 0 DCADMM CCc1nn(CC2(O)CCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517048 606860148 /nfs/dbraw/zinc/86/01/48/606860148.db2.gz FYJUUNFYWNEJGB-UHFFFAOYSA-N -1 1 304.354 0.463 20 0 DCADMM COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821652009 607137987 /nfs/dbraw/zinc/13/79/87/607137987.db2.gz KOAAWALEXHNUQB-AWEZNQCLSA-N -1 1 316.321 0.287 20 0 DCADMM COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821652009 607137988 /nfs/dbraw/zinc/13/79/88/607137988.db2.gz KOAAWALEXHNUQB-AWEZNQCLSA-N -1 1 316.321 0.287 20 0 DCADMM C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000820717509 607208829 /nfs/dbraw/zinc/20/88/29/607208829.db2.gz REJZBVPKCCHAPK-JTQLQIEISA-N -1 1 324.348 0.999 20 0 DCADMM Cc1ccc2c(c1)[C@H](NC(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC000822275616 607215195 /nfs/dbraw/zinc/21/51/95/607215195.db2.gz XGDALSFBQHNCPL-GFCCVEGCSA-N -1 1 324.348 0.570 20 0 DCADMM CC1(C)OC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)O1 ZINC000820607157 607218044 /nfs/dbraw/zinc/21/80/44/607218044.db2.gz KQMSNLKTIBEQIW-SECBINFHSA-N -1 1 304.310 0.143 20 0 DCADMM CC1(C)OC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)O1 ZINC000820607157 607218045 /nfs/dbraw/zinc/21/80/45/607218045.db2.gz KQMSNLKTIBEQIW-SECBINFHSA-N -1 1 304.310 0.143 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC2(C1)CCCCC2 ZINC000823123008 607219775 /nfs/dbraw/zinc/21/97/75/607219775.db2.gz KQTRRMDGJGAIAL-UHFFFAOYSA-N -1 1 316.369 0.641 20 0 DCADMM Cc1cccc(C)c1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822293581 607224462 /nfs/dbraw/zinc/22/44/62/607224462.db2.gz CQLNPTMVTNMVPC-UHFFFAOYSA-N -1 1 312.337 0.391 20 0 DCADMM c1cn(CC2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nn1 ZINC000826514465 607811520 /nfs/dbraw/zinc/81/15/20/607811520.db2.gz RXDUKETZWKNTOH-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1cn(CC2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nn1 ZINC000826514465 607811521 /nfs/dbraw/zinc/81/15/21/607811521.db2.gz RXDUKETZWKNTOH-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM C[C@@H]1OCC[C@@H]1S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825022657 607813902 /nfs/dbraw/zinc/81/39/02/607813902.db2.gz YUVQCHRCJSZFQO-KWQFWETISA-N -1 1 309.351 0.354 20 0 DCADMM C[C@@H]1OCC[C@@H]1S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825022657 607813903 /nfs/dbraw/zinc/81/39/03/607813903.db2.gz YUVQCHRCJSZFQO-KWQFWETISA-N -1 1 309.351 0.354 20 0 DCADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCO1 ZINC000825134315 607912824 /nfs/dbraw/zinc/91/28/24/607912824.db2.gz SPXFLTAVOIXGPE-PWSUYJOCSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCO1 ZINC000825134315 607912825 /nfs/dbraw/zinc/91/28/25/607912825.db2.gz SPXFLTAVOIXGPE-PWSUYJOCSA-N -1 1 302.338 0.949 20 0 DCADMM C[C@](O)(CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000824670770 607917399 /nfs/dbraw/zinc/91/73/99/607917399.db2.gz VANIFEAPOQHDHZ-AWEZNQCLSA-N -1 1 303.322 0.856 20 0 DCADMM C[C@](O)(CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000824670770 607917400 /nfs/dbraw/zinc/91/74/00/607917400.db2.gz VANIFEAPOQHDHZ-AWEZNQCLSA-N -1 1 303.322 0.856 20 0 DCADMM CC1(C)OC[C@H](CCOC(=O)c2ccc(-c3nnn[n-]3)nc2)O1 ZINC000824811850 607993580 /nfs/dbraw/zinc/99/35/80/607993580.db2.gz FHPBTZJDYUYDKB-JTQLQIEISA-N -1 1 319.321 0.960 20 0 DCADMM CC1(C)OC[C@H](CCOC(=O)c2ccc(-c3nn[n-]n3)nc2)O1 ZINC000824811850 607993581 /nfs/dbraw/zinc/99/35/81/607993581.db2.gz FHPBTZJDYUYDKB-JTQLQIEISA-N -1 1 319.321 0.960 20 0 DCADMM CCC[C@@H](NC(N)=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825348669 607997973 /nfs/dbraw/zinc/99/79/73/607997973.db2.gz VRNBQSYLYVGTSX-MRVPVSSYSA-N -1 1 319.325 0.348 20 0 DCADMM C[C@@H](CO)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824441344 607999924 /nfs/dbraw/zinc/99/99/24/607999924.db2.gz OTRYHAZLVYMWNQ-ZETCQYMHSA-N -1 1 315.330 0.007 20 0 DCADMM O=C1c2ccccc2C(=O)N1CCn1ccnc1-c1nnn[n-]1 ZINC000826483420 608013749 /nfs/dbraw/zinc/01/37/49/608013749.db2.gz NAPGTRAQGZOHLI-UHFFFAOYSA-N -1 1 309.289 0.359 20 0 DCADMM O=C1c2ccccc2C(=O)N1CCn1ccnc1-c1nn[n-]n1 ZINC000826483420 608013750 /nfs/dbraw/zinc/01/37/50/608013750.db2.gz NAPGTRAQGZOHLI-UHFFFAOYSA-N -1 1 309.289 0.359 20 0 DCADMM Nc1ccnc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)n1 ZINC000826396113 608122527 /nfs/dbraw/zinc/12/25/27/608122527.db2.gz HOTYHIUAQZNJNS-UHFFFAOYSA-N -1 1 320.316 0.602 20 0 DCADMM O=C1C[C@@H]([C@@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)CN1 ZINC000826478950 608149313 /nfs/dbraw/zinc/14/93/13/608149313.db2.gz NACJSOMWZNZWIC-PWSUYJOCSA-N -1 1 313.365 0.757 20 0 DCADMM O=C1C[C@@H]([C@@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)CN1 ZINC000826478950 608149314 /nfs/dbraw/zinc/14/93/14/608149314.db2.gz NACJSOMWZNZWIC-PWSUYJOCSA-N -1 1 313.365 0.757 20 0 DCADMM CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825247487 608250471 /nfs/dbraw/zinc/25/04/71/608250471.db2.gz FHKXWMXRNXHRLP-MRVPVSSYSA-N -1 1 320.378 0.669 20 0 DCADMM CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825247487 608250473 /nfs/dbraw/zinc/25/04/73/608250473.db2.gz FHKXWMXRNXHRLP-MRVPVSSYSA-N -1 1 320.378 0.669 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1NC[C@@H]1COC2(CCCC2)O1 ZINC000826515451 608295193 /nfs/dbraw/zinc/29/51/93/608295193.db2.gz ZCGSJAIWAZWXAX-SECBINFHSA-N -1 1 303.326 0.754 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1NC[C@@H]1COC2(CCCC2)O1 ZINC000826515451 608295195 /nfs/dbraw/zinc/29/51/95/608295195.db2.gz ZCGSJAIWAZWXAX-SECBINFHSA-N -1 1 303.326 0.754 20 0 DCADMM CNC(=O)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826050875 608407308 /nfs/dbraw/zinc/40/73/08/608407308.db2.gz GTNQYAKLUZDKKP-UHFFFAOYSA-N -1 1 302.342 0.373 20 0 DCADMM CNC(=O)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826050875 608407310 /nfs/dbraw/zinc/40/73/10/608407310.db2.gz GTNQYAKLUZDKKP-UHFFFAOYSA-N -1 1 302.342 0.373 20 0 DCADMM c1cnnc(N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826526199 608415063 /nfs/dbraw/zinc/41/50/63/608415063.db2.gz OUBANRXJBTXOBZ-UHFFFAOYSA-N -1 1 324.352 0.163 20 0 DCADMM c1cnnc(N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826526199 608415065 /nfs/dbraw/zinc/41/50/65/608415065.db2.gz OUBANRXJBTXOBZ-UHFFFAOYSA-N -1 1 324.352 0.163 20 0 DCADMM COC(=O)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826134310 608415287 /nfs/dbraw/zinc/41/52/87/608415287.db2.gz UVMFFWRFCXTLCO-UHFFFAOYSA-N -1 1 303.326 0.800 20 0 DCADMM COC(=O)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826134310 608415289 /nfs/dbraw/zinc/41/52/89/608415289.db2.gz UVMFFWRFCXTLCO-UHFFFAOYSA-N -1 1 303.326 0.800 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H](C(F)(F)F)O1 ZINC000824994551 608427128 /nfs/dbraw/zinc/42/71/28/608427128.db2.gz VISKFFHMYLYJMG-SVRRBLITSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H](C(F)(F)F)O1 ZINC000824994551 608427130 /nfs/dbraw/zinc/42/71/30/608427130.db2.gz VISKFFHMYLYJMG-SVRRBLITSA-N -1 1 315.259 0.813 20 0 DCADMM COC(=O)C1(NCc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC000826124193 608455101 /nfs/dbraw/zinc/45/51/01/608455101.db2.gz PVIKOOWWRODJNS-UHFFFAOYSA-N -1 1 302.338 0.837 20 0 DCADMM COC(=O)C1(NCc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC000826124193 608455102 /nfs/dbraw/zinc/45/51/02/608455102.db2.gz PVIKOOWWRODJNS-UHFFFAOYSA-N -1 1 302.338 0.837 20 0 DCADMM c1cc(-c2nnn[n-]2)oc1CN1CCN(c2cnccn2)CC1 ZINC000826525726 608544550 /nfs/dbraw/zinc/54/45/50/608544550.db2.gz WTKKDIOSRCUNDC-UHFFFAOYSA-N -1 1 312.337 0.572 20 0 DCADMM c1cc(-c2nn[n-]n2)oc1CN1CCN(c2cnccn2)CC1 ZINC000826525726 608544551 /nfs/dbraw/zinc/54/45/51/608544551.db2.gz WTKKDIOSRCUNDC-UHFFFAOYSA-N -1 1 312.337 0.572 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CC1(C)C ZINC000825923253 608560609 /nfs/dbraw/zinc/56/06/09/608560609.db2.gz DKVSHJSQDGWGKS-QMMMGPOBSA-N -1 1 318.385 0.609 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CC1(C)C ZINC000825923253 608560611 /nfs/dbraw/zinc/56/06/11/608560611.db2.gz DKVSHJSQDGWGKS-QMMMGPOBSA-N -1 1 318.385 0.609 20 0 DCADMM Cc1ccc2nc(Cn3ccnc3-c3nnn[n-]3)cc(=O)n2c1 ZINC000826295734 608892346 /nfs/dbraw/zinc/89/23/46/608892346.db2.gz VWAFFJRRHRVEBI-UHFFFAOYSA-N -1 1 308.305 0.428 20 0 DCADMM Cc1ccc2nc(Cn3ccnc3-c3nn[n-]n3)cc(=O)n2c1 ZINC000826295734 608892347 /nfs/dbraw/zinc/89/23/47/608892347.db2.gz VWAFFJRRHRVEBI-UHFFFAOYSA-N -1 1 308.305 0.428 20 0 DCADMM CCC[C@@H]1C[C@@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)CCO1 ZINC000825253506 609149920 /nfs/dbraw/zinc/14/99/20/609149920.db2.gz NECXJFOMQFYRHC-DTWKUNHWSA-N -1 1 305.342 0.881 20 0 DCADMM CC(C)CCCSc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824245409 609171427 /nfs/dbraw/zinc/17/14/27/609171427.db2.gz ZHNKTZZEYSELDI-UHFFFAOYSA-N -1 1 324.410 0.792 20 0 DCADMM CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826067195 609361505 /nfs/dbraw/zinc/36/15/05/609361505.db2.gz DSZRPGCCAYHGNO-UHFFFAOYSA-N -1 1 302.273 0.943 20 0 DCADMM Cc1nn(Cc2ccc(CO)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334578 609419135 /nfs/dbraw/zinc/41/91/35/609419135.db2.gz ANEJCSYBZUJIOP-UHFFFAOYSA-N -1 1 312.333 0.581 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](C)[C@@H](F)C2)c1-c1nnn[n-]1 ZINC000826344011 609472765 /nfs/dbraw/zinc/47/27/65/609472765.db2.gz UZBNHLVTZVFUBA-APPZFPTMSA-N -1 1 308.317 0.912 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](C)[C@@H](F)C2)c1-c1nn[n-]n1 ZINC000826344011 609472768 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O=C(N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)c1cnon1 ZINC000978741838 660598355 /nfs/dbraw/zinc/59/83/55/660598355.db2.gz KDMOLVNMNWHZPQ-DTORHVGOSA-N -1 1 317.305 0.109 20 0 DCADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]c1cncc(N(C)C)c1 ZINC000906071992 663598780 /nfs/dbraw/zinc/59/87/80/663598780.db2.gz CYTGPASTKXWROP-GOSISDBHSA-N -1 1 306.413 0.922 20 0 DCADMM CC1(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)c4cnn[nH]4)[C@H]3C2)CC1 ZINC000979840668 660826625 /nfs/dbraw/zinc/82/66/25/660826625.db2.gz NEKATAOXGQQTLW-GARJFASQSA-N -1 1 303.366 0.572 20 0 DCADMM CCCc1[nH]nc(C(=O)[N-]NC(=O)c2ccccn2)c1[N+](=O)[O-] ZINC000068229667 665407398 /nfs/dbraw/zinc/40/73/98/665407398.db2.gz AGYSRFHWSFFKTI-UHFFFAOYSA-N -1 1 318.293 0.740 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)[C@@H]3CC3(C)C)CC2)nc1=O ZINC000980989629 661059276 /nfs/dbraw/zinc/05/92/76/661059276.db2.gz AMSYUASYVNRWSN-NSHDSACASA-N -1 1 307.398 0.189 20 0 DCADMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)C[C@H](C)COC ZINC000921379052 665298648 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/nfs/dbraw/zinc/04/00/32/668040032.db2.gz LCFCRWVCUIDVCD-SNVBAGLBSA-N -1 1 303.336 0.506 20 0 DCADMM O=C(NC[C@@H]1CCN(Cc2nncs2)C1)c1ncccc1[O-] ZINC001028500854 661571265 /nfs/dbraw/zinc/57/12/65/661571265.db2.gz SOUIKAWTVZXYAR-JTQLQIEISA-N -1 1 319.390 0.891 20 0 DCADMM C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000726866423 661678707 /nfs/dbraw/zinc/67/87/07/661678707.db2.gz SUXGFMOSUCHOAI-GFCCVEGCSA-N -1 1 301.346 0.847 20 0 DCADMM COc1ccc(CCNC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000726864718 661678761 /nfs/dbraw/zinc/67/87/61/661678761.db2.gz ICLVJRBRSHQMRD-UHFFFAOYSA-N -1 1 317.345 0.294 20 0 DCADMM CC(=O)N1CCC2(CO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000982866795 661704113 /nfs/dbraw/zinc/70/41/13/661704113.db2.gz IIARPWNZEVARMA-NSHDSACASA-N -1 1 309.370 0.018 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@H](NC(C)=O)C1 ZINC000983379035 661890153 /nfs/dbraw/zinc/89/01/53/661890153.db2.gz GIFMNYCTLKKQQF-DTWKUNHWSA-N -1 1 324.337 0.074 20 0 DCADMM COCC(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000983780139 662039185 /nfs/dbraw/zinc/03/91/85/662039185.db2.gz ICUFAZGTRQTCGW-NSHDSACASA-N -1 1 307.350 0.497 20 0 DCADMM CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000909437528 662072531 /nfs/dbraw/zinc/07/25/31/662072531.db2.gz AIHNXHHETACKTN-LRDDRELGSA-N -1 1 322.361 0.335 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C)CC2)o1 ZINC000928532192 662093933 /nfs/dbraw/zinc/09/39/33/662093933.db2.gz CIZMDFVALCMWIR-VIFPVBQESA-N -1 1 302.352 0.439 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)c1Cl ZINC000759769490 668236731 /nfs/dbraw/zinc/23/67/31/668236731.db2.gz WFGZOPDYCKTKBH-NSHDSACASA-N -1 1 323.802 0.141 20 0 DCADMM O=C(/C=C\COC1CCOCC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000866901545 662145587 /nfs/dbraw/zinc/14/55/87/662145587.db2.gz IAVFTJLSMHBTEP-QQHVMHFCSA-N -1 1 321.381 0.658 20 0 DCADMM O=C(/C=C/COC1CCOCC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000866901544 662145613 /nfs/dbraw/zinc/14/56/13/662145613.db2.gz IAVFTJLSMHBTEP-KMOQFTEPSA-N -1 1 321.381 0.658 20 0 DCADMM NS(=O)(=O)c1ccc(CCC(=O)[N-]OCC(F)F)cc1 ZINC000760140734 668258649 /nfs/dbraw/zinc/25/86/49/668258649.db2.gz GTDBQFDSVUYMGK-UHFFFAOYSA-N -1 1 308.306 0.580 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000727574631 662192072 /nfs/dbraw/zinc/19/20/72/662192072.db2.gz JRPHNOQJEILADM-MNOVXSKESA-N -1 1 305.286 0.295 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCCN1CCc2ccccc21 ZINC000895787244 662216302 /nfs/dbraw/zinc/21/63/02/662216302.db2.gz LKXWVFMHJPNIES-UHFFFAOYSA-N -1 1 300.366 0.701 20 0 DCADMM CCC(CC)N(CCOC)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000727755517 662237272 /nfs/dbraw/zinc/23/72/72/662237272.db2.gz XVRWEALUUZJIKE-UHFFFAOYSA-N -1 1 311.382 0.590 20 0 DCADMM CCOc1cccc(NC(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC000727851592 662254435 /nfs/dbraw/zinc/25/44/35/662254435.db2.gz KUSNPAXKGCTNHI-UHFFFAOYSA-N -1 1 303.318 0.964 20 0 DCADMM Cc1cc([C@@H]2CCCN2C(=O)CCn2cc[n-]c(=O)c2=O)on1 ZINC000727850665 662254534 /nfs/dbraw/zinc/25/45/34/662254534.db2.gz ZLNFCULQOOXXRK-NSHDSACASA-N -1 1 318.333 0.587 20 0 DCADMM Cc1ccccc1C[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000727852470 662255214 /nfs/dbraw/zinc/25/52/14/662255214.db2.gz WBCVBUBHKATORJ-CYBMUJFWSA-N -1 1 315.373 0.983 20 0 DCADMM CO[C@@H]1[C@H](C)[C@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2)C1(C)C ZINC000909562883 662367343 /nfs/dbraw/zinc/36/73/43/662367343.db2.gz PKBMIHLGATWJCN-UVLXDEKHSA-N -1 1 312.410 0.959 20 0 DCADMM O=C(Nc1nnn[n-]1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000728208745 662367689 /nfs/dbraw/zinc/36/76/89/662367689.db2.gz QSWLDMIUOJJQSN-UHFFFAOYSA-N -1 1 318.318 0.647 20 0 DCADMM O=C(Nc1nn[n-]n1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000728208745 662367691 /nfs/dbraw/zinc/36/76/91/662367691.db2.gz QSWLDMIUOJJQSN-UHFFFAOYSA-N -1 1 318.318 0.647 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001029744346 662464349 /nfs/dbraw/zinc/46/43/49/662464349.db2.gz ICWYDDWXXWUZNZ-SNVBAGLBSA-N -1 1 304.354 0.433 20 0 DCADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCOC[C@H]1CO ZINC000923982678 662489939 /nfs/dbraw/zinc/48/99/39/662489939.db2.gz QPMKKQXDIUYBKW-SNVBAGLBSA-N -1 1 300.742 0.948 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001029850370 662496108 /nfs/dbraw/zinc/49/61/08/662496108.db2.gz DAISWHRHGFMQDV-QWRGUYRKSA-N -1 1 305.382 0.591 20 0 DCADMM C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985716928 662504281 /nfs/dbraw/zinc/50/42/81/662504281.db2.gz IEXWUIWYYPREFX-CMPLNLGQSA-N -1 1 323.397 0.358 20 0 DCADMM Cc1cccc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)n1 ZINC000986001070 662535882 /nfs/dbraw/zinc/53/58/82/662535882.db2.gz ZUUIKYRCZDIDPV-WDEREUQCSA-N -1 1 316.365 0.607 20 0 DCADMM C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC000986106350 662555252 /nfs/dbraw/zinc/55/52/52/662555252.db2.gz JKHJKTBMUKLLAE-DTWKUNHWSA-N -1 1 318.337 0.004 20 0 DCADMM C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1cncc(F)c1 ZINC000986131593 662560012 /nfs/dbraw/zinc/56/00/12/662560012.db2.gz DZNLWVFBJOVJML-LDYMZIIASA-N -1 1 320.328 0.437 20 0 DCADMM Cc1cnccc1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000986240277 662575846 /nfs/dbraw/zinc/57/58/46/662575846.db2.gz BLFZOKGYHVPGJZ-PWSUYJOCSA-N -1 1 316.365 0.607 20 0 DCADMM CO[C@H](C)C(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001029940643 662594668 /nfs/dbraw/zinc/59/46/68/662594668.db2.gz FORPQTGGTIGOLI-SNVBAGLBSA-N -1 1 311.386 0.216 20 0 DCADMM O=C(COC(=O)C1(O)CCOCC1)[N-]C(=O)c1ccccc1 ZINC000729027528 662603781 /nfs/dbraw/zinc/60/37/81/662603781.db2.gz HFAMBQCDSUXMJS-UHFFFAOYSA-N -1 1 307.302 0.028 20 0 DCADMM O=C([C@H]1CCOc2ccccc21)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737792070 662612273 /nfs/dbraw/zinc/61/22/73/662612273.db2.gz MGYCLFOKSOTRNR-NWDGAFQWSA-N -1 1 315.333 0.666 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CC1=CCOCC1 ZINC000986860230 662622909 /nfs/dbraw/zinc/62/29/09/662622909.db2.gz ZFMGDVOVKIJCHC-JQWIXIFHSA-N -1 1 321.381 0.326 20 0 DCADMM Cc1c(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)ccn1C ZINC000986888481 662624386 /nfs/dbraw/zinc/62/43/86/662624386.db2.gz DUNWYQPWIHUBCQ-CMPLNLGQSA-N -1 1 318.381 0.550 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)c2cocn2)CCN1C(=O)c1ncccc1[O-] ZINC000987448783 662679144 /nfs/dbraw/zinc/67/91/44/662679144.db2.gz OGVAZPRDDWCDKB-ZJUUUORDSA-N -1 1 316.317 0.808 20 0 DCADMM Cc1ccc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C[C@@H]2C)n1C ZINC000988043263 662725932 /nfs/dbraw/zinc/72/59/32/662725932.db2.gz HUBOXAWJOJKWGR-WDEREUQCSA-N -1 1 318.381 0.550 20 0 DCADMM CCc1cc(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C[C@@H]2C)[nH]n1 ZINC000988163258 662734366 /nfs/dbraw/zinc/73/43/66/662734366.db2.gz DMZYAUBBTJNZOW-WPRPVWTQSA-N -1 1 319.369 0.189 20 0 DCADMM C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1ccncc1F ZINC000988462203 662786897 /nfs/dbraw/zinc/78/68/97/662786897.db2.gz REKUFIQCKIQHRC-IUCAKERBSA-N -1 1 320.328 0.437 20 0 DCADMM Cc1ncoc1C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000937860817 662833049 /nfs/dbraw/zinc/83/30/49/662833049.db2.gz KMRQGAWXYPVIPE-JTQLQIEISA-N -1 1 316.317 0.728 20 0 DCADMM Cc1cc[nH]c1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000988768556 662855677 /nfs/dbraw/zinc/85/56/77/662855677.db2.gz XOYBYQHXOZJCPP-ZJUUUORDSA-N -1 1 304.354 0.540 20 0 DCADMM Cc1cocc1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000989305880 662898764 /nfs/dbraw/zinc/89/87/64/662898764.db2.gz DLPMRZBBUVDNKP-UWVGGRQHSA-N -1 1 305.338 0.805 20 0 DCADMM C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1csc(=O)[nH]1 ZINC000989317304 662900208 /nfs/dbraw/zinc/90/02/08/662900208.db2.gz DOGLQHYAEXMZFZ-NKWVEPMBSA-N -1 1 324.366 0.065 20 0 DCADMM C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1ccc(Cl)[nH]1 ZINC000989425487 662917272 /nfs/dbraw/zinc/91/72/72/662917272.db2.gz KOZCHAABJMHACD-SFYZADRCSA-N -1 1 324.772 0.885 20 0 DCADMM CCc1ncoc1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000989428533 662917840 /nfs/dbraw/zinc/91/78/40/662917840.db2.gz BQHWIZGXYCBOAO-IUCAKERBSA-N -1 1 320.353 0.454 20 0 DCADMM CCc1oncc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000989508030 662954856 /nfs/dbraw/zinc/95/48/56/662954856.db2.gz VQXPYFBZZQDJRA-DTWKUNHWSA-N -1 1 320.353 0.454 20 0 DCADMM CCc1nc[nH]c1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000989730290 662974609 /nfs/dbraw/zinc/97/46/09/662974609.db2.gz JBGQTNXNYCCCEM-RKDXNWHRSA-N -1 1 319.369 0.189 20 0 DCADMM COCCN(CC(=O)[O-])C(=O)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000322990340 662983960 /nfs/dbraw/zinc/98/39/60/662983960.db2.gz RGAJUXAKZBYHER-CYBMUJFWSA-N -1 1 319.361 0.597 20 0 DCADMM Cc1cc(CC(=O)NC2CN(C(=O)c3ncccc3[O-])C2)no1 ZINC000990537720 663063496 /nfs/dbraw/zinc/06/34/96/663063496.db2.gz KYEJHLMQZJTYEQ-UHFFFAOYSA-N -1 1 316.317 0.267 20 0 DCADMM C[N@@H+](CCO)CCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000899734242 663187568 /nfs/dbraw/zinc/18/75/68/663187568.db2.gz XKHUSZANVTWSKA-UHFFFAOYSA-N -1 1 322.340 0.371 20 0 DCADMM O=C(NCCN1CCSCC1)c1cnc(C2CC2)[nH]c1=O ZINC000900673310 663270425 /nfs/dbraw/zinc/27/04/25/663270425.db2.gz PAKHINAPAPHUIU-UHFFFAOYSA-N -1 1 308.407 0.838 20 0 DCADMM Cn1cc(C(=O)NCC2CN(C(=O)c3ncccc3[O-])C2)cn1 ZINC001000862074 665944507 /nfs/dbraw/zinc/94/45/07/665944507.db2.gz RWTVCNTVEOSYNP-UHFFFAOYSA-N -1 1 315.333 0.023 20 0 DCADMM O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cnc(C2CC2)[n-]c1=O ZINC000900944550 663296405 /nfs/dbraw/zinc/29/64/05/663296405.db2.gz CZBHMFQZUQBMSY-VIFPVBQESA-N -1 1 302.334 0.553 20 0 DCADMM O=C(C[C@@H]1COCCN1)[N-]S(=O)(=O)CCc1ccccc1 ZINC000901023961 663303901 /nfs/dbraw/zinc/30/39/01/663303901.db2.gz OOEUKWVUJVWYNJ-CYBMUJFWSA-N -1 1 312.391 0.054 20 0 DCADMM COCCNCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2n1 ZINC000901047044 663310497 /nfs/dbraw/zinc/31/04/97/663310497.db2.gz BDXVJKGYQGJSPP-UHFFFAOYSA-N -1 1 323.374 0.276 20 0 DCADMM COCCn1c(=O)cc([O-])nc1SC/C(C)=C/C(=O)OC ZINC000901651929 663359853 /nfs/dbraw/zinc/35/98/53/663359853.db2.gz DNABDUHRPBOQDD-RMKNXTFCSA-N -1 1 314.363 0.807 20 0 DCADMM CO[C@@H](C(=O)[O-])C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000901886236 663372221 /nfs/dbraw/zinc/37/22/21/663372221.db2.gz GGQMBXGBLOPQTP-SMDDNHRTSA-N -1 1 306.362 0.649 20 0 DCADMM Cc1ccc(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)cn1 ZINC000990969815 663394630 /nfs/dbraw/zinc/39/46/30/663394630.db2.gz PAQYXQNZZNVNGQ-UHFFFAOYSA-N -1 1 312.329 0.745 20 0 DCADMM C[C@@H]1CC[C@@H](CC(=O)N2CC(NC(=O)c3ncccc3[O-])C2)O1 ZINC000990969240 663394734 /nfs/dbraw/zinc/39/47/34/663394734.db2.gz BVCMDPVPUNHVNJ-PWSUYJOCSA-N -1 1 319.361 0.685 20 0 DCADMM C[C@H](C(=O)N1CC(NC(=O)c2ncccc2[O-])C1)n1cccn1 ZINC000990969315 663394825 /nfs/dbraw/zinc/39/48/25/663394825.db2.gz MGMMZSFMGCXRPP-SNVBAGLBSA-N -1 1 315.333 0.186 20 0 DCADMM C[C@@H]1COCC[C@@H]1C(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990971232 663397276 /nfs/dbraw/zinc/39/72/76/663397276.db2.gz HMVNROFZBAZHBZ-PWSUYJOCSA-N -1 1 319.361 0.400 20 0 DCADMM C[C@H]1C[C@H](C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)CO1 ZINC000990977677 663399724 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/nfs/dbraw/zinc/56/85/74/1163568574.db2.gz SPZGLTWXPIHKIQ-JTQLQIEISA-N -1 1 307.358 0.991 20 0 DCADMM CC(C)C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573950486 1163597988 /nfs/dbraw/zinc/59/79/88/1163597988.db2.gz QWYLVQPQMBTBAF-KOLCDFICSA-N -1 1 316.369 0.572 20 0 DCADMM CC(C)C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573950486 1163597995 /nfs/dbraw/zinc/59/79/95/1163597995.db2.gz QWYLVQPQMBTBAF-KOLCDFICSA-N -1 1 316.369 0.572 20 0 DCADMM CC(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573959365 1163604179 /nfs/dbraw/zinc/60/41/79/1163604179.db2.gz WSLFPAVXHFJOAE-UWVGGRQHSA-N -1 1 314.353 0.102 20 0 DCADMM CC(C)C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573965398 1163605782 /nfs/dbraw/zinc/60/57/82/1163605782.db2.gz VIIMACQYTLXTJZ-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573965398 1163605785 /nfs/dbraw/zinc/60/57/85/1163605785.db2.gz VIIMACQYTLXTJZ-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)[C@@H](C)C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574003950 1163621279 /nfs/dbraw/zinc/62/12/79/1163621279.db2.gz LUAIJAJMCXMAKZ-NXEZZACHSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@@H](C)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574003950 1163621285 /nfs/dbraw/zinc/62/12/85/1163621285.db2.gz LUAIJAJMCXMAKZ-NXEZZACHSA-N -1 1 318.385 0.865 20 0 DCADMM NC(=O)c1cccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001574259614 1163677922 /nfs/dbraw/zinc/67/79/22/1163677922.db2.gz RJJVAHVXIQXAGJ-LLVKDONJSA-N -1 1 305.334 0.521 20 0 DCADMM C[C@H](CCNC(=O)C1CCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574598668 1163734781 /nfs/dbraw/zinc/73/47/81/1163734781.db2.gz WFFVSAHNYCBLFZ-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CCNC(=O)C1CCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574598668 1163734785 /nfs/dbraw/zinc/73/47/85/1163734785.db2.gz WFFVSAHNYCBLFZ-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNC(=O)C(C)(C)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574588512 1163734908 /nfs/dbraw/zinc/73/49/08/1163734908.db2.gz RYNVBLFZMSHRQN-QMMMGPOBSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@@H](CCNC(=O)C(C)(C)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574588512 1163734911 /nfs/dbraw/zinc/73/49/11/1163734911.db2.gz RYNVBLFZMSHRQN-QMMMGPOBSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C(C)(C)F ZINC001574664183 1163738971 /nfs/dbraw/zinc/73/89/71/1163738971.db2.gz WPOIKKPUOTVPIE-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C(C)(C)F ZINC001574664183 1163738977 /nfs/dbraw/zinc/73/89/77/1163738977.db2.gz WPOIKKPUOTVPIE-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1CC1 ZINC001574794683 1163752993 /nfs/dbraw/zinc/75/29/93/1163752993.db2.gz DIYDCSFNSAZAFL-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1CC1 ZINC001574794683 1163752996 /nfs/dbraw/zinc/75/29/96/1163752996.db2.gz DIYDCSFNSAZAFL-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)C1CCC1 ZINC001574823979 1163761774 /nfs/dbraw/zinc/76/17/74/1163761774.db2.gz JBERWQUSVLACSO-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)C1CCC1 ZINC001574823979 1163761777 /nfs/dbraw/zinc/76/17/77/1163761777.db2.gz JBERWQUSVLACSO-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)[C@H](C)C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574836999 1163766067 /nfs/dbraw/zinc/76/60/67/1163766067.db2.gz LXQJZZRAIRMDPY-UWVGGRQHSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@H](C)C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574836999 1163766071 /nfs/dbraw/zinc/76/60/71/1163766071.db2.gz LXQJZZRAIRMDPY-UWVGGRQHSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574840381 1163767911 /nfs/dbraw/zinc/76/79/11/1163767911.db2.gz JCVFJMRETBULJO-GZMMTYOYSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574840381 1163767917 /nfs/dbraw/zinc/76/79/17/1163767917.db2.gz JCVFJMRETBULJO-GZMMTYOYSA-N -1 1 322.348 0.567 20 0 DCADMM C[C@H](CNC(=O)C1CCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574868270 1163779417 /nfs/dbraw/zinc/77/94/17/1163779417.db2.gz HYYBGAUKKVKALM-SECBINFHSA-N -1 1 316.369 0.185 20 0 DCADMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1nnnn1C1CC1 ZINC001575357814 1163985644 /nfs/dbraw/zinc/98/56/44/1163985644.db2.gz WLXMBBGDQQRLCK-ZCFIWIBFSA-N -1 1 315.297 0.272 20 0 DCADMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1nnnn1C1CC1 ZINC001575357814 1163985647 /nfs/dbraw/zinc/98/56/47/1163985647.db2.gz WLXMBBGDQQRLCK-ZCFIWIBFSA-N -1 1 315.297 0.272 20 0 DCADMM C[C@@H]1OCC[C@@H]1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001575795032 1164154097 /nfs/dbraw/zinc/15/40/97/1164154097.db2.gz QHLQMRYKCUBSSI-QWRGUYRKSA-N -1 1 307.350 0.448 20 0 DCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CC1 ZINC001575939777 1164189233 /nfs/dbraw/zinc/18/92/33/1164189233.db2.gz SDCUARJDEDQITF-SCZZXKLOSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CC1 ZINC001575939777 1164189240 /nfs/dbraw/zinc/18/92/40/1164189240.db2.gz SDCUARJDEDQITF-SCZZXKLOSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001575940124 1164189864 /nfs/dbraw/zinc/18/98/64/1164189864.db2.gz WGINVTUKDPXIEH-JOYOIKCWSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001575940124 1164189869 /nfs/dbraw/zinc/18/98/69/1164189869.db2.gz WGINVTUKDPXIEH-JOYOIKCWSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001576102240 1164240878 /nfs/dbraw/zinc/24/08/78/1164240878.db2.gz ZNHCTIRNFBSCNO-HLTSFMKQSA-N -1 1 318.337 0.574 20 0 DCADMM C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001576102240 1164240882 /nfs/dbraw/zinc/24/08/82/1164240882.db2.gz ZNHCTIRNFBSCNO-HLTSFMKQSA-N -1 1 318.337 0.574 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCN1c1cnccn1 ZINC001576364471 1164316607 /nfs/dbraw/zinc/31/66/07/1164316607.db2.gz LPNXWYMHJBVDPP-SNVBAGLBSA-N -1 1 324.352 0.162 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCN1c1cnccn1 ZINC001576364471 1164316615 /nfs/dbraw/zinc/31/66/15/1164316615.db2.gz LPNXWYMHJBVDPP-SNVBAGLBSA-N -1 1 324.352 0.162 20 0 DCADMM C/C=C\[C@@H](O)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001576405658 1164329236 /nfs/dbraw/zinc/32/92/36/1164329236.db2.gz MGZVYMIEUPYNSL-MXQLGCADSA-N -1 1 309.276 0.698 20 0 DCADMM C/C=C\[C@@H](O)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001576405658 1164329243 /nfs/dbraw/zinc/32/92/43/1164329243.db2.gz MGZVYMIEUPYNSL-MXQLGCADSA-N -1 1 309.276 0.698 20 0 DCADMM CCC(=O)N1CC[C@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001576424344 1164337398 /nfs/dbraw/zinc/33/73/98/1164337398.db2.gz BXCRFAMDTAYLFM-VIFPVBQESA-N -1 1 320.378 0.669 20 0 DCADMM CCC(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001576425497 1164340643 /nfs/dbraw/zinc/34/06/43/1164340643.db2.gz MIEYDWYTCIZTJH-CQSZACIVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001576425497 1164340651 /nfs/dbraw/zinc/34/06/51/1164340651.db2.gz MIEYDWYTCIZTJH-CQSZACIVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576437374 1164341921 /nfs/dbraw/zinc/34/19/21/1164341921.db2.gz CCIRJQZZIXKAGM-CQSZACIVSA-N -1 1 316.369 0.460 20 0 DCADMM CCC(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001576437374 1164341927 /nfs/dbraw/zinc/34/19/27/1164341927.db2.gz CCIRJQZZIXKAGM-CQSZACIVSA-N -1 1 316.369 0.460 20 0 DCADMM CCC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001576438349 1164344032 /nfs/dbraw/zinc/34/40/32/1164344032.db2.gz QJZIHAPCYVMHAZ-SECBINFHSA-N -1 1 318.385 0.431 20 0 DCADMM CCC(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001576471084 1164354209 /nfs/dbraw/zinc/35/42/09/1164354209.db2.gz JREMQXMJBDYTPJ-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001576471084 1164354212 /nfs/dbraw/zinc/35/42/12/1164354212.db2.gz JREMQXMJBDYTPJ-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001576477105 1164358880 /nfs/dbraw/zinc/35/88/80/1164358880.db2.gz CTQDPAZPVQKAKD-KKZNHRDASA-N -1 1 314.353 0.293 20 0 DCADMM CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001576477105 1164358885 /nfs/dbraw/zinc/35/88/85/1164358885.db2.gz CTQDPAZPVQKAKD-KKZNHRDASA-N -1 1 314.353 0.293 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576581209 1164404526 /nfs/dbraw/zinc/40/45/26/1164404526.db2.gz KRHLOJUAPQKCPQ-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576581209 1164404528 /nfs/dbraw/zinc/40/45/28/1164404528.db2.gz KRHLOJUAPQKCPQ-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CCC(CC)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576718644 1164442889 /nfs/dbraw/zinc/44/28/89/1164442889.db2.gz QIZWFMNPUFXLAF-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCC(CC)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576718644 1164442894 /nfs/dbraw/zinc/44/28/94/1164442894.db2.gz QIZWFMNPUFXLAF-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576968881 1164562248 /nfs/dbraw/zinc/56/22/48/1164562248.db2.gz GTUVLWTTXBRHEO-CIUDSAMLSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576968881 1164562257 /nfs/dbraw/zinc/56/22/57/1164562257.db2.gz GTUVLWTTXBRHEO-CIUDSAMLSA-N -1 1 320.332 0.464 20 0 DCADMM CCC1(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001577102066 1164603779 /nfs/dbraw/zinc/60/37/79/1164603779.db2.gz DUGVSYBEXGOINR-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001577102066 1164603786 /nfs/dbraw/zinc/60/37/86/1164603786.db2.gz DUGVSYBEXGOINR-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)N[C@H](C)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001577104834 1164604119 /nfs/dbraw/zinc/60/41/19/1164604119.db2.gz CWMJNSAKKHQGFP-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)N[C@H](C)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001577104834 1164604122 /nfs/dbraw/zinc/60/41/22/1164604122.db2.gz CWMJNSAKKHQGFP-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(C)=O)CC1 ZINC001577120311 1164608139 /nfs/dbraw/zinc/60/81/39/1164608139.db2.gz HFCBJHWIJRJJHR-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(C)=O)CC1 ZINC001577120311 1164608143 /nfs/dbraw/zinc/60/81/43/1164608143.db2.gz HFCBJHWIJRJJHR-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CC/C=C(\C)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001577183126 1164624696 /nfs/dbraw/zinc/62/46/96/1164624696.db2.gz WOCZTIAYWFFQJD-CYNRKNSPSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C=C(\C)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001577183126 1164624703 /nfs/dbraw/zinc/62/47/03/1164624703.db2.gz WOCZTIAYWFFQJD-CYNRKNSPSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C=C(/C)C(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001577181680 1164625475 /nfs/dbraw/zinc/62/54/75/1164625475.db2.gz JEXRZZAWRSEKDW-YHYXMXQVSA-N -1 1 316.369 0.353 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001577186977 1164627654 /nfs/dbraw/zinc/62/76/54/1164627654.db2.gz BIHHGCOHNPJFJB-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001577186977 1164627657 /nfs/dbraw/zinc/62/76/57/1164627657.db2.gz BIHHGCOHNPJFJB-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001577194326 1164629653 /nfs/dbraw/zinc/62/96/53/1164629653.db2.gz JVXFBPZYQQUVEX-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001577194326 1164629656 /nfs/dbraw/zinc/62/96/56/1164629656.db2.gz JVXFBPZYQQUVEX-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001577203338 1164632298 /nfs/dbraw/zinc/63/22/98/1164632298.db2.gz WECGKSDLXKXRBH-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001577203338 1164632306 /nfs/dbraw/zinc/63/23/06/1164632306.db2.gz WECGKSDLXKXRBH-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577216832 1164637809 /nfs/dbraw/zinc/63/78/09/1164637809.db2.gz ZGILTCWKELIKGH-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577216832 1164637812 /nfs/dbraw/zinc/63/78/12/1164637812.db2.gz ZGILTCWKELIKGH-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577216134 1164638938 /nfs/dbraw/zinc/63/89/38/1164638938.db2.gz OBXSHRRUUIIHBO-UHFFFAOYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577216134 1164638945 /nfs/dbraw/zinc/63/89/45/1164638945.db2.gz OBXSHRRUUIIHBO-UHFFFAOYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001577225534 1164643565 /nfs/dbraw/zinc/64/35/65/1164643565.db2.gz SYVPIOIECNRBAE-WOFXILAISA-N -1 1 314.353 0.008 20 0 DCADMM CCCC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001577225534 1164643571 /nfs/dbraw/zinc/64/35/71/1164643571.db2.gz SYVPIOIECNRBAE-WOFXILAISA-N -1 1 314.353 0.008 20 0 DCADMM CCN(c1ccnc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)C(C)C ZINC001578192356 1164947940 /nfs/dbraw/zinc/94/79/40/1164947940.db2.gz JKELISZBHHZIOE-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CCc1nc(N[C@@H]2CCN(C(C)=O)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001578647144 1165077674 /nfs/dbraw/zinc/07/76/74/1165077674.db2.gz YDBZWBJCJHSZQV-WCBMZHEXSA-N -1 1 316.369 0.640 20 0 DCADMM CCc1nc(N[C@@H]2CCN(C(C)=O)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001578647144 1165077680 /nfs/dbraw/zinc/07/76/80/1165077680.db2.gz YDBZWBJCJHSZQV-WCBMZHEXSA-N -1 1 316.369 0.640 20 0 DCADMM CCn1ncc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)n1 ZINC001578820011 1165129591 /nfs/dbraw/zinc/12/95/91/1165129591.db2.gz BGWKZKDWMIEQDC-UHFFFAOYSA-N -1 1 314.313 0.331 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCC[C@H]1O ZINC001578922497 1165160199 /nfs/dbraw/zinc/16/01/99/1165160199.db2.gz LXCVTQLZDCZMNX-VXGBXAGGSA-N -1 1 302.338 0.637 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCC[C@H]1O ZINC001578922497 1165160202 /nfs/dbraw/zinc/16/02/02/1165160202.db2.gz LXCVTQLZDCZMNX-VXGBXAGGSA-N -1 1 302.338 0.637 20 0 DCADMM CN(C)c1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001578997587 1165184162 /nfs/dbraw/zinc/18/41/62/1165184162.db2.gz ATABYWGXHUDQCN-UHFFFAOYSA-N -1 1 324.348 0.904 20 0 DCADMM CN(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)C(C)(C)C ZINC001579148373 1165223949 /nfs/dbraw/zinc/22/39/49/1165223949.db2.gz RTTQRJLFYGOCTP-UHFFFAOYSA-N -1 1 318.385 0.597 20 0 DCADMM CN(CCNC(=O)C1(C)CCC1)c1cncc(-c2nnn[n-]2)n1 ZINC001579161080 1165226875 /nfs/dbraw/zinc/22/68/75/1165226875.db2.gz APHMGLWDCRZAQE-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)C1(C)CCC1)c1cncc(-c2nn[n-]n2)n1 ZINC001579161080 1165226884 /nfs/dbraw/zinc/22/68/84/1165226884.db2.gz APHMGLWDCRZAQE-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM COC(=O)c1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)[nH]1 ZINC001579477178 1165325181 /nfs/dbraw/zinc/32/51/81/1165325181.db2.gz CGTJKQVQSCKJTQ-UHFFFAOYSA-N -1 1 315.293 0.369 20 0 DCADMM COC(=O)c1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)[nH]1 ZINC001579477178 1165325187 /nfs/dbraw/zinc/32/51/87/1165325187.db2.gz CGTJKQVQSCKJTQ-UHFFFAOYSA-N -1 1 315.293 0.369 20 0 DCADMM COC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)nn2)cc1Cl ZINC001579482952 1165328104 /nfs/dbraw/zinc/32/81/04/1165328104.db2.gz SYSMLYRAYDWLFT-UHFFFAOYSA-N -1 1 319.712 0.947 20 0 DCADMM COC(=O)c1csc(Cn2cnc(-c3nn[n-]n3)cc2=O)c1 ZINC001579491228 1165330980 /nfs/dbraw/zinc/33/09/80/1165330980.db2.gz BKBYUQKULSUZRA-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM COC(=O)c1cnc(NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001579490993 1165331706 /nfs/dbraw/zinc/33/17/06/1165331706.db2.gz DZMXZLFXFILZBE-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1cnc(NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001579490993 1165331708 /nfs/dbraw/zinc/33/17/08/1165331708.db2.gz DZMXZLFXFILZBE-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC[C@@]1(C)CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001579740002 1165386525 /nfs/dbraw/zinc/38/65/25/1165386525.db2.gz KDYJTOQGWISNMW-AWEZNQCLSA-N -1 1 302.338 0.760 20 0 DCADMM COC[C@@]1(C)CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001579740002 1165386531 /nfs/dbraw/zinc/38/65/31/1165386531.db2.gz KDYJTOQGWISNMW-AWEZNQCLSA-N -1 1 302.338 0.760 20 0 DCADMM COc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001579984504 1165459583 /nfs/dbraw/zinc/45/95/83/1165459583.db2.gz FZTVQLQNIOPFII-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001579984504 1165459587 /nfs/dbraw/zinc/45/95/87/1165459587.db2.gz FZTVQLQNIOPFII-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1cccnc1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001580087423 1165497707 /nfs/dbraw/zinc/49/77/07/1165497707.db2.gz ZPXPNUDGMKTFKF-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1cccnc1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001580087423 1165497711 /nfs/dbraw/zinc/49/77/11/1165497711.db2.gz ZPXPNUDGMKTFKF-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ccnc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)c1 ZINC001580095021 1165501726 /nfs/dbraw/zinc/50/17/26/1165501726.db2.gz FCHAAISIEWQLPX-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ccnc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)c1 ZINC001580095021 1165501729 /nfs/dbraw/zinc/50/17/29/1165501729.db2.gz FCHAAISIEWQLPX-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ncc(NC(=O)CCn2cccn2)cc1-c1nn[n-]n1 ZINC001580133633 1165512865 /nfs/dbraw/zinc/51/28/65/1165512865.db2.gz STTNBWFEHRNTNN-UHFFFAOYSA-N -1 1 314.309 0.496 20 0 DCADMM C[C@@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)c1ncc[nH]1 ZINC001580307998 1165566531 /nfs/dbraw/zinc/56/65/31/1165566531.db2.gz ALEBIRKVGIUSLF-SSDOTTSWSA-N -1 1 320.338 0.024 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001580369906 1165587084 /nfs/dbraw/zinc/58/70/84/1165587084.db2.gz NZRRHRFLAMPCFH-DOLQZWNJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001580369906 1165587089 /nfs/dbraw/zinc/58/70/89/1165587089.db2.gz NZRRHRFLAMPCFH-DOLQZWNJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1[C@@H](O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001580456766 1165607652 /nfs/dbraw/zinc/60/76/52/1165607652.db2.gz QVYBSXXRZNSRFH-BQBZGAKWSA-N -1 1 315.380 0.072 20 0 DCADMM C[C@H]1[C@@H](O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001580456766 1165607659 /nfs/dbraw/zinc/60/76/59/1165607659.db2.gz QVYBSXXRZNSRFH-BQBZGAKWSA-N -1 1 315.380 0.072 20 0 DCADMM Cc1c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nnn1C(C)C ZINC001580548523 1165634796 /nfs/dbraw/zinc/63/47/96/1165634796.db2.gz SWGQHMOPZRYNIO-UHFFFAOYSA-N -1 1 316.329 0.333 20 0 DCADMM Cc1c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nnn1C(C)C ZINC001580548523 1165634798 /nfs/dbraw/zinc/63/47/98/1165634798.db2.gz SWGQHMOPZRYNIO-UHFFFAOYSA-N -1 1 316.329 0.333 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@H](O)[C@H](C)C1 ZINC001580598546 1165649841 /nfs/dbraw/zinc/64/98/41/1165649841.db2.gz YYFLRJNYRFVFQI-SCZZXKLOSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC001580601296 1165651667 /nfs/dbraw/zinc/65/16/67/1165651667.db2.gz UXSLJMPUOJOGFT-DTWKUNHWSA-N -1 1 318.337 0.431 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC(C)(C)CCO ZINC001580600934 1165651949 /nfs/dbraw/zinc/65/19/49/1165651949.db2.gz RSFSTXCTLIVBJR-UHFFFAOYSA-N -1 1 306.326 0.167 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](CO)C1CCC1 ZINC001580604231 1165652683 /nfs/dbraw/zinc/65/26/83/1165652683.db2.gz ZXXKMECZFFRGNI-SNVBAGLBSA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H]1CCCCO1 ZINC001580605000 1165654741 /nfs/dbraw/zinc/65/47/41/1165654741.db2.gz VUGUPAQPWMZFBZ-VIFPVBQESA-N -1 1 318.337 0.575 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)[C@@H]2C[C@H]2C)n1 ZINC001580696442 1165689705 /nfs/dbraw/zinc/68/97/05/1165689705.db2.gz WGQGORFRMBMFCQ-SZEHBUNVSA-N -1 1 316.369 0.538 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)[C@@H]2C[C@H]2C)n1 ZINC001580696442 1165689710 /nfs/dbraw/zinc/68/97/10/1165689710.db2.gz WGQGORFRMBMFCQ-SZEHBUNVSA-N -1 1 316.369 0.538 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CNC(=O)C2CCC2)n1 ZINC001580696744 1165689855 /nfs/dbraw/zinc/68/98/55/1165689855.db2.gz XVKLXOBSOQWECR-VIFPVBQESA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CNC(=O)C2CCC2)n1 ZINC001580696744 1165689858 /nfs/dbraw/zinc/68/98/58/1165689858.db2.gz XVKLXOBSOQWECR-VIFPVBQESA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)CNC(=O)C2CC2)n1 ZINC001580717474 1165696294 /nfs/dbraw/zinc/69/62/94/1165696294.db2.gz UXLPDMQNAKTMRD-QMMMGPOBSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)CNC(=O)C2CC2)n1 ZINC001580717474 1165696302 /nfs/dbraw/zinc/69/63/02/1165696302.db2.gz UXLPDMQNAKTMRD-QMMMGPOBSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1ccc(O)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001581209329 1165796874 /nfs/dbraw/zinc/79/68/74/1165796874.db2.gz BXWAZTQHSBVTNR-UHFFFAOYSA-N -1 1 300.282 0.111 20 0 DCADMM Cc1cccnc1CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001581264792 1165806714 /nfs/dbraw/zinc/80/67/14/1165806714.db2.gz HXWFTFGCANQKIY-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1cccnc1CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001581264792 1165806720 /nfs/dbraw/zinc/80/67/20/1165806720.db2.gz HXWFTFGCANQKIY-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCN(CC(C)(F)F)CC2)n1 ZINC001581411198 1165823890 /nfs/dbraw/zinc/82/38/90/1165823890.db2.gz OWCXADWCZQSKTH-UHFFFAOYSA-N -1 1 324.339 0.742 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCN(CC(C)(F)F)CC2)n1 ZINC001581411198 1165823894 /nfs/dbraw/zinc/82/38/94/1165823894.db2.gz OWCXADWCZQSKTH-UHFFFAOYSA-N -1 1 324.339 0.742 20 0 DCADMM Cc1nn(C)cc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581599095 1165847282 /nfs/dbraw/zinc/84/72/82/1165847282.db2.gz VLBNLIILPUWCGZ-UHFFFAOYSA-N -1 1 303.351 0.900 20 0 DCADMM Cc1nsc(NC(=O)C[C@H]2CCCC(=O)N2)c1-c1nnn[n-]1 ZINC001581683762 1165857444 /nfs/dbraw/zinc/85/74/44/1165857444.db2.gz MXAIRTBGANQXEY-SSDOTTSWSA-N -1 1 321.366 0.629 20 0 DCADMM Cc1nsc(NC(=O)C[C@H]2CCCC(=O)N2)c1-c1nn[n-]n1 ZINC001581683762 1165857456 /nfs/dbraw/zinc/85/74/56/1165857456.db2.gz MXAIRTBGANQXEY-SSDOTTSWSA-N -1 1 321.366 0.629 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)c1-c1nnn[n-]1 ZINC001581738876 1165861695 /nfs/dbraw/zinc/86/16/95/1165861695.db2.gz FOCJTDKZOUANFR-MRTMQBJTSA-N -1 1 320.353 0.635 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)c1-c1nn[n-]n1 ZINC001581738876 1165861701 /nfs/dbraw/zinc/86/17/01/1165861701.db2.gz FOCJTDKZOUANFR-MRTMQBJTSA-N -1 1 320.353 0.635 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)c3cc(-c4nn[nH]n4)ccn3)ccnc1-2 ZINC001581746694 1165864680 /nfs/dbraw/zinc/86/46/80/1165864680.db2.gz JPCYSTCZDDPEPP-UHFFFAOYSA-N -1 1 321.304 0.169 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC001581754515 1165868114 /nfs/dbraw/zinc/86/81/14/1165868114.db2.gz BBVQDLRRKFVXBG-UHFFFAOYSA-N -1 1 313.277 0.581 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC001581754515 1165868119 /nfs/dbraw/zinc/86/81/19/1165868119.db2.gz BBVQDLRRKFVXBG-UHFFFAOYSA-N -1 1 313.277 0.581 20 0 DCADMM Cn1ccc(C(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)c1 ZINC001581776925 1165874769 /nfs/dbraw/zinc/87/47/69/1165874769.db2.gz CAOIQYWJJUUHTM-UHFFFAOYSA-N -1 1 324.344 0.739 20 0 DCADMM O=C(CCCF)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001582045736 1165944429 /nfs/dbraw/zinc/94/44/29/1165944429.db2.gz FBWWBVZVJZRCNM-UHFFFAOYSA-N -1 1 308.321 0.325 20 0 DCADMM O=C(CCCF)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001582045736 1165944438 /nfs/dbraw/zinc/94/44/38/1165944438.db2.gz FBWWBVZVJZRCNM-UHFFFAOYSA-N -1 1 308.321 0.325 20 0 DCADMM O=C(CCCF)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001582045159 1165944609 /nfs/dbraw/zinc/94/46/09/1165944609.db2.gz MZXCQVJBJHNAFU-UHFFFAOYSA-N -1 1 320.332 0.467 20 0 DCADMM O=C(CCCF)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001582045159 1165944612 /nfs/dbraw/zinc/94/46/12/1165944612.db2.gz MZXCQVJBJHNAFU-UHFFFAOYSA-N -1 1 320.332 0.467 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NN1C[C@H]2CCC[C@@H]2C1 ZINC001582139640 1165967123 /nfs/dbraw/zinc/96/71/23/1165967123.db2.gz ZJLJVLDDIJWARQ-VXGBXAGGSA-N -1 1 313.365 0.567 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NN1C[C@H]2CCC[C@@H]2C1 ZINC001582139640 1165967130 /nfs/dbraw/zinc/96/71/30/1165967130.db2.gz ZJLJVLDDIJWARQ-VXGBXAGGSA-N -1 1 313.365 0.567 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1cccc(CO)c1 ZINC001582139172 1165967806 /nfs/dbraw/zinc/96/78/06/1165967806.db2.gz QIJCXIYQGVESBD-UHFFFAOYSA-N -1 1 324.344 0.613 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1cccc(CO)c1 ZINC001582139172 1165967811 /nfs/dbraw/zinc/96/78/11/1165967811.db2.gz QIJCXIYQGVESBD-UHFFFAOYSA-N -1 1 324.344 0.613 20 0 DCADMM O=C(Cn1cc(Cl)cn1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582189072 1165979081 /nfs/dbraw/zinc/97/90/81/1165979081.db2.gz AESJQYCILWUIPX-UHFFFAOYSA-N -1 1 318.728 0.428 20 0 DCADMM O=C(Cn1cc(Cl)cn1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582189072 1165979088 /nfs/dbraw/zinc/97/90/88/1165979088.db2.gz AESJQYCILWUIPX-UHFFFAOYSA-N -1 1 318.728 0.428 20 0 DCADMM O=C(Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1)NCC1CC1 ZINC001582207347 1165983512 /nfs/dbraw/zinc/98/35/12/1165983512.db2.gz LJFFRWGRXMMWTI-UHFFFAOYSA-N -1 1 324.348 0.651 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1ccc(-c2nnn[n-]2)s1 ZINC001582232611 1165988367 /nfs/dbraw/zinc/98/83/67/1165988367.db2.gz OBDLGLKEXGVWNW-VIFPVBQESA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1ccc(-c2nn[n-]n2)s1 ZINC001582232611 1165988372 /nfs/dbraw/zinc/98/83/72/1165988372.db2.gz OBDLGLKEXGVWNW-VIFPVBQESA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cnn(C(F)F)c1 ZINC001582554274 1166041465 /nfs/dbraw/zinc/04/14/65/1166041465.db2.gz FTFGMEIQCALUDI-UHFFFAOYSA-N -1 1 320.263 0.783 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cnn(C(F)F)c1 ZINC001582554274 1166041471 /nfs/dbraw/zinc/04/14/71/1166041471.db2.gz FTFGMEIQCALUDI-UHFFFAOYSA-N -1 1 320.263 0.783 20 0 DCADMM O=C(NCc1nc(C(F)F)no1)c1ccc(-c2nnn[n-]2)o1 ZINC001582561253 1166046281 /nfs/dbraw/zinc/04/62/81/1166046281.db2.gz VIZFOYJECHIJLU-UHFFFAOYSA-N -1 1 311.208 0.710 20 0 DCADMM O=C(NCc1nc(C(F)F)no1)c1ccc(-c2nn[n-]n2)o1 ZINC001582561253 1166046287 /nfs/dbraw/zinc/04/62/87/1166046287.db2.gz VIZFOYJECHIJLU-UHFFFAOYSA-N -1 1 311.208 0.710 20 0 DCADMM O=C(Nc1ncc2c(c1-c1nn[n-]n1)COCC2)c1cccnn1 ZINC001582653734 1166062177 /nfs/dbraw/zinc/06/21/77/1166062177.db2.gz VYHCBWYILLWNAY-UHFFFAOYSA-N -1 1 324.304 0.377 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H](c2ncccn2)C1 ZINC001582708150 1166068494 /nfs/dbraw/zinc/06/84/94/1166068494.db2.gz DQHXTGRGZKNJGU-JTQLQIEISA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H](c2ncccn2)C1 ZINC001582708150 1166068501 /nfs/dbraw/zinc/06/85/01/1166068501.db2.gz DQHXTGRGZKNJGU-JTQLQIEISA-N -1 1 322.332 0.681 20 0 DCADMM O=C1CN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](c2ccccc2)CN1 ZINC001582777416 1166079599 /nfs/dbraw/zinc/07/95/99/1166079599.db2.gz VUWSQZJOMYJGRV-LLVKDONJSA-N -1 1 322.332 0.334 20 0 DCADMM O=S1(=O)N=C(Cn2ccnc2-c2nnn[n-]2)c2ccccc21 ZINC001582801634 1166086180 /nfs/dbraw/zinc/08/61/80/1166086180.db2.gz CANWLQFFRJEQTR-UHFFFAOYSA-N -1 1 315.318 0.255 20 0 DCADMM O=S1(=O)N=C(Cn2ccnc2-c2nn[n-]n2)c2ccccc21 ZINC001582801634 1166086186 /nfs/dbraw/zinc/08/61/86/1166086186.db2.gz CANWLQFFRJEQTR-UHFFFAOYSA-N -1 1 315.318 0.255 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CCSc1ccccc1 ZINC001582806175 1166087068 /nfs/dbraw/zinc/08/70/68/1166087068.db2.gz FYYSNZQSZCIKKI-UHFFFAOYSA-N -1 1 316.346 0.921 20 0 DCADMM O[C@H](CNc1ccnc(-c2nnn[n-]2)c1)Cc1ccc(F)cc1 ZINC001582809446 1166088242 /nfs/dbraw/zinc/08/82/42/1166088242.db2.gz KEDGIQRAPJSGAT-ZDUSSCGKSA-N -1 1 314.324 0.838 20 0 DCADMM O[C@H](CNc1ccnc(-c2nn[n-]n2)c1)Cc1ccc(F)cc1 ZINC001582809446 1166088249 /nfs/dbraw/zinc/08/82/49/1166088249.db2.gz KEDGIQRAPJSGAT-ZDUSSCGKSA-N -1 1 314.324 0.838 20 0 DCADMM O[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@@H]1O ZINC001582814261 1166093852 /nfs/dbraw/zinc/09/38/52/1166093852.db2.gz BUWWKBVEVGCAII-GDPRMGEGSA-N -1 1 317.353 0.220 20 0 DCADMM O[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@@H]1O ZINC001582814261 1166093858 /nfs/dbraw/zinc/09/38/58/1166093858.db2.gz BUWWKBVEVGCAII-GDPRMGEGSA-N -1 1 317.353 0.220 20 0 DCADMM O=c1cc(Cn2cc(-c3nn[n-]n3)nn2)nc(-c2ccccc2)[nH]1 ZINC001582815909 1166096927 /nfs/dbraw/zinc/09/69/27/1166096927.db2.gz FEHRCWILZCTMBW-UHFFFAOYSA-N -1 1 321.304 0.669 20 0 DCADMM COc1ccc(NC(=O)c2n[nH]c(C)c2[O-])cc1-n1cnnn1 ZINC001587179949 1166505962 /nfs/dbraw/zinc/50/59/62/1166505962.db2.gz AFIYGXHIYDAWTP-UHFFFAOYSA-N -1 1 315.293 0.660 20 0 DCADMM CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nn[n-]n1 ZINC001587492938 1166507890 /nfs/dbraw/zinc/50/78/90/1166507890.db2.gz UFNBDUJYXSEELA-UHFFFAOYSA-N -1 1 313.321 0.440 20 0 DCADMM CCC[C@@H](NC(=O)c1ccc(Cn2ccnn2)o1)c1nn[n-]n1 ZINC001587597914 1166508804 /nfs/dbraw/zinc/50/88/04/1166508804.db2.gz MGFHZKTVQSYNEG-SNVBAGLBSA-N -1 1 316.325 0.704 20 0 DCADMM CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001588810619 1166594015 /nfs/dbraw/zinc/59/40/15/1166594015.db2.gz BCKHHWXGJXIQTM-GXSJLCMTSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588810619 1166594019 /nfs/dbraw/zinc/59/40/19/1166594019.db2.gz BCKHHWXGJXIQTM-GXSJLCMTSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001588810723 1166595871 /nfs/dbraw/zinc/59/58/71/1166595871.db2.gz HFHQFBUETIGYIR-UHFFFAOYSA-N -1 1 318.337 0.448 20 0 DCADMM CC(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001588810723 1166595877 /nfs/dbraw/zinc/59/58/77/1166595877.db2.gz HFHQFBUETIGYIR-UHFFFAOYSA-N -1 1 318.337 0.448 20 0 DCADMM CC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001588815882 1166596887 /nfs/dbraw/zinc/59/68/87/1166596887.db2.gz HQPZRUAYPVKLGF-CQSZACIVSA-N -1 1 314.353 0.105 20 0 DCADMM CC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001588815882 1166596893 /nfs/dbraw/zinc/59/68/93/1166596893.db2.gz HQPZRUAYPVKLGF-CQSZACIVSA-N -1 1 314.353 0.105 20 0 DCADMM CC(=O)N1CC[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001588824297 1166600132 /nfs/dbraw/zinc/60/01/32/1166600132.db2.gz FGJYZMGMAXTHNL-MRVPVSSYSA-N -1 1 306.351 0.279 20 0 DCADMM CC(=O)N1CC[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001588824297 1166600140 /nfs/dbraw/zinc/60/01/40/1166600140.db2.gz FGJYZMGMAXTHNL-MRVPVSSYSA-N -1 1 306.351 0.279 20 0 DCADMM CC(=O)N1CCN(Cc2nc(-c3nnn[n-]3)cs2)C(C)(C)C1 ZINC001588824574 1166601072 /nfs/dbraw/zinc/60/10/72/1166601072.db2.gz SAQGPUMIUHXWAL-UHFFFAOYSA-N -1 1 321.410 0.766 20 0 DCADMM CC(=O)N1CCN(Cc2nc(-c3nn[n-]n3)cs2)C(C)(C)C1 ZINC001588824574 1166601079 /nfs/dbraw/zinc/60/10/79/1166601079.db2.gz SAQGPUMIUHXWAL-UHFFFAOYSA-N -1 1 321.410 0.766 20 0 DCADMM CC(=O)N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588840028 1166604142 /nfs/dbraw/zinc/60/41/42/1166604142.db2.gz KPGRJTVVAAPYJU-GHMZBOCLSA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588840028 1166604147 /nfs/dbraw/zinc/60/41/47/1166604147.db2.gz KPGRJTVVAAPYJU-GHMZBOCLSA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)NC1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588840207 1166605609 /nfs/dbraw/zinc/60/56/09/1166605609.db2.gz RAMYSAUDYPHZMR-UHFFFAOYSA-N -1 1 316.369 0.540 20 0 DCADMM CC(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588840166 1166607070 /nfs/dbraw/zinc/60/70/70/1166607070.db2.gz OOLBSIKVHZXPPY-UHFFFAOYSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588840166 1166607076 /nfs/dbraw/zinc/60/70/76/1166607076.db2.gz OOLBSIKVHZXPPY-UHFFFAOYSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)NC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001588855729 1166609307 /nfs/dbraw/zinc/60/93/07/1166609307.db2.gz YLNSIHICBIOKTG-JTQLQIEISA-N -1 1 302.342 0.009 20 0 DCADMM CC(=O)NC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001588855729 1166609311 /nfs/dbraw/zinc/60/93/11/1166609311.db2.gz YLNSIHICBIOKTG-JTQLQIEISA-N -1 1 302.342 0.009 20 0 DCADMM CC(=O)N[C@@H](C(=O)OCc1nc(-c2nnn[n-]2)cs1)C(C)C ZINC001588868232 1166613936 /nfs/dbraw/zinc/61/39/36/1166613936.db2.gz IBXTVSKWJLBICH-SNVBAGLBSA-N -1 1 324.366 0.527 20 0 DCADMM CC(=O)N[C@@H](C(=O)OCc1nc(-c2nn[n-]n2)cs1)C(C)C ZINC001588868232 1166613940 /nfs/dbraw/zinc/61/39/40/1166613940.db2.gz IBXTVSKWJLBICH-SNVBAGLBSA-N -1 1 324.366 0.527 20 0 DCADMM C[C@H](C(=O)N1CC[C@@H]1C1CCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951644 1166622532 /nfs/dbraw/zinc/62/25/32/1166622532.db2.gz IIEIIBXOQBIQEA-MWLCHTKSSA-N -1 1 316.369 0.810 20 0 DCADMM C[C@@H](C(=O)NC1(C(F)(F)F)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588971560 1166623735 /nfs/dbraw/zinc/62/37/35/1166623735.db2.gz ZSTQARXZDOTFAL-YFKPBYRVSA-N -1 1 316.247 0.230 20 0 DCADMM C[C@H](C(=O)NC1(C(F)(F)F)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588971559 1166625297 /nfs/dbraw/zinc/62/52/97/1166625297.db2.gz ZSTQARXZDOTFAL-RXMQYKEDSA-N -1 1 316.247 0.230 20 0 DCADMM C[C@@H](C(=O)NCc1cccs1)n1cnc(-c2nn[n-]n2)n1 ZINC001588998906 1166626475 /nfs/dbraw/zinc/62/64/75/1166626475.db2.gz HBIYERBFXPNJGF-ZETCQYMHSA-N -1 1 304.339 0.397 20 0 DCADMM CC(C(=O)NCCNc1ccnc(-c2nn[n-]n2)n1)=C1CCC1 ZINC001588992541 1166626899 /nfs/dbraw/zinc/62/68/99/1166626899.db2.gz UZKZQSVKKDAWQD-UHFFFAOYSA-N -1 1 314.353 0.107 20 0 DCADMM C[C@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001589025119 1166628362 /nfs/dbraw/zinc/62/83/62/1166628362.db2.gz KYBCYDHQWKYZIC-LURJTMIESA-N -1 1 304.339 0.799 20 0 DCADMM C[C@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001589025119 1166628370 /nfs/dbraw/zinc/62/83/70/1166628370.db2.gz KYBCYDHQWKYZIC-LURJTMIESA-N -1 1 304.339 0.799 20 0 DCADMM C[C@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)n1cccn1 ZINC001589012614 1166628610 /nfs/dbraw/zinc/62/86/10/1166628610.db2.gz YRHVQCUPFZQORG-SSDOTTSWSA-N -1 1 313.325 0.863 20 0 DCADMM C[C@H](C(=O)Nc1n[nH]cc1C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589022032 1166628886 /nfs/dbraw/zinc/62/88/86/1166628886.db2.gz USRCMQBMSURYOH-ZCFIWIBFSA-N -1 1 314.313 0.258 20 0 DCADMM C[C@@H](C(=O)OCc1ccc(F)cn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589030168 1166631381 /nfs/dbraw/zinc/63/13/81/1166631381.db2.gz LGJGRSXRBGTFDV-ZETCQYMHSA-N -1 1 318.272 0.297 20 0 DCADMM CC(C)(NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C1CC1 ZINC001589324682 1166647541 /nfs/dbraw/zinc/64/75/41/1166647541.db2.gz OIMYRLBWOUIVCH-UHFFFAOYSA-N -1 1 308.367 0.729 20 0 DCADMM CC(C)[C@@H](O)CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001589479256 1166661688 /nfs/dbraw/zinc/66/16/88/1166661688.db2.gz AOPBPYKXILMARO-LBPRGKRZSA-N -1 1 303.366 0.924 20 0 DCADMM CC(C)[C@H]1C[C@H](C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC001589500026 1166662683 /nfs/dbraw/zinc/66/26/83/1166662683.db2.gz VUXVXPZKQFPRGW-MWLCHTKSSA-N -1 1 319.369 0.990 20 0 DCADMM CC(C)[C@H]1C[C@H](C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC001589500026 1166662691 /nfs/dbraw/zinc/66/26/91/1166662691.db2.gz VUXVXPZKQFPRGW-MWLCHTKSSA-N -1 1 319.369 0.990 20 0 DCADMM CC(C)C[C@H](C(N)=O)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001589541950 1166665098 /nfs/dbraw/zinc/66/50/98/1166665098.db2.gz OJDWCAQHAYUACS-SNVBAGLBSA-N -1 1 318.337 0.453 20 0 DCADMM CC(C)C[C@H](C(N)=O)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001589541950 1166665104 /nfs/dbraw/zinc/66/51/04/1166665104.db2.gz OJDWCAQHAYUACS-SNVBAGLBSA-N -1 1 318.337 0.453 20 0 DCADMM CC(C)NC(=O)Cc1noc(-c2ccc(-c3nn[n-]n3)o2)n1 ZINC001589721787 1166676291 /nfs/dbraw/zinc/67/62/91/1166676291.db2.gz VIXWXUZNWAHPKC-UHFFFAOYSA-N -1 1 303.282 0.577 20 0 DCADMM CC(C)O[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001589738435 1166681840 /nfs/dbraw/zinc/68/18/40/1166681840.db2.gz WGQVQKBYKFFUPH-CYBMUJFWSA-N -1 1 305.342 0.653 20 0 DCADMM CC(C)O[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001589738435 1166681841 /nfs/dbraw/zinc/68/18/41/1166681841.db2.gz WGQVQKBYKFFUPH-CYBMUJFWSA-N -1 1 305.342 0.653 20 0 DCADMM CC(C)[C@@H](CO)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589762874 1166683793 /nfs/dbraw/zinc/68/37/93/1166683793.db2.gz BYGXOYDQQGXIFI-SECBINFHSA-N -1 1 310.383 0.744 20 0 DCADMM CC(C)n1nnc(NC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001589785572 1166688786 /nfs/dbraw/zinc/68/87/86/1166688786.db2.gz LHRJXYJBXCQULI-UHFFFAOYSA-N -1 1 305.327 0.748 20 0 DCADMM C[C@H](CCC1CC1)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589806596 1166691227 /nfs/dbraw/zinc/69/12/27/1166691227.db2.gz XALJGCYOZXBRMI-SECBINFHSA-N -1 1 319.373 0.336 20 0 DCADMM C[C@@H](CCCO)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589820761 1166693441 /nfs/dbraw/zinc/69/34/41/1166693441.db2.gz MCMFAPZDXKVGKQ-JTQLQIEISA-N -1 1 304.354 0.329 20 0 DCADMM C[C@@H](CCCO)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589820761 1166693446 /nfs/dbraw/zinc/69/34/46/1166693446.db2.gz MCMFAPZDXKVGKQ-JTQLQIEISA-N -1 1 304.354 0.329 20 0 DCADMM C[C@@H](CN1CCOCC1)OC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589847706 1166698051 /nfs/dbraw/zinc/69/80/51/1166698051.db2.gz KISGDWHUDRVJFN-VIFPVBQESA-N -1 1 323.378 0.806 20 0 DCADMM C[C@@H](CN1CCOCC1)OC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589847706 1166698054 /nfs/dbraw/zinc/69/80/54/1166698054.db2.gz KISGDWHUDRVJFN-VIFPVBQESA-N -1 1 323.378 0.806 20 0 DCADMM C[C@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)c1nncn1C ZINC001589868059 1166701748 /nfs/dbraw/zinc/70/17/48/1166701748.db2.gz JIFPQFMUARTYPQ-SSDOTTSWSA-N -1 1 318.366 0.590 20 0 DCADMM C[C@@H](Cn1cccn1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589904194 1166714142 /nfs/dbraw/zinc/71/41/42/1166714142.db2.gz PCTZNIBEXPKVJB-QMMMGPOBSA-N -1 1 303.351 0.943 20 0 DCADMM C[C@@H](Cn1cccn1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589904194 1166714149 /nfs/dbraw/zinc/71/41/49/1166714149.db2.gz PCTZNIBEXPKVJB-QMMMGPOBSA-N -1 1 303.351 0.943 20 0 DCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(=O)N1CCCC[C@@H]1C ZINC001589986110 1166734879 /nfs/dbraw/zinc/73/48/79/1166734879.db2.gz XIMUECRYFQDMAP-VHSXEESVSA-N -1 1 316.369 0.280 20 0 DCADMM C[C@@H](O)C1(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CC1 ZINC001589998164 1166745893 /nfs/dbraw/zinc/74/58/93/1166745893.db2.gz WOBSAAIFFHGFON-MRVPVSSYSA-N -1 1 312.333 0.991 20 0 DCADMM C[C@H](OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(=O)C(C)(C)C ZINC001590003453 1166749373 /nfs/dbraw/zinc/74/93/73/1166749373.db2.gz APANBEKUNWDPFA-YUMQZZPRSA-N -1 1 321.341 0.566 20 0 DCADMM C[C@H](c1nc(Cc2ccccn2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590053224 1166760095 /nfs/dbraw/zinc/76/00/95/1166760095.db2.gz HHKBOXMYITVYNY-MRVPVSSYSA-N -1 1 324.308 0.436 20 0 DCADMM CC1(C(=O)NCCNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001590069490 1166763426 /nfs/dbraw/zinc/76/34/26/1166763426.db2.gz AQNVSIXWTIGJGP-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC1(C(=O)NCCNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001590069490 1166763432 /nfs/dbraw/zinc/76/34/32/1166763432.db2.gz AQNVSIXWTIGJGP-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM C[C@@]1(C(F)F)CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001590074600 1166766611 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CC1(CCNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)OCCO1 ZINC001590126481 1166781774 /nfs/dbraw/zinc/78/17/74/1166781774.db2.gz CZBCZKXWIJWSBA-UHFFFAOYSA-N -1 1 319.325 0.536 20 0 DCADMM CC1(CCNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)OCCO1 ZINC001590126481 1166781780 /nfs/dbraw/zinc/78/17/80/1166781780.db2.gz CZBCZKXWIJWSBA-UHFFFAOYSA-N -1 1 319.325 0.536 20 0 DCADMM C[C@]1(C2CC2)COCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590122093 1166781926 /nfs/dbraw/zinc/78/19/26/1166781926.db2.gz MWUJIHSWUKSZJB-OAHLLOKOSA-N -1 1 314.349 0.903 20 0 DCADMM C[C@]1(C2CC2)COCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590122093 1166781933 /nfs/dbraw/zinc/78/19/33/1166781933.db2.gz MWUJIHSWUKSZJB-OAHLLOKOSA-N -1 1 314.349 0.903 20 0 DCADMM C[C@@]1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCO1 ZINC001590132986 1166784518 /nfs/dbraw/zinc/78/45/18/1166784518.db2.gz XRAOKXZVANNNAX-AWEZNQCLSA-N -1 1 302.338 0.951 20 0 DCADMM C[C@@]1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCO1 ZINC001590132986 1166784528 /nfs/dbraw/zinc/78/45/28/1166784528.db2.gz XRAOKXZVANNNAX-AWEZNQCLSA-N -1 1 302.338 0.951 20 0 DCADMM C[C@]1(NC(=O)c2cccc(-c3nnn[n-]3)n2)CCO[C@@H]1C1CC1 ZINC001590145736 1166790854 /nfs/dbraw/zinc/79/08/54/1166790854.db2.gz QTEVLTRYPXPPKG-DOMZBBRYSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@]1(NC(=O)c2cccc(-c3nn[n-]n3)n2)CCO[C@@H]1C1CC1 ZINC001590145736 1166790858 /nfs/dbraw/zinc/79/08/58/1166790858.db2.gz QTEVLTRYPXPPKG-DOMZBBRYSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590167062 1166794382 /nfs/dbraw/zinc/79/43/82/1166794382.db2.gz JZSLUANFHLWILA-JSJLHDGCSA-N -1 1 309.351 0.441 20 0 DCADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590167062 1166794397 /nfs/dbraw/zinc/79/43/97/1166794397.db2.gz JZSLUANFHLWILA-JSJLHDGCSA-N -1 1 309.351 0.441 20 0 DCADMM C[C@H]1C[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001590183298 1166803337 /nfs/dbraw/zinc/80/33/37/1166803337.db2.gz HTQVZQPAGZBNJT-JGVFFNPUSA-N -1 1 308.367 0.755 20 0 DCADMM C[C@H]1C[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001590183298 1166803340 /nfs/dbraw/zinc/80/33/40/1166803340.db2.gz HTQVZQPAGZBNJT-JGVFFNPUSA-N -1 1 308.367 0.755 20 0 DCADMM C[C@H](C(=O)NC[C@@H]1CCC[C@@H](C)O1)n1cnc(-c2nn[n-]n2)n1 ZINC001590245493 1166826424 /nfs/dbraw/zinc/82/64/24/1166826424.db2.gz YWDHOYXRWNMFRD-BBBLOLIVSA-N -1 1 320.357 0.093 20 0 DCADMM C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC[S@]1=O ZINC001590270442 1166831984 /nfs/dbraw/zinc/83/19/84/1166831984.db2.gz WXSJXDRESAISDF-IJSAXESFSA-N -1 1 309.351 0.443 20 0 DCADMM C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC[S@]1=O ZINC001590270442 1166831988 /nfs/dbraw/zinc/83/19/88/1166831988.db2.gz WXSJXDRESAISDF-IJSAXESFSA-N -1 1 309.351 0.443 20 0 DCADMM C[C@@H]1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC[S@]1=O ZINC001590272727 1166835096 /nfs/dbraw/zinc/83/50/96/1166835096.db2.gz RCUWWOQNTNUEDR-ZPWHCFADSA-N -1 1 312.424 0.666 20 0 DCADMM C[C@@H]1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC[S@]1=O ZINC001590272727 1166835098 /nfs/dbraw/zinc/83/50/98/1166835098.db2.gz RCUWWOQNTNUEDR-ZPWHCFADSA-N -1 1 312.424 0.666 20 0 DCADMM C[C@@H]1CCOCCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590279415 1166839887 /nfs/dbraw/zinc/83/98/87/1166839887.db2.gz YZOQJANLZXHELU-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM C[C@@H]1CCOCCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590279415 1166839891 /nfs/dbraw/zinc/83/98/91/1166839891.db2.gz YZOQJANLZXHELU-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM C[C@H]1CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC[C@H]1O ZINC001590290965 1166842542 /nfs/dbraw/zinc/84/25/42/1166842542.db2.gz LMOHZELVDNNXQT-IONNQARKSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@H]1CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC[C@H]1O ZINC001590290965 1166842547 /nfs/dbraw/zinc/84/25/47/1166842547.db2.gz LMOHZELVDNNXQT-IONNQARKSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@]1(C)CO ZINC001590294026 1166843738 /nfs/dbraw/zinc/84/37/38/1166843738.db2.gz JWPPUFKCSQXUNO-ISVAXAHUSA-N -1 1 320.357 0.082 20 0 DCADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@]1(C)CO ZINC001590294026 1166843744 /nfs/dbraw/zinc/84/37/44/1166843744.db2.gz JWPPUFKCSQXUNO-ISVAXAHUSA-N -1 1 320.357 0.082 20 0 DCADMM C[C@@H]1CN(C)C(=O)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001590304473 1166852919 /nfs/dbraw/zinc/85/29/19/1166852919.db2.gz RICXTCSAMOFHKV-RXMQYKEDSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@@H]1CN(C)C(=O)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001590304473 1166852922 /nfs/dbraw/zinc/85/29/22/1166852922.db2.gz RICXTCSAMOFHKV-RXMQYKEDSA-N -1 1 313.774 0.644 20 0 DCADMM C/C=C(\C)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590341425 1166876410 /nfs/dbraw/zinc/87/64/10/1166876410.db2.gz GJKVHNKPRNAGPR-RZCNENHTSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(\C)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590341425 1166876417 /nfs/dbraw/zinc/87/64/17/1166876417.db2.gz GJKVHNKPRNAGPR-RZCNENHTSA-N -1 1 314.353 0.636 20 0 DCADMM CC=C(C=CC(=O)NCCn1cnc(-c2nn[n-]n2)n1)CC ZINC001590350338 1166879334 /nfs/dbraw/zinc/87/93/34/1166879334.db2.gz 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CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001590365739 1166889146 /nfs/dbraw/zinc/88/91/46/1166889146.db2.gz KPQMHKCMFHUWON-IEBDPFPHSA-N -1 1 314.353 0.293 20 0 DCADMM CCC(=O)NC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590364298 1166890501 /nfs/dbraw/zinc/89/05/01/1166890501.db2.gz TYQHVJYWZCTYLT-MRVPVSSYSA-N -1 1 304.358 0.546 20 0 DCADMM CCC(=O)NC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590364298 1166890503 /nfs/dbraw/zinc/89/05/03/1166890503.db2.gz TYQHVJYWZCTYLT-MRVPVSSYSA-N -1 1 304.358 0.546 20 0 DCADMM CCC(C)(C)CC(=O)NCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590375365 1166891352 /nfs/dbraw/zinc/89/13/52/1166891352.db2.gz IJHCTKUHCBDMEU-UHFFFAOYSA-N -1 1 318.385 0.433 20 0 DCADMM CC[C@](C)(NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001590382023 1166895979 /nfs/dbraw/zinc/89/59/79/1166895979.db2.gz KXHNAEZJHQRGMD-AWEZNQCLSA-N -1 1 318.337 0.262 20 0 DCADMM CC[C@](C)(NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC001590382023 1166895986 /nfs/dbraw/zinc/89/59/86/1166895986.db2.gz 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304.310 0.119 20 0 DCADMM CC[C@@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001590513126 1166931377 /nfs/dbraw/zinc/93/13/77/1166931377.db2.gz OJDYXGNDCLILPM-NXEZZACHSA-N -1 1 304.358 0.668 20 0 DCADMM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590524740 1166933140 /nfs/dbraw/zinc/93/31/40/1166933140.db2.gz RZTAJSZAISFDLH-NXEZZACHSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590524740 1166933143 /nfs/dbraw/zinc/93/31/43/1166933143.db2.gz RZTAJSZAISFDLH-NXEZZACHSA-N -1 1 302.338 0.901 20 0 DCADMM CCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001590536310 1166936112 /nfs/dbraw/zinc/93/61/12/1166936112.db2.gz BTZATNOTZYPLPE-UHFFFAOYSA-N -1 1 302.342 0.105 20 0 DCADMM CCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001590536310 1166936118 /nfs/dbraw/zinc/93/61/18/1166936118.db2.gz BTZATNOTZYPLPE-UHFFFAOYSA-N -1 1 302.342 0.105 20 0 DCADMM CCCC(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590536538 1166937953 /nfs/dbraw/zinc/93/79/53/1166937953.db2.gz LBPBPONMGCQGQW-VIFPVBQESA-N -1 1 304.358 0.398 20 0 DCADMM CCCC(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590536538 1166937956 /nfs/dbraw/zinc/93/79/56/1166937956.db2.gz LBPBPONMGCQGQW-VIFPVBQESA-N -1 1 304.358 0.398 20 0 DCADMM CCC[C@@H](C)S(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590554224 1166941851 /nfs/dbraw/zinc/94/18/51/1166941851.db2.gz ZAKGXJGOWDWLHJ-SECBINFHSA-N -1 1 310.383 0.870 20 0 DCADMM CCC[C@@H](C)S(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590554224 1166941858 /nfs/dbraw/zinc/94/18/58/1166941858.db2.gz ZAKGXJGOWDWLHJ-SECBINFHSA-N -1 1 310.383 0.870 20 0 DCADMM CCC[C@@H](CC)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590553303 1166942397 /nfs/dbraw/zinc/94/23/97/1166942397.db2.gz CFOLTMVJYDWUKH-MRVPVSSYSA-N -1 1 307.358 0.255 20 0 DCADMM CCCC[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(=O)OC ZINC001590581365 1166945938 /nfs/dbraw/zinc/94/59/38/1166945938.db2.gz GTNKPABBBRJFOD-SNVBAGLBSA-N -1 1 318.337 0.723 20 0 DCADMM CCCC[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(=O)OC ZINC001590581365 1166945942 /nfs/dbraw/zinc/94/59/42/1166945942.db2.gz GTNKPABBBRJFOD-SNVBAGLBSA-N -1 1 318.337 0.723 20 0 DCADMM CCCC[C@H](C)N(C)c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001590576805 1166946438 /nfs/dbraw/zinc/94/64/38/1166946438.db2.gz GBNLNXIFPLORLA-QMMMGPOBSA-N -1 1 307.358 0.269 20 0 DCADMM CCCCC(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590571795 1166947085 /nfs/dbraw/zinc/94/70/85/1166947085.db2.gz GZWPYGWEWJMPQF-PLNGDYQASA-N -1 1 316.369 0.931 20 0 DCADMM CCCCC(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590571795 1166947092 /nfs/dbraw/zinc/94/70/92/1166947092.db2.gz GZWPYGWEWJMPQF-PLNGDYQASA-N -1 1 316.369 0.931 20 0 DCADMM CCCCN(CCCO)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590601406 1166949342 /nfs/dbraw/zinc/94/93/42/1166949342.db2.gz NXLQYIPNFWQBOS-UHFFFAOYSA-N -1 1 304.354 0.886 20 0 DCADMM CCCCN(CCCO)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590601406 1166949347 /nfs/dbraw/zinc/94/93/47/1166949347.db2.gz NXLQYIPNFWQBOS-UHFFFAOYSA-N -1 1 304.354 0.886 20 0 DCADMM CCCN(CC(=O)OC)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590621665 1166952683 /nfs/dbraw/zinc/95/26/83/1166952683.db2.gz QNYGQFPTRJHNOL-UHFFFAOYSA-N -1 1 307.310 0.793 20 0 DCADMM CCCN(CC(=O)OC)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590621665 1166952685 /nfs/dbraw/zinc/95/26/85/1166952685.db2.gz QNYGQFPTRJHNOL-UHFFFAOYSA-N -1 1 307.310 0.793 20 0 DCADMM CCN([C@H]1CCOC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590680117 1166969419 /nfs/dbraw/zinc/96/94/19/1166969419.db2.gz VVXCEBDPAURWEK-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM CCN([C@H]1CCOC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590680117 1166969421 /nfs/dbraw/zinc/96/94/21/1166969421.db2.gz VVXCEBDPAURWEK-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM CCN(CC(C)(C)C)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590682379 1166972204 /nfs/dbraw/zinc/97/22/04/1166972204.db2.gz HQFYUNZNEVTMQC-SECBINFHSA-N -1 1 306.374 0.914 20 0 DCADMM CCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590683294 1166972442 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ZINC001591255547 1167181042 /nfs/dbraw/zinc/18/10/42/1167181042.db2.gz CGIKZEOHMOPLET-KFOINNEUSA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)CC1CC(NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001591261743 1167184371 /nfs/dbraw/zinc/18/43/71/1167184371.db2.gz XIXDLSQVVSUUKK-UHFFFAOYSA-N -1 1 305.294 0.531 20 0 DCADMM COC(=O)CC1CC(NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591261743 1167184374 /nfs/dbraw/zinc/18/43/74/1167184374.db2.gz XIXDLSQVVSUUKK-UHFFFAOYSA-N -1 1 305.294 0.531 20 0 DCADMM COC(=O)CC1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001591263825 1167185252 /nfs/dbraw/zinc/18/52/52/1167185252.db2.gz FYKAKIJXAAIWPH-UHFFFAOYSA-N -1 1 317.353 0.745 20 0 DCADMM COC(=O)CC1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001591263825 1167185260 /nfs/dbraw/zinc/18/52/60/1167185260.db2.gz FYKAKIJXAAIWPH-UHFFFAOYSA-N -1 1 317.353 0.745 20 0 DCADMM COC(=O)CC1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001591263844 1167186881 /nfs/dbraw/zinc/18/68/81/1167186881.db2.gz GIZPPQTVCXFRFA-UHFFFAOYSA-N -1 1 319.321 0.875 20 0 DCADMM COC(=O)CC1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001591263844 1167186890 /nfs/dbraw/zinc/18/68/90/1167186890.db2.gz GIZPPQTVCXFRFA-UHFFFAOYSA-N -1 1 319.321 0.875 20 0 DCADMM COC(=O)N(C)CCN(C)Cc1nc(-c2nnn[n-]2)cs1 ZINC001591271722 1167192323 /nfs/dbraw/zinc/19/23/23/1167192323.db2.gz XQXHSJMXYNOYJA-UHFFFAOYSA-N -1 1 311.371 0.453 20 0 DCADMM COC(=O)N(C)CCN(C)Cc1nc(-c2nn[n-]n2)cs1 ZINC001591271722 1167192327 /nfs/dbraw/zinc/19/23/27/1167192327.db2.gz XQXHSJMXYNOYJA-UHFFFAOYSA-N -1 1 311.371 0.453 20 0 DCADMM COC(=O)NC1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001591273619 1167194398 /nfs/dbraw/zinc/19/43/98/1167194398.db2.gz WFCFWIKTRRACDY-UHFFFAOYSA-N -1 1 315.746 0.521 20 0 DCADMM COC(=O)[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C1CC1 ZINC001591279737 1167197814 /nfs/dbraw/zinc/19/78/14/1167197814.db2.gz TVOXJWIBTPAVFR-VHSXEESVSA-N -1 1 315.337 0.292 20 0 DCADMM CO[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591324531 1167214839 /nfs/dbraw/zinc/21/48/39/1167214839.db2.gz OQKQMWYXNMJWCH-RQJHMYQMSA-N -1 1 317.396 0.630 20 0 DCADMM CO[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591324531 1167214845 /nfs/dbraw/zinc/21/48/45/1167214845.db2.gz OQKQMWYXNMJWCH-RQJHMYQMSA-N -1 1 317.396 0.630 20 0 DCADMM CO[C@@H](CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)CC(C)C ZINC001591330526 1167217564 /nfs/dbraw/zinc/21/75/64/1167217564.db2.gz INZYMAQNAILBMA-VHSXEESVSA-N -1 1 322.373 0.197 20 0 DCADMM CO[C@H](CNC(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001591331315 1167219683 /nfs/dbraw/zinc/21/96/83/1167219683.db2.gz PCVSLFCGQKPTIU-SECBINFHSA-N -1 1 323.382 0.547 20 0 DCADMM CO[C@H](CNC(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001591331315 1167219691 /nfs/dbraw/zinc/21/96/91/1167219691.db2.gz PCVSLFCGQKPTIU-SECBINFHSA-N -1 1 323.382 0.547 20 0 DCADMM CO[C@]1(C)CCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591338497 1167223983 /nfs/dbraw/zinc/22/39/83/1167223983.db2.gz KLNWJMXPGSQIQO-CQSZACIVSA-N -1 1 302.338 0.903 20 0 DCADMM CO[C@]1(C)CCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591338497 1167223986 /nfs/dbraw/zinc/22/39/86/1167223986.db2.gz KLNWJMXPGSQIQO-CQSZACIVSA-N -1 1 302.338 0.903 20 0 DCADMM COC1(OC)CC(NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591346740 1167227190 /nfs/dbraw/zinc/22/71/90/1167227190.db2.gz PATIMPVTBMWTHF-UHFFFAOYSA-N -1 1 304.310 0.143 20 0 DCADMM COC1(OC)CC(NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591346740 1167227194 /nfs/dbraw/zinc/22/71/94/1167227194.db2.gz PATIMPVTBMWTHF-UHFFFAOYSA-N -1 1 304.310 0.143 20 0 DCADMM CO[C@@H]1CC[C@H]2OCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C1 ZINC001591354535 1167230745 /nfs/dbraw/zinc/23/07/45/1167230745.db2.gz PUHILNPUVPKVMX-ADEWGFFLSA-N -1 1 317.353 0.429 20 0 DCADMM CO[C@@H]1CC[C@H]2OCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C1 ZINC001591354535 1167230753 /nfs/dbraw/zinc/23/07/53/1167230753.db2.gz PUHILNPUVPKVMX-ADEWGFFLSA-N -1 1 317.353 0.429 20 0 DCADMM CO[C@H]1CCCN(NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591353495 1167231635 /nfs/dbraw/zinc/23/16/35/1167231635.db2.gz CARFHDUTJCSGSZ-VIFPVBQESA-N -1 1 303.326 0.017 20 0 DCADMM CO[C@H]1CCCN(NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591353495 1167231642 /nfs/dbraw/zinc/23/16/42/1167231642.db2.gz CARFHDUTJCSGSZ-VIFPVBQESA-N -1 1 303.326 0.017 20 0 DCADMM CO[C@H]1COCC[C@@H]1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591360580 1167232638 /nfs/dbraw/zinc/23/26/38/1167232638.db2.gz IZQUAWNEGYZJTB-KOLCDFICSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@H]1COCC[C@@H]1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591360580 1167232644 /nfs/dbraw/zinc/23/26/44/1167232644.db2.gz IZQUAWNEGYZJTB-KOLCDFICSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@H]1COCC[C@H]1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591360582 1167234853 /nfs/dbraw/zinc/23/48/53/1167234853.db2.gz IZQUAWNEGYZJTB-ONGXEEELSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@H]1COCC[C@H]1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591360582 1167234856 /nfs/dbraw/zinc/23/48/56/1167234856.db2.gz IZQUAWNEGYZJTB-ONGXEEELSA-N -1 1 305.342 0.429 20 0 DCADMM COC[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)C1CCOCC1 ZINC001591382269 1167251371 /nfs/dbraw/zinc/25/13/71/1167251371.db2.gz HEIAAQHDGUOWQO-LBPRGKRZSA-N -1 1 319.369 0.819 20 0 DCADMM COC[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)C1CCOCC1 ZINC001591382269 1167251379 /nfs/dbraw/zinc/25/13/79/1167251379.db2.gz HEIAAQHDGUOWQO-LBPRGKRZSA-N -1 1 319.369 0.819 20 0 DCADMM COC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCO1 ZINC001591381554 1167251961 /nfs/dbraw/zinc/25/19/61/1167251961.db2.gz SDFYLTBFBQJQAQ-BDAKNGLRSA-N -1 1 323.378 0.852 20 0 DCADMM COC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCO1 ZINC001591381554 1167251966 /nfs/dbraw/zinc/25/19/66/1167251966.db2.gz SDFYLTBFBQJQAQ-BDAKNGLRSA-N -1 1 323.378 0.852 20 0 DCADMM COC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@@H]1CCCOC1 ZINC001591382239 1167252578 /nfs/dbraw/zinc/25/25/78/1167252578.db2.gz GONNVOXASYBEIB-ZYHUDNBSSA-N -1 1 319.369 0.819 20 0 DCADMM COC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@@H]1CCCOC1 ZINC001591382239 1167252584 /nfs/dbraw/zinc/25/25/84/1167252584.db2.gz GONNVOXASYBEIB-ZYHUDNBSSA-N -1 1 319.369 0.819 20 0 DCADMM COCC1(C2CC2)CN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001591385683 1167256353 /nfs/dbraw/zinc/25/63/53/1167256353.db2.gz RXGJCDLGSKVKPX-UHFFFAOYSA-N -1 1 301.354 0.828 20 0 DCADMM COCC1(C2CC2)CN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001591385683 1167256359 /nfs/dbraw/zinc/25/63/59/1167256359.db2.gz RXGJCDLGSKVKPX-UHFFFAOYSA-N -1 1 301.354 0.828 20 0 DCADMM COC[C@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC001591395570 1167263369 /nfs/dbraw/zinc/26/33/69/1167263369.db2.gz FKDZOQJNHISHRZ-GHMZBOCLSA-N -1 1 304.354 0.810 20 0 DCADMM COC[C@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001591395570 1167263376 /nfs/dbraw/zinc/26/33/76/1167263376.db2.gz FKDZOQJNHISHRZ-GHMZBOCLSA-N -1 1 304.354 0.810 20 0 DCADMM COC[C@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001591395990 1167267030 /nfs/dbraw/zinc/26/70/30/1167267030.db2.gz OXUXIXNBYUWCJC-WCBMZHEXSA-N -1 1 307.310 0.336 20 0 DCADMM COC[C@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001591395990 1167267033 /nfs/dbraw/zinc/26/70/33/1167267033.db2.gz OXUXIXNBYUWCJC-WCBMZHEXSA-N -1 1 307.310 0.336 20 0 DCADMM COC[C@H](O)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001591453020 1167291500 /nfs/dbraw/zinc/29/15/00/1167291500.db2.gz HALHJWSROGCCES-SECBINFHSA-N -1 1 300.322 0.834 20 0 DCADMM COC[C@H](O)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001591453020 1167291504 /nfs/dbraw/zinc/29/15/04/1167291504.db2.gz HALHJWSROGCCES-SECBINFHSA-N -1 1 300.322 0.834 20 0 DCADMM CO[C@H]1CCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001591474030 1167303801 /nfs/dbraw/zinc/30/38/01/1167303801.db2.gz AVDBLHSOWROGPM-QMMMGPOBSA-N -1 1 304.310 0.137 20 0 DCADMM COc1nscc1CN(C)c1ncncc1-c1nn[n-]n1 ZINC001591670289 1167345910 /nfs/dbraw/zinc/34/59/10/1167345910.db2.gz DNIQBHKXYDCCDK-UHFFFAOYSA-N -1 1 304.339 0.758 20 0 DCADMM COc1ncccc1C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001591669585 1167347048 /nfs/dbraw/zinc/34/70/48/1167347048.db2.gz YDBLVTUXMXQZLM-UHFFFAOYSA-N -1 1 312.289 0.315 20 0 DCADMM CS(=O)(=O)CC1(CNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001591673223 1167347863 /nfs/dbraw/zinc/34/78/63/1167347863.db2.gz NSKSEGIZKOCYBB-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM CS(=O)(=O)CC1(CNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001591673223 1167347868 /nfs/dbraw/zinc/34/78/68/1167347868.db2.gz NSKSEGIZKOCYBB-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM CSC[C@H](C)COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591694589 1167355685 /nfs/dbraw/zinc/35/56/85/1167355685.db2.gz IDNJZXUATFMRLD-HTQZYQBOSA-N -1 1 311.371 0.562 20 0 DCADMM CSCCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001591698639 1167359269 /nfs/dbraw/zinc/35/92/69/1167359269.db2.gz DEXXKRWTPBVHDP-UHFFFAOYSA-N -1 1 305.363 0.910 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1cnccn1 ZINC001591766638 1167370966 /nfs/dbraw/zinc/37/09/66/1167370966.db2.gz QLVLAOROAZIVGC-VIFPVBQESA-N -1 1 310.321 0.472 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1cnccn1 ZINC001591766638 1167370970 /nfs/dbraw/zinc/37/09/70/1167370970.db2.gz QLVLAOROAZIVGC-VIFPVBQESA-N -1 1 310.321 0.472 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001591775727 1167373458 /nfs/dbraw/zinc/37/34/58/1167373458.db2.gz VFALVEDNPYJFFP-GUBZILKMSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001591775727 1167373460 /nfs/dbraw/zinc/37/34/60/1167373460.db2.gz VFALVEDNPYJFFP-GUBZILKMSA-N -1 1 314.353 0.326 20 0 DCADMM Cc1c([C@@H](C)NC(=O)c2coc(-c3nnn[n-]3)c2)cnn1C ZINC001591813258 1167386913 /nfs/dbraw/zinc/38/69/13/1167386913.db2.gz DGRZNHGDEBSTMB-SSDOTTSWSA-N -1 1 301.310 0.993 20 0 DCADMM Cc1c([C@@H](C)NC(=O)c2coc(-c3nn[n-]n3)c2)cnn1C ZINC001591813258 1167386915 /nfs/dbraw/zinc/38/69/15/1167386915.db2.gz DGRZNHGDEBSTMB-SSDOTTSWSA-N -1 1 301.310 0.993 20 0 DCADMM Cc1c(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cnn1C ZINC001591819495 1167387990 /nfs/dbraw/zinc/38/79/90/1167387990.db2.gz WJYZZZAFQBYDBL-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1c(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cnn1C ZINC001591819495 1167388000 /nfs/dbraw/zinc/38/80/00/1167388000.db2.gz WJYZZZAFQBYDBL-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCC[C@H](C)O ZINC001591836086 1167390902 /nfs/dbraw/zinc/39/09/02/1167390902.db2.gz WUFKVXOUDPNULD-QMMMGPOBSA-N -1 1 306.326 0.167 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(CC(C)(F)F)CC2)n1 ZINC001591887920 1167410859 /nfs/dbraw/zinc/41/08/59/1167410859.db2.gz SBFMWEKACQXAKX-UHFFFAOYSA-N -1 1 324.339 0.742 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(CC(C)(F)F)CC2)n1 ZINC001591887920 1167410863 /nfs/dbraw/zinc/41/08/63/1167410863.db2.gz SBFMWEKACQXAKX-UHFFFAOYSA-N -1 1 324.339 0.742 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2c(C)c(C)n[nH]c2=O)n1 ZINC001591900590 1167415006 /nfs/dbraw/zinc/41/50/06/1167415006.db2.gz AGNZBUHKDSOMIA-UHFFFAOYSA-N -1 1 313.325 0.690 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2c(C)c(C)n[nH]c2=O)n1 ZINC001591900590 1167415011 /nfs/dbraw/zinc/41/50/11/1167415011.db2.gz AGNZBUHKDSOMIA-UHFFFAOYSA-N -1 1 313.325 0.690 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccc(C)n(C)c2=O)n1 ZINC001591900777 1167415434 /nfs/dbraw/zinc/41/54/34/1167415434.db2.gz PZMMXLYTJUHVQX-UHFFFAOYSA-N -1 1 312.337 0.584 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccc(C)n(C)c2=O)n1 ZINC001591900777 1167415439 /nfs/dbraw/zinc/41/54/39/1167415439.db2.gz PZMMXLYTJUHVQX-UHFFFAOYSA-N -1 1 312.337 0.584 20 0 DCADMM Cc1cc(N2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001592010420 1167435357 /nfs/dbraw/zinc/43/53/57/1167435357.db2.gz FKPFIPPHWKDSMU-BONVTDFDSA-N -1 1 313.365 0.662 20 0 DCADMM Cc1cc(N2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001592010420 1167435363 /nfs/dbraw/zinc/43/53/63/1167435363.db2.gz FKPFIPPHWKDSMU-BONVTDFDSA-N -1 1 313.365 0.662 20 0 DCADMM Cc1cc(O)ccc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592056891 1167446869 /nfs/dbraw/zinc/44/68/69/1167446869.db2.gz ZYDVGHCJJFDDTI-QMMMGPOBSA-N -1 1 314.309 0.672 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](Cn2ccnn2)C1 ZINC001592111065 1167457482 /nfs/dbraw/zinc/45/74/82/1167457482.db2.gz ZSGIQEYEKDFVMN-NSHDSACASA-N -1 1 311.353 0.688 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](N2CCCC2=O)C1 ZINC001592110924 1167458026 /nfs/dbraw/zinc/45/80/26/1167458026.db2.gz XFMWXBVDTUHCKP-NSHDSACASA-N -1 1 313.365 0.771 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](O)C1CCOCC1 ZINC001592112894 1167459290 /nfs/dbraw/zinc/45/92/90/1167459290.db2.gz BJCDOJBQLSNWLU-GFCCVEGCSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1ccc([C@@H](O)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592138685 1167462611 /nfs/dbraw/zinc/46/26/11/1167462611.db2.gz XPPZFODFJRPWIT-MFKMUULPSA-N -1 1 311.349 0.921 20 0 DCADMM Cc1ccc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)o1 ZINC001592167939 1167468350 /nfs/dbraw/zinc/46/83/50/1167468350.db2.gz WYWKBPSCZVOFPU-MRVPVSSYSA-N -1 1 303.282 0.664 20 0 DCADMM Cc1ccc(NC[C@H]2CC(=O)N(C3CC3)C2)nc1-c1nnn[n-]1 ZINC001592182873 1167470056 /nfs/dbraw/zinc/47/00/56/1167470056.db2.gz CKLGIMBREOEABK-SNVBAGLBSA-N -1 1 313.365 0.993 20 0 DCADMM Cc1ccc(NC[C@H]2CC(=O)N(C3CC3)C2)nc1-c1nn[n-]n1 ZINC001592182873 1167470060 /nfs/dbraw/zinc/47/00/60/1167470060.db2.gz CKLGIMBREOEABK-SNVBAGLBSA-N -1 1 313.365 0.993 20 0 DCADMM Cc1ccc(NCc2nnc3n2CCOC3)c(-c2nnn[n-]2)n1 ZINC001592184788 1167474009 /nfs/dbraw/zinc/47/40/09/1167474009.db2.gz GKHRMKZTGZFYIS-UHFFFAOYSA-N -1 1 313.325 0.304 20 0 DCADMM Cc1ccc(NCc2nnc3n2CCOC3)c(-c2nn[n-]n2)n1 ZINC001592184788 1167474011 /nfs/dbraw/zinc/47/40/11/1167474011.db2.gz GKHRMKZTGZFYIS-UHFFFAOYSA-N -1 1 313.325 0.304 20 0 DCADMM Cc1cccc(C)c1OCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592226844 1167477364 /nfs/dbraw/zinc/47/73/64/1167477364.db2.gz CNCWQATYENNHRB-UHFFFAOYSA-N -1 1 313.321 0.981 20 0 DCADMM Cc1cccc(Cn2c(=O)c(-c3nn[n-]n3)c(C)n(C)c2=O)c1 ZINC001592232546 1167477815 /nfs/dbraw/zinc/47/78/15/1167477815.db2.gz URGWOCDWKMGRGM-UHFFFAOYSA-N -1 1 312.333 0.392 20 0 DCADMM Cc1ccn(CC(=O)Nc2snc(C)c2-c2nnn[n-]2)n1 ZINC001592266253 1167479954 /nfs/dbraw/zinc/47/99/54/1167479954.db2.gz SLGCGNNLOOFSQC-UHFFFAOYSA-N -1 1 304.339 0.775 20 0 DCADMM Cc1ccn(CC(=O)Nc2snc(C)c2-c2nn[n-]n2)n1 ZINC001592266253 1167479956 /nfs/dbraw/zinc/47/99/56/1167479956.db2.gz SLGCGNNLOOFSQC-UHFFFAOYSA-N -1 1 304.339 0.775 20 0 DCADMM Cc1ccccc1NC(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001592258495 1167480884 /nfs/dbraw/zinc/48/08/84/1167480884.db2.gz BDFRSPJLOLLMGF-UHFFFAOYSA-N -1 1 310.317 0.976 20 0 DCADMM Cc1cnc(C)c(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC001592292799 1167484649 /nfs/dbraw/zinc/48/46/49/1167484649.db2.gz PXTWAHBOBFQKES-UHFFFAOYSA-N -1 1 314.357 0.624 20 0 DCADMM Cc1cnc(C)c(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC001592292799 1167484652 /nfs/dbraw/zinc/48/46/52/1167484652.db2.gz PXTWAHBOBFQKES-UHFFFAOYSA-N -1 1 314.357 0.624 20 0 DCADMM Cc1cnc2nc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)nn2c1 ZINC001592296167 1167485710 /nfs/dbraw/zinc/48/57/10/1167485710.db2.gz UJYYNULBMXHOFO-UHFFFAOYSA-N -1 1 322.292 0.260 20 0 DCADMM Cc1cnc2nc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)nn2c1 ZINC001592296167 1167485711 /nfs/dbraw/zinc/48/57/11/1167485711.db2.gz UJYYNULBMXHOFO-UHFFFAOYSA-N -1 1 322.292 0.260 20 0 DCADMM Cc1[nH]nc(NC(=O)CCc2ccnn2C)c1-c1nn[n-]n1 ZINC001592328172 1167489220 /nfs/dbraw/zinc/48/92/20/1167489220.db2.gz ODANZEICTCVNTQ-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2CCc3cccnc32)c1-c1nn[n-]n1 ZINC001592328531 1167489750 /nfs/dbraw/zinc/48/97/50/1167489750.db2.gz UUTPGEFHDYTPBF-SECBINFHSA-N -1 1 310.321 0.962 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccc(C(N)=O)s2)c1-c1nn[n-]n1 ZINC001592332205 1167490380 /nfs/dbraw/zinc/49/03/80/1167490380.db2.gz AOACBGOFDMPYHQ-UHFFFAOYSA-N -1 1 318.322 0.311 20 0 DCADMM Cc1nc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)no1 ZINC001592354109 1167505811 /nfs/dbraw/zinc/50/58/11/1167505811.db2.gz CISLDXBUSBJKKL-ZCFIWIBFSA-N -1 1 300.282 0.444 20 0 DCADMM Cc1nc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)no1 ZINC001592354109 1167505820 /nfs/dbraw/zinc/50/58/20/1167505820.db2.gz CISLDXBUSBJKKL-ZCFIWIBFSA-N -1 1 300.282 0.444 20 0 DCADMM Cc1ncc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)s1 ZINC001592410088 1167513983 /nfs/dbraw/zinc/51/39/83/1167513983.db2.gz ALPFNXMQHDXICE-LURJTMIESA-N -1 1 320.338 0.528 20 0 DCADMM Cc1ncsc1CN(C)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001592424920 1167517487 /nfs/dbraw/zinc/51/74/87/1167517487.db2.gz JFSFZAXORCREKE-UHFFFAOYSA-N -1 1 317.378 0.883 20 0 DCADMM Cc1nn(C)c(NC(=O)C=Cc2cccnc2)c1-c1nnn[n-]1 ZINC001592433497 1167519377 /nfs/dbraw/zinc/51/93/77/1167519377.db2.gz BHLWBRMBRXMKCZ-WAYWQWQTSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1nn(C)c(NC(=O)C=Cc2cccnc2)c1-c1nn[n-]n1 ZINC001592433497 1167519379 /nfs/dbraw/zinc/51/93/79/1167519379.db2.gz BHLWBRMBRXMKCZ-WAYWQWQTSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1noc(C2CN(C(=O)c3csc(-c4nn[n-]n4)c3)C2)n1 ZINC001592461516 1167529801 /nfs/dbraw/zinc/52/98/01/1167529801.db2.gz XCOWVNQFESFXOC-UHFFFAOYSA-N -1 1 317.334 0.859 20 0 DCADMM Cc1noc(CCC(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)n1 ZINC001592461620 1167530047 /nfs/dbraw/zinc/53/00/47/1167530047.db2.gz CACBMSGUBWEBDM-UHFFFAOYSA-N -1 1 317.313 0.171 20 0 DCADMM Cc1noc(CCC(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)n1 ZINC001592461620 1167530050 /nfs/dbraw/zinc/53/00/50/1167530050.db2.gz CACBMSGUBWEBDM-UHFFFAOYSA-N -1 1 317.313 0.171 20 0 DCADMM Cc1noc2ncn(Cc3nc(-c4nnn[n-]4)cs3)c(=O)c12 ZINC001592463229 1167533020 /nfs/dbraw/zinc/53/30/20/1167533020.db2.gz OCNPDMSQRXSZRV-UHFFFAOYSA-N -1 1 316.306 0.378 20 0 DCADMM Cc1noc2ncn(Cc3nc(-c4nn[n-]n4)cs3)c(=O)c12 ZINC001592463229 1167533026 /nfs/dbraw/zinc/53/30/26/1167533026.db2.gz OCNPDMSQRXSZRV-UHFFFAOYSA-N -1 1 316.306 0.378 20 0 DCADMM Cc1nsc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)c1-c1nn[n-]n1 ZINC001592488973 1167536968 /nfs/dbraw/zinc/53/69/68/1167536968.db2.gz FEQRXXGCJAUILJ-HLTSFMKQSA-N -1 1 308.367 0.847 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](C(N)=O)C(C)C)c1-c1nnn[n-]1 ZINC001592483994 1167538075 /nfs/dbraw/zinc/53/80/75/1167538075.db2.gz VDEPODKAPLYXTP-SSDOTTSWSA-N -1 1 324.370 0.263 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](C(N)=O)C(C)C)c1-c1nn[n-]n1 ZINC001592483994 1167538082 /nfs/dbraw/zinc/53/80/82/1167538082.db2.gz VDEPODKAPLYXTP-SSDOTTSWSA-N -1 1 324.370 0.263 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCSC[C@@H]1CCO ZINC001592500773 1167542493 /nfs/dbraw/zinc/54/24/93/1167542493.db2.gz ZWUNPFOSLYGTID-VIFPVBQESA-N -1 1 323.378 0.708 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCSC[C@@H]1CCO ZINC001592500773 1167542501 /nfs/dbraw/zinc/54/25/01/1167542501.db2.gz ZWUNPFOSLYGTID-VIFPVBQESA-N -1 1 323.378 0.708 20 0 DCADMM Cc1occc1C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001592511260 1167545042 /nfs/dbraw/zinc/54/50/42/1167545042.db2.gz MCEHKSXXAHTAMD-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1occc1C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001592511260 1167545047 /nfs/dbraw/zinc/54/50/47/1167545047.db2.gz MCEHKSXXAHTAMD-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cn1c(Sc2cncc(-c3nnn[n-]3)n2)nnc1C(F)F ZINC001592557088 1167557314 /nfs/dbraw/zinc/55/73/14/1167557314.db2.gz OVSZYNDPARLNAF-UHFFFAOYSA-N -1 1 311.281 0.874 20 0 DCADMM Cn1c(Sc2cncc(-c3nn[n-]n3)n2)nnc1C(F)F ZINC001592557088 1167557320 /nfs/dbraw/zinc/55/73/20/1167557320.db2.gz OVSZYNDPARLNAF-UHFFFAOYSA-N -1 1 311.281 0.874 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC2CC3(CCC3)C2)c1=O ZINC001592558167 1167557492 /nfs/dbraw/zinc/55/74/92/1167557492.db2.gz RJNOZGRWGQEXKE-UHFFFAOYSA-N -1 1 302.338 0.307 20 0 DCADMM Cn1c(COC(=O)c2coc(-c3nnn[n-]3)c2)nnc1C1CC1 ZINC001592554114 1167558961 /nfs/dbraw/zinc/55/89/61/1167558961.db2.gz ISNQBXRBYUGBPF-UHFFFAOYSA-N -1 1 315.293 0.823 20 0 DCADMM Cn1c(COC(=O)c2coc(-c3nn[n-]n3)c2)nnc1C1CC1 ZINC001592554114 1167558971 /nfs/dbraw/zinc/55/89/71/1167558971.db2.gz ISNQBXRBYUGBPF-UHFFFAOYSA-N -1 1 315.293 0.823 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2COC[C@@H]2C2CC2)n1 ZINC001592560106 1167559989 /nfs/dbraw/zinc/55/99/89/1167559989.db2.gz YJVHWCHDDNACSN-NXEZZACHSA-N -1 1 318.341 0.147 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2COC[C@@H]2C2CC2)n1 ZINC001592560106 1167559996 /nfs/dbraw/zinc/55/99/96/1167559996.db2.gz YJVHWCHDDNACSN-NXEZZACHSA-N -1 1 318.341 0.147 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCOC2(C)C)n1 ZINC001592560133 1167560157 /nfs/dbraw/zinc/56/01/57/1167560157.db2.gz ZZKHVCYUNFJPHK-QMMMGPOBSA-N -1 1 306.330 0.289 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCOC2(C)C)n1 ZINC001592560133 1167560161 /nfs/dbraw/zinc/56/01/61/1167560161.db2.gz ZZKHVCYUNFJPHK-QMMMGPOBSA-N -1 1 306.330 0.289 20 0 DCADMM Cn1cc(Cl)c(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592573650 1167566463 /nfs/dbraw/zinc/56/64/63/1167566463.db2.gz KBCBZBRIAPJLTB-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1cc(Cl)c(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592573650 1167566467 /nfs/dbraw/zinc/56/64/67/1167566467.db2.gz KBCBZBRIAPJLTB-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1ccc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)n1 ZINC001592580357 1167568558 /nfs/dbraw/zinc/56/85/58/1167568558.db2.gz CEXSQMMJOABEMI-UHFFFAOYSA-N -1 1 307.317 0.963 20 0 DCADMM NC(=O)[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccc(F)cc1 ZINC001592714871 1167609157 /nfs/dbraw/zinc/60/91/57/1167609157.db2.gz CEAIWOZZDKVZHE-LLVKDONJSA-N -1 1 314.284 0.434 20 0 DCADMM NC(=O)[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccc(F)cc1 ZINC001592714871 1167609162 /nfs/dbraw/zinc/60/91/62/1167609162.db2.gz CEAIWOZZDKVZHE-LLVKDONJSA-N -1 1 314.284 0.434 20 0 DCADMM NC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001592717169 1167612260 /nfs/dbraw/zinc/61/22/60/1167612260.db2.gz RFUDTCBBWIFRTO-NSHDSACASA-N -1 1 313.273 0.843 20 0 DCADMM NC(=O)C[C@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592724283 1167613215 /nfs/dbraw/zinc/61/32/15/1167613215.db2.gz FXARWSQPHTYSDC-SNVBAGLBSA-N -1 1 315.337 0.132 20 0 DCADMM NC(=O)C[C@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592724283 1167613220 /nfs/dbraw/zinc/61/32/20/1167613220.db2.gz FXARWSQPHTYSDC-SNVBAGLBSA-N -1 1 315.337 0.132 20 0 DCADMM NC(=O)C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001592725850 1167616024 /nfs/dbraw/zinc/61/60/24/1167616024.db2.gz MCYOSRAAYQDOPY-SSDOTTSWSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001592725850 1167616028 /nfs/dbraw/zinc/61/60/28/1167616028.db2.gz MCYOSRAAYQDOPY-SSDOTTSWSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)Cc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001592730143 1167617925 /nfs/dbraw/zinc/61/79/25/1167617925.db2.gz LHNHIIJBBKDVME-UHFFFAOYSA-N -1 1 309.333 0.324 20 0 DCADMM NC(=O)Cc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592730143 1167617930 /nfs/dbraw/zinc/61/79/30/1167617930.db2.gz LHNHIIJBBKDVME-UHFFFAOYSA-N -1 1 309.333 0.324 20 0 DCADMM NC(=O)NC(=O)CCCSc1cccnc1-c1nnn[n-]1 ZINC001592731061 1167618355 /nfs/dbraw/zinc/61/83/55/1167618355.db2.gz CSMOWKICZRUHSZ-UHFFFAOYSA-N -1 1 307.339 0.329 20 0 DCADMM NC(=O)Cc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001592729552 1167618736 /nfs/dbraw/zinc/61/87/36/1167618736.db2.gz BYLCKNBAXCJUSJ-UHFFFAOYSA-N -1 1 312.289 0.740 20 0 DCADMM NC(=O)Cc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001592729552 1167618738 /nfs/dbraw/zinc/61/87/38/1167618738.db2.gz BYLCKNBAXCJUSJ-UHFFFAOYSA-N -1 1 312.289 0.740 20 0 DCADMM NC(=O)Nc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592732228 1167621932 /nfs/dbraw/zinc/62/19/32/1167621932.db2.gz AGKLODLLBVLHNZ-UHFFFAOYSA-N -1 1 311.309 0.181 20 0 DCADMM Nc1n[nH]c(C2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)n1 ZINC001592763614 1167637862 /nfs/dbraw/zinc/63/78/62/1167637862.db2.gz DKYHELRGAKXELB-UHFFFAOYSA-N -1 1 312.341 0.346 20 0 DCADMM Nc1n[nH]c(C2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)n1 ZINC001592763614 1167637865 /nfs/dbraw/zinc/63/78/65/1167637865.db2.gz DKYHELRGAKXELB-UHFFFAOYSA-N -1 1 312.341 0.346 20 0 DCADMM Nc1nccc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001592763171 1167638084 /nfs/dbraw/zinc/63/80/84/1167638084.db2.gz SSMHCTKUZVJBAG-SECBINFHSA-N -1 1 324.352 0.413 20 0 DCADMM Nc1nccc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001592763171 1167638086 /nfs/dbraw/zinc/63/80/86/1167638086.db2.gz SSMHCTKUZVJBAG-SECBINFHSA-N -1 1 324.352 0.413 20 0 DCADMM O=C(/C=C\[C@@H]1CCOC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592795256 1167642565 /nfs/dbraw/zinc/64/25/65/1167642565.db2.gz PQJGZZCLVZGWNT-JWXWKVPASA-N -1 1 301.306 0.898 20 0 DCADMM O=C(/C=C\[C@@H]1CCOC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592795256 1167642571 /nfs/dbraw/zinc/64/25/71/1167642571.db2.gz PQJGZZCLVZGWNT-JWXWKVPASA-N -1 1 301.306 0.898 20 0 DCADMM O=C(CNC(=O)c1ccsc1-c1nnn[n-]1)OCC1CC1 ZINC001592873915 1167652972 /nfs/dbraw/zinc/65/29/72/1167652972.db2.gz QBSLRNQORJCWDG-UHFFFAOYSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(CNC(=O)c1coc(-c2nnn[n-]2)c1)Nc1ccccc1 ZINC001592873109 1167654131 /nfs/dbraw/zinc/65/41/31/1167654131.db2.gz GVTDKDACORZONZ-UHFFFAOYSA-N -1 1 312.289 0.828 20 0 DCADMM O=C(CNC(=O)c1coc(-c2nn[n-]n2)c1)Nc1ccccc1 ZINC001592873109 1167654135 /nfs/dbraw/zinc/65/41/35/1167654135.db2.gz GVTDKDACORZONZ-UHFFFAOYSA-N -1 1 312.289 0.828 20 0 DCADMM O=C(CNc1nc(-c2nn[n-]n2)c(Cl)s1)N1CCCO1 ZINC001592878819 1167655425 /nfs/dbraw/zinc/65/54/25/1167655425.db2.gz TUPBPXDJMVXAHT-UHFFFAOYSA-N -1 1 315.746 0.552 20 0 DCADMM O=C(Cc1noc(-c2ccc(-c3nnn[n-]3)nc2)n1)NC1CC1 ZINC001592935872 1167667578 /nfs/dbraw/zinc/66/75/78/1167667578.db2.gz SENOUFSPMLFXLO-UHFFFAOYSA-N -1 1 312.293 0.133 20 0 DCADMM O=C(Cc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1)NC1CC1 ZINC001592935872 1167667582 /nfs/dbraw/zinc/66/75/82/1167667582.db2.gz SENOUFSPMLFXLO-UHFFFAOYSA-N -1 1 312.293 0.133 20 0 DCADMM O=C(Cc1cscn1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592933437 1167667758 /nfs/dbraw/zinc/66/77/58/1167667758.db2.gz XYCGYZJGPKXTEM-UHFFFAOYSA-N -1 1 301.335 0.577 20 0 DCADMM O=C(Cc1cscn1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592933437 1167667762 /nfs/dbraw/zinc/66/77/62/1167667762.db2.gz XYCGYZJGPKXTEM-UHFFFAOYSA-N -1 1 301.335 0.577 20 0 DCADMM O=C(Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2)C(F)F ZINC001592937369 1167668051 /nfs/dbraw/zinc/66/80/51/1167668051.db2.gz WEWNNUDXCHDEQZ-UHFFFAOYSA-N -1 1 309.276 0.741 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(O)cc1Cl ZINC001592941883 1167669364 /nfs/dbraw/zinc/66/93/64/1167669364.db2.gz PEXACDIMOLMDIY-UHFFFAOYSA-N -1 1 320.700 0.456 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)c1ccccc1F ZINC001592941753 1167669652 /nfs/dbraw/zinc/66/96/52/1167669652.db2.gz ULHVVPNWWMEVAJ-UHFFFAOYSA-N -1 1 300.253 0.445 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(F)c(F)c1 ZINC001592942011 1167670252 /nfs/dbraw/zinc/67/02/52/1167670252.db2.gz ZVALXSILBNTIBQ-UHFFFAOYSA-N -1 1 306.236 0.375 20 0 DCADMM O=C(N[C@@H](c1ncon1)C1CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592954884 1167673540 /nfs/dbraw/zinc/67/35/40/1167673540.db2.gz JCTCKGKAZBIEOC-SECBINFHSA-N -1 1 301.266 0.724 20 0 DCADMM O=C(N[C@@H](c1ncon1)C1CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592954884 1167673544 /nfs/dbraw/zinc/67/35/44/1167673544.db2.gz JCTCKGKAZBIEOC-SECBINFHSA-N -1 1 301.266 0.724 20 0 DCADMM O=C(NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593030717 1167691165 /nfs/dbraw/zinc/69/11/65/1167691165.db2.gz PNYUEEUNSYMSKO-GAFUQQFSSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593030717 1167691170 /nfs/dbraw/zinc/69/11/70/1167691170.db2.gz PNYUEEUNSYMSKO-GAFUQQFSSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NCCCOCC1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593077169 1167700193 /nfs/dbraw/zinc/70/01/93/1167700193.db2.gz SMLRDRVDGFIRBK-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCCOCC1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593077169 1167700200 /nfs/dbraw/zinc/70/02/00/1167700200.db2.gz SMLRDRVDGFIRBK-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)C1CC(F)(F)C1 ZINC001593089819 1167703132 /nfs/dbraw/zinc/70/31/32/1167703132.db2.gz OQIJTRUFTARGBR-UHFFFAOYSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)C1CC(F)(F)C1 ZINC001593089819 1167703138 /nfs/dbraw/zinc/70/31/38/1167703138.db2.gz OQIJTRUFTARGBR-UHFFFAOYSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)C1(C(F)F)CC1 ZINC001593092014 1167705356 /nfs/dbraw/zinc/70/53/56/1167705356.db2.gz SLPLVVSIHXDPAK-UHFFFAOYSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)C1(C(F)F)CC1 ZINC001593092014 1167705361 /nfs/dbraw/zinc/70/53/61/1167705361.db2.gz SLPLVVSIHXDPAK-UHFFFAOYSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NC[C@@H](O)C(F)(F)F)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593113029 1167710551 /nfs/dbraw/zinc/71/05/51/1167710551.db2.gz VOPALSNTSYBSNH-SSDOTTSWSA-N -1 1 317.231 0.306 20 0 DCADMM O=C(NC[C@@H](O)C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593113029 1167710560 /nfs/dbraw/zinc/71/05/60/1167710560.db2.gz VOPALSNTSYBSNH-SSDOTTSWSA-N -1 1 317.231 0.306 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1sccc1Cl ZINC001593111912 1167711041 /nfs/dbraw/zinc/71/10/41/1167711041.db2.gz CULFBIFUDJJTRW-UHFFFAOYSA-N -1 1 324.757 0.603 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CCC12CCCC2 ZINC001593109096 1167712450 /nfs/dbraw/zinc/71/24/50/1167712450.db2.gz HJMFWAJLEDNHND-UHFFFAOYSA-N -1 1 317.357 0.186 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H](O)c1ccccn1 ZINC001593147234 1167724654 /nfs/dbraw/zinc/72/46/54/1167724654.db2.gz HEKHCMKOYZZVJD-LBPRGKRZSA-N -1 1 311.305 0.007 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H](O)c1ccccn1 ZINC001593147234 1167724665 /nfs/dbraw/zinc/72/46/65/1167724665.db2.gz HEKHCMKOYZZVJD-LBPRGKRZSA-N -1 1 311.305 0.007 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001593151221 1167726124 /nfs/dbraw/zinc/72/61/24/1167726124.db2.gz RRSMSNLTAFLTEP-MTBHXBHISA-N -1 1 305.367 0.921 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001593151221 1167726129 /nfs/dbraw/zinc/72/61/29/1167726129.db2.gz RRSMSNLTAFLTEP-MTBHXBHISA-N -1 1 305.367 0.921 20 0 DCADMM O=C(NCc1csc(=O)[nH]1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593152234 1167727841 /nfs/dbraw/zinc/72/78/41/1167727841.db2.gz DWXDIYVBVLCPCD-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(NCc1csc(=O)[nH]1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593152234 1167727847 /nfs/dbraw/zinc/72/78/47/1167727847.db2.gz DWXDIYVBVLCPCD-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-c2nnn[n-]2)o1 ZINC001593182787 1167732829 /nfs/dbraw/zinc/73/28/29/1167732829.db2.gz YCLIAVPSRVYJJI-GXFFZTMASA-N -1 1 311.301 0.848 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-c2nn[n-]n2)o1 ZINC001593182787 1167732838 /nfs/dbraw/zinc/73/28/38/1167732838.db2.gz YCLIAVPSRVYJJI-GXFFZTMASA-N -1 1 311.301 0.848 20 0 DCADMM O=C(Nc1c[n-][nH]c1=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001593198559 1167734666 /nfs/dbraw/zinc/73/46/66/1167734666.db2.gz HCCQXBBKNFHZIY-UHFFFAOYSA-N -1 1 307.220 0.826 20 0 DCADMM O=C(Nc1n[nH]c2[nH]c(=O)ccc12)c1ccc(-c2nnn[n-]2)nc1 ZINC001593195929 1167735127 /nfs/dbraw/zinc/73/51/27/1167735127.db2.gz IQOGMLFONHIJFO-UHFFFAOYSA-N -1 1 323.276 0.491 20 0 DCADMM O=C(Nc1n[nH]c2[nH]c(=O)ccc12)c1ccc(-c2nn[n-]n2)nc1 ZINC001593195929 1167735134 /nfs/dbraw/zinc/73/51/34/1167735134.db2.gz IQOGMLFONHIJFO-UHFFFAOYSA-N -1 1 323.276 0.491 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccc[n+]([O-])c1 ZINC001593197747 1167735926 /nfs/dbraw/zinc/73/59/26/1167735926.db2.gz XCTQHCGRDFLRKG-UHFFFAOYSA-N -1 1 312.293 0.353 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnc2nccn2c1 ZINC001593245631 1167743337 /nfs/dbraw/zinc/74/33/37/1167743337.db2.gz ZCGLDRMTQSTIOA-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnc2nccn2c1 ZINC001593245631 1167743345 /nfs/dbraw/zinc/74/33/45/1167743345.db2.gz ZCGLDRMTQSTIOA-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccn(CC(F)F)n1 ZINC001593259563 1167747164 /nfs/dbraw/zinc/74/71/64/1167747164.db2.gz CHALLQJHRZIKNV-UHFFFAOYSA-N -1 1 309.240 0.304 20 0 DCADMM O=C(OCC1(O)CCOCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593284039 1167757412 /nfs/dbraw/zinc/75/74/12/1167757412.db2.gz YJHPXWYPIYQNNL-UHFFFAOYSA-N -1 1 322.296 0.704 20 0 DCADMM O=C(OCC1(O)CCOCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593284039 1167757418 /nfs/dbraw/zinc/75/74/18/1167757418.db2.gz YJHPXWYPIYQNNL-UHFFFAOYSA-N -1 1 322.296 0.704 20 0 DCADMM O=C(OCCN1C(=O)CCC1=O)c1csc(-c2nnn[n-]2)c1 ZINC001593289016 1167759923 /nfs/dbraw/zinc/75/99/23/1167759923.db2.gz DWETVSKXYIKHEG-UHFFFAOYSA-N -1 1 321.318 0.234 20 0 DCADMM O=C(OCCN1C(=O)CCC1=O)c1csc(-c2nn[n-]n2)c1 ZINC001593289016 1167759928 /nfs/dbraw/zinc/75/99/28/1167759928.db2.gz DWETVSKXYIKHEG-UHFFFAOYSA-N -1 1 321.318 0.234 20 0 DCADMM O=C(OCCOC1CCOCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593291016 1167763519 /nfs/dbraw/zinc/76/35/19/1167763519.db2.gz YGECLDQGXFNDLJ-UHFFFAOYSA-N -1 1 308.294 0.812 20 0 DCADMM O=C(OCCO[C@H]1CC1(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001593290788 1167764629 /nfs/dbraw/zinc/76/46/29/1167764629.db2.gz RQKRUJIPZGENBW-VIFPVBQESA-N -1 1 311.248 0.843 20 0 DCADMM O=C(OCCO[C@H]1CC1(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001593290788 1167764636 /nfs/dbraw/zinc/76/46/36/1167764636.db2.gz RQKRUJIPZGENBW-VIFPVBQESA-N -1 1 311.248 0.843 20 0 DCADMM O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593307340 1167767554 /nfs/dbraw/zinc/76/75/54/1167767554.db2.gz AJDANYSWHPFGTN-UHFFFAOYSA-N -1 1 324.260 0.655 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@]2(CCSC2)C1 ZINC001593338806 1167778721 /nfs/dbraw/zinc/77/87/21/1167778721.db2.gz GULMNDJSWOPASQ-CYBMUJFWSA-N -1 1 321.362 0.808 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@]2(CCSC2)C1 ZINC001593338806 1167778730 /nfs/dbraw/zinc/77/87/30/1167778730.db2.gz GULMNDJSWOPASQ-CYBMUJFWSA-N -1 1 321.362 0.808 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCN(CCCF)CC1 ZINC001593369212 1167789298 /nfs/dbraw/zinc/78/92/98/1167789298.db2.gz FNRMHYRHVORYLE-UHFFFAOYSA-N -1 1 308.317 0.577 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCN(CCCF)CC1 ZINC001593369212 1167789307 /nfs/dbraw/zinc/78/93/07/1167789307.db2.gz FNRMHYRHVORYLE-UHFFFAOYSA-N -1 1 308.317 0.577 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@@H]1CCC(=O)N1 ZINC001593388204 1167798460 /nfs/dbraw/zinc/79/84/60/1167798460.db2.gz MNSVZCCHFQFJCV-VIFPVBQESA-N -1 1 322.275 0.040 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@@H]1CCC(=O)N1 ZINC001593388204 1167798466 /nfs/dbraw/zinc/79/84/66/1167798466.db2.gz MNSVZCCHFQFJCV-VIFPVBQESA-N -1 1 322.275 0.040 20 0 DCADMM O=C(OC[C@@H]1CCNC(=O)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593390584 1167800519 /nfs/dbraw/zinc/80/05/19/1167800519.db2.gz MZDKUJWMWNGPFK-VIFPVBQESA-N -1 1 316.321 0.335 20 0 DCADMM O=C(OC[C@@H]1CCNC(=O)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593390584 1167800535 /nfs/dbraw/zinc/80/05/35/1167800535.db2.gz MZDKUJWMWNGPFK-VIFPVBQESA-N -1 1 316.321 0.335 20 0 DCADMM O=C1CCN(c2cnc(-c3nnn[n-]3)cn2)CCCCCN1 ZINC001593394353 1167806661 /nfs/dbraw/zinc/80/66/61/1167806661.db2.gz MNACUFQKACKGIE-UHFFFAOYSA-N -1 1 302.342 0.153 20 0 DCADMM O=C1CCN(c2cnc(-c3nn[n-]n3)cn2)CCCCCN1 ZINC001593394353 1167806674 /nfs/dbraw/zinc/80/66/74/1167806674.db2.gz MNACUFQKACKGIE-UHFFFAOYSA-N -1 1 302.342 0.153 20 0 DCADMM O=CN1CCCN(C(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001593414372 1167825979 /nfs/dbraw/zinc/82/59/79/1167825979.db2.gz MACQPSLMEMCEEX-UHFFFAOYSA-N -1 1 306.351 0.233 20 0 DCADMM O=CN1CCCN(C(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001593414372 1167825997 /nfs/dbraw/zinc/82/59/97/1167825997.db2.gz MACQPSLMEMCEEX-UHFFFAOYSA-N -1 1 306.351 0.233 20 0 DCADMM O=CN1CCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001593413977 1167828935 /nfs/dbraw/zinc/82/89/35/1167828935.db2.gz FFPLZYFGSJEUFZ-VIFPVBQESA-N -1 1 306.351 0.165 20 0 DCADMM O=Cc1c[nH]c(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001593416764 1167831222 /nfs/dbraw/zinc/83/12/22/1167831222.db2.gz ZDAJAKWIYHBUTG-UHFFFAOYSA-N -1 1 312.293 0.860 20 0 DCADMM O=Cc1cc(F)c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1F ZINC001593415609 1167832182 /nfs/dbraw/zinc/83/21/82/1167832182.db2.gz FURUVQZTPPILPC-UHFFFAOYSA-N -1 1 319.231 0.933 20 0 DCADMM O=Cc1cc(F)c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1F ZINC001593415609 1167832194 /nfs/dbraw/zinc/83/21/94/1167832194.db2.gz FURUVQZTPPILPC-UHFFFAOYSA-N -1 1 319.231 0.933 20 0 DCADMM O=S(=O)(Cc1csc(-c2nn[n-]n2)c1)N1CCCOC1 ZINC001593428371 1167835956 /nfs/dbraw/zinc/83/59/56/1167835956.db2.gz BLHVQWQDXTYVDB-UHFFFAOYSA-N -1 1 315.380 0.438 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1CCn2ccnc21 ZINC001593455072 1167847619 /nfs/dbraw/zinc/84/76/19/1167847619.db2.gz XBSMFCSVHIDTTC-UHFFFAOYSA-N -1 1 323.363 0.334 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1CCn2ccnc21 ZINC001593455072 1167847630 /nfs/dbraw/zinc/84/76/30/1167847630.db2.gz XBSMFCSVHIDTTC-UHFFFAOYSA-N -1 1 323.363 0.334 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1C[C@@H]2CCC[C@@H]2C1 ZINC001593456894 1167849459 /nfs/dbraw/zinc/84/94/59/1167849459.db2.gz FJWVGTQQVDHZTA-AOOOYVTPSA-N -1 1 320.378 0.682 20 0 DCADMM O=[S@@]1C[C@@H]2C[C@H]1CN2c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593467104 1167859575 /nfs/dbraw/zinc/85/95/75/1167859575.db2.gz SGQXGWSUGNBQDV-YWHIBEFZSA-N -1 1 317.378 0.244 20 0 DCADMM O=[S@@]1C[C@@H]2C[C@H]1CN2c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593467104 1167859581 /nfs/dbraw/zinc/85/95/81/1167859581.db2.gz SGQXGWSUGNBQDV-YWHIBEFZSA-N -1 1 317.378 0.244 20 0 DCADMM O=c1c(-c2nnn[n-]2)cccn1CN1CC[C@H]2CSC[C@H]2C1 ZINC001593492349 1167875737 /nfs/dbraw/zinc/87/57/37/1167875737.db2.gz HOPAKXJKWGMJDL-WDEREUQCSA-N -1 1 318.406 0.671 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1Cc1nncn1-c1ccccc1 ZINC001593494014 1167876909 /nfs/dbraw/zinc/87/69/09/1167876909.db2.gz CWCCEENZNROCGO-UHFFFAOYSA-N -1 1 320.316 0.657 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1nnc(-c2ccco2)o1 ZINC001593495311 1167880058 /nfs/dbraw/zinc/88/00/58/1167880058.db2.gz ZFNAFNMOKMKJGT-UHFFFAOYSA-N -1 1 312.249 0.115 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1cccc2c1CCOC2 ZINC001593495096 1167881157 /nfs/dbraw/zinc/88/11/57/1167881157.db2.gz VBKLSPATPQUKSD-UHFFFAOYSA-N -1 1 310.317 0.544 20 0 DCADMM OC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cccc(F)c1 ZINC001593521301 1167894532 /nfs/dbraw/zinc/89/45/32/1167894532.db2.gz RSFPCOVJKFXEAA-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM OC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cccc(F)c1 ZINC001593521301 1167894535 /nfs/dbraw/zinc/89/45/35/1167894535.db2.gz RSFPCOVJKFXEAA-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM O[C@H]1c2ccccc2OC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001593521577 1167897493 /nfs/dbraw/zinc/89/74/93/1167897493.db2.gz MSLBKVGGWSFVEZ-GWCFXTLKSA-N -1 1 311.305 0.563 20 0 DCADMM O[C@H]1c2ccccc2OC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001593521577 1167897498 /nfs/dbraw/zinc/89/74/98/1167897498.db2.gz MSLBKVGGWSFVEZ-GWCFXTLKSA-N -1 1 311.305 0.563 20 0 DCADMM OC[C@H]1CCN1c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001593527621 1167904535 /nfs/dbraw/zinc/90/45/35/1167904535.db2.gz GTXBBTMUYKUSCZ-SSDOTTSWSA-N -1 1 300.244 0.852 20 0 DCADMM OC[C@H]1CCN1c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001593527621 1167904546 /nfs/dbraw/zinc/90/45/46/1167904546.db2.gz GTXBBTMUYKUSCZ-SSDOTTSWSA-N -1 1 300.244 0.852 20 0 DCADMM O[C@@H](COc1cnc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC001593536568 1167914845 /nfs/dbraw/zinc/91/48/45/1167914845.db2.gz NQJYVUWARPQCJH-NSHDSACASA-N -1 1 302.269 0.908 20 0 DCADMM Oc1ccc(N2CCN(c3ncncc3-c3nn[n-]n3)CC2)cc1 ZINC001593540024 1167922775 /nfs/dbraw/zinc/92/27/75/1167922775.db2.gz NPYJYVAGHXMCKG-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM c1cc(NCCc2ccc3c(c2)CCO3)nc(-c2nn[n-]n2)n1 ZINC001593560952 1167939637 /nfs/dbraw/zinc/93/96/37/1167939637.db2.gz ONZHBCIMJSRETG-UHFFFAOYSA-N -1 1 309.333 0.668 20 0 DCADMM c1cc(NC[C@@H]2CCOC3(CCC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593560392 1167943326 /nfs/dbraw/zinc/94/33/26/1167943326.db2.gz DDAAIBGKVFIQSV-SNVBAGLBSA-N -1 1 301.354 0.840 20 0 DCADMM c1cnc(N[C@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)nc1 ZINC001593585291 1167951464 /nfs/dbraw/zinc/95/14/64/1167951464.db2.gz YMDWLFHICBKVPZ-VIFPVBQESA-N -1 1 310.325 0.138 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(NCc2ncc3c(n2)CCOC3)n1 ZINC001593585457 1167953063 /nfs/dbraw/zinc/95/30/63/1167953063.db2.gz TWXCWGWSFJGAPC-UHFFFAOYSA-N -1 1 311.309 0.132 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(NCc2ncc3c(n2)CCOC3)n1 ZINC001593585457 1167953064 /nfs/dbraw/zinc/95/30/64/1167953064.db2.gz TWXCWGWSFJGAPC-UHFFFAOYSA-N -1 1 311.309 0.132 20 0 DCADMM COC(=O)CC[C@@H](C(=O)[O-])N1CCN(c2ncccn2)CC1 ZINC001598847957 1168045077 /nfs/dbraw/zinc/04/50/77/1168045077.db2.gz MVCUQNPLZAFKKZ-NSHDSACASA-N -1 1 308.338 0.005 20 0 DCADMM COC(=O)CCN(Cc1oncc1C(=O)[O-])C[C@@H]1CCCO1 ZINC001598853720 1168045958 /nfs/dbraw/zinc/04/59/58/1168045958.db2.gz KNXWYQZRQZWLFT-JTQLQIEISA-N -1 1 312.322 0.917 20 0 DCADMM Cc1c(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)cnn1C ZINC001600010655 1168094550 /nfs/dbraw/zinc/09/45/50/1168094550.db2.gz VWIORZBGDRCUBN-UHFFFAOYSA-N -1 1 304.354 0.855 20 0 DCADMM Cc1cc(C(=O)N2CC[C@@H](Nc3ncc(C(=O)[O-])cn3)C2)n[nH]1 ZINC001600081749 1168114023 /nfs/dbraw/zinc/11/40/23/1168114023.db2.gz UQHQAVBJIKNVFO-SNVBAGLBSA-N -1 1 316.321 0.533 20 0 DCADMM Cc1ccc(CN[C@@](C)(Cn2cccn2)C(N)=O)cc1C(=O)[O-] ZINC001600419917 1168181705 /nfs/dbraw/zinc/18/17/05/1168181705.db2.gz RZDWBBJAGNIMPW-INIZCTEOSA-N -1 1 316.361 0.924 20 0 DCADMM Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)C2)c(C(=O)[O-])c1 ZINC001600440716 1168185706 /nfs/dbraw/zinc/18/57/06/1168185706.db2.gz FAHJAHCKMGAGPT-SNVBAGLBSA-N -1 1 305.334 0.452 20 0 DCADMM Cc1cccc(S(=O)(=O)N[C@@H](C)c2nnc[nH]2)c1C(=O)[O-] ZINC001600550046 1168199429 /nfs/dbraw/zinc/19/94/29/1168199429.db2.gz AUYKLOFYJSOTTF-QMMMGPOBSA-N -1 1 310.335 0.851 20 0 DCADMM Cc1nn[nH]c1C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001600675634 1168243179 /nfs/dbraw/zinc/24/31/79/1168243179.db2.gz KEUUQCPOBZXNRQ-NWDGAFQWSA-N -1 1 316.317 0.759 20 0 DCADMM Cc1nc2cccc(C(=O)N3CCN(CC(=O)[O-])CC3)c2[nH]1 ZINC001600720616 1168262536 /nfs/dbraw/zinc/26/25/36/1168262536.db2.gz CTRHAWLNVCYZHK-UHFFFAOYSA-N -1 1 302.334 0.714 20 0 DCADMM Cc1ncc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC001600735851 1168268287 /nfs/dbraw/zinc/26/82/87/1168268287.db2.gz DASVOLVZSFKHEQ-VUDBWIFFSA-N -1 1 306.347 1.000 20 0 DCADMM Cc1oc(CN(C)C(=O)C(=O)N2CCNC[C@H]2C)cc1C(=O)[O-] ZINC001600841029 1168482402 /nfs/dbraw/zinc/48/24/02/1168482402.db2.gz SYXJFPGOXLCEDF-SECBINFHSA-N -1 1 323.349 0.065 20 0 DCADMM Cn1c(=O)c(CN2C[C@@H](O)C[C@H]2C(=O)[O-])cc2ccccc21 ZINC001600895576 1168498595 /nfs/dbraw/zinc/49/85/95/1168498595.db2.gz DKVJVNVCPWZIEN-JSGCOSHPSA-N -1 1 302.330 0.558 20 0 DCADMM 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C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C)CC1 ZINC001605435354 1169919728 /nfs/dbraw/zinc/91/97/28/1169919728.db2.gz OQZGSHKCMFVIIA-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C)CC1 ZINC001605435354 1169919737 /nfs/dbraw/zinc/91/97/37/1169919737.db2.gz OQZGSHKCMFVIIA-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2nnc3ccccn32)n1 ZINC001605555316 1169958847 /nfs/dbraw/zinc/95/88/47/1169958847.db2.gz ARZYZMUPNSLHQN-UHFFFAOYSA-N -1 1 322.336 0.644 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2nnc3ccccn32)n1 ZINC001605555316 1169958852 /nfs/dbraw/zinc/95/88/52/1169958852.db2.gz ARZYZMUPNSLHQN-UHFFFAOYSA-N -1 1 322.336 0.644 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN3C(=O)OC[C@@H]3C2)c1 ZINC001605563155 1169961420 /nfs/dbraw/zinc/96/14/20/1169961420.db2.gz RIFVEEVYJDFUFE-VIFPVBQESA-N -1 1 301.310 0.211 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN3C(=O)OC[C@@H]3C2)c1 ZINC001605563155 1169961425 /nfs/dbraw/zinc/96/14/25/1169961425.db2.gz RIFVEEVYJDFUFE-VIFPVBQESA-N -1 1 301.310 0.211 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1 ZINC001605566347 1169962021 /nfs/dbraw/zinc/96/20/21/1169962021.db2.gz YDAAHMCAAFJOOK-BONVTDFDSA-N -1 1 313.365 0.662 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1 ZINC001605566347 1169962028 /nfs/dbraw/zinc/96/20/28/1169962028.db2.gz YDAAHMCAAFJOOK-BONVTDFDSA-N -1 1 313.365 0.662 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCOC[C@@H]2CCCO2)n1 ZINC001605580686 1169963468 /nfs/dbraw/zinc/96/34/68/1169963468.db2.gz HNGVWBUWAUQLTE-JTQLQIEISA-N -1 1 305.342 0.573 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCOC[C@@H]2CCCO2)n1 ZINC001605580686 1169963476 /nfs/dbraw/zinc/96/34/76/1169963476.db2.gz HNGVWBUWAUQLTE-JTQLQIEISA-N -1 1 305.342 0.573 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)[C@H]2CC2(C)C)n1 ZINC001605579255 1169964385 /nfs/dbraw/zinc/96/43/85/1169964385.db2.gz SVGKTHPMCBLRNC-SECBINFHSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)[C@H]2CC2(C)C)n1 ZINC001605579255 1169964393 /nfs/dbraw/zinc/96/43/93/1169964393.db2.gz SVGKTHPMCBLRNC-SECBINFHSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NCCCF ZINC001605681623 1169985403 /nfs/dbraw/zinc/98/54/03/1169985403.db2.gz GTEMZVZQKGQZFF-UHFFFAOYSA-N -1 1 317.321 0.952 20 0 DCADMM CC[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C(F)(F)F ZINC001605761961 1169997912 /nfs/dbraw/zinc/99/79/12/1169997912.db2.gz WTUOYOLODUZJIA-YFKPBYRVSA-N -1 1 301.246 0.727 20 0 DCADMM CCc1[nH]c(CNC[C@@H]2CCCS2(=O)=O)cc1C(=O)[O-] ZINC001605774505 1169998711 /nfs/dbraw/zinc/99/87/11/1169998711.db2.gz PIMBXTORGGWWDU-JTQLQIEISA-N -1 1 300.380 0.942 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC001605803101 1170004635 /nfs/dbraw/zinc/00/46/35/1170004635.db2.gz XDOKYFWNGQYIQE-JTQLQIEISA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)C[C@H]1CCS(=O)(=O)C1 ZINC001605803103 1170005124 /nfs/dbraw/zinc/00/51/24/1170005124.db2.gz XDOKYFWNGQYIQE-SNVBAGLBSA-N -1 1 322.394 0.441 20 0 DCADMM CCc1ccc(NC(=O)C(=O)N2CCNC[C@H]2C)c(C(=O)[O-])c1 ZINC001605817253 1170007393 /nfs/dbraw/zinc/00/73/93/1170007393.db2.gz DCUTZRVNCVUVQP-SNVBAGLBSA-N -1 1 319.361 0.706 20 0 DCADMM Cc1ccc(N2CCC3=C(CCC(=O)N3)C2)nc1-c1nnn[n-]1 ZINC001605865124 1170016069 /nfs/dbraw/zinc/01/60/69/1170016069.db2.gz SAGNTTBUSJTYTI-UHFFFAOYSA-N -1 1 311.349 0.944 20 0 DCADMM Cc1ccc(N2CCC3=C(CCC(=O)N3)C2)nc1-c1nn[n-]n1 ZINC001605865124 1170016077 /nfs/dbraw/zinc/01/60/77/1170016077.db2.gz SAGNTTBUSJTYTI-UHFFFAOYSA-N -1 1 311.349 0.944 20 0 DCADMM Cc1cccc(CNC(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)c1 ZINC001605914799 1170025526 /nfs/dbraw/zinc/02/55/26/1170025526.db2.gz VPHTXBBRJTXNKJ-UHFFFAOYSA-N -1 1 324.344 0.653 20 0 DCADMM Cc1cccc(C[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001605911952 1170025610 /nfs/dbraw/zinc/02/56/10/1170025610.db2.gz LENDJHLCPAOBCE-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1cccc(C[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001605911952 1170025615 /nfs/dbraw/zinc/02/56/15/1170025615.db2.gz LENDJHLCPAOBCE-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM CCn1nc(C)c(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1C ZINC001605937067 1170029773 /nfs/dbraw/zinc/02/97/73/1170029773.db2.gz NNLMVFBVNDXPDQ-ZDUSSCGKSA-N -1 1 319.365 0.598 20 0 DCADMM Cc1csc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001606004575 1170045349 /nfs/dbraw/zinc/04/53/49/1170045349.db2.gz DQPLTRHMXMPVDM-ZETCQYMHSA-N -1 1 320.338 0.528 20 0 DCADMM Cc1n[nH]c(C)c1C[C@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001606009974 1170046916 /nfs/dbraw/zinc/04/69/16/1170046916.db2.gz SXUQKUJMAPKLRE-LURJTMIESA-N -1 1 315.341 0.504 20 0 DCADMM Cc1nc(CN(C)C(=O)Cc2ccc(-c3nnn[n-]3)nc2)no1 ZINC001606042073 1170061716 /nfs/dbraw/zinc/06/17/16/1170061716.db2.gz JPHWGUPMLVMURH-UHFFFAOYSA-N -1 1 314.309 0.154 20 0 DCADMM Cc1nc(CN(C)C(=O)Cc2ccc(-c3nn[n-]n3)nc2)no1 ZINC001606042073 1170061720 /nfs/dbraw/zinc/06/17/20/1170061720.db2.gz JPHWGUPMLVMURH-UHFFFAOYSA-N -1 1 314.309 0.154 20 0 DCADMM CN(C)Cc1ccsc1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001606036634 1170061832 /nfs/dbraw/zinc/06/18/32/1170061832.db2.gz RRJWCUGBHJVGAH-GHMZBOCLSA-N -1 1 312.391 0.717 20 0 DCADMM Cc1nc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)c(C)s1 ZINC001606040669 1170062977 /nfs/dbraw/zinc/06/29/77/1170062977.db2.gz PCKZPMRPKZFYPW-UHFFFAOYSA-N -1 1 304.339 0.844 20 0 DCADMM CN(CC(=O)N[C@]1(CC(=O)[O-])CCOC1)[C@H]1CCSC1 ZINC001606080698 1170071356 /nfs/dbraw/zinc/07/13/56/1170071356.db2.gz LYMWPMYVQLSTAQ-GWCFXTLKSA-N -1 1 302.396 0.174 20 0 DCADMM CN(CC(=O)NC[C@@]1(C(=O)[O-])CCOC1)[C@@H]1CCSC1 ZINC001606080891 1170071853 /nfs/dbraw/zinc/07/18/53/1170071853.db2.gz WVMPGBFLKWMLKI-MFKMUULPSA-N -1 1 302.396 0.031 20 0 DCADMM Cc1nn(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)c(C)c1Cl ZINC001606114347 1170079842 /nfs/dbraw/zinc/07/98/42/1170079842.db2.gz KYWCBJRXCIITSR-UHFFFAOYSA-N -1 1 321.732 0.695 20 0 DCADMM Cc1nn(CC(=O)N[C@H](C)C(C)C)c(=O)c(-c2nn[n-]n2)c1C ZINC001606115377 1170080481 /nfs/dbraw/zinc/08/04/81/1170080481.db2.gz YLQPZNPXCVHATJ-SECBINFHSA-N -1 1 319.369 0.201 20 0 DCADMM Cc1nsc(N(C)C(=O)[C@H]2CC(=O)N(C)C2)c1-c1nnn[n-]1 ZINC001606139194 1170093114 /nfs/dbraw/zinc/09/31/14/1170093114.db2.gz FIUOXAYXHXZNSR-ZETCQYMHSA-N -1 1 321.366 0.073 20 0 DCADMM Cc1nsc(N(C)C(=O)[C@H]2CC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC001606139194 1170093123 /nfs/dbraw/zinc/09/31/23/1170093123.db2.gz FIUOXAYXHXZNSR-ZETCQYMHSA-N -1 1 321.366 0.073 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCNC(=O)CC1(C)C ZINC001606165781 1170097431 /nfs/dbraw/zinc/09/74/31/1170097431.db2.gz KYAVYUHNVXTYBP-UHFFFAOYSA-N -1 1 318.337 0.509 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCNC(=O)CC1(C)C ZINC001606165781 1170097437 /nfs/dbraw/zinc/09/74/37/1170097437.db2.gz KYAVYUHNVXTYBP-UHFFFAOYSA-N -1 1 318.337 0.509 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@@H]1C(N)=O ZINC001606165910 1170097512 /nfs/dbraw/zinc/09/75/12/1170097512.db2.gz LUNJGSAQQIHPTG-SECBINFHSA-N -1 1 304.310 0.248 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@@H]1C(N)=O ZINC001606165910 1170097518 /nfs/dbraw/zinc/09/75/18/1170097518.db2.gz LUNJGSAQQIHPTG-SECBINFHSA-N -1 1 304.310 0.248 20 0 DCADMM Cc1onc(CC(=O)NC[C@H](C)CCCO)c1-c1nnn[n-]1 ZINC001606179914 1170104414 /nfs/dbraw/zinc/10/44/14/1170104414.db2.gz NTHHJSYDXUIGNQ-MRVPVSSYSA-N -1 1 308.342 0.230 20 0 DCADMM Cc1onc(CC(=O)NC[C@H](C)CCCO)c1-c1nn[n-]n1 ZINC001606179914 1170104417 /nfs/dbraw/zinc/10/44/17/1170104417.db2.gz NTHHJSYDXUIGNQ-MRVPVSSYSA-N -1 1 308.342 0.230 20 0 DCADMM CN1C(=O)NCC12CCN(Cc1cncc(C(=O)[O-])c1)CC2 ZINC001606194859 1170108346 /nfs/dbraw/zinc/10/83/46/1170108346.db2.gz XWZVINZFEDASMB-UHFFFAOYSA-N -1 1 304.350 0.769 20 0 DCADMM Cn1c(=O)[nH]c(N2CCC[C@H]2C2CCC2)c(-c2nn[n-]n2)c1=O ZINC001606201541 1170109593 /nfs/dbraw/zinc/10/95/93/1170109593.db2.gz CIRPMUAMPDBTMH-VIFPVBQESA-N -1 1 317.353 0.023 20 0 DCADMM CN1C[C@@H](OC(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@H]1C(=O)[O-] ZINC001606205958 1170112589 /nfs/dbraw/zinc/11/25/89/1170112589.db2.gz STHSHZLFWPWMBP-RYUDHWBXSA-N -1 1 316.317 0.786 20 0 DCADMM Cn1c(CNC(=O)c2ccc(-c3nnn[n-]3)o2)nnc1C1CC1 ZINC001606216292 1170118811 /nfs/dbraw/zinc/11/88/11/1170118811.db2.gz JQEHYPJINJQSJC-UHFFFAOYSA-N -1 1 314.309 0.396 20 0 DCADMM Cn1c(CNC(=O)c2ccc(-c3nn[n-]n3)o2)nnc1C1CC1 ZINC001606216292 1170118826 /nfs/dbraw/zinc/11/88/26/1170118826.db2.gz JQEHYPJINJQSJC-UHFFFAOYSA-N -1 1 314.309 0.396 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCC2(F)F)n1 ZINC001606223614 1170121123 /nfs/dbraw/zinc/12/11/23/1170121123.db2.gz XCDAWSXDBVZFTM-SSDOTTSWSA-N -1 1 312.284 0.910 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCC2(F)F)n1 ZINC001606223614 1170121131 /nfs/dbraw/zinc/12/11/31/1170121131.db2.gz XCDAWSXDBVZFTM-SSDOTTSWSA-N -1 1 312.284 0.910 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc[nH]c2=O)n1 ZINC001606222853 1170121189 /nfs/dbraw/zinc/12/11/89/1170121189.db2.gz VOXSMYJQMYKWHW-UHFFFAOYSA-N -1 1 315.297 0.023 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc[nH]c2=O)n1 ZINC001606222853 1170121194 /nfs/dbraw/zinc/12/11/94/1170121194.db2.gz VOXSMYJQMYKWHW-UHFFFAOYSA-N -1 1 315.297 0.023 20 0 DCADMM CN1CCN(C(C)(C)CNC(=O)CCSCC(=O)[O-])CC1 ZINC001606237482 1170130552 /nfs/dbraw/zinc/13/05/52/1170130552.db2.gz DGVNOLNIDVDITI-UHFFFAOYSA-N -1 1 317.455 0.337 20 0 DCADMM COC(=O)[C@H](CC(C)C)NC(=O)CN1CC2CC1(C(=O)[O-])C2 ZINC001606324183 1170159723 /nfs/dbraw/zinc/15/97/23/1170159723.db2.gz ADUSKYMZAYGNFI-VTWZXRTESA-N -1 1 312.366 0.239 20 0 DCADMM COC(=O)[C@H](CCC(=O)[O-])N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001606334866 1170162426 /nfs/dbraw/zinc/16/24/26/1170162426.db2.gz VTWLWVKRHYLOLG-QLFBSQMISA-N -1 1 321.373 0.928 20 0 DCADMM COC(=O)C1CCN(C(=O)[C@@H](C)N[C@H](C(=O)[O-])C2CC2)CC1 ZINC001606405719 1170186866 /nfs/dbraw/zinc/18/68/66/1170186866.db2.gz WWVOZWCSDPYBMC-SKDRFNHKSA-N -1 1 312.366 0.239 20 0 DCADMM NC(=O)C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)C1CCCCC1 ZINC001606410653 1170190418 /nfs/dbraw/zinc/19/04/18/1170190418.db2.gz JUIPAYTYTDDZFD-JTQLQIEISA-N -1 1 316.369 0.893 20 0 DCADMM NC(=O)C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)C1CCCCC1 ZINC001606410653 1170190422 /nfs/dbraw/zinc/19/04/22/1170190422.db2.gz JUIPAYTYTDDZFD-JTQLQIEISA-N -1 1 316.369 0.893 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCc2ccccc2O1 ZINC001606444990 1170205465 /nfs/dbraw/zinc/20/54/65/1170205465.db2.gz JWXMLHSHZVTQHL-NSHDSACASA-N -1 1 311.305 0.679 20 0 DCADMM COC(=O)[C@@H](NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)C(C)C ZINC001606505086 1170222205 /nfs/dbraw/zinc/22/22/05/1170222205.db2.gz CIDMOGBISHNKRF-WDEREUQCSA-N -1 1 302.371 0.389 20 0 DCADMM COC(=O)c1c(CN[C@H]2C[C@H](C(=O)[O-])C2)snc1OC ZINC001606528019 1170227623 /nfs/dbraw/zinc/22/76/23/1170227623.db2.gz YSJDAJIKIKAWDU-LJGSYFOKSA-N -1 1 300.336 0.891 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1OC2CCC1CC2 ZINC001606594272 1170238657 /nfs/dbraw/zinc/23/86/57/1170238657.db2.gz GVUWVNMRLQIFRC-UHFFFAOYSA-N -1 1 300.322 0.889 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1OC2CCC1CC2 ZINC001606594272 1170238662 /nfs/dbraw/zinc/23/86/62/1170238662.db2.gz GVUWVNMRLQIFRC-UHFFFAOYSA-N -1 1 300.322 0.889 20 0 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O=C(NOCCN1CCCC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC001606862829 1170316993 /nfs/dbraw/zinc/31/69/93/1170316993.db2.gz LQCBPWRSQOOPQN-UHFFFAOYSA-N -1 1 322.350 0.212 20 0 DCADMM COCCN(CCc1cn(CC(=O)[O-])nn1)Cc1ccc(C)o1 ZINC001606889985 1170322080 /nfs/dbraw/zinc/32/20/80/1170322080.db2.gz LXEPCVFOLSPPCK-UHFFFAOYSA-N -1 1 322.365 0.955 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1OCCc2ccccc21 ZINC001606892636 1170324133 /nfs/dbraw/zinc/32/41/33/1170324133.db2.gz SALLLQSNTYQJDM-NSHDSACASA-N -1 1 311.305 0.842 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1OCCc2ccccc21 ZINC001606892636 1170324142 /nfs/dbraw/zinc/32/41/42/1170324142.db2.gz SALLLQSNTYQJDM-NSHDSACASA-N -1 1 311.305 0.842 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCS1(=O)=O ZINC001606897848 1170325174 /nfs/dbraw/zinc/32/51/74/1170325174.db2.gz VMEWERKXLHGXME-JTQLQIEISA-N -1 1 323.334 0.088 20 0 DCADMM O=C(OC[C@H]1C[C@@]12CCOC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001606964748 1170340098 /nfs/dbraw/zinc/34/00/98/1170340098.db2.gz 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1181559027 /nfs/dbraw/zinc/55/90/27/1181559027.db2.gz ZZFXICNGYWCNOO-UHFFFAOYSA-N -1 1 318.381 0.510 20 0 DCADMM CC1(C(=O)NC2CN(CCC[N-]C(=O)C(F)(F)F)C2)CC1 ZINC001714936638 1181608891 /nfs/dbraw/zinc/60/88/91/1181608891.db2.gz SIBFRKWBTQFRNT-UHFFFAOYSA-N -1 1 307.316 0.656 20 0 DCADMM CCN(CCNCc1csnn1)C(=O)c1ncccc1[O-] ZINC001715728402 1181963226 /nfs/dbraw/zinc/96/32/26/1181963226.db2.gz ASWKVIMPGFEPSK-UHFFFAOYSA-N -1 1 307.379 0.891 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1cc(C2CC2)no1 ZINC001715763705 1181983721 /nfs/dbraw/zinc/98/37/21/1181983721.db2.gz SUUWWWLULXQQNQ-UHFFFAOYSA-N -1 1 320.353 0.628 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)c1ccnc(F)c1 ZINC001717401907 1182822813 /nfs/dbraw/zinc/82/28/13/1182822813.db2.gz YUHPSWUYPDHSKW-HTQZYQBOSA-N -1 1 308.317 0.341 20 0 DCADMM CC(C)(C)/C=C/C(=O)N[C@@H](CO)CNC(=O)c1ncccc1[O-] ZINC001718609845 1183284254 /nfs/dbraw/zinc/28/42/54/1183284254.db2.gz SKKGDJICVFOFTF-XUIVZRPNSA-N -1 1 321.377 0.596 20 0 DCADMM C/C(=C/C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1)C1CC1 ZINC001724140703 1184384156 /nfs/dbraw/zinc/38/41/56/1184384156.db2.gz MFBLAXYIXSGUQR-JXMNSVBMSA-N -1 1 319.409 0.545 20 0 DCADMM O=C([C@@H]1CCCOC1)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001724700074 1184527459 /nfs/dbraw/zinc/52/74/59/1184527459.db2.gz PSMVEMPITSLPIR-VXGBXAGGSA-N -1 1 323.397 0.265 20 0 DCADMM CCOCCC(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001726220115 1185121989 /nfs/dbraw/zinc/12/19/89/1185121989.db2.gz NQQDYSUERYVBFF-HAQNSBGRSA-N -1 1 321.377 0.838 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)C(C1CC1)C1CC1 ZINC001732823418 1185985982 /nfs/dbraw/zinc/98/59/82/1185985982.db2.gz HGSWLWBGCDZSSH-UHFFFAOYSA-N -1 1 307.398 0.885 20 0 DCADMM C/C=C(\C)C(=O)NCCOCCN(C)C(=O)c1ncccc1[O-] ZINC001735111494 1186801671 /nfs/dbraw/zinc/80/16/71/1186801671.db2.gz AYAYIEAYISNMQJ-UUILKARUSA-N -1 1 321.377 0.958 20 0 DCADMM CO[C@@H]1CC[C@@H](C(=O)NCCNC(=O)c2ncccc2[O-])C1 ZINC001736723476 1187066546 /nfs/dbraw/zinc/06/65/46/1187066546.db2.gz YGFSZJLWALDCNZ-GHMZBOCLSA-N -1 1 307.350 0.448 20 0 DCADMM Cc1ccn(CC(=O)NCCCNC(=O)c2ncccc2[O-])n1 ZINC001736916557 1187176439 /nfs/dbraw/zinc/17/64/39/1187176439.db2.gz QSWHIWXYBARSAC-UHFFFAOYSA-N -1 1 317.349 0.228 20 0 DCADMM CN(C(=O)C(=O)C(C)(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001739355576 1187785592 /nfs/dbraw/zinc/78/55/92/1187785592.db2.gz GIIQWVQXPDUAHW-UHFFFAOYSA-N -1 1 319.361 0.685 20 0 DCADMM Cc1cc(C(=O)NC/C=C/CNC(=O)c2ncccc2[O-])on1 ZINC001747076903 1188236088 /nfs/dbraw/zinc/23/60/88/1188236088.db2.gz KYSDGEAZSFIXEV-NSCUHMNNSA-N -1 1 316.317 0.800 20 0 DCADMM CCC[C@H](CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1)OC ZINC001771906823 1188366091 /nfs/dbraw/zinc/36/60/91/1188366091.db2.gz IPASAQOLFFKMIT-UKRRQHHQSA-N -1 1 300.399 0.663 20 0 DCADMM Cc1ccc(C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)cc1F ZINC001753209880 1188536032 /nfs/dbraw/zinc/53/60/32/1188536032.db2.gz IWNXKWQBNFALCL-UHFFFAOYSA-N -1 1 307.329 0.820 20 0 DCADMM CC(C)=CC(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001755092402 1189020459 /nfs/dbraw/zinc/02/04/59/1189020459.db2.gz JSJVHFREPUKHNI-UHFFFAOYSA-N -1 1 309.370 0.232 20 0 DCADMM CC[C@@H](C)[C@@H](OC)C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001757966877 1189645153 /nfs/dbraw/zinc/64/51/53/1189645153.db2.gz KOVQTOWWIPSKBY-ZWNOBZJWSA-N -1 1 309.366 0.694 20 0 DCADMM CCO[C@H](C(=O)NCCCNC(=O)c1ncccc1[O-])C1CC1 ZINC001758159896 1189761024 /nfs/dbraw/zinc/76/10/24/1189761024.db2.gz RPOQIZCMNZKKJS-AWEZNQCLSA-N -1 1 321.377 0.838 20 0 DCADMM COc1cc(C)cnc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001771670475 1190462776 /nfs/dbraw/zinc/46/27/76/1190462776.db2.gz YHLUEXVLMGUGQZ-SNVBAGLBSA-N -1 1 304.310 0.125 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCC[C@@H]1[C@@H](C)CO ZINC001771802455 1190504532 /nfs/dbraw/zinc/50/45/32/1190504532.db2.gz UCNZBYAVBUGACO-DTWKUNHWSA-N -1 1 311.338 0.520 20 0 DCADMM CC(C)C[C@@H](CNC(=O)NCCN1CC[C@@H](O)C1)C(=O)[O-] ZINC001771819874 1190512804 /nfs/dbraw/zinc/51/28/04/1190512804.db2.gz KXDVBMJAROVFEO-NWDGAFQWSA-N -1 1 301.387 0.099 20 0 DCADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCc2nc[nH]n2)C1 ZINC001771867947 1190535427 /nfs/dbraw/zinc/53/54/27/1190535427.db2.gz QSTKRAKZKNVMLG-LLVKDONJSA-N -1 1 319.287 0.407 20 0 DCADMM C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CCN1CC(C)(C)O ZINC001771921815 1190557742 /nfs/dbraw/zinc/55/77/42/1190557742.db2.gz YFFQNKMEZDDJCJ-UPJWGTAASA-N -1 1 312.410 0.791 20 0 DCADMM CCn1c(Cc2nnn[n-]2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001772185679 1190624817 /nfs/dbraw/zinc/62/48/17/1190624817.db2.gz KLVCIAARBBNNME-LLVKDONJSA-N -1 1 310.312 0.637 20 0 DCADMM CCn1c(Cc2nn[n-]n2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001772185679 1190624820 /nfs/dbraw/zinc/62/48/20/1190624820.db2.gz KLVCIAARBBNNME-LLVKDONJSA-N -1 1 310.312 0.637 20 0 DCADMM CCn1c(Cc2nnn[n-]2)nnc1N1CCOC2(CCC2)C1 ZINC001772206460 1190629469 /nfs/dbraw/zinc/62/94/69/1190629469.db2.gz IZUCNBDKLOBPMD-UHFFFAOYSA-N -1 1 304.358 0.161 20 0 DCADMM CCn1c(Cc2nn[n-]n2)nnc1N1CCOC2(CCC2)C1 ZINC001772206460 1190629472 /nfs/dbraw/zinc/62/94/72/1190629472.db2.gz IZUCNBDKLOBPMD-UHFFFAOYSA-N -1 1 304.358 0.161 20 0 DCADMM CC[C@@H]1CCCCN1c1nnc(Cc2nnn[n-]2)n1CCOC ZINC001772294160 1190655935 /nfs/dbraw/zinc/65/59/35/1190655935.db2.gz DIIFEGRRUMUTRP-LLVKDONJSA-N -1 1 320.401 0.797 20 0 DCADMM CC[C@@H]1CCCCN1c1nnc(Cc2nn[n-]n2)n1CCOC ZINC001772294160 1190655936 /nfs/dbraw/zinc/65/59/36/1190655936.db2.gz DIIFEGRRUMUTRP-LLVKDONJSA-N -1 1 320.401 0.797 20 0 DCADMM CN(C[C@H]1CCCOC1)c1nnc(-c2nnn[n-]2)n1CC1CC1 ZINC001772421385 1190678241 /nfs/dbraw/zinc/67/82/41/1190678241.db2.gz PJJNFKAFZOPXCK-LLVKDONJSA-N -1 1 318.385 0.731 20 0 DCADMM CN(C[C@H]1CCCOC1)c1nnc(-c2nn[n-]n2)n1CC1CC1 ZINC001772421385 1190678244 /nfs/dbraw/zinc/67/82/44/1190678244.db2.gz PJJNFKAFZOPXCK-LLVKDONJSA-N -1 1 318.385 0.731 20 0 DCADMM CN(C(=O)[C@@]1(C)CC=CCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001042781164 751906909 /nfs/dbraw/zinc/90/69/09/751906909.db2.gz SXHRFFAQWKIPSW-INIZCTEOSA-N -1 1 319.409 0.497 20 0 DCADMM CC[C@H](C)CC(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1 ZINC001042791634 751911595 /nfs/dbraw/zinc/91/15/95/751911595.db2.gz NLCHAVZNHRROTQ-NSHDSACASA-N -1 1 321.377 0.527 20 0 DCADMM CN(C(=O)[C@@H]1CCCC12CC2)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001043075749 752064258 /nfs/dbraw/zinc/06/42/58/752064258.db2.gz GBVLGEVUHXQHKV-LBPRGKRZSA-N -1 1 319.409 0.331 20 0 DCADMM CCC(CC)CN1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001043230938 752143932 /nfs/dbraw/zinc/14/39/32/752143932.db2.gz JXRDKWBDIFUUTN-UHFFFAOYSA-N -1 1 309.370 0.475 20 0 DCADMM CCCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1Cc1n[nH]c(=O)[n-]1 ZINC001087331132 747671743 /nfs/dbraw/zinc/67/17/43/747671743.db2.gz RCOZOBSIQOFHJY-RVMXOQNASA-N -1 1 319.409 0.979 20 0 DCADMM CC(C)(C)n1ncnc1CNCCNC(=O)c1ncccc1[O-] ZINC001126119462 748227592 /nfs/dbraw/zinc/22/75/92/748227592.db2.gz SEJYTMRQKQRHRW-UHFFFAOYSA-N -1 1 318.381 0.653 20 0 DCADMM CN(C(=O)C(C)(C)C1CCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001043486122 752251454 /nfs/dbraw/zinc/25/14/54/752251454.db2.gz YHFYANIDEUGUQN-UHFFFAOYSA-N -1 1 321.425 0.577 20 0 DCADMM CN(C(=O)C1(C)CCCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001043497180 752257119 /nfs/dbraw/zinc/25/71/19/752257119.db2.gz NFIBYIWXUHZJBH-UHFFFAOYSA-N -1 1 307.398 0.331 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)CCN1CCF ZINC001087753029 749039841 /nfs/dbraw/zinc/03/98/41/749039841.db2.gz PBHWZKGMHZGCDA-NWDGAFQWSA-N -1 1 321.356 0.575 20 0 DCADMM Cc1nc(CN2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)co1 ZINC001083423263 749270282 /nfs/dbraw/zinc/27/02/82/749270282.db2.gz MYOPHURAHUVSES-YPMHNXCESA-N -1 1 318.333 0.059 20 0 DCADMM COCCC(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516854 749275626 /nfs/dbraw/zinc/27/56/26/749275626.db2.gz WLOFNWOYLFPIDZ-GFCCVEGCSA-N -1 1 321.377 0.792 20 0 DCADMM O=C(c1cn[nH]c1)N1CCCCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088270349 749325431 /nfs/dbraw/zinc/32/54/31/749325431.db2.gz GCXABIMKICKNIU-LLVKDONJSA-N -1 1 319.369 0.408 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)CC2CCCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088452524 749459799 /nfs/dbraw/zinc/45/97/99/749459799.db2.gz QAAOVOKRKLJWFI-YPMHNXCESA-N -1 1 321.425 0.768 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC001089125000 750809828 /nfs/dbraw/zinc/80/98/28/750809828.db2.gz NEKZCLJUCXSJGF-JTQLQIEISA-N -1 1 319.369 0.360 20 0 DCADMM Cn1[n-]c(CN2CCN(C(=O)CCC(C)(F)F)CC2)nc1=O ZINC001113027927 762096299 /nfs/dbraw/zinc/09/62/99/762096299.db2.gz IVUUFYGIUKWLRT-UHFFFAOYSA-N -1 1 317.340 0.188 20 0 DCADMM CCC/C=C/CCN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001113071217 762123200 /nfs/dbraw/zinc/12/32/00/762123200.db2.gz LMPKIDXVQRQNTP-SNAWJCMRSA-N -1 1 321.381 0.787 20 0 DCADMM CC[C@H](C)C(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078341925 753191806 /nfs/dbraw/zinc/19/18/06/753191806.db2.gz ORJSEFPAFOVRKM-WDEREUQCSA-N -1 1 311.386 0.264 20 0 DCADMM O=C(C1=CCCC1)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078379777 753211388 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O=C(NCCCNC(=O)[C@H]1C[C@@]12CCOC2)c1ncccc1[O-] ZINC001491678253 959124703 /nfs/dbraw/zinc/12/47/03/959124703.db2.gz FWQHXSATSWSJPI-BDJLRTHQSA-N -1 1 319.361 0.450 20 0 DCADMM CC(C)(CS(C)(=O)=O)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001362327485 959149969 /nfs/dbraw/zinc/14/99/69/959149969.db2.gz NPHCXLSMIIHTSK-UHFFFAOYSA-N -1 1 313.379 0.613 20 0 DCADMM O=C(c1cc2n(n1)CCC[C@@H]2O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001362352887 959197979 /nfs/dbraw/zinc/19/79/79/959197979.db2.gz IVPFKHFTNOLVOL-CABZTGNLSA-N -1 1 317.353 0.243 20 0 DCADMM O=C(CCN1CC[C@H](F)C1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC001362360568 959211033 /nfs/dbraw/zinc/21/10/33/959211033.db2.gz XHDITXOBNNWSFA-JTQLQIEISA-N -1 1 320.328 0.740 20 0 DCADMM COc1cccnc1CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001362375511 959243452 /nfs/dbraw/zinc/24/34/52/959243452.db2.gz NJAJHKNRMCWBHB-JTQLQIEISA-N -1 1 302.338 0.552 20 0 DCADMM COCC[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(N)=O ZINC001362377812 959245468 /nfs/dbraw/zinc/24/54/68/959245468.db2.gz KXNWSXJYWSIHMU-SNVBAGLBSA-N -1 1 300.742 0.595 20 0 DCADMM CSc1ncc(C(=O)N2CCOC[C@@]23CCOC3)c(=O)[n-]1 ZINC001362387659 959257263 /nfs/dbraw/zinc/25/72/63/959257263.db2.gz MMHQRGDFCWRJMY-ZDUSSCGKSA-N -1 1 311.363 0.536 20 0 DCADMM CCC[C@H](NC(=O)c1cnc(C2OCCO2)s1)c1nn[n-]n1 ZINC001362389076 959261729 /nfs/dbraw/zinc/26/17/29/959261729.db2.gz ADJRCODYUYSVQL-ZETCQYMHSA-N -1 1 324.366 0.973 20 0 DCADMM CC[C@@]1(CO)CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001362397168 959276649 /nfs/dbraw/zinc/27/66/49/959276649.db2.gz MLFMAMLZWOMLMV-CQSZACIVSA-N -1 1 311.338 0.521 20 0 DCADMM O=C(c1cc(Cl)no1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001362406834 959297167 /nfs/dbraw/zinc/29/71/67/959297167.db2.gz LIEOQRNOIWUGTM-RXMQYKEDSA-N -1 1 300.731 0.771 20 0 DCADMM O=C(COCc1ccncc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001362408641 959300444 /nfs/dbraw/zinc/30/04/44/959300444.db2.gz UAUVBUPVSFGPEL-LBPRGKRZSA-N -1 1 302.338 0.518 20 0 DCADMM C[C@@H]1CCCC[C@H]1OCC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001362435170 959346848 /nfs/dbraw/zinc/34/68/48/959346848.db2.gz IIAQKFKLTPJYTP-VXGBXAGGSA-N -1 1 323.397 0.605 20 0 DCADMM O=C(c1coc(C2CC2)n1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001362436808 959350800 /nfs/dbraw/zinc/35/08/00/959350800.db2.gz MHRYUUMYPBCLCC-UHFFFAOYSA-N -1 1 304.310 0.189 20 0 DCADMM CCOC(=O)c1cc(NC(=O)c2cn(C[C@H](O)CC)nn2)n[nH]1 ZINC001362448402 959375831 /nfs/dbraw/zinc/37/58/31/959375831.db2.gz CVCCVXCIZUVPMO-MRVPVSSYSA-N -1 1 322.325 0.201 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)C(C)(C)O)o1 ZINC001362459956 959399499 /nfs/dbraw/zinc/39/94/99/959399499.db2.gz LPIAUHHCXLKERZ-QMMMGPOBSA-N -1 1 304.368 0.419 20 0 DCADMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC001594224629 959410415 /nfs/dbraw/zinc/41/04/15/959410415.db2.gz JSOJLOZKJWQGRU-PWZJLYFZSA-N -1 1 301.306 0.516 20 0 DCADMM C[C@@H](CN(C)C(=O)c1cncc(N2CCCC2)n1)c1nn[n-]n1 ZINC001362488545 959452046 /nfs/dbraw/zinc/45/20/46/959452046.db2.gz IYPHQYOCGSNHIS-JTQLQIEISA-N -1 1 316.369 0.466 20 0 DCADMM Cn1cc([C@@H]2C[C@H](NC(=O)CCCc3nn[n-]n3)CCO2)cn1 ZINC001362495696 959467450 /nfs/dbraw/zinc/46/74/50/959467450.db2.gz NSGCNHJPTCJYAM-NEPJUHHUSA-N -1 1 319.369 0.292 20 0 DCADMM COC[C@@H](C(N)=O)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001362495519 959467678 /nfs/dbraw/zinc/46/76/78/959467678.db2.gz MJPDBHIQDWLJCM-ZDUSSCGKSA-N -1 1 318.329 0.823 20 0 DCADMM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)CCCc1nn[n-]n1 ZINC001362502781 959480909 /nfs/dbraw/zinc/48/09/09/959480909.db2.gz SIQYMUGWBDCLHR-LLVKDONJSA-N -1 1 319.369 0.462 20 0 DCADMM C[C@H](O)[C@@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001362509859 959493184 /nfs/dbraw/zinc/49/31/84/959493184.db2.gz INQCTOUGYNVIDM-WDEREUQCSA-N -1 1 307.350 0.136 20 0 DCADMM Cc1cccc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)c1 ZINC001377123827 959505989 /nfs/dbraw/zinc/50/59/89/959505989.db2.gz XPSKQBCLOJDSOX-UHFFFAOYSA-N -1 1 303.366 0.279 20 0 DCADMM O=C(Nc1cc([O-])c(F)cc1F)c1cnn(C[C@H](O)CO)c1 ZINC001362518028 959510358 /nfs/dbraw/zinc/51/03/58/959510358.db2.gz YJCKKOVCPZDOPW-QMMMGPOBSA-N -1 1 313.260 0.472 20 0 DCADMM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cnncc2[O-])cn1 ZINC001362517916 959511650 /nfs/dbraw/zinc/51/16/50/959511650.db2.gz PCLDNUWFCUKKDE-NSHDSACASA-N -1 1 315.333 0.793 20 0 DCADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@H](O)Cn1ccnn1 ZINC001362537594 959547277 /nfs/dbraw/zinc/54/72/77/959547277.db2.gz SVLRXVKMMDYFRK-JTQLQIEISA-N -1 1 310.741 0.357 20 0 DCADMM O=C(c1ccnc2c1CC(=O)N2)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001362545066 959566774 /nfs/dbraw/zinc/56/67/74/959566774.db2.gz UHTLDSIQGZFWLE-MRVPVSSYSA-N -1 1 313.321 0.109 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC2(C1)CN(C)C(=O)O2 ZINC001362569086 959616417 /nfs/dbraw/zinc/61/64/17/959616417.db2.gz IVKAFTKUVDILNN-UHFFFAOYSA-N -1 1 324.362 0.489 20 0 DCADMM O=C(CCc1nn[n-]n1)NC[C@H](CO)Cc1ccncc1Cl ZINC001362613365 959697813 /nfs/dbraw/zinc/69/78/13/959697813.db2.gz SOPSQYVIBRYROP-SECBINFHSA-N -1 1 324.772 0.148 20 0 DCADMM COCc1nnc2n1CCN(C(=O)c1ccc(F)c([O-])c1)C2 ZINC001362644900 959755354 /nfs/dbraw/zinc/75/53/54/959755354.db2.gz SAJIIKFVHNAXOH-UHFFFAOYSA-N -1 1 306.297 0.925 20 0 DCADMM CC[C@@H](O)[C@@H]1CCCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001362644035 959756503 /nfs/dbraw/zinc/75/65/03/959756503.db2.gz UPNURPODQDOFPX-NWDGAFQWSA-N -1 1 321.377 0.669 20 0 DCADMM CC(C)(C)CCN1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001588651762 959774605 /nfs/dbraw/zinc/77/46/05/959774605.db2.gz RSGOMTZTYXIOGN-GFCCVEGCSA-N -1 1 311.382 0.796 20 0 DCADMM O=C(CCc1nn[n-]n1)NCC1([C@@H](O)c2ccccc2)CC1 ZINC001362657734 959780315 /nfs/dbraw/zinc/78/03/15/959780315.db2.gz YWHJLLYDKWALAJ-AWEZNQCLSA-N -1 1 301.350 0.762 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2cn(C)nc2C)n[n-]1 ZINC001362660947 959785175 /nfs/dbraw/zinc/78/51/75/959785175.db2.gz QMQXDNPFZPAWCX-VIFPVBQESA-N -1 1 320.353 0.443 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2cn(C)nc2C)[n-]1 ZINC001362660947 959785186 /nfs/dbraw/zinc/78/51/86/959785186.db2.gz QMQXDNPFZPAWCX-VIFPVBQESA-N -1 1 320.353 0.443 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2cn(C)nc2C)n1 ZINC001362660947 959785198 /nfs/dbraw/zinc/78/51/98/959785198.db2.gz QMQXDNPFZPAWCX-VIFPVBQESA-N -1 1 320.353 0.443 20 0 DCADMM CCOC(=O)c1nc([C@@H](C)NC(=O)C[C@@H]2CCCC(=O)N2)n[n-]1 ZINC001362660425 959787826 /nfs/dbraw/zinc/78/78/26/959787826.db2.gz MZRLMOUEODTDSZ-BDAKNGLRSA-N -1 1 323.353 0.217 20 0 DCADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C[C@@H]2CCCC(=O)N2)[n-]1 ZINC001362660425 959787831 /nfs/dbraw/zinc/78/78/31/959787831.db2.gz MZRLMOUEODTDSZ-BDAKNGLRSA-N -1 1 323.353 0.217 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C[C@@H]2CCCC(=O)N2)n1 ZINC001362660425 959787838 /nfs/dbraw/zinc/78/78/38/959787838.db2.gz MZRLMOUEODTDSZ-BDAKNGLRSA-N -1 1 323.353 0.217 20 0 DCADMM CC(C)CC[C@H](CO)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001362668837 959799373 /nfs/dbraw/zinc/79/93/73/959799373.db2.gz GSCDVEGUBQWJCE-LLVKDONJSA-N -1 1 309.366 0.430 20 0 DCADMM O=C(c1coc(C2CC2)n1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001362688803 959831774 /nfs/dbraw/zinc/83/17/74/959831774.db2.gz XAQAQUNDFYYKOQ-VIFPVBQESA-N -1 1 306.351 0.995 20 0 DCADMM COCCn1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cn1 ZINC001362701369 959855442 /nfs/dbraw/zinc/85/54/42/959855442.db2.gz GRJXFZBVFWKSAW-SNVBAGLBSA-N -1 1 321.337 0.638 20 0 DCADMM CN1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000225782882 959863915 /nfs/dbraw/zinc/86/39/15/959863915.db2.gz YDXZKDAUHADYOX-CYBMUJFWSA-N -1 1 312.391 0.898 20 0 DCADMM CN(C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)c1nn[nH]n1 ZINC001362715095 959876417 /nfs/dbraw/zinc/87/64/17/959876417.db2.gz CEXIFZHAVBEYTF-QMMMGPOBSA-N -1 1 308.342 0.420 20 0 DCADMM CN(C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)c1nn[n-]n1 ZINC001362715095 959876427 /nfs/dbraw/zinc/87/64/27/959876427.db2.gz CEXIFZHAVBEYTF-QMMMGPOBSA-N -1 1 308.342 0.420 20 0 DCADMM O=C(CC[C@H]1CCCO1)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001368457636 959893019 /nfs/dbraw/zinc/89/30/19/959893019.db2.gz IHZYGWNSRAJNTD-LLVKDONJSA-N -1 1 323.397 0.598 20 0 DCADMM O=C(CCCC(=O)N1CCC(O)(c2nn[n-]n2)CC1)C1CC1 ZINC001362723952 959894774 /nfs/dbraw/zinc/89/47/74/959894774.db2.gz KLYIBDKHLHLJKQ-UHFFFAOYSA-N -1 1 307.354 0.159 20 0 DCADMM CCN(CCNC(=O)[C@H]1CC[C@@H](C)C1)Cc1nc(=O)n(C)[n-]1 ZINC001377334952 959939489 /nfs/dbraw/zinc/93/94/89/959939489.db2.gz CNRMGLNHWPSLRJ-NEPJUHHUSA-N -1 1 309.414 0.483 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC001362777167 959972959 /nfs/dbraw/zinc/97/29/59/959972959.db2.gz QPFMKJYJPGWKMF-QMMMGPOBSA-N -1 1 311.338 0.784 20 0 DCADMM CCC(CC)(NC(=O)CCCN(C)C(=O)OC)c1nn[n-]n1 ZINC001362789290 959989945 /nfs/dbraw/zinc/98/99/45/959989945.db2.gz XLBBVTAQQMEXRU-UHFFFAOYSA-N -1 1 312.374 0.810 20 0 DCADMM CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)c1ncccc1O ZINC001368539574 959997027 /nfs/dbraw/zinc/99/70/27/959997027.db2.gz LHMRKWLPJDZPIQ-LLVKDONJSA-N -1 1 306.366 0.070 20 0 DCADMM Cn1cc(CNC(=O)c2cc(Cl)ccc2[O-])c(=O)[nH]c1=O ZINC001362797663 960003213 /nfs/dbraw/zinc/00/32/13/960003213.db2.gz 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/nfs/dbraw/zinc/94/18/51/598941851.db2.gz XTSPCFOTXHLFKK-UHFFFAOYSA-N -1 1 322.760 0.506 20 0 DCADMM c1ncn(CCNc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000738437301 598959439 /nfs/dbraw/zinc/95/94/39/598959439.db2.gz NZMIRYSIVJICKC-UHFFFAOYSA-N -1 1 308.309 0.514 20 0 DCADMM c1ncn(CCNc2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC000738437301 598959440 /nfs/dbraw/zinc/95/94/40/598959440.db2.gz NZMIRYSIVJICKC-UHFFFAOYSA-N -1 1 308.309 0.514 20 0 DCADMM NC(=O)C1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC000737740375 598993169 /nfs/dbraw/zinc/99/31/69/598993169.db2.gz SKHPRVORIZBRFB-UHFFFAOYSA-N -1 1 315.337 0.180 20 0 DCADMM NC(=O)C1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC000737740375 598993172 /nfs/dbraw/zinc/99/31/72/598993172.db2.gz SKHPRVORIZBRFB-UHFFFAOYSA-N -1 1 315.337 0.180 20 0 DCADMM Cn1nc2c(c1NC(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737624709 598997618 /nfs/dbraw/zinc/99/76/18/598997618.db2.gz ZFIMFANKOLYJEC-UHFFFAOYSA-N -1 1 310.321 0.736 20 0 DCADMM Cn1nc2c(c1NC(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 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CC(C)(C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735622490 599131396 /nfs/dbraw/zinc/13/13/96/599131396.db2.gz AFKBDXMVUKNBFC-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM CC(C)(C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735622490 599131397 /nfs/dbraw/zinc/13/13/97/599131397.db2.gz AFKBDXMVUKNBFC-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM Cn1cc(CCCOC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000737603088 599135079 /nfs/dbraw/zinc/13/50/79/599135079.db2.gz TUMCJNYNSCVADF-UHFFFAOYSA-N -1 1 313.321 0.785 20 0 DCADMM Cn1cc(CCCOC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000737603088 599135080 /nfs/dbraw/zinc/13/50/80/599135080.db2.gz TUMCJNYNSCVADF-UHFFFAOYSA-N -1 1 313.321 0.785 20 0 DCADMM O=C([O-])CCN1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000319943603 597003279 /nfs/dbraw/zinc/00/32/79/597003279.db2.gz HBAYCRDZPOBRRO-UHFFFAOYSA-N -1 1 316.365 0.255 20 0 DCADMM CCCCc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n[nH]1 ZINC000821077791 607319857 /nfs/dbraw/zinc/31/98/57/607319857.db2.gz TXMIVJQURULSEQ-UHFFFAOYSA-N -1 1 316.329 0.163 20 0 DCADMM O=C([O-])c1ccccc1NC(=O)C(=O)NCCN1CCCC1 ZINC000821425942 598174644 /nfs/dbraw/zinc/17/46/44/598174644.db2.gz BIVNPSMPRNLNSY-UHFFFAOYSA-N -1 1 305.334 0.535 20 0 DCADMM CC(C)[C@@H](NCC(=O)NC[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000820041563 598189480 /nfs/dbraw/zinc/18/94/80/598189480.db2.gz JOFGXKCHNPLYTB-IAQYHMDHSA-N -1 1 322.361 0.641 20 0 DCADMM C[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736267988 598258754 /nfs/dbraw/zinc/25/87/54/598258754.db2.gz VNDZASRANOJBMY-VIFPVBQESA-N -1 1 308.367 0.825 20 0 DCADMM C[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736267988 598258755 /nfs/dbraw/zinc/25/87/55/598258755.db2.gz VNDZASRANOJBMY-VIFPVBQESA-N -1 1 308.367 0.825 20 0 DCADMM c1ccc2c(c1)OC[C@@H](CNc1nccnc1-c1nnn[n-]1)O2 ZINC000738439616 598336984 /nfs/dbraw/zinc/33/69/84/598336984.db2.gz AVFZOLJGBQDZOA-SECBINFHSA-N -1 1 311.305 0.909 20 0 DCADMM c1ccc2c(c1)OC[C@@H](CNc1nccnc1-c1nn[n-]n1)O2 ZINC000738439616 598336985 /nfs/dbraw/zinc/33/69/85/598336985.db2.gz 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ZINC000833395891 605163914 /nfs/dbraw/zinc/16/39/14/605163914.db2.gz SVRSSALMOROZOU-BXUZGUMPSA-N -1 1 313.398 0.155 20 0 DCADMM O=C([O-])NC[C@H]1CCCN(CC2CCS(=O)(=O)CC2)C1 ZINC000834220002 605423990 /nfs/dbraw/zinc/42/39/90/605423990.db2.gz LWLPXLYBAUADAZ-GFCCVEGCSA-N -1 1 304.412 0.791 20 0 DCADMM CC[C@@H](CO)N1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000826587533 605446730 /nfs/dbraw/zinc/44/67/30/605446730.db2.gz VFUZNFADWDFCBX-NSHDSACASA-N -1 1 301.387 0.338 20 0 DCADMM O=C([O-])CCCN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000833774207 605497906 /nfs/dbraw/zinc/49/79/06/605497906.db2.gz ZUNBIKLNTOSURO-UHFFFAOYSA-N -1 1 304.412 0.046 20 0 DCADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(CCF)C1 ZINC000834031174 605522889 /nfs/dbraw/zinc/52/28/89/605522889.db2.gz SZOPFJZAHZNUSL-VXGBXAGGSA-N -1 1 301.362 0.927 20 0 DCADMM CC(C)CNC(=O)NC(=O)CN1CC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000833797177 605561787 /nfs/dbraw/zinc/56/17/87/605561787.db2.gz UJHGGXMXTGOYGG-WDEREUQCSA-N -1 1 314.386 0.446 20 0 DCADMM O=C([O-])N[C@@H](CC(=O)NCCc1nc[nH]n1)c1ccccc1 ZINC000834128051 605617193 /nfs/dbraw/zinc/61/71/93/605617193.db2.gz SGCQYCIUKNIGMM-NSHDSACASA-N -1 1 303.322 0.862 20 0 DCADMM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NCCCCN1CCOCC1 ZINC000823847809 605635695 /nfs/dbraw/zinc/63/56/95/605635695.db2.gz TZIGDPQNQLZGOK-GFCCVEGCSA-N -1 1 315.414 0.897 20 0 DCADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)N1CCNC1=O ZINC000832235166 605941065 /nfs/dbraw/zinc/94/10/65/605941065.db2.gz YYEFRFPDLKRDBT-FGWVZKOKSA-N -1 1 310.354 0.191 20 0 DCADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)OCCc1c[nH]nn1 ZINC000832148247 605952694 /nfs/dbraw/zinc/95/26/94/605952694.db2.gz OBLDIRVQQZQIBN-LBPRGKRZSA-N -1 1 304.306 0.769 20 0 DCADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)OCCc1cnn[nH]1 ZINC000832148247 605952696 /nfs/dbraw/zinc/95/26/96/605952696.db2.gz OBLDIRVQQZQIBN-LBPRGKRZSA-N -1 1 304.306 0.769 20 0 DCADMM O=C([O-])N(CC(=O)N1CCN(C[C@H]2CCOC2)CC1)C1CC1 ZINC000833997567 605970467 /nfs/dbraw/zinc/97/04/67/605970467.db2.gz FUNDHKIQOQUDRR-GFCCVEGCSA-N -1 1 311.382 0.310 20 0 DCADMM O=C([O-])N(CC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000833997264 605984242 /nfs/dbraw/zinc/98/42/42/605984242.db2.gz CSFWQZUUMMYHLH-OLZOCXBDSA-N -1 1 311.382 0.186 20 0 DCADMM O=C([O-])Nc1cnc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cn1 ZINC000834276382 606060783 /nfs/dbraw/zinc/06/07/83/606060783.db2.gz SCTTWVPDUBXUQF-SSDOTTSWSA-N -1 1 318.297 0.099 20 0 DCADMM O=C([O-])Nc1cnc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cn1 ZINC000834276382 606060789 /nfs/dbraw/zinc/06/07/89/606060789.db2.gz SCTTWVPDUBXUQF-SSDOTTSWSA-N -1 1 318.297 0.099 20 0 DCADMM C[C@H](Cn1cccn1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820306738 606156088 /nfs/dbraw/zinc/15/60/88/606156088.db2.gz DJHZMNWXODELLE-MRVPVSSYSA-N -1 1 316.329 0.007 20 0 DCADMM C[C@H](Cn1cccn1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820306738 606156090 /nfs/dbraw/zinc/15/60/90/606156090.db2.gz DJHZMNWXODELLE-MRVPVSSYSA-N -1 1 316.329 0.007 20 0 DCADMM CO[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)C ZINC000821677497 606172995 /nfs/dbraw/zinc/17/29/95/606172995.db2.gz YIYGHGLBCMSCHX-SECBINFHSA-N -1 1 308.346 0.393 20 0 DCADMM CO[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC000821677497 606172996 /nfs/dbraw/zinc/17/29/96/606172996.db2.gz YIYGHGLBCMSCHX-SECBINFHSA-N -1 1 308.346 0.393 20 0 DCADMM Nc1n[nH]c(CCCNc2ncc(Cl)cn2)c1-c1nn[n-]n1 ZINC000822899547 606240047 /nfs/dbraw/zinc/24/00/47/606240047.db2.gz KKUAGBIAAZSGKJ-UHFFFAOYSA-N -1 1 320.748 0.660 20 0 DCADMM Cc1nnc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000822510646 606444235 /nfs/dbraw/zinc/44/42/35/606444235.db2.gz SPXVDNAYPZQAKD-UHFFFAOYSA-N -1 1 320.386 0.401 20 0 DCADMM Cc1nnc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000822510646 606444236 /nfs/dbraw/zinc/44/42/36/606444236.db2.gz SPXVDNAYPZQAKD-UHFFFAOYSA-N -1 1 320.386 0.401 20 0 DCADMM CNC(=O)[C@@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821631246 606457049 /nfs/dbraw/zinc/45/70/49/606457049.db2.gz CFVDBXRMBAZVGV-QMMMGPOBSA-N -1 1 307.745 0.630 20 0 DCADMM CNC(=O)[C@@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821631246 606457051 /nfs/dbraw/zinc/45/70/51/606457051.db2.gz CFVDBXRMBAZVGV-QMMMGPOBSA-N -1 1 307.745 0.630 20 0 DCADMM Cc1noc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822528222 606540054 /nfs/dbraw/zinc/54/00/54/606540054.db2.gz XMLRMFCIRCBWTK-UHFFFAOYSA-N -1 1 305.323 0.592 20 0 DCADMM Cc1noc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822528222 606540056 /nfs/dbraw/zinc/54/00/56/606540056.db2.gz XMLRMFCIRCBWTK-UHFFFAOYSA-N -1 1 305.323 0.592 20 0 DCADMM CC(C)(C)NC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819923296 606548266 /nfs/dbraw/zinc/54/82/66/606548266.db2.gz YTLPHWOFFAXWOK-UHFFFAOYSA-N -1 1 322.394 0.963 20 0 DCADMM CC(C)(C)NC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819923296 606548268 /nfs/dbraw/zinc/54/82/68/606548268.db2.gz YTLPHWOFFAXWOK-UHFFFAOYSA-N -1 1 322.394 0.963 20 0 DCADMM CC(C)(C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819928776 606562394 /nfs/dbraw/zinc/56/23/94/606562394.db2.gz WUKYSKIZRFDESA-UHFFFAOYSA-N -1 1 309.351 1.000 20 0 DCADMM CC(C)(C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819928776 606562396 /nfs/dbraw/zinc/56/23/96/606562396.db2.gz WUKYSKIZRFDESA-UHFFFAOYSA-N -1 1 309.351 1.000 20 0 DCADMM CCC(=O)N[C@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820837751 606646635 /nfs/dbraw/zinc/64/66/35/606646635.db2.gz MUTQIEWSFRNKEP-MRVPVSSYSA-N -1 1 304.310 0.220 20 0 DCADMM CCC(=O)N[C@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820837751 606646636 /nfs/dbraw/zinc/64/66/36/606646636.db2.gz MUTQIEWSFRNKEP-MRVPVSSYSA-N -1 1 304.310 0.220 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC(O)C1 ZINC000822535186 607062750 /nfs/dbraw/zinc/06/27/50/607062750.db2.gz IZOOXUFQTTXSPI-UHFFFAOYSA-N -1 1 314.305 0.376 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC(O)C1 ZINC000822535186 607062752 /nfs/dbraw/zinc/06/27/52/607062752.db2.gz IZOOXUFQTTXSPI-UHFFFAOYSA-N -1 1 314.305 0.376 20 0 DCADMM CCc1ncncc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821518533 607106296 /nfs/dbraw/zinc/10/62/96/607106296.db2.gz ZASROLOOUMPJKZ-UHFFFAOYSA-N -1 1 302.323 0.928 20 0 DCADMM CCc1ncncc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821518533 607106298 /nfs/dbraw/zinc/10/62/98/607106298.db2.gz ZASROLOOUMPJKZ-UHFFFAOYSA-N -1 1 302.323 0.928 20 0 DCADMM C[C@@H]1CCC[C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820699448 607210217 /nfs/dbraw/zinc/21/02/17/607210217.db2.gz ZVSVHLUTVYMKTC-ZJUUUORDSA-N -1 1 304.358 0.401 20 0 DCADMM C[C@H]1c2ccccc2CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820827594 607215145 /nfs/dbraw/zinc/21/51/45/607215145.db2.gz URONWUBKLHRCFP-JTQLQIEISA-N -1 1 324.348 0.604 20 0 DCADMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820814124 607216696 /nfs/dbraw/zinc/21/66/96/607216696.db2.gz RVOOKCYNOGWWIV-RNCFNFMXSA-N -1 1 324.348 0.508 20 0 DCADMM C[C@H]1CCCC[C@H]1CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820698029 607217696 /nfs/dbraw/zinc/21/76/96/607217696.db2.gz PDEWIWMYDCTDIR-QWRGUYRKSA-N -1 1 318.385 0.791 20 0 DCADMM CC[C@@H](C)[C@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820862267 607218322 /nfs/dbraw/zinc/21/83/22/607218322.db2.gz QAEWANQCGWCYAW-GHMZBOCLSA-N -1 1 318.385 0.885 20 0 DCADMM CCS[C@@H]1CCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821456076 607221440 /nfs/dbraw/zinc/22/14/40/607221440.db2.gz NBODDMMJYKNKER-DTWKUNHWSA-N -1 1 322.398 0.249 20 0 DCADMM CC(C)CC[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820072297 607224666 /nfs/dbraw/zinc/22/46/66/607224666.db2.gz FDTVGQNIBGQCBV-LLVKDONJSA-N -1 1 318.385 0.885 20 0 DCADMM CC1(C)C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000824790781 607824612 /nfs/dbraw/zinc/82/46/12/607824612.db2.gz QOJRGCKMJSBXRI-SNVBAGLBSA-N -1 1 302.338 0.949 20 0 DCADMM CC1(C)C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000824790781 607824613 /nfs/dbraw/zinc/82/46/13/607824613.db2.gz QOJRGCKMJSBXRI-SNVBAGLBSA-N -1 1 302.338 0.949 20 0 DCADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC000824427770 607825343 /nfs/dbraw/zinc/82/53/43/607825343.db2.gz OTAIRBGPBBGJQS-ZCFIWIBFSA-N -1 1 315.380 0.091 20 0 DCADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC000824427770 607825344 /nfs/dbraw/zinc/82/53/44/607825344.db2.gz OTAIRBGPBBGJQS-ZCFIWIBFSA-N -1 1 315.380 0.091 20 0 DCADMM O=C(CCn1cnc(-c2nn[n-]n2)n1)NCc1ccc(F)cc1 ZINC000826409942 607869233 /nfs/dbraw/zinc/86/92/33/607869233.db2.gz VKXGGDVJJZOEJF-UHFFFAOYSA-N -1 1 316.300 0.304 20 0 DCADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(=O)NCc1ccco1 ZINC000824662624 607896939 /nfs/dbraw/zinc/89/69/39/607896939.db2.gz OBTQJPRAUDUQMZ-SECBINFHSA-N -1 1 313.321 0.972 20 0 DCADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(=O)NCc1ccco1 ZINC000824662624 607896940 /nfs/dbraw/zinc/89/69/40/607896940.db2.gz OBTQJPRAUDUQMZ-SECBINFHSA-N -1 1 313.321 0.972 20 0 DCADMM Cc1cnc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nc1 ZINC000826318736 607965037 /nfs/dbraw/zinc/96/50/37/607965037.db2.gz WZTJMFSADPQOFS-UHFFFAOYSA-N -1 1 314.357 0.339 20 0 DCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(=O)N1CCCC[C@H]1C ZINC000824650560 607990384 /nfs/dbraw/zinc/99/03/84/607990384.db2.gz ROFGMGZCKIGYIZ-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(=O)N1CCCC[C@H]1C ZINC000824650560 607990385 /nfs/dbraw/zinc/99/03/85/607990385.db2.gz ROFGMGZCKIGYIZ-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CNC(=O)C1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000826050754 607998393 /nfs/dbraw/zinc/99/83/93/607998393.db2.gz CGXLRZYJGWMOCQ-UHFFFAOYSA-N -1 1 302.294 0.037 20 0 DCADMM O=S(=O)(NC12CCC(CC1)C2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487912 608124774 /nfs/dbraw/zinc/12/47/74/608124774.db2.gz DGMVUVRGAGOZGF-UHFFFAOYSA-N -1 1 320.378 0.873 20 0 DCADMM O=S(=O)(NC12CCC(CC1)C2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487912 608124775 /nfs/dbraw/zinc/12/47/75/608124775.db2.gz DGMVUVRGAGOZGF-UHFFFAOYSA-N -1 1 320.378 0.873 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC000826480946 608147766 /nfs/dbraw/zinc/14/77/66/608147766.db2.gz ZFOPVUZNOPUWFJ-UHFFFAOYSA-N -1 1 323.316 0.831 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccc2c(c1)CCC(=O)N2 ZINC000826480946 608147768 /nfs/dbraw/zinc/14/77/68/608147768.db2.gz ZFOPVUZNOPUWFJ-UHFFFAOYSA-N -1 1 323.316 0.831 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1cc(F)cc(F)c1 ZINC000826424894 608148960 /nfs/dbraw/zinc/14/89/60/608148960.db2.gz HONQEQPWFOKSKN-UHFFFAOYSA-N -1 1 319.275 0.658 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1cc(F)cc(F)c1 ZINC000826424894 608148962 /nfs/dbraw/zinc/14/89/62/608148962.db2.gz HONQEQPWFOKSKN-UHFFFAOYSA-N -1 1 319.275 0.658 20 0 DCADMM CC(C)c1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)no1 ZINC000824343086 608157237 /nfs/dbraw/zinc/15/72/37/608157237.db2.gz VUYVKYDLKBNCPL-UHFFFAOYSA-N -1 1 302.298 0.964 20 0 DCADMM CC(C)c1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)no1 ZINC000824343086 608157239 /nfs/dbraw/zinc/15/72/39/608157239.db2.gz VUYVKYDLKBNCPL-UHFFFAOYSA-N -1 1 302.298 0.964 20 0 DCADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)S(N)(=O)=O ZINC000824434519 608193955 /nfs/dbraw/zinc/19/39/55/608193955.db2.gz KWTCPOURVIMUPH-VKHMYHEASA-N -1 1 323.791 0.066 20 0 DCADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)S(N)(=O)=O ZINC000824434519 608193956 /nfs/dbraw/zinc/19/39/56/608193956.db2.gz KWTCPOURVIMUPH-VKHMYHEASA-N -1 1 323.791 0.066 20 0 DCADMM CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825247158 608250080 /nfs/dbraw/zinc/25/00/80/608250080.db2.gz BLDVQCVUENYKJC-LLVKDONJSA-N -1 1 315.337 0.002 20 0 DCADMM CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825247158 608250081 /nfs/dbraw/zinc/25/00/81/608250081.db2.gz BLDVQCVUENYKJC-LLVKDONJSA-N -1 1 315.337 0.002 20 0 DCADMM CN1C[C@H](COC(=O)c2sccc2-c2nn[n-]n2)CC1=O ZINC000826017292 608275686 /nfs/dbraw/zinc/27/56/86/608275686.db2.gz JZQDOXKARNXSNW-SSDOTTSWSA-N -1 1 307.335 0.563 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1C ZINC000824961358 608341924 /nfs/dbraw/zinc/34/19/24/608341924.db2.gz BXARYVONIPXQLH-UWVGGRQHSA-N -1 1 322.394 0.928 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1C ZINC000824961358 608341926 /nfs/dbraw/zinc/34/19/26/608341926.db2.gz BXARYVONIPXQLH-UWVGGRQHSA-N -1 1 322.394 0.928 20 0 DCADMM Cc1ocnc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826343321 608443408 /nfs/dbraw/zinc/44/34/08/608443408.db2.gz VWRDBUVUMRUGLI-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1ocnc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826343321 608443410 /nfs/dbraw/zinc/44/34/10/608443410.db2.gz VWRDBUVUMRUGLI-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM C[C@H]1CC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC000824894023 608451439 /nfs/dbraw/zinc/45/14/39/608451439.db2.gz WRAWUEATIYBSPT-IUCAKERBSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@H]1CC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC000824894023 608451441 /nfs/dbraw/zinc/45/14/41/608451441.db2.gz WRAWUEATIYBSPT-IUCAKERBSA-N -1 1 302.338 0.948 20 0 DCADMM CC[C@@H](CSC)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825125934 608493869 /nfs/dbraw/zinc/49/38/69/608493869.db2.gz FRZKWDZDYADYTM-ZETCQYMHSA-N -1 1 310.387 0.863 20 0 DCADMM CC[C@@H](CSC)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825125934 608493870 /nfs/dbraw/zinc/49/38/70/608493870.db2.gz FRZKWDZDYADYTM-ZETCQYMHSA-N -1 1 310.387 0.863 20 0 DCADMM OCC[C@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826508773 608584949 /nfs/dbraw/zinc/58/49/49/608584949.db2.gz BDZKIQJWHFHZRI-LURJTMIESA-N -1 1 316.774 0.564 20 0 DCADMM OCC[C@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826508773 608584950 /nfs/dbraw/zinc/58/49/50/608584950.db2.gz BDZKIQJWHFHZRI-LURJTMIESA-N -1 1 316.774 0.564 20 0 DCADMM CC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000823994520 608703139 /nfs/dbraw/zinc/70/31/39/608703139.db2.gz JVAYNQWVJXBDTC-JTQLQIEISA-N -1 1 322.394 0.265 20 0 DCADMM CN(C[C@H]1CCCC[C@H]1O)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825908901 609403211 /nfs/dbraw/zinc/40/32/11/609403211.db2.gz NZIPXJHNJIKTJK-DGCLKSJQSA-N -1 1 316.365 0.885 20 0 DCADMM CN(C[C@H]1CCCC[C@H]1O)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825908901 609403214 /nfs/dbraw/zinc/40/32/14/609403214.db2.gz NZIPXJHNJIKTJK-DGCLKSJQSA-N -1 1 316.365 0.885 20 0 DCADMM CC[C@@](NC(=O)c1ccc(-c2nnn[n-]2)nc1)(C(N)=O)C(C)C ZINC000825132518 609408931 /nfs/dbraw/zinc/40/89/31/609408931.db2.gz ADIJXQBTXDBXLS-AWEZNQCLSA-N -1 1 317.353 0.282 20 0 DCADMM CC[C@@](NC(=O)c1ccc(-c2nn[n-]n2)nc1)(C(N)=O)C(C)C ZINC000825132518 609408932 /nfs/dbraw/zinc/40/89/32/609408932.db2.gz ADIJXQBTXDBXLS-AWEZNQCLSA-N -1 1 317.353 0.282 20 0 DCADMM CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000977720884 660426534 /nfs/dbraw/zinc/42/65/34/660426534.db2.gz CCKAPLURWZUFDH-LLVKDONJSA-N -1 1 304.350 0.752 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)C2CCCC2)nc1=O ZINC001027718566 660650620 /nfs/dbraw/zinc/65/06/20/660650620.db2.gz VBLRLJXTFHSPIF-LBPRGKRZSA-N -1 1 307.398 0.379 20 0 DCADMM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1)c1cnn[nH]1 ZINC000979164665 660674715 /nfs/dbraw/zinc/67/47/15/660674715.db2.gz RREBUZMBCLRZLS-JOEZLDAZSA-N -1 1 303.366 0.475 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)C2=CCCC2)CCO1 ZINC000979268347 660698335 /nfs/dbraw/zinc/69/83/35/660698335.db2.gz JMQRYNSEHNFTAP-JQWIXIFHSA-N -1 1 321.381 0.326 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)CC2(C)CC2)CCO1 ZINC000979387170 660735612 /nfs/dbraw/zinc/73/56/12/660735612.db2.gz YFQJGNATGODWAK-MNOVXSKESA-N -1 1 323.397 0.406 20 0 DCADMM CCC1(C(=O)N2CCO[C@@H]([C@@H](C)NCc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000979403702 660740740 /nfs/dbraw/zinc/74/07/40/660740740.db2.gz WGZJZAGYOXGUJN-GHMZBOCLSA-N -1 1 323.397 0.406 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)C2=CCCC2)nc1=O ZINC001027825093 660794832 /nfs/dbraw/zinc/79/48/32/660794832.db2.gz UGFGMGOMAHIUQX-LBPRGKRZSA-N -1 1 305.382 0.299 20 0 DCADMM O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1)c1ncccc1[O-] ZINC000979665799 660797492 /nfs/dbraw/zinc/79/74/92/660797492.db2.gz SCTCZHDHWSQFDT-GVXVVHGQSA-N -1 1 319.361 0.591 20 0 DCADMM CN1CC[C@@H](N2CCC[C@H]2CNC(=O)c2ncccc2[O-])C1=O ZINC001027842105 660823976 /nfs/dbraw/zinc/82/39/76/660823976.db2.gz RKURDGJZIDKGDG-NWDGAFQWSA-N -1 1 318.377 0.212 20 0 DCADMM CC[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001027841642 660825163 /nfs/dbraw/zinc/82/51/63/660825163.db2.gz JXRWKEZVAWJFPS-WDEREUQCSA-N -1 1 306.366 0.245 20 0 DCADMM Cc1c[nH]cc1C(=O)NC1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC000980219343 660895672 /nfs/dbraw/zinc/89/56/72/660895672.db2.gz UZCYJWSPZCMUQG-UHFFFAOYSA-N -1 1 316.365 0.912 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)[C@H]3CC3(C)C)CC2)nc1=O ZINC000980972781 661056655 /nfs/dbraw/zinc/05/66/55/661056655.db2.gz AMSYUASYVNRWSN-LLVKDONJSA-N -1 1 307.398 0.189 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H](NCc3cnon3)C2)c1[O-] ZINC000981016660 661063910 /nfs/dbraw/zinc/06/39/10/661063910.db2.gz AXILQYCVZYVHML-UWVGGRQHSA-N -1 1 320.353 0.638 20 0 DCADMM CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)CCn1ccnc1 ZINC000921377556 665298386 /nfs/dbraw/zinc/29/83/86/665298386.db2.gz YJLCETYMIONFFL-SNVBAGLBSA-N -1 1 321.424 0.097 20 0 DCADMM Cn1ncc(S(=O)(=O)[N-][C@]23C[C@H]2COC3)c1C(F)(F)F ZINC000885486761 667678579 /nfs/dbraw/zinc/67/85/79/667678579.db2.gz MJHPRPZVFDXJEY-RCOVLWMOSA-N -1 1 311.285 0.506 20 0 DCADMM O=C1C[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)nc2F)CN1 ZINC000921651977 665445702 /nfs/dbraw/zinc/44/57/02/665445702.db2.gz VLJDUXBVNYTJKE-ZETCQYMHSA-N -1 1 321.761 0.679 20 0 DCADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CO1 ZINC000867453165 657476806 /nfs/dbraw/zinc/47/68/06/657476806.db2.gz KPDPPUZCCFCEDL-RNFRBKRXSA-N -1 1 313.301 0.895 20 0 DCADMM O=C(CC[C@@H]1CCCO1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998612807 665490882 /nfs/dbraw/zinc/49/08/82/665490882.db2.gz TVSMTSOIRKAZJI-RYUDHWBXSA-N -1 1 323.397 0.550 20 0 DCADMM COCC(=O)N1CCCC[C@H]1[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001039181296 657569143 /nfs/dbraw/zinc/56/91/43/657569143.db2.gz UIINEKMLTIITSD-RYUDHWBXSA-N -1 1 323.397 0.360 20 0 DCADMM CCc1nc(CN2CC[C@H]2CNC(=O)c2ncccc2[O-])no1 ZINC001038190642 657651295 /nfs/dbraw/zinc/65/12/95/657651295.db2.gz CAKYLXNRPZZOEY-JTQLQIEISA-N -1 1 317.349 0.737 20 0 DCADMM CNC(=O)[C@@H](C)N1CCC[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023306734 657726718 /nfs/dbraw/zinc/72/67/18/657726718.db2.gz MFBZETZVZNOJOR-GHMZBOCLSA-N -1 1 323.397 0.000 20 0 DCADMM Cc1cnc(CN2CC[C@H]2CNC(=O)c2ncccc2[O-])nc1 ZINC001038195648 657830305 /nfs/dbraw/zinc/83/03/05/657830305.db2.gz WXJYARTXJBVJAP-LBPRGKRZSA-N -1 1 313.361 0.890 20 0 DCADMM Cc1cccnc1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998864540 665541487 /nfs/dbraw/zinc/54/14/87/665541487.db2.gz KDBQBDJDZXTCKM-NSHDSACASA-N -1 1 316.365 0.608 20 0 DCADMM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2cnn(C)c2)sn1 ZINC000866872000 658154613 /nfs/dbraw/zinc/15/46/13/658154613.db2.gz FGINAKUOBWSOEQ-SECBINFHSA-N -1 1 302.381 0.197 20 0 DCADMM CCC1(C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)CCC1 ZINC000972126329 658338304 /nfs/dbraw/zinc/33/83/04/658338304.db2.gz UXBFKXBOKKMGTI-LBPRGKRZSA-N -1 1 321.425 0.721 20 0 DCADMM Cc1[nH]nc(C(=O)N2CC[C@]3(C2)CN(CC2CC2)CCO3)c1[O-] ZINC000972347523 658598509 /nfs/dbraw/zinc/59/85/09/658598509.db2.gz VXASALZDTGLKDN-MRXNPFEDSA-N -1 1 320.393 0.751 20 0 DCADMM 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CC(C)C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573966205 1163607725 /nfs/dbraw/zinc/60/77/25/1163607725.db2.gz KKZLEXMNHIEAAD-UHFFFAOYSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573967327 1163612284 /nfs/dbraw/zinc/61/22/84/1163612284.db2.gz UPQFRPLRRPUSSX-JTQLQIEISA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573967327 1163612300 /nfs/dbraw/zinc/61/23/00/1163612300.db2.gz UPQFRPLRRPUSSX-JTQLQIEISA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](NC(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)[O-])C(N)=O ZINC001574107389 1163637987 /nfs/dbraw/zinc/63/79/87/1163637987.db2.gz GIPMTDKRZPVOIT-GVXVVHGQSA-N -1 1 321.377 0.041 20 0 DCADMM Cc1[nH]nc(CN2CCN(c3cnccn3)[C@H](C)C2)c1C(=O)[O-] ZINC001574113262 1163639345 /nfs/dbraw/zinc/63/93/45/1163639345.db2.gz NOIAHKGXFZZMGK-SNVBAGLBSA-N -1 1 316.365 0.917 20 0 DCADMM CC(C)CCCCNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001574195689 1163658782 /nfs/dbraw/zinc/65/87/82/1163658782.db2.gz XPYMKERBQNRENU-SNVBAGLBSA-N -1 1 306.374 0.962 20 0 DCADMM Cn1cc(S(=O)(=O)N2CCCc3[nH]ncc32)cc1C(=O)[O-] ZINC001574220311 1163668537 /nfs/dbraw/zinc/66/85/37/1163668537.db2.gz NEOOJLFBJCYHAV-UHFFFAOYSA-N -1 1 310.335 0.588 20 0 DCADMM O=C(CN1CCC[C@@H](C(=O)[O-])C1)NCc1nnc(C2CC2)[nH]1 ZINC001574299255 1163688120 /nfs/dbraw/zinc/68/81/20/1163688120.db2.gz ATTCXIFLDGAKLI-SNVBAGLBSA-N -1 1 307.354 0.095 20 0 DCADMM O=C([O-])[C@H](NC(=O)c1ccc(Cc2nc[nH]n2)cc1)C1CC1 ZINC001574307897 1163692486 /nfs/dbraw/zinc/69/24/86/1163692486.db2.gz DCFHAUYEERJYIX-CYBMUJFWSA-N -1 1 300.318 0.989 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@@H]1CCN(C(=O)[C@H](O)c2cccnc2)C1 ZINC001574415343 1163717188 /nfs/dbraw/zinc/71/71/88/1163717188.db2.gz PYKZGLQZOYDFFK-ZWNOBZJWSA-N -1 1 316.317 0.552 20 0 DCADMM COC(=O)c1ccoc1S(=O)(=O)NCCCCC(=O)[O-] ZINC001574577449 1163732977 /nfs/dbraw/zinc/73/29/77/1163732977.db2.gz NFQMNJIWNLHKPP-UHFFFAOYSA-N -1 1 305.308 0.599 20 0 DCADMM C[C@H](CCNC(=O)C(C)(C)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574588932 1163734699 /nfs/dbraw/zinc/73/46/99/1163734699.db2.gz VRDCMZFQYJAEOZ-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@H](CCNC(=O)C(C)(C)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574588932 1163734703 /nfs/dbraw/zinc/73/47/03/1163734703.db2.gz VRDCMZFQYJAEOZ-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@@H](CCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CCC1 ZINC001574673378 1163739234 /nfs/dbraw/zinc/73/92/34/1163739234.db2.gz MHOXQBNZXMTPJM-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM C[C@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)CCCF ZINC001574804750 1163755930 /nfs/dbraw/zinc/75/59/30/1163755930.db2.gz WYGVLMORMLOLMW-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1C ZINC001574823294 1163760301 /nfs/dbraw/zinc/76/03/01/1163760301.db2.gz CNSUVPCMUHJZCA-OPRDCNLKSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1C ZINC001574823294 1163760309 /nfs/dbraw/zinc/76/03/09/1163760309.db2.gz CNSUVPCMUHJZCA-OPRDCNLKSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@H](CNC(=O)C1(C)CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574846069 1163769080 /nfs/dbraw/zinc/76/90/80/1163769080.db2.gz HKOGPKTVAQZQKM-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)C1(C)CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574846069 1163769087 /nfs/dbraw/zinc/76/90/87/1163769087.db2.gz HKOGPKTVAQZQKM-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)C1=CCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574853958 1163771700 /nfs/dbraw/zinc/77/17/00/1163771700.db2.gz HAQCPNSGRCMVKW-SECBINFHSA-N -1 1 314.353 0.106 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC12CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574863376 1163776098 /nfs/dbraw/zinc/77/60/98/1163776098.db2.gz YDLNPLVFNLPQIN-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC12CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574863376 1163776101 /nfs/dbraw/zinc/77/61/01/1163776101.db2.gz YDLNPLVFNLPQIN-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574869123 1163780172 /nfs/dbraw/zinc/78/01/72/1163780172.db2.gz SZNSNFMYVQTDPD-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574869123 1163780177 /nfs/dbraw/zinc/78/01/77/1163780177.db2.gz SZNSNFMYVQTDPD-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccn(C)n1 ZINC001575303291 1163967931 /nfs/dbraw/zinc/96/79/31/1163967931.db2.gz NPKQCBGRAPHWFK-ZETCQYMHSA-N -1 1 316.329 0.216 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccn(C)n1 ZINC001575303291 1163967934 /nfs/dbraw/zinc/96/79/34/1163967934.db2.gz NPKQCBGRAPHWFK-ZETCQYMHSA-N -1 1 316.329 0.216 20 0 DCADMM C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C1N=NC(=O)N1C ZINC001575355725 1163986431 /nfs/dbraw/zinc/98/64/31/1163986431.db2.gz IGIFUOLPJANBPD-YFKPBYRVSA-N -1 1 320.338 0.253 20 0 DCADMM C[C@@H](Nc1ncncc1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC001575458857 1164021191 /nfs/dbraw/zinc/02/11/91/1164021191.db2.gz HLUDETJORPECLB-SNVBAGLBSA-N -1 1 324.348 0.774 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576076995 1164232198 /nfs/dbraw/zinc/23/21/98/1164232198.db2.gz PHZZEVWQZJBVRD-VHSXEESVSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576076995 1164232204 /nfs/dbraw/zinc/23/22/04/1164232204.db2.gz PHZZEVWQZJBVRD-VHSXEESVSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576079731 1164234375 /nfs/dbraw/zinc/23/43/75/1164234375.db2.gz YOIMWEIUMSESKZ-UWVGGRQHSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576079731 1164234378 /nfs/dbraw/zinc/23/43/78/1164234378.db2.gz YOIMWEIUMSESKZ-UWVGGRQHSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576083677 1164236114 /nfs/dbraw/zinc/23/61/14/1164236114.db2.gz FPFPPIFDDABYEI-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576083677 1164236123 /nfs/dbraw/zinc/23/61/23/1164236123.db2.gz FPFPPIFDDABYEI-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576083447 1164237150 /nfs/dbraw/zinc/23/71/50/1164237150.db2.gz DEXLCROILVEIEC-KYXWUPHJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576083447 1164237157 /nfs/dbraw/zinc/23/71/57/1164237157.db2.gz DEXLCROILVEIEC-KYXWUPHJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1CN(C(=O)C2CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576231676 1164276269 /nfs/dbraw/zinc/27/62/69/1164276269.db2.gz IABJOFDCAJFXOG-LDYMZIIASA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1CN(C(=O)C2CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576231676 1164276277 /nfs/dbraw/zinc/27/62/77/1164276277.db2.gz IABJOFDCAJFXOG-LDYMZIIASA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCN1c1cnccn1 ZINC001576365589 1164316173 /nfs/dbraw/zinc/31/61/73/1164316173.db2.gz PKJOOMMOQUZCBQ-LLVKDONJSA-N -1 1 323.364 0.767 20 0 DCADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCN1c1cnccn1 ZINC001576365589 1164316181 /nfs/dbraw/zinc/31/61/81/1164316181.db2.gz PKJOOMMOQUZCBQ-LLVKDONJSA-N -1 1 323.364 0.767 20 0 DCADMM CCC(=O)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001576406663 1164329508 /nfs/dbraw/zinc/32/95/08/1164329508.db2.gz CVOJOVWOEYMVJX-UHFFFAOYSA-N -1 1 318.385 0.740 20 0 DCADMM CCC(=O)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001576406663 1164329516 /nfs/dbraw/zinc/32/95/16/1164329516.db2.gz CVOJOVWOEYMVJX-UHFFFAOYSA-N -1 1 318.385 0.740 20 0 DCADMM CCC(=O)N1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576415537 1164333425 /nfs/dbraw/zinc/33/34/25/1164333425.db2.gz VZCOSUSUILMOCE-SNVBAGLBSA-N -1 1 316.369 0.636 20 0 DCADMM CCC(=O)N1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001576415537 1164333432 /nfs/dbraw/zinc/33/34/32/1164333432.db2.gz VZCOSUSUILMOCE-SNVBAGLBSA-N -1 1 316.369 0.636 20 0 DCADMM CCC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576415717 1164336860 /nfs/dbraw/zinc/33/68/60/1164336860.db2.gz AZEIFNOYSLYCCW-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576415717 1164336867 /nfs/dbraw/zinc/33/68/67/1164336867.db2.gz AZEIFNOYSLYCCW-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001576425158 1164339376 /nfs/dbraw/zinc/33/93/76/1164339376.db2.gz FNOAMONWPSLSGJ-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001576425158 1164339384 /nfs/dbraw/zinc/33/93/84/1164339384.db2.gz FNOAMONWPSLSGJ-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576425675 1164339649 /nfs/dbraw/zinc/33/96/49/1164339649.db2.gz PSOPRQCFVYKEQN-UWVGGRQHSA-N -1 1 314.353 0.165 20 0 DCADMM CCC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576425675 1164339655 /nfs/dbraw/zinc/33/96/55/1164339655.db2.gz PSOPRQCFVYKEQN-UWVGGRQHSA-N -1 1 314.353 0.165 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001576425161 1164340542 /nfs/dbraw/zinc/34/05/42/1164340542.db2.gz FNOAMONWPSLSGJ-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001576425161 1164340547 /nfs/dbraw/zinc/34/05/47/1164340547.db2.gz FNOAMONWPSLSGJ-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001576444420 1164346945 /nfs/dbraw/zinc/34/69/45/1164346945.db2.gz HBTADOZUDVANNT-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001576487918 1164362403 /nfs/dbraw/zinc/36/24/03/1164362403.db2.gz QLYTUZFSBYRBLR-UHFFFAOYSA-N -1 1 315.790 0.939 20 0 DCADMM CC[C@@H](C)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576561704 1164391403 /nfs/dbraw/zinc/39/14/03/1164391403.db2.gz GZESCZPULQGUBV-ZJUUUORDSA-N -1 1 318.385 0.384 20 0 DCADMM CC[C@H](C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576564560 1164393849 /nfs/dbraw/zinc/39/38/49/1164393849.db2.gz SJHNJDROPOWTQK-VHSXEESVSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576564560 1164393856 /nfs/dbraw/zinc/39/38/56/1164393856.db2.gz SJHNJDROPOWTQK-VHSXEESVSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576603795 1164410926 /nfs/dbraw/zinc/41/09/26/1164410926.db2.gz AFEWFQGXJYDQOG-GUBZILKMSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576603795 1164410928 /nfs/dbraw/zinc/41/09/28/1164410928.db2.gz AFEWFQGXJYDQOG-GUBZILKMSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@H](C)[C@H](O)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001576609732 1164411871 /nfs/dbraw/zinc/41/18/71/1164411871.db2.gz DQJBTHXNJBNLLS-OIBJUYFYSA-N -1 1 320.353 0.413 20 0 DCADMM CC[C@H](C)CC(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001576618678 1164415739 /nfs/dbraw/zinc/41/57/39/1164415739.db2.gz TTXZEBLJXOJHQE-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)CC(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001576618678 1164415743 /nfs/dbraw/zinc/41/57/43/1164415743.db2.gz TTXZEBLJXOJHQE-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576846241 1164492665 /nfs/dbraw/zinc/49/26/65/1164492665.db2.gz MWGASOHLJBSPIO-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576846241 1164492670 /nfs/dbraw/zinc/49/26/70/1164492670.db2.gz MWGASOHLJBSPIO-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576955460 1164554170 /nfs/dbraw/zinc/55/41/70/1164554170.db2.gz JQGAGVKJQRALKJ-DTWKUNHWSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576955460 1164554176 /nfs/dbraw/zinc/55/41/76/1164554176.db2.gz JQGAGVKJQRALKJ-DTWKUNHWSA-N -1 1 322.348 0.346 20 0 DCADMM CCC1(C(=O)N(C)CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001577061502 1164594211 /nfs/dbraw/zinc/59/42/11/1164594211.db2.gz BEKRMTUNFBXNGX-UHFFFAOYSA-N -1 1 316.369 0.139 20 0 DCADMM CCC1(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001577087941 1164600625 /nfs/dbraw/zinc/60/06/25/1164600625.db2.gz VFYMCTVYBSSNJC-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001577087941 1164600630 /nfs/dbraw/zinc/60/06/30/1164600630.db2.gz VFYMCTVYBSSNJC-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001577188374 1164627597 /nfs/dbraw/zinc/62/75/97/1164627597.db2.gz TUZMWWAJWKUCEG-ONGXEEELSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001577188374 1164627601 /nfs/dbraw/zinc/62/76/01/1164627601.db2.gz TUZMWWAJWKUCEG-ONGXEEELSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001577210603 1164635973 /nfs/dbraw/zinc/63/59/73/1164635973.db2.gz IWLZKILRWTZUFQ-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001577210603 1164635977 /nfs/dbraw/zinc/63/59/77/1164635977.db2.gz IWLZKILRWTZUFQ-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577216609 1164638322 /nfs/dbraw/zinc/63/83/22/1164638322.db2.gz WJWJJFXCDNKYMN-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577216609 1164638326 /nfs/dbraw/zinc/63/83/26/1164638326.db2.gz WJWJJFXCDNKYMN-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577221602 1164641628 /nfs/dbraw/zinc/64/16/28/1164641628.db2.gz ZTPHZCRWZGELIV-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC[C@H](C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001577278595 1164658480 /nfs/dbraw/zinc/65/84/80/1164658480.db2.gz JCQHWELWDYWSHD-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CCC[C@H](C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001577278595 1164658483 /nfs/dbraw/zinc/65/84/83/1164658483.db2.gz JCQHWELWDYWSHD-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CCCCC(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001577421439 1164690055 /nfs/dbraw/zinc/69/00/55/1164690055.db2.gz NGCFYGZENBUUII-UHFFFAOYSA-N -1 1 318.385 0.708 20 0 DCADMM CCCCC(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001577421439 1164690058 /nfs/dbraw/zinc/69/00/58/1164690058.db2.gz NGCFYGZENBUUII-UHFFFAOYSA-N -1 1 318.385 0.708 20 0 DCADMM CCCN(C(C)=O)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577547039 1164722412 /nfs/dbraw/zinc/72/24/12/1164722412.db2.gz FWRRPPVXRAJFKQ-NSHDSACASA-N -1 1 316.369 0.494 20 0 DCADMM CCCN(C(C)=O)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577547039 1164722418 /nfs/dbraw/zinc/72/24/18/1164722418.db2.gz FWRRPPVXRAJFKQ-NSHDSACASA-N -1 1 316.369 0.494 20 0 DCADMM CCCn1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)nn1 ZINC001577773230 1164788802 /nfs/dbraw/zinc/78/88/02/1164788802.db2.gz GYLWAMXUGZTNNL-UHFFFAOYSA-N -1 1 318.366 0.860 20 0 DCADMM CCCn1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)nn1 ZINC001577773230 1164788812 /nfs/dbraw/zinc/78/88/12/1164788812.db2.gz GYLWAMXUGZTNNL-UHFFFAOYSA-N -1 1 318.366 0.860 20 0 DCADMM CCN(CCNC(=O)C(C)(C)C)c1nccnc1-c1nnn[n-]1 ZINC001577919888 1164842509 /nfs/dbraw/zinc/84/25/09/1164842509.db2.gz RNFZCOAEYJCRHC-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCNC(=O)C(C)(C)C)c1nccnc1-c1nn[n-]n1 ZINC001577919888 1164842512 /nfs/dbraw/zinc/84/25/12/1164842512.db2.gz RNFZCOAEYJCRHC-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)[C@H]1C[C@@H]1C ZINC001578124265 1164929070 /nfs/dbraw/zinc/92/90/70/1164929070.db2.gz VRAYSHXYNAIAKY-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)[C@H]1C[C@@H]1C ZINC001578124265 1164929075 /nfs/dbraw/zinc/92/90/75/1164929075.db2.gz VRAYSHXYNAIAKY-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM CCOC(=O)c1nc[nH]c1CNc1cncc(-c2nnn[n-]2)n1 ZINC001578250816 1164963085 /nfs/dbraw/zinc/96/30/85/1164963085.db2.gz KGERHUYXUJHRDK-UHFFFAOYSA-N -1 1 315.297 0.169 20 0 DCADMM CCOC(=O)c1nc[nH]c1CNc1cncc(-c2nn[n-]n2)n1 ZINC001578250816 1164963087 /nfs/dbraw/zinc/96/30/87/1164963087.db2.gz KGERHUYXUJHRDK-UHFFFAOYSA-N -1 1 315.297 0.169 20 0 DCADMM CCOCCCC(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001578375734 1164991104 /nfs/dbraw/zinc/99/11/04/1164991104.db2.gz PIXXTMNPXZFDKK-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM CCOCCCC(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001578375734 1164991111 /nfs/dbraw/zinc/99/11/11/1164991111.db2.gz PIXXTMNPXZFDKK-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001578428958 1165012132 /nfs/dbraw/zinc/01/21/32/1165012132.db2.gz VKYVBPRFPDOVGM-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001578428958 1165012135 /nfs/dbraw/zinc/01/21/35/1165012135.db2.gz VKYVBPRFPDOVGM-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001578435706 1165015607 /nfs/dbraw/zinc/01/56/07/1165015607.db2.gz NKZGOOCRJFBMLN-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001578435706 1165015612 /nfs/dbraw/zinc/01/56/12/1165015612.db2.gz NKZGOOCRJFBMLN-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM O=C(C=Cc1ccc[nH]1)N[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001578551729 1165056247 /nfs/dbraw/zinc/05/62/47/1165056247.db2.gz LKGJJMUOVRFJPN-PETBKVMHSA-N -1 1 300.322 0.223 20 0 DCADMM CCc1nc(N[C@@H](C)CNC(=O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001578626803 1165072502 /nfs/dbraw/zinc/07/25/02/1165072502.db2.gz RIHKPJZUKVNGPK-VIFPVBQESA-N -1 1 318.385 0.792 20 0 DCADMM CCc1nc(N[C@@H](C)CNC(=O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001578626803 1165072508 /nfs/dbraw/zinc/07/25/08/1165072508.db2.gz RIHKPJZUKVNGPK-VIFPVBQESA-N -1 1 318.385 0.792 20 0 DCADMM CCn1cc(Cl)c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC001578758972 1165097382 /nfs/dbraw/zinc/09/73/82/1165097382.db2.gz AWPBFRFYFUDNNX-UHFFFAOYSA-N -1 1 321.732 0.722 20 0 DCADMM CCn1cc(Cl)c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC001578758972 1165097386 /nfs/dbraw/zinc/09/73/86/1165097386.db2.gz AWPBFRFYFUDNNX-UHFFFAOYSA-N -1 1 321.732 0.722 20 0 DCADMM CN(C(=O)c1c(Cl)cnn1C)c1ccc(-c2nn[n-]n2)nc1 ZINC001578894000 1165153536 /nfs/dbraw/zinc/15/35/36/1165153536.db2.gz GGTAPUVQUZTMAW-UHFFFAOYSA-N -1 1 318.728 0.925 20 0 DCADMM CN(CCNC(=O)CC1CCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001579175754 1165229634 /nfs/dbraw/zinc/22/96/34/1165229634.db2.gz FHVPXWOGNZVRFZ-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)CC1CCC1)c1cncc(-c2nnn[n-]2)n1 ZINC001579176750 1165230082 /nfs/dbraw/zinc/23/00/82/1165230082.db2.gz OOHHDSARXJALSG-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)CC1CCC1)c1cncc(-c2nn[n-]n2)n1 ZINC001579176750 1165230092 /nfs/dbraw/zinc/23/00/92/1165230092.db2.gz OOHHDSARXJALSG-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(Cc1cccnc1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001579263311 1165253117 /nfs/dbraw/zinc/25/31/17/1165253117.db2.gz TUTBXELVRHJYBD-UHFFFAOYSA-N -1 1 309.333 0.858 20 0 DCADMM CN(Cc1cccnc1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001579263311 1165253126 /nfs/dbraw/zinc/25/31/26/1165253126.db2.gz TUTBXELVRHJYBD-UHFFFAOYSA-N -1 1 309.333 0.858 20 0 DCADMM CN(Cc1ccn(C)n1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579261152 1165254798 /nfs/dbraw/zinc/25/47/98/1165254798.db2.gz PYBMFDSUEKNQPI-UHFFFAOYSA-N -1 1 323.338 0.014 20 0 DCADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001579295193 1165263761 /nfs/dbraw/zinc/26/37/61/1165263761.db2.gz RSHPSAGSSPJRCD-SNVBAGLBSA-N -1 1 314.353 0.104 20 0 DCADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001579295193 1165263768 /nfs/dbraw/zinc/26/37/68/1165263768.db2.gz RSHPSAGSSPJRCD-SNVBAGLBSA-N -1 1 314.353 0.104 20 0 DCADMM CN1c2ccccc2C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1=O ZINC001579298639 1165264482 /nfs/dbraw/zinc/26/44/82/1165264482.db2.gz NKIVYBCJBLWVEN-LLVKDONJSA-N -1 1 322.332 0.656 20 0 DCADMM CN1c2ccccc2C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1=O ZINC001579298639 1165264488 /nfs/dbraw/zinc/26/44/88/1165264488.db2.gz NKIVYBCJBLWVEN-LLVKDONJSA-N -1 1 322.332 0.656 20 0 DCADMM CN1C(=O)COc2ccc(Nc3ccnc(-c4nnn[n-]4)c3)cc21 ZINC001579308454 1165267332 /nfs/dbraw/zinc/26/73/32/1165267332.db2.gz SLIUNSHMBLKZIF-UHFFFAOYSA-N -1 1 323.316 0.782 20 0 DCADMM CN1C(=O)COc2ccc(Nc3ccnc(-c4nn[n-]n4)c3)cc21 ZINC001579308454 1165267340 /nfs/dbraw/zinc/26/73/40/1165267340.db2.gz SLIUNSHMBLKZIF-UHFFFAOYSA-N -1 1 323.316 0.782 20 0 DCADMM CNC(=O)[C@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001579387368 1165295894 /nfs/dbraw/zinc/29/58/94/1165295894.db2.gz ZVCGYXYCDNLTJV-ZETCQYMHSA-N -1 1 306.351 0.136 20 0 DCADMM COC(=O)C[C@H](C)Nc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001579450834 1165314063 /nfs/dbraw/zinc/31/40/63/1165314063.db2.gz CSUSSPGRBAJRKO-ZETCQYMHSA-N -1 1 320.309 0.412 20 0 DCADMM COC(=O)C[C@H](C)Nc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001579450834 1165314069 /nfs/dbraw/zinc/31/40/69/1165314069.db2.gz CSUSSPGRBAJRKO-ZETCQYMHSA-N -1 1 320.309 0.412 20 0 DCADMM COC(=O)c1cc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)on1 ZINC001579479367 1165325782 /nfs/dbraw/zinc/32/57/82/1165325782.db2.gz KGEMCQDAVSUUMD-UHFFFAOYSA-N -1 1 316.277 0.160 20 0 DCADMM COC(=O)c1ccc2c(c1)CN(c1ncncc1-c1nn[n-]n1)C2 ZINC001579486402 1165328536 /nfs/dbraw/zinc/32/85/36/1165328536.db2.gz YMLCYTBLVVXKAI-UHFFFAOYSA-N -1 1 323.316 0.964 20 0 DCADMM COC(=O)c1occc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579493396 1165333439 /nfs/dbraw/zinc/33/34/39/1165333439.db2.gz OASUFCJZHGXWCZ-UHFFFAOYSA-N -1 1 317.261 0.769 20 0 DCADMM COC(=O)c1occc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579493396 1165333444 /nfs/dbraw/zinc/33/34/44/1165333444.db2.gz OASUFCJZHGXWCZ-UHFFFAOYSA-N -1 1 317.261 0.769 20 0 DCADMM CO[C@H](Cc1ccccc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001579595092 1165355555 /nfs/dbraw/zinc/35/55/55/1165355555.db2.gz WIGSGCADAGKPHM-LLVKDONJSA-N -1 1 313.321 0.786 20 0 DCADMM CO[C@H](Cc1ccccc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001579595092 1165355562 /nfs/dbraw/zinc/35/55/62/1165355562.db2.gz WIGSGCADAGKPHM-LLVKDONJSA-N -1 1 313.321 0.786 20 0 DCADMM COC[C@@]1(CO)CCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001579747085 1165385654 /nfs/dbraw/zinc/38/56/54/1165385654.db2.gz NXBKICRHQQTXDT-AWEZNQCLSA-N -1 1 321.337 0.239 20 0 DCADMM COC[C@@]1(CO)CCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001579747085 1165385662 /nfs/dbraw/zinc/38/56/62/1165385662.db2.gz NXBKICRHQQTXDT-AWEZNQCLSA-N -1 1 321.337 0.239 20 0 DCADMM COc1ccc(N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001580034943 1165479582 /nfs/dbraw/zinc/47/95/82/1165479582.db2.gz LPBXGVFSFMAQFH-UHFFFAOYSA-N -1 1 314.309 0.130 20 0 DCADMM CS[C@@H](C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001580174610 1165528340 /nfs/dbraw/zinc/52/83/40/1165528340.db2.gz GVAYAKXUWITLBN-QMMMGPOBSA-N -1 1 322.398 0.279 20 0 DCADMM CS[C@@H](C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001580174610 1165528349 /nfs/dbraw/zinc/52/83/49/1165528349.db2.gz GVAYAKXUWITLBN-QMMMGPOBSA-N -1 1 322.398 0.279 20 0 DCADMM CS[C@H](C)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001580188130 1165531641 /nfs/dbraw/zinc/53/16/41/1165531641.db2.gz QTDBYRUKMPITOB-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001580188130 1165531649 /nfs/dbraw/zinc/53/16/49/1165531649.db2.gz QTDBYRUKMPITOB-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001580192137 1165534067 /nfs/dbraw/zinc/53/40/67/1165534067.db2.gz VTIHREFPNYWLAJ-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001580192137 1165534074 /nfs/dbraw/zinc/53/40/74/1165534074.db2.gz VTIHREFPNYWLAJ-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001580248499 1165548155 /nfs/dbraw/zinc/54/81/55/1165548155.db2.gz FACJAONASYRXFM-GUBZILKMSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)[C@@H]1CO ZINC001580311589 1165566962 /nfs/dbraw/zinc/56/69/62/1165566962.db2.gz BJMWUVCJVNQAAD-ZWNOBZJWSA-N -1 1 316.365 0.424 20 0 DCADMM C[C@@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)[C@@H]1CO ZINC001580311589 1165566967 /nfs/dbraw/zinc/56/69/67/1165566967.db2.gz BJMWUVCJVNQAAD-ZWNOBZJWSA-N -1 1 316.365 0.424 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001580369909 1165587658 /nfs/dbraw/zinc/58/76/58/1165587658.db2.gz OAYFTSLTUXNYSQ-OPRDCNLKSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001580369909 1165587667 /nfs/dbraw/zinc/58/76/67/1165587667.db2.gz OAYFTSLTUXNYSQ-OPRDCNLKSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1CCC1 ZINC001580422342 1165599076 /nfs/dbraw/zinc/59/90/76/1165599076.db2.gz JXHBLUKEEUPDAE-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1CCC1 ZINC001580422342 1165599085 /nfs/dbraw/zinc/59/90/85/1165599085.db2.gz JXHBLUKEEUPDAE-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC=C(F)C1 ZINC001580598463 1165650438 /nfs/dbraw/zinc/65/04/38/1165650438.db2.gz XPXYEENTWQDXCG-UHFFFAOYSA-N -1 1 304.285 0.975 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1=NC[C@@H](C)S1 ZINC001580603696 1165652507 /nfs/dbraw/zinc/65/25/07/1165652507.db2.gz WGQZSFOJGCHVKV-ZCFIWIBFSA-N -1 1 319.350 0.497 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CCO[C@H](C)C1 ZINC001580602698 1165652925 /nfs/dbraw/zinc/65/29/25/1165652925.db2.gz RIYFAVHLKGTGCB-BDAKNGLRSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1nn(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)c2ncccc12 ZINC001581603958 1165849987 /nfs/dbraw/zinc/84/99/87/1165849987.db2.gz PQLTUTCYCKYGDR-UHFFFAOYSA-N -1 1 324.308 0.282 20 0 DCADMM Cc1nonc1CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001581655315 1165856332 /nfs/dbraw/zinc/85/63/32/1165856332.db2.gz SZAMKRCSXUGBQC-UHFFFAOYSA-N -1 1 315.297 0.340 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H](O)[C@@H]2C)c1-c1nnn[n-]1 ZINC001581738866 1165860756 /nfs/dbraw/zinc/86/07/56/1165860756.db2.gz FAFUUINHRQONHC-XVKPBYJWSA-N -1 1 306.326 0.077 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H](O)[C@@H]2C)c1-c1nn[n-]n1 ZINC001581738866 1165860760 /nfs/dbraw/zinc/86/07/60/1165860760.db2.gz FAFUUINHRQONHC-XVKPBYJWSA-N -1 1 306.326 0.077 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)C[C@@H](CO)C2)c1-c1nnn[n-]1 ZINC001581739705 1165863270 /nfs/dbraw/zinc/86/32/70/1165863270.db2.gz XJGRSACBKGWVJT-PSASIEDQSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)C[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC001581739705 1165863277 /nfs/dbraw/zinc/86/32/77/1165863277.db2.gz XJGRSACBKGWVJT-PSASIEDQSA-N -1 1 320.353 0.183 20 0 DCADMM Cn1c(=O)[nH]c(Nc2ccc(F)cc2)c(-c2nn[n-]n2)c1=O ZINC001581747774 1165863900 /nfs/dbraw/zinc/86/39/00/1165863900.db2.gz UYSHCJLXHRZPQN-UHFFFAOYSA-N -1 1 303.257 0.549 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2cncc(F)c2)n1 ZINC001581753421 1165867884 /nfs/dbraw/zinc/86/78/84/1165867884.db2.gz CPRGTCHHVPFIDH-NSCUHMNNSA-N -1 1 314.284 0.786 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2cncc(F)c2)n1 ZINC001581753421 1165867888 /nfs/dbraw/zinc/86/78/88/1165867888.db2.gz CPRGTCHHVPFIDH-NSCUHMNNSA-N -1 1 314.284 0.786 20 0 DCADMM Cn1cc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)nn1 ZINC001581770685 1165873511 /nfs/dbraw/zinc/87/35/11/1165873511.db2.gz QWCKULGWHUVDEB-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM Cn1cc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)nn1 ZINC001581770685 1165873513 /nfs/dbraw/zinc/87/35/13/1165873513.db2.gz QWCKULGWHUVDEB-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM Cn1nc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC001581821887 1165883035 /nfs/dbraw/zinc/88/30/35/1165883035.db2.gz UENLSRKWZHHLDY-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM Cn1nc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC001581821887 1165883040 /nfs/dbraw/zinc/88/30/40/1165883040.db2.gz UENLSRKWZHHLDY-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM Cn1nc(C(C)(C)C)cc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001581823308 1165884383 /nfs/dbraw/zinc/88/43/83/1165884383.db2.gz LJTIUYAGYJSFOW-UHFFFAOYSA-N -1 1 315.341 0.365 20 0 DCADMM Cn1ncc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1Cl ZINC001581833868 1165885617 /nfs/dbraw/zinc/88/56/17/1165885617.db2.gz IXTYWVPGWCZKAL-UHFFFAOYSA-N -1 1 318.728 0.830 20 0 DCADMM Cn1ncc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1Cl ZINC001581833868 1165885622 /nfs/dbraw/zinc/88/56/22/1165885622.db2.gz IXTYWVPGWCZKAL-UHFFFAOYSA-N -1 1 318.728 0.830 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001581900543 1165905488 /nfs/dbraw/zinc/90/54/88/1165905488.db2.gz JLHPJTKUKQGEFV-KYZUINATSA-N -1 1 318.337 0.481 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001581900543 1165905492 /nfs/dbraw/zinc/90/54/92/1165905492.db2.gz JLHPJTKUKQGEFV-KYZUINATSA-N -1 1 318.337 0.481 20 0 DCADMM NC(=O)c1csc(CNCc2cccc(-c3nnn[n-]3)n2)n1 ZINC001581906087 1165908268 /nfs/dbraw/zinc/90/82/68/1165908268.db2.gz ILOKJZWHSAYIIU-UHFFFAOYSA-N -1 1 316.350 0.107 20 0 DCADMM NC(=O)c1csc(CNCc2cccc(-c3nn[n-]n3)n2)n1 ZINC001581906087 1165908275 /nfs/dbraw/zinc/90/82/75/1165908275.db2.gz ILOKJZWHSAYIIU-UHFFFAOYSA-N -1 1 316.350 0.107 20 0 DCADMM NC(=O)c1csc(CNCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001581906496 1165908419 /nfs/dbraw/zinc/90/84/19/1165908419.db2.gz RAYQMPHOLMPSBJ-UHFFFAOYSA-N -1 1 322.379 0.168 20 0 DCADMM NC(=O)c1csc(CNCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001581906496 1165908423 /nfs/dbraw/zinc/90/84/23/1165908423.db2.gz RAYQMPHOLMPSBJ-UHFFFAOYSA-N -1 1 322.379 0.168 20 0 DCADMM NC(=O)c1cccc(NC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001581905344 1165910635 /nfs/dbraw/zinc/91/06/35/1165910635.db2.gz DBNRZXTYNBCXLV-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM O=C(CCCc1nn[n-]n1)Nc1cc(F)cc(-c2nn[nH]n2)c1 ZINC001582049499 1165943944 /nfs/dbraw/zinc/94/39/44/1165943944.db2.gz WUQCHIZGGCWFNL-UHFFFAOYSA-N -1 1 317.288 0.480 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cscc1Cl ZINC001582199624 1165981381 /nfs/dbraw/zinc/98/13/81/1165981381.db2.gz RYOMBLXOPIGANP-UHFFFAOYSA-N -1 1 324.757 0.490 20 0 DCADMM O=C(N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C1CC1 ZINC001582222895 1165986802 /nfs/dbraw/zinc/98/68/02/1165986802.db2.gz BRDIXEAHKLJHNX-LLVKDONJSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C1CC1 ZINC001582222895 1165986808 /nfs/dbraw/zinc/98/68/08/1165986808.db2.gz BRDIXEAHKLJHNX-LLVKDONJSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@@H]1CCC2(C1)OCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC001582276673 1165995464 /nfs/dbraw/zinc/99/54/64/1165995464.db2.gz JDEDLNVBHYKTRN-SNVBAGLBSA-N -1 1 316.321 0.287 20 0 DCADMM O=C(N[C@@H]1CCC2(C1)OCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC001582276673 1165995469 /nfs/dbraw/zinc/99/54/69/1165995469.db2.gz JDEDLNVBHYKTRN-SNVBAGLBSA-N -1 1 316.321 0.287 20 0 DCADMM O=C(N[C@@H]1CC[C@@H](O)[C@@H](O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582328409 1166002562 /nfs/dbraw/zinc/00/25/62/1166002562.db2.gz QAOWVOZYEKLTIW-ONOSFVFSSA-N -1 1 321.312 0.010 20 0 DCADMM O=C(N[C@@H]1CC[C@@H](O)[C@@H](O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582328409 1166002565 /nfs/dbraw/zinc/00/25/65/1166002565.db2.gz QAOWVOZYEKLTIW-ONOSFVFSSA-N -1 1 321.312 0.010 20 0 DCADMM O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1csc(-c2nn[n-]n2)c1 ZINC001582490540 1166025964 /nfs/dbraw/zinc/02/59/64/1166025964.db2.gz PYLQNIMJPODWTJ-QNSHHTMESA-N -1 1 321.362 0.462 20 0 DCADMM O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccsc1-c1nnn[n-]1 ZINC001582490381 1166026966 /nfs/dbraw/zinc/02/69/66/1166026966.db2.gz LZDHAXSMNOYONI-MRTMQBJTSA-N -1 1 321.362 0.462 20 0 DCADMM O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccsc1-c1nn[n-]n1 ZINC001582490381 1166026969 /nfs/dbraw/zinc/02/69/69/1166026969.db2.gz LZDHAXSMNOYONI-MRTMQBJTSA-N -1 1 321.362 0.462 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1(O)CCCCC1 ZINC001582555135 1166041731 /nfs/dbraw/zinc/04/17/31/1166041731.db2.gz SUWWKDJTKKJJLN-UHFFFAOYSA-N -1 1 302.338 0.573 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1(O)CCCCC1 ZINC001582555135 1166041738 /nfs/dbraw/zinc/04/17/38/1166041738.db2.gz SUWWKDJTKKJJLN-UHFFFAOYSA-N -1 1 302.338 0.573 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1csc(CO)n1 ZINC001582635082 1166056442 /nfs/dbraw/zinc/05/64/42/1166056442.db2.gz ZDYGVKWIYQHILU-UHFFFAOYSA-N -1 1 318.318 0.773 20 0 DCADMM O=C(Nc1ccc2c(c1)CCNC2=O)c1coc(-c2nnn[n-]2)c1 ZINC001582642212 1166057923 /nfs/dbraw/zinc/05/79/23/1166057923.db2.gz AKLKKQJAOITGOK-UHFFFAOYSA-N -1 1 324.300 0.998 20 0 DCADMM O=C(Nc1ccc2c(c1)CCNC2=O)c1coc(-c2nn[n-]n2)c1 ZINC001582642212 1166057932 /nfs/dbraw/zinc/05/79/32/1166057932.db2.gz AKLKKQJAOITGOK-UHFFFAOYSA-N -1 1 324.300 0.998 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc2n(n1)CCCO2 ZINC001582644920 1166058777 /nfs/dbraw/zinc/05/87/77/1166058777.db2.gz ITLNZZRLTRFADO-UHFFFAOYSA-N -1 1 312.293 0.493 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc2n(n1)CCCO2 ZINC001582644920 1166058780 /nfs/dbraw/zinc/05/87/80/1166058780.db2.gz ITLNZZRLTRFADO-UHFFFAOYSA-N -1 1 312.293 0.493 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCc2nccnc2C1 ZINC001582745286 1166074304 /nfs/dbraw/zinc/07/43/04/1166074304.db2.gz XLINSBKFYIGVTC-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM CC/C(C)=C/C(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001582997057 1166164763 /nfs/dbraw/zinc/16/47/63/1166164763.db2.gz XMJUAUCGCBJGQA-HUYFXPKMSA-N -1 1 307.350 0.350 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccnc(F)c2)n[n-]1 ZINC001584176732 1166312803 /nfs/dbraw/zinc/31/28/03/1166312803.db2.gz UQCQDHGIKDZUJG-QMMMGPOBSA-N -1 1 321.312 0.935 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccnc(F)c2)[n-]1 ZINC001584176732 1166312807 /nfs/dbraw/zinc/31/28/07/1166312807.db2.gz UQCQDHGIKDZUJG-QMMMGPOBSA-N -1 1 321.312 0.935 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccnc(F)c2)n1 ZINC001584176732 1166312811 /nfs/dbraw/zinc/31/28/11/1166312811.db2.gz UQCQDHGIKDZUJG-QMMMGPOBSA-N -1 1 321.312 0.935 20 0 DCADMM CC(=O)[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001588785831 1166588408 /nfs/dbraw/zinc/58/84/08/1166588408.db2.gz MZCUDFVXRUPWBD-ZDUSSCGKSA-N -1 1 303.322 0.961 20 0 DCADMM CC(=O)[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001588785831 1166588420 /nfs/dbraw/zinc/58/84/20/1166588420.db2.gz MZCUDFVXRUPWBD-ZDUSSCGKSA-N -1 1 303.322 0.961 20 0 DCADMM CC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588796743 1166589761 /nfs/dbraw/zinc/58/97/61/1166589761.db2.gz DMXCDBPGJMETDH-LLVKDONJSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588796743 1166589769 /nfs/dbraw/zinc/58/97/69/1166589769.db2.gz DMXCDBPGJMETDH-LLVKDONJSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001588796953 1166590631 /nfs/dbraw/zinc/59/06/31/1166590631.db2.gz NJJPJPDSSGSZKK-UHFFFAOYSA-N -1 1 319.321 0.649 20 0 DCADMM CC(=O)N1C[C@H](C)[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001588807032 1166593169 /nfs/dbraw/zinc/59/31/69/1166593169.db2.gz VXJLCNLUHIAQOX-IMTBSYHQSA-N -1 1 307.383 0.910 20 0 DCADMM CC(=O)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588815848 1166598552 /nfs/dbraw/zinc/59/85/52/1166598552.db2.gz FSLOLULBUIATKO-NSHDSACASA-N -1 1 316.369 0.717 20 0 DCADMM CC(=O)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588815848 1166598558 /nfs/dbraw/zinc/59/85/58/1166598558.db2.gz FSLOLULBUIATKO-NSHDSACASA-N -1 1 316.369 0.717 20 0 DCADMM CC(=O)N[C@H](CCC(C)C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001588837703 1166602068 /nfs/dbraw/zinc/60/20/68/1166602068.db2.gz GCVFIZZJXFXAJX-SNVBAGLBSA-N -1 1 320.357 0.227 20 0 DCADMM CC(=O)NCCCCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001588861565 1166611040 /nfs/dbraw/zinc/61/10/40/1166611040.db2.gz JRCUNHJSTQWQCW-UHFFFAOYSA-N -1 1 323.382 0.958 20 0 DCADMM CC(=O)NCCCCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001588861565 1166611044 /nfs/dbraw/zinc/61/10/44/1166611044.db2.gz JRCUNHJSTQWQCW-UHFFFAOYSA-N -1 1 323.382 0.958 20 0 DCADMM C[C@H](C(=O)N(C)[C@@H](C)C(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588936834 1166619155 /nfs/dbraw/zinc/61/91/55/1166619155.db2.gz MGXQWNYIDCOVAD-BDAKNGLRSA-N -1 1 306.374 0.912 20 0 DCADMM C[C@H](C(=O)N(C)Cc1ccoc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588942751 1166621163 /nfs/dbraw/zinc/62/11/63/1166621163.db2.gz GZASRIXNUNADNQ-MRVPVSSYSA-N -1 1 302.298 0.271 20 0 DCADMM C[C@@H](C(=O)N1CCCC(F)(F)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588954043 1166621190 /nfs/dbraw/zinc/62/11/90/1166621190.db2.gz FXSXQHKMSDOTBS-ZETCQYMHSA-N -1 1 312.284 0.277 20 0 DCADMM C[C@@H](C(=O)NC[C@H]1CCCC1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588983514 1166623977 /nfs/dbraw/zinc/62/39/77/1166623977.db2.gz KZOKGJIUCZTYTA-VHSXEESVSA-N -1 1 318.385 0.962 20 0 DCADMM C[C@@H](C(=O)NCCCC1CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588990090 1166626544 /nfs/dbraw/zinc/62/65/44/1166626544.db2.gz HUOWCYJXMQWAPT-VIFPVBQESA-N -1 1 304.358 0.716 20 0 DCADMM CC(C)(C)[C@H](O)C[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589095494 1166635572 /nfs/dbraw/zinc/63/55/72/1166635572.db2.gz KJTHHFXIMPADIU-CMPLNLGQSA-N -1 1 306.370 0.254 20 0 DCADMM CC(C)(C)[C@H](O)C[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589095494 1166635577 /nfs/dbraw/zinc/63/55/77/1166635577.db2.gz KJTHHFXIMPADIU-CMPLNLGQSA-N -1 1 306.370 0.254 20 0 DCADMM CC(C)(C)OC(=O)[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001589145264 1166638299 /nfs/dbraw/zinc/63/82/99/1166638299.db2.gz MBQRISCYZVABSG-ZDUSSCGKSA-N -1 1 321.341 0.161 20 0 DCADMM CC(C)(C)OC(=O)[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001589145264 1166638304 /nfs/dbraw/zinc/63/83/04/1166638304.db2.gz MBQRISCYZVABSG-ZDUSSCGKSA-N -1 1 321.341 0.161 20 0 DCADMM CC(C)(C)OC(=O)N1CC[C@@H](Cn2cc(-c3nn[n-]n3)nn2)C1 ZINC001589163964 1166639981 /nfs/dbraw/zinc/63/99/81/1166639981.db2.gz OSYIZRNDJSMCQW-SECBINFHSA-N -1 1 320.357 0.715 20 0 DCADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)C1(O)CCOCC1 ZINC001589293414 1166644517 /nfs/dbraw/zinc/64/45/17/1166644517.db2.gz WXIFXTLEZGTHSE-UHFFFAOYSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)C1(O)CCOCC1 ZINC001589293414 1166644521 /nfs/dbraw/zinc/64/45/21/1166644521.db2.gz WXIFXTLEZGTHSE-UHFFFAOYSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)(CNc1cc(-c2nnn[n-]2)ncn1)[C@@]1(O)CCCOC1 ZINC001589287734 1166645012 /nfs/dbraw/zinc/64/50/12/1166645012.db2.gz DSIFGJHFJJBRSS-CQSZACIVSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)(CNc1cc(-c2nn[n-]n2)ncn1)[C@@]1(O)CCCOC1 ZINC001589287734 1166645018 /nfs/dbraw/zinc/64/50/18/1166645018.db2.gz DSIFGJHFJJBRSS-CQSZACIVSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)=CC(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001589361830 1166652740 /nfs/dbraw/zinc/65/27/40/1166652740.db2.gz QAIOPMWIIZLCHX-SNVBAGLBSA-N -1 1 316.369 0.930 20 0 DCADMM CC(C)=CC(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001589361830 1166652745 /nfs/dbraw/zinc/65/27/45/1166652745.db2.gz QAIOPMWIIZLCHX-SNVBAGLBSA-N -1 1 316.369 0.930 20 0 DCADMM CC(C)C(NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001589472252 1166660471 /nfs/dbraw/zinc/66/04/71/1166660471.db2.gz LTSDURONGQVSOX-UHFFFAOYSA-N -1 1 321.389 0.438 20 0 DCADMM CC(C)CN(CC(C)C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001589619721 1166668582 /nfs/dbraw/zinc/66/85/82/1166668582.db2.gz NALJFKJROSJLHU-UHFFFAOYSA-N -1 1 306.374 0.599 20 0 DCADMM CC(C)COC(=O)N(C)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001589638441 1166671011 /nfs/dbraw/zinc/67/10/11/1166671011.db2.gz ZTBRUDXYYGGIPG-UHFFFAOYSA-N -1 1 306.326 0.710 20 0 DCADMM CC(C)C[C@@H](CO)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589653610 1166672160 /nfs/dbraw/zinc/67/21/60/1166672160.db2.gz BILWRDBOZVTHKK-JTQLQIEISA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)C[C@@H](CO)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589653610 1166672166 /nfs/dbraw/zinc/67/21/66/1166672166.db2.gz BILWRDBOZVTHKK-JTQLQIEISA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)N(CC(F)(F)F)C(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001589679329 1166674632 /nfs/dbraw/zinc/67/46/32/1166674632.db2.gz NFQKHXSHXJBQGT-UHFFFAOYSA-N -1 1 318.263 0.258 20 0 DCADMM CC(C)N1CC[C@@H](NCc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001589714498 1166675924 /nfs/dbraw/zinc/67/59/24/1166675924.db2.gz JIXQYINFXDMUMB-MRVPVSSYSA-N -1 1 307.383 0.422 20 0 DCADMM CC(C)N1CC[C@@H](NCc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001589714498 1166675928 /nfs/dbraw/zinc/67/59/28/1166675928.db2.gz JIXQYINFXDMUMB-MRVPVSSYSA-N -1 1 307.383 0.422 20 0 DCADMM CC(C)NC(=O)[C@@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589719652 1166676171 /nfs/dbraw/zinc/67/61/71/1166676171.db2.gz COOJAESJYHIBLU-SSDOTTSWSA-N -1 1 308.367 0.571 20 0 DCADMM CC(C)NC(=O)[C@@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589719652 1166676175 /nfs/dbraw/zinc/67/61/75/1166676175.db2.gz COOJAESJYHIBLU-SSDOTTSWSA-N -1 1 308.367 0.571 20 0 DCADMM CC(C)OC(=O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001589733542 1166679321 /nfs/dbraw/zinc/67/93/21/1166679321.db2.gz YGDMZMOKSFBUIJ-UHFFFAOYSA-N -1 1 303.322 0.469 20 0 DCADMM CC(C)[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(N)=O ZINC001589762920 1166683224 /nfs/dbraw/zinc/68/32/24/1166683224.db2.gz IFVWNAXRMQTDCE-SCSAIBSYSA-N -1 1 301.763 0.898 20 0 DCADMM CC(C)[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(N)=O ZINC001589762920 1166683229 /nfs/dbraw/zinc/68/32/29/1166683229.db2.gz IFVWNAXRMQTDCE-SCSAIBSYSA-N -1 1 301.763 0.898 20 0 DCADMM CC(C)n1ncc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1Cl ZINC001589784861 1166685580 /nfs/dbraw/zinc/68/55/80/1166685580.db2.gz OEWRXEXDOCXWDC-UHFFFAOYSA-N -1 1 321.732 0.765 20 0 DCADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)c1nncn1C ZINC001589864046 1166701823 /nfs/dbraw/zinc/70/18/23/1166701823.db2.gz KBLKBAXJGVQICN-ZETCQYMHSA-N -1 1 302.298 0.122 20 0 DCADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)c1nncn1C ZINC001589864046 1166701830 /nfs/dbraw/zinc/70/18/30/1166701830.db2.gz KBLKBAXJGVQICN-ZETCQYMHSA-N -1 1 302.298 0.122 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N1CCCCC1=O ZINC001589879018 1166704692 /nfs/dbraw/zinc/70/46/92/1166704692.db2.gz MIKRDGGYLZNUGI-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N1CCCCC1=O ZINC001589879018 1166704699 /nfs/dbraw/zinc/70/46/99/1166704699.db2.gz MIKRDGGYLZNUGI-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM C[C@H](CO)[C@@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589886470 1166708137 /nfs/dbraw/zinc/70/81/37/1166708137.db2.gz HDHRGFUVXIMVDN-MFKMUULPSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H](CO)[C@@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589886470 1166708146 /nfs/dbraw/zinc/70/81/46/1166708146.db2.gz HDHRGFUVXIMVDN-MFKMUULPSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CCOCC1 ZINC001589925837 1166720105 /nfs/dbraw/zinc/72/01/05/1166720105.db2.gz HCCLXFXGVGCNOW-SNVBAGLBSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CCOCC1 ZINC001589925837 1166720110 /nfs/dbraw/zinc/72/01/10/1166720110.db2.gz HCCLXFXGVGCNOW-SNVBAGLBSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@@H](NC(=O)C1CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589918755 1166720360 /nfs/dbraw/zinc/72/03/60/1166720360.db2.gz UOCAECKJUQNJDI-JGVFFNPUSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@@H](NC(=O)C1CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589918755 1166720367 /nfs/dbraw/zinc/72/03/67/1166720367.db2.gz UOCAECKJUQNJDI-JGVFFNPUSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC001589947400 1166727755 /nfs/dbraw/zinc/72/77/55/1166727755.db2.gz QRZOHBGOMFEDJO-GXSJLCMTSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC001589947400 1166727759 /nfs/dbraw/zinc/72/77/59/1166727759.db2.gz QRZOHBGOMFEDJO-GXSJLCMTSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](O)C[C@H](C)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589994971 1166741184 /nfs/dbraw/zinc/74/11/84/1166741184.db2.gz AUVNVCLKJSMQPN-DTWKUNHWSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@@H](O)C[C@H](C)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589994971 1166741186 /nfs/dbraw/zinc/74/11/86/1166741186.db2.gz AUVNVCLKJSMQPN-DTWKUNHWSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@H](OC(=O)c1ccsc1-c1nnn[n-]1)c1nnnn1C ZINC001590015139 1166752964 /nfs/dbraw/zinc/75/29/64/1166752964.db2.gz WTZUHKMBLGKWDM-YFKPBYRVSA-N -1 1 306.311 0.370 20 0 DCADMM C[C@H](OC(=O)c1ccsc1-c1nn[n-]n1)c1nnnn1C ZINC001590015139 1166752973 /nfs/dbraw/zinc/75/29/73/1166752973.db2.gz WTZUHKMBLGKWDM-YFKPBYRVSA-N -1 1 306.311 0.370 20 0 DCADMM C[C@@]1(C(=O)NCCNc2ccc(-c3nnn[n-]3)nn2)C=CCC1 ZINC001590067822 1166763276 /nfs/dbraw/zinc/76/32/76/1166763276.db2.gz LZLVFXSKHSZXSN-CQSZACIVSA-N -1 1 314.353 0.541 20 0 DCADMM C[C@@]1(C(=O)NCCNc2ccc(-c3nn[n-]n3)nn2)C=CCC1 ZINC001590067822 1166763281 /nfs/dbraw/zinc/76/32/81/1166763281.db2.gz LZLVFXSKHSZXSN-CQSZACIVSA-N -1 1 314.353 0.541 20 0 DCADMM CC1(C)C[C@@H](O)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590085958 1166770478 /nfs/dbraw/zinc/77/04/78/1166770478.db2.gz XBOSLZUYLLCTDL-SECBINFHSA-N -1 1 317.353 0.886 20 0 DCADMM CC1(C)C[C@@H](O)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590085958 1166770482 /nfs/dbraw/zinc/77/04/82/1166770482.db2.gz XBOSLZUYLLCTDL-SECBINFHSA-N -1 1 317.353 0.886 20 0 DCADMM CC1(C)C[C@H](O)CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590086227 1166771713 /nfs/dbraw/zinc/77/17/13/1166771713.db2.gz XTLKLMPHBGBRLE-NSHDSACASA-N -1 1 316.365 0.424 20 0 DCADMM CC1(C)C[C@H](O)CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590086227 1166771721 /nfs/dbraw/zinc/77/17/21/1166771721.db2.gz XTLKLMPHBGBRLE-NSHDSACASA-N -1 1 316.365 0.424 20 0 DCADMM CC1(C)CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@@H]1O ZINC001590106597 1166777128 /nfs/dbraw/zinc/77/71/28/1166777128.db2.gz UJJUVPYPZSWIIV-JTQLQIEISA-N -1 1 301.354 0.741 20 0 DCADMM CC1(C)CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@@H]1O ZINC001590106597 1166777132 /nfs/dbraw/zinc/77/71/32/1166777132.db2.gz UJJUVPYPZSWIIV-JTQLQIEISA-N -1 1 301.354 0.741 20 0 DCADMM CC1(C)CNC(=O)[C@@H]1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590108963 1166777594 /nfs/dbraw/zinc/77/75/94/1166777594.db2.gz CLZUOGSZIMIINE-JTQLQIEISA-N -1 1 314.353 0.471 20 0 DCADMM CC1(C)CNC(=O)[C@@H]1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590108963 1166777602 /nfs/dbraw/zinc/77/76/02/1166777602.db2.gz CLZUOGSZIMIINE-JTQLQIEISA-N -1 1 314.353 0.471 20 0 DCADMM CC1(C)COC(=O)[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590112622 1166780203 /nfs/dbraw/zinc/78/02/03/1166780203.db2.gz LGVVWQGRRLUDFE-QMMMGPOBSA-N -1 1 307.335 0.610 20 0 DCADMM CC1(C)COC(=O)[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590112622 1166780208 /nfs/dbraw/zinc/78/02/08/1166780208.db2.gz LGVVWQGRRLUDFE-QMMMGPOBSA-N -1 1 307.335 0.610 20 0 DCADMM CC1(C)OCC[C@@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590116824 1166780296 /nfs/dbraw/zinc/78/02/96/1166780296.db2.gz DRUUSMWCXQCTKN-JTQLQIEISA-N -1 1 303.326 0.951 20 0 DCADMM CC1(C)OCC[C@@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590116824 1166780302 /nfs/dbraw/zinc/78/03/02/1166780302.db2.gz DRUUSMWCXQCTKN-JTQLQIEISA-N -1 1 303.326 0.951 20 0 DCADMM CC1(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590151867 1166790505 /nfs/dbraw/zinc/79/05/05/1166790505.db2.gz LAMLVPIYHDDRCZ-UHFFFAOYSA-N -1 1 300.369 0.295 20 0 DCADMM CC1(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590151867 1166790508 /nfs/dbraw/zinc/79/05/08/1166790508.db2.gz LAMLVPIYHDDRCZ-UHFFFAOYSA-N -1 1 300.369 0.295 20 0 DCADMM CC1=NO[C@@H](COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590161616 1166793605 /nfs/dbraw/zinc/79/36/05/1166793605.db2.gz HROIHNSPDFTKNL-SNVBAGLBSA-N -1 1 302.294 0.512 20 0 DCADMM CC1=NO[C@@H](COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590161616 1166793612 /nfs/dbraw/zinc/79/36/12/1166793612.db2.gz HROIHNSPDFTKNL-SNVBAGLBSA-N -1 1 302.294 0.512 20 0 DCADMM CC1=CCCN(c2nnc(-c3cnc(-c4nnn[n-]4)cn3)n2C)C1 ZINC001590160883 1166793723 /nfs/dbraw/zinc/79/37/23/1166793723.db2.gz JFYMFIZMMKDLLA-UHFFFAOYSA-N -1 1 324.352 0.609 20 0 DCADMM CC1=CCCN(c2nnc(-c3cnc(-c4nn[n-]n4)cn3)n2C)C1 ZINC001590160883 1166793729 /nfs/dbraw/zinc/79/37/29/1166793729.db2.gz JFYMFIZMMKDLLA-UHFFFAOYSA-N -1 1 324.352 0.609 20 0 DCADMM C[C@H]1C[C@H](C)N(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2C)C1 ZINC001590191140 1166802381 /nfs/dbraw/zinc/80/23/81/1166802381.db2.gz PSSAOFVWIKEPHV-YUMQZZPRSA-N -1 1 314.357 0.620 20 0 DCADMM C[C@@H]1C[C@@H](CO)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590191092 1166803192 /nfs/dbraw/zinc/80/31/92/1166803192.db2.gz DNXFRWPFHXUCGC-NXEZZACHSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@@H]1C[C@@H](CO)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590191092 1166803201 /nfs/dbraw/zinc/80/32/01/1166803201.db2.gz DNXFRWPFHXUCGC-NXEZZACHSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@H]1C[C@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CO1 ZINC001590199480 1166809256 /nfs/dbraw/zinc/80/92/56/1166809256.db2.gz KZRJVYHADCAFTG-BQBZGAKWSA-N -1 1 309.355 0.300 20 0 DCADMM C[C@H]1C[C@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CO1 ZINC001590199480 1166809264 /nfs/dbraw/zinc/80/92/64/1166809264.db2.gz KZRJVYHADCAFTG-BQBZGAKWSA-N -1 1 309.355 0.300 20 0 DCADMM C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590242787 1166826730 /nfs/dbraw/zinc/82/67/30/1166826730.db2.gz HWAUNDOKSBAOHY-OPRDCNLKSA-N -1 1 304.358 0.809 20 0 DCADMM C[C@H]1CCCC[C@@H]1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590255924 1166826833 /nfs/dbraw/zinc/82/68/33/1166826833.db2.gz XCIYRGCKZAUYDA-UWVGGRQHSA-N -1 1 319.373 0.336 20 0 DCADMM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590250695 1166827035 /nfs/dbraw/zinc/82/70/35/1166827035.db2.gz WJGFTQQHXGBJES-YMTOWFKASA-N -1 1 302.338 0.543 20 0 DCADMM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590250695 1166827038 /nfs/dbraw/zinc/82/70/38/1166827038.db2.gz WJGFTQQHXGBJES-YMTOWFKASA-N -1 1 302.338 0.543 20 0 DCADMM C[C@@H]1CCCN(C(=O)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001590258235 1166830477 /nfs/dbraw/zinc/83/04/77/1166830477.db2.gz LKMKJZIOFNMKQM-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM C[C@@H]1CCCN(C(=O)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001590258235 1166830482 /nfs/dbraw/zinc/83/04/82/1166830482.db2.gz LKMKJZIOFNMKQM-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H](C2CC2)O1 ZINC001590299598 1166848920 /nfs/dbraw/zinc/84/89/20/1166848920.db2.gz IKIGZKVWKRYQOZ-TVQRCGJNSA-N -1 1 314.349 0.901 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H](C2CC2)O1 ZINC001590299598 1166848924 /nfs/dbraw/zinc/84/89/24/1166848924.db2.gz IKIGZKVWKRYQOZ-TVQRCGJNSA-N -1 1 314.349 0.901 20 0 DCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H](C(F)(F)F)O1 ZINC001590316519 1166860632 /nfs/dbraw/zinc/86/06/32/1166860632.db2.gz SNQKAKAKXLFVEX-RQJHMYQMSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@]2(CCCOC2)O1 ZINC001590317516 1166861856 /nfs/dbraw/zinc/86/18/56/1166861856.db2.gz BVWJMFALJOXSGJ-YGRLFVJLSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@]2(CCCOC2)O1 ZINC001590317516 1166861864 /nfs/dbraw/zinc/86/18/64/1166861864.db2.gz BVWJMFALJOXSGJ-YGRLFVJLSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1COCC[C@H]1CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590322747 1166863754 /nfs/dbraw/zinc/86/37/54/1166863754.db2.gz GTFHVDHEXPBZQE-JQWIXIFHSA-N -1 1 316.365 0.593 20 0 DCADMM C[C@H]1COCC[C@H]1CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590322747 1166863762 /nfs/dbraw/zinc/86/37/62/1166863762.db2.gz GTFHVDHEXPBZQE-JQWIXIFHSA-N -1 1 316.365 0.593 20 0 DCADMM C[C@@H]1COCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590325890 1166867502 /nfs/dbraw/zinc/86/75/02/1166867502.db2.gz VLBKPGKCSYQGRY-VXNVDRBHSA-N -1 1 306.330 0.147 20 0 DCADMM C[C@@H]1COCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590325890 1166867509 /nfs/dbraw/zinc/86/75/09/1166867509.db2.gz VLBKPGKCSYQGRY-VXNVDRBHSA-N -1 1 306.330 0.147 20 0 DCADMM C[C@H]1OCC[C@@]1(O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590333097 1166869958 /nfs/dbraw/zinc/86/99/58/1166869958.db2.gz BZMXLSCAJMQSEB-JMCQJSRRSA-N -1 1 310.745 0.867 20 0 DCADMM C[C@H]1OCC[C@@]1(O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590333097 1166869960 /nfs/dbraw/zinc/86/99/60/1166869960.db2.gz BZMXLSCAJMQSEB-JMCQJSRRSA-N -1 1 310.745 0.867 20 0 DCADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590333384 1166870434 /nfs/dbraw/zinc/87/04/34/1166870434.db2.gz DAYPRCPRDDUREQ-JIOCBJNQSA-N -1 1 305.342 0.598 20 0 DCADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590333384 1166870441 /nfs/dbraw/zinc/87/04/41/1166870441.db2.gz DAYPRCPRDDUREQ-JIOCBJNQSA-N -1 1 305.342 0.598 20 0 DCADMM C[C@H]1OCC[C@]12CN(C(=O)c1ccc(-c3nnn[n-]3)o1)CCO2 ZINC001590333710 1166871148 /nfs/dbraw/zinc/87/11/48/1166871148.db2.gz JKGLGACGAKIYQE-OTYXRUKQSA-N -1 1 319.321 0.480 20 0 DCADMM C[C@H]1OCC[C@]12CN(C(=O)c1ccc(-c3nn[n-]n3)o1)CCO2 ZINC001590333710 1166871156 /nfs/dbraw/zinc/87/11/56/1166871156.db2.gz JKGLGACGAKIYQE-OTYXRUKQSA-N -1 1 319.321 0.480 20 0 DCADMM C[C@@H]1[C@H](C)OCCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590340017 1166876594 /nfs/dbraw/zinc/87/65/94/1166876594.db2.gz ZCWVPPVRVYSKKH-BDAKNGLRSA-N -1 1 303.326 0.903 20 0 DCADMM C[C@@H]1[C@H](C)OCCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590340017 1166876596 /nfs/dbraw/zinc/87/65/96/1166876596.db2.gz ZCWVPPVRVYSKKH-BDAKNGLRSA-N -1 1 303.326 0.903 20 0 DCADMM CCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001590361100 1166884355 /nfs/dbraw/zinc/88/43/55/1166884355.db2.gz SVAVRKQPMHONNT-SECBINFHSA-N -1 1 318.337 0.509 20 0 DCADMM CCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001590361100 1166884359 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CCC(=O)NCCOCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590366344 1166890618 /nfs/dbraw/zinc/89/06/18/1166890618.db2.gz MEAPEHLYBRTFLO-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM CC[C@](C)(CC(=O)OC)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590380013 1166893991 /nfs/dbraw/zinc/89/39/91/1166893991.db2.gz LSXFMRGRQZYELE-CQSZACIVSA-N -1 1 318.337 0.723 20 0 DCADMM CC[C@](C)(CC(=O)OC)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590380013 1166893997 /nfs/dbraw/zinc/89/39/97/1166893997.db2.gz LSXFMRGRQZYELE-CQSZACIVSA-N -1 1 318.337 0.723 20 0 DCADMM CC[C@](C)(NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(=O)OC ZINC001590381008 1166895529 /nfs/dbraw/zinc/89/55/29/1166895529.db2.gz AZTKIFXGCGMRCQ-ZDUSSCGKSA-N -1 1 304.310 0.333 20 0 DCADMM CC[C@](C)(NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(=O)OC ZINC001590381008 1166895532 /nfs/dbraw/zinc/89/55/32/1166895532.db2.gz AZTKIFXGCGMRCQ-ZDUSSCGKSA-N -1 1 304.310 0.333 20 0 DCADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H](C)O ZINC001590470020 1166917832 /nfs/dbraw/zinc/91/78/32/1166917832.db2.gz 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/nfs/dbraw/zinc/17/84/64/1167178464.db2.gz USEJRVFTSYBFDG-VIFPVBQESA-N -1 1 315.337 0.533 20 0 DCADMM COC(=O)[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001591253994 1167178467 /nfs/dbraw/zinc/17/84/67/1167178467.db2.gz USEJRVFTSYBFDG-VIFPVBQESA-N -1 1 315.337 0.533 20 0 DCADMM COC(=O)C1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001591251970 1167178936 /nfs/dbraw/zinc/17/89/36/1167178936.db2.gz HKCHOIYXXLKOHH-UHFFFAOYSA-N -1 1 302.338 0.960 20 0 DCADMM COC(=O)C1CCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001591251970 1167178941 /nfs/dbraw/zinc/17/89/41/1167178941.db2.gz HKCHOIYXXLKOHH-UHFFFAOYSA-N -1 1 302.338 0.960 20 0 DCADMM COC(=O)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001591251924 1167179215 /nfs/dbraw/zinc/17/92/15/1167179215.db2.gz GTDKVNANKFHCBQ-BDAKNGLRSA-N -1 1 303.326 0.353 20 0 DCADMM COC(=O)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001591251924 1167179218 /nfs/dbraw/zinc/17/92/18/1167179218.db2.gz GTDKVNANKFHCBQ-BDAKNGLRSA-N -1 1 303.326 0.353 20 0 DCADMM COC(=O)C[C@H](C)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001591258475 1167182039 /nfs/dbraw/zinc/18/20/39/1167182039.db2.gz KWCCYUPHACXZAC-VIFPVBQESA-N -1 1 319.321 0.894 20 0 DCADMM COC(=O)C[C@H](C)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001591258475 1167182042 /nfs/dbraw/zinc/18/20/42/1167182042.db2.gz KWCCYUPHACXZAC-VIFPVBQESA-N -1 1 319.321 0.894 20 0 DCADMM COC(=O)CC1CC(NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591261780 1167183313 /nfs/dbraw/zinc/18/33/13/1167183313.db2.gz ZHQMFZVOMVMJFE-UHFFFAOYSA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)CC1CC(NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001591261780 1167183319 /nfs/dbraw/zinc/18/33/19/1167183319.db2.gz ZHQMFZVOMVMJFE-UHFFFAOYSA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)C[C@@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)CCO1 ZINC001591264626 1167187246 /nfs/dbraw/zinc/18/72/46/1167187246.db2.gz RRNVGSPSTRYYAR-SNVBAGLBSA-N -1 1 318.337 0.338 20 0 DCADMM COC(=O)C[C@@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)CCO1 ZINC001591264626 1167187249 /nfs/dbraw/zinc/18/72/49/1167187249.db2.gz RRNVGSPSTRYYAR-SNVBAGLBSA-N -1 1 318.337 0.338 20 0 DCADMM COC(=O)N[C@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001591275450 1167193582 /nfs/dbraw/zinc/19/35/82/1167193582.db2.gz GGCAKOCEQIPOPE-QMMMGPOBSA-N -1 1 322.350 0.499 20 0 DCADMM COC(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001591272991 1167194699 /nfs/dbraw/zinc/19/46/99/1167194699.db2.gz RUNWVKHHFYNYBE-UHFFFAOYSA-N -1 1 318.341 0.547 20 0 DCADMM COC(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001591272991 1167194703 /nfs/dbraw/zinc/19/47/03/1167194703.db2.gz RUNWVKHHFYNYBE-UHFFFAOYSA-N -1 1 318.341 0.547 20 0 DCADMM COC(=O)[C@@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H]1C ZINC001591282027 1167198446 /nfs/dbraw/zinc/19/84/46/1167198446.db2.gz CZJJYSDWUUIXFF-RTHLEPHNSA-N -1 1 319.321 0.731 20 0 DCADMM COC(=O)[C@@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@@H]1C ZINC001591282027 1167198447 /nfs/dbraw/zinc/19/84/47/1167198447.db2.gz CZJJYSDWUUIXFF-RTHLEPHNSA-N -1 1 319.321 0.731 20 0 DCADMM COC(=O)[C@H]1C[C@@H](C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)C1 ZINC001591283246 1167200076 /nfs/dbraw/zinc/20/00/76/1167200076.db2.gz JDSAHBAQJYIDDU-AOOOYVTPSA-N -1 1 317.305 0.476 20 0 DCADMM COC(=O)c1ccc(N2CCC[C@H](OC)C2)c(-c2nnn[n-]2)n1 ZINC001591294152 1167202859 /nfs/dbraw/zinc/20/28/59/1167202859.db2.gz BKOXSENNQFUDND-VIFPVBQESA-N -1 1 318.337 0.664 20 0 DCADMM COC(=O)c1ccc(N2CCC[C@H](OC)C2)c(-c2nn[n-]n2)n1 ZINC001591294152 1167202866 /nfs/dbraw/zinc/20/28/66/1167202866.db2.gz BKOXSENNQFUDND-VIFPVBQESA-N -1 1 318.337 0.664 20 0 DCADMM COC(=O)c1ccc(N(C)CC2(C)COC2)c(-c2nnn[n-]2)n1 ZINC001591294006 1167203764 /nfs/dbraw/zinc/20/37/64/1167203764.db2.gz WKSAXFMXIZRGIB-UHFFFAOYSA-N -1 1 318.337 0.521 20 0 DCADMM COC(=O)c1ccc(N(C)CC2(C)COC2)c(-c2nn[n-]n2)n1 ZINC001591294006 1167203771 /nfs/dbraw/zinc/20/37/71/1167203771.db2.gz WKSAXFMXIZRGIB-UHFFFAOYSA-N -1 1 318.337 0.521 20 0 DCADMM COC(=O)c1ccc(N(C)CCCCCO)c(-c2nnn[n-]2)n1 ZINC001591293479 1167204126 /nfs/dbraw/zinc/20/41/26/1167204126.db2.gz GHFVWAXTMYEDNA-UHFFFAOYSA-N -1 1 320.353 0.647 20 0 DCADMM COC(=O)c1ccc(N(C)CCCCCO)c(-c2nn[n-]n2)n1 ZINC001591293479 1167204133 /nfs/dbraw/zinc/20/41/33/1167204133.db2.gz GHFVWAXTMYEDNA-UHFFFAOYSA-N -1 1 320.353 0.647 20 0 DCADMM COC(=O)c1coc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001591306932 1167207483 /nfs/dbraw/zinc/20/74/83/1167207483.db2.gz ZPHPZBYHUDMCSX-UHFFFAOYSA-N -1 1 317.265 0.232 20 0 DCADMM COC(=O)c1coc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001591306932 1167207489 /nfs/dbraw/zinc/20/74/89/1167207489.db2.gz ZPHPZBYHUDMCSX-UHFFFAOYSA-N -1 1 317.265 0.232 20 0 DCADMM CO[C@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001591330915 1167217265 /nfs/dbraw/zinc/21/72/65/1167217265.db2.gz WLLPKIRHFKJVHH-BXKDBHETSA-N -1 1 318.337 0.043 20 0 DCADMM CO[C@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC001591330915 1167217270 /nfs/dbraw/zinc/21/72/70/1167217270.db2.gz WLLPKIRHFKJVHH-BXKDBHETSA-N -1 1 318.337 0.043 20 0 DCADMM COC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCOCC1 ZINC001591342388 1167221939 /nfs/dbraw/zinc/22/19/39/1167221939.db2.gz GGCMSNQOARMBNC-UHFFFAOYSA-N -1 1 305.342 0.573 20 0 DCADMM COC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCOCC1 ZINC001591342388 1167221945 /nfs/dbraw/zinc/22/19/45/1167221945.db2.gz GGCMSNQOARMBNC-UHFFFAOYSA-N -1 1 305.342 0.573 20 0 DCADMM COC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)C1CCOCC1 ZINC001591382229 1167253133 /nfs/dbraw/zinc/25/31/33/1167253133.db2.gz FYIZZFBBIYXPEE-NSHDSACASA-N -1 1 305.342 0.510 20 0 DCADMM COC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)C1CCOCC1 ZINC001591382229 1167253139 /nfs/dbraw/zinc/25/31/39/1167253139.db2.gz FYIZZFBBIYXPEE-NSHDSACASA-N -1 1 305.342 0.510 20 0 DCADMM COC[C@]1(C)CN(c2cc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001591385230 1167255504 /nfs/dbraw/zinc/25/55/04/1167255504.db2.gz KNRLEODOIRHKSS-AWEZNQCLSA-N -1 1 304.354 0.812 20 0 DCADMM COC[C@]1(C)CN(c2cc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001591385230 1167255510 /nfs/dbraw/zinc/25/55/10/1167255510.db2.gz KNRLEODOIRHKSS-AWEZNQCLSA-N -1 1 304.354 0.812 20 0 DCADMM COCCC(=O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001591395520 1167264369 /nfs/dbraw/zinc/26/43/69/1167264369.db2.gz ZWTKOVZDFCKYGG-UHFFFAOYSA-N -1 1 317.349 0.513 20 0 DCADMM COC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591394647 1167264470 /nfs/dbraw/zinc/26/44/70/1167264470.db2.gz YNEDQCIRDNMBPN-QMMMGPOBSA-N -1 1 313.339 0.117 20 0 DCADMM COC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H](C)O1 ZINC001591396456 1167266196 /nfs/dbraw/zinc/26/61/96/1167266196.db2.gz XPVWFOJHYAITJD-BDAKNGLRSA-N -1 1 307.310 0.336 20 0 DCADMM COC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@@H](C)O1 ZINC001591396456 1167266203 /nfs/dbraw/zinc/26/62/03/1167266203.db2.gz XPVWFOJHYAITJD-BDAKNGLRSA-N -1 1 307.310 0.336 20 0 DCADMM COC[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001591396495 1167267378 /nfs/dbraw/zinc/26/73/78/1167267378.db2.gz YJVKXEYAUOTRRI-GXSJLCMTSA-N -1 1 318.337 0.138 20 0 DCADMM COC[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001591396495 1167267385 /nfs/dbraw/zinc/26/73/85/1167267385.db2.gz YJVKXEYAUOTRRI-GXSJLCMTSA-N -1 1 318.337 0.138 20 0 DCADMM COCCCCCOC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591411447 1167272289 /nfs/dbraw/zinc/27/22/89/1167272289.db2.gz QMIRHHJNXGHRKR-SECBINFHSA-N -1 1 309.330 0.379 20 0 DCADMM COCCCOC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001591416353 1167276147 /nfs/dbraw/zinc/27/61/47/1167276147.db2.gz KTEJHPMYSRHBKO-UHFFFAOYSA-N -1 1 319.369 0.679 20 0 DCADMM COCCCOC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001591416353 1167276153 /nfs/dbraw/zinc/27/61/53/1167276153.db2.gz KTEJHPMYSRHBKO-UHFFFAOYSA-N -1 1 319.369 0.679 20 0 DCADMM COCCO[C@@H]1CCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001591433408 1167284597 /nfs/dbraw/zinc/28/45/97/1167284597.db2.gz DXYPNXXDYVDDNX-SECBINFHSA-N -1 1 310.383 0.561 20 0 DCADMM COCCO[C@@H]1CCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001591433408 1167284601 /nfs/dbraw/zinc/28/46/01/1167284601.db2.gz DXYPNXXDYVDDNX-SECBINFHSA-N -1 1 310.383 0.561 20 0 DCADMM COCCn1cc(CNc2nc(C)cc(-c3nnn[n-]3)n2)cn1 ZINC001591450988 1167291419 /nfs/dbraw/zinc/29/14/19/1167291419.db2.gz ZUGCEAWUWBWVST-UHFFFAOYSA-N -1 1 315.341 0.420 20 0 DCADMM COCCn1cc(CNc2nc(C)cc(-c3nn[n-]n3)n2)cn1 ZINC001591450988 1167291425 /nfs/dbraw/zinc/29/14/25/1167291425.db2.gz ZUGCEAWUWBWVST-UHFFFAOYSA-N -1 1 315.341 0.420 20 0 DCADMM COCc1nc(Cn2ccn3ncc(-c4nn[n-]n4)c23)cs1 ZINC001591459991 1167294169 /nfs/dbraw/zinc/29/41/69/1167294169.db2.gz PSMMLSYJVFUHNL-UHFFFAOYSA-N -1 1 316.350 0.967 20 0 DCADMM COc1cccc(C(=O)Cn2cnc(-c3nn[n-]n3)cc2=O)c1 ZINC001591631916 1167342074 /nfs/dbraw/zinc/34/20/74/1167342074.db2.gz IUJYIFXCHPZVLA-UHFFFAOYSA-N -1 1 312.289 0.315 20 0 DCADMM COc1ncc(NC(=O)C2=COCCC2)cc1-c1nn[n-]n1 ZINC001591663943 1167343276 /nfs/dbraw/zinc/34/32/76/1167343276.db2.gz FJWLBQWQSBFPEH-UHFFFAOYSA-N -1 1 302.294 0.903 20 0 DCADMM COc1ncccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001591668752 1167345244 /nfs/dbraw/zinc/34/52/44/1167345244.db2.gz TVVRSXHMXLUMCE-UHFFFAOYSA-N -1 1 311.305 0.942 20 0 DCADMM COc1ncc(NC(=O)N2CC(C)(OC)C2)cc1-c1nn[n-]n1 ZINC001591666678 1167345742 /nfs/dbraw/zinc/34/57/42/1167345742.db2.gz UZRSSJMQPCRBQC-UHFFFAOYSA-N -1 1 319.325 0.523 20 0 DCADMM CS(=O)(=O)CC1(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001591673674 1167348643 /nfs/dbraw/zinc/34/86/43/1167348643.db2.gz SVCIWNDCAPSRGU-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM CS(=O)(=O)CC1(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001591673674 1167348647 /nfs/dbraw/zinc/34/86/47/1167348647.db2.gz SVCIWNDCAPSRGU-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM C[S@@](=O)C1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001591682736 1167351325 /nfs/dbraw/zinc/35/13/25/1167351325.db2.gz LNHAFEBXMHBANQ-JOCHJYFZSA-N -1 1 320.378 0.293 20 0 DCADMM C[S@@](=O)C1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001591682736 1167351333 /nfs/dbraw/zinc/35/13/33/1167351333.db2.gz LNHAFEBXMHBANQ-JOCHJYFZSA-N -1 1 320.378 0.293 20 0 DCADMM CS[C@H](C)[C@H](C)OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591687693 1167354218 /nfs/dbraw/zinc/35/42/18/1167354218.db2.gz QLUSLXNVBQXECS-BIIVOSGPSA-N -1 1 311.371 0.702 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1C ZINC001591725442 1167360579 /nfs/dbraw/zinc/36/05/79/1167360579.db2.gz HAWGVQHXBDSDLD-HRDYMLBCSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C ZINC001591725442 1167360584 /nfs/dbraw/zinc/36/05/84/1167360584.db2.gz HAWGVQHXBDSDLD-HRDYMLBCSA-N -1 1 302.342 0.229 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@@H](C)C(C)(C)C)c(=O)n1C ZINC001591794050 1167380331 /nfs/dbraw/zinc/38/03/31/1167380331.db2.gz WDMIUNDCBGDZGG-MRVPVSSYSA-N -1 1 306.370 0.718 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C/C=C\Cl)c(=O)n1C1CC1 ZINC001591794003 1167381939 /nfs/dbraw/zinc/38/19/39/1167381939.db2.gz UEGJQGHIPYRDDG-DJWKRKHSSA-N -1 1 308.729 0.586 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC(C)(C)O2)nn1C ZINC001591799534 1167384332 /nfs/dbraw/zinc/38/43/32/1167384332.db2.gz UBAOMCHSSVRMAE-QMMMGPOBSA-N -1 1 305.342 0.805 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC(C)(C)O2)nn1C ZINC001591799534 1167384338 /nfs/dbraw/zinc/38/43/38/1167384338.db2.gz UBAOMCHSSVRMAE-QMMMGPOBSA-N -1 1 305.342 0.805 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)nn1C ZINC001591797683 1167384481 /nfs/dbraw/zinc/38/44/81/1167384481.db2.gz PNXLPBLHLUNRRZ-SZEHBUNVSA-N -1 1 303.326 0.272 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)nn1C ZINC001591797683 1167384491 /nfs/dbraw/zinc/38/44/91/1167384491.db2.gz PNXLPBLHLUNRRZ-SZEHBUNVSA-N -1 1 303.326 0.272 20 0 DCADMM Cc1cc(N(C)CC(C)(C)S(C)(=O)=O)cc(-c2nnn[n-]2)n1 ZINC001591994024 1167431142 /nfs/dbraw/zinc/43/11/42/1167431142.db2.gz TWLJTEIIRPZYDQ-UHFFFAOYSA-N -1 1 324.410 0.830 20 0 DCADMM Cc1cc(N(C)CC(C)(C)S(C)(=O)=O)cc(-c2nn[n-]n2)n1 ZINC001591994024 1167431144 /nfs/dbraw/zinc/43/11/44/1167431144.db2.gz TWLJTEIIRPZYDQ-UHFFFAOYSA-N -1 1 324.410 0.830 20 0 DCADMM Cc1cc(NC[C@H](CO)[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592042090 1167444279 /nfs/dbraw/zinc/44/42/79/1167444279.db2.gz XAPUSDSXRMPONO-WDEREUQCSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(NC[C@H](CO)[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592042090 1167444283 /nfs/dbraw/zinc/44/42/83/1167444283.db2.gz XAPUSDSXRMPONO-WDEREUQCSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCS(=O)(=O)C[C@H](C)C1 ZINC001592113396 1167457835 /nfs/dbraw/zinc/45/78/35/1167457835.db2.gz FZUWHUCKPPSIFA-SECBINFHSA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCS(=O)(=O)C[C@H](C)C1 ZINC001592113396 1167457842 /nfs/dbraw/zinc/45/78/42/1167457842.db2.gz FZUWHUCKPPSIFA-SECBINFHSA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001592110222 1167458776 /nfs/dbraw/zinc/45/87/76/1167458776.db2.gz LOVLBAGZQQZNLL-IAQYHMDHSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001592110222 1167458781 /nfs/dbraw/zinc/45/87/81/1167458781.db2.gz LOVLBAGZQQZNLL-IAQYHMDHSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)nc1 ZINC001592156790 1167465172 /nfs/dbraw/zinc/46/51/72/1167465172.db2.gz XNDDQGRPLAHLME-VIFPVBQESA-N -1 1 313.325 0.039 20 0 DCADMM Cc1ccc(N2CCC(OCCCO)CC2)nc1-c1nnn[n-]1 ZINC001592178185 1167470144 /nfs/dbraw/zinc/47/01/44/1167470144.db2.gz SSILYHCHVGUFRW-UHFFFAOYSA-N -1 1 318.381 0.938 20 0 DCADMM Cc1ccc(N2CCC(OCCCO)CC2)nc1-c1nn[n-]n1 ZINC001592178185 1167470148 /nfs/dbraw/zinc/47/01/48/1167470148.db2.gz SSILYHCHVGUFRW-UHFFFAOYSA-N -1 1 318.381 0.938 20 0 DCADMM Cc1ccc(N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)c(-c2nnn[n-]2)n1 ZINC001592183484 1167471117 /nfs/dbraw/zinc/47/11/17/1167471117.db2.gz FOBGNKOERQDKPQ-WLLOZRIZSA-N -1 1 304.354 0.646 20 0 DCADMM Cc1ccc(N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)c(-c2nn[n-]n2)n1 ZINC001592183484 1167471120 /nfs/dbraw/zinc/47/11/20/1167471120.db2.gz FOBGNKOERQDKPQ-WLLOZRIZSA-N -1 1 304.354 0.646 20 0 DCADMM Cc1ccc(N2CCO[C@]3(CCO[C@@H]3C)C2)c(-c2nnn[n-]2)n1 ZINC001592176658 1167471406 /nfs/dbraw/zinc/47/14/06/1167471406.db2.gz UEEGSNIFZGDEBW-IAQYHMDHSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@]3(CCO[C@@H]3C)C2)c(-c2nn[n-]n2)n1 ZINC001592176658 1167471410 /nfs/dbraw/zinc/47/14/10/1167471410.db2.gz UEEGSNIFZGDEBW-IAQYHMDHSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(NC[C@]2(CCO)CCOC2)nc1-c1nnn[n-]1 ZINC001592183306 1167471536 /nfs/dbraw/zinc/47/15/36/1167471536.db2.gz PJGPXAXHSYSFAZ-AWEZNQCLSA-N -1 1 304.354 0.771 20 0 DCADMM Cc1ccc(NC[C@]2(CCO)CCOC2)nc1-c1nn[n-]n1 ZINC001592183306 1167471548 /nfs/dbraw/zinc/47/15/48/1167471548.db2.gz PJGPXAXHSYSFAZ-AWEZNQCLSA-N -1 1 304.354 0.771 20 0 DCADMM Cc1cccc(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001592231308 1167477967 /nfs/dbraw/zinc/47/79/67/1167477967.db2.gz SZPYJMXERWPYAQ-VIFPVBQESA-N -1 1 313.325 0.039 20 0 DCADMM Cc1ccccc1CCNC(=O)Cn1cnnc1-c1nn[n-]n1 ZINC001592257980 1167478525 /nfs/dbraw/zinc/47/85/25/1167478525.db2.gz NLWKQGAKBSOYCJ-UHFFFAOYSA-N -1 1 312.337 0.126 20 0 DCADMM Cc1ccn(Cc2nn(C)cc2Cl)c(=O)c1-c1nn[n-]n1 ZINC001592265526 1167479815 /nfs/dbraw/zinc/47/98/15/1167479815.db2.gz DWLHYGSCUFRUGK-UHFFFAOYSA-N -1 1 305.729 0.772 20 0 DCADMM Cc1ccnc(-c2noc(Cn3ccnc3-c3nnn[n-]3)n2)c1 ZINC001592270395 1167479908 /nfs/dbraw/zinc/47/99/08/1167479908.db2.gz FANSGDNPTPEXCI-UHFFFAOYSA-N -1 1 309.293 0.865 20 0 DCADMM Cc1ccnc(-c2noc(Cn3ccnc3-c3nn[n-]n3)n2)c1 ZINC001592270395 1167479916 /nfs/dbraw/zinc/47/99/16/1167479916.db2.gz FANSGDNPTPEXCI-UHFFFAOYSA-N -1 1 309.293 0.865 20 0 DCADMM Cc1ccn(CCCN2CCOC2=O)c(=O)c1-c1nn[n-]n1 ZINC001592266519 1167479920 /nfs/dbraw/zinc/47/99/20/1167479920.db2.gz UIOLGXJBGKNRGY-UHFFFAOYSA-N -1 1 304.310 0.179 20 0 DCADMM Cc1ccn(CN2C[C@@H]3C[C@H]2CS3)c(=O)c1-c1nn[n-]n1 ZINC001592267285 1167480030 /nfs/dbraw/zinc/48/00/30/1167480030.db2.gz OFOWDIFCIKNZIW-UWVGGRQHSA-N -1 1 304.379 0.484 20 0 DCADMM Cc1cc[nH]c(=O)c1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592275506 1167482323 /nfs/dbraw/zinc/48/23/23/1167482323.db2.gz OZSKBQMYTRAQMB-UHFFFAOYSA-N -1 1 311.305 0.601 20 0 DCADMM Cc1cc[nH]c(=O)c1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592275506 1167482327 /nfs/dbraw/zinc/48/23/27/1167482327.db2.gz OZSKBQMYTRAQMB-UHFFFAOYSA-N -1 1 311.305 0.601 20 0 DCADMM Cc1onc(CC(=O)NCc2ccncc2C)c1-c1nnn[n-]1 ZINC001592302232 1167487021 /nfs/dbraw/zinc/48/70/21/1167487021.db2.gz XUKKGICEJBRLDN-UHFFFAOYSA-N -1 1 313.321 0.725 20 0 DCADMM Cc1onc(CC(=O)NCc2ccncc2C)c1-c1nn[n-]n1 ZINC001592302232 1167487023 /nfs/dbraw/zinc/48/70/23/1167487023.db2.gz XUKKGICEJBRLDN-UHFFFAOYSA-N -1 1 313.321 0.725 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001592328083 1167488720 /nfs/dbraw/zinc/48/87/20/1167488720.db2.gz PSJYRFBOMMVRAT-IMTBSYHQSA-N -1 1 303.326 0.842 20 0 DCADMM Cc1[nH]nc(NC(=O)COC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001592327586 1167489141 /nfs/dbraw/zinc/48/91/41/1167489141.db2.gz GFZHDKKKIDXKBH-QMMMGPOBSA-N -1 1 307.314 0.032 20 0 DCADMM Cc1[nH]nc(NC(=O)C2=NC(=O)C(C)S2)c1-c1nn[n-]n1 ZINC001592330580 1167490818 /nfs/dbraw/zinc/49/08/18/1167490818.db2.gz JYCUNSBEQYAJEW-UHFFFAOYSA-N -1 1 306.311 0.621 20 0 DCADMM Cc1[nH]nc(NC(=O)c2c(C3CC3)cnn2C)c1-c1nn[n-]n1 ZINC001592329745 1167491367 /nfs/dbraw/zinc/49/13/67/1167491367.db2.gz FDGXTJOSNUIYLR-UHFFFAOYSA-N -1 1 313.325 0.761 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(Cc2nnnn2C(C)(C)C)c1C ZINC001592341072 1167494860 /nfs/dbraw/zinc/49/48/60/1167494860.db2.gz PZRLIEKQAZPQKI-UHFFFAOYSA-N -1 1 302.346 0.470 20 0 DCADMM Cc1nc(-c2nn[n-]n2)n(Cc2nnnn2C(C)(C)C)c1C ZINC001592341072 1167494862 /nfs/dbraw/zinc/49/48/62/1167494862.db2.gz PZRLIEKQAZPQKI-UHFFFAOYSA-N -1 1 302.346 0.470 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCC[C@]3(C(N)=O)C2)n1 ZINC001592341675 1167495766 /nfs/dbraw/zinc/49/57/66/1167495766.db2.gz ZJRAPVHZCYORJO-XPTSAGLGSA-N -1 1 314.353 0.057 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCC[C@]3(C(N)=O)C2)n1 ZINC001592341675 1167495769 /nfs/dbraw/zinc/49/57/69/1167495769.db2.gz ZJRAPVHZCYORJO-XPTSAGLGSA-N -1 1 314.353 0.057 20 0 DCADMM Cc1nc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cs1 ZINC001592359671 1167503371 /nfs/dbraw/zinc/50/33/71/1167503371.db2.gz JIWRISGTVYNFCS-UHFFFAOYSA-N -1 1 304.339 0.546 20 0 DCADMM Cc1nc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cs1 ZINC001592359671 1167503376 /nfs/dbraw/zinc/50/33/76/1167503376.db2.gz JIWRISGTVYNFCS-UHFFFAOYSA-N -1 1 304.339 0.546 20 0 DCADMM Cc1nc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)sc1C ZINC001592359480 1167505668 /nfs/dbraw/zinc/50/56/68/1167505668.db2.gz BMARMYHBDMYETO-UHFFFAOYSA-N -1 1 304.339 0.844 20 0 DCADMM Cc1nc(NCC(O)(C2CC2)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001592386110 1167510835 /nfs/dbraw/zinc/51/08/35/1167510835.db2.gz OJOSNQIGNBNLOF-UHFFFAOYSA-N -1 1 301.354 0.928 20 0 DCADMM Cc1nc(NCC(O)(C2CC2)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001592386110 1167510842 /nfs/dbraw/zinc/51/08/42/1167510842.db2.gz OJOSNQIGNBNLOF-UHFFFAOYSA-N -1 1 301.354 0.928 20 0 DCADMM Cc1ncc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)o1 ZINC001592410449 1167515473 /nfs/dbraw/zinc/51/54/73/1167515473.db2.gz RGQZZYKKBIUMOT-LURJTMIESA-N -1 1 304.270 0.059 20 0 DCADMM Cc1nccnc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592419464 1167516561 /nfs/dbraw/zinc/51/65/61/1167516561.db2.gz HUUXXWOVCUTENY-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1nccnc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592419464 1167516566 /nfs/dbraw/zinc/51/65/66/1167516566.db2.gz HUUXXWOVCUTENY-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1ncnc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC001592420580 1167516904 /nfs/dbraw/zinc/51/69/04/1167516904.db2.gz PVZQZXOAMLUJBF-UHFFFAOYSA-N -1 1 314.357 0.624 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001592427968 1167520155 /nfs/dbraw/zinc/52/01/55/1167520155.db2.gz YMMWHQMWBKXMOX-SNVBAGLBSA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001592427968 1167520159 /nfs/dbraw/zinc/52/01/59/1167520159.db2.gz YMMWHQMWBKXMOX-SNVBAGLBSA-N -1 1 315.341 0.153 20 0 DCADMM Cc1noc([C@H](C)N(C)C(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001592455629 1167529466 /nfs/dbraw/zinc/52/94/66/1167529466.db2.gz PBFJCOHSQMACCI-LURJTMIESA-N -1 1 303.282 0.984 20 0 DCADMM Cc1noc([C@H](C)N(C)C(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001592455629 1167529471 /nfs/dbraw/zinc/52/94/71/1167529471.db2.gz PBFJCOHSQMACCI-LURJTMIESA-N -1 1 303.282 0.984 20 0 DCADMM Cc1nnccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592453472 1167529579 /nfs/dbraw/zinc/52/95/79/1167529579.db2.gz YIEKCIPSHHEUHO-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1noc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592461934 1167532237 /nfs/dbraw/zinc/53/22/37/1167532237.db2.gz MLGZDRPKSZJUBR-UHFFFAOYSA-N -1 1 301.270 0.275 20 0 DCADMM Cc1noc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592461934 1167532243 /nfs/dbraw/zinc/53/22/43/1167532243.db2.gz MLGZDRPKSZJUBR-UHFFFAOYSA-N -1 1 301.270 0.275 20 0 DCADMM Cc1nonc1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592466823 1167532262 /nfs/dbraw/zinc/53/22/62/1167532262.db2.gz FSVZUAXEBWIQCV-UHFFFAOYSA-N -1 1 301.270 0.275 20 0 DCADMM Cc1nonc1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592466823 1167532266 /nfs/dbraw/zinc/53/22/66/1167532266.db2.gz FSVZUAXEBWIQCV-UHFFFAOYSA-N -1 1 301.270 0.275 20 0 DCADMM Cc1nsc(N(C)CCN2CCCC2=O)c1-c1nn[n-]n1 ZINC001592471670 1167532413 /nfs/dbraw/zinc/53/24/13/1167532413.db2.gz ZJRBQRKSQKESHI-UHFFFAOYSA-N -1 1 307.383 0.690 20 0 DCADMM Cc1nsc(NCCNC(=O)[C@H]2C[C@@H]2C)c1-c1nn[n-]n1 ZINC001592491140 1167537105 /nfs/dbraw/zinc/53/71/05/1167537105.db2.gz KFJAPBITOXVAMU-XPUUQOCRSA-N -1 1 307.383 0.816 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1ccnn1C ZINC001592500235 1167541389 /nfs/dbraw/zinc/54/13/89/1167541389.db2.gz BXIYKOCSUVHAIT-UHFFFAOYSA-N -1 1 301.310 0.474 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1ccnn1C ZINC001592500235 1167541395 /nfs/dbraw/zinc/54/13/95/1167541395.db2.gz BXIYKOCSUVHAIT-UHFFFAOYSA-N -1 1 301.310 0.474 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1CCC(=O)N(C)C1 ZINC001592502428 1167541684 /nfs/dbraw/zinc/54/16/84/1167541684.db2.gz SJGBAINEHFYSMZ-MRVPVSSYSA-N -1 1 305.294 0.546 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1CCC(=O)N(C)C1 ZINC001592502428 1167541688 /nfs/dbraw/zinc/54/16/88/1167541688.db2.gz SJGBAINEHFYSMZ-MRVPVSSYSA-N -1 1 305.294 0.546 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCN1CCCC1=O ZINC001592501266 1167541777 /nfs/dbraw/zinc/54/17/77/1167541777.db2.gz MPTNMDIINWQTAR-UHFFFAOYSA-N -1 1 304.310 0.120 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCN1CCCC1=O ZINC001592501266 1167541783 /nfs/dbraw/zinc/54/17/83/1167541783.db2.gz MPTNMDIINWQTAR-UHFFFAOYSA-N -1 1 304.310 0.120 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001592500663 1167542181 /nfs/dbraw/zinc/54/21/81/1167542181.db2.gz YOROXVBSPNPHMC-SECBINFHSA-N -1 1 316.321 0.215 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001592500663 1167542187 /nfs/dbraw/zinc/54/21/87/1167542187.db2.gz YOROXVBSPNPHMC-SECBINFHSA-N -1 1 316.321 0.215 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCn2ccnc2C1 ZINC001592503370 1167545118 /nfs/dbraw/zinc/54/51/18/1167545118.db2.gz TVQARKFWLSRVQU-VIFPVBQESA-N -1 1 313.321 0.709 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCn2ccnc2C1 ZINC001592503370 1167545125 /nfs/dbraw/zinc/54/51/25/1167545125.db2.gz TVQARKFWLSRVQU-VIFPVBQESA-N -1 1 313.321 0.709 20 0 DCADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CO)c1-c1nnn[n-]1 ZINC001592515602 1167545226 /nfs/dbraw/zinc/54/52/26/1167545226.db2.gz IJOGZUTZTKNVAZ-SECBINFHSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CO)c1-c1nn[n-]n1 ZINC001592515602 1167545231 /nfs/dbraw/zinc/54/52/31/1167545231.db2.gz IJOGZUTZTKNVAZ-SECBINFHSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CC[C@H](O)CC2)c1-c1nnn[n-]1 ZINC001592516501 1167546666 /nfs/dbraw/zinc/54/66/66/1167546666.db2.gz PBUQPASXJUAOGV-KYZUINATSA-N -1 1 306.326 0.125 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CC[C@H](O)CC2)c1-c1nn[n-]n1 ZINC001592516501 1167546672 /nfs/dbraw/zinc/54/66/72/1167546672.db2.gz PBUQPASXJUAOGV-KYZUINATSA-N -1 1 306.326 0.125 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2COC[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC001592517936 1167546868 /nfs/dbraw/zinc/54/68/68/1167546868.db2.gz YFMZEGSJFSYJFW-GXSJLCMTSA-N -1 1 318.337 0.247 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2COC[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC001592517936 1167546873 /nfs/dbraw/zinc/54/68/73/1167546873.db2.gz YFMZEGSJFSYJFW-GXSJLCMTSA-N -1 1 318.337 0.247 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CC[C@@H](C)O2)c1-c1nnn[n-]1 ZINC001592516953 1167548075 /nfs/dbraw/zinc/54/80/75/1167548075.db2.gz CMZWEVDUKZSCJU-APPZFPTMSA-N -1 1 306.326 0.389 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CC[C@@H](C)O2)c1-c1nn[n-]n1 ZINC001592516953 1167548083 /nfs/dbraw/zinc/54/80/83/1167548083.db2.gz CMZWEVDUKZSCJU-APPZFPTMSA-N -1 1 306.326 0.389 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCOC[C@H]2C)c1-c1nnn[n-]1 ZINC001592516802 1167548287 /nfs/dbraw/zinc/54/82/87/1167548287.db2.gz ACCZTTYHCZSYLA-PSASIEDQSA-N -1 1 320.353 0.494 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCOC[C@H]2C)c1-c1nn[n-]n1 ZINC001592516802 1167548295 /nfs/dbraw/zinc/54/82/95/1167548295.db2.gz ACCZTTYHCZSYLA-PSASIEDQSA-N -1 1 320.353 0.494 20 0 DCADMM Cn1c(=O)[nH]c(NCCC(F)(F)F)c(-c2nn[n-]n2)c1=O ZINC001592545595 1167549878 /nfs/dbraw/zinc/54/98/78/1167549878.db2.gz GBCZLLJWEQDOCL-UHFFFAOYSA-N -1 1 305.220 0.030 20 0 DCADMM Cn1c(=O)[nH]c(NC2(C)C(C)(C)C2(C)C)c(-c2nn[n-]n2)c1=O ZINC001592544266 1167550640 /nfs/dbraw/zinc/55/06/40/1167550640.db2.gz RDVXNJINXNLTRU-UHFFFAOYSA-N -1 1 319.369 0.903 20 0 DCADMM Cn1c(=O)[nH]c(NCC[C@@H]2CC[C@@H]3C[C@@H]32)c(-c2nn[n-]n2)c1=O ZINC001592546849 1167552593 /nfs/dbraw/zinc/55/25/93/1167552593.db2.gz SDXPSGXZWMPIHL-DJLDLDEBSA-N -1 1 317.353 0.514 20 0 DCADMM Cn1c(Sc2cnc(-c3nnn[n-]3)cn2)nnc1C(F)F ZINC001592557219 1167558585 /nfs/dbraw/zinc/55/85/85/1167558585.db2.gz UATBWSMFHZUIHN-UHFFFAOYSA-N -1 1 311.281 0.874 20 0 DCADMM Cn1c(Sc2cnc(-c3nn[n-]n3)cn2)nnc1C(F)F ZINC001592557219 1167558591 /nfs/dbraw/zinc/55/85/91/1167558591.db2.gz UATBWSMFHZUIHN-UHFFFAOYSA-N -1 1 311.281 0.874 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2C[C@@H](O)CC(C)(C)C2)n1 ZINC001592559020 1167559510 /nfs/dbraw/zinc/55/95/10/1167559510.db2.gz STUUJHIPUCXWEC-QMMMGPOBSA-N -1 1 320.357 0.225 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2C[C@@H](O)CC(C)(C)C2)n1 ZINC001592559020 1167559516 /nfs/dbraw/zinc/55/95/16/1167559516.db2.gz STUUJHIPUCXWEC-QMMMGPOBSA-N -1 1 320.357 0.225 20 0 DCADMM Cn1ccc(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001592580062 1167569223 /nfs/dbraw/zinc/56/92/23/1167569223.db2.gz KWXPJZRSXJPRIO-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ccc(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001592580062 1167569227 /nfs/dbraw/zinc/56/92/27/1167569227.db2.gz KWXPJZRSXJPRIO-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cnnc1CCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592591203 1167572672 /nfs/dbraw/zinc/57/26/72/1167572672.db2.gz OVWHEINNTZQZTM-UHFFFAOYSA-N -1 1 316.300 0.107 20 0 DCADMM Cn1cnnc1CCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592591203 1167572680 /nfs/dbraw/zinc/57/26/80/1167572680.db2.gz OVWHEINNTZQZTM-UHFFFAOYSA-N -1 1 316.300 0.107 20 0 DCADMM Cn1cnc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC001592587772 1167573694 /nfs/dbraw/zinc/57/36/94/1167573694.db2.gz PGMYCGYUVSYRDK-UHFFFAOYSA-N -1 1 307.317 0.963 20 0 DCADMM FC[C@@H]1CN(Cc2cnc3c(-c4nnn[n-]4)cnn3c2)CCO1 ZINC001592632613 1167588750 /nfs/dbraw/zinc/58/87/50/1167588750.db2.gz YLRUYHMXMNWHQJ-SNVBAGLBSA-N -1 1 318.316 0.080 20 0 DCADMM FC[C@@H]1CN(Cc2cnc3c(-c4nn[n-]n4)cnn3c2)CCO1 ZINC001592632613 1167588755 /nfs/dbraw/zinc/58/87/55/1167588755.db2.gz YLRUYHMXMNWHQJ-SNVBAGLBSA-N -1 1 318.316 0.080 20 0 DCADMM Fc1cc(Cn2cc(-c3nn[n-]n3)nn2)c2c(c1)COCO2 ZINC001592642773 1167589362 /nfs/dbraw/zinc/58/93/62/1167589362.db2.gz CYZWVJHNICHIAK-UHFFFAOYSA-N -1 1 303.257 0.512 20 0 DCADMM NC(=O)c1cc2cc(Nc3cncc(-c4nnn[n-]4)n3)ccc2[nH]1 ZINC001592735049 1167619778 /nfs/dbraw/zinc/61/97/78/1167619778.db2.gz ATUDXGIGYSYULM-UHFFFAOYSA-N -1 1 321.304 0.981 20 0 DCADMM NC(=O)c1cc2cc(Nc3cncc(-c4nn[n-]n4)n3)ccc2[nH]1 ZINC001592735049 1167619779 /nfs/dbraw/zinc/61/97/79/1167619779.db2.gz ATUDXGIGYSYULM-UHFFFAOYSA-N -1 1 321.304 0.981 20 0 DCADMM NC(=O)NC(=O)OCCCSc1cccnc1-c1nnn[n-]1 ZINC001592731761 1167621119 /nfs/dbraw/zinc/62/11/19/1167621119.db2.gz MMWPKTQLDJEDNQ-UHFFFAOYSA-N -1 1 323.338 0.549 20 0 DCADMM NC(=O)NC(=O)OCCCSc1cccnc1-c1nn[n-]n1 ZINC001592731761 1167621126 /nfs/dbraw/zinc/62/11/26/1167621126.db2.gz MMWPKTQLDJEDNQ-UHFFFAOYSA-N -1 1 323.338 0.549 20 0 DCADMM NC(=O)c1csc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592738503 1167622372 /nfs/dbraw/zinc/62/23/72/1167622372.db2.gz RJJZRQVYDGIFJQ-UHFFFAOYSA-N -1 1 316.306 0.069 20 0 DCADMM NC(=O)c1csc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592738503 1167622376 /nfs/dbraw/zinc/62/23/76/1167622376.db2.gz RJJZRQVYDGIFJQ-UHFFFAOYSA-N -1 1 316.306 0.069 20 0 DCADMM Nc1ncc2c(n1)CCN(C(=O)c1coc(-c3nnn[n-]3)c1)C2 ZINC001592762935 1167638489 /nfs/dbraw/zinc/63/84/89/1167638489.db2.gz RLQFEPAUHCXMNT-UHFFFAOYSA-N -1 1 312.293 0.030 20 0 DCADMM Nc1ncc2c(n1)CCN(C(=O)c1coc(-c3nn[n-]n3)c1)C2 ZINC001592762935 1167638492 /nfs/dbraw/zinc/63/84/92/1167638492.db2.gz RLQFEPAUHCXMNT-UHFFFAOYSA-N -1 1 312.293 0.030 20 0 DCADMM O=C(C=Cc1cncc(F)c1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592803852 1167644084 /nfs/dbraw/zinc/64/40/84/1167644084.db2.gz PWVHVEPTHBSYLK-OWOJBTEDSA-N -1 1 300.257 0.776 20 0 DCADMM O=C(C[C@H]1C=CCC1)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592810725 1167645207 /nfs/dbraw/zinc/64/52/07/1167645207.db2.gz WCDGKOGZFFBPDQ-JTQLQIEISA-N -1 1 314.353 0.541 20 0 DCADMM O=C(C[C@H]1C=CCC1)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592810725 1167645212 /nfs/dbraw/zinc/64/52/12/1167645212.db2.gz WCDGKOGZFFBPDQ-JTQLQIEISA-N -1 1 314.353 0.541 20 0 DCADMM O=C(CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)NC1CC1 ZINC001592870663 1167653774 /nfs/dbraw/zinc/65/37/74/1167653774.db2.gz WIEUAMJOVCUJFO-UHFFFAOYSA-N -1 1 322.275 0.153 20 0 DCADMM O=C(CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)NC1CC1 ZINC001592870663 1167653778 /nfs/dbraw/zinc/65/37/78/1167653778.db2.gz WIEUAMJOVCUJFO-UHFFFAOYSA-N -1 1 322.275 0.153 20 0 DCADMM O=C(CNC(=O)c1coc(-c2nnn[n-]2)c1)NCc1ccco1 ZINC001592873974 1167654585 /nfs/dbraw/zinc/65/45/85/1167654585.db2.gz SZZUQYDQMAINOD-UHFFFAOYSA-N -1 1 316.277 0.099 20 0 DCADMM O=C(CNC(=O)c1coc(-c2nn[n-]n2)c1)NCc1ccco1 ZINC001592873974 1167654589 /nfs/dbraw/zinc/65/45/89/1167654589.db2.gz SZZUQYDQMAINOD-UHFFFAOYSA-N -1 1 316.277 0.099 20 0 DCADMM O=C(Cn1cc(C2CC2)nn1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592936921 1167667902 /nfs/dbraw/zinc/66/79/02/1167667902.db2.gz NDEHJUBGUJNXJD-UHFFFAOYSA-N -1 1 315.293 0.672 20 0 DCADMM O=C(Cn1cc(C2CC2)nn1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592936921 1167667906 /nfs/dbraw/zinc/66/79/06/1167667906.db2.gz NDEHJUBGUJNXJD-UHFFFAOYSA-N -1 1 315.293 0.672 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCC2(CC2)C1 ZINC001592940271 1167670442 /nfs/dbraw/zinc/67/04/42/1167670442.db2.gz WJOQPBQEPOUMGG-VIFPVBQESA-N -1 1 302.342 0.297 20 0 DCADMM O=C(N[C@H]1CCCn2nccc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001592985811 1167679404 /nfs/dbraw/zinc/67/94/04/1167679404.db2.gz NTMFUKUHSQBVCT-JTQLQIEISA-N -1 1 310.321 0.723 20 0 DCADMM O=C(N[C@H]1CCCn2nccc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001592985811 1167679406 /nfs/dbraw/zinc/67/94/06/1167679406.db2.gz NTMFUKUHSQBVCT-JTQLQIEISA-N -1 1 310.321 0.723 20 0 DCADMM O=C(N[C@@H]1CCCn2nccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001592985886 1167679611 /nfs/dbraw/zinc/67/96/11/1167679611.db2.gz QWKFWSOESCJPCR-SNVBAGLBSA-N -1 1 310.321 0.723 20 0 DCADMM O=C(N[C@@H]1CCCn2nccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001592985886 1167679614 /nfs/dbraw/zinc/67/96/14/1167679614.db2.gz QWKFWSOESCJPCR-SNVBAGLBSA-N -1 1 310.321 0.723 20 0 DCADMM O=C(NC[C@@H](O)c1cncs1)c1cccc(-c2nnn[n-]2)n1 ZINC001593013974 1167688383 /nfs/dbraw/zinc/68/83/83/1167688383.db2.gz QXWKYEZZUKTVKE-SECBINFHSA-N -1 1 317.334 0.182 20 0 DCADMM O=C(NC[C@@H](O)c1cncs1)c1cccc(-c2nn[n-]n2)n1 ZINC001593013974 1167688387 /nfs/dbraw/zinc/68/83/87/1167688387.db2.gz QXWKYEZZUKTVKE-SECBINFHSA-N -1 1 317.334 0.182 20 0 DCADMM O=C(NCC1=CCCOC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593021749 1167688706 /nfs/dbraw/zinc/68/87/06/1167688706.db2.gz QLFQEYRUKCAHOD-UHFFFAOYSA-N -1 1 301.310 0.730 20 0 DCADMM O=C(NCC1=CCCOC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593021749 1167688710 /nfs/dbraw/zinc/68/87/10/1167688710.db2.gz QLFQEYRUKCAHOD-UHFFFAOYSA-N -1 1 301.310 0.730 20 0 DCADMM O=C(NCCCCF)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593068279 1167697328 /nfs/dbraw/zinc/69/73/28/1167697328.db2.gz UNEKHSFGHHVKKL-UHFFFAOYSA-N -1 1 307.289 0.066 20 0 DCADMM O=C(NCCCCF)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593068279 1167697330 /nfs/dbraw/zinc/69/73/30/1167697330.db2.gz UNEKHSFGHHVKKL-UHFFFAOYSA-N -1 1 307.289 0.066 20 0 DCADMM O=C(NCCN1CCCC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001593084678 1167699915 /nfs/dbraw/zinc/69/99/15/1167699915.db2.gz OXKINRVMLGNRNK-UHFFFAOYSA-N -1 1 318.312 0.358 20 0 DCADMM O=C(NCCN1CCCC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001593084678 1167699918 /nfs/dbraw/zinc/69/99/18/1167699918.db2.gz OXKINRVMLGNRNK-UHFFFAOYSA-N -1 1 318.312 0.358 20 0 DCADMM O=C(NCCNc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001593087280 1167703980 /nfs/dbraw/zinc/70/39/80/1167703980.db2.gz SWKQVNWIYGJTHV-UHFFFAOYSA-N -1 1 310.321 0.499 20 0 DCADMM O=C(NCCNc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001593087280 1167703991 /nfs/dbraw/zinc/70/39/91/1167703991.db2.gz SWKQVNWIYGJTHV-UHFFFAOYSA-N -1 1 310.321 0.499 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)[C@@H]1C[C@H]1C1CC1 ZINC001593096035 1167706192 /nfs/dbraw/zinc/70/61/92/1167706192.db2.gz SJMKZXZRYDVZFV-VHSXEESVSA-N -1 1 314.353 0.231 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)[C@@H]1C[C@H]1C1CC1 ZINC001593096035 1167706199 /nfs/dbraw/zinc/70/61/99/1167706199.db2.gz SJMKZXZRYDVZFV-VHSXEESVSA-N -1 1 314.353 0.231 20 0 DCADMM O=C(NCCc1csc(=O)[nH]1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593107288 1167711567 /nfs/dbraw/zinc/71/15/67/1167711567.db2.gz VXINMHBJVXQWIJ-UHFFFAOYSA-N -1 1 317.334 0.396 20 0 DCADMM O=C(NCCc1csc(=O)[nH]1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593107288 1167711571 /nfs/dbraw/zinc/71/15/71/1167711571.db2.gz VXINMHBJVXQWIJ-UHFFFAOYSA-N -1 1 317.334 0.396 20 0 DCADMM O=C(NCCn1ccnn1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593110434 1167712561 /nfs/dbraw/zinc/71/25/61/1167712561.db2.gz YQKBENYPLSBNCS-UHFFFAOYSA-N -1 1 323.320 0.370 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1n[nH]cc1F ZINC001593122807 1167715466 /nfs/dbraw/zinc/71/54/66/1167715466.db2.gz NNXWFQFKMFEWEZ-UHFFFAOYSA-N -1 1 323.238 0.937 20 0 DCADMM O=C(NCc1ccc(-c2nn[nH]n2)s1)c1ncccc1[O-] ZINC001593137145 1167720152 /nfs/dbraw/zinc/72/01/52/1167720152.db2.gz OYBVFAPCGVNBHH-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCCOCC1 ZINC001593137589 1167721103 /nfs/dbraw/zinc/72/11/03/1167721103.db2.gz JQQOTKGSBDIDMY-UHFFFAOYSA-N -1 1 308.367 0.860 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593154391 1167728772 /nfs/dbraw/zinc/72/87/72/1167728772.db2.gz IZMGDXNQAIENGM-UHFFFAOYSA-N -1 1 311.309 0.118 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593154391 1167728781 /nfs/dbraw/zinc/72/87/81/1167728781.db2.gz IZMGDXNQAIENGM-UHFFFAOYSA-N -1 1 311.309 0.118 20 0 DCADMM O=C(NOCCC(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001593168739 1167730482 /nfs/dbraw/zinc/73/04/82/1167730482.db2.gz BDQRXTALYLLOQQ-UHFFFAOYSA-N -1 1 302.216 0.876 20 0 DCADMM O=C(NOCCC(F)(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001593168739 1167730489 /nfs/dbraw/zinc/73/04/89/1167730489.db2.gz BDQRXTALYLLOQQ-UHFFFAOYSA-N -1 1 302.216 0.876 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC001593243027 1167743398 /nfs/dbraw/zinc/74/33/98/1167743398.db2.gz HETZJSUASJRIGX-RKDXNWHRSA-N -1 1 313.321 0.069 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC001593243027 1167743407 /nfs/dbraw/zinc/74/34/07/1167743407.db2.gz HETZJSUASJRIGX-RKDXNWHRSA-N -1 1 313.321 0.069 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)NC1CCCCC1 ZINC001593242846 1167744219 /nfs/dbraw/zinc/74/42/19/1167744219.db2.gz CPOGQQPHWNJXES-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)NC1CCCCC1 ZINC001593242846 1167744225 /nfs/dbraw/zinc/74/42/25/1167744225.db2.gz CPOGQQPHWNJXES-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccnn1CC1CCC1 ZINC001593261559 1167746142 /nfs/dbraw/zinc/74/61/42/1167746142.db2.gz WRYLPMFNAQKFDV-UHFFFAOYSA-N -1 1 313.325 0.839 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CCc2ccccc2O1 ZINC001593259453 1167746368 /nfs/dbraw/zinc/74/63/68/1167746368.db2.gz ADCBAVIHJYNMSZ-NSHDSACASA-N -1 1 311.305 0.922 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H](CCO)C1CC1 ZINC001593256358 1167747618 /nfs/dbraw/zinc/74/76/18/1167747618.db2.gz QHXRSSQIKXRRTA-SNVBAGLBSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H](CCO)C1CC1 ZINC001593256358 1167747624 /nfs/dbraw/zinc/74/76/24/1167747624.db2.gz QHXRSSQIKXRRTA-SNVBAGLBSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(OCC[C@H]1CCOC1=O)c1cccc(-c2nnn[n-]2)n1 ZINC001593287204 1167761195 /nfs/dbraw/zinc/76/11/95/1167761195.db2.gz HTWRYHNQEIAAKA-MRVPVSSYSA-N -1 1 303.278 0.372 20 0 DCADMM O=C(OCC[C@H]1CCOC1=O)c1cccc(-c2nn[n-]n2)n1 ZINC001593287204 1167761204 /nfs/dbraw/zinc/76/12/04/1167761204.db2.gz HTWRYHNQEIAAKA-MRVPVSSYSA-N -1 1 303.278 0.372 20 0 DCADMM O=C(OCc1noc(C2CC2)n1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593305772 1167766689 /nfs/dbraw/zinc/76/66/89/1167766689.db2.gz BDUMAGKYHWUUII-UHFFFAOYSA-N -1 1 313.277 0.879 20 0 DCADMM O=C(OCc1noc(C2CC2)n1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593305772 1167766696 /nfs/dbraw/zinc/76/66/96/1167766696.db2.gz BDUMAGKYHWUUII-UHFFFAOYSA-N -1 1 313.277 0.879 20 0 DCADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001593307031 1167766711 /nfs/dbraw/zinc/76/67/11/1167766711.db2.gz KMOGMRSFDCECAI-XLPZGREQSA-N -1 1 319.346 0.982 20 0 DCADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001593307031 1167766720 /nfs/dbraw/zinc/76/67/20/1167766720.db2.gz KMOGMRSFDCECAI-XLPZGREQSA-N -1 1 319.346 0.982 20 0 DCADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1C[C@]12CCOC2 ZINC001593301787 1167767915 /nfs/dbraw/zinc/76/79/15/1167767915.db2.gz PMNNOJPJVVWDJW-HZMBPMFUSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1C[C@]12CCOC2 ZINC001593301787 1167767921 /nfs/dbraw/zinc/76/79/21/1167767921.db2.gz PMNNOJPJVVWDJW-HZMBPMFUSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(c1cc(-c2nn[nH]n2)cs1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001593326448 1167772192 /nfs/dbraw/zinc/77/21/92/1167772192.db2.gz ARQNQKRSGDJLDD-LURJTMIESA-N -1 1 317.338 0.071 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@H](C(F)(F)F)C1 ZINC001593338597 1167777997 /nfs/dbraw/zinc/77/79/97/1167777997.db2.gz FLZMMLNEKHPCCA-QMMMGPOBSA-N -1 1 317.227 0.863 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@H](C(F)(F)F)C1 ZINC001593338597 1167778007 /nfs/dbraw/zinc/77/80/07/1167778007.db2.gz FLZMMLNEKHPCCA-QMMMGPOBSA-N -1 1 317.227 0.863 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001593340239 1167782800 /nfs/dbraw/zinc/78/28/00/1167782800.db2.gz HOXWXGRYFNWYFI-JTQLQIEISA-N -1 1 317.227 0.599 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001593340239 1167782808 /nfs/dbraw/zinc/78/28/08/1167782808.db2.gz HOXWXGRYFNWYFI-JTQLQIEISA-N -1 1 317.227 0.599 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1c1ncc[nH]1 ZINC001593349065 1167784424 /nfs/dbraw/zinc/78/44/24/1167784424.db2.gz XURNZIQNDPNFMJ-LLVKDONJSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1ncc[nH]1 ZINC001593349065 1167784430 /nfs/dbraw/zinc/78/44/30/1167784430.db2.gz XURNZIQNDPNFMJ-LLVKDONJSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCSC[C@H]1CCO ZINC001593348466 1167786028 /nfs/dbraw/zinc/78/60/28/1167786028.db2.gz ABGFSACNCAKZKE-SECBINFHSA-N -1 1 320.378 0.202 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCSC[C@H]1CCO ZINC001593348466 1167786032 /nfs/dbraw/zinc/78/60/32/1167786032.db2.gz ABGFSACNCAKZKE-SECBINFHSA-N -1 1 320.378 0.202 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC001593369734 1167786668 /nfs/dbraw/zinc/78/66/68/1167786668.db2.gz OKHXOVROTZCFQK-BXUZGUMPSA-N -1 1 303.322 0.837 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC001593369734 1167786676 /nfs/dbraw/zinc/78/66/76/1167786676.db2.gz OKHXOVROTZCFQK-BXUZGUMPSA-N -1 1 303.322 0.837 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCO[C@]2(CCOC2)C1 ZINC001593362511 1167788820 /nfs/dbraw/zinc/78/88/20/1167788820.db2.gz QVVJPRLUIRILFJ-CYBMUJFWSA-N -1 1 321.362 0.560 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCO[C@]2(CCOC2)C1 ZINC001593362511 1167788830 /nfs/dbraw/zinc/78/88/30/1167788830.db2.gz QVVJPRLUIRILFJ-CYBMUJFWSA-N -1 1 321.362 0.560 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC(n2cncn2)C1 ZINC001593371855 1167791766 /nfs/dbraw/zinc/79/17/66/1167791766.db2.gz VJDOHFRHJZLWCS-UHFFFAOYSA-N -1 1 302.323 0.217 20 0 DCADMM O=C(NCCCc1cc(=O)[nH][nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC001593385369 1167795529 /nfs/dbraw/zinc/79/55/29/1167795529.db2.gz KPWBIMROCNIWCP-UHFFFAOYSA-N -1 1 319.350 0.314 20 0 DCADMM O=C(OC[C@H]1CCNC(=O)C1)c1ccc(-c2nnn[n-]2)s1 ZINC001593385590 1167798476 /nfs/dbraw/zinc/79/84/76/1167798476.db2.gz HYHCDNDNGCFYIZ-ZETCQYMHSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OC[C@H]1CCNC(=O)C1)c1ccc(-c2nn[n-]n2)s1 ZINC001593385590 1167798481 /nfs/dbraw/zinc/79/84/81/1167798481.db2.gz HYHCDNDNGCFYIZ-ZETCQYMHSA-N -1 1 307.335 0.611 20 0 DCADMM O=C1CCN(c2cncc(-c3nnn[n-]3)n2)CCCCCCN1 ZINC001593394651 1167805809 /nfs/dbraw/zinc/80/58/09/1167805809.db2.gz UBMBQGIGRMPQDA-UHFFFAOYSA-N -1 1 316.369 0.543 20 0 DCADMM O=C1CCN(c2cncc(-c3nn[n-]n3)n2)CCCCCCN1 ZINC001593394651 1167805816 /nfs/dbraw/zinc/80/58/16/1167805816.db2.gz UBMBQGIGRMPQDA-UHFFFAOYSA-N -1 1 316.369 0.543 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC(=O)N2CCC[C@H]21 ZINC001593395080 1167808508 /nfs/dbraw/zinc/80/85/08/1167808508.db2.gz NXVFNAHHLZRVEI-SECBINFHSA-N -1 1 318.362 0.723 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC(=O)N2CCC[C@H]21 ZINC001593395080 1167808520 /nfs/dbraw/zinc/80/85/20/1167808520.db2.gz NXVFNAHHLZRVEI-SECBINFHSA-N -1 1 318.362 0.723 20 0 DCADMM O=C(OC[C@H]1CCC(=O)N1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593397191 1167811492 /nfs/dbraw/zinc/81/14/92/1167811492.db2.gz QFWJSUUXXRUJDK-SSDOTTSWSA-N -1 1 305.269 0.441 20 0 DCADMM O=C(OC[C@H]1CCC(=O)N1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593397191 1167811500 /nfs/dbraw/zinc/81/15/00/1167811500.db2.gz QFWJSUUXXRUJDK-SSDOTTSWSA-N -1 1 305.269 0.441 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001593413654 1167829259 /nfs/dbraw/zinc/82/92/59/1167829259.db2.gz WNADUMPIHWVEMN-HTRCEHHLSA-N -1 1 305.319 0.173 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001593413654 1167829271 /nfs/dbraw/zinc/82/92/71/1167829271.db2.gz WNADUMPIHWVEMN-HTRCEHHLSA-N -1 1 305.319 0.173 20 0 DCADMM O=S(=O)(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC001593435687 1167837233 /nfs/dbraw/zinc/83/72/33/1167837233.db2.gz QCDQVDCCPGQEHZ-JZYVYDRUSA-N -1 1 306.351 0.339 20 0 DCADMM O=S(=O)(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC001593435687 1167837242 /nfs/dbraw/zinc/83/72/42/1167837242.db2.gz QCDQVDCCPGQEHZ-JZYVYDRUSA-N -1 1 306.351 0.339 20 0 DCADMM O=S(=O)(N[C@@H]1CCSC1)c1cccnc1-c1nn[n-]n1 ZINC001593431353 1167838180 /nfs/dbraw/zinc/83/81/80/1167838180.db2.gz MKMKSFAEFFHYBM-SSDOTTSWSA-N -1 1 312.380 0.046 20 0 DCADMM O=S(=O)(NC[C@H]1CCC=CO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593438758 1167841276 /nfs/dbraw/zinc/84/12/76/1167841276.db2.gz MBHBICCVGSXTNQ-SECBINFHSA-N -1 1 322.350 0.233 20 0 DCADMM O=S(=O)(NC[C@H]1CCC=CO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593438758 1167841289 /nfs/dbraw/zinc/84/12/89/1167841289.db2.gz MBHBICCVGSXTNQ-SECBINFHSA-N -1 1 322.350 0.233 20 0 DCADMM O=c1[n-]c([C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)n[nH]1 ZINC001593497958 1167878923 /nfs/dbraw/zinc/87/89/23/1167878923.db2.gz NZEDWCQFSWQKCS-QMMMGPOBSA-N -1 1 313.325 0.469 20 0 DCADMM OC[C@H](Cc1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001593520476 1167895478 /nfs/dbraw/zinc/89/54/78/1167895478.db2.gz KRESIEKPTHYLBO-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@H](Cc1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001593520476 1167895483 /nfs/dbraw/zinc/89/54/83/1167895483.db2.gz KRESIEKPTHYLBO-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM OCC[C@@H]1CSCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593530862 1167909580 /nfs/dbraw/zinc/90/95/80/1167909580.db2.gz XYLIMTIZCUNEQN-MRVPVSSYSA-N -1 1 312.424 0.623 20 0 DCADMM OCC[C@@H]1CSCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593530862 1167909593 /nfs/dbraw/zinc/90/95/93/1167909593.db2.gz XYLIMTIZCUNEQN-MRVPVSSYSA-N -1 1 312.424 0.623 20 0 DCADMM O[C@@H](CCOCc1ccccc1)Cn1cc(-c2nn[n-]n2)nn1 ZINC001593536363 1167915784 /nfs/dbraw/zinc/91/57/84/1167915784.db2.gz XEWCUUCOJNHVHX-LBPRGKRZSA-N -1 1 315.337 0.426 20 0 DCADMM O[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O ZINC001593538415 1167923890 /nfs/dbraw/zinc/92/38/90/1167923890.db2.gz MPYROTPTZLACFT-ZGQXEFDQSA-N -1 1 302.747 0.273 20 0 DCADMM O[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O ZINC001593538415 1167923892 /nfs/dbraw/zinc/92/38/92/1167923892.db2.gz MPYROTPTZLACFT-ZGQXEFDQSA-N -1 1 302.747 0.273 20 0 DCADMM c1cc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)nc(-c2nn[n-]n2)c1 ZINC001593555086 1167930242 /nfs/dbraw/zinc/93/02/42/1167930242.db2.gz HEDSDISFGCNGCP-UONOGXRCSA-N -1 1 316.365 0.642 20 0 DCADMM c1nncn1CC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001593550023 1167930365 /nfs/dbraw/zinc/93/03/65/1167930365.db2.gz LRXKNJUDWWSHEB-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1nncn1CC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001593550023 1167930381 /nfs/dbraw/zinc/93/03/81/1167930381.db2.gz LRXKNJUDWWSHEB-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1cc(NC[C@H]2CCC3(CCC3)CO2)nc(-c2nn[n-]n2)n1 ZINC001593558451 1167935978 /nfs/dbraw/zinc/93/59/78/1167935978.db2.gz NLSNWVJWQHHDCL-SNVBAGLBSA-N -1 1 301.354 0.840 20 0 DCADMM c1cc(CO[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001593557298 1167937692 /nfs/dbraw/zinc/93/76/92/1167937692.db2.gz NNTYDIMNHUXQJE-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM c1cc(CO[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001593557298 1167937703 /nfs/dbraw/zinc/93/77/03/1167937703.db2.gz NNTYDIMNHUXQJE-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM c1ncn(-c2ccc(CNc3ccnc(-c4nn[n-]n4)n3)cc2)n1 ZINC001593561489 1167942207 /nfs/dbraw/zinc/94/22/07/1167942207.db2.gz SUJAOQWCYNPKFJ-UHFFFAOYSA-N -1 1 320.320 0.271 20 0 DCADMM c1nc(CNc2ccc(-c3nnn[n-]3)nn2)n(-c2ccccc2)n1 ZINC001593570475 1167945086 /nfs/dbraw/zinc/94/50/86/1167945086.db2.gz HDFMCKIMLUOHTQ-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nc(CNc2ccc(-c3nn[n-]n3)nn2)n(-c2ccccc2)n1 ZINC001593570475 1167945096 /nfs/dbraw/zinc/94/50/96/1167945096.db2.gz HDFMCKIMLUOHTQ-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1ccc(-n2nnnc2COc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001593570659 1167945780 /nfs/dbraw/zinc/94/57/80/1167945780.db2.gz JXCWYLXNBQTQGQ-UHFFFAOYSA-N -1 1 322.292 0.211 20 0 DCADMM c1ccc2c(c1)C[C@H](CNc1ccnc(-c3nn[n-]n3)n1)CO2 ZINC001593581555 1167949274 /nfs/dbraw/zinc/94/92/74/1167949274.db2.gz QJMWAFNYURJMER-SNVBAGLBSA-N -1 1 309.333 0.742 20 0 DCADMM c1cnc(N2CCOC[C@H](C3CCC3)C2)c(-c2nnn[n-]2)n1 ZINC001593583977 1167949860 /nfs/dbraw/zinc/94/98/60/1167949860.db2.gz FXLXEOIMRNTPRH-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1cnc(N2CCOC[C@H](C3CCC3)C2)c(-c2nn[n-]n2)n1 ZINC001593583977 1167949866 /nfs/dbraw/zinc/94/98/66/1167949866.db2.gz FXLXEOIMRNTPRH-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1cnc(N2CCCC2)c(CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001593584466 1167952745 /nfs/dbraw/zinc/95/27/45/1167952745.db2.gz XDJBPVNHRLSFRA-UHFFFAOYSA-N -1 1 323.364 0.686 20 0 DCADMM c1ncn(CC2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)n1 ZINC001593590198 1167954816 /nfs/dbraw/zinc/95/48/16/1167954816.db2.gz KAMCRJBANDYIBA-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM c1ncn(CC2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)n1 ZINC001593590198 1167954820 /nfs/dbraw/zinc/95/48/20/1167954820.db2.gz KAMCRJBANDYIBA-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CCOC[C@@H](C3CCC3)C2)n1 ZINC001593591556 1167955327 /nfs/dbraw/zinc/95/53/27/1167955327.db2.gz NDMCLPQJTQBOIU-NSHDSACASA-N -1 1 301.354 0.910 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CCC[C@H]([C@H]3CCOC3)C2)n1 ZINC001593591886 1167955641 /nfs/dbraw/zinc/95/56/41/1167955641.db2.gz RPMOVIHOJGHDRU-QWRGUYRKSA-N -1 1 301.354 0.910 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N[C@H]2CCO[C@]3(CCOC3)C2)n1 ZINC001593594843 1167956842 /nfs/dbraw/zinc/95/68/42/1167956842.db2.gz INCQNLXAOHJDSU-TVQRCGJNSA-N -1 1 303.326 0.407 20 0 DCADMM Cn1nc(-c2cccnc2)cc1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001593862664 1167962543 /nfs/dbraw/zinc/96/25/43/1167962543.db2.gz AWDOJDCFGJUZKW-UHFFFAOYSA-N -1 1 324.348 0.804 20 0 DCADMM COCCN(CCC(=O)[O-])S(=O)(=O)c1cc(O)cc(F)c1 ZINC001594011499 1167963661 /nfs/dbraw/zinc/96/36/61/1167963661.db2.gz JRWLBARZMBCXJQ-UHFFFAOYSA-N -1 1 321.326 0.643 20 0 DCADMM CN(CC(=O)NCCC1=CCCCC1)C(=O)CCc1nn[n-]n1 ZINC001597348695 1168004912 /nfs/dbraw/zinc/00/49/12/1168004912.db2.gz CEPRLVAJFRFSFQ-UHFFFAOYSA-N -1 1 320.397 0.597 20 0 DCADMM COC(=O)[C@]1(O)CCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC001598724529 1168034239 /nfs/dbraw/zinc/03/42/39/1168034239.db2.gz OHYUMUFCTAYVMZ-ZBEGNZNMSA-N -1 1 323.345 0.648 20 0 DCADMM COC(=O)c1ccoc1S(=O)(=O)NCC(C)(C)CC(=O)[O-] ZINC001599004445 1168064111 /nfs/dbraw/zinc/06/41/11/1168064111.db2.gz IRKWHBHQHOLIMY-UHFFFAOYSA-N -1 1 319.335 0.845 20 0 DCADMM Cc1c(NC(=O)C(=O)N2CCNC[C@@H]2C)cccc1C(=O)[O-] ZINC001600025197 1168103613 /nfs/dbraw/zinc/10/36/13/1168103613.db2.gz QMFIREMWXJWTNM-VIFPVBQESA-N -1 1 305.334 0.452 20 0 DCADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc(=O)[nH]1 ZINC001600084400 1168114916 /nfs/dbraw/zinc/11/49/16/1168114916.db2.gz HHXVLKNXTKZTQQ-NSHDSACASA-N -1 1 307.350 0.717 20 0 DCADMM Cc1cc(NC(=O)C(=O)N2C[C@H](C)NC[C@H]2C)ccc1C(=O)[O-] ZINC001600242252 1168145618 /nfs/dbraw/zinc/14/56/18/1168145618.db2.gz ZXMSOXKBCUDRKP-WDEREUQCSA-N -1 1 319.361 0.841 20 0 DCADMM Cc1ccc(C[C@H](NCC(=O)NCC(F)F)C(=O)[O-])cc1 ZINC001600400772 1168178985 /nfs/dbraw/zinc/17/89/85/1168178985.db2.gz DNAHIIPQFLSNCL-NSHDSACASA-N -1 1 300.305 0.962 20 0 DCADMM Cc1ccc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1C(=O)[O-] ZINC001600413354 1168179689 /nfs/dbraw/zinc/17/96/89/1168179689.db2.gz JBDPNPYYWJTQBX-INIZCTEOSA-N -1 1 317.345 0.867 20 0 DCADMM Cc1ccc2nc(CNC(=O)NCCOCC(=O)[O-])[nH]c2c1 ZINC001600488578 1168192097 /nfs/dbraw/zinc/19/20/97/1168192097.db2.gz ADDNCERMHZVOPE-UHFFFAOYSA-N -1 1 306.322 0.772 20 0 DCADMM Cc1ccncc1C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001600603215 1168209195 /nfs/dbraw/zinc/20/91/95/1168209195.db2.gz DQEQUBAXRVTWGO-UHFFFAOYSA-N -1 1 320.393 0.164 20 0 DCADMM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](CO)CN1CCCCC1 ZINC001600641273 1168225057 /nfs/dbraw/zinc/22/50/57/1168225057.db2.gz VCEPZKNFSFNLQM-LBPRGKRZSA-N -1 1 324.377 0.792 20 0 DCADMM Cc1csc2nc(CN3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)cc(=O)n12 ZINC001600665104 1168235224 /nfs/dbraw/zinc/23/52/24/1168235224.db2.gz KPNZSSVGRUSUEG-IAZYJMLFSA-N -1 1 305.359 0.827 20 0 DCADMM Cc1nnc(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)[nH]1 ZINC001600671599 1168240695 /nfs/dbraw/zinc/24/06/95/1168240695.db2.gz OQMGUNUEXAYOQO-UHFFFAOYSA-N -1 1 300.278 0.869 20 0 DCADMM Cc1nnc(CN2CCN(C[C@H]3[C@@H](C(=O)[O-])C3(F)F)CC2)[nH]1 ZINC001600701167 1168256243 /nfs/dbraw/zinc/25/62/43/1168256243.db2.gz QALIWHJFAWZROM-ONGXEEELSA-N -1 1 315.324 0.197 20 0 DCADMM Cc1nn2cccnc2c1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600791108 1168298067 /nfs/dbraw/zinc/29/80/67/1168298067.db2.gz XSPOIPVXQQPKID-SNVBAGLBSA-N -1 1 314.305 0.187 20 0 DCADMM Cc1nnc(SCCC(=O)N[C@]2(CC(=O)[O-])CCOC2)[nH]1 ZINC001600799433 1168299746 /nfs/dbraw/zinc/29/97/46/1168299746.db2.gz PTSLYEMBMJXILL-LBPRGKRZSA-N -1 1 314.367 0.345 20 0 DCADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCN1CC[C@@H](C)C1 ZINC001600835293 1168479014 /nfs/dbraw/zinc/47/90/14/1168479014.db2.gz RANNKZFBRUMRHK-SECBINFHSA-N -1 1 316.379 0.906 20 0 DCADMM Cc1oc(C)c(S(=O)(=O)N2C[C@@H](C)NC[C@H]2C)c1C(=O)[O-] ZINC001600837755 1168481134 /nfs/dbraw/zinc/48/11/34/1168481134.db2.gz YLYYPUVOTMAROL-HTQZYQBOSA-N -1 1 316.379 0.966 20 0 DCADMM Cc1oc(C)c(S(=O)(=O)N2C[C@H](C)NC[C@H]2C)c1C(=O)[O-] ZINC001600837756 1168481364 /nfs/dbraw/zinc/48/13/64/1168481364.db2.gz YLYYPUVOTMAROL-JGVFFNPUSA-N -1 1 316.379 0.966 20 0 DCADMM Cn1cc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001600954896 1168530996 /nfs/dbraw/zinc/53/09/96/1168530996.db2.gz OVWXTPNSXWUMGG-WFFHOREQSA-N -1 1 321.381 0.053 20 0 DCADMM Cn1cc(N2CCC[C@H](NCc3cc(C(=O)[O-])no3)C2)cn1 ZINC001600958436 1168532135 /nfs/dbraw/zinc/53/21/35/1168532135.db2.gz KVPLRELUOAZZGP-JTQLQIEISA-N -1 1 305.338 0.865 20 0 DCADMM Cn1ccnc1CNCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCCC1 ZINC001600986448 1168545886 /nfs/dbraw/zinc/54/58/86/1168545886.db2.gz DAUBWIKDMGNDAG-NWDGAFQWSA-N -1 1 320.393 0.659 20 0 DCADMM Cn1nc(Br)cc1C[N@@H+](CCC(=O)[O-])CC(=O)[O-] ZINC001600999117 1168554611 /nfs/dbraw/zinc/55/46/11/1168554611.db2.gz OZWRQBHFWVHUOE-UHFFFAOYSA-N -1 1 320.143 0.544 20 0 DCADMM Cn1nc(C2CC2)cc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001601013083 1168561924 /nfs/dbraw/zinc/56/19/24/1168561924.db2.gz LVLVRBSTRKBRTP-LLVKDONJSA-N -1 1 303.322 0.446 20 0 DCADMM Cn1ncc(C(=O)[O-])c1NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC001601023735 1168568172 /nfs/dbraw/zinc/56/81/72/1168568172.db2.gz JIIFFHFPCPFQHJ-UHFFFAOYSA-N -1 1 321.341 0.856 20 0 DCADMM NC(=O)c1ccc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)o1 ZINC001601164508 1168616487 /nfs/dbraw/zinc/61/64/87/1168616487.db2.gz GVNQSHDHIZFPJA-UHFFFAOYSA-N -1 1 324.318 0.890 20 0 DCADMM NC(=O)c1ccc(C(=O)Nc2nnc(CCC(=O)[O-])s2)o1 ZINC001601164495 1168616638 /nfs/dbraw/zinc/61/66/38/1168616638.db2.gz GLMNDAXGAAPYAH-UHFFFAOYSA-N -1 1 310.291 0.500 20 0 DCADMM Nc1nc(Cl)ccc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001601220536 1168663167 /nfs/dbraw/zinc/66/31/67/1168663167.db2.gz YUGOUYBMAMYUCJ-QMMMGPOBSA-N -1 1 309.713 0.466 20 0 DCADMM O=C([O-])[C@H]1C[C@H](O)CN(CC(=O)NC2CCCCCCC2)C1 ZINC001601306874 1168699391 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C[C@@H](O)[C@H]1CCN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001603695346 1169359134 /nfs/dbraw/zinc/35/91/34/1169359134.db2.gz KTSDFIURVNLASP-SFYZADRCSA-N -1 1 323.303 0.988 20 0 DCADMM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCNC(=O)C1 ZINC001603702963 1169367521 /nfs/dbraw/zinc/36/75/21/1169367521.db2.gz MLGKJWSVMWUWFF-RKDXNWHRSA-N -1 1 316.321 0.333 20 0 DCADMM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCNC(=O)C1 ZINC001603702963 1169367530 /nfs/dbraw/zinc/36/75/30/1169367530.db2.gz MLGKJWSVMWUWFF-RKDXNWHRSA-N -1 1 316.321 0.333 20 0 DCADMM C[C@H](Sc1cccc(F)c1-c1nn[n-]n1)C(=O)NC(N)=O ZINC001603720665 1169371011 /nfs/dbraw/zinc/37/10/11/1169371011.db2.gz QZAXFDRUSBLGEY-YFKPBYRVSA-N -1 1 310.314 0.681 20 0 DCADMM C[C@@H](c1nnc([C@H]2CCCCO2)o1)n1cnc(-c2nn[n-]n2)n1 ZINC001603736554 1169374061 /nfs/dbraw/zinc/37/40/61/1169374061.db2.gz OHYVWNKRDBPEKL-JGVFFNPUSA-N -1 1 317.313 0.692 20 0 DCADMM C[C@H](c1ccccc1)[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603734324 1169375243 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CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H]2COC[C@@H]21 ZINC001603782517 1169389370 /nfs/dbraw/zinc/38/93/70/1169389370.db2.gz NKDPORCLXIUSKZ-DTWKUNHWSA-N -1 1 303.322 0.957 20 0 DCADMM CC1(C)CNC(=O)[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603789297 1169391170 /nfs/dbraw/zinc/39/11/70/1169391170.db2.gz KHQGAOYZSQXMJI-MRVPVSSYSA-N -1 1 306.351 0.183 20 0 DCADMM CC1(C)CNC(=O)[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603789297 1169391176 /nfs/dbraw/zinc/39/11/76/1169391176.db2.gz KHQGAOYZSQXMJI-MRVPVSSYSA-N -1 1 306.351 0.183 20 0 DCADMM C[C@@]1(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC=CCC1 ZINC001603813122 1169399566 /nfs/dbraw/zinc/39/95/66/1169399566.db2.gz ALVHNOJCUDKMNJ-CYBMUJFWSA-N -1 1 317.357 0.256 20 0 DCADMM CC(C)Cn1[nH]c(CC(=O)N[C@H](CCF)C(=O)[O-])cc1=O ZINC001603853419 1169411576 /nfs/dbraw/zinc/41/15/76/1169411576.db2.gz OXDVGGXXTLJXLK-SNVBAGLBSA-N -1 1 301.318 0.304 20 0 DCADMM C[C@H]1C[C@@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001603851303 1169413177 /nfs/dbraw/zinc/41/31/77/1169413177.db2.gz XJQNBYLEPJYUEC-JQWIXIFHSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@H]1C[C@@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001603851303 1169413179 /nfs/dbraw/zinc/41/31/79/1169413179.db2.gz XJQNBYLEPJYUEC-JQWIXIFHSA-N -1 1 316.365 0.736 20 0 DCADMM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@H](O)CC1(O)CCOCC1 ZINC001603917928 1169435164 /nfs/dbraw/zinc/43/51/64/1169435164.db2.gz VOTYJTAGGONMGI-CHWSQXEVSA-N -1 1 319.398 0.089 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@@H](C)C1O ZINC001603924845 1169437486 /nfs/dbraw/zinc/43/74/86/1169437486.db2.gz PZBPHEJEIUUMEG-RKDXNWHRSA-N -1 1 317.353 0.742 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@@H](C)C1O ZINC001603924845 1169437499 /nfs/dbraw/zinc/43/74/99/1169437499.db2.gz PZBPHEJEIUUMEG-RKDXNWHRSA-N -1 1 317.353 0.742 20 0 DCADMM C[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)C[C@H](C)S1 ZINC001603936084 1169441433 /nfs/dbraw/zinc/44/14/33/1169441433.db2.gz MRQBSLXCMPTRRV-AOOOYVTPSA-N -1 1 306.395 0.812 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@@H](C)S1=O ZINC001603932653 1169442024 /nfs/dbraw/zinc/44/20/24/1169442024.db2.gz WUYLUYAAYKKLSA-RKDXNWHRSA-N -1 1 320.378 0.243 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@@H](C)S1=O ZINC001603932653 1169442028 /nfs/dbraw/zinc/44/20/28/1169442028.db2.gz WUYLUYAAYKKLSA-RKDXNWHRSA-N -1 1 320.378 0.243 20 0 DCADMM C[C@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@H](C)S1(=O)=O ZINC001603940330 1169446020 /nfs/dbraw/zinc/44/60/20/1169446020.db2.gz HAIWKWOWBUOELA-IUCAKERBSA-N -1 1 308.367 0.274 20 0 DCADMM C[C@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@H](C)S1(=O)=O ZINC001603940330 1169446022 /nfs/dbraw/zinc/44/60/22/1169446022.db2.gz HAIWKWOWBUOELA-IUCAKERBSA-N -1 1 308.367 0.274 20 0 DCADMM C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001603950143 1169449260 /nfs/dbraw/zinc/44/92/60/1169449260.db2.gz ZUBXXYDVNXPDMS-SVRRBLITSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001603950143 1169449262 /nfs/dbraw/zinc/44/92/62/1169449262.db2.gz ZUBXXYDVNXPDMS-SVRRBLITSA-N -1 1 315.259 0.813 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001603963034 1169453914 /nfs/dbraw/zinc/45/39/14/1169453914.db2.gz PEZDXOIXTOFNPF-IUNRCPQZSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001603963034 1169453916 /nfs/dbraw/zinc/45/39/16/1169453916.db2.gz PEZDXOIXTOFNPF-IUNRCPQZSA-N -1 1 314.353 0.682 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001603994254 1169464677 /nfs/dbraw/zinc/46/46/77/1169464677.db2.gz AKZMAGNMTDBETF-BDAKNGLRSA-N -1 1 304.358 0.041 20 0 DCADMM CC[C@@H](C)C[C@@H](CO)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604000924 1169467612 /nfs/dbraw/zinc/46/76/12/1169467612.db2.gz PPQKTJGRFZSYPQ-KOLCDFICSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@@H](C)C[C@@H](CO)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604000924 1169467616 /nfs/dbraw/zinc/46/76/16/1169467616.db2.gz PPQKTJGRFZSYPQ-KOLCDFICSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001603995663 1169468045 /nfs/dbraw/zinc/46/80/45/1169468045.db2.gz PUUOVXHMWGOFGQ-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001603995663 1169468051 /nfs/dbraw/zinc/46/80/51/1169468051.db2.gz PUUOVXHMWGOFGQ-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)OC ZINC001603998194 1169468280 /nfs/dbraw/zinc/46/82/80/1169468280.db2.gz COVGBKSAIRMNSM-XCBNKYQSSA-N -1 1 307.310 0.777 20 0 DCADMM CC[C@@H](C)[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)OC ZINC001603998194 1169468283 /nfs/dbraw/zinc/46/82/83/1169468283.db2.gz COVGBKSAIRMNSM-XCBNKYQSSA-N -1 1 307.310 0.777 20 0 DCADMM CC(C)n1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001604036820 1169475976 /nfs/dbraw/zinc/47/59/76/1169475976.db2.gz YFZMCHVLAVNPNN-XUXIUFHCSA-N -1 1 320.393 0.922 20 0 DCADMM CC(C)n1nccc1CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001604047823 1169479231 /nfs/dbraw/zinc/47/92/31/1169479231.db2.gz COBCROKPWVGPIM-INIZCTEOSA-N -1 1 322.409 0.825 20 0 DCADMM CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)[C@@H](O)C(F)F ZINC001604048468 1169480576 /nfs/dbraw/zinc/48/05/76/1169480576.db2.gz CMNGVXYLVATKSL-IONNQARKSA-N -1 1 315.280 0.903 20 0 DCADMM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)[C@@H](O)C(F)F ZINC001604048468 1169480578 /nfs/dbraw/zinc/48/05/78/1169480578.db2.gz CMNGVXYLVATKSL-IONNQARKSA-N -1 1 315.280 0.903 20 0 DCADMM CC[C@]1(CO)CCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001604086234 1169487570 /nfs/dbraw/zinc/48/75/70/1169487570.db2.gz IFKUPGITZMTJNO-CQSZACIVSA-N -1 1 320.353 0.469 20 0 DCADMM CC[C@]1(CO)CCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001604086234 1169487577 /nfs/dbraw/zinc/48/75/77/1169487577.db2.gz IFKUPGITZMTJNO-CQSZACIVSA-N -1 1 320.353 0.469 20 0 DCADMM CC[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@H](C)S1(=O)=O ZINC001604112209 1169495634 /nfs/dbraw/zinc/49/56/34/1169495634.db2.gz SJDGYOXKOGCRPT-DTWKUNHWSA-N -1 1 323.382 0.059 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001604126153 1169500232 /nfs/dbraw/zinc/50/02/32/1169500232.db2.gz DOGKPWMIMGETNA-SECBINFHSA-N -1 1 304.358 0.398 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001604126153 1169500238 /nfs/dbraw/zinc/50/02/38/1169500238.db2.gz DOGKPWMIMGETNA-SECBINFHSA-N -1 1 304.358 0.398 20 0 DCADMM CCC/C=C/[C@H](O)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604157080 1169507991 /nfs/dbraw/zinc/50/79/91/1169507991.db2.gz UGSMSIMHPQMEQE-MOVJSRMASA-N -1 1 308.367 0.657 20 0 DCADMM CCC/C=C/[C@H](O)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604157080 1169507994 /nfs/dbraw/zinc/50/79/94/1169507994.db2.gz UGSMSIMHPQMEQE-MOVJSRMASA-N -1 1 308.367 0.657 20 0 DCADMM C[C@H](CN1CCOCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001604167735 1169511056 /nfs/dbraw/zinc/51/10/56/1169511056.db2.gz QYGDSIAQMXKMFD-OCCSQVGLSA-N -1 1 321.377 0.162 20 0 DCADMM C[C@@](CO)(NCc1nc2ccc(Cl)cc2c(=O)[nH]1)C(=O)[O-] ZINC001604195647 1169520150 /nfs/dbraw/zinc/52/01/50/1169520150.db2.gz 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ZINC001604380389 1169576217 /nfs/dbraw/zinc/57/62/17/1169576217.db2.gz YTGWJDIEKMMGBJ-UHFFFAOYSA-N -1 1 317.353 0.849 20 0 DCADMM CCOC(=O)N1CCN(c2cc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001604380389 1169576221 /nfs/dbraw/zinc/57/62/21/1169576221.db2.gz YTGWJDIEKMMGBJ-UHFFFAOYSA-N -1 1 317.353 0.849 20 0 DCADMM CCOC(=O)NCCOC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604379843 1169576676 /nfs/dbraw/zinc/57/66/76/1169576676.db2.gz HUXWJNZQBIJPQU-UHFFFAOYSA-N -1 1 320.309 0.094 20 0 DCADMM CCOC(=O)NCCOC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604379843 1169576687 /nfs/dbraw/zinc/57/66/87/1169576687.db2.gz HUXWJNZQBIJPQU-UHFFFAOYSA-N -1 1 320.309 0.094 20 0 DCADMM CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001604413401 1169586786 /nfs/dbraw/zinc/58/67/86/1169586786.db2.gz FPLDPLGZEPOKSX-ZYHUDNBSSA-N -1 1 318.337 0.186 20 0 DCADMM CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001604413401 1169586799 /nfs/dbraw/zinc/58/67/99/1169586799.db2.gz FPLDPLGZEPOKSX-ZYHUDNBSSA-N -1 1 318.337 0.186 20 0 DCADMM 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1169925884 /nfs/dbraw/zinc/92/58/84/1169925884.db2.gz HYJBIVMUAFQEBV-OAHLLOKOSA-N -1 1 320.389 0.993 20 0 DCADMM C[C@@]12COC[C@]1(C)CN(C(=O)c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001605451835 1169926012 /nfs/dbraw/zinc/92/60/12/1169926012.db2.gz ZETZMXOVBZDPQK-GASCZTMLSA-N -1 1 314.349 0.760 20 0 DCADMM C[C@@]12COC[C@]1(C)CN(C(=O)c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001605451835 1169926017 /nfs/dbraw/zinc/92/60/17/1169926017.db2.gz ZETZMXOVBZDPQK-GASCZTMLSA-N -1 1 314.349 0.760 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CC[C@@H]2CCCO2)nn1C ZINC001605464962 1169929928 /nfs/dbraw/zinc/92/99/28/1169929928.db2.gz FGNVJTYFIVIPKJ-VIFPVBQESA-N -1 1 305.342 0.806 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CC[C@@H]2CCCO2)nn1C ZINC001605464962 1169929930 /nfs/dbraw/zinc/92/99/30/1169929930.db2.gz FGNVJTYFIVIPKJ-VIFPVBQESA-N -1 1 305.342 0.806 20 0 DCADMM CCNc1cccnc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001605502832 1169939999 /nfs/dbraw/zinc/93/99/99/1169939999.db2.gz NLGWLTHZCZLWOB-NSHDSACASA-N -1 1 303.322 0.662 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)CC(C)(C)CO ZINC001605505072 1169942070 /nfs/dbraw/zinc/94/20/70/1169942070.db2.gz WGLNRLLPPZMJPX-UHFFFAOYSA-N -1 1 320.353 0.366 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC(C)(O)CC1 ZINC001605507182 1169942264 /nfs/dbraw/zinc/94/22/64/1169942264.db2.gz VHZOXTZYMLGNHX-UHFFFAOYSA-N -1 1 318.337 0.263 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2nccn2CC(F)F)c1 ZINC001605511113 1169945357 /nfs/dbraw/zinc/94/53/57/1169945357.db2.gz XCPYXFZUTMTQTR-UHFFFAOYSA-N -1 1 321.291 0.847 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CCC(N)=O)CC2)n1 ZINC001605559513 1169960607 /nfs/dbraw/zinc/96/06/07/1169960607.db2.gz BRKQKBQHBXIAJI-UHFFFAOYSA-N -1 1 316.369 0.447 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CCC(N)=O)CC2)n1 ZINC001605559513 1169960611 /nfs/dbraw/zinc/96/06/11/1169960611.db2.gz BRKQKBQHBXIAJI-UHFFFAOYSA-N -1 1 316.369 0.447 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](CO)C[C@@H]2CCCO2)n1 ZINC001605568392 1169963076 /nfs/dbraw/zinc/96/30/76/1169963076.db2.gz JPVNHRODQYBMKE-UWVGGRQHSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](CO)C[C@@H]2CCCO2)n1 ZINC001605568392 1169963082 /nfs/dbraw/zinc/96/30/82/1169963082.db2.gz JPVNHRODQYBMKE-UWVGGRQHSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1ccc(C[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001605842188 1170010343 /nfs/dbraw/zinc/01/03/43/1170010343.db2.gz RAHCVRWHRLVIES-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccc(C[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001605842188 1170010350 /nfs/dbraw/zinc/01/03/50/1170010350.db2.gz RAHCVRWHRLVIES-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccc(N2CCC(C(=O)N(C)C)CC2)c(-c2nnn[n-]2)n1 ZINC001605864426 1170016151 /nfs/dbraw/zinc/01/61/51/1170016151.db2.gz CREJSOLAHHNJOC-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM Cc1ccc(N2CCC(C(=O)N(C)C)CC2)c(-c2nn[n-]n2)n1 ZINC001605864426 1170016155 /nfs/dbraw/zinc/01/61/55/1170016155.db2.gz CREJSOLAHHNJOC-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM CCc1nocc1C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001605880020 1170019110 /nfs/dbraw/zinc/01/91/10/1170019110.db2.gz AANPGDQSRZRBND-UHFFFAOYSA-N -1 1 324.381 0.011 20 0 DCADMM Cc1ccc(N[C@H]2CS(=O)(=O)C[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001605875604 1170019231 /nfs/dbraw/zinc/01/92/31/1170019231.db2.gz RTXKEVGSDNQPDR-XCBNKYQSSA-N -1 1 308.367 0.415 20 0 DCADMM Cc1ccc(N[C@H]2CS(=O)(=O)C[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001605875604 1170019238 /nfs/dbraw/zinc/01/92/38/1170019238.db2.gz RTXKEVGSDNQPDR-XCBNKYQSSA-N -1 1 308.367 0.415 20 0 DCADMM CN(C(=O)c1ccc(NS(C)(=O)=O)nc1)C(C)(C)C(=O)[O-] ZINC001605981634 1170040203 /nfs/dbraw/zinc/04/02/03/1170040203.db2.gz JIWWBWVSPBSEHP-UHFFFAOYSA-N -1 1 315.351 0.388 20 0 DCADMM CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1cnc(C(=O)[O-])cn1 ZINC001605995020 1170044338 /nfs/dbraw/zinc/04/43/38/1170044338.db2.gz RWNJEJTWUDAMAR-LBPRGKRZSA-N -1 1 321.381 0.529 20 0 DCADMM Cc1nc2n(n1)CCN(C(=O)c1ccc(-c3nnn[n-]3)o1)C2 ZINC001606083986 1170072531 /nfs/dbraw/zinc/07/25/31/1170072531.db2.gz SCCUYPBLQNYLKY-UHFFFAOYSA-N -1 1 300.282 0.016 20 0 DCADMM Cc1nc2n(n1)CCN(C(=O)c1ccc(-c3nn[n-]n3)o1)C2 ZINC001606083986 1170072540 /nfs/dbraw/zinc/07/25/40/1170072540.db2.gz SCCUYPBLQNYLKY-UHFFFAOYSA-N -1 1 300.282 0.016 20 0 DCADMM Cc1ncc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C(N)=O ZINC001606091947 1170073978 /nfs/dbraw/zinc/07/39/78/1170073978.db2.gz KNHUPKKDPWCFIV-UHFFFAOYSA-N -1 1 324.304 0.316 20 0 DCADMM Cc1ncc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C(N)=O ZINC001606091947 1170073984 /nfs/dbraw/zinc/07/39/84/1170073984.db2.gz KNHUPKKDPWCFIV-UHFFFAOYSA-N -1 1 324.304 0.316 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001606119551 1170080699 /nfs/dbraw/zinc/08/06/99/1170080699.db2.gz HOUDXOQAQUZYLN-LURJTMIESA-N -1 1 315.297 0.836 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001606119551 1170080706 /nfs/dbraw/zinc/08/07/06/1170080706.db2.gz HOUDXOQAQUZYLN-LURJTMIESA-N -1 1 315.297 0.836 20 0 DCADMM Cc1nn(CC(=O)NC2CCCC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114915 1170081277 /nfs/dbraw/zinc/08/12/77/1170081277.db2.gz AWGXZMUVJZWMBT-UHFFFAOYSA-N -1 1 317.353 0.099 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2cccc(-c3nnn[n-]3)n2)s1 ZINC001606117995 1170081655 /nfs/dbraw/zinc/08/16/55/1170081655.db2.gz AYCAAALUPJSAMC-UHFFFAOYSA-N -1 1 316.350 0.694 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2cccc(-c3nn[n-]n3)n2)s1 ZINC001606117995 1170081659 /nfs/dbraw/zinc/08/16/59/1170081659.db2.gz AYCAAALUPJSAMC-UHFFFAOYSA-N -1 1 316.350 0.694 20 0 DCADMM CN(CCN1CCCCC1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001606126908 1170086521 /nfs/dbraw/zinc/08/65/21/1170086521.db2.gz DJPLEMXRCBJIAB-OLZOCXBDSA-N -1 1 318.439 0.987 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ncccc1CO ZINC001606168952 1170100650 /nfs/dbraw/zinc/10/06/50/1170100650.db2.gz CEBBJCVNKJSRNR-UHFFFAOYSA-N -1 1 300.278 0.908 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ncccc1CO ZINC001606168952 1170100652 /nfs/dbraw/zinc/10/06/52/1170100652.db2.gz CEBBJCVNKJSRNR-UHFFFAOYSA-N -1 1 300.278 0.908 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@](C)(O)C(F)(F)F ZINC001606167517 1170100990 /nfs/dbraw/zinc/10/09/90/1170100990.db2.gz OJDNZWHMPJRGRA-SNVBAGLBSA-N -1 1 319.243 0.811 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@](C)(O)C(F)(F)F ZINC001606167517 1170100993 /nfs/dbraw/zinc/10/09/93/1170100993.db2.gz OJDNZWHMPJRGRA-SNVBAGLBSA-N -1 1 319.243 0.811 20 0 DCADMM Cc1onc(CC(=O)NC[C@@]2(O)CCC[C@H]2C)c1-c1nnn[n-]1 ZINC001606180210 1170104536 /nfs/dbraw/zinc/10/45/36/1170104536.db2.gz KAXCIJNXPBTEJC-CLAHSXSESA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)NC[C@@]2(O)CCC[C@H]2C)c1-c1nn[n-]n1 ZINC001606180210 1170104540 /nfs/dbraw/zinc/10/45/40/1170104540.db2.gz KAXCIJNXPBTEJC-CLAHSXSESA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)N2CCC(=O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC001606178853 1170104701 /nfs/dbraw/zinc/10/47/01/1170104701.db2.gz YDWMPBJGSKNNGK-SSDOTTSWSA-N -1 1 304.310 0.143 20 0 DCADMM Cc1onc(CC(=O)N2CCC(=O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC001606178853 1170104703 /nfs/dbraw/zinc/10/47/03/1170104703.db2.gz YDWMPBJGSKNNGK-SSDOTTSWSA-N -1 1 304.310 0.143 20 0 DCADMM Clc1nc(NCc2nnnn2C2CC2)sc1-c1nnn[n-]1 ZINC001606199378 1170109519 /nfs/dbraw/zinc/10/95/19/1170109519.db2.gz GKOVTFXBQREIRN-UHFFFAOYSA-N -1 1 324.761 0.910 20 0 DCADMM Clc1nc(NCc2nnnn2C2CC2)sc1-c1nn[n-]n1 ZINC001606199378 1170109521 /nfs/dbraw/zinc/10/95/21/1170109521.db2.gz GKOVTFXBQREIRN-UHFFFAOYSA-N -1 1 324.761 0.910 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccn(CC(F)F)n2)n1 ZINC001606222327 1170121269 /nfs/dbraw/zinc/12/12/69/1170121269.db2.gz BQMAFDVCSUYIEN-UHFFFAOYSA-N -1 1 323.267 0.314 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccn(CC(F)F)n2)n1 ZINC001606222327 1170121270 /nfs/dbraw/zinc/12/12/70/1170121270.db2.gz BQMAFDVCSUYIEN-UHFFFAOYSA-N -1 1 323.267 0.314 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2csc(Cl)n2)n1 ZINC001606222432 1170121565 /nfs/dbraw/zinc/12/15/65/1170121565.db2.gz GICRGAOSUWFNPN-UHFFFAOYSA-N -1 1 310.730 0.962 20 0 DCADMM CN1CCC[C@@H]1c1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)[nH]n1 ZINC001606227016 1170124807 /nfs/dbraw/zinc/12/48/07/1170124807.db2.gz NNJGPKHDJRVAPW-GXFFZTMASA-N -1 1 322.365 0.492 20 0 DCADMM CN1CCN(C(=O)C(F)(F)C2(O)CCC2)C[C@H](C(=O)[O-])C1 ZINC001606228300 1170126562 /nfs/dbraw/zinc/12/65/62/1170126562.db2.gz FTVIDGCBFLHZEJ-SECBINFHSA-N -1 1 306.309 0.012 20 0 DCADMM CN1CCN(C(=O)c2cnn(C3CCC3)c2)C[C@H](C(=O)[O-])C1 ZINC001606235851 1170131218 /nfs/dbraw/zinc/13/12/18/1170131218.db2.gz OTGONSGKJSSHGR-GFCCVEGCSA-N -1 1 306.366 0.697 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001606241019 1170132030 /nfs/dbraw/zinc/13/20/30/1170132030.db2.gz JLACWEPLWXPPNF-RBSFLKMASA-N -1 1 323.437 0.583 20 0 DCADMM C[N@H+]1CCN(CC(=O)[N-]OCc2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001606239250 1170132102 /nfs/dbraw/zinc/13/21/02/1170132102.db2.gz LZFHBUWPQRCUDI-AWEZNQCLSA-N -1 1 321.377 0.183 20 0 DCADMM CN1CC[N@H+](CC(=O)[N-]OCc2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001606239250 1170132106 /nfs/dbraw/zinc/13/21/06/1170132106.db2.gz LZFHBUWPQRCUDI-AWEZNQCLSA-N -1 1 321.377 0.183 20 0 DCADMM CN1CC[N@@H+](CC(=O)[N-]OCc2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001606239250 1170132110 /nfs/dbraw/zinc/13/21/10/1170132110.db2.gz LZFHBUWPQRCUDI-AWEZNQCLSA-N -1 1 321.377 0.183 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])Cc2ccncc2F)CC1 ZINC001606241804 1170134454 /nfs/dbraw/zinc/13/44/54/1170134454.db2.gz QWZJVXDRIQRQLZ-UHFFFAOYSA-N -1 1 310.373 0.355 20 0 DCADMM CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001606277879 1170145567 /nfs/dbraw/zinc/14/55/67/1170145567.db2.gz HEWSTVLFSXADGT-BZNIZROVSA-N -1 1 319.361 0.559 20 0 DCADMM Cn1nccc1CCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001606282370 1170148497 /nfs/dbraw/zinc/14/84/97/1170148497.db2.gz VRUMFNPRTPOHLJ-UHFFFAOYSA-N -1 1 315.312 0.712 20 0 DCADMM Cn1nccc1CCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001606282370 1170148500 /nfs/dbraw/zinc/14/85/00/1170148500.db2.gz VRUMFNPRTPOHLJ-UHFFFAOYSA-N -1 1 315.312 0.712 20 0 DCADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1Cc1n[nH]c(C(C)(C)C)n1 ZINC001606374587 1170173663 /nfs/dbraw/zinc/17/36/63/1170173663.db2.gz GPKWOXKYRQXWSV-UWVGGRQHSA-N -1 1 324.381 0.940 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H](C(=O)[O-])C1 ZINC001606402341 1170185915 /nfs/dbraw/zinc/18/59/15/1170185915.db2.gz CFVRSMVTDURGAR-ONGXEEELSA-N -1 1 309.322 0.207 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)[C@H](N)c2ccccc2C)C[C@@H]1C(=O)[O-] ZINC001606414969 1170191004 /nfs/dbraw/zinc/19/10/04/1170191004.db2.gz APFPTMATQHYVIL-YNEHKIRRSA-N -1 1 320.345 0.327 20 0 DCADMM COC(=O)[C@H]1CN(Cc2c(C)nn(C)c2Cl)C[C@H]1C(=O)[O-] ZINC001606428122 1170197319 /nfs/dbraw/zinc/19/73/19/1170197319.db2.gz BJKMKPUKOMHMAY-ZJUUUORDSA-N -1 1 315.757 0.688 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCOCC(F)(F)F ZINC001606446226 1170206003 /nfs/dbraw/zinc/20/60/03/1170206003.db2.gz JKTLZEXKOGCNRX-UHFFFAOYSA-N -1 1 305.220 0.255 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(-c2cnco2)cc1 ZINC001606446284 1170206328 /nfs/dbraw/zinc/20/63/28/1170206328.db2.gz LSZMMLUNEPBYLE-UHFFFAOYSA-N -1 1 322.288 0.989 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(Cl)cc(F)c1N ZINC001606449554 1170207376 /nfs/dbraw/zinc/20/73/76/1170207376.db2.gz OGMXNNUUBHNUIA-UHFFFAOYSA-N -1 1 322.691 0.709 20 0 DCADMM Nc1nc(Cl)cc(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001606455087 1170211402 /nfs/dbraw/zinc/21/14/02/1170211402.db2.gz IFYWYRHXICFUGT-UHFFFAOYSA-N -1 1 303.717 0.899 20 0 DCADMM Nc1nc(Cl)cc(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001606455087 1170211394 /nfs/dbraw/zinc/21/13/94/1170211394.db2.gz IFYWYRHXICFUGT-UHFFFAOYSA-N -1 1 303.717 0.899 20 0 DCADMM COC(=O)CCN1CCN(Cc2ccc(C(=O)[O-])cn2)[C@H](C)C1 ZINC001606454851 1170212155 /nfs/dbraw/zinc/21/21/55/1170212155.db2.gz ONIHBQHOTISJBM-GFCCVEGCSA-N -1 1 321.377 0.849 20 0 DCADMM COC(=O)Cc1occc1C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001606483625 1170219065 /nfs/dbraw/zinc/21/90/65/1170219065.db2.gz JIXLXMWJVJIHGX-SNVBAGLBSA-N -1 1 324.333 0.084 20 0 DCADMM O=C(CCc1cnccn1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606536253 1170230251 /nfs/dbraw/zinc/23/02/51/1170230251.db2.gz WDIWDQWGRPCKSQ-UHFFFAOYSA-N -1 1 311.305 0.934 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@H]1CC[C@H](O)C1 ZINC001606594783 1170238318 /nfs/dbraw/zinc/23/83/18/1170238318.db2.gz MDVPUNQPTLZWJZ-ONGXEEELSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@H]1CC[C@H](O)C1 ZINC001606594783 1170238321 /nfs/dbraw/zinc/23/83/21/1170238321.db2.gz MDVPUNQPTLZWJZ-ONGXEEELSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC1(O)CCCC1 ZINC001606596208 1170240725 /nfs/dbraw/zinc/24/07/25/1170240725.db2.gz BRHKBWVMAVOKEP-UHFFFAOYSA-N -1 1 303.322 0.653 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC1(O)CCCC1 ZINC001606596208 1170240732 /nfs/dbraw/zinc/24/07/32/1170240732.db2.gz BRHKBWVMAVOKEP-UHFFFAOYSA-N -1 1 303.322 0.653 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cnn(CCF)c1 ZINC001606596239 1170241080 /nfs/dbraw/zinc/24/10/80/1170241080.db2.gz DFLYCRAVUJLBCV-UHFFFAOYSA-N -1 1 316.300 0.609 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cnn(CCF)c1 ZINC001606596239 1170241084 /nfs/dbraw/zinc/24/10/84/1170241084.db2.gz DFLYCRAVUJLBCV-UHFFFAOYSA-N -1 1 316.300 0.609 20 0 DCADMM O=C(Cc1ccccc1CO)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001606604352 1170241827 /nfs/dbraw/zinc/24/18/27/1170241827.db2.gz QIZZEZBWEUOXAT-UHFFFAOYSA-N -1 1 324.344 0.613 20 0 DCADMM O=C(Cc1ccccc1CO)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001606604352 1170241834 /nfs/dbraw/zinc/24/18/34/1170241834.db2.gz QIZZEZBWEUOXAT-UHFFFAOYSA-N -1 1 324.344 0.613 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)ccc1=O)N1CCCCCC1 ZINC001606617345 1170242966 /nfs/dbraw/zinc/24/29/66/1170242966.db2.gz JBGPRMXAUGSJTD-UHFFFAOYSA-N -1 1 302.338 0.431 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)ccc1=O)[C@H]1Cc2ccccc21 ZINC001606617303 1170243503 /nfs/dbraw/zinc/24/35/03/1170243503.db2.gz HIHYBTIXALRDFX-ZDUSSCGKSA-N -1 1 307.313 0.937 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)NCCC1=CCCCC1 ZINC001606617076 1170244416 /nfs/dbraw/zinc/24/44/16/1170244416.db2.gz BIZYQQZICHCWDW-UHFFFAOYSA-N -1 1 302.342 0.465 20 0 DCADMM O=C(NC(CF)CF)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606632779 1170248161 /nfs/dbraw/zinc/24/81/61/1170248161.db2.gz HTPHCTSGAGUBNW-UHFFFAOYSA-N -1 1 302.672 0.953 20 0 DCADMM O=C(N[C@H](CO)[C@H]1CCCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001606635128 1170249573 /nfs/dbraw/zinc/24/95/73/1170249573.db2.gz JBIMGWPMLGZSGG-WCBMZHEXSA-N -1 1 323.378 0.446 20 0 DCADMM CO[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1cnn(C)c1 ZINC001606644632 1170251313 /nfs/dbraw/zinc/25/13/13/1170251313.db2.gz TUWJUBOONRJDPP-BXUZGUMPSA-N -1 1 324.381 0.115 20 0 DCADMM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001606649219 1170252280 /nfs/dbraw/zinc/25/22/80/1170252280.db2.gz UOWDEFFRVJJROC-ZJUUUORDSA-N -1 1 305.363 0.962 20 0 DCADMM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001606649219 1170252285 /nfs/dbraw/zinc/25/22/85/1170252285.db2.gz UOWDEFFRVJJROC-ZJUUUORDSA-N -1 1 305.363 0.962 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(-c2nnn[n-]2)n1 ZINC001606696427 1170265129 /nfs/dbraw/zinc/26/51/29/1170265129.db2.gz OPSFKCLGVONFIC-KBPBESRZSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(-c2nn[n-]n2)n1 ZINC001606696427 1170265134 /nfs/dbraw/zinc/26/51/34/1170265134.db2.gz OPSFKCLGVONFIC-KBPBESRZSA-N -1 1 322.328 0.650 20 0 DCADMM CO[C@]1(C(=O)[O-])CCN([C@H]2CC(=O)N(CCC(C)C)C2=O)C1 ZINC001606702436 1170268231 /nfs/dbraw/zinc/26/82/31/1170268231.db2.gz AQPAPWHQXFRLAA-XHDPSFHLSA-N -1 1 312.366 0.336 20 0 DCADMM CO[C@H]1CCN(C(=O)c2cccc3nn[nH]c32)[C@@H](C(=O)[O-])C1 ZINC001606753288 1170279273 /nfs/dbraw/zinc/27/92/73/1170279273.db2.gz ILFZEDHQFPCAEP-GZMMTYOYSA-N -1 1 304.306 0.662 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1cnccn1 ZINC001606818714 1170300583 /nfs/dbraw/zinc/30/05/83/1170300583.db2.gz SNOYSDVRLGOEEM-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1cnccn1 ZINC001606818714 1170300593 /nfs/dbraw/zinc/30/05/93/1170300593.db2.gz SNOYSDVRLGOEEM-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM COC[C@@]1(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CNCCO1 ZINC001606821396 1170301329 /nfs/dbraw/zinc/30/13/29/1170301329.db2.gz CVMQLTQAIGNTHL-MRXNPFEDSA-N -1 1 322.361 0.348 20 0 DCADMM O=C([N-]Cc1ccc(-c2nn[nH]n2)cn1)C(F)(F)C(F)F ZINC001606826034 1170303204 /nfs/dbraw/zinc/30/32/04/1170303204.db2.gz OKGRTIAJLJTSGN-UHFFFAOYSA-N -1 1 304.207 0.778 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccc2nonc2c1 ZINC001606842551 1170309990 /nfs/dbraw/zinc/30/99/90/1170309990.db2.gz WNRPGIUAIOLZAW-UHFFFAOYSA-N -1 1 322.288 0.728 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccc2nonc2c1 ZINC001606842551 1170309994 /nfs/dbraw/zinc/30/99/94/1170309994.db2.gz WNRPGIUAIOLZAW-UHFFFAOYSA-N -1 1 322.288 0.728 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1csc(CO)n1 ZINC001606847025 1170313131 /nfs/dbraw/zinc/31/31/31/1170313131.db2.gz FHKCUTNNYONYTL-UHFFFAOYSA-N -1 1 323.363 0.202 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1csc(CO)n1 ZINC001606847025 1170313136 /nfs/dbraw/zinc/31/31/36/1170313136.db2.gz FHKCUTNNYONYTL-UHFFFAOYSA-N -1 1 323.363 0.202 20 0 DCADMM O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1coc(-c2nnn[n-]2)c1 ZINC001606879767 1170320053 /nfs/dbraw/zinc/32/00/53/1170320053.db2.gz KMESVHGICBJVTD-IONNQARKSA-N -1 1 313.264 0.738 20 0 DCADMM O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1coc(-c2nn[n-]n2)c1 ZINC001606879767 1170320062 /nfs/dbraw/zinc/32/00/62/1170320062.db2.gz KMESVHGICBJVTD-IONNQARKSA-N -1 1 313.264 0.738 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccnc1-n1cccn1 ZINC001606892949 1170324455 /nfs/dbraw/zinc/32/44/55/1170324455.db2.gz BHJSPNNICZBESO-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccnc1-n1cccn1 ZINC001606892949 1170324456 /nfs/dbraw/zinc/32/44/56/1170324456.db2.gz BHJSPNNICZBESO-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H]1CCO ZINC001606943570 1170336355 /nfs/dbraw/zinc/33/63/55/1170336355.db2.gz AHOWMJFXMPGOQH-JTQLQIEISA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H]1CCO ZINC001606943570 1170336358 /nfs/dbraw/zinc/33/63/58/1170336358.db2.gz AHOWMJFXMPGOQH-JTQLQIEISA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCC12OCCO2 ZINC001606953510 1170337360 /nfs/dbraw/zinc/33/73/60/1170337360.db2.gz UTKISZCCOOUOGE-ZETCQYMHSA-N -1 1 322.350 0.805 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCC12OCCO2 ZINC001606953510 1170337365 /nfs/dbraw/zinc/33/73/65/1170337365.db2.gz UTKISZCCOOUOGE-ZETCQYMHSA-N -1 1 322.350 0.805 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCn2cncc2C1 ZINC001606953349 1170337849 /nfs/dbraw/zinc/33/78/49/1170337849.db2.gz MPMUAJAMOUXBPN-ZETCQYMHSA-N -1 1 316.350 0.721 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCn2cncc2C1 ZINC001606953349 1170337859 /nfs/dbraw/zinc/33/78/59/1170337859.db2.gz MPMUAJAMOUXBPN-ZETCQYMHSA-N -1 1 316.350 0.721 20 0 DCADMM O=C(COC(=O)c1coc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC001606963392 1170340229 /nfs/dbraw/zinc/34/02/29/1170340229.db2.gz DSFKOWCFPDWQNQ-QMMMGPOBSA-N -1 1 306.278 0.612 20 0 DCADMM O=C(COC(=O)c1coc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC001606963392 1170340236 /nfs/dbraw/zinc/34/02/36/1170340236.db2.gz DSFKOWCFPDWQNQ-QMMMGPOBSA-N -1 1 306.278 0.612 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001607033055 1170360474 /nfs/dbraw/zinc/36/04/74/1170360474.db2.gz OLNTXPMQWAMXKJ-SECBINFHSA-N -1 1 318.293 0.126 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001607033055 1170360477 /nfs/dbraw/zinc/36/04/77/1170360477.db2.gz OLNTXPMQWAMXKJ-SECBINFHSA-N -1 1 318.293 0.126 20 0 DCADMM COc1c(NC[C@H](C)N2CCN(C)CC2)ncnc1C(=O)[O-] ZINC001607034917 1170362192 /nfs/dbraw/zinc/36/21/92/1170362192.db2.gz BWBBLKCSUVGXOP-JTQLQIEISA-N -1 1 309.370 0.231 20 0 DCADMM O=C1C[C@H](Oc2cccc(Nc3cc(-c4nnn[n-]4)ncn3)c2)N1 ZINC001607039653 1170363502 /nfs/dbraw/zinc/36/35/02/1170363502.db2.gz DCMMKOQICCLYGJ-ZDUSSCGKSA-N -1 1 324.304 0.625 20 0 DCADMM O=C1C[C@H](Oc2cccc(Nc3cc(-c4nn[n-]n4)ncn3)c2)N1 ZINC001607039653 1170363508 /nfs/dbraw/zinc/36/35/08/1170363508.db2.gz DCMMKOQICCLYGJ-ZDUSSCGKSA-N -1 1 324.304 0.625 20 0 DCADMM O=C1NCC[C@@H]1CCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001607051854 1170371049 /nfs/dbraw/zinc/37/10/49/1170371049.db2.gz NTTNXCDXWNLQRO-SNVBAGLBSA-N -1 1 324.344 0.708 20 0 DCADMM O=C1O[C@H](Cn2cnc(-c3nn[n-]n3)n2)CN1C1CCCCC1 ZINC001607054556 1170371427 /nfs/dbraw/zinc/37/14/27/1170371427.db2.gz NPQUEYBLXCIMSV-SNVBAGLBSA-N -1 1 318.341 0.612 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1nnc(C2CC2)s1 ZINC001607089568 1170387635 /nfs/dbraw/zinc/38/76/35/1170387635.db2.gz AGHSYWUVNMJACX-UHFFFAOYSA-N -1 1 302.323 0.201 20 0 DCADMM O[C@@H]1c2ccccc2OC[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001607099006 1170393914 /nfs/dbraw/zinc/39/39/14/1170393914.db2.gz CKEAKPKAZWRUHD-ZWNOBZJWSA-N -1 1 311.305 0.563 20 0 DCADMM O[C@@H]1c2ccccc2OC[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001607099006 1170393918 /nfs/dbraw/zinc/39/39/18/1170393918.db2.gz CKEAKPKAZWRUHD-ZWNOBZJWSA-N -1 1 311.305 0.563 20 0 DCADMM OC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@H](O)C1CCCCC1 ZINC001607101396 1170395195 /nfs/dbraw/zinc/39/51/95/1170395195.db2.gz HUYQXVYYYLGLTB-ZIAGYGMSSA-N -1 1 318.381 0.398 20 0 DCADMM OC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)[C@H](O)C1CCCCC1 ZINC001607101396 1170395203 /nfs/dbraw/zinc/39/52/03/1170395203.db2.gz HUYQXVYYYLGLTB-ZIAGYGMSSA-N -1 1 318.381 0.398 20 0 DCADMM OCC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001607107742 1170401094 /nfs/dbraw/zinc/40/10/94/1170401094.db2.gz XHYDJHLTFOSLCR-LLVKDONJSA-N -1 1 303.370 0.822 20 0 DCADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCC2(C1)OCCO2 ZINC001607114053 1170403693 /nfs/dbraw/zinc/40/36/93/1170403693.db2.gz FKUMTJMCFVNKGF-UHFFFAOYSA-N -1 1 315.337 0.487 20 0 DCADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCC2(C1)OCCO2 ZINC001607114053 1170403695 /nfs/dbraw/zinc/40/36/95/1170403695.db2.gz FKUMTJMCFVNKGF-UHFFFAOYSA-N -1 1 315.337 0.487 20 0 DCADMM c1nc(NCc2noc3c2COCC3)cc(-c2nnn[n-]2)n1 ZINC001607136899 1170408118 /nfs/dbraw/zinc/40/81/18/1170408118.db2.gz DQPZGKGKJOTZPQ-UHFFFAOYSA-N -1 1 300.282 0.330 20 0 DCADMM c1nc(NCc2noc3c2COCC3)cc(-c2nn[n-]n2)n1 ZINC001607136899 1170408120 /nfs/dbraw/zinc/40/81/20/1170408120.db2.gz DQPZGKGKJOTZPQ-UHFFFAOYSA-N -1 1 300.282 0.330 20 0 DCADMM c1csc(-c2noc(Cn3cc(-c4nn[n-]n4)nn3)n2)c1 ZINC001607136624 1170408260 /nfs/dbraw/zinc/40/82/60/1170408260.db2.gz MMTMACQCWHCGEC-UHFFFAOYSA-N -1 1 301.295 0.618 20 0 DCADMM c1ncn([C@H]2CCN(Cc3nc(-c4nnn[n-]4)cs3)C2)n1 ZINC001607137472 1170409303 /nfs/dbraw/zinc/40/93/03/1170409303.db2.gz AZFHFTHYJFXVAA-QMMMGPOBSA-N -1 1 303.355 0.362 20 0 DCADMM c1ncn([C@H]2CCN(Cc3nc(-c4nn[n-]n4)cs3)C2)n1 ZINC001607137472 1170409306 /nfs/dbraw/zinc/40/93/06/1170409306.db2.gz AZFHFTHYJFXVAA-QMMMGPOBSA-N -1 1 303.355 0.362 20 0 DCADMM COc1cccc(C[C@@H](NCC(=O)N(C)C2CC2)C(=O)[O-])c1 ZINC001607319733 1170427717 /nfs/dbraw/zinc/42/77/17/1170427717.db2.gz VISMWYBUOIGMKT-CQSZACIVSA-N -1 1 306.362 0.901 20 0 DCADMM 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ZINC001609320813 1170934780 /nfs/dbraw/zinc/93/47/80/1170934780.db2.gz CKXPSHGDIVSPHU-WPRPVWTQSA-N -1 1 321.337 0.644 20 0 DCADMM COC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C[C@H](C)O1 ZINC001609320813 1170934783 /nfs/dbraw/zinc/93/47/83/1170934783.db2.gz CKXPSHGDIVSPHU-WPRPVWTQSA-N -1 1 321.337 0.644 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1noc(C(C)C)n1 ZINC001609332684 1170943004 /nfs/dbraw/zinc/94/30/04/1170943004.db2.gz HKNQUVSVWISLCP-UHFFFAOYSA-N -1 1 317.309 0.592 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCn2cccc2)nn1C ZINC001609379265 1170957625 /nfs/dbraw/zinc/95/76/25/1170957625.db2.gz YYWIXYXIDHVVIY-UHFFFAOYSA-N -1 1 300.326 0.739 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCn2cccc2)nn1C ZINC001609379265 1170957631 /nfs/dbraw/zinc/95/76/31/1170957631.db2.gz YYWIXYXIDHVVIY-UHFFFAOYSA-N -1 1 300.326 0.739 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2cn(CC3CC3)nn2)c1 ZINC001609386457 1170960431 /nfs/dbraw/zinc/96/04/31/1170960431.db2.gz NVMNSRFDLBZJTQ-UHFFFAOYSA-N -1 1 312.337 0.387 20 0 DCADMM Cc1ccc(C(N)=O)cc1OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609421234 1170973673 /nfs/dbraw/zinc/97/36/73/1170973673.db2.gz VEUBWNKHUWPRBC-UHFFFAOYSA-N -1 1 324.300 0.888 20 0 DCADMM Cc1ccc(C(N)=O)cc1OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609421234 1170973682 /nfs/dbraw/zinc/97/36/82/1170973682.db2.gz VEUBWNKHUWPRBC-UHFFFAOYSA-N -1 1 324.300 0.888 20 0 DCADMM Cc1ccc(N2CCO[C@@]3(CCO[C@@H]3C)C2)nc1-c1nnn[n-]1 ZINC001609425342 1170975133 /nfs/dbraw/zinc/97/51/33/1170975133.db2.gz LCOXZZKSIJLHOP-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@@]3(CCO[C@@H]3C)C2)nc1-c1nn[n-]n1 ZINC001609425342 1170975137 /nfs/dbraw/zinc/97/51/37/1170975137.db2.gz LCOXZZKSIJLHOP-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(CC(=O)NCCn2cnc(-c3nn[n-]n3)n2)s1 ZINC001609422051 1170975161 /nfs/dbraw/zinc/97/51/61/1170975161.db2.gz LPQYGGYAUMGPOT-UHFFFAOYSA-N -1 1 318.366 0.187 20 0 DCADMM Cc1ccc(N2CCO[C@]3(CCO[C@H]3C)C2)nc1-c1nnn[n-]1 ZINC001609425345 1170975201 /nfs/dbraw/zinc/97/52/01/1170975201.db2.gz LCOXZZKSIJLHOP-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@]3(CCO[C@H]3C)C2)nc1-c1nn[n-]n1 ZINC001609425345 1170975204 /nfs/dbraw/zinc/97/52/04/1170975204.db2.gz LCOXZZKSIJLHOP-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1[nH]nc(NC(=O)COCc2cccnc2)c1-c1nn[n-]n1 ZINC001609444454 1170979656 /nfs/dbraw/zinc/97/96/56/1170979656.db2.gz DBTYFCMTGAAADD-UHFFFAOYSA-N -1 1 314.309 0.449 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001609458255 1170984801 /nfs/dbraw/zinc/98/48/01/1170984801.db2.gz BRLPYUHVUPFHSO-ZCFIWIBFSA-N -1 1 315.341 0.440 20 0 DCADMM Cc1nn(C)c(Cl)c1Cn1cncc(-c2nn[n-]n2)c1=O ZINC001609458664 1170985337 /nfs/dbraw/zinc/98/53/37/1170985337.db2.gz KBBPJCWPVQJCSR-UHFFFAOYSA-N -1 1 306.717 0.167 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H](OCCO)C1 ZINC001609467143 1170989184 /nfs/dbraw/zinc/98/91/84/1170989184.db2.gz VSJIKOBAIFZEKY-SNVBAGLBSA-N -1 1 321.337 0.382 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H](OCCO)C1 ZINC001609467143 1170989190 /nfs/dbraw/zinc/98/91/90/1170989190.db2.gz VSJIKOBAIFZEKY-SNVBAGLBSA-N -1 1 321.337 0.382 20 0 DCADMM O=C(C1CC1)[C@@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001609515667 1171008634 /nfs/dbraw/zinc/00/86/34/1171008634.db2.gz QSTZIAXVPSILFR-ZDUSSCGKSA-N -1 1 314.349 0.442 20 0 DCADMM O=C(C1CC1)[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001609515667 1171008642 /nfs/dbraw/zinc/00/86/42/1171008642.db2.gz QSTZIAXVPSILFR-ZDUSSCGKSA-N -1 1 314.349 0.442 20 0 DCADMM O=C(NCCC1CC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609547225 1171017395 /nfs/dbraw/zinc/01/73/95/1171017395.db2.gz VFUNKRXRVLOERQ-UHFFFAOYSA-N -1 1 301.310 0.117 20 0 DCADMM O=C(NCCC1CC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609547225 1171017402 /nfs/dbraw/zinc/01/74/02/1171017402.db2.gz VFUNKRXRVLOERQ-UHFFFAOYSA-N -1 1 301.310 0.117 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@H]1CCOC1 ZINC001609552536 1171019423 /nfs/dbraw/zinc/01/94/23/1171019423.db2.gz KEKXPBNLCXSMGK-QMMMGPOBSA-N -1 1 309.276 0.798 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@H]1CCOC1 ZINC001609552536 1171019427 /nfs/dbraw/zinc/01/94/27/1171019427.db2.gz KEKXPBNLCXSMGK-QMMMGPOBSA-N -1 1 309.276 0.798 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@@H]1CCOC1 ZINC001609552535 1171019951 /nfs/dbraw/zinc/01/99/51/1171019951.db2.gz KEKXPBNLCXSMGK-MRVPVSSYSA-N -1 1 309.276 0.798 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@@H]1CCOC1 ZINC001609552535 1171019959 /nfs/dbraw/zinc/01/99/59/1171019959.db2.gz KEKXPBNLCXSMGK-MRVPVSSYSA-N -1 1 309.276 0.798 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCOC[C@H]1c1ncon1 ZINC001609582244 1171030077 /nfs/dbraw/zinc/03/00/77/1171030077.db2.gz TWZZUIDEVIMORJ-ZETCQYMHSA-N -1 1 317.265 0.056 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCOC[C@H]1c1ncon1 ZINC001609582244 1171030085 /nfs/dbraw/zinc/03/00/85/1171030085.db2.gz TWZZUIDEVIMORJ-ZETCQYMHSA-N -1 1 317.265 0.056 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)c(F)c1)N1CC[C@@H](F)C1 ZINC001609597220 1171037418 /nfs/dbraw/zinc/03/74/18/1171037418.db2.gz KWRUJTHZPCMHCV-SSDOTTSWSA-N -1 1 315.305 0.738 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCC1OCCCO1)CCC2 ZINC001609604321 1171039144 /nfs/dbraw/zinc/03/91/44/1171039144.db2.gz HRESUQCNISNVLG-UHFFFAOYSA-N -1 1 317.349 0.670 20 0 DCADMM O[C@H](CNc1cc(-c2nnn[n-]2)ncn1)c1ccccc1F ZINC001609606331 1171042894 /nfs/dbraw/zinc/04/28/94/1171042894.db2.gz CJRXNMMCQRKCFG-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM O[C@H](CNc1cc(-c2nn[n-]n2)ncn1)c1ccccc1F ZINC001609606331 1171042904 /nfs/dbraw/zinc/04/29/04/1171042904.db2.gz CJRXNMMCQRKCFG-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM OCc1nc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)n[nH]1 ZINC001609611420 1171047820 /nfs/dbraw/zinc/04/78/20/1171047820.db2.gz YXCXDXMMSAIZOU-UHFFFAOYSA-N -1 1 310.730 0.677 20 0 DCADMM OCc1nc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)n[nH]1 ZINC001609611420 1171047827 /nfs/dbraw/zinc/04/78/27/1171047827.db2.gz YXCXDXMMSAIZOU-UHFFFAOYSA-N -1 1 310.730 0.677 20 0 DCADMM c1cnnc(N2CCC(Nc3ncncc3-c3nn[n-]n3)CC2)c1 ZINC001609619751 1171050339 /nfs/dbraw/zinc/05/03/39/1171050339.db2.gz ALGPOOYSRVOQBQ-UHFFFAOYSA-N -1 1 324.352 0.528 20 0 DCADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@](C)(CO)C1 ZINC001609632903 1171055474 /nfs/dbraw/zinc/05/54/74/1171055474.db2.gz JRMAHRMMIXRGQZ-LRDDRELGSA-N -1 1 312.410 0.793 20 0 DCADMM CC(C)N(C)C(=O)[C@@H](C)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001609631542 1171056398 /nfs/dbraw/zinc/05/63/98/1171056398.db2.gz HPCGBYHZGHJSCJ-LLVKDONJSA-N -1 1 323.397 0.869 20 0 DCADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cnn(CCF)c2)CC1 ZINC001609651031 1171061333 /nfs/dbraw/zinc/06/13/33/1171061333.db2.gz IDADJAHJAGBUBP-UHFFFAOYSA-N -1 1 312.345 0.474 20 0 DCADMM CC(C)C[C@@H](NC(=O)CN1CCN(C)C[C@@H]1C(C)C)C(=O)[O-] ZINC001609694438 1171068994 /nfs/dbraw/zinc/06/89/94/1171068994.db2.gz ZHFLMFMSBVPSHV-ZIAGYGMSSA-N -1 1 313.442 0.874 20 0 DCADMM C[C@H]1C[C@H](NS(=O)(=O)c2cncc(C(=O)[O-])c2)CCN1C ZINC001609843113 1171102556 /nfs/dbraw/zinc/10/25/56/1171102556.db2.gz ANULQYPGBXTVDU-GXSJLCMTSA-N -1 1 313.379 0.541 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Cn1cc(C2CC2)nn1 ZINC001609866839 1171107680 /nfs/dbraw/zinc/10/76/80/1171107680.db2.gz FXOCDZWYFLDZBG-LLVKDONJSA-N -1 1 321.381 0.163 20 0 DCADMM C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)[C@@H](C)CN1 ZINC001609863649 1171108197 /nfs/dbraw/zinc/10/81/97/1171108197.db2.gz SOIZARKTEFICLM-UWVGGRQHSA-N -1 1 305.334 0.532 20 0 DCADMM C[C@H]1CN(C(=O)Cc2cccc(O)c2)CCN1CCC(=O)[O-] ZINC001609865803 1171108549 /nfs/dbraw/zinc/10/85/49/1171108549.db2.gz WYDRVEOSHSAYSR-LBPRGKRZSA-N -1 1 306.362 0.942 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=S)NC[C@@H]1CCOC1 ZINC001609870458 1171110351 /nfs/dbraw/zinc/11/03/51/1171110351.db2.gz ILENXIRAALGKGM-RYUDHWBXSA-N -1 1 315.439 0.378 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cnn2ccccc12 ZINC001609873029 1171111540 /nfs/dbraw/zinc/11/15/40/1171111540.db2.gz ZLGJSTICDALNJQ-GFCCVEGCSA-N -1 1 316.361 0.955 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@](C)(C(=O)NC)C1)C(=O)[O-] ZINC001609898195 1171117824 /nfs/dbraw/zinc/11/78/24/1171117824.db2.gz FBUIISHNLKTYHZ-NVBFEUDRSA-N -1 1 313.398 0.060 20 0 DCADMM CCC(CC)(NCC(=O)NC1CCN(C(C)=O)CC1)C(=O)[O-] ZINC001609916160 1171120645 /nfs/dbraw/zinc/12/06/45/1171120645.db2.gz WPOVIATVSPLIPI-UHFFFAOYSA-N -1 1 313.398 0.347 20 0 DCADMM CC[C@@H](c1ccccc1)N(CC(=O)[O-])CC(=O)N1CCNCC1 ZINC001609939397 1171124567 /nfs/dbraw/zinc/12/45/67/1171124567.db2.gz OJBHIRBMOLFORO-HNNXBMFYSA-N -1 1 319.405 0.956 20 0 DCADMM CC[C@H]1CN(CCc2cn(CC(=O)[O-])nn2)C[C@]2(CCOC2)O1 ZINC001609949580 1171126290 /nfs/dbraw/zinc/12/62/90/1171126290.db2.gz XICCDFBSKNBLJK-ZFWWWQNUSA-N -1 1 324.381 0.175 20 0 DCADMM CCOC(=O)[C@@H]1CCCN(C(=O)CN[C@@](C)(CC)C(=O)[O-])C1 ZINC001610014897 1171140044 /nfs/dbraw/zinc/14/00/44/1171140044.db2.gz VZRHJOHXRBQSND-ABAIWWIYSA-N -1 1 314.382 0.631 20 0 DCADMM CCc1cc(CNC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])n[nH]1 ZINC001610058289 1171147085 /nfs/dbraw/zinc/14/70/85/1171147085.db2.gz GZIFYVPVRDZDHL-UHFFFAOYSA-N -1 1 319.321 0.562 20 0 DCADMM 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/nfs/dbraw/zinc/03/83/14/1167038314.db2.gz CTYOXUSOSAPZJZ-NRFANRHFSA-N -1 1 309.355 0.152 20 0 DCADMM CS[C@@H](CO)[C@@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591690769 1167355372 /nfs/dbraw/zinc/35/53/72/1167355372.db2.gz VDPFWCNTNKOJNQ-XCBNKYQSSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@@H](CO)[C@@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591690769 1167355381 /nfs/dbraw/zinc/35/53/81/1167355381.db2.gz VDPFWCNTNKOJNQ-XCBNKYQSSA-N -1 1 308.367 0.104 20 0 DCADMM O=S(=O)(CCCCF)Oc1cccnc1-c1nn[n-]n1 ZINC001593418682 1167831683 /nfs/dbraw/zinc/83/16/83/1167831683.db2.gz JGFDWLDYAUPPMO-UHFFFAOYSA-N -1 1 301.303 0.720 20 0 DCADMM C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001603570772 1169326706 /nfs/dbraw/zinc/32/67/06/1169326706.db2.gz IDMBNCGNDSPLCJ-PPRQPISWSA-N -1 1 308.367 0.101 20 0 DCADMM C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001603570772 1169326714 /nfs/dbraw/zinc/32/67/14/1169326714.db2.gz IDMBNCGNDSPLCJ-PPRQPISWSA-N -1 1 308.367 0.101 20 0 DCADMM COc1cncc(CN(C)CCNC(=O)c2ncccc2[O-])n1 ZINC001480857294 939026148 /nfs/dbraw/zinc/02/61/48/939026148.db2.gz UGGMARNFOOUPBY-UHFFFAOYSA-N -1 1 317.349 0.448 20 0 DCADMM O=C(C[C@H]1C=CCC1)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001266395803 939104630 /nfs/dbraw/zinc/10/46/30/939104630.db2.gz VNEUNXNNHVEOGI-JQWIXIFHSA-N -1 1 305.382 0.851 20 0 DCADMM O=C(NCCC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)c1ccn[nH]1 ZINC001267161845 939364887 /nfs/dbraw/zinc/36/48/87/939364887.db2.gz WRPRXOFWGFSQDR-JTQLQIEISA-N -1 1 319.369 0.408 20 0 DCADMM CC[N@@H+](CCNC(=O)c1ccccc1O)[C@H]1CCC(=O)NC1=O ZINC001480963200 939503430 /nfs/dbraw/zinc/50/34/30/939503430.db2.gz LXRBQFFESPNKOH-LBPRGKRZSA-N -1 1 319.361 0.249 20 0 DCADMM Cn1[n-]c(CN2CC[C@H](CNC(=O)C=C3CCC3)C2)nc1=O ZINC001481086567 939553428 /nfs/dbraw/zinc/55/34/28/939553428.db2.gz PGUKRKUXFWAOIL-GFCCVEGCSA-N -1 1 305.382 0.157 20 0 DCADMM COc1ncc(-c2nccc3n[nH]nc32)cc1[N-]S(C)(=O)=O ZINC001244788656 945267469 /nfs/dbraw/zinc/26/74/69/945267469.db2.gz AXIUDPHIPXQITB-UHFFFAOYSA-N -1 1 320.334 0.795 20 0 DCADMM CCc1noc([C@@H](C)NCCNC(=O)c2ncccc2[O-])n1 ZINC001126110997 939762696 /nfs/dbraw/zinc/76/26/96/939762696.db2.gz UUTPGLZYOOXLMI-SECBINFHSA-N -1 1 305.338 0.813 20 0 DCADMM CC(F)(F)C(=O)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001481414332 939776374 /nfs/dbraw/zinc/77/63/74/939776374.db2.gz GLQDLNSNUVOCSI-MRVPVSSYSA-N -1 1 303.313 0.494 20 0 DCADMM C[C@@H](C(=O)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001481425438 939784067 /nfs/dbraw/zinc/78/40/67/939784067.db2.gz UIKNDUFBEIXGGT-MNOVXSKESA-N -1 1 307.398 0.885 20 0 DCADMM C[C@@H]1OCC[C@@H]1C(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001481908953 940178395 /nfs/dbraw/zinc/17/83/95/940178395.db2.gz YVOLFWTWKXBVBV-QWRGUYRKSA-N -1 1 323.397 0.454 20 0 DCADMM O=C(c1cn[nH]c1)N1CCC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001481968597 940197136 /nfs/dbraw/zinc/19/71/36/940197136.db2.gz RVRNSFHMYCCTKB-SNVBAGLBSA-N -1 1 319.369 0.266 20 0 DCADMM NC(=O)[C@]12C[C@H]1CCN2C(=O)c1cc(=O)c2cc(F)ccc2[n-]1 ZINC001269143512 940630160 /nfs/dbraw/zinc/63/01/60/940630160.db2.gz QYPXTNCHUXWMON-BCTVWOGZSA-N -1 1 315.304 0.757 20 0 DCADMM O=C(c1ncccc1[O-])N1CC[C@H]2C[C@]21C(=O)N1CCCCO1 ZINC001269346907 940689189 /nfs/dbraw/zinc/68/91/89/940689189.db2.gz MYZMLTOCZFHCOS-MEDUHNTESA-N -1 1 317.345 0.946 20 0 DCADMM O=C(c1ccc([O-])cn1)N1CC[C@]2(CCN(C3COC3)C2=O)C1 ZINC001269354393 940691074 /nfs/dbraw/zinc/69/10/74/940691074.db2.gz IEUZCWGOLCQRRU-INIZCTEOSA-N -1 1 317.345 0.251 20 0 DCADMM CCCCNC(=O)[C@H]1CC12CCN(C(=O)Cc1nn[n-]n1)CC2 ZINC001269576846 940735520 /nfs/dbraw/zinc/73/55/20/940735520.db2.gz YMNHLHNUSZKLTN-LLVKDONJSA-N -1 1 320.397 0.287 20 0 DCADMM CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccc([O-])cn1)C2 ZINC001270138750 940842350 /nfs/dbraw/zinc/84/23/50/940842350.db2.gz JFTSXQDBLDHPBF-GNXNZQSNSA-N -1 1 303.362 0.974 20 0 DCADMM O=C(Nc1nnco1)[C@@H]1CC12CN(C(=O)c1ccc([O-])cn1)C2 ZINC001270138988 940842619 /nfs/dbraw/zinc/84/26/19/940842619.db2.gz OJYLTLAJRMXJGB-VIFPVBQESA-N -1 1 315.289 0.271 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@]1(C)CC1(F)F ZINC001364035231 941014886 /nfs/dbraw/zinc/01/48/86/941014886.db2.gz FUNHKYCKUQRBFU-VIFPVBQESA-N -1 1 309.294 0.520 20 0 DCADMM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc([S@@](C)=O)cc1 ZINC001610898845 970781350 /nfs/dbraw/zinc/78/13/50/970781350.db2.gz OVOWJERQOYWYAM-OAQYLSRUSA-N -1 1 312.391 0.512 20 0 DCADMM CCCCN1C(=O)COCC12CN(C(=O)c1cncc([O-])c1)C2 ZINC001271386190 941364260 /nfs/dbraw/zinc/36/42/60/941364260.db2.gz LGZIBOYFTTZILV-UHFFFAOYSA-N -1 1 319.361 0.641 20 0 DCADMM CN1C[C@@]2(F)CN(C(=O)c3ccc(F)c(=O)[n-]3)C[C@@]2(F)C1=O ZINC001271743540 941442030 /nfs/dbraw/zinc/44/20/30/941442030.db2.gz YWZPGPFNGCUMQD-CHWSQXEVSA-N -1 1 315.251 0.271 20 0 DCADMM CO[C@@H](C)C(=O)N(C)CC[N@@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001482582081 941522065 /nfs/dbraw/zinc/52/20/65/941522065.db2.gz GYYPFIZPYMJDGT-NSHDSACASA-N -1 1 322.409 0.985 20 0 DCADMM CCOC(=O)C1(C[N-]S(=O)(=O)c2csnc2OC)CC1 ZINC001414332785 941574685 /nfs/dbraw/zinc/57/46/85/941574685.db2.gz REPRZXMSPIOAFK-UHFFFAOYSA-N -1 1 320.392 0.773 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCC[C@H](F)C1 ZINC001482923867 941712771 /nfs/dbraw/zinc/71/27/71/941712771.db2.gz HULBMRWEEDJRIN-QWRGUYRKSA-N -1 1 313.377 0.977 20 0 DCADMM CC[C@@H]1CC[C@@H](C(=O)N(CC)CCNCc2n[nH]c(=O)[n-]2)O1 ZINC001482926439 941714514 /nfs/dbraw/zinc/71/45/14/941714514.db2.gz AVRMNBCWOTZFFO-MNOVXSKESA-N -1 1 311.386 0.406 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CCc1ccccn1 ZINC001483157204 941915167 /nfs/dbraw/zinc/91/51/67/941915167.db2.gz ZMXIOSFFIZVUPV-SNVBAGLBSA-N -1 1 304.354 0.132 20 0 DCADMM Cc1ccc(C)c(CC(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)c1 ZINC001483162832 941917526 /nfs/dbraw/zinc/91/75/26/941917526.db2.gz PLZYRXXZRHDXRY-GFCCVEGCSA-N -1 1 317.393 0.964 20 0 DCADMM Cc1ccc(C(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)c(F)c1 ZINC001483168497 941920096 /nfs/dbraw/zinc/92/00/96/941920096.db2.gz DIZNAQWKOSHXDP-SECBINFHSA-N -1 1 307.329 0.866 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)c1ccccc1F ZINC001409333425 941924980 /nfs/dbraw/zinc/92/49/80/941924980.db2.gz SPXHYXGVIPNWAO-BDAKNGLRSA-N -1 1 307.329 0.946 20 0 DCADMM CCOc1ncccc1C(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001483189913 941929949 /nfs/dbraw/zinc/92/99/49/941929949.db2.gz CSDAVUOIIPUSOU-SECBINFHSA-N -1 1 320.353 0.212 20 0 DCADMM Cc1nsc(C)c1C(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001483198457 941932730 /nfs/dbraw/zinc/93/27/30/941932730.db2.gz CSNPZIVLSBEPIZ-ZCFIWIBFSA-N -1 1 310.383 0.492 20 0 DCADMM Cc1ccc(C(=O)N[C@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)nc1C ZINC001409352268 941959100 /nfs/dbraw/zinc/95/91/00/941959100.db2.gz DJOMTIVTUWMZAQ-GHMZBOCLSA-N -1 1 318.381 0.819 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)Cc1ncccc1F ZINC001409429270 941993714 /nfs/dbraw/zinc/99/37/14/941993714.db2.gz ZZHYXTIBGNTYLB-BDAKNGLRSA-N -1 1 322.344 0.270 20 0 DCADMM Cc1cc(C(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)ccn1 ZINC001409613751 942090316 /nfs/dbraw/zinc/09/03/16/942090316.db2.gz AWADIIQWMYMGNI-NSHDSACASA-N -1 1 318.381 0.062 20 0 DCADMM CC[C@@H](C)CCC(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001409624894 942097899 /nfs/dbraw/zinc/09/78/99/942097899.db2.gz ZGSCQQNUKAGASZ-NEPJUHHUSA-N -1 1 311.430 0.871 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC001412843020 942102342 /nfs/dbraw/zinc/10/23/42/942102342.db2.gz KTXSLBCFBCSUIC-JTQLQIEISA-N -1 1 323.349 0.928 20 0 DCADMM O=C(CCCc1nn[n-]n1)NC[C@@H](CO)CC1CCOCC1 ZINC001412892480 942127357 /nfs/dbraw/zinc/12/73/57/942127357.db2.gz GRCFSTQKMJEZCS-LBPRGKRZSA-N -1 1 311.386 0.064 20 0 DCADMM CC1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CC(F)(F)C1 ZINC001412893939 942128474 /nfs/dbraw/zinc/12/84/74/942128474.db2.gz CQIMUWQEUMENPP-UHFFFAOYSA-N -1 1 301.297 0.445 20 0 DCADMM C[C@]1(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)CCNC(=O)C1 ZINC001412929846 942144405 /nfs/dbraw/zinc/14/44/05/942144405.db2.gz GYGXBQJAPUXCSA-AWEZNQCLSA-N -1 1 308.338 0.398 20 0 DCADMM Cn1c(CNC(=O)NCc2cccc(C(=O)[O-])c2)n[nH]c1=O ZINC001600914625 970879623 /nfs/dbraw/zinc/87/96/23/970879623.db2.gz KUYGAYSOVPBKIO-UHFFFAOYSA-N -1 1 305.294 0.218 20 0 DCADMM C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C1(C2CC2)CC1 ZINC001483352779 942292575 /nfs/dbraw/zinc/29/25/75/942292575.db2.gz RCWMWCYPHZMQCB-SNVBAGLBSA-N -1 1 307.398 0.235 20 0 DCADMM O=C(CCC(F)(F)F)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001483553053 942414743 /nfs/dbraw/zinc/41/47/43/942414743.db2.gz XAROPYIIXLMACB-MRVPVSSYSA-N -1 1 321.303 0.837 20 0 DCADMM C[C@@H]1C[C@H]1c1ccc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)o1 ZINC001127104545 942485028 /nfs/dbraw/zinc/48/50/28/942485028.db2.gz AYEVTXQOPUHZFF-RKDXNWHRSA-N -1 1 305.338 0.746 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cc(CO)ccn1 ZINC001413155814 942536689 /nfs/dbraw/zinc/53/66/89/942536689.db2.gz BMCYLQVWHKFKSF-UHFFFAOYSA-N -1 1 302.290 0.043 20 0 DCADMM CSc1nc(CNC(=O)CNC(=O)C(C)(C)C)cc(=O)[n-]1 ZINC001413195976 942554648 /nfs/dbraw/zinc/55/46/48/942554648.db2.gz 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966084464 /nfs/dbraw/zinc/08/44/64/966084464.db2.gz WNPTYNDNZLSHMF-PWSUYJOCSA-N -1 1 321.377 0.789 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001374904749 966120467 /nfs/dbraw/zinc/12/04/67/966120467.db2.gz NMLSIZJLNSHRHN-VIFPVBQESA-N -1 1 321.385 0.370 20 0 DCADMM Cc1ncncc1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001376771439 966147930 /nfs/dbraw/zinc/14/79/30/966147930.db2.gz KKMPRPSMDVOULC-SECBINFHSA-N -1 1 315.333 0.434 20 0 DCADMM O=C(CCC(F)F)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001370683338 966375388 /nfs/dbraw/zinc/37/53/88/966375388.db2.gz VICQCUGKFGVSND-QMMMGPOBSA-N -1 1 317.292 0.039 20 0 DCADMM C[C@@H](NC(=O)C1(C(F)F)CCC1)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001381418026 966398058 /nfs/dbraw/zinc/39/80/58/966398058.db2.gz ODPFFOOICPGFFN-JGVFFNPUSA-N -1 1 317.340 0.929 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1nnc(C)n1C ZINC001447932563 1013655416 /nfs/dbraw/zinc/65/54/16/1013655416.db2.gz GRWVIWSUFUCPII-UHFFFAOYSA-N -1 1 322.394 0.622 20 0 DCADMM Cc1ccnn1CC(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001447930971 1013655800 /nfs/dbraw/zinc/65/58/00/1013655800.db2.gz JEUNWFVUBIASRD-JTQLQIEISA-N -1 1 317.349 0.227 20 0 DCADMM Cn1[n-]c(CN2CCCC[C@@H]2CNC(=O)C(C)(C)F)nc1=O ZINC001370826845 966518800 /nfs/dbraw/zinc/51/88/00/966518800.db2.gz FAQFQOZWDQAZQW-SNVBAGLBSA-N -1 1 313.377 0.327 20 0 DCADMM CC(C)[C@H](C)C(=O)NC[C@H]1CCCCN1Cc1nc(=O)n(C)[n-]1 ZINC001370889256 966566170 /nfs/dbraw/zinc/56/61/70/966566170.db2.gz DBFAFTUPPFPSGX-QWHCGFSZSA-N -1 1 323.441 0.871 20 0 DCADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCCO1 ZINC001381735872 966656763 /nfs/dbraw/zinc/65/67/63/966656763.db2.gz ACDYJKHYNHRWCY-MNOVXSKESA-N -1 1 311.386 0.454 20 0 DCADMM CN(C(=O)c1cocn1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001382014677 966866938 /nfs/dbraw/zinc/86/69/38/966866938.db2.gz YBXUJUMZSPEUBT-JTQLQIEISA-N -1 1 306.326 0.139 20 0 DCADMM C[C@H](CNC(=O)C[C@@H](C)C(F)(F)F)NCc1n[nH]c(=O)[n-]1 ZINC001371345559 966920510 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DCADMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001472585365 1016832054 /nfs/dbraw/zinc/83/20/54/1016832054.db2.gz BZUBEWDJBOAOLB-UWVGGRQHSA-N -1 1 323.349 0.942 20 0 DCADMM CO[C@H](C)CC(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001428872911 1004230889 /nfs/dbraw/zinc/23/08/89/1004230889.db2.gz NORZJCGCVPUWIK-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NC(=O)CN2CCCC2)c1[O-] ZINC001508540940 1016895449 /nfs/dbraw/zinc/89/54/49/1016895449.db2.gz VYMAIDSPUKTLAW-UWVGGRQHSA-N -1 1 323.397 0.143 20 0 DCADMM CC1(C(=O)NC[C@@H](CO)NC(=O)c2ncccc2[O-])CCCC1 ZINC001427893631 1004667323 /nfs/dbraw/zinc/66/73/23/1004667323.db2.gz GWYVPVLFIUOSDH-NSHDSACASA-N -1 1 321.377 0.574 20 0 DCADMM CC(C)OCC(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001429601201 1004689374 /nfs/dbraw/zinc/68/93/74/1004689374.db2.gz SEKAOMSDCCIISB-LBPRGKRZSA-N -1 1 321.377 0.885 20 0 DCADMM C[C@@H](CC(C)(C)O)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001413914917 1005229031 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CN(CCNC(=O)c1ncccc1[O-])C(=O)C1CCC(O)CC1 ZINC001415477544 1005540167 /nfs/dbraw/zinc/54/01/67/1005540167.db2.gz NYSWSQKGYGQXDV-UHFFFAOYSA-N -1 1 321.377 0.527 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CCCCO1 ZINC001415665134 1005588619 /nfs/dbraw/zinc/58/86/19/1005588619.db2.gz SFZWMPQWEUMUEH-CYBMUJFWSA-N -1 1 321.377 0.935 20 0 DCADMM Cn1[n-]c(CN2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)nc1=O ZINC001415819626 1005617263 /nfs/dbraw/zinc/61/72/63/1005617263.db2.gz WTRPFQRVWYDYRA-UHFFFAOYSA-N -1 1 321.425 0.435 20 0 DCADMM Cn1ccc(CN2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC001415821520 1005617270 /nfs/dbraw/zinc/61/72/70/1005617270.db2.gz RQOOFDLIYSMDBS-UHFFFAOYSA-N -1 1 301.350 0.479 20 0 DCADMM CC(C)SCC(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001415975235 1005639572 /nfs/dbraw/zinc/63/95/72/1005639572.db2.gz XAYQMIGDTIKIMA-UHFFFAOYSA-N -1 1 309.391 0.869 20 0 DCADMM COc1ccc(N2C[C@H](C(=O)N(C)c3nn[n-]n3)CC2=O)cc1 ZINC001417565939 1005844866 /nfs/dbraw/zinc/84/48/66/1005844866.db2.gz HHDIZJDBOOOINL-SECBINFHSA-N -1 1 316.321 0.224 20 0 DCADMM O=C(NC[C@H](c1ccco1)N1CCCC1)c1n[nH]c(=O)[n-]c1=O ZINC001417597093 1005848425 /nfs/dbraw/zinc/84/84/25/1005848425.db2.gz CRWAEXKENZGIQS-SECBINFHSA-N -1 1 319.321 0.443 20 0 DCADMM CN(C)c1nc(CCNC(=O)CCCc2nn[n-]n2)cs1 ZINC001417630062 1005855403 /nfs/dbraw/zinc/85/54/03/1005855403.db2.gz GOBZHRVGCHDCHG-UHFFFAOYSA-N -1 1 309.399 0.404 20 0 DCADMM CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1nn[n-]n1)C(F)F ZINC001417633253 1005856208 /nfs/dbraw/zinc/85/62/08/1005856208.db2.gz BDTFRFRJZWBMAQ-ZCFIWIBFSA-N -1 1 320.300 0.364 20 0 DCADMM CCn1cc(Br)c(C(=O)NCc2nn[n-]n2)n1 ZINC001417634321 1005856360 /nfs/dbraw/zinc/85/63/60/1005856360.db2.gz ZMFVIZYDNYTENY-UHFFFAOYSA-N -1 1 300.120 0.109 20 0 DCADMM Cc1oc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1CO ZINC001417719476 1005875316 /nfs/dbraw/zinc/87/53/16/1005875316.db2.gz IGOZHTRJZGRANY-SECBINFHSA-N -1 1 309.351 0.524 20 0 DCADMM CCC(CC)(NC(=O)[C@@H](OC)c1cnn(C)c1)c1nn[n-]n1 ZINC001417774160 1005887691 /nfs/dbraw/zinc/88/76/91/1005887691.db2.gz NPBMJCOXWZAGLJ-JTQLQIEISA-N -1 1 307.358 0.452 20 0 DCADMM CCC(CC)(NC(=O)[C@@H]1CCCC12OCCO2)c1nn[n-]n1 ZINC001417774163 1005887949 /nfs/dbraw/zinc/88/79/49/1005887949.db2.gz NQZXLHVLUGTTKT-JTQLQIEISA-N -1 1 309.370 0.874 20 0 DCADMM CCC(C)(C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001417849821 1005904317 /nfs/dbraw/zinc/90/43/17/1005904317.db2.gz PUTARQZGJXNYKL-MNOVXSKESA-N -1 1 309.414 0.624 20 0 DCADMM CC(C)OCC(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001508764156 1017005294 /nfs/dbraw/zinc/00/52/94/1017005294.db2.gz MUCXVUQSIKOKOB-NSHDSACASA-N -1 1 309.366 0.789 20 0 DCADMM CCC1(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CCCC1 ZINC001417945468 1005937164 /nfs/dbraw/zinc/93/71/64/1005937164.db2.gz ZAQKILZMQVCQBY-LBPRGKRZSA-N -1 1 321.425 0.769 20 0 DCADMM C[C@@H](CN(C)C(=O)CCCc1nn[n-]n1)C(=O)OC(C)(C)C ZINC001417948891 1005937545 /nfs/dbraw/zinc/93/75/45/1005937545.db2.gz KNVWXEHQUGXWAH-JTQLQIEISA-N -1 1 311.386 0.959 20 0 DCADMM COCC(C)(C)CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001434808147 1005996087 /nfs/dbraw/zinc/99/60/87/1005996087.db2.gz CVEGGCLMCTZNIX-UHFFFAOYSA-N -1 1 324.381 0.727 20 0 DCADMM Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)c2ncccc2[O-])on1 ZINC001435714512 1006086427 /nfs/dbraw/zinc/08/64/27/1006086427.db2.gz YVWUYVQDBQQCJB-JTQLQIEISA-N -1 1 316.317 0.728 20 0 DCADMM O=C(N[C@H](CO)[C@H]1CCCOC1)c1cnc(C2CC2)[n-]c1=O ZINC001451440605 1006175026 /nfs/dbraw/zinc/17/50/26/1006175026.db2.gz ACFRDVKMLURKQT-CMPLNLGQSA-N -1 1 307.350 0.577 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)nc2n1 ZINC001436570374 1006235570 /nfs/dbraw/zinc/23/55/70/1006235570.db2.gz HTEBECDZWKPHDL-HJGDQZAQSA-N -1 1 305.338 0.724 20 0 DCADMM COCC(C)(C)C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001451557086 1006267219 /nfs/dbraw/zinc/26/72/19/1006267219.db2.gz RAWHZMIQHHHWBN-LLVKDONJSA-N -1 1 323.393 0.942 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@H]1CCOC1 ZINC001508821250 1017051401 /nfs/dbraw/zinc/05/14/01/1017051401.db2.gz HKQIVFXUXUDWJA-QWRGUYRKSA-N -1 1 307.350 0.400 20 0 DCADMM CS(C)(=O)=NC(=O)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001451981473 1006539541 /nfs/dbraw/zinc/53/95/41/1006539541.db2.gz OCEVUSLSTRYIOY-UHFFFAOYSA-N -1 1 312.351 0.044 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001439220821 1006597169 /nfs/dbraw/zinc/59/71/69/1006597169.db2.gz KDHBNZFPBFRRRG-INTQDDNPSA-N -1 1 321.406 0.970 20 0 DCADMM Cc1cccc(C(=O)N[C@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)c1 ZINC001439288622 1006659094 /nfs/dbraw/zinc/65/90/94/1006659094.db2.gz DUHJOIIIJIPSSX-GFCCVEGCSA-N -1 1 317.393 0.667 20 0 DCADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)NCc1n[nH]c(=O)[n-]1 ZINC001437250086 1006764404 /nfs/dbraw/zinc/76/44/04/1006764404.db2.gz OUPXPMZALDQOHG-VIFPVBQESA-N -1 1 323.328 0.323 20 0 DCADMM O=C(N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)c1ccc(Cl)[nH]1 ZINC001439477849 1006904110 /nfs/dbraw/zinc/90/41/10/1006904110.db2.gz QLGMWKPOOXTGPT-SECBINFHSA-N -1 1 324.772 0.790 20 0 DCADMM Cc1nnc(CN(C)CCNC(=O)c2ncccc2[O-])s1 ZINC001437452287 1006973658 /nfs/dbraw/zinc/97/36/58/1006973658.db2.gz MKELSUHWPKZUQI-UHFFFAOYSA-N -1 1 307.379 0.809 20 0 DCADMM COC(=O)c1coc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)n1 ZINC001452775545 1007059606 /nfs/dbraw/zinc/05/96/06/1007059606.db2.gz IFOGSIDMNBUYAZ-UHFFFAOYSA-N -1 1 318.289 0.764 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)Cc2ccco2)nc1=O ZINC001437679921 1007249396 /nfs/dbraw/zinc/24/93/96/1007249396.db2.gz TUIIATHVAMRVGU-NSHDSACASA-N -1 1 319.365 0.025 20 0 DCADMM CCC(=O)NCCN(Cc1cc(=O)n2[n-]ccc2n1)C1CC1 ZINC001437765009 1007379377 /nfs/dbraw/zinc/37/93/77/1007379377.db2.gz DRNHQDBQFWGWGR-UHFFFAOYSA-N -1 1 303.366 0.513 20 0 DCADMM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1cnnn1CC ZINC001438307584 1007804239 /nfs/dbraw/zinc/80/42/39/1007804239.db2.gz ZNRNSETUIXKXBR-SNVBAGLBSA-N -1 1 321.385 0.333 20 0 DCADMM C[C@@](CNCc1n[nH]c(=O)[n-]1)(NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1CC1 ZINC001438414714 1007892019 /nfs/dbraw/zinc/89/20/19/1007892019.db2.gz JHWKSCTVQJLGOZ-IQDSPRDJSA-N -1 1 319.409 0.931 20 0 DCADMM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(OC)ns1 ZINC001475182807 1017072430 /nfs/dbraw/zinc/07/24/30/1017072430.db2.gz AVCPLMUYHMINPS-RKDXNWHRSA-N -1 1 322.408 0.624 20 0 DCADMM C[C@H]1CO[C@H](C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CCCC2)C1 ZINC001438605608 1008021357 /nfs/dbraw/zinc/02/13/57/1008021357.db2.gz RSXFTPDNZVAYNG-MNOVXSKESA-N -1 1 323.397 0.454 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)CCc1ccon1 ZINC001440796587 1008031807 /nfs/dbraw/zinc/03/18/07/1008031807.db2.gz DSFINTGDHDCOHY-RKDXNWHRSA-N -1 1 308.342 0.114 20 0 DCADMM CCc1nc[nH]c1C(=O)N[C@@H](C)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001440844214 1008060637 /nfs/dbraw/zinc/06/06/37/1008060637.db2.gz MWOCXHLOVYYLDG-YUMQZZPRSA-N -1 1 307.358 0.092 20 0 DCADMM COc1cccc(C(=O)N[C@@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001440847779 1008065806 /nfs/dbraw/zinc/06/58/06/1008065806.db2.gz HOUUBLYEXLEXDW-UWVGGRQHSA-N -1 1 319.365 0.816 20 0 DCADMM CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001441115622 1008224385 /nfs/dbraw/zinc/22/43/85/1008224385.db2.gz ICCPNUDMMJILRN-MEWQQHAOSA-N -1 1 323.397 0.167 20 0 DCADMM Cc1nn(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(=O)o1 ZINC001441197241 1008264683 /nfs/dbraw/zinc/26/46/83/1008264683.db2.gz TYIDSWUQJSOKID-UHFFFAOYSA-N -1 1 315.289 0.879 20 0 DCADMM C[C@H](CC(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1)n1cccc1 ZINC001441619841 1008428003 /nfs/dbraw/zinc/42/80/03/1008428003.db2.gz HTHMLFSRGFAXIR-NWDGAFQWSA-N -1 1 320.397 0.900 20 0 DCADMM CCn1cccc1C(=O)N(C)C[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001441665945 1008448244 /nfs/dbraw/zinc/44/82/44/1008448244.db2.gz XHYQABJXEWGTPH-SNVBAGLBSA-N -1 1 306.370 0.582 20 0 DCADMM Cc1ccc([C@@H](C)C(=O)NC[C@@H](C)NCc2n[nH]c(=O)[n-]2)o1 ZINC001441973764 1008739688 /nfs/dbraw/zinc/73/96/88/1008739688.db2.gz WNDFPNNBDJHEEX-PSASIEDQSA-N -1 1 307.354 0.810 20 0 DCADMM C[C@@H]1C[C@]1(C(=O)NCc1nc([O-])cc(=O)[nH]1)C(=O)OC(C)(C)C ZINC001454188039 1008984565 /nfs/dbraw/zinc/98/45/65/1008984565.db2.gz DGRNPVFXCYBVQO-GLEZIHRCSA-N -1 1 323.349 0.872 20 0 DCADMM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001454190977 1008988925 /nfs/dbraw/zinc/98/89/25/1008988925.db2.gz SMHJHSHYBNFBSW-VIFPVBQESA-N -1 1 322.365 0.541 20 0 DCADMM Cc1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(C2CC2)n1 ZINC001433663418 1009042447 /nfs/dbraw/zinc/04/24/47/1009042447.db2.gz JIFGDOUBZMMNLZ-GFCCVEGCSA-N -1 1 314.349 0.994 20 0 DCADMM O=C([C@@H]1CCCCC1(F)F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001433666451 1009044937 /nfs/dbraw/zinc/04/49/37/1009044937.db2.gz XOZPEBJKOAQIBZ-DTWKUNHWSA-N -1 1 301.297 0.925 20 0 DCADMM COC[C@H](C)CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001421785908 1009088225 /nfs/dbraw/zinc/08/82/25/1009088225.db2.gz SAKRATAEVHJAFA-SNVBAGLBSA-N -1 1 311.386 0.311 20 0 DCADMM COC(=O)C[C@H](NC(=O)c1cnc(SC)[n-]c1=O)C1CC1 ZINC001433787070 1009178386 /nfs/dbraw/zinc/17/83/86/1009178386.db2.gz GWQCCGHKMVTEAG-VIFPVBQESA-N -1 1 311.363 0.976 20 0 DCADMM CC(C)CCn1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)nn1 ZINC001454555178 1009187500 /nfs/dbraw/zinc/18/75/00/1009187500.db2.gz SQUWUJZCQXVYKK-NSHDSACASA-N -1 1 320.357 0.051 20 0 DCADMM COC(=O)C1(O)CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC001433821620 1009215686 /nfs/dbraw/zinc/21/56/86/1009215686.db2.gz BHMDBZACOPGKFZ-UHFFFAOYSA-N -1 1 321.333 0.200 20 0 DCADMM Cc1nn(C)cc1CCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001433831491 1009226814 /nfs/dbraw/zinc/22/68/14/1009226814.db2.gz IDQJSLMQIHODJE-LBPRGKRZSA-N -1 1 303.370 0.580 20 0 DCADMM O=C(NC1(CNC(=O)[C@@H]2CC2(F)F)CC1)c1ncccc1[O-] ZINC001433886345 1009306183 /nfs/dbraw/zinc/30/61/83/1009306183.db2.gz DIJAMXIVIXNDLM-QMMMGPOBSA-N -1 1 311.288 0.821 20 0 DCADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC[S@](=O)C1 ZINC001433905948 1009333332 /nfs/dbraw/zinc/33/33/32/1009333332.db2.gz LBPXHGAFVHTLLR-FPVGNUTFSA-N -1 1 309.391 0.900 20 0 DCADMM CSc1cccnc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001433936689 1009375071 /nfs/dbraw/zinc/37/50/71/1009375071.db2.gz JHFGPQFCNUYWED-UHFFFAOYSA-N -1 1 320.378 0.440 20 0 DCADMM Cc1nn(C)cc1CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001455070610 1009473215 /nfs/dbraw/zinc/47/32/15/1009473215.db2.gz BOGMXKNAWWZIPM-UHFFFAOYSA-N -1 1 317.349 0.156 20 0 DCADMM CC[C@@H](CC(C)C)C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1 ZINC001442564811 1009477536 /nfs/dbraw/zinc/47/75/36/1009477536.db2.gz KEQBVHIMFWPJJA-LBPRGKRZSA-N -1 1 311.430 0.729 20 0 DCADMM CC(C)(C)OC(=O)[C@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)C1CC1 ZINC001455130825 1009507344 /nfs/dbraw/zinc/50/73/44/1009507344.db2.gz IJELMRZFWDAZOF-MNOVXSKESA-N -1 1 321.381 0.884 20 0 DCADMM COc1ccccc1[C@H](O)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001455130774 1009508677 /nfs/dbraw/zinc/50/86/77/1009508677.db2.gz ICKFDNXQGYGFTK-CABZTGNLSA-N -1 1 303.322 0.258 20 0 DCADMM CCCc1cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc(=O)[nH]1 ZINC001455134269 1009510251 /nfs/dbraw/zinc/51/02/51/1009510251.db2.gz RXYUSGGOVLZFOD-SECBINFHSA-N -1 1 302.338 0.883 20 0 DCADMM CN(CCNC(=O)COC1CCCC1)C(=O)c1ncccc1[O-] ZINC001455174233 1009550828 /nfs/dbraw/zinc/55/08/28/1009550828.db2.gz XRRQETHZCGSYHZ-UHFFFAOYSA-N -1 1 321.377 0.935 20 0 DCADMM Cc1ccn(C)c1C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001455217301 1009591566 /nfs/dbraw/zinc/59/15/66/1009591566.db2.gz PVJNKDRWWFEZMV-UHFFFAOYSA-N -1 1 316.361 0.936 20 0 DCADMM CN(CCN(C)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)Cc1nc(=O)n(C)[n-]1 ZINC001422177893 1009610777 /nfs/dbraw/zinc/61/07/77/1009610777.db2.gz PVVBRABLYFIQET-AGIUHOORSA-N -1 1 321.425 0.435 20 0 DCADMM COc1ccc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)nn1 ZINC001434198288 1009651505 /nfs/dbraw/zinc/65/15/05/1009651505.db2.gz AYRDGIKTGAAOIK-ZETCQYMHSA-N -1 1 309.355 0.223 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cnn2c1CCCC2 ZINC001434279909 1009720966 /nfs/dbraw/zinc/72/09/66/1009720966.db2.gz COOUSOQRRHZGBF-UHFFFAOYSA-N -1 1 315.333 0.689 20 0 DCADMM CC(=O)c1cccc(OCC(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1 ZINC001434315067 1009752458 /nfs/dbraw/zinc/75/24/58/1009752458.db2.gz 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DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccco2)n1 ZINC000822620546 606163213 /nfs/dbraw/zinc/16/32/13/606163213.db2.gz WEOFTBBZVZSWLF-UHFFFAOYSA-N -1 1 302.298 0.557 20 0 DCADMM CC(C)[C@@H](CCO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820020949 606164890 /nfs/dbraw/zinc/16/48/90/606164890.db2.gz NDJRDAUACDHDCC-SECBINFHSA-N -1 1 308.346 0.129 20 0 DCADMM CC(C)[C@@H](CCO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820020949 606164891 /nfs/dbraw/zinc/16/48/91/606164891.db2.gz NDJRDAUACDHDCC-SECBINFHSA-N -1 1 308.346 0.129 20 0 DCADMM CN(Cc1ccon1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821615724 606173009 /nfs/dbraw/zinc/17/30/09/606173009.db2.gz KOCAOVLMNGIPCF-UHFFFAOYSA-N -1 1 303.286 0.252 20 0 DCADMM CN(Cc1ccon1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821615724 606173010 /nfs/dbraw/zinc/17/30/10/606173010.db2.gz KOCAOVLMNGIPCF-UHFFFAOYSA-N -1 1 303.286 0.252 20 0 DCADMM O=c1[nH]c2ccccc2n1CCNc1nccnc1-c1nnn[n-]1 ZINC000823657979 606429783 /nfs/dbraw/zinc/42/97/83/606429783.db2.gz XRZXHCNTMLRXGX-UHFFFAOYSA-N -1 1 323.320 0.824 20 0 DCADMM O=c1[nH]c2ccccc2n1CCNc1nccnc1-c1nn[n-]n1 ZINC000823657979 606429784 /nfs/dbraw/zinc/42/97/84/606429784.db2.gz XRZXHCNTMLRXGX-UHFFFAOYSA-N -1 1 323.320 0.824 20 0 DCADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000821640475 606523379 /nfs/dbraw/zinc/52/33/79/606523379.db2.gz IZUNGNMHLZUMQV-VIFPVBQESA-N -1 1 309.351 0.856 20 0 DCADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000821640475 606523381 /nfs/dbraw/zinc/52/33/81/606523381.db2.gz IZUNGNMHLZUMQV-VIFPVBQESA-N -1 1 309.351 0.856 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCN(C)C1=O ZINC000821622271 606567951 /nfs/dbraw/zinc/56/79/51/606567951.db2.gz XZWBVMLHSHHVDT-ZETCQYMHSA-N -1 1 306.351 0.231 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCN(C)C1=O ZINC000821622271 606567952 /nfs/dbraw/zinc/56/79/52/606567952.db2.gz XZWBVMLHSHHVDT-ZETCQYMHSA-N -1 1 306.351 0.231 20 0 DCADMM Cc1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)no1 ZINC000822200967 606597394 /nfs/dbraw/zinc/59/73/94/606597394.db2.gz LGAYPSVUNHZQOI-UHFFFAOYSA-N -1 1 303.286 0.218 20 0 DCADMM Cc1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)no1 ZINC000822200967 606597396 /nfs/dbraw/zinc/59/73/96/606597396.db2.gz LGAYPSVUNHZQOI-UHFFFAOYSA-N -1 1 303.286 0.218 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCC[C@@H]2O)n1 ZINC000822614405 606597467 /nfs/dbraw/zinc/59/74/67/606597467.db2.gz MTNGRAPPEDGGBF-BDAKNGLRSA-N -1 1 306.330 0.025 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCC[C@@H]2O)n1 ZINC000822614405 606597468 /nfs/dbraw/zinc/59/74/68/606597468.db2.gz MTNGRAPPEDGGBF-BDAKNGLRSA-N -1 1 306.330 0.025 20 0 DCADMM C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820287373 606625309 /nfs/dbraw/zinc/62/53/09/606625309.db2.gz LGDLORCSQKIMIS-KOLCDFICSA-N -1 1 318.337 0.186 20 0 DCADMM C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820287373 606625311 /nfs/dbraw/zinc/62/53/11/606625311.db2.gz LGDLORCSQKIMIS-KOLCDFICSA-N -1 1 318.337 0.186 20 0 DCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1n[nH]c2c1CCC2 ZINC000823440049 606649294 /nfs/dbraw/zinc/64/92/94/606649294.db2.gz AJVJHNMAODPRTF-UHFFFAOYSA-N -1 1 311.305 0.831 20 0 DCADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nnn1C ZINC000822020389 606653471 /nfs/dbraw/zinc/65/34/71/606653471.db2.gz BRZFFPWQRYIHHO-UHFFFAOYSA-N -1 1 300.282 0.056 20 0 DCADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nnn1C ZINC000822020389 606653472 /nfs/dbraw/zinc/65/34/72/606653472.db2.gz BRZFFPWQRYIHHO-UHFFFAOYSA-N -1 1 300.282 0.056 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCCS2)n1 ZINC000822613634 606836668 /nfs/dbraw/zinc/83/66/68/606836668.db2.gz FFWYCOIGRCOQRX-SSDOTTSWSA-N -1 1 308.371 0.617 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCCS2)n1 ZINC000822613634 606836669 /nfs/dbraw/zinc/83/66/69/606836669.db2.gz FFWYCOIGRCOQRX-SSDOTTSWSA-N -1 1 308.371 0.617 20 0 DCADMM Cc1noc(CCCn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)n1 ZINC000822527934 606867293 /nfs/dbraw/zinc/86/72/93/606867293.db2.gz LDFVXZNHWWOGJA-UHFFFAOYSA-N -1 1 316.325 0.364 20 0 DCADMM C[C@@H]1CO[C@H](CO)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820804599 607028809 /nfs/dbraw/zinc/02/88/09/607028809.db2.gz VQJHUOJBOLVGRU-SFYZADRCSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@@H]1CO[C@H](CO)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820804599 607028811 /nfs/dbraw/zinc/02/88/11/607028811.db2.gz VQJHUOJBOLVGRU-SFYZADRCSA-N -1 1 310.745 0.501 20 0 DCADMM Cc1nnc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)o1 ZINC000822510872 607039933 /nfs/dbraw/zinc/03/99/33/607039933.db2.gz XWPXJVDVDMVSBV-UHFFFAOYSA-N -1 1 309.289 0.921 20 0 DCADMM O=C(CCCn1cccn1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822964613 607110325 /nfs/dbraw/zinc/11/03/25/607110325.db2.gz LTYOHZQGWKDQDO-UHFFFAOYSA-N -1 1 304.339 0.939 20 0 DCADMM O=C(CCCn1cccn1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822964613 607110327 /nfs/dbraw/zinc/11/03/27/607110327.db2.gz LTYOHZQGWKDQDO-UHFFFAOYSA-N -1 1 304.339 0.939 20 0 DCADMM c1cn(-c2cccc(Nc3nccnc3-c3nnn[n-]3)c2)nn1 ZINC000823757003 607133488 /nfs/dbraw/zinc/13/34/88/607133488.db2.gz JDMAYFHYNYMVHO-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1cn(-c2cccc(Nc3nccnc3-c3nn[n-]n3)c2)nn1 ZINC000823757003 607133490 /nfs/dbraw/zinc/13/34/90/607133490.db2.gz JDMAYFHYNYMVHO-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM Cc1c(F)cccc1NC(=O)CCn1cnc(-c2nn[n-]n2)n1 ZINC000822034371 607161558 /nfs/dbraw/zinc/16/15/58/607161558.db2.gz AFYDPNBNZRCRII-UHFFFAOYSA-N -1 1 316.300 0.935 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCc2occc21 ZINC000823126723 607206720 /nfs/dbraw/zinc/20/67/20/607206720.db2.gz MAWGHUNQOHBLBF-VIFPVBQESA-N -1 1 314.309 0.245 20 0 DCADMM Cc1ccc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)o1 ZINC000822228754 607208278 /nfs/dbraw/zinc/20/82/78/607208278.db2.gz DXTWNHCEUZJSCH-MRVPVSSYSA-N -1 1 302.298 0.237 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2ccccc2n1 ZINC000823136142 607208407 /nfs/dbraw/zinc/20/84/07/607208407.db2.gz LUAROGWDGYSIEK-UHFFFAOYSA-N -1 1 321.304 0.645 20 0 DCADMM Cc1ccc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000822228705 607210824 /nfs/dbraw/zinc/21/08/24/607210824.db2.gz CTLQILRBMMZXOW-QMMMGPOBSA-N -1 1 318.366 0.706 20 0 DCADMM CCc1cccc2c1N(C(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC000821491925 607211930 /nfs/dbraw/zinc/21/19/30/607211930.db2.gz CVWVDUASZWBDAJ-UHFFFAOYSA-N -1 1 324.348 0.610 20 0 DCADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821040868 607213667 /nfs/dbraw/zinc/21/36/67/607213667.db2.gz TZRRAQYFXCAAIV-MNOVXSKESA-N -1 1 318.385 0.933 20 0 DCADMM C[C@@H]1Cc2ccccc2N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820813240 607214091 /nfs/dbraw/zinc/21/40/91/607214091.db2.gz BRLBPLLNDBMUKY-SNVBAGLBSA-N -1 1 324.348 0.684 20 0 DCADMM CCc1cnc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000821499455 607220199 /nfs/dbraw/zinc/22/01/99/607220199.db2.gz KOPMEHATWVTFBY-UHFFFAOYSA-N -1 1 305.327 0.116 20 0 DCADMM CC(C)CC(C)(C)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820051546 607221860 /nfs/dbraw/zinc/22/18/60/607221860.db2.gz QLWQMYUIZDMBSU-UHFFFAOYSA-N -1 1 306.374 0.647 20 0 DCADMM CC(C)C[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820061509 607222762 /nfs/dbraw/zinc/22/27/62/607222762.db2.gz DRNISCHBTWQEKG-NSHDSACASA-N -1 1 318.385 0.885 20 0 DCADMM C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824699061 607778878 /nfs/dbraw/zinc/77/88/78/607778878.db2.gz PSKXYRVKXBTUPC-ONGXEEELSA-N -1 1 302.338 0.637 20 0 DCADMM C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824699061 607778879 /nfs/dbraw/zinc/77/88/79/607778879.db2.gz PSKXYRVKXBTUPC-ONGXEEELSA-N -1 1 302.338 0.637 20 0 DCADMM COC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000826151996 607779985 /nfs/dbraw/zinc/77/99/85/607779985.db2.gz NWWVMDYSTHGART-MRVPVSSYSA-N -1 1 317.227 0.996 20 0 DCADMM COC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000826151996 607779986 /nfs/dbraw/zinc/77/99/86/607779986.db2.gz NWWVMDYSTHGART-MRVPVSSYSA-N -1 1 317.227 0.996 20 0 DCADMM CS(=O)(=O)CCN(Cc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000826223047 607802266 /nfs/dbraw/zinc/80/22/66/607802266.db2.gz ZEUQILKDIXLWRZ-UHFFFAOYSA-N -1 1 322.394 0.271 20 0 DCADMM CS(=O)(=O)CCN(Cc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000826223047 607802267 /nfs/dbraw/zinc/80/22/67/607802267.db2.gz ZEUQILKDIXLWRZ-UHFFFAOYSA-N -1 1 322.394 0.271 20 0 DCADMM Cn1nccc1C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826366745 607989888 /nfs/dbraw/zinc/98/98/88/607989888.db2.gz VWPIYJKOZQQUHN-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nccc1C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826366745 607989889 /nfs/dbraw/zinc/98/98/89/607989889.db2.gz VWPIYJKOZQQUHN-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM CC[C@@H](C[C@H](C)CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825082764 607994475 /nfs/dbraw/zinc/99/44/75/607994475.db2.gz VMTCRDAAVHWVJX-ONGXEEELSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@@H](C[C@H](C)CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825082764 607994476 /nfs/dbraw/zinc/99/44/76/607994476.db2.gz VMTCRDAAVHWVJX-ONGXEEELSA-N -1 1 304.354 0.789 20 0 DCADMM C[C@H](CO)CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824437030 608007790 /nfs/dbraw/zinc/00/77/90/608007790.db2.gz XHIMCUUBRMQKCM-QMMMGPOBSA-N -1 1 308.346 0.130 20 0 DCADMM C[C@H](CO)CCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824437030 608007791 /nfs/dbraw/zinc/00/77/91/608007791.db2.gz XHIMCUUBRMQKCM-QMMMGPOBSA-N -1 1 308.346 0.130 20 0 DCADMM CC1(C)C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C(=O)O1 ZINC000824790699 608075255 /nfs/dbraw/zinc/07/52/55/608075255.db2.gz PDUMWEGNIWNYSZ-ZCFIWIBFSA-N -1 1 307.335 0.752 20 0 DCADMM CC1(C)C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C(=O)O1 ZINC000824790699 608075256 /nfs/dbraw/zinc/07/52/56/608075256.db2.gz PDUMWEGNIWNYSZ-ZCFIWIBFSA-N -1 1 307.335 0.752 20 0 DCADMM CCCC[C@H](CC)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000825261096 608096261 /nfs/dbraw/zinc/09/62/61/608096261.db2.gz UAJACXZDXLVSNR-JTQLQIEISA-N -1 1 306.370 0.944 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCC(=O)NC1CCCC1 ZINC000826395005 608120164 /nfs/dbraw/zinc/12/01/64/608120164.db2.gz ITBIKLKECNXEHV-UHFFFAOYSA-N -1 1 318.341 0.125 20 0 DCADMM Clc1nsc(N2CCC3(C2)OCCO3)c1-c1nnn[n-]1 ZINC000826353841 608184349 /nfs/dbraw/zinc/18/43/49/608184349.db2.gz GCSHZVGHZQOXBC-UHFFFAOYSA-N -1 1 314.758 0.930 20 0 DCADMM Clc1nsc(N2CCC3(C2)OCCO3)c1-c1nn[n-]n1 ZINC000826353841 608184350 /nfs/dbraw/zinc/18/43/50/608184350.db2.gz GCSHZVGHZQOXBC-UHFFFAOYSA-N -1 1 314.758 0.930 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(NC[C@@H]2COC3(CCCC3)O2)n1 ZINC000826525030 608295016 /nfs/dbraw/zinc/29/50/16/608295016.db2.gz SWOBDSFMTKSPGT-SECBINFHSA-N -1 1 303.326 0.754 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(NC[C@@H]2COC3(CCCC3)O2)n1 ZINC000826525030 608295017 /nfs/dbraw/zinc/29/50/17/608295017.db2.gz SWOBDSFMTKSPGT-SECBINFHSA-N -1 1 303.326 0.754 20 0 DCADMM CN(CC(=O)NCc1ccco1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825892496 608390128 /nfs/dbraw/zinc/39/01/28/608390128.db2.gz MTICTYWALRGPHI-UHFFFAOYSA-N -1 1 314.309 0.002 20 0 DCADMM CN(CC(=O)NCc1ccco1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825892496 608390130 /nfs/dbraw/zinc/39/01/30/608390130.db2.gz MTICTYWALRGPHI-UHFFFAOYSA-N -1 1 314.309 0.002 20 0 DCADMM c1cn(-c2cc(CNc3ccc(-c4nnn[n-]4)nn3)ccn2)cn1 ZINC000826525143 608408190 /nfs/dbraw/zinc/40/81/90/608408190.db2.gz YMAJFHVXXAOKHE-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cn(-c2cc(CNc3ccc(-c4nn[n-]n4)nn3)ccn2)cn1 ZINC000826525143 608408192 /nfs/dbraw/zinc/40/81/92/608408192.db2.gz YMAJFHVXXAOKHE-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM CC(C)[C@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824191876 608559648 /nfs/dbraw/zinc/55/96/48/608559648.db2.gz HLBPDQKLGUDQBX-VIFPVBQESA-N -1 1 320.401 0.855 20 0 DCADMM CC(C)[C@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824191876 608559650 /nfs/dbraw/zinc/55/96/50/608559650.db2.gz HLBPDQKLGUDQBX-VIFPVBQESA-N -1 1 320.401 0.855 20 0 DCADMM COc1ccc(F)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826208954 608581630 /nfs/dbraw/zinc/58/16/30/608581630.db2.gz HHXKOTASLVGQQZ-UHFFFAOYSA-N -1 1 318.272 0.245 20 0 DCADMM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)o2)CCS1(=O)=O ZINC000824808514 608729950 /nfs/dbraw/zinc/72/99/50/608729950.db2.gz 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COC[C@@H](NCc1cnc2c(C(=O)[O-])cnn2c1)[C@@H]1CCCO1 ZINC001573968547 1163612554 /nfs/dbraw/zinc/61/25/54/1163612554.db2.gz IQYWBWHPNMQCKW-OLZOCXBDSA-N -1 1 320.349 0.711 20 0 DCADMM COCCN(C)c1ccc(C[NH2+]Cc2nc(C(=O)[O-])n[n-]2)cn1 ZINC001573984234 1163616887 /nfs/dbraw/zinc/61/68/87/1163616887.db2.gz OCBSVBNVGIROBM-UHFFFAOYSA-N -1 1 320.353 0.270 20 0 DCADMM CC(C)[C@H](C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574003313 1163621879 /nfs/dbraw/zinc/62/18/79/1163621879.db2.gz AJNBMWFJJVXESC-JTQLQIEISA-N -1 1 318.385 0.501 20 0 DCADMM CC(C)[C@H](C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574003313 1163621881 /nfs/dbraw/zinc/62/18/81/1163621881.db2.gz AJNBMWFJJVXESC-JTQLQIEISA-N -1 1 318.385 0.501 20 0 DCADMM CSC[C@@H](NC(=O)c1ccc(Cc2nc[nH]n2)cc1)C(=O)[O-] ZINC001574096951 1163633636 /nfs/dbraw/zinc/63/36/36/1163633636.db2.gz VKFPNJDPZZIBNO-LLVKDONJSA-N -1 1 320.374 0.942 20 0 DCADMM Cc1nc([C@@H](C)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)n[nH]1 ZINC001574179794 1163652312 /nfs/dbraw/zinc/65/23/12/1163652312.db2.gz WIWJHYDMMLIUQW-SECBINFHSA-N -1 1 309.370 0.429 20 0 DCADMM Nc1cn[nH]c1[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC001574292215 1163685696 /nfs/dbraw/zinc/68/56/96/1163685696.db2.gz XKOKLQKBIXOGMK-UWVGGRQHSA-N -1 1 307.354 0.698 20 0 DCADMM O=C([O-])[C@@H](NC(=O)c1cccc(F)c1O)[C@@H](O)c1cccnc1 ZINC001574308614 1163692501 /nfs/dbraw/zinc/69/25/01/1163692501.db2.gz MMWKMRWQSWPZJN-RYUDHWBXSA-N -1 1 320.276 0.843 20 0 DCADMM O=C([O-])[C@]1(CNC(=O)c2cncc3nc[nH]c32)CCCOC1 ZINC001574322946 1163696874 /nfs/dbraw/zinc/69/68/74/1163696874.db2.gz ZENQNMCSLMKKGH-AWEZNQCLSA-N -1 1 304.306 0.569 20 0 DCADMM O=C([O-])C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CC[C@@H](c2nnn[n-]2)C1 ZINC001574371582 1163708026 /nfs/dbraw/zinc/70/80/26/1163708026.db2.gz GKVOJNPLBMRFLM-UHIISALHSA-N -1 1 309.370 0.385 20 0 DCADMM O=C([O-])C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CC[C@@H](c2nnn[n-]2)C1 ZINC001574371582 1163708035 /nfs/dbraw/zinc/70/80/35/1163708035.db2.gz GKVOJNPLBMRFLM-UHIISALHSA-N -1 1 309.370 0.385 20 0 DCADMM CC(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574540047 1163730526 /nfs/dbraw/zinc/73/05/26/1163730526.db2.gz DCIASXDCIRSVGU-NXEZZACHSA-N -1 1 318.385 0.430 20 0 DCADMM CC(C)C(=O)N[C@H](C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001574579859 1163732519 /nfs/dbraw/zinc/73/25/19/1163732519.db2.gz PTSFHEFAOYMLLY-SNVBAGLBSA-N -1 1 318.385 0.431 20 0 DCADMM C[C@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C ZINC001574803347 1163756713 /nfs/dbraw/zinc/75/67/13/1163756713.db2.gz LJLIOYXDSPTLSD-OPRDCNLKSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)C ZINC001574811729 1163758243 /nfs/dbraw/zinc/75/82/43/1163758243.db2.gz WTIPUALWDFXYQM-SECBINFHSA-N -1 1 318.385 0.644 20 0 DCADMM C[C@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C ZINC001574811729 1163758249 /nfs/dbraw/zinc/75/82/49/1163758249.db2.gz WTIPUALWDFXYQM-SECBINFHSA-N -1 1 318.385 0.644 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574839553 1163767056 /nfs/dbraw/zinc/76/70/56/1163767056.db2.gz DLKKDKFETCGLSJ-GZMMTYOYSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574839553 1163767062 /nfs/dbraw/zinc/76/70/62/1163767062.db2.gz DLKKDKFETCGLSJ-GZMMTYOYSA-N -1 1 322.348 0.567 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574846742 1163769325 /nfs/dbraw/zinc/76/93/25/1163769325.db2.gz WPCIWLKLXHKUOR-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574846742 1163769333 /nfs/dbraw/zinc/76/93/33/1163769333.db2.gz WPCIWLKLXHKUOR-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC(C)c1n[nH]cc1C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001575060034 1163873445 /nfs/dbraw/zinc/87/34/45/1163873445.db2.gz YNXXSSYQHSRHQS-UHFFFAOYSA-N -1 1 317.349 0.794 20 0 DCADMM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001575304053 1163967896 /nfs/dbraw/zinc/96/78/96/1163967896.db2.gz QOOMMIMYXGFPPR-QMMMGPOBSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001575304053 1163967900 /nfs/dbraw/zinc/96/79/00/1163967900.db2.gz QOOMMIMYXGFPPR-QMMMGPOBSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@H](O)[C@@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001575475636 1164027374 /nfs/dbraw/zinc/02/73/74/1164027374.db2.gz XJTZSVMMKXAKQK-KWQFWETISA-N -1 1 321.312 0.228 20 0 DCADMM C[C@H](O)[C@@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001575475636 1164027382 /nfs/dbraw/zinc/02/73/82/1164027382.db2.gz XJTZSVMMKXAKQK-KWQFWETISA-N -1 1 321.312 0.228 20 0 DCADMM O=C(COCC(F)F)NCCCNC(=O)c1ncccc1[O-] ZINC001575795058 1164154501 /nfs/dbraw/zinc/15/45/01/1164154501.db2.gz QYHMMSCGGZHJCM-UHFFFAOYSA-N -1 1 317.292 0.305 20 0 DCADMM CCC(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1 ZINC001576410516 1164332983 /nfs/dbraw/zinc/33/29/83/1164332983.db2.gz JZTVMCFMNXZVKF-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCC(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1 ZINC001576410516 1164332991 /nfs/dbraw/zinc/33/29/91/1164332991.db2.gz JZTVMCFMNXZVKF-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576415032 1164333396 /nfs/dbraw/zinc/33/33/96/1164333396.db2.gz ICUPRUWFJDOMMT-CQSZACIVSA-N -1 1 316.369 0.139 20 0 DCADMM CCC(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576415413 1164335337 /nfs/dbraw/zinc/33/53/37/1164335337.db2.gz SIXLFNCQNSBLKR-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576415413 1164335346 /nfs/dbraw/zinc/33/53/46/1164335346.db2.gz SIXLFNCQNSBLKR-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001576420710 1164338232 /nfs/dbraw/zinc/33/82/32/1164338232.db2.gz CAHVMFMHFAKACU-VHSXEESVSA-N -1 1 314.353 0.104 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001576430891 1164340965 /nfs/dbraw/zinc/34/09/65/1164340965.db2.gz WUTVUMVQHLQBKH-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001576430891 1164340970 /nfs/dbraw/zinc/34/09/70/1164340970.db2.gz WUTVUMVQHLQBKH-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001576444422 1164347997 /nfs/dbraw/zinc/34/79/97/1164347997.db2.gz HBTADOZUDVANNT-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1CC ZINC001576477135 1164356906 /nfs/dbraw/zinc/35/69/06/1164356906.db2.gz FLQDBOCKOIKZFB-GXSJLCMTSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1CC ZINC001576477135 1164356912 /nfs/dbraw/zinc/35/69/12/1164356912.db2.gz FLQDBOCKOIKZFB-GXSJLCMTSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001576475671 1164357215 /nfs/dbraw/zinc/35/72/15/1164357215.db2.gz HAMXJTSQIIKSGO-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001576475671 1164357223 /nfs/dbraw/zinc/35/72/23/1164357223.db2.gz HAMXJTSQIIKSGO-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576565464 1164393593 /nfs/dbraw/zinc/39/35/93/1164393593.db2.gz WUIINTMLEKIAFT-SNVBAGLBSA-N -1 1 318.385 0.597 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576565464 1164393600 /nfs/dbraw/zinc/39/36/00/1164393600.db2.gz WUIINTMLEKIAFT-SNVBAGLBSA-N -1 1 318.385 0.597 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576589727 1164406482 /nfs/dbraw/zinc/40/64/82/1164406482.db2.gz NBLBLRWQUMAASM-VHSXEESVSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](CNC(=O)CC1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576804425 1164470055 /nfs/dbraw/zinc/47/00/55/1164470055.db2.gz SEZOUCUQMIBBIC-SNVBAGLBSA-N -1 1 316.369 0.185 20 0 DCADMM CC[C@@H](F)C(=O)NCCN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001576960740 1164559210 /nfs/dbraw/zinc/55/92/10/1164559210.db2.gz ZRNAIMBCSUTKSV-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM CC[C@@H](F)C(=O)NCCN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001576960740 1164559215 /nfs/dbraw/zinc/55/92/15/1164559215.db2.gz ZRNAIMBCSUTKSV-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576966863 1164562044 /nfs/dbraw/zinc/56/20/44/1164562044.db2.gz YURWKQHVRALLST-BDAKNGLRSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576966863 1164562052 /nfs/dbraw/zinc/56/20/52/1164562052.db2.gz YURWKQHVRALLST-BDAKNGLRSA-N -1 1 322.348 0.630 20 0 DCADMM COC[C@@H](C)C(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001576975661 1164567618 /nfs/dbraw/zinc/56/76/18/1164567618.db2.gz ZSWMHNWBBZWEFM-LLVKDONJSA-N -1 1 309.366 0.648 20 0 DCADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001577174082 1164620094 /nfs/dbraw/zinc/62/00/94/1164620094.db2.gz WXBBOQQNNMKMNK-QWRGUYRKSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001577174082 1164620101 /nfs/dbraw/zinc/62/01/01/1164620101.db2.gz WXBBOQQNNMKMNK-QWRGUYRKSA-N -1 1 316.369 0.716 20 0 DCADMM CC/C=C(/C)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001577183124 1164625948 /nfs/dbraw/zinc/62/59/48/1164625948.db2.gz WOCZTIAYWFFQJD-BSKOKIOFSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C=C(/C)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001577183124 1164625955 /nfs/dbraw/zinc/62/59/55/1164625955.db2.gz WOCZTIAYWFFQJD-BSKOKIOFSA-N -1 1 316.369 0.930 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001577187798 1164628072 /nfs/dbraw/zinc/62/80/72/1164628072.db2.gz LPLVOPDSXRCQAW-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001577187798 1164628077 /nfs/dbraw/zinc/62/80/77/1164628077.db2.gz LPLVOPDSXRCQAW-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001577195684 1164631673 /nfs/dbraw/zinc/63/16/73/1164631673.db2.gz XSXYVQZNFISESN-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001577195684 1164631675 /nfs/dbraw/zinc/63/16/75/1164631675.db2.gz XSXYVQZNFISESN-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CCN(C(=O)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001577804380 1164802089 /nfs/dbraw/zinc/80/20/89/1164802089.db2.gz GSDQNHYVENDFSU-UHFFFAOYSA-N -1 1 324.348 0.544 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@@H]1C)c1ccc(-c2nnn[n-]2)nn1 ZINC001577941465 1164852331 /nfs/dbraw/zinc/85/23/31/1164852331.db2.gz MLPANLPIVBPRLJ-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@@H]1C)c1ccc(-c2nn[n-]n2)nn1 ZINC001577941465 1164852337 /nfs/dbraw/zinc/85/23/37/1164852337.db2.gz MLPANLPIVBPRLJ-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)CC1CC1)c1nccnc1-c1nnn[n-]1 ZINC001577959071 1164863282 /nfs/dbraw/zinc/86/32/82/1164863282.db2.gz XISVMESGCSFKHM-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)CC1CC1)c1nccnc1-c1nn[n-]n1 ZINC001577959071 1164863285 /nfs/dbraw/zinc/86/32/85/1164863285.db2.gz XISVMESGCSFKHM-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(C)=O)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001578105101 1164924240 /nfs/dbraw/zinc/92/42/40/1164924240.db2.gz LFMXOBGAMVRGGQ-UHFFFAOYSA-N -1 1 315.790 0.939 20 0 DCADMM CCN(CCNC(C)=O)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001578105101 1164924245 /nfs/dbraw/zinc/92/42/45/1164924245.db2.gz LFMXOBGAMVRGGQ-UHFFFAOYSA-N -1 1 315.790 0.939 20 0 DCADMM CCN(CCNc1nccnc1-c1nnn[n-]1)C(=O)[C@H]1C[C@H]1C ZINC001578165710 1164941519 /nfs/dbraw/zinc/94/15/19/1164941519.db2.gz SQIOCSALKBQKHP-ZJUUUORDSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1nccnc1-c1nn[n-]n1)C(=O)[C@H]1C[C@H]1C ZINC001578165710 1164941523 /nfs/dbraw/zinc/94/15/23/1164941523.db2.gz SQIOCSALKBQKHP-ZJUUUORDSA-N -1 1 316.369 0.573 20 0 DCADMM CCOC(=O)[C@@H]1[C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C[C@@H]21 ZINC001578251040 1164962295 /nfs/dbraw/zinc/96/22/95/1164962295.db2.gz WOACFKSYAWEMQD-GBIKHYSHSA-N -1 1 314.349 0.897 20 0 DCADMM CCOC(=O)[C@@H]1[C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C[C@@H]21 ZINC001578251040 1164962301 /nfs/dbraw/zinc/96/23/01/1164962301.db2.gz WOACFKSYAWEMQD-GBIKHYSHSA-N -1 1 314.349 0.897 20 0 DCADMM CCO[C@H]1COCC[C@H]1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001578341303 1164977167 /nfs/dbraw/zinc/97/71/67/1164977167.db2.gz QWRXXWOOLYTKAB-WPRPVWTQSA-N -1 1 321.341 0.360 20 0 DCADMM CCO[C@H]1COCC[C@H]1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001578341303 1164977171 /nfs/dbraw/zinc/97/71/71/1164977171.db2.gz QWRXXWOOLYTKAB-WPRPVWTQSA-N -1 1 321.341 0.360 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@](C)(NC(C)=O)C2)n1 ZINC001578579965 1165066444 /nfs/dbraw/zinc/06/64/44/1165066444.db2.gz AGAFCWQYCFENKF-AWEZNQCLSA-N -1 1 316.369 0.324 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@](C)(NC(C)=O)C2)n1 ZINC001578579965 1165066449 /nfs/dbraw/zinc/06/64/49/1165066449.db2.gz AGAFCWQYCFENKF-AWEZNQCLSA-N -1 1 316.369 0.324 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCc3[nH]nc(N)c3C2)n1 ZINC001578595654 1165066884 /nfs/dbraw/zinc/06/68/84/1165066884.db2.gz ARZBAWKZOFNQFZ-UHFFFAOYSA-N -1 1 312.341 0.087 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCc3[nH]nc(N)c3C2)n1 ZINC001578595654 1165066891 /nfs/dbraw/zinc/06/68/91/1165066891.db2.gz ARZBAWKZOFNQFZ-UHFFFAOYSA-N -1 1 312.341 0.087 20 0 DCADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001578638457 1165071927 /nfs/dbraw/zinc/07/19/27/1165071927.db2.gz KBBSUUCVKKOHDP-PSASIEDQSA-N -1 1 316.369 0.640 20 0 DCADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001578638457 1165071932 /nfs/dbraw/zinc/07/19/32/1165071932.db2.gz KBBSUUCVKKOHDP-PSASIEDQSA-N -1 1 316.369 0.640 20 0 DCADMM CCc1nc(N[C@@H]2CN(C(C)=O)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001578645956 1165075921 /nfs/dbraw/zinc/07/59/21/1165075921.db2.gz ZBFZCEPNTWGMKW-LDYMZIIASA-N -1 1 316.369 0.498 20 0 DCADMM CCc1nc(N[C@@H]2CN(C(C)=O)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001578645956 1165075924 /nfs/dbraw/zinc/07/59/24/1165075924.db2.gz ZBFZCEPNTWGMKW-LDYMZIIASA-N -1 1 316.369 0.498 20 0 DCADMM CCn1cc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cn1 ZINC001578759757 1165098054 /nfs/dbraw/zinc/09/80/54/1165098054.db2.gz VMGZAMDLEILDLQ-UHFFFAOYSA-N -1 1 314.309 0.744 20 0 DCADMM CN(C(=O)C1CC1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001578848752 1165139739 /nfs/dbraw/zinc/13/97/39/1165139739.db2.gz QFRDHMYNJDWZMB-SNVBAGLBSA-N -1 1 314.353 0.104 20 0 DCADMM CN(C(=O)C1CC1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001578848752 1165139745 /nfs/dbraw/zinc/13/97/45/1165139745.db2.gz QFRDHMYNJDWZMB-SNVBAGLBSA-N -1 1 314.353 0.104 20 0 DCADMM CN(C(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCC[C@H]1O ZINC001578926542 1165161552 /nfs/dbraw/zinc/16/15/52/1165161552.db2.gz MYLUZGSPYPCJQW-GHMZBOCLSA-N -1 1 305.313 0.991 20 0 DCADMM CN(C(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCC[C@H]1O ZINC001578926542 1165161557 /nfs/dbraw/zinc/16/15/57/1165161557.db2.gz MYLUZGSPYPCJQW-GHMZBOCLSA-N -1 1 305.313 0.991 20 0 DCADMM CN(C(=O)c1cnn2cccnc12)c1ccc(-c2nn[n-]n2)nc1 ZINC001578944321 1165166279 /nfs/dbraw/zinc/16/62/79/1165166279.db2.gz FURIDDVLWXINGC-UHFFFAOYSA-N -1 1 321.304 0.581 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CC12CC2 ZINC001579128224 1165217383 /nfs/dbraw/zinc/21/73/83/1165217383.db2.gz IWBOAKUWZXRVPW-MRVPVSSYSA-N -1 1 316.369 0.363 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CC12CC2 ZINC001579128224 1165217385 /nfs/dbraw/zinc/21/73/85/1165217385.db2.gz IWBOAKUWZXRVPW-MRVPVSSYSA-N -1 1 316.369 0.363 20 0 DCADMM CN(CCNC(=O)CC1CC1)c1nccnc1-c1nnn[n-]1 ZINC001579175375 1165230590 /nfs/dbraw/zinc/23/05/90/1165230590.db2.gz BJOSWOCJVZJBFC-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CN(CCNC(=O)CC1CC1)c1nccnc1-c1nn[n-]n1 ZINC001579175375 1165230600 /nfs/dbraw/zinc/23/06/00/1165230600.db2.gz BJOSWOCJVZJBFC-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CN(CCNC(=O)c1ccoc1)c1nccnc1-c1nnn[n-]1 ZINC001579201079 1165235896 /nfs/dbraw/zinc/23/58/96/1165235896.db2.gz BGGOLLHOZBEFRT-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN(CCNC(=O)c1ccoc1)c1nccnc1-c1nn[n-]n1 ZINC001579201079 1165235905 /nfs/dbraw/zinc/23/59/05/1165235905.db2.gz BGGOLLHOZBEFRT-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)[C@H]1CC12CC2 ZINC001579218923 1165242451 /nfs/dbraw/zinc/24/24/51/1165242451.db2.gz FVRXCLBQRUICPP-SECBINFHSA-N -1 1 314.353 0.327 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)[C@H]1CC12CC2 ZINC001579218923 1165242462 /nfs/dbraw/zinc/24/24/62/1165242462.db2.gz FVRXCLBQRUICPP-SECBINFHSA-N -1 1 314.353 0.327 20 0 DCADMM CN1C(=O)Cc2cc(CNc3ncncc3-c3nn[n-]n3)ccc21 ZINC001579308180 1165267158 /nfs/dbraw/zinc/26/71/58/1165267158.db2.gz FVOVSCYLLUNPMH-UHFFFAOYSA-N -1 1 322.332 0.788 20 0 DCADMM CO[C@@H]1CC[C@H]1N(C)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001579614232 1165359703 /nfs/dbraw/zinc/35/97/03/1165359703.db2.gz DGQBCSNGWOXYGH-NXEZZACHSA-N -1 1 318.337 0.525 20 0 DCADMM COC[C@@]1(C)CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC001579739477 1165384735 /nfs/dbraw/zinc/38/47/35/1165384735.db2.gz BOFZIKVIMIGELT-AWEZNQCLSA-N -1 1 320.353 0.591 20 0 DCADMM COC[C@@]1(C)CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC001579739477 1165384740 /nfs/dbraw/zinc/38/47/40/1165384740.db2.gz BOFZIKVIMIGELT-AWEZNQCLSA-N -1 1 320.353 0.591 20 0 DCADMM COc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)ncn1 ZINC001579890560 1165425117 /nfs/dbraw/zinc/42/51/17/1165425117.db2.gz OKFKFOVSOXAVSN-UHFFFAOYSA-N -1 1 312.293 0.337 20 0 DCADMM COc1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n(C)n1 ZINC001579935464 1165442649 /nfs/dbraw/zinc/44/26/49/1165442649.db2.gz ZNLAFHWEANLFQA-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n(C)n1 ZINC001579935464 1165442652 /nfs/dbraw/zinc/44/26/52/1165442652.db2.gz ZNLAFHWEANLFQA-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1cccc([C@H](O)CNc2ncncc2-c2nn[n-]n2)c1 ZINC001580064660 1165489824 /nfs/dbraw/zinc/48/98/24/1165489824.db2.gz YRYFZXGUZAAFGY-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM COc1cccc(OCCn2cnc(-c3nn[n-]n3)cc2=O)c1 ZINC001580074981 1165492950 /nfs/dbraw/zinc/49/29/50/1165492950.db2.gz SOXPVZSJYCPYLN-UHFFFAOYSA-N -1 1 314.305 0.511 20 0 DCADMM COc1ccnc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)c1 ZINC001580095526 1165501265 /nfs/dbraw/zinc/50/12/65/1165501265.db2.gz YTPYGNMZFUKVHB-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ccnc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)c1 ZINC001580095526 1165501271 /nfs/dbraw/zinc/50/12/71/1165501271.db2.gz YTPYGNMZFUKVHB-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CC12CC2 ZINC001580285606 1165557903 /nfs/dbraw/zinc/55/79/03/1165557903.db2.gz FDCMQWAUZJJHAM-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CC12CC2 ZINC001580285606 1165557912 /nfs/dbraw/zinc/55/79/12/1165557912.db2.gz FDCMQWAUZJJHAM-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC1CCC1 ZINC001580291409 1165559601 /nfs/dbraw/zinc/55/96/01/1165559601.db2.gz ZGOZQPLBOWHPDN-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1 ZINC001580290586 1165560245 /nfs/dbraw/zinc/56/02/45/1165560245.db2.gz LUOGMXZSOOECJL-JTQLQIEISA-N -1 1 324.348 0.309 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CC12CC2 ZINC001580293565 1165561416 /nfs/dbraw/zinc/56/14/16/1165561416.db2.gz HTWHKVHAZDDDIN-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC12CC2 ZINC001580293565 1165561420 /nfs/dbraw/zinc/56/14/20/1165561420.db2.gz HTWHKVHAZDDDIN-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1C[C@@H]1C ZINC001580302536 1165563259 /nfs/dbraw/zinc/56/32/59/1165563259.db2.gz BVDCZWVJPIXPDN-CIUDSAMLSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1C[C@@H]1C ZINC001580302536 1165563264 /nfs/dbraw/zinc/56/32/64/1165563264.db2.gz BVDCZWVJPIXPDN-CIUDSAMLSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CC12CC2 ZINC001580300753 1165563466 /nfs/dbraw/zinc/56/34/66/1165563466.db2.gz XZWCCGDLKUSLGN-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CC12CC2 ZINC001580300753 1165563475 /nfs/dbraw/zinc/56/34/75/1165563475.db2.gz XZWCCGDLKUSLGN-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)C1CC1 ZINC001580357993 1165582651 /nfs/dbraw/zinc/58/26/51/1165582651.db2.gz WOPHFVGDWITAEZ-LDYMZIIASA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C1CC1 ZINC001580357993 1165582653 /nfs/dbraw/zinc/58/26/53/1165582653.db2.gz WOPHFVGDWITAEZ-LDYMZIIASA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001580368061 1165587111 /nfs/dbraw/zinc/58/71/11/1165587111.db2.gz TXTXPLJCSYHWGG-OPRDCNLKSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001580368061 1165587117 /nfs/dbraw/zinc/58/71/17/1165587117.db2.gz TXTXPLJCSYHWGG-OPRDCNLKSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@](O)(C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001580389712 1165591175 /nfs/dbraw/zinc/59/11/75/1165591175.db2.gz LCUIVFNWAHCNTE-INIZCTEOSA-N -1 1 324.344 0.786 20 0 DCADMM C[C@@](O)(C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001580389712 1165591183 /nfs/dbraw/zinc/59/11/83/1165591183.db2.gz LCUIVFNWAHCNTE-INIZCTEOSA-N -1 1 324.344 0.786 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1CCC1 ZINC001580413785 1165595967 /nfs/dbraw/zinc/59/59/67/1165595967.db2.gz YIEGGZAXQYZDQS-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1CCC1 ZINC001580413785 1165595972 /nfs/dbraw/zinc/59/59/72/1165595972.db2.gz YIEGGZAXQYZDQS-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM Cc1c(Cl)c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nn1C ZINC001580552494 1165637113 /nfs/dbraw/zinc/63/71/13/1165637113.db2.gz JVBFPWMZFTYPST-UHFFFAOYSA-N -1 1 321.732 0.548 20 0 DCADMM Cc1c(Cl)c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nn1C ZINC001580552494 1165637115 /nfs/dbraw/zinc/63/71/15/1165637115.db2.gz JVBFPWMZFTYPST-UHFFFAOYSA-N -1 1 321.732 0.548 20 0 DCADMM Cc1c(Cl)c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)nn1C ZINC001580553055 1165637539 /nfs/dbraw/zinc/63/75/39/1165637539.db2.gz WVFJXGFKABSXRO-UHFFFAOYSA-N -1 1 307.705 0.537 20 0 DCADMM Cc1c(Cl)c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)nn1C ZINC001580553055 1165637544 /nfs/dbraw/zinc/63/75/44/1165637544.db2.gz WVFJXGFKABSXRO-UHFFFAOYSA-N -1 1 307.705 0.537 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@H](O)[C@@H]1C ZINC001580596809 1165649853 /nfs/dbraw/zinc/64/98/53/1165649853.db2.gz DNJJRPBWXDIZBZ-WPRPVWTQSA-N -1 1 318.337 0.261 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@](C)(CO)C1CC1 ZINC001580601801 1165651803 /nfs/dbraw/zinc/65/18/03/1165651803.db2.gz YIEHQYHMXVVCPZ-CQSZACIVSA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](CO)CC(C)C ZINC001580606777 1165654156 /nfs/dbraw/zinc/65/41/56/1165654156.db2.gz NZKAZXXBMHVPQU-VIFPVBQESA-N -1 1 320.353 0.413 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)NC(=O)C(C)(C)F)n1 ZINC001580749537 1165709426 /nfs/dbraw/zinc/70/94/26/1165709426.db2.gz JSBHYYVKFWMLRA-QMMMGPOBSA-N -1 1 322.348 0.630 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)NC(=O)C(C)(C)F)n1 ZINC001580749537 1165709428 /nfs/dbraw/zinc/70/94/28/1165709428.db2.gz JSBHYYVKFWMLRA-QMMMGPOBSA-N -1 1 322.348 0.630 20 0 DCADMM Cc1ccn(Cc2ccc3nonc3c2)c(=O)c1-c1nn[n-]n1 ZINC001581275072 1165808656 /nfs/dbraw/zinc/80/86/56/1165808656.db2.gz LUUCPLQWYLVYKD-UHFFFAOYSA-N -1 1 309.289 0.921 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cccn3nccc23)c1-c1nnn[n-]1 ZINC001581594954 1165846637 /nfs/dbraw/zinc/84/66/37/1165846637.db2.gz MDAMIXGYBJDCDU-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cccn3nccc23)c1-c1nn[n-]n1 ZINC001581594954 1165846645 /nfs/dbraw/zinc/84/66/45/1165846645.db2.gz MDAMIXGYBJDCDU-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1noc([C@@H]2OCC[C@@H]2Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001581637622 1165854552 /nfs/dbraw/zinc/85/45/52/1165854552.db2.gz RSPRCCDPEQFGEQ-GZMMTYOYSA-N -1 1 314.309 0.895 20 0 DCADMM Cc1noc([C@@H]2OCC[C@@H]2Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001581637622 1165854557 /nfs/dbraw/zinc/85/45/57/1165854557.db2.gz RSPRCCDPEQFGEQ-GZMMTYOYSA-N -1 1 314.309 0.895 20 0 DCADMM Cc1nsc(N(C)CCNC(=O)[C@H]2C[C@@H]2C)c1-c1nn[n-]n1 ZINC001581664519 1165856452 /nfs/dbraw/zinc/85/64/52/1165856452.db2.gz ZTOYIFWFIQPLMA-CBAPKCEASA-N -1 1 321.410 0.840 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCOC[C@@H]2CCCO2)n1 ZINC001581753635 1165867095 /nfs/dbraw/zinc/86/70/95/1165867095.db2.gz MUKQMWCOLOXTDK-VIFPVBQESA-N -1 1 321.341 0.124 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCOC[C@@H]2CCCO2)n1 ZINC001581753635 1165867102 /nfs/dbraw/zinc/86/71/02/1165867102.db2.gz MUKQMWCOLOXTDK-VIFPVBQESA-N -1 1 321.341 0.124 20 0 DCADMM Fc1cccc(-n2ccc(Cn3cc(-c4nn[n-]n4)nn3)n2)c1 ZINC001581855205 1165889838 /nfs/dbraw/zinc/88/98/38/1165889838.db2.gz QTHHHSLBBJUZQN-UHFFFAOYSA-N -1 1 311.284 0.831 20 0 DCADMM NC(=O)NC[C@@H]1CCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001581896309 1165906617 /nfs/dbraw/zinc/90/66/17/1165906617.db2.gz CEGLZUDRKVUUBM-VIFPVBQESA-N -1 1 319.325 0.123 20 0 DCADMM NC(=O)NC[C@@H]1CCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001581896309 1165906623 /nfs/dbraw/zinc/90/66/23/1165906623.db2.gz CEGLZUDRKVUUBM-VIFPVBQESA-N -1 1 319.325 0.123 20 0 DCADMM NC(=O)C[C@@H]1CCCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001581891604 1165907416 /nfs/dbraw/zinc/90/74/16/1165907416.db2.gz OFYCFDGGALPLEI-QMMMGPOBSA-N -1 1 320.378 0.656 20 0 DCADMM NC(=O)c1ncc(NC(=O)c2cccc(-c3nnn[n-]3)n2)s1 ZINC001581906627 1165908834 /nfs/dbraw/zinc/90/88/34/1165908834.db2.gz WNHVKRQFQIKYMT-UHFFFAOYSA-N -1 1 316.306 0.069 20 0 DCADMM NC(=O)c1ncc(NC(=O)c2cccc(-c3nn[n-]n3)n2)s1 ZINC001581906627 1165908841 /nfs/dbraw/zinc/90/88/41/1165908841.db2.gz WNHVKRQFQIKYMT-UHFFFAOYSA-N -1 1 316.306 0.069 20 0 DCADMM Nc1nnc([C@H]2CCCN(c3ccnc(-c4nnn[n-]4)c3)C2)o1 ZINC001581911559 1165911701 /nfs/dbraw/zinc/91/17/01/1165911701.db2.gz YNOSWILVPIJXIX-QMMMGPOBSA-N -1 1 313.325 0.611 20 0 DCADMM Nc1nnc([C@H]2CCCN(c3ccnc(-c4nn[n-]n4)c3)C2)o1 ZINC001581911559 1165911706 /nfs/dbraw/zinc/91/17/06/1165911706.db2.gz YNOSWILVPIJXIX-QMMMGPOBSA-N -1 1 313.325 0.611 20 0 DCADMM O=C(C1CCC1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001581931436 1165916705 /nfs/dbraw/zinc/91/67/05/1165916705.db2.gz LDFAOOUMHSJLBF-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CCC1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001581931436 1165916709 /nfs/dbraw/zinc/91/67/09/1165916709.db2.gz LDFAOOUMHSJLBF-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582009282 1165936277 /nfs/dbraw/zinc/93/62/77/1165936277.db2.gz JCSNGSZAUJQEHB-JTQLQIEISA-N -1 1 324.304 0.403 20 0 DCADMM O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582009282 1165936288 /nfs/dbraw/zinc/93/62/88/1165936288.db2.gz JCSNGSZAUJQEHB-JTQLQIEISA-N -1 1 324.304 0.403 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1csc(=O)[nH]1 ZINC001582138375 1165968096 /nfs/dbraw/zinc/96/80/96/1165968096.db2.gz BNCUYEYLGOXHSE-UHFFFAOYSA-N -1 1 317.334 0.283 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1csc(=O)[nH]1 ZINC001582138375 1165968107 /nfs/dbraw/zinc/96/81/07/1165968107.db2.gz BNCUYEYLGOXHSE-UHFFFAOYSA-N -1 1 317.334 0.283 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)NCc1ccc(Cl)cc1 ZINC001582189010 1165978341 /nfs/dbraw/zinc/97/83/41/1165978341.db2.gz XCYCSBUGBNPSPB-UHFFFAOYSA-N -1 1 318.728 0.428 20 0 DCADMM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001582317722 1166000099 /nfs/dbraw/zinc/00/00/99/1166000099.db2.gz JYZCKSHRMXJPOU-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001582317722 1166000107 /nfs/dbraw/zinc/00/01/07/1166000107.db2.gz JYZCKSHRMXJPOU-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001582317774 1166000169 /nfs/dbraw/zinc/00/01/69/1166000169.db2.gz PDSKHPALJSVHII-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ncc2n1CCCC2 ZINC001582554468 1166040903 /nfs/dbraw/zinc/04/09/03/1166040903.db2.gz KWBLLBZIEHUXNF-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ncc2n1CCCC2 ZINC001582554468 1166040911 /nfs/dbraw/zinc/04/09/11/1166040911.db2.gz KWBLLBZIEHUXNF-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)Nc1ccncc1F ZINC001582558884 1166043783 /nfs/dbraw/zinc/04/37/83/1166043783.db2.gz KBZXEIURHUGEIW-UHFFFAOYSA-N -1 1 320.313 0.601 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)Nc1ccncc1F ZINC001582558884 1166043789 /nfs/dbraw/zinc/04/37/89/1166043789.db2.gz KBZXEIURHUGEIW-UHFFFAOYSA-N -1 1 320.313 0.601 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001582615624 1166052734 /nfs/dbraw/zinc/05/27/34/1166052734.db2.gz BIWMHFRLLNOURW-KYZUINATSA-N -1 1 300.326 0.126 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001582615624 1166052738 /nfs/dbraw/zinc/05/27/38/1166052738.db2.gz BIWMHFRLLNOURW-KYZUINATSA-N -1 1 300.326 0.126 20 0 DCADMM O=C(Nc1ccc(OCCO)nc1)c1coc(-c2nnn[n-]2)c1 ZINC001582641556 1166058190 /nfs/dbraw/zinc/05/81/90/1166058190.db2.gz GSLXELHUSWSDEE-UHFFFAOYSA-N -1 1 316.277 0.478 20 0 DCADMM O=C(Nc1ccc(OCCO)nc1)c1coc(-c2nn[n-]n2)c1 ZINC001582641556 1166058195 /nfs/dbraw/zinc/05/81/95/1166058195.db2.gz GSLXELHUSWSDEE-UHFFFAOYSA-N -1 1 316.277 0.478 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]2COC[C@@H]21 ZINC001582645117 1166059656 /nfs/dbraw/zinc/05/96/56/1166059656.db2.gz LYMDCBKCZGZALO-KOLCDFICSA-N -1 1 315.337 0.904 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]2COC[C@@H]21 ZINC001582645117 1166059660 /nfs/dbraw/zinc/05/96/60/1166059660.db2.gz LYMDCBKCZGZALO-KOLCDFICSA-N -1 1 315.337 0.904 20 0 DCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@@H]1CC[C@H]1O ZINC001582654116 1166061195 /nfs/dbraw/zinc/06/11/95/1166061195.db2.gz ZPKBWXPKQNFVDW-QWWZWVQMSA-N -1 1 315.746 0.621 20 0 DCADMM O=S(=O)(NCCC(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001582795297 1166078531 /nfs/dbraw/zinc/07/85/31/1166078531.db2.gz ASBWBASDWVUGRY-UHFFFAOYSA-N -1 1 304.282 0.195 20 0 DCADMM O=S(=O)(NCCC(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001582795297 1166078533 /nfs/dbraw/zinc/07/85/33/1166078533.db2.gz ASBWBASDWVUGRY-UHFFFAOYSA-N -1 1 304.282 0.195 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccc(F)cc1Cl ZINC001582806503 1166086629 /nfs/dbraw/zinc/08/66/29/1166086629.db2.gz MDICIQFWTUZOKB-UHFFFAOYSA-N -1 1 322.687 0.970 20 0 DCADMM COC(=O)CN(CC(=O)OC)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001584708364 1166359622 /nfs/dbraw/zinc/35/96/22/1166359622.db2.gz DWTKLEXJAFKYKE-UHFFFAOYSA-N -1 1 323.301 0.301 20 0 DCADMM C[C@H]1C(=O)N([N-]C(=O)c2cc(-c3ccco3)[nH]n2)C(=O)N1C ZINC001585137086 1166403623 /nfs/dbraw/zinc/40/36/23/1166403623.db2.gz CTARVHWFNORXIF-ZETCQYMHSA-N -1 1 303.278 0.597 20 0 DCADMM O=C(c1onc2ccccc21)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001585183056 1166409781 /nfs/dbraw/zinc/40/97/81/1166409781.db2.gz FCYFFWYLRNNKOY-JTQLQIEISA-N -1 1 300.278 0.555 20 0 DCADMM C/C=C(/C)C(=O)NC[C@]1(O)CCN(C(=O)c2ncccc2[O-])C1 ZINC001586268815 1166491129 /nfs/dbraw/zinc/49/11/29/1166491129.db2.gz BNZFXBSONYQYLX-MBHDNXIMSA-N -1 1 319.361 0.447 20 0 DCADMM CC(=O)C[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001588787624 1166589153 /nfs/dbraw/zinc/58/91/53/1166589153.db2.gz WMSPIDVBVGTTEN-VIFPVBQESA-N -1 1 321.362 0.748 20 0 DCADMM CC(=O)C[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001588787624 1166589158 /nfs/dbraw/zinc/58/91/58/1166589158.db2.gz WMSPIDVBVGTTEN-VIFPVBQESA-N -1 1 321.362 0.748 20 0 DCADMM CC(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588796706 1166589683 /nfs/dbraw/zinc/58/96/83/1166589683.db2.gz AYJVKSZFRKAYJI-JTQLQIEISA-N -1 1 302.342 0.022 20 0 DCADMM CC(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588796706 1166589686 /nfs/dbraw/zinc/58/96/86/1166589686.db2.gz AYJVKSZFRKAYJI-JTQLQIEISA-N -1 1 302.342 0.022 20 0 DCADMM CC(=O)N1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001588813129 1166596726 /nfs/dbraw/zinc/59/67/26/1166596726.db2.gz UCDQWLCUOSACRO-VIFPVBQESA-N -1 1 307.383 0.912 20 0 DCADMM CC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588818126 1166596751 /nfs/dbraw/zinc/59/67/51/1166596751.db2.gz AQSPZQFJZUJZSR-NSHDSACASA-N -1 1 316.369 0.860 20 0 DCADMM CC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588818126 1166596756 /nfs/dbraw/zinc/59/67/56/1166596756.db2.gz AQSPZQFJZUJZSR-NSHDSACASA-N -1 1 316.369 0.860 20 0 DCADMM CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001588818328 1166596785 /nfs/dbraw/zinc/59/67/85/1166596785.db2.gz DRAWVRUSWCIQDM-JOYOIKCWSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588818328 1166596791 /nfs/dbraw/zinc/59/67/91/1166596791.db2.gz DRAWVRUSWCIQDM-JOYOIKCWSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001588818329 1166597901 /nfs/dbraw/zinc/59/79/01/1166597901.db2.gz DRAWVRUSWCIQDM-SKDRFNHKSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588818329 1166597904 /nfs/dbraw/zinc/59/79/04/1166597904.db2.gz DRAWVRUSWCIQDM-SKDRFNHKSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588818191 1166598762 /nfs/dbraw/zinc/59/87/62/1166598762.db2.gz CQDDGUKQJFIWHO-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588822430 1166599368 /nfs/dbraw/zinc/59/93/68/1166599368.db2.gz BOFYTOLQYWHASH-UHFFFAOYSA-N -1 1 318.312 0.310 20 0 DCADMM CC(=O)N1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588822430 1166599372 /nfs/dbraw/zinc/59/93/72/1166599372.db2.gz BOFYTOLQYWHASH-UHFFFAOYSA-N -1 1 318.312 0.310 20 0 DCADMM CC(=O)NC(C)(C)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588831404 1166601362 /nfs/dbraw/zinc/60/13/62/1166601362.db2.gz GLGQNGXUUDRSBN-UHFFFAOYSA-N -1 1 309.351 1.000 20 0 DCADMM CC(=O)NC(C)(C)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001588831404 1166601368 /nfs/dbraw/zinc/60/13/68/1166601368.db2.gz GLGQNGXUUDRSBN-UHFFFAOYSA-N -1 1 309.351 1.000 20 0 DCADMM CC(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001588842112 1166606374 /nfs/dbraw/zinc/60/63/74/1166606374.db2.gz VWNFUHSDABERGZ-JTQLQIEISA-N -1 1 302.342 0.008 20 0 DCADMM CC(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588842112 1166606376 /nfs/dbraw/zinc/60/63/76/1166606376.db2.gz VWNFUHSDABERGZ-JTQLQIEISA-N -1 1 302.342 0.008 20 0 DCADMM CC(=O)O[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001588887107 1166614337 /nfs/dbraw/zinc/61/43/37/1166614337.db2.gz RJTLLGDJSAWFDW-SECBINFHSA-N -1 1 305.294 0.627 20 0 DCADMM CC(=O)O[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001588887107 1166614341 /nfs/dbraw/zinc/61/43/41/1166614341.db2.gz RJTLLGDJSAWFDW-SECBINFHSA-N -1 1 305.294 0.627 20 0 DCADMM C[C@@H](C(=O)N1CC[C@@H]1C(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588952529 1166622407 /nfs/dbraw/zinc/62/24/07/1166622407.db2.gz WJWSQTMLYIOJNJ-DTWKUNHWSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@H](C(=O)N[C@]1(C)CC=CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970027 1166624080 /nfs/dbraw/zinc/62/40/80/1166624080.db2.gz AHUATPUKCZUWEA-NOZJJQNGSA-N -1 1 302.342 0.634 20 0 DCADMM C[C@H](C(=O)NC1(C2CC2)CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588971100 1166625048 /nfs/dbraw/zinc/62/50/48/1166625048.db2.gz WNONUUYOZNXDJN-MRVPVSSYSA-N -1 1 302.342 0.468 20 0 DCADMM C[C@@H](C(=O)NCCCc1ccco1)n1cnc(-c2nn[n-]n2)n1 ZINC001588991877 1166626852 /nfs/dbraw/zinc/62/68/52/1166626852.db2.gz RCVGAAONVUULIT-VIFPVBQESA-N -1 1 316.325 0.361 20 0 DCADMM C[C@@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)n1cccn1 ZINC001589012617 1166628873 /nfs/dbraw/zinc/62/88/73/1166628873.db2.gz YRHVQCUPFZQORG-ZETCQYMHSA-N -1 1 313.325 0.863 20 0 DCADMM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001589099965 1166636019 /nfs/dbraw/zinc/63/60/19/1166636019.db2.gz WALWELOENAFSQB-NXEZZACHSA-N -1 1 318.385 0.789 20 0 DCADMM CC(C)(C)NC(=O)CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589138779 1166637933 /nfs/dbraw/zinc/63/79/33/1166637933.db2.gz FJKOUZYBQUEOJG-UHFFFAOYSA-N -1 1 317.353 0.296 20 0 DCADMM CC(C)(C)NC(=O)CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589138779 1166637935 /nfs/dbraw/zinc/63/79/35/1166637935.db2.gz FJKOUZYBQUEOJG-UHFFFAOYSA-N -1 1 317.353 0.296 20 0 DCADMM CC(C)(CNC(=O)c1coc(-c2nnn[n-]2)c1)[C@]1(O)CCOC1 ZINC001589286213 1166642553 /nfs/dbraw/zinc/64/25/53/1166642553.db2.gz BOXMAQUIBLPGAB-AWEZNQCLSA-N -1 1 321.337 0.367 20 0 DCADMM CC(C)(CNC(=O)c1coc(-c2nn[n-]n2)c1)[C@]1(O)CCOC1 ZINC001589286213 1166642558 /nfs/dbraw/zinc/64/25/58/1166642558.db2.gz BOXMAQUIBLPGAB-AWEZNQCLSA-N -1 1 321.337 0.367 20 0 DCADMM CC(C)(C)n1ncnc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001589265325 1166642960 /nfs/dbraw/zinc/64/29/60/1166642960.db2.gz KKSPDIULQCVGKW-UHFFFAOYSA-N -1 1 300.330 0.615 20 0 DCADMM CC(C)(C)n1ncnc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001589265325 1166642964 /nfs/dbraw/zinc/64/29/64/1166642964.db2.gz KKSPDIULQCVGKW-UHFFFAOYSA-N -1 1 300.330 0.615 20 0 DCADMM CC(C)=CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589369871 1166651663 /nfs/dbraw/zinc/65/16/63/1166651663.db2.gz DPPAXSIGJJOCRQ-AOOOYVTPSA-N -1 1 314.353 0.104 20 0 DCADMM CC(C)[C@@H](C)C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589432517 1166659073 /nfs/dbraw/zinc/65/90/73/1166659073.db2.gz HTQYABCSYTYIQI-SECBINFHSA-N -1 1 304.358 0.477 20 0 DCADMM CC(C)[C@@H](C)C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589432517 1166659079 /nfs/dbraw/zinc/65/90/79/1166659079.db2.gz HTQYABCSYTYIQI-SECBINFHSA-N -1 1 304.358 0.477 20 0 DCADMM CC(C)CCSCC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589607536 1166667625 /nfs/dbraw/zinc/66/76/25/1166667625.db2.gz MUVJMKQSXGMUMV-UHFFFAOYSA-N -1 1 324.414 0.354 20 0 DCADMM CC(C)N(C1COC1)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001589678684 1166675093 /nfs/dbraw/zinc/67/50/93/1166675093.db2.gz OKKGFFFYZQEUQO-UHFFFAOYSA-N -1 1 324.366 0.060 20 0 DCADMM C[C@@H](CCC1CC1)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589806598 1166691150 /nfs/dbraw/zinc/69/11/50/1166691150.db2.gz XALJGCYOZXBRMI-VIFPVBQESA-N -1 1 319.373 0.336 20 0 DCADMM C[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@@H](O)C(F)(F)F ZINC001589947825 1166729070 /nfs/dbraw/zinc/72/90/70/1166729070.db2.gz YKUNRUUNOWCMAE-YLWLKBPMSA-N -1 1 316.243 0.303 20 0 DCADMM C[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@@H](O)C(F)(F)F ZINC001589947825 1166729073 /nfs/dbraw/zinc/72/90/73/1166729073.db2.gz YKUNRUUNOWCMAE-YLWLKBPMSA-N -1 1 316.243 0.303 20 0 DCADMM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccsc1 ZINC001589977990 1166735084 /nfs/dbraw/zinc/73/50/84/1166735084.db2.gz DCKCGOVUWGKMEH-LURJTMIESA-N -1 1 319.350 0.901 20 0 DCADMM C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589994973 1166740643 /nfs/dbraw/zinc/74/06/43/1166740643.db2.gz AUVNVCLKJSMQPN-RKDXNWHRSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589994973 1166740651 /nfs/dbraw/zinc/74/06/51/1166740651.db2.gz AUVNVCLKJSMQPN-RKDXNWHRSA-N -1 1 305.342 0.790 20 0 DCADMM CC1(C)C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)CO1 ZINC001590082332 1166767538 /nfs/dbraw/zinc/76/75/38/1166767538.db2.gz BQGHCMFVPCAVHU-QMMMGPOBSA-N -1 1 303.326 0.951 20 0 DCADMM CC1(C)C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)CO1 ZINC001590082332 1166767545 /nfs/dbraw/zinc/76/75/45/1166767545.db2.gz BQGHCMFVPCAVHU-QMMMGPOBSA-N -1 1 303.326 0.951 20 0 DCADMM CC1(C)CCC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590095745 1166771376 /nfs/dbraw/zinc/77/13/76/1166771376.db2.gz ZFCKOQNKJLHULL-SECBINFHSA-N -1 1 304.358 0.543 20 0 DCADMM CC1(C)C[C@@H](O)CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590083477 1166771819 /nfs/dbraw/zinc/77/18/19/1166771819.db2.gz HCWYEYRJUPJMSU-JTQLQIEISA-N -1 1 316.365 0.885 20 0 DCADMM CC1(C)C[C@@H](O)CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590083477 1166771823 /nfs/dbraw/zinc/77/18/23/1166771823.db2.gz HCWYEYRJUPJMSU-JTQLQIEISA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@]1(C2CC2)COCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590122092 1166782877 /nfs/dbraw/zinc/78/28/77/1166782877.db2.gz MWUJIHSWUKSZJB-HNNXBMFYSA-N -1 1 314.349 0.903 20 0 DCADMM C[C@@]1(C2CC2)COCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590122092 1166782887 /nfs/dbraw/zinc/78/28/87/1166782887.db2.gz MWUJIHSWUKSZJB-HNNXBMFYSA-N -1 1 314.349 0.903 20 0 DCADMM C[C@@]1(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CCOC1 ZINC001590145539 1166787444 /nfs/dbraw/zinc/78/74/44/1166787444.db2.gz MTDSCMPWQVCBJG-GFCCVEGCSA-N -1 1 308.729 0.824 20 0 DCADMM C[C@]1(COC(=O)c2csc(-c3nnn[n-]3)c2)COC(=O)N1 ZINC001590139478 1166788013 /nfs/dbraw/zinc/78/80/13/1166788013.db2.gz IXNOXUKXBXPGRD-NSHDSACASA-N -1 1 309.307 0.584 20 0 DCADMM C[C@]1(COC(=O)c2csc(-c3nn[n-]n3)c2)COC(=O)N1 ZINC001590139478 1166788020 /nfs/dbraw/zinc/78/80/20/1166788020.db2.gz IXNOXUKXBXPGRD-NSHDSACASA-N -1 1 309.307 0.584 20 0 DCADMM C[C@@H]1CC(=O)NCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590182124 1166803543 /nfs/dbraw/zinc/80/35/43/1166803543.db2.gz YGHBEUHGMNZDPU-MRVPVSSYSA-N -1 1 316.325 0.004 20 0 DCADMM C[C@@H]1CC(=O)NCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590182124 1166803546 /nfs/dbraw/zinc/80/35/46/1166803546.db2.gz YGHBEUHGMNZDPU-MRVPVSSYSA-N -1 1 316.325 0.004 20 0 DCADMM C[C@@H](C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590190364 1166804215 /nfs/dbraw/zinc/80/42/15/1166804215.db2.gz YUKJITMIGAJSJC-ZRUFSTJUSA-N -1 1 318.385 0.960 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H](C)O1 ZINC001590192415 1166806231 /nfs/dbraw/zinc/80/62/31/1166806231.db2.gz DBHJNCFZOQBJHO-OPRDCNLKSA-N -1 1 302.338 0.805 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H](C)O1 ZINC001590192415 1166806237 /nfs/dbraw/zinc/80/62/37/1166806237.db2.gz DBHJNCFZOQBJHO-OPRDCNLKSA-N -1 1 302.338 0.805 20 0 DCADMM C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590192962 1166807803 /nfs/dbraw/zinc/80/78/03/1166807803.db2.gz YOHIEBWUAMCVLW-RKDXNWHRSA-N -1 1 308.367 0.681 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CO1 ZINC001590202393 1166811530 /nfs/dbraw/zinc/81/15/30/1166811530.db2.gz GWKSGMADFZYTNB-NKWVEPMBSA-N -1 1 308.729 0.822 20 0 DCADMM C[C@@H]1C[C@]2(CC[C@@H](CNc3cc(-c4nnn[n-]4)ncn3)O2)CO1 ZINC001590221930 1166817055 /nfs/dbraw/zinc/81/70/55/1166817055.db2.gz VPLAGIKNKDSTBS-ISTVAULSSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1C[C@]2(CC[C@@H](CNc3cc(-c4nn[n-]n4)ncn3)O2)CO1 ZINC001590221930 1166817061 /nfs/dbraw/zinc/81/70/61/1166817061.db2.gz VPLAGIKNKDSTBS-ISTVAULSSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001590298386 1166844512 /nfs/dbraw/zinc/84/45/12/1166844512.db2.gz WDXGINKUZPKWJS-LDWIPMOCSA-N -1 1 309.276 0.598 20 0 DCADMM C[C@@H]1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C[C@@H]1O ZINC001590298386 1166844517 /nfs/dbraw/zinc/84/45/17/1166844517.db2.gz WDXGINKUZPKWJS-LDWIPMOCSA-N -1 1 309.276 0.598 20 0 DCADMM C[C@H]1CN(CCOC(=O)c2csc(-c3nn[n-]n3)c2)CCO1 ZINC001590310260 1166854727 /nfs/dbraw/zinc/85/47/27/1166854727.db2.gz YIKOGLZNQIZPEE-VIFPVBQESA-N -1 1 323.378 0.806 20 0 DCADMM C[C@H]1CO[C@@H](C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)C1 ZINC001590322878 1166866840 /nfs/dbraw/zinc/86/68/40/1166866840.db2.gz VTWKMGXKLOFYBH-NOZJJQNGSA-N -1 1 314.349 0.966 20 0 DCADMM C[C@H]1CO[C@@H](C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)C1 ZINC001590322878 1166866842 /nfs/dbraw/zinc/86/68/42/1166866842.db2.gz VTWKMGXKLOFYBH-NOZJJQNGSA-N -1 1 314.349 0.966 20 0 DCADMM C[C@@H]1COC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590325568 1166867725 /nfs/dbraw/zinc/86/77/25/1166867725.db2.gz QTZCELNJGHVUJS-VXNVDRBHSA-N -1 1 308.367 0.762 20 0 DCADMM C[C@H]1N(C(=O)c2ccnc(-c3nnn[n-]3)c2)CCOC1(C)C ZINC001590332608 1166868034 /nfs/dbraw/zinc/86/80/34/1166868034.db2.gz ZERJBHPTGNZBNN-SECBINFHSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H]1N(C(=O)c2ccnc(-c3nn[n-]n3)c2)CCOC1(C)C ZINC001590332608 1166868037 /nfs/dbraw/zinc/86/80/37/1166868037.db2.gz ZERJBHPTGNZBNN-SECBINFHSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590326288 1166868731 /nfs/dbraw/zinc/86/87/31/1166868731.db2.gz HPECTWQNUOESNP-SECBINFHSA-N -1 1 324.348 0.819 20 0 DCADMM C[C@@H]1c2nncn2CCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590344866 1166875527 /nfs/dbraw/zinc/87/55/27/1166875527.db2.gz WDVFSWUXIOUJIF-MRVPVSSYSA-N -1 1 324.352 0.707 20 0 DCADMM C[C@@H]1c2nncn2CCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590344866 1166875533 /nfs/dbraw/zinc/87/55/33/1166875533.db2.gz WDVFSWUXIOUJIF-MRVPVSSYSA-N -1 1 324.352 0.707 20 0 DCADMM C/C=C(/C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001590342832 1166877095 /nfs/dbraw/zinc/87/70/95/1166877095.db2.gz QTEJALVNBVPRPO-KSXVILFYSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(/C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001590342832 1166877103 /nfs/dbraw/zinc/87/71/03/1166877103.db2.gz QTEJALVNBVPRPO-KSXVILFYSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001590344605 1166877480 /nfs/dbraw/zinc/87/74/80/1166877480.db2.gz VBYSNWYPEBCXCT-BJMVGYQFSA-N -1 1 316.369 0.518 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001590344605 1166877486 /nfs/dbraw/zinc/87/74/86/1166877486.db2.gz VBYSNWYPEBCXCT-BJMVGYQFSA-N -1 1 316.369 0.518 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590347150 1166878990 /nfs/dbraw/zinc/87/89/90/1166878990.db2.gz BTDGIXKDMRATBD-PMXLAWOHSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590347150 1166879000 /nfs/dbraw/zinc/87/90/00/1166879000.db2.gz BTDGIXKDMRATBD-PMXLAWOHSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(\C)C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590347330 1166879183 /nfs/dbraw/zinc/87/91/83/1166879183.db2.gz OWPFDYPXBKQEPE-YVFTVSHDSA-N -1 1 316.369 0.848 20 0 DCADMM C/C=C(\C)C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590347330 1166879189 /nfs/dbraw/zinc/87/91/89/1166879189.db2.gz OWPFDYPXBKQEPE-YVFTVSHDSA-N -1 1 316.369 0.848 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001590361204 1166884545 /nfs/dbraw/zinc/88/45/45/1166884545.db2.gz ZIGYGRMIWQMETA-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001590361204 1166884548 /nfs/dbraw/zinc/88/45/48/1166884548.db2.gz ZIGYGRMIWQMETA-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590364177 1166887465 /nfs/dbraw/zinc/88/74/65/1166887465.db2.gz FKKPQFVRAIZPRX-MRVPVSSYSA-N -1 1 304.358 0.539 20 0 DCADMM CCC(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590364177 1166887472 /nfs/dbraw/zinc/88/74/72/1166887472.db2.gz FKKPQFVRAIZPRX-MRVPVSSYSA-N -1 1 304.358 0.539 20 0 DCADMM CCC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001590364236 1166888906 /nfs/dbraw/zinc/88/89/06/1166888906.db2.gz MZOIYOMFNLZHLN-SECBINFHSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001590364236 1166888913 /nfs/dbraw/zinc/88/89/13/1166888913.db2.gz MZOIYOMFNLZHLN-SECBINFHSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(C)(C)CCNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590376198 1166891659 /nfs/dbraw/zinc/89/16/59/1166891659.db2.gz YVIQLFMNGAUSOD-VIFPVBQESA-N -1 1 306.374 0.962 20 0 DCADMM CC[C@H](C)C(=O)COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590391064 1166897356 /nfs/dbraw/zinc/89/73/56/1166897356.db2.gz PETOHRUOMVFIFN-JGVFFNPUSA-N -1 1 307.314 0.178 20 0 DCADMM CC[C@H](C)NC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590412798 1166899668 /nfs/dbraw/zinc/89/96/68/1166899668.db2.gz PBFRDWFSZFOVKQ-QMMMGPOBSA-N -1 1 306.326 0.494 20 0 DCADMM CC[C@H](C)NC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590412798 1166899674 /nfs/dbraw/zinc/89/96/74/1166899674.db2.gz PBFRDWFSZFOVKQ-QMMMGPOBSA-N -1 1 306.326 0.494 20 0 DCADMM CC[C@@H](C)NC(=O)COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590414568 1166902793 /nfs/dbraw/zinc/90/27/93/1166902793.db2.gz LXBVKGGPONZHQZ-SSDOTTSWSA-N -1 1 307.310 0.840 20 0 DCADMM CC[C@@H](C)NC(=O)COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590414568 1166902797 /nfs/dbraw/zinc/90/27/97/1166902797.db2.gz LXBVKGGPONZHQZ-SSDOTTSWSA-N -1 1 307.310 0.840 20 0 DCADMM CC[C@H](CN1CCOCC1)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590437211 1166904532 /nfs/dbraw/zinc/90/45/32/1166904532.db2.gz IZLXLKLRIRGCOL-LLVKDONJSA-N -1 1 320.353 0.300 20 0 DCADMM CC[C@H](CN1CCOCC1)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590437211 1166904537 /nfs/dbraw/zinc/90/45/37/1166904537.db2.gz IZLXLKLRIRGCOL-LLVKDONJSA-N -1 1 320.353 0.300 20 0 DCADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ncc[nH]1 ZINC001590454285 1166910873 /nfs/dbraw/zinc/91/08/73/1166910873.db2.gz JQZNHMRPVKMOKU-QMMMGPOBSA-N -1 1 316.325 0.696 20 0 DCADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ncc[nH]1 ZINC001590454285 1166910880 /nfs/dbraw/zinc/91/08/80/1166910880.db2.gz JQZNHMRPVKMOKU-QMMMGPOBSA-N -1 1 316.325 0.696 20 0 DCADMM CC[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ncc[nH]1 ZINC001590455091 1166913657 /nfs/dbraw/zinc/91/36/57/1166913657.db2.gz GAOOAASDBGOCCH-JGVFFNPUSA-N -1 1 316.329 0.010 20 0 DCADMM CC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)[C@@H](C)O ZINC001590457525 1166914115 /nfs/dbraw/zinc/91/41/15/1166914115.db2.gz REASBEMLPNPFQQ-VXNVDRBHSA-N -1 1 306.326 0.165 20 0 DCADMM CC[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(OC)OC ZINC001590459444 1166914708 /nfs/dbraw/zinc/91/47/08/1166914708.db2.gz KFAWRFPEHKZDCP-SECBINFHSA-N -1 1 306.326 0.389 20 0 DCADMM CC[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(OC)OC ZINC001590459444 1166914716 /nfs/dbraw/zinc/91/47/16/1166914716.db2.gz KFAWRFPEHKZDCP-SECBINFHSA-N -1 1 306.326 0.389 20 0 DCADMM CC[C@@]1(O)CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590500350 1166925770 /nfs/dbraw/zinc/92/57/70/1166925770.db2.gz LQBYKOPVKXNVTN-CQSZACIVSA-N -1 1 302.338 0.639 20 0 DCADMM CC[C@@]1(O)CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590500350 1166925774 /nfs/dbraw/zinc/92/57/74/1166925774.db2.gz LQBYKOPVKXNVTN-CQSZACIVSA-N -1 1 302.338 0.639 20 0 DCADMM CCC1(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC001590495182 1166925928 /nfs/dbraw/zinc/92/59/28/1166925928.db2.gz FNQIUDDUTULACU-SECBINFHSA-N -1 1 304.358 0.858 20 0 DCADMM CC[C@H]1CN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C[C@@H]1O ZINC001590520773 1166931683 /nfs/dbraw/zinc/93/16/83/1166931683.db2.gz IYNXVNPAPSGNTO-KWQFWETISA-N -1 1 318.337 0.255 20 0 DCADMM CC[C@H]1CN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C[C@@H]1O ZINC001590520773 1166931690 /nfs/dbraw/zinc/93/16/90/1166931690.db2.gz IYNXVNPAPSGNTO-KWQFWETISA-N -1 1 318.337 0.255 20 0 DCADMM CC[C@H]1CO[C@H](C)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590525623 1166933234 /nfs/dbraw/zinc/93/32/34/1166933234.db2.gz XEVMKRUDXSAMJI-KOLCDFICSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@H]1CO[C@H](C)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590525623 1166933240 /nfs/dbraw/zinc/93/32/40/1166933240.db2.gz XEVMKRUDXSAMJI-KOLCDFICSA-N -1 1 302.338 0.901 20 0 DCADMM CCCC(=O)N(C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590534187 1166935516 /nfs/dbraw/zinc/93/55/16/1166935516.db2.gz PASHGHJPHPEHJK-UHFFFAOYSA-N -1 1 304.358 0.139 20 0 DCADMM CC(C)(C)c1nc(NC(=O)CNC(=O)CN)sc1C(=O)[O-] ZINC001590544499 1166938737 /nfs/dbraw/zinc/93/87/37/1166938737.db2.gz GGGSSWGMCCNFAS-UHFFFAOYSA-N -1 1 314.367 0.152 20 0 DCADMM CCCC(=O)NCC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001590537983 1166940066 /nfs/dbraw/zinc/94/00/66/1166940066.db2.gz KLCAQLUVLAILPN-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)NCC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001590537983 1166940073 /nfs/dbraw/zinc/94/00/73/1166940073.db2.gz KLCAQLUVLAILPN-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCC[C@H](C)C(=O)NCCNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590546643 1166940408 /nfs/dbraw/zinc/94/04/08/1166940408.db2.gz OGCTZCCFSHVZIE-VIFPVBQESA-N -1 1 318.385 0.929 20 0 DCADMM CCC[C@H](C)C(=O)NCCNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590546643 1166940414 /nfs/dbraw/zinc/94/04/14/1166940414.db2.gz OGCTZCCFSHVZIE-VIFPVBQESA-N -1 1 318.385 0.929 20 0 DCADMM CCC[C@H](O)[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590558871 1166942674 /nfs/dbraw/zinc/94/26/74/1166942674.db2.gz INZMWVCEQYNQKY-YUMQZZPRSA-N -1 1 311.367 0.180 20 0 DCADMM CCC[C@H](O)[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590558871 1166942678 /nfs/dbraw/zinc/94/26/78/1166942678.db2.gz INZMWVCEQYNQKY-YUMQZZPRSA-N -1 1 311.367 0.180 20 0 DCADMM CCC[C@H](O)CC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590560378 1166944422 /nfs/dbraw/zinc/94/44/22/1166944422.db2.gz NFOUHHUTDFTJIZ-VIFPVBQESA-N -1 1 306.326 0.760 20 0 DCADMM CCCCCC(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590586719 1166945491 /nfs/dbraw/zinc/94/54/91/1166945491.db2.gz ZFRLBKPPAFDNQE-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCCC(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001590573353 1166945577 /nfs/dbraw/zinc/94/55/77/1166945577.db2.gz HYIQVKRVKZWZNG-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCCCC(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001590573353 1166945584 /nfs/dbraw/zinc/94/55/84/1166945584.db2.gz HYIQVKRVKZWZNG-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCCC[C@@H](C)N(C)c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001590576801 1166946012 /nfs/dbraw/zinc/94/60/12/1166946012.db2.gz GBNLNXIFPLORLA-MRVPVSSYSA-N -1 1 307.358 0.269 20 0 DCADMM CCC[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590572174 1166947627 /nfs/dbraw/zinc/94/76/27/1166947627.db2.gz NPUDJRQIUXGWJD-NSHDSACASA-N -1 1 302.338 0.903 20 0 DCADMM CCC[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001590572174 1166947635 /nfs/dbraw/zinc/94/76/35/1166947635.db2.gz NPUDJRQIUXGWJD-NSHDSACASA-N -1 1 302.338 0.903 20 0 DCADMM CCCCc1noc(Cn2cncc(-c3nn[n-]n3)c2=O)n1 ZINC001590614849 1166948608 /nfs/dbraw/zinc/94/86/08/1166948608.db2.gz XGOZJHHYWWPLTB-UHFFFAOYSA-N -1 1 302.298 0.197 20 0 DCADMM CCCCN(CCOC)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590603570 1166948619 /nfs/dbraw/zinc/94/86/19/1166948619.db2.gz ADAJUMFDTGKHRN-JTQLQIEISA-N -1 1 322.373 0.294 20 0 DCADMM CCCCOC(=O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590605490 1166948717 /nfs/dbraw/zinc/94/87/17/1166948717.db2.gz FVCQVWUORBEHCU-UHFFFAOYSA-N -1 1 318.337 0.264 20 0 DCADMM CCCCOC(=O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590605490 1166948722 /nfs/dbraw/zinc/94/87/22/1166948722.db2.gz FVCQVWUORBEHCU-UHFFFAOYSA-N -1 1 318.337 0.264 20 0 DCADMM CCCn1nccc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590665379 1166962646 /nfs/dbraw/zinc/96/26/46/1166962646.db2.gz YNNRPXBJXLCPFW-UHFFFAOYSA-N -1 1 301.314 0.757 20 0 DCADMM CCCn1cc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)nn1 ZINC001590663443 1166962718 /nfs/dbraw/zinc/96/27/18/1166962718.db2.gz GMGBMAYSRYDRRI-UHFFFAOYSA-N -1 1 302.302 0.152 20 0 DCADMM CCN(CCNC(=O)C(C)C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590701415 1166976281 /nfs/dbraw/zinc/97/62/81/1166976281.db2.gz GFEYIPQBPBVARK-UHFFFAOYSA-N -1 1 304.358 0.255 20 0 DCADMM CCN1CC[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)C1=O ZINC001590731699 1166988327 /nfs/dbraw/zinc/98/83/27/1166988327.db2.gz BTSGSBUUQNMCGG-MRVPVSSYSA-N -1 1 307.335 0.706 20 0 DCADMM CCNC(=O)N1CCN(c2nc(-c3nnn[n-]3)ccc2C)CC1 ZINC001590744276 1167001486 /nfs/dbraw/zinc/00/14/86/1167001486.db2.gz XRCQRZBNXXOAEX-UHFFFAOYSA-N -1 1 316.369 0.422 20 0 DCADMM CCNC(=O)N1CCN(c2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC001590744276 1167001490 /nfs/dbraw/zinc/00/14/90/1167001490.db2.gz XRCQRZBNXXOAEX-UHFFFAOYSA-N -1 1 316.369 0.422 20 0 DCADMM CCOC(=O)[C@H](C)C1CN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590750082 1167003418 /nfs/dbraw/zinc/00/34/18/1167003418.db2.gz GLTWCWYYVVAAQR-MRVPVSSYSA-N -1 1 322.394 0.954 20 0 DCADMM CCOC(=O)[C@H](C)C1CN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590750082 1167003424 /nfs/dbraw/zinc/00/34/24/1167003424.db2.gz GLTWCWYYVVAAQR-MRVPVSSYSA-N -1 1 322.394 0.954 20 0 DCADMM CCOC(=O)[C@H](C)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590753154 1167006121 /nfs/dbraw/zinc/00/61/21/1167006121.db2.gz YXQMOQKZFPDFRN-MRVPVSSYSA-N -1 1 319.325 0.582 20 0 DCADMM CCOC(=O)[C@H](C)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590753154 1167006129 /nfs/dbraw/zinc/00/61/29/1167006129.db2.gz YXQMOQKZFPDFRN-MRVPVSSYSA-N -1 1 319.325 0.582 20 0 DCADMM CCOC(=O)[C@](C)(O)CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590751153 1167006190 /nfs/dbraw/zinc/00/61/90/1167006190.db2.gz OLWKNJVTJFFONF-CYBMUJFWSA-N -1 1 306.326 0.296 20 0 DCADMM CCOC(=O)[C@](C)(O)CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590751153 1167006196 /nfs/dbraw/zinc/00/61/96/1167006196.db2.gz OLWKNJVTJFFONF-CYBMUJFWSA-N -1 1 306.326 0.296 20 0 DCADMM CCOC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590759719 1167007931 /nfs/dbraw/zinc/00/79/31/1167007931.db2.gz ISWZPZGTEOKTTH-SSDOTTSWSA-N -1 1 323.334 0.538 20 0 DCADMM CCOC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590759719 1167007939 /nfs/dbraw/zinc/00/79/39/1167007939.db2.gz ISWZPZGTEOKTTH-SSDOTTSWSA-N -1 1 323.334 0.538 20 0 DCADMM CCOC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590759720 1167008956 /nfs/dbraw/zinc/00/89/56/1167008956.db2.gz ISWZPZGTEOKTTH-ZETCQYMHSA-N -1 1 323.334 0.538 20 0 DCADMM CCOC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590759720 1167008962 /nfs/dbraw/zinc/00/89/62/1167008962.db2.gz ISWZPZGTEOKTTH-ZETCQYMHSA-N -1 1 323.334 0.538 20 0 DCADMM CCOC(=O)C1=CC[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590759114 1167008975 /nfs/dbraw/zinc/00/89/75/1167008975.db2.gz UMLGKPBUSCMCSS-SNVBAGLBSA-N -1 1 317.305 0.841 20 0 DCADMM CCOC(=O)C1=CC[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590759114 1167008982 /nfs/dbraw/zinc/00/89/82/1167008982.db2.gz UMLGKPBUSCMCSS-SNVBAGLBSA-N -1 1 317.305 0.841 20 0 DCADMM CCOC(=O)C1=CC[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590759113 1167009161 /nfs/dbraw/zinc/00/91/61/1167009161.db2.gz UMLGKPBUSCMCSS-JTQLQIEISA-N -1 1 317.305 0.841 20 0 DCADMM CCOC(=O)C1=CC[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590759113 1167009166 /nfs/dbraw/zinc/00/91/66/1167009166.db2.gz UMLGKPBUSCMCSS-JTQLQIEISA-N -1 1 317.305 0.841 20 0 DCADMM CCO[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590822475 1167033098 /nfs/dbraw/zinc/03/30/98/1167033098.db2.gz CVJVQDIQLSUZCH-DTORHVGOSA-N -1 1 303.326 0.951 20 0 DCADMM CCO[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590822475 1167033107 /nfs/dbraw/zinc/03/31/07/1167033107.db2.gz CVJVQDIQLSUZCH-DTORHVGOSA-N -1 1 303.326 0.951 20 0 DCADMM CC[S@](=O)CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590850849 1167038309 /nfs/dbraw/zinc/03/83/09/1167038309.db2.gz CTYOXUSOSAPZJZ-NRFANRHFSA-N -1 1 309.355 0.152 20 0 DCADMM CCc1cc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)no1 ZINC001590881315 1167044330 /nfs/dbraw/zinc/04/43/30/1167044330.db2.gz UZXJNCIJMYYSBZ-UHFFFAOYSA-N -1 1 302.298 0.711 20 0 DCADMM CCc1cc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)no1 ZINC001590881315 1167044336 /nfs/dbraw/zinc/04/43/36/1167044336.db2.gz UZXJNCIJMYYSBZ-UHFFFAOYSA-N -1 1 302.298 0.711 20 0 DCADMM CCc1nc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)sc1C ZINC001590915124 1167048432 /nfs/dbraw/zinc/04/84/32/1167048432.db2.gz OHODWMZATDKXIV-UHFFFAOYSA-N -1 1 319.354 0.424 20 0 DCADMM CCc1nc(N[C@@H](CO)[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001590915726 1167048958 /nfs/dbraw/zinc/04/89/58/1167048958.db2.gz FVOZZUIWPRLOBL-KOLCDFICSA-N -1 1 319.369 0.419 20 0 DCADMM CCc1nc(N[C@@H](CO)[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001590915726 1167048962 /nfs/dbraw/zinc/04/89/62/1167048962.db2.gz FVOZZUIWPRLOBL-KOLCDFICSA-N -1 1 319.369 0.419 20 0 DCADMM CCc1nc(NC2CC(C(=O)OC)C2)cc(-c2nnn[n-]2)n1 ZINC001590917643 1167052437 /nfs/dbraw/zinc/05/24/37/1167052437.db2.gz RVJWQBKYTRVSFY-UHFFFAOYSA-N -1 1 303.326 0.583 20 0 DCADMM CCc1nc(NC2CC(C(=O)OC)C2)cc(-c2nn[n-]n2)n1 ZINC001590917643 1167052441 /nfs/dbraw/zinc/05/24/41/1167052441.db2.gz RVJWQBKYTRVSFY-UHFFFAOYSA-N -1 1 303.326 0.583 20 0 DCADMM CCn1cnc2c1CCN(c1cc(-c3nnn[n-]3)nc(C)n1)C2 ZINC001590963374 1167060979 /nfs/dbraw/zinc/06/09/79/1167060979.db2.gz BHEBAWQZFLTBGR-UHFFFAOYSA-N -1 1 311.353 0.744 20 0 DCADMM CCn1cnc2c1CCN(c1cc(-c3nn[n-]n3)nc(C)n1)C2 ZINC001590963374 1167060985 /nfs/dbraw/zinc/06/09/85/1167060985.db2.gz BHEBAWQZFLTBGR-UHFFFAOYSA-N -1 1 311.353 0.744 20 0 DCADMM CCn1nc(C)c(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)n1 ZINC001590964989 1167061502 /nfs/dbraw/zinc/06/15/02/1167061502.db2.gz QCMFEZUJGAHHRK-UHFFFAOYSA-N -1 1 316.329 0.081 20 0 DCADMM CCn1nc(C)c(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)n1 ZINC001590964989 1167061509 /nfs/dbraw/zinc/06/15/09/1167061509.db2.gz QCMFEZUJGAHHRK-UHFFFAOYSA-N -1 1 316.329 0.081 20 0 DCADMM CCn1cnnc1CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590963175 1167062437 /nfs/dbraw/zinc/06/24/37/1167062437.db2.gz SBGZKNYYGQJBJN-UHFFFAOYSA-N -1 1 302.298 0.310 20 0 DCADMM CCn1cnnc1CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590963175 1167062445 /nfs/dbraw/zinc/06/24/45/1167062445.db2.gz SBGZKNYYGQJBJN-UHFFFAOYSA-N -1 1 302.298 0.310 20 0 DCADMM CCn1nnc(C)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001590971236 1167065085 /nfs/dbraw/zinc/06/50/85/1167065085.db2.gz QUYYGNIIICOYKJ-UHFFFAOYSA-N -1 1 314.309 0.539 20 0 DCADMM CCn1nnc(C)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001590971236 1167065090 /nfs/dbraw/zinc/06/50/90/1167065090.db2.gz QUYYGNIIICOYKJ-UHFFFAOYSA-N -1 1 314.309 0.539 20 0 DCADMM CN(C)C(=O)c1cccc(CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001591005310 1167073154 /nfs/dbraw/zinc/07/31/54/1167073154.db2.gz MTKZLONHDZQSIN-UHFFFAOYSA-N -1 1 324.348 0.971 20 0 DCADMM CN(C)C(=O)c1cccc(CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001591005310 1167073163 /nfs/dbraw/zinc/07/31/63/1167073163.db2.gz MTKZLONHDZQSIN-UHFFFAOYSA-N -1 1 324.348 0.971 20 0 DCADMM CN(C)[C@H](CCNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001591006555 1167074909 /nfs/dbraw/zinc/07/49/09/1167074909.db2.gz TVKBHVACYMGEDS-MRVPVSSYSA-N -1 1 316.291 0.951 20 0 DCADMM CN(C)[C@H](CCNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001591006555 1167074913 /nfs/dbraw/zinc/07/49/13/1167074913.db2.gz TVKBHVACYMGEDS-MRVPVSSYSA-N -1 1 316.291 0.951 20 0 DCADMM CN(Cc1cn(C)nn1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591150601 1167116309 /nfs/dbraw/zinc/11/63/09/1167116309.db2.gz COEKSCYQPSJXST-UHFFFAOYSA-N -1 1 305.733 0.680 20 0 DCADMM CN(Cc1cn(C)nn1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591150601 1167116312 /nfs/dbraw/zinc/11/63/12/1167116312.db2.gz COEKSCYQPSJXST-UHFFFAOYSA-N -1 1 305.733 0.680 20 0 DCADMM CN(Cc1nccn1C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591152853 1167119262 /nfs/dbraw/zinc/11/92/62/1167119262.db2.gz QIRWSIJHSNJFDD-UHFFFAOYSA-N -1 1 303.351 0.934 20 0 DCADMM CN(Cc1nccn1C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591152853 1167119264 /nfs/dbraw/zinc/11/92/64/1167119264.db2.gz QIRWSIJHSNJFDD-UHFFFAOYSA-N -1 1 303.351 0.934 20 0 DCADMM CN1CC[C@](C)(COC(=O)c2ccc(-c3nn[n-]n3)o2)C1=O ZINC001591178974 1167130145 /nfs/dbraw/zinc/13/01/45/1167130145.db2.gz VIAYMXSKWLGADQ-CYBMUJFWSA-N -1 1 305.294 0.485 20 0 DCADMM CN1CC[C@@H](Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)C1=O ZINC001591179364 1167133422 /nfs/dbraw/zinc/13/34/22/1167133422.db2.gz LSSFETICAYWXCB-JTQLQIEISA-N -1 1 324.344 0.660 20 0 DCADMM COC(=O)[C@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591230253 1167168676 /nfs/dbraw/zinc/16/86/76/1167168676.db2.gz XGMULSREVASSJM-SSDOTTSWSA-N -1 1 307.310 0.649 20 0 DCADMM COC(=O)[C@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591230253 1167168678 /nfs/dbraw/zinc/16/86/78/1167168678.db2.gz XGMULSREVASSJM-SSDOTTSWSA-N -1 1 307.310 0.649 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001591251350 1167176813 /nfs/dbraw/zinc/17/68/13/1167176813.db2.gz BNPYUFAOJBYTKL-QMMMGPOBSA-N -1 1 319.296 0.641 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001591251350 1167176817 /nfs/dbraw/zinc/17/68/17/1167176817.db2.gz BNPYUFAOJBYTKL-QMMMGPOBSA-N -1 1 319.296 0.641 20 0 DCADMM COC(=O)[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001591282577 1167198040 /nfs/dbraw/zinc/19/80/40/1167198040.db2.gz VRMHVDWOOLLAGJ-LURJTMIESA-N -1 1 324.728 0.549 20 0 DCADMM COC(=O)c1cc(CNc2ncncc2-c2nn[n-]n2)ccn1 ZINC001591288848 1167200919 /nfs/dbraw/zinc/20/09/19/1167200919.db2.gz KWAWQQPIMGZOPU-UHFFFAOYSA-N -1 1 312.293 0.450 20 0 DCADMM COC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)ccc2=O)s1 ZINC001591292671 1167203171 /nfs/dbraw/zinc/20/31/71/1167203171.db2.gz DYGZREUMTGMUHX-UHFFFAOYSA-N -1 1 317.330 0.925 20 0 DCADMM COC(=O)c1ccc(N(C)[C@@H]2CC[C@@H]2OC)c(-c2nnn[n-]2)n1 ZINC001591293895 1167203940 /nfs/dbraw/zinc/20/39/40/1167203940.db2.gz RJZOGQCLPRPMHT-KOLCDFICSA-N -1 1 318.337 0.662 20 0 DCADMM COC(=O)c1ccc(N(C)[C@@H]2CC[C@@H]2OC)c(-c2nn[n-]n2)n1 ZINC001591293895 1167203948 /nfs/dbraw/zinc/20/39/48/1167203948.db2.gz RJZOGQCLPRPMHT-KOLCDFICSA-N -1 1 318.337 0.662 20 0 DCADMM COC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001591302776 1167207151 /nfs/dbraw/zinc/20/71/51/1167207151.db2.gz CGGKIGHHTTXHFT-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM CO[C@@](C)(C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001591313593 1167209703 /nfs/dbraw/zinc/20/97/03/1167209703.db2.gz CBCQYLUQFCFALU-CQSZACIVSA-N -1 1 313.321 0.847 20 0 DCADMM CO[C@@](C)(CO)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591318236 1167213263 /nfs/dbraw/zinc/21/32/63/1167213263.db2.gz NXANKMQGATWEIY-CYBMUJFWSA-N -1 1 309.301 0.133 20 0 DCADMM CO[C@@](C)(CO)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591318236 1167213270 /nfs/dbraw/zinc/21/32/70/1167213270.db2.gz NXANKMQGATWEIY-CYBMUJFWSA-N -1 1 309.301 0.133 20 0 DCADMM CO[C@H](C)Cn1cc(Br)cc(-c2nn[n-]n2)c1=O ZINC001591324881 1167214290 /nfs/dbraw/zinc/21/42/90/1167214290.db2.gz SABSKGPPUZPBQK-ZCFIWIBFSA-N -1 1 314.143 0.826 20 0 DCADMM CO[C@@]1(CO)CCCN(c2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001591343643 1167226038 /nfs/dbraw/zinc/22/60/38/1167226038.db2.gz CVFBOBIVWMNYFN-AWEZNQCLSA-N -1 1 304.354 0.548 20 0 DCADMM CO[C@@]1(CO)CCCN(c2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001591343643 1167226042 /nfs/dbraw/zinc/22/60/42/1167226042.db2.gz CVFBOBIVWMNYFN-AWEZNQCLSA-N -1 1 304.354 0.548 20 0 DCADMM COC1(c2ccnn2C)CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591347009 1167227553 /nfs/dbraw/zinc/22/75/53/1167227553.db2.gz XDPHGUPPBUUCHO-UHFFFAOYSA-N -1 1 312.337 0.357 20 0 DCADMM COC1(c2ccnn2C)CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591347009 1167227559 /nfs/dbraw/zinc/22/75/59/1167227559.db2.gz XDPHGUPPBUUCHO-UHFFFAOYSA-N -1 1 312.337 0.357 20 0 DCADMM CO[C@H]1CC[C@H]1N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591353090 1167231040 /nfs/dbraw/zinc/23/10/40/1167231040.db2.gz GWBBZHQTRTVPRN-BDAKNGLRSA-N -1 1 306.330 0.241 20 0 DCADMM CO[C@H]1CC[C@H]1N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591353090 1167231047 /nfs/dbraw/zinc/23/10/47/1167231047.db2.gz GWBBZHQTRTVPRN-BDAKNGLRSA-N -1 1 306.330 0.241 20 0 DCADMM CO[C@H]1CN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)CC[C@@H]1C ZINC001591363080 1167236316 /nfs/dbraw/zinc/23/63/16/1167236316.db2.gz SINMBZXFTHPXRE-JQWIXIFHSA-N -1 1 318.381 0.651 20 0 DCADMM COC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001591375217 1167247144 /nfs/dbraw/zinc/24/71/44/1167247144.db2.gz CTHKHFRGNZNQQV-LLVKDONJSA-N -1 1 304.354 0.910 20 0 DCADMM COC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001591375217 1167247149 /nfs/dbraw/zinc/24/71/49/1167247149.db2.gz CTHKHFRGNZNQQV-LLVKDONJSA-N -1 1 304.354 0.910 20 0 DCADMM COC[C@]1(CO)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001591390044 1167257789 /nfs/dbraw/zinc/25/77/89/1167257789.db2.gz YIWFELKSCXOOHX-CYBMUJFWSA-N -1 1 324.772 0.750 20 0 DCADMM COC[C@]1(CO)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001591390044 1167257796 /nfs/dbraw/zinc/25/77/96/1167257796.db2.gz YIWFELKSCXOOHX-CYBMUJFWSA-N -1 1 324.772 0.750 20 0 DCADMM COC[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001591395991 1167265694 /nfs/dbraw/zinc/26/56/94/1167265694.db2.gz OXUXIXNBYUWCJC-WPRPVWTQSA-N -1 1 307.310 0.336 20 0 DCADMM COC[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001591395991 1167265701 /nfs/dbraw/zinc/26/57/01/1167265701.db2.gz OXUXIXNBYUWCJC-WPRPVWTQSA-N -1 1 307.310 0.336 20 0 DCADMM COCC[C@H](C)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001591398439 1167266179 /nfs/dbraw/zinc/26/61/79/1167266179.db2.gz FMQXIJAZPVLCQM-QMMMGPOBSA-N -1 1 306.326 0.431 20 0 DCADMM COCC[C@H](C)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591397801 1167266466 /nfs/dbraw/zinc/26/64/66/1167266466.db2.gz FLKCVGOTPGGXLY-JTQLQIEISA-N -1 1 304.354 0.593 20 0 DCADMM COCC[C@H](C)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591397801 1167266472 /nfs/dbraw/zinc/26/64/72/1167266472.db2.gz FLKCVGOTPGGXLY-JTQLQIEISA-N -1 1 304.354 0.593 20 0 DCADMM COC[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001591396523 1167266694 /nfs/dbraw/zinc/26/66/94/1167266694.db2.gz YXJPOWKHPVVRIZ-JTQLQIEISA-N -1 1 317.353 0.386 20 0 DCADMM COC[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001591396523 1167266698 /nfs/dbraw/zinc/26/66/98/1167266698.db2.gz YXJPOWKHPVVRIZ-JTQLQIEISA-N -1 1 317.353 0.386 20 0 DCADMM COCC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591399577 1167269197 /nfs/dbraw/zinc/26/91/97/1167269197.db2.gz VJSNOHWTOIYFAM-YFKPBYRVSA-N -1 1 304.763 0.786 20 0 DCADMM COCC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591399577 1167269191 /nfs/dbraw/zinc/26/91/91/1167269191.db2.gz VJSNOHWTOIYFAM-YFKPBYRVSA-N -1 1 304.763 0.786 20 0 DCADMM COCCC1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC001591403350 1167273520 /nfs/dbraw/zinc/27/35/20/1167273520.db2.gz LJONLIMQRKIKDU-UHFFFAOYSA-N -1 1 306.326 0.201 20 0 DCADMM COCCC1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC001591403350 1167273527 /nfs/dbraw/zinc/27/35/27/1167273527.db2.gz LJONLIMQRKIKDU-UHFFFAOYSA-N -1 1 306.326 0.201 20 0 DCADMM COCCN1C(=O)C2(CC2)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC001591428970 1167282062 /nfs/dbraw/zinc/28/20/62/1167282062.db2.gz LKTVXXZZKLBYHL-NSHDSACASA-N -1 1 320.378 0.538 20 0 DCADMM COCCOCc1noc(Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001591439071 1167288916 /nfs/dbraw/zinc/28/89/16/1167288916.db2.gz BWXMFIYJJNLUOG-UHFFFAOYSA-N -1 1 317.309 0.399 20 0 DCADMM COCCOCc1noc(Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001591439071 1167288920 /nfs/dbraw/zinc/28/89/20/1167288920.db2.gz BWXMFIYJJNLUOG-UHFFFAOYSA-N -1 1 317.309 0.399 20 0 DCADMM CO[C@@H]1CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C[C@@H]1OC ZINC001591474068 1167304148 /nfs/dbraw/zinc/30/41/48/1167304148.db2.gz CTMWHTFIYRBSKW-PHIMTYICSA-N -1 1 319.325 0.139 20 0 DCADMM CO[C@@H]1CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C[C@@H]1OC ZINC001591474068 1167304154 /nfs/dbraw/zinc/30/41/54/1167304154.db2.gz CTMWHTFIYRBSKW-PHIMTYICSA-N -1 1 319.325 0.139 20 0 DCADMM COc1cc(-c2noc(-c3coc(-c4nnn[n-]4)c3)n2)ncn1 ZINC001591506215 1167315284 /nfs/dbraw/zinc/31/52/84/1167315284.db2.gz NRSHDUMMCGWMQF-UHFFFAOYSA-N -1 1 312.249 0.975 20 0 DCADMM COc1cc(-c2noc(-c3coc(-c4nn[n-]n4)c3)n2)ncn1 ZINC001591506215 1167315290 /nfs/dbraw/zinc/31/52/90/1167315290.db2.gz NRSHDUMMCGWMQF-UHFFFAOYSA-N -1 1 312.249 0.975 20 0 DCADMM COc1cccc(C(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)n1 ZINC001591632092 1167342414 /nfs/dbraw/zinc/34/24/14/1167342414.db2.gz ZGOXRVSOCZJZIE-UHFFFAOYSA-N -1 1 312.289 0.315 20 0 DCADMM COc1ncc(NC(=O)[C@@H]2CCSC2)cc1-c1nn[n-]n1 ZINC001591663935 1167344105 /nfs/dbraw/zinc/34/41/05/1167344105.db2.gz DTPOOHZORLPSNL-SSDOTTSWSA-N -1 1 306.351 0.962 20 0 DCADMM CS(=O)(=O)CC1(CNc2cc(-c3nnn[n-]3)ncn2)CCC1 ZINC001591672923 1167347745 /nfs/dbraw/zinc/34/77/45/1167347745.db2.gz JHLQKGHSFHOSSY-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM CS(=O)(=O)CC1(CNc2cc(-c3nn[n-]n3)ncn2)CCC1 ZINC001591672923 1167347749 /nfs/dbraw/zinc/34/77/49/1167347749.db2.gz JHLQKGHSFHOSSY-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM CS(=O)(=O)CCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591675137 1167351144 /nfs/dbraw/zinc/35/11/44/1167351144.db2.gz WVKKGGKGVHRJFE-UHFFFAOYSA-N -1 1 322.803 0.823 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001591776494 1167374724 /nfs/dbraw/zinc/37/47/24/1167374724.db2.gz YOOYPQLEQPQFQJ-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001591776494 1167374730 /nfs/dbraw/zinc/37/47/30/1167374730.db2.gz YOOYPQLEQPQFQJ-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCc2nccs2)nn1C ZINC001591797125 1167382155 /nfs/dbraw/zinc/38/21/55/1167382155.db2.gz QXKGTYRUIMLPRP-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCc2nccs2)nn1C ZINC001591797125 1167382159 /nfs/dbraw/zinc/38/21/59/1167382159.db2.gz QXKGTYRUIMLPRP-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1c([C@H](C)NC(=O)c2coc(-c3nnn[n-]3)c2)cnn1C ZINC001591813260 1167386942 /nfs/dbraw/zinc/38/69/42/1167386942.db2.gz DGRZNHGDEBSTMB-ZETCQYMHSA-N -1 1 301.310 0.993 20 0 DCADMM Cc1c([C@H](C)NC(=O)c2coc(-c3nn[n-]n3)c2)cnn1C ZINC001591813260 1167386944 /nfs/dbraw/zinc/38/69/44/1167386944.db2.gz DGRZNHGDEBSTMB-ZETCQYMHSA-N -1 1 301.310 0.993 20 0 DCADMM Cc1c2cc[nH]c2ncc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001591825673 1167388408 /nfs/dbraw/zinc/38/84/08/1167388408.db2.gz RQCMDFWEDHIFHG-UHFFFAOYSA-N -1 1 324.308 0.233 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(Cc3cnn(C)c3)C2)n1 ZINC001591884072 1167409458 /nfs/dbraw/zinc/40/94/58/1167409458.db2.gz NJPMUTALWUCEIE-UHFFFAOYSA-N -1 1 311.353 0.378 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(Cc3cnn(C)c3)C2)n1 ZINC001591884072 1167409469 /nfs/dbraw/zinc/40/94/69/1167409469.db2.gz NJPMUTALWUCEIE-UHFFFAOYSA-N -1 1 311.353 0.378 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H]3CCCCN3C2=O)n1 ZINC001591892945 1167413868 /nfs/dbraw/zinc/41/38/68/1167413868.db2.gz UUZZZCFODSJPBA-KOLCDFICSA-N -1 1 314.353 0.530 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H]3CCCCN3C2=O)n1 ZINC001591892945 1167413872 /nfs/dbraw/zinc/41/38/72/1167413872.db2.gz UUZZZCFODSJPBA-KOLCDFICSA-N -1 1 314.353 0.530 20 0 DCADMM Cc1cc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)on1 ZINC001591969344 1167427947 /nfs/dbraw/zinc/42/79/47/1167427947.db2.gz ZOMZTEQYLSUEPS-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1cc(CS(=O)(=O)Oc2cccnc2-c2nn[n-]n2)on1 ZINC001591973414 1167428374 /nfs/dbraw/zinc/42/83/74/1167428374.db2.gz XHKMIEWQCPQLDI-UHFFFAOYSA-N -1 1 322.306 0.467 20 0 DCADMM Cc1cc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c[nH]c1=O ZINC001592016718 1167435395 /nfs/dbraw/zinc/43/53/95/1167435395.db2.gz WSBAUHWXNOFJBN-SSDOTTSWSA-N -1 1 315.297 0.067 20 0 DCADMM Cc1cc(NC(=O)COc2cccnc2-c2nnn[n-]2)no1 ZINC001592017706 1167436956 /nfs/dbraw/zinc/43/69/56/1167436956.db2.gz CCGFSASDTSIAPT-UHFFFAOYSA-N -1 1 301.266 0.576 20 0 DCADMM Cc1cc(NC(=O)COc2cccnc2-c2nn[n-]n2)no1 ZINC001592017706 1167436957 /nfs/dbraw/zinc/43/69/57/1167436957.db2.gz CCGFSASDTSIAPT-UHFFFAOYSA-N -1 1 301.266 0.576 20 0 DCADMM Cc1cc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)no1 ZINC001592026978 1167438509 /nfs/dbraw/zinc/43/85/09/1167438509.db2.gz HTIXVOIGJUUKMJ-UHFFFAOYSA-N -1 1 306.311 0.941 20 0 DCADMM Cc1cc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)no1 ZINC001592026978 1167438513 /nfs/dbraw/zinc/43/85/13/1167438513.db2.gz HTIXVOIGJUUKMJ-UHFFFAOYSA-N -1 1 306.311 0.941 20 0 DCADMM Cc1cc(N[C@H](CO)C[C@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001592035674 1167441449 /nfs/dbraw/zinc/44/14/49/1167441449.db2.gz LGAWIQMADBLZEQ-NWDGAFQWSA-N -1 1 304.354 0.334 20 0 DCADMM Cc1cc(N[C@H](CO)C[C@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001592035674 1167441452 /nfs/dbraw/zinc/44/14/52/1167441452.db2.gz LGAWIQMADBLZEQ-NWDGAFQWSA-N -1 1 304.354 0.334 20 0 DCADMM Cc1ccc(C(=O)Cn2cnc(-c3nn[n-]n3)cc2=O)cc1C ZINC001592115426 1167457344 /nfs/dbraw/zinc/45/73/44/1167457344.db2.gz HIWWONBZWZWFEE-UHFFFAOYSA-N -1 1 310.317 0.923 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001592110223 1167457958 /nfs/dbraw/zinc/45/79/58/1167457958.db2.gz LOVLBAGZQQZNLL-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001592110223 1167457965 /nfs/dbraw/zinc/45/79/65/1167457965.db2.gz LOVLBAGZQQZNLL-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c(O)c1 ZINC001592179959 1167470099 /nfs/dbraw/zinc/47/00/99/1167470099.db2.gz ZKCWERVKCPOAAM-QMMMGPOBSA-N -1 1 314.309 0.672 20 0 DCADMM Cc1ccc(N2CCc3nn(C)c(=O)cc3C2)c(-c2nnn[n-]2)n1 ZINC001592177268 1167471684 /nfs/dbraw/zinc/47/16/84/1167471684.db2.gz PCMVJMCSBXGXAI-UHFFFAOYSA-N -1 1 324.348 0.227 20 0 DCADMM Cc1ccc(N2CCc3nn(C)c(=O)cc3C2)c(-c2nn[n-]n2)n1 ZINC001592177268 1167471691 /nfs/dbraw/zinc/47/16/91/1167471691.db2.gz PCMVJMCSBXGXAI-UHFFFAOYSA-N -1 1 324.348 0.227 20 0 DCADMM Cc1cccc(F)c1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592231967 1167479056 /nfs/dbraw/zinc/47/90/56/1167479056.db2.gz KUVCVWCCMQCKMO-UHFFFAOYSA-N -1 1 316.300 0.336 20 0 DCADMM Cc1ccn(Cc2nc(C(F)F)no2)c(=O)c1-c1nn[n-]n1 ZINC001592266103 1167480595 /nfs/dbraw/zinc/48/05/95/1167480595.db2.gz UZTZQTHPPIPHKZ-UHFFFAOYSA-N -1 1 309.236 0.706 20 0 DCADMM Cc1cn2ccnc(C(=O)Nc3n[nH]c(C)c3-c3nn[n-]n3)c2n1 ZINC001592288067 1167484369 /nfs/dbraw/zinc/48/43/69/1167484369.db2.gz LTQVBBIQGWPJLF-UHFFFAOYSA-N -1 1 324.308 0.502 20 0 DCADMM Cc1ccncc1N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001592279098 1167485079 /nfs/dbraw/zinc/48/50/79/1167485079.db2.gz GVBOIJPSEYDSQH-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1ccncc1N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001592279098 1167485085 /nfs/dbraw/zinc/48/50/85/1167485085.db2.gz GVBOIJPSEYDSQH-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1[nH]nc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c1C ZINC001592324801 1167488551 /nfs/dbraw/zinc/48/85/51/1167488551.db2.gz SDETUDDIRIFBAI-UHFFFAOYSA-N -1 1 304.339 0.593 20 0 DCADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001592327408 1167489659 /nfs/dbraw/zinc/48/96/59/1167489659.db2.gz ITPZGMHLTSIOEI-YFKPBYRVSA-N -1 1 315.341 0.980 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccc3nncn3c2)c1-c1nn[n-]n1 ZINC001592332509 1167490553 /nfs/dbraw/zinc/49/05/53/1167490553.db2.gz IJKRLRQJOYTCFK-UHFFFAOYSA-N -1 1 310.281 0.193 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnc3nccn3c2)c1-c1nn[n-]n1 ZINC001592330552 1167490722 /nfs/dbraw/zinc/49/07/22/1167490722.db2.gz JNJOZRZFHUJHCV-UHFFFAOYSA-N -1 1 310.281 0.193 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cc3cccn3cn2)c1-c1nn[n-]n1 ZINC001592333032 1167491634 /nfs/dbraw/zinc/49/16/34/1167491634.db2.gz YUIDVZGVENRPGR-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1nc(C)n(C2CN(C(=O)c3ccc(-c4nnn[n-]4)o3)C2)n1 ZINC001592357250 1167504079 /nfs/dbraw/zinc/50/40/79/1167504079.db2.gz HUZHUECCTGPMDK-UHFFFAOYSA-N -1 1 314.309 0.365 20 0 DCADMM Cc1nc(C)n(C2CN(C(=O)c3ccc(-c4nn[n-]n4)o3)C2)n1 ZINC001592357250 1167504086 /nfs/dbraw/zinc/50/40/86/1167504086.db2.gz HUZHUECCTGPMDK-UHFFFAOYSA-N -1 1 314.309 0.365 20 0 DCADMM Cc1nccnc1N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592420172 1167516592 /nfs/dbraw/zinc/51/65/92/1167516592.db2.gz SKQSHHGSTOGMLZ-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nccnc1N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001592420116 1167516789 /nfs/dbraw/zinc/51/67/89/1167516789.db2.gz QROWYRLCCIZHQD-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nccnc1N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001592420116 1167516795 /nfs/dbraw/zinc/51/67/95/1167516795.db2.gz QROWYRLCCIZHQD-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nccnc1CCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592420064 1167518642 /nfs/dbraw/zinc/51/86/42/1167518642.db2.gz OMJIMPLZCJBHKQ-UHFFFAOYSA-N -1 1 311.305 0.760 20 0 DCADMM Cc1nccnc1CCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592420064 1167518647 /nfs/dbraw/zinc/51/86/47/1167518647.db2.gz OMJIMPLZCJBHKQ-UHFFFAOYSA-N -1 1 311.305 0.760 20 0 DCADMM Cc1nn(C)c(NC(=O)COC2CCCC2)c1-c1nnn[n-]1 ZINC001592433801 1167519647 /nfs/dbraw/zinc/51/96/47/1167519647.db2.gz JTNLNNQAYHRGQA-UHFFFAOYSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1nn(C)c(NC(=O)COC2CCCC2)c1-c1nn[n-]n1 ZINC001592433801 1167519654 /nfs/dbraw/zinc/51/96/54/1167519654.db2.gz JTNLNNQAYHRGQA-UHFFFAOYSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1nn(C)cc1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592434733 1167520802 /nfs/dbraw/zinc/52/08/02/1167520802.db2.gz BJLAQMGNUOPOBP-UHFFFAOYSA-N -1 1 305.323 0.722 20 0 DCADMM Cc1nn(C)cc1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592434733 1167520805 /nfs/dbraw/zinc/52/08/05/1167520805.db2.gz BJLAQMGNUOPOBP-UHFFFAOYSA-N -1 1 305.323 0.722 20 0 DCADMM Cc1nn(C)c(NC(=O)COC[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC001592434063 1167521098 /nfs/dbraw/zinc/52/10/98/1167521098.db2.gz ORXQRJOGGYQDKW-SECBINFHSA-N -1 1 321.341 0.043 20 0 DCADMM Cc1nn(C)c(NC(=O)COC[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC001592434063 1167521103 /nfs/dbraw/zinc/52/11/03/1167521103.db2.gz ORXQRJOGGYQDKW-SECBINFHSA-N -1 1 321.341 0.043 20 0 DCADMM Cc1nn(CC(=O)OCc2ccc(-c3nn[n-]n3)s2)c(=O)o1 ZINC001592438435 1167522032 /nfs/dbraw/zinc/52/20/32/1167522032.db2.gz AHGCPXCLNGDYPD-UHFFFAOYSA-N -1 1 322.306 0.130 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H](C)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC001592443314 1167524757 /nfs/dbraw/zinc/52/47/57/1167524757.db2.gz XYCFPTZMKATCPZ-SSDOTTSWSA-N -1 1 315.341 0.384 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H](C)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC001592443314 1167524764 /nfs/dbraw/zinc/52/47/64/1167524764.db2.gz XYCFPTZMKATCPZ-SSDOTTSWSA-N -1 1 315.341 0.384 20 0 DCADMM Cc1noc(C)c1S(=O)(=O)Oc1cccnc1-c1nn[n-]n1 ZINC001592459347 1167529126 /nfs/dbraw/zinc/52/91/26/1167529126.db2.gz GLDTUAPPCJCDCA-UHFFFAOYSA-N -1 1 322.306 0.634 20 0 DCADMM Cc1nsc(N(C)C(=O)c2ccn(C)n2)c1-c1nnn[n-]1 ZINC001592468043 1167531618 /nfs/dbraw/zinc/53/16/18/1167531618.db2.gz YFWFYJOOPSGQTK-UHFFFAOYSA-N -1 1 304.339 0.642 20 0 DCADMM Cc1nsc(N(C)C(=O)c2ccn(C)n2)c1-c1nn[n-]n1 ZINC001592468043 1167531623 /nfs/dbraw/zinc/53/16/23/1167531623.db2.gz YFWFYJOOPSGQTK-UHFFFAOYSA-N -1 1 304.339 0.642 20 0 DCADMM Cc1nsc(NC(=O)NC[C@@H](O)C2CC2)c1-c1nnn[n-]1 ZINC001592481198 1167534140 /nfs/dbraw/zinc/53/41/40/1167534140.db2.gz IDHWVTNSXYWBGO-SSDOTTSWSA-N -1 1 309.355 0.524 20 0 DCADMM Cc1nsc(NC(=O)NC[C@@H](O)C2CC2)c1-c1nn[n-]n1 ZINC001592481198 1167534146 /nfs/dbraw/zinc/53/41/46/1167534146.db2.gz IDHWVTNSXYWBGO-SSDOTTSWSA-N -1 1 309.355 0.524 20 0 DCADMM Cc1nsc(N2CCO[C@H](C(=O)C3CC3)C2)c1-c1nn[n-]n1 ZINC001592476402 1167535515 /nfs/dbraw/zinc/53/55/15/1167535515.db2.gz HBQMXEJNKNZWRI-VIFPVBQESA-N -1 1 320.378 0.816 20 0 DCADMM Cc1nsc(NCc2nc3ncccn3n2)c1-c1nn[n-]n1 ZINC001592493523 1167537987 /nfs/dbraw/zinc/53/79/87/1167537987.db2.gz FWCFKDRPEHPKPD-UHFFFAOYSA-N -1 1 314.338 0.681 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001592500080 1167540323 /nfs/dbraw/zinc/54/03/23/1167540323.db2.gz KKLFKMDHJRRYKA-ULHKAFAUSA-N -1 1 301.306 0.674 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001592500080 1167540327 /nfs/dbraw/zinc/54/03/27/1167540327.db2.gz KKLFKMDHJRRYKA-ULHKAFAUSA-N -1 1 301.306 0.674 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC001592503887 1167545521 /nfs/dbraw/zinc/54/55/21/1167545521.db2.gz ZJWNQRJTZLHBRD-VIFPVBQESA-N -1 1 313.321 0.779 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC001592503887 1167545526 /nfs/dbraw/zinc/54/55/26/1167545526.db2.gz ZJWNQRJTZLHBRD-VIFPVBQESA-N -1 1 313.321 0.779 20 0 DCADMM Cc1onc(CC(=O)N[C@@](C)(CO)C(C)C)c1-c1nnn[n-]1 ZINC001592516008 1167547759 /nfs/dbraw/zinc/54/77/59/1167547759.db2.gz WPSUCYBIFKECKT-ZDUSSCGKSA-N -1 1 308.342 0.229 20 0 DCADMM Cc1onc(CC(=O)N[C@@](C)(CO)C(C)C)c1-c1nn[n-]n1 ZINC001592516008 1167547762 /nfs/dbraw/zinc/54/77/62/1167547762.db2.gz WPSUCYBIFKECKT-ZDUSSCGKSA-N -1 1 308.342 0.229 20 0 DCADMM Cc1onc(CC(=O)N2CC3(C2)CCCO3)c1-c1nnn[n-]1 ZINC001592516211 1167548352 /nfs/dbraw/zinc/54/83/52/1167548352.db2.gz YDMIPHUDVKQKHH-UHFFFAOYSA-N -1 1 304.310 0.097 20 0 DCADMM Cc1onc(CC(=O)N2CC3(C2)CCCO3)c1-c1nn[n-]n1 ZINC001592516211 1167548358 /nfs/dbraw/zinc/54/83/58/1167548358.db2.gz YDMIPHUDVKQKHH-UHFFFAOYSA-N -1 1 304.310 0.097 20 0 DCADMM Cn1c(=O)[nH]c(NCCC[C@@H]2C=CCC2)c(-c2nn[n-]n2)c1=O ZINC001592545689 1167551423 /nfs/dbraw/zinc/55/14/23/1167551423.db2.gz JHJVTNQGFGDFNO-SECBINFHSA-N -1 1 317.353 0.824 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCC(=O)OC(C)(C)C)n1 ZINC001592559048 1167558049 /nfs/dbraw/zinc/55/80/49/1167558049.db2.gz VARSGUYSQQDHKB-UHFFFAOYSA-N -1 1 321.341 0.661 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCC(=O)OC(C)(C)C)n1 ZINC001592559048 1167558054 /nfs/dbraw/zinc/55/80/54/1167558054.db2.gz VARSGUYSQQDHKB-UHFFFAOYSA-N -1 1 321.341 0.661 20 0 DCADMM Cn1c(Cl)cnc1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592553643 1167558286 /nfs/dbraw/zinc/55/82/86/1167558286.db2.gz IHFXPAZUNGNRRT-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM Cn1c(Cl)cnc1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592553643 1167558291 /nfs/dbraw/zinc/55/82/91/1167558291.db2.gz IHFXPAZUNGNRRT-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@]2(C)CCCCO2)n1 ZINC001592559626 1167560010 /nfs/dbraw/zinc/56/00/10/1167560010.db2.gz BQILKZBYWYNENT-ZDUSSCGKSA-N -1 1 320.357 0.681 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@]2(C)CCCCO2)n1 ZINC001592559626 1167560014 /nfs/dbraw/zinc/56/00/14/1167560014.db2.gz BQILKZBYWYNENT-ZDUSSCGKSA-N -1 1 320.357 0.681 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](CO)CC2CCC2)n1 ZINC001592559523 1167561248 /nfs/dbraw/zinc/56/12/48/1167561248.db2.gz UXHNOBPHSWWVJB-SECBINFHSA-N -1 1 320.357 0.273 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](CO)CC2CCC2)n1 ZINC001592559523 1167561256 /nfs/dbraw/zinc/56/12/56/1167561256.db2.gz UXHNOBPHSWWVJB-SECBINFHSA-N -1 1 320.357 0.273 20 0 DCADMM Cn1cc(N2CC[C@H](Nc3ccnc(-c4nnn[n-]4)c3)C2)cn1 ZINC001592576886 1167568592 /nfs/dbraw/zinc/56/85/92/1167568592.db2.gz XECUVEUIVMDXEY-NSHDSACASA-N -1 1 311.353 0.108 20 0 DCADMM Cn1cc(N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)c3)C2)cn1 ZINC001592576886 1167568599 /nfs/dbraw/zinc/56/85/99/1167568599.db2.gz XECUVEUIVMDXEY-NSHDSACASA-N -1 1 311.353 0.108 20 0 DCADMM Cn1cncc1CCOC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592590537 1167572371 /nfs/dbraw/zinc/57/23/71/1167572371.db2.gz ONIQNYIBRHLFLZ-UHFFFAOYSA-N -1 1 313.321 0.324 20 0 DCADMM Cn1nc(N)c2c1CN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001592595070 1167575989 /nfs/dbraw/zinc/57/59/89/1167575989.db2.gz QDJYMTXPPCSDNY-UHFFFAOYSA-N -1 1 324.352 0.370 20 0 DCADMM Cn1nc(N)c2c1CN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001592595070 1167575994 /nfs/dbraw/zinc/57/59/94/1167575994.db2.gz QDJYMTXPPCSDNY-UHFFFAOYSA-N -1 1 324.352 0.370 20 0 DCADMM Cn1nccc1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592607904 1167580442 /nfs/dbraw/zinc/58/04/42/1167580442.db2.gz UZYHEJSSHMDQQX-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1nccc1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592607904 1167580450 /nfs/dbraw/zinc/58/04/50/1167580450.db2.gz UZYHEJSSHMDQQX-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM FC(F)(F)[C@@H]1CCC[C@H](Cn2cc(-c3nn[n-]n3)nn2)O1 ZINC001592613731 1167587844 /nfs/dbraw/zinc/58/78/44/1167587844.db2.gz JWMNVQNAXYBSQB-SVRRBLITSA-N -1 1 303.248 0.958 20 0 DCADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1ccnc(-c2nn[n-]n2)n1 ZINC001592631624 1167590405 /nfs/dbraw/zinc/59/04/05/1167590405.db2.gz UTEKQEGUFYJOFX-HQJQHLMTSA-N -1 1 309.280 0.305 20 0 DCADMM NC(=O)[C@H]1CCCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592720687 1167614676 /nfs/dbraw/zinc/61/46/76/1167614676.db2.gz OZPOVGNAZCFRFC-DTWKUNHWSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@H]1CCCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592720687 1167614678 /nfs/dbraw/zinc/61/46/78/1167614678.db2.gz OZPOVGNAZCFRFC-DTWKUNHWSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@H]1C[C@H](NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001592734260 1167621020 /nfs/dbraw/zinc/62/10/20/1167621020.db2.gz AVWWMWPCBUPIER-KBTIHESUSA-N -1 1 322.275 0.139 20 0 DCADMM NC(=O)[C@H]1C[C@H](NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001592734260 1167621021 /nfs/dbraw/zinc/62/10/21/1167621021.db2.gz AVWWMWPCBUPIER-KBTIHESUSA-N -1 1 322.275 0.139 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@]12CCO[C@@H]1CCCC2 ZINC001592753609 1167631804 /nfs/dbraw/zinc/63/18/04/1167631804.db2.gz DCXJJRWJVHGRNK-NOZJJQNGSA-N -1 1 303.326 0.635 20 0 DCADMM Nc1nc2c(s1)CN(c1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001592762680 1167637696 /nfs/dbraw/zinc/63/76/96/1167637696.db2.gz NIIYDJNGLJYGNB-UHFFFAOYSA-N -1 1 301.339 0.258 20 0 DCADMM Nc1nc2c(s1)CN(c1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001592762680 1167637698 /nfs/dbraw/zinc/63/76/98/1167637698.db2.gz NIIYDJNGLJYGNB-UHFFFAOYSA-N -1 1 301.339 0.258 20 0 DCADMM O=C(C1CC1)[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001592773930 1167641118 /nfs/dbraw/zinc/64/11/18/1167641118.db2.gz OMERTHHSMOGWLJ-SNVBAGLBSA-N -1 1 320.378 0.503 20 0 DCADMM O=C(C1CC1)[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001592773930 1167641120 /nfs/dbraw/zinc/64/11/20/1167641120.db2.gz OMERTHHSMOGWLJ-SNVBAGLBSA-N -1 1 320.378 0.503 20 0 DCADMM O=C(CC1OCCCO1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592827360 1167647038 /nfs/dbraw/zinc/64/70/38/1167647038.db2.gz XBNLVBFUMNERIN-UHFFFAOYSA-N -1 1 304.310 0.031 20 0 DCADMM O=C(CC1OCCCO1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592827360 1167647040 /nfs/dbraw/zinc/64/70/40/1167647040.db2.gz XBNLVBFUMNERIN-UHFFFAOYSA-N -1 1 304.310 0.031 20 0 DCADMM O=C(C[C@@H]1COC(=O)C1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592826555 1167647547 /nfs/dbraw/zinc/64/75/47/1167647547.db2.gz KKKOBQVAWQVECL-SSDOTTSWSA-N -1 1 308.319 0.925 20 0 DCADMM O=C(CCCNC(=O)c1ccnc(-c2nnn[n-]2)c1)NC1CC1 ZINC001592837610 1167649380 /nfs/dbraw/zinc/64/93/80/1167649380.db2.gz QRHUFEOMXFVVJK-UHFFFAOYSA-N -1 1 315.337 0.050 20 0 DCADMM O=C(CCCNC(=O)c1ccnc(-c2nn[n-]n2)c1)NC1CC1 ZINC001592837610 1167649384 /nfs/dbraw/zinc/64/93/84/1167649384.db2.gz QRHUFEOMXFVVJK-UHFFFAOYSA-N -1 1 315.337 0.050 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001592939415 1167669845 /nfs/dbraw/zinc/66/98/45/1167669845.db2.gz AJYIHJZYKSCGCP-PRJMDXOYSA-N -1 1 324.295 0.008 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CC(F)F)C1CCC1 ZINC001592940769 1167669870 /nfs/dbraw/zinc/66/98/70/1167669870.db2.gz YUGIRZSFJOSBKU-UHFFFAOYSA-N -1 1 312.284 0.104 20 0 DCADMM O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC001592953213 1167671467 /nfs/dbraw/zinc/67/14/67/1167671467.db2.gz CGLYPOJZNPXXGR-BDAKNGLRSA-N -1 1 323.378 0.588 20 0 DCADMM O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC001592953213 1167671471 /nfs/dbraw/zinc/67/14/71/1167671471.db2.gz CGLYPOJZNPXXGR-BDAKNGLRSA-N -1 1 323.378 0.588 20 0 DCADMM O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1coc(-c2nnn[n-]2)c1 ZINC001592972276 1167676611 /nfs/dbraw/zinc/67/66/11/1167676611.db2.gz JMAJZFLJIXJTTA-NXEZZACHSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1coc(-c2nn[n-]n2)c1 ZINC001592972276 1167676622 /nfs/dbraw/zinc/67/66/22/1167676622.db2.gz JMAJZFLJIXJTTA-NXEZZACHSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@@H]1CC12CCOCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001592969112 1167677000 /nfs/dbraw/zinc/67/70/00/1167677000.db2.gz SRFHBPOUWJHFIM-LLVKDONJSA-N -1 1 300.322 0.561 20 0 DCADMM O=C(N[C@@H]1CC12CCOCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001592969112 1167677004 /nfs/dbraw/zinc/67/70/04/1167677004.db2.gz SRFHBPOUWJHFIM-LLVKDONJSA-N -1 1 300.322 0.561 20 0 DCADMM O=C(N[C@@H]1CCCC12OCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC001592976733 1167678805 /nfs/dbraw/zinc/67/88/05/1167678805.db2.gz GKFICQXZMUJWST-LLVKDONJSA-N -1 1 316.321 0.287 20 0 DCADMM O=C(N[C@@H]1CCCC12OCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC001592976733 1167678809 /nfs/dbraw/zinc/67/88/09/1167678809.db2.gz GKFICQXZMUJWST-LLVKDONJSA-N -1 1 316.321 0.287 20 0 DCADMM O=C(NC[C@H](O)c1cccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593014027 1167689090 /nfs/dbraw/zinc/68/90/90/1167689090.db2.gz SRRLKRFZWKYUQU-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NC[C@H](O)c1cccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593014027 1167689095 /nfs/dbraw/zinc/68/90/95/1167689095.db2.gz SRRLKRFZWKYUQU-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NCC1=CCCOC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593021595 1167689330 /nfs/dbraw/zinc/68/93/30/1167689330.db2.gz LIYWHEQGBKEMNN-UHFFFAOYSA-N -1 1 320.740 0.992 20 0 DCADMM O=C(NCc1nccnc1Cl)c1ccc(-c2nnn[n-]2)o1 ZINC001593153546 1167729658 /nfs/dbraw/zinc/72/96/58/1167729658.db2.gz BJBWNSBNTXJUER-UHFFFAOYSA-N -1 1 305.685 0.833 20 0 DCADMM O=C(NCc1nccnc1Cl)c1ccc(-c2nn[n-]n2)o1 ZINC001593153546 1167729669 /nfs/dbraw/zinc/72/96/69/1167729669.db2.gz BJBWNSBNTXJUER-UHFFFAOYSA-N -1 1 305.685 0.833 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc(-n2cccn2)ccn1 ZINC001593197904 1167736418 /nfs/dbraw/zinc/73/64/18/1167736418.db2.gz RJCQIIOGXXUSFC-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc(-n2cccn2)ccn1 ZINC001593197904 1167736427 /nfs/dbraw/zinc/73/64/27/1167736427.db2.gz RJCQIIOGXXUSFC-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1ccc(-n2nccn2)nc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593223458 1167741149 /nfs/dbraw/zinc/74/11/49/1167741149.db2.gz JIJVKEKPAPFIIC-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCc2nncn2C1 ZINC001593267461 1167750767 /nfs/dbraw/zinc/75/07/67/1167750767.db2.gz GRXDUHZUUDJGGP-LURJTMIESA-N -1 1 317.338 0.116 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCc2nncn2C1 ZINC001593267461 1167750771 /nfs/dbraw/zinc/75/07/71/1167750771.db2.gz GRXDUHZUUDJGGP-LURJTMIESA-N -1 1 317.338 0.116 20 0 DCADMM O=C([O-])[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)[C@@H]1CCCO1 ZINC001593275446 1167751552 /nfs/dbraw/zinc/75/15/52/1167751552.db2.gz DRKYQXDXGYKIAX-NWDGAFQWSA-N -1 1 321.312 0.728 20 0 DCADMM O=C(O[C@@H]1CCN(CCF)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001593281154 1167754747 /nfs/dbraw/zinc/75/47/47/1167754747.db2.gz PRRSGGBXQRKZOV-SECBINFHSA-N -1 1 306.301 0.462 20 0 DCADMM O=C(COC(=O)c1ccnc(-c2nnn[n-]2)c1)N1CCCCC1 ZINC001593280009 1167756365 /nfs/dbraw/zinc/75/63/65/1167756365.db2.gz ALBPFFVISXQHDN-UHFFFAOYSA-N -1 1 316.321 0.431 20 0 DCADMM O=C(COC(=O)c1ccnc(-c2nn[n-]n2)c1)N1CCCCC1 ZINC001593280009 1167756371 /nfs/dbraw/zinc/75/63/71/1167756371.db2.gz ALBPFFVISXQHDN-UHFFFAOYSA-N -1 1 316.321 0.431 20 0 DCADMM O=C(OC[C@H]1CCC2(COC2)O1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593283722 1167757499 /nfs/dbraw/zinc/75/74/99/1167757499.db2.gz HFRQYDGGCHQVHO-SNVBAGLBSA-N -1 1 317.305 0.367 20 0 DCADMM O=C(OC[C@H]1CCC2(COC2)O1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593283722 1167757507 /nfs/dbraw/zinc/75/75/07/1167757507.db2.gz HFRQYDGGCHQVHO-SNVBAGLBSA-N -1 1 317.305 0.367 20 0 DCADMM O=C(OCCCO)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593287570 1167761296 /nfs/dbraw/zinc/76/12/96/1167761296.db2.gz IIFGTIMMUVKWLE-UHFFFAOYSA-N -1 1 317.227 0.820 20 0 DCADMM O=C(OCCO[C@@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593290049 1167762573 /nfs/dbraw/zinc/76/25/73/1167762573.db2.gz DLJJMPKTPJZEDY-SECBINFHSA-N -1 1 311.248 0.843 20 0 DCADMM O=C(OCCO[C@@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593290049 1167762580 /nfs/dbraw/zinc/76/25/80/1167762580.db2.gz DLJJMPKTPJZEDY-SECBINFHSA-N -1 1 311.248 0.843 20 0 DCADMM O=C(OCc1cn2cccnc2n1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593303871 1167767387 /nfs/dbraw/zinc/76/73/87/1167767387.db2.gz PWWGTFGYSRPSKU-UHFFFAOYSA-N -1 1 322.288 0.661 20 0 DCADMM O=C(OCc1cn2cccnc2n1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593303871 1167767398 /nfs/dbraw/zinc/76/73/98/1167767398.db2.gz PWWGTFGYSRPSKU-UHFFFAOYSA-N -1 1 322.288 0.661 20 0 DCADMM O=C(OCc1cnn(CCF)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593302830 1167767601 /nfs/dbraw/zinc/76/76/01/1167767601.db2.gz DMPGHKWOHSYWNN-UHFFFAOYSA-N -1 1 306.257 0.983 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCOC[C@@H]1C(F)(F)F ZINC001593338534 1167779812 /nfs/dbraw/zinc/77/98/12/1167779812.db2.gz BNRUMNZEPCZWKA-MRVPVSSYSA-N -1 1 317.227 0.863 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCOC[C@@H]1C(F)(F)F ZINC001593338534 1167779818 /nfs/dbraw/zinc/77/98/18/1167779818.db2.gz BNRUMNZEPCZWKA-MRVPVSSYSA-N -1 1 317.227 0.863 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@](O)(C(F)F)C1 ZINC001593339487 1167780925 /nfs/dbraw/zinc/78/09/25/1167780925.db2.gz SKQZWUVFZPQXKC-LLVKDONJSA-N -1 1 315.305 0.770 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@](O)(C(F)F)C1 ZINC001593339487 1167780929 /nfs/dbraw/zinc/78/09/29/1167780929.db2.gz SKQZWUVFZPQXKC-LLVKDONJSA-N -1 1 315.305 0.770 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC001593340166 1167782747 /nfs/dbraw/zinc/78/27/47/1167782747.db2.gz DKVOUXNUOYJFNA-PCVAMMEBSA-N -1 1 321.362 0.585 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC001593340166 1167782753 /nfs/dbraw/zinc/78/27/53/1167782753.db2.gz DKVOUXNUOYJFNA-PCVAMMEBSA-N -1 1 321.362 0.585 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC(Oc2nccs2)C1 ZINC001593368285 1167788335 /nfs/dbraw/zinc/78/83/35/1167788335.db2.gz XZFBVCIZVYNCIR-UHFFFAOYSA-N -1 1 318.318 0.820 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC(Oc2nccs2)C1 ZINC001593368285 1167788341 /nfs/dbraw/zinc/78/83/41/1167788341.db2.gz XZFBVCIZVYNCIR-UHFFFAOYSA-N -1 1 318.318 0.820 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC(n2ccnn2)C1 ZINC001593371557 1167792091 /nfs/dbraw/zinc/79/20/91/1167792091.db2.gz UBTCITRGNKZCJA-UHFFFAOYSA-N -1 1 302.323 0.217 20 0 DCADMM O=C1CCCc2c1cn(Cc1ccccn1)c(=O)c2-c1nn[n-]n1 ZINC001593395352 1167810700 /nfs/dbraw/zinc/81/07/00/1167810700.db2.gz DTXBZLBEJGBZBD-UHFFFAOYSA-N -1 1 322.328 0.991 20 0 DCADMM O=C1OC[C@@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]12 ZINC001593421845 1167831395 /nfs/dbraw/zinc/83/13/95/1167831395.db2.gz IIFLQVLURAMTIB-WHFBIAKZSA-N -1 1 312.742 0.586 20 0 DCADMM O=S(=O)(Cc1nc(-c2nnn[n-]2)cs1)c1cccnc1 ZINC001593429284 1167839182 /nfs/dbraw/zinc/83/91/82/1167839182.db2.gz RCUHPOXCIIGVHF-UHFFFAOYSA-N -1 1 308.348 0.692 20 0 DCADMM O=S(=O)(Cc1nc(-c2nn[n-]n2)cs1)c1cccnc1 ZINC001593429284 1167839202 /nfs/dbraw/zinc/83/92/02/1167839202.db2.gz RCUHPOXCIIGVHF-UHFFFAOYSA-N -1 1 308.348 0.692 20 0 DCADMM O=S(=O)(NCc1cocn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593443829 1167843065 /nfs/dbraw/zinc/84/30/65/1167843065.db2.gz ZWCROJZTEJGSIU-UHFFFAOYSA-N -1 1 324.297 0.472 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@@H]1CCC2(CCCC2)O1 ZINC001593489151 1167874358 /nfs/dbraw/zinc/87/43/58/1167874358.db2.gz BLYOOXPTNPRSIT-VIFPVBQESA-N -1 1 318.337 0.621 20 0 DCADMM O=c1[n-]c(C2CC[NH+](Cc3ccc(-c4nn[n-]n4)o3)CC2)n[nH]1 ZINC001593497444 1167879430 /nfs/dbraw/zinc/87/94/30/1167879430.db2.gz FLIIVWRLHQDCBY-UHFFFAOYSA-N -1 1 316.325 0.663 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1nnc(C2CC2)s1 ZINC001593496315 1167880971 /nfs/dbraw/zinc/88/09/71/1167880971.db2.gz IGGRQFSAAZLXOM-UHFFFAOYSA-N -1 1 301.335 0.806 20 0 DCADMM O=c1ccc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)n[nH]1 ZINC001593496227 1167881081 /nfs/dbraw/zinc/88/10/81/1167881081.db2.gz DZPXWMPPEQGZCS-UHFFFAOYSA-N -1 1 311.309 0.642 20 0 DCADMM O=c1ccc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)n[nH]1 ZINC001593496227 1167881088 /nfs/dbraw/zinc/88/10/88/1167881088.db2.gz DZPXWMPPEQGZCS-UHFFFAOYSA-N -1 1 311.309 0.642 20 0 DCADMM O[C@]1(C(F)(F)F)CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001593509549 1167889778 /nfs/dbraw/zinc/88/97/78/1167889778.db2.gz NTMPKUKRGBDTLB-SECBINFHSA-N -1 1 301.232 0.160 20 0 DCADMM O[C@]1(C(F)(F)F)CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001593509549 1167889783 /nfs/dbraw/zinc/88/97/83/1167889783.db2.gz NTMPKUKRGBDTLB-SECBINFHSA-N -1 1 301.232 0.160 20 0 DCADMM O[C@H]1C[C@@H](c2ccccc2)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001593518078 1167891789 /nfs/dbraw/zinc/89/17/89/1167891789.db2.gz QSNNQLRBKMPPOR-RYUDHWBXSA-N -1 1 309.333 0.969 20 0 DCADMM OC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC001593520492 1167895529 /nfs/dbraw/zinc/89/55/29/1167895529.db2.gz LBHDXPNPYHKDGT-IONNQARKSA-N -1 1 310.745 0.724 20 0 DCADMM OC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCOC1 ZINC001593520492 1167895536 /nfs/dbraw/zinc/89/55/36/1167895536.db2.gz LBHDXPNPYHKDGT-IONNQARKSA-N -1 1 310.745 0.724 20 0 DCADMM O[C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)[C@H]2CCCC[C@H]12 ZINC001593520397 1167896295 /nfs/dbraw/zinc/89/62/95/1167896295.db2.gz UVGQWJPJCHZJES-ZMLRMANQSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)[C@H]2CCCC[C@H]12 ZINC001593520397 1167896302 /nfs/dbraw/zinc/89/63/02/1167896302.db2.gz UVGQWJPJCHZJES-ZMLRMANQSA-N -1 1 301.354 0.787 20 0 DCADMM OC[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC001593525361 1167901134 /nfs/dbraw/zinc/90/11/34/1167901134.db2.gz UHZAPICGGGEXEW-IUCAKERBSA-N -1 1 324.772 0.972 20 0 DCADMM OC[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCOC1 ZINC001593525361 1167901145 /nfs/dbraw/zinc/90/11/45/1167901145.db2.gz UHZAPICGGGEXEW-IUCAKERBSA-N -1 1 324.772 0.972 20 0 DCADMM OC[C@@]1(O)CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001593523832 1167901742 /nfs/dbraw/zinc/90/17/42/1167901742.db2.gz CEMYCGZEBOHBKQ-GFCCVEGCSA-N -1 1 310.745 0.239 20 0 DCADMM OC[C@@]1(O)CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001593523832 1167901735 /nfs/dbraw/zinc/90/17/35/1167901735.db2.gz CEMYCGZEBOHBKQ-GFCCVEGCSA-N -1 1 310.745 0.239 20 0 DCADMM OC[C@H](CNc1cc(-c2nnn[n-]2)ncn1)Cc1ccco1 ZINC001593524858 1167902264 /nfs/dbraw/zinc/90/22/64/1167902264.db2.gz SWHIUTPALHHVQK-VIFPVBQESA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@H](CNc1cc(-c2nn[n-]n2)ncn1)Cc1ccco1 ZINC001593524858 1167902270 /nfs/dbraw/zinc/90/22/70/1167902270.db2.gz SWHIUTPALHHVQK-VIFPVBQESA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@]1(C(F)(F)F)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001593526880 1167903718 /nfs/dbraw/zinc/90/37/18/1167903718.db2.gz SMJJHKUEJJZRRT-JTQLQIEISA-N -1 1 315.259 0.408 20 0 DCADMM OC[C@]1(C(F)(F)F)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001593526880 1167903722 /nfs/dbraw/zinc/90/37/22/1167903722.db2.gz SMJJHKUEJJZRRT-JTQLQIEISA-N -1 1 315.259 0.408 20 0 DCADMM OCCCOC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001593531404 1167907742 /nfs/dbraw/zinc/90/77/42/1167907742.db2.gz NJXSVQKUDUWMGS-UHFFFAOYSA-N -1 1 305.342 0.025 20 0 DCADMM OCCCOC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001593531404 1167907745 /nfs/dbraw/zinc/90/77/45/1167907745.db2.gz NJXSVQKUDUWMGS-UHFFFAOYSA-N -1 1 305.342 0.025 20 0 DCADMM OCC[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H]1CO ZINC001593530538 1167908735 /nfs/dbraw/zinc/90/87/35/1167908735.db2.gz JWXYZPOGCPIOIN-RKDXNWHRSA-N -1 1 324.772 0.342 20 0 DCADMM OCC[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H]1CO ZINC001593530538 1167908740 /nfs/dbraw/zinc/90/87/40/1167908740.db2.gz JWXYZPOGCPIOIN-RKDXNWHRSA-N -1 1 324.772 0.342 20 0 DCADMM O[C@@H](COCc1ccccc1)Cn1cc(-c2nn[n-]n2)nn1 ZINC001593536536 1167919313 /nfs/dbraw/zinc/91/93/13/1167919313.db2.gz 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1169905067 /nfs/dbraw/zinc/90/50/67/1169905067.db2.gz YGBVLPLKFAIYHP-JOCHJYFZSA-N -1 1 317.334 0.071 20 0 DCADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(C)(C)C ZINC001605405513 1169913093 /nfs/dbraw/zinc/91/30/93/1169913093.db2.gz XEHPCLMPALPOSD-SSDOTTSWSA-N -1 1 307.358 0.111 20 0 DCADMM CCN1CCC(NC(=O)COCC(=O)[O-])(C(F)(F)F)CC1 ZINC001605472716 1169933245 /nfs/dbraw/zinc/93/32/45/1169933245.db2.gz XKGAKZOYPNTNCR-UHFFFAOYSA-N -1 1 312.288 0.621 20 0 DCADMM CCN1CCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1C ZINC001605480275 1169934651 /nfs/dbraw/zinc/93/46/51/1169934651.db2.gz RKVCOAGRYYLVCC-OLZOCXBDSA-N -1 1 311.426 0.724 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1(C(F)F)CC1 ZINC001605506699 1169941818 /nfs/dbraw/zinc/94/18/18/1169941818.db2.gz MENLWLCCBUFLFD-UHFFFAOYSA-N -1 1 310.264 0.803 20 0 DCADMM Cc1cc(-c2nn[nH]n2)cc(C)c1CN1CCO[C@H](C(=O)[O-])C1 ZINC001605523425 1169947276 /nfs/dbraw/zinc/94/72/76/1169947276.db2.gz OFVVIYHAGDUSCG-ZDUSSCGKSA-N -1 1 317.349 0.769 20 0 DCADMM CCOC(=O)C[C@@H](O)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001605532544 1169950666 /nfs/dbraw/zinc/95/06/66/1169950666.db2.gz IKCCUCNNQDWJNH-SECBINFHSA-N -1 1 321.289 0.514 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[S@](=O)C[C@H](C)C2)c1 ZINC001605564299 1169960937 /nfs/dbraw/zinc/96/09/37/1169960937.db2.gz RKWMPGSAFYUMRX-UZJPJQLHSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[S@](=O)C[C@H](C)C2)c1 ZINC001605564299 1169960951 /nfs/dbraw/zinc/96/09/51/1169960951.db2.gz RKWMPGSAFYUMRX-UZJPJQLHSA-N -1 1 306.395 0.775 20 0 DCADMM CCO[C@H]1C[C@](NC(=O)CCc2c[nH]nn2)(C(=O)[O-])C1(C)C ZINC001605603348 1169970023 /nfs/dbraw/zinc/97/00/23/1169970023.db2.gz BLKLTNQUISWMOQ-HZMBPMFUSA-N -1 1 310.354 0.512 20 0 DCADMM CCO[C@H]1C[C@](NC(=O)CCc2cnn[nH]2)(C(=O)[O-])C1(C)C ZINC001605603348 1169970030 /nfs/dbraw/zinc/97/00/30/1169970030.db2.gz BLKLTNQUISWMOQ-HZMBPMFUSA-N -1 1 310.354 0.512 20 0 DCADMM CCOc1cc(C(=O)NC[C@H]2CCN2C)ccc1OCC(=O)[O-] ZINC001605658843 1169982657 /nfs/dbraw/zinc/98/26/57/1169982657.db2.gz GBZJLKKSBWQBIS-GFCCVEGCSA-N -1 1 322.361 0.983 20 0 DCADMM Cc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(N(C)C)nn1 ZINC001605717810 1169990607 /nfs/dbraw/zinc/99/06/07/1169990607.db2.gz RQJIVIAPMSNGPA-UHFFFAOYSA-N -1 1 314.309 0.876 20 0 DCADMM Cc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(N(C)C)nn1 ZINC001605717810 1169990614 /nfs/dbraw/zinc/99/06/14/1169990614.db2.gz RQJIVIAPMSNGPA-UHFFFAOYSA-N -1 1 314.309 0.876 20 0 DCADMM Cc1cc(NCC[C@]2(O)CCCOC2)nc(-c2nnn[n-]2)c1 ZINC001605729187 1169993513 /nfs/dbraw/zinc/99/35/13/1169993513.db2.gz FITJPRSUAXCKLL-CQSZACIVSA-N -1 1 304.354 0.914 20 0 DCADMM Cc1cc(NCC[C@]2(O)CCCOC2)nc(-c2nn[n-]n2)c1 ZINC001605729187 1169993517 /nfs/dbraw/zinc/99/35/17/1169993517.db2.gz FITJPRSUAXCKLL-CQSZACIVSA-N -1 1 304.354 0.914 20 0 DCADMM CCc1nc([C@@H](C)NS(=O)(=O)CCCCCC(=O)[O-])n[nH]1 ZINC001605846171 1170011434 /nfs/dbraw/zinc/01/14/34/1170011434.db2.gz YLMSTMMANSFCOZ-SECBINFHSA-N -1 1 318.399 0.993 20 0 DCADMM Cc1ccc(N2CCN(c3nccnn3)CC2)c(-c2nnn[n-]2)n1 ZINC001605867638 1170016560 /nfs/dbraw/zinc/01/65/60/1170016560.db2.gz UUISUYPZNCCTBA-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1ccc(N2CCN(c3nccnn3)CC2)c(-c2nn[n-]n2)n1 ZINC001605867638 1170016565 /nfs/dbraw/zinc/01/65/65/1170016565.db2.gz UUISUYPZNCCTBA-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1ccc(N[C@@H](CO)[C@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001605871731 1170018098 /nfs/dbraw/zinc/01/80/98/1170018098.db2.gz JVKVFSRRVPFRLK-QWRGUYRKSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1ccc(N[C@@H](CO)[C@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001605871731 1170018104 /nfs/dbraw/zinc/01/81/04/1170018104.db2.gz JVKVFSRRVPFRLK-QWRGUYRKSA-N -1 1 304.354 0.770 20 0 DCADMM CCn1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001605928013 1170028507 /nfs/dbraw/zinc/02/85/07/1170028507.db2.gz SWXUIHDIJSQQIN-ZDEQEGDKSA-N -1 1 306.366 0.361 20 0 DCADMM Cc1ccccc1Cc1noc(Cn2cc(-c3nn[n-]n3)nn2)n1 ZINC001605942065 1170030801 /nfs/dbraw/zinc/03/08/01/1170030801.db2.gz LGZSXJQMEXNUIJ-UHFFFAOYSA-N -1 1 323.320 0.789 20 0 DCADMM Cc1ccncc1N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001605962823 1170038307 /nfs/dbraw/zinc/03/83/07/1170038307.db2.gz MKNKSPCTFWXXCH-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1ccncc1N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001605962823 1170038316 /nfs/dbraw/zinc/03/83/16/1170038316.db2.gz MKNKSPCTFWXXCH-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM C[NH+](C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606018979 1170051355 /nfs/dbraw/zinc/05/13/55/1170051355.db2.gz JJGYGOGVCRLOJB-WCBMZHEXSA-N -1 1 317.367 0.524 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](C(C)(C)O)C2)n1 ZINC001606021552 1170053149 /nfs/dbraw/zinc/05/31/49/1170053149.db2.gz XEPLQXTVUJLNSJ-JTQLQIEISA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](C(C)(C)O)C2)n1 ZINC001606021552 1170053156 /nfs/dbraw/zinc/05/31/56/1170053156.db2.gz XEPLQXTVUJLNSJ-JTQLQIEISA-N -1 1 303.370 0.952 20 0 DCADMM CN(C)Cc1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cn1 ZINC001606033510 1170060159 /nfs/dbraw/zinc/06/01/59/1170060159.db2.gz GXVFVNWYZXVOGR-LBPRGKRZSA-N -1 1 323.349 0.089 20 0 DCADMM C[NH+](C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606046000 1170064131 /nfs/dbraw/zinc/06/41/31/1170064131.db2.gz ZWORDQWXSCWYNP-VXNVDRBHSA-N -1 1 303.340 0.134 20 0 DCADMM Cc1nc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)oc1C ZINC001606042786 1170064597 /nfs/dbraw/zinc/06/45/97/1170064597.db2.gz BVBNOPNYBGWJFY-UHFFFAOYSA-N -1 1 317.309 0.627 20 0 DCADMM Cc1nc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)oc1C ZINC001606042786 1170064603 /nfs/dbraw/zinc/06/46/03/1170064603.db2.gz BVBNOPNYBGWJFY-UHFFFAOYSA-N -1 1 317.309 0.627 20 0 DCADMM Cc1nc(N[C@H](c2nncn2C)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001606065720 1170066770 /nfs/dbraw/zinc/06/67/70/1170066770.db2.gz ZZXCYYFXFYNERD-NSHDSACASA-N -1 1 314.357 0.903 20 0 DCADMM Cc1nc(N[C@H](c2nncn2C)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001606065720 1170066777 /nfs/dbraw/zinc/06/67/77/1170066777.db2.gz ZZXCYYFXFYNERD-NSHDSACASA-N -1 1 314.357 0.903 20 0 DCADMM Cc1nccnc1N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001606098612 1170076345 /nfs/dbraw/zinc/07/63/45/1170076345.db2.gz GULHVSZIOUUQJI-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nccnc1N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001606098612 1170076351 /nfs/dbraw/zinc/07/63/51/1170076351.db2.gz GULHVSZIOUUQJI-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nnc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)s1 ZINC001606120283 1170083481 /nfs/dbraw/zinc/08/34/81/1170083481.db2.gz KSQULDVKGUAYHN-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1nnc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)s1 ZINC001606120283 1170083484 /nfs/dbraw/zinc/08/34/84/1170083484.db2.gz KSQULDVKGUAYHN-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1nnc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1C1CC1 ZINC001606123543 1170085184 /nfs/dbraw/zinc/08/51/84/1170085184.db2.gz QQHRWAQFSPUWIC-UHFFFAOYSA-N -1 1 311.309 0.749 20 0 DCADMM Cc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1C1CC1 ZINC001606123543 1170085185 /nfs/dbraw/zinc/08/51/85/1170085185.db2.gz QQHRWAQFSPUWIC-UHFFFAOYSA-N -1 1 311.309 0.749 20 0 DCADMM CN(CCN1CCCC1)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606127251 1170086816 /nfs/dbraw/zinc/08/68/16/1170086816.db2.gz NRRJEDLFRIKAJK-QWHCGFSZSA-N -1 1 318.439 0.987 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@](O)(C2CC2)C1 ZINC001606165477 1170098187 /nfs/dbraw/zinc/09/81/87/1170098187.db2.gz HHWNPSFGDBWYKQ-CQSZACIVSA-N -1 1 303.322 0.755 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@](O)(C2CC2)C1 ZINC001606165477 1170098195 /nfs/dbraw/zinc/09/81/95/1170098195.db2.gz HHWNPSFGDBWYKQ-CQSZACIVSA-N -1 1 303.322 0.755 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC([C@@H]2CCOC2)C1 ZINC001606166823 1170100460 /nfs/dbraw/zinc/10/04/60/1170100460.db2.gz VXRRQBZLROGKAA-SECBINFHSA-N -1 1 303.322 0.877 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC([C@@H]2CCOC2)C1 ZINC001606166823 1170100461 /nfs/dbraw/zinc/10/04/61/1170100461.db2.gz VXRRQBZLROGKAA-SECBINFHSA-N -1 1 303.322 0.877 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1C(=O)OCC1(C)C ZINC001606167545 1170101233 /nfs/dbraw/zinc/10/12/33/1170101233.db2.gz PINJKFWZGVVDCG-VIFPVBQESA-N -1 1 305.294 0.450 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1C(=O)OCC1(C)C ZINC001606167545 1170101237 /nfs/dbraw/zinc/10/12/37/1170101237.db2.gz PINJKFWZGVVDCG-VIFPVBQESA-N -1 1 305.294 0.450 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC001606167815 1170101426 /nfs/dbraw/zinc/10/14/26/1170101426.db2.gz XUVZCKMSHSRAOI-SECBINFHSA-N -1 1 318.337 0.507 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC001606167815 1170101441 /nfs/dbraw/zinc/10/14/41/1170101441.db2.gz XUVZCKMSHSRAOI-SECBINFHSA-N -1 1 318.337 0.507 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@]23CCOC3)c1-c1nnn[n-]1 ZINC001606178231 1170103993 /nfs/dbraw/zinc/10/39/93/1170103993.db2.gz CNWMXBPPAYXVGR-ZDUSSCGKSA-N -1 1 304.310 0.097 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@]23CCOC3)c1-c1nn[n-]n1 ZINC001606178231 1170103999 /nfs/dbraw/zinc/10/39/99/1170103999.db2.gz CNWMXBPPAYXVGR-ZDUSSCGKSA-N -1 1 304.310 0.097 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H]2[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC001606180229 1170104093 /nfs/dbraw/zinc/10/40/93/1170104093.db2.gz LGUZPOQAUHPAID-FXPVBKGRSA-N -1 1 318.337 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H]2[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC001606180229 1170104094 /nfs/dbraw/zinc/10/40/94/1170104094.db2.gz LGUZPOQAUHPAID-FXPVBKGRSA-N -1 1 318.337 0.389 20 0 DCADMM Cc1onc(CC(=O)N2CCCCC[C@@H]2CO)c1-c1nnn[n-]1 ZINC001606179980 1170104171 /nfs/dbraw/zinc/10/41/71/1170104171.db2.gz SGGUDTUYJNFBAH-SNVBAGLBSA-N -1 1 320.353 0.469 20 0 DCADMM Cc1onc(CC(=O)N2CCCCC[C@@H]2CO)c1-c1nn[n-]n1 ZINC001606179980 1170104172 /nfs/dbraw/zinc/10/41/72/1170104172.db2.gz SGGUDTUYJNFBAH-SNVBAGLBSA-N -1 1 320.353 0.469 20 0 DCADMM CN1C(=O)NC2(CCN(Cc3cc(C(=O)[O-])co3)CC2)C1=O ZINC001606195008 1170108656 /nfs/dbraw/zinc/10/86/56/1170108656.db2.gz ZQLHAUAADOTCGS-UHFFFAOYSA-N -1 1 307.306 0.494 20 0 DCADMM CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001606206665 1170112658 /nfs/dbraw/zinc/11/26/58/1170112658.db2.gz YCCWMVLLAUSIDK-XHDPSFHLSA-N -1 1 310.325 0.595 20 0 DCADMM C[N@H+]1C[C@H](OC(=O)c2ccn(C3CCOCC3)n2)C[C@@H]1C(=O)[O-] ZINC001606210736 1170115852 /nfs/dbraw/zinc/11/58/52/1170115852.db2.gz ZJZOSVDJULOPAI-DGCLKSJQSA-N -1 1 323.349 0.549 20 0 DCADMM CN([C@@H]1CCCN(C)C1)S(=O)(=O)CCCCCC(=O)[O-] ZINC001606221463 1170119788 /nfs/dbraw/zinc/11/97/88/1170119788.db2.gz LMHRBPCSRHDWMB-GFCCVEGCSA-N -1 1 306.428 0.987 20 0 DCADMM CN1CCN(C2CN(C(=O)c3ccsc3CC(=O)[O-])C2)CC1 ZINC001606238805 1170131644 /nfs/dbraw/zinc/13/16/44/1170131644.db2.gz ALHMZOIRCKNVAH-UHFFFAOYSA-N -1 1 323.418 0.447 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)C[C@@H]2CC=CCC2)CC1 ZINC001606240917 1170132324 /nfs/dbraw/zinc/13/23/24/1170132324.db2.gz IMSFPTDYDOIWBQ-OAHLLOKOSA-N -1 1 323.437 0.893 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)[C@H]2CCC2(C)C)CC1 ZINC001606240995 1170132553 /nfs/dbraw/zinc/13/25/53/1170132553.db2.gz IUPZIYAUKAWCGW-CYBMUJFWSA-N -1 1 311.426 0.583 20 0 DCADMM Cn1ccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)nc1=O ZINC001606254097 1170137439 /nfs/dbraw/zinc/13/74/39/1170137439.db2.gz XUYBDGSMQHUEJK-UHFFFAOYSA-N -1 1 315.268 0.186 20 0 DCADMM Cn1ccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)nc1=O ZINC001606254097 1170137440 /nfs/dbraw/zinc/13/74/40/1170137440.db2.gz XUYBDGSMQHUEJK-UHFFFAOYSA-N -1 1 315.268 0.186 20 0 DCADMM CN1CC[C@@H]2CN(S(=O)(=O)C3CCC(C(=O)[O-])CC3)C[C@@H]21 ZINC001606251502 1170137626 /nfs/dbraw/zinc/13/76/26/1170137626.db2.gz YVRMXRKIUNFZKM-KPFVRQRISA-N -1 1 316.423 0.596 20 0 DCADMM Cn1ncc2c1ncnc2NCc1ccnc(-c2nn[n-]n2)c1 ZINC001606277419 1170145468 /nfs/dbraw/zinc/14/54/68/1170145468.db2.gz URMGQTPICYQNQY-UHFFFAOYSA-N -1 1 308.309 0.551 20 0 DCADMM COC(=O)C1CCC(NC(=O)[C@@H]2CCCN2C)(C(=O)[O-])CC1 ZINC001606396628 1170183739 /nfs/dbraw/zinc/18/37/39/1170183739.db2.gz JOPWBLZEPCSQRK-VTWZXRTESA-N -1 1 312.366 0.383 20 0 DCADMM NC(=O)N1CC[C@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001606418264 1170192989 /nfs/dbraw/zinc/19/29/89/1170192989.db2.gz 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O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCC[C@@H]1CO ZINC001607005830 1170353112 /nfs/dbraw/zinc/35/31/12/1170353112.db2.gz DIPFNPHWPNJEEA-MRVPVSSYSA-N -1 1 309.276 0.742 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC(CCO)CC1 ZINC001607025965 1170358708 /nfs/dbraw/zinc/35/87/08/1170358708.db2.gz RDQWMGLVBWBFNE-UHFFFAOYSA-N -1 1 302.338 0.496 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC(CCO)CC1 ZINC001607025965 1170358714 /nfs/dbraw/zinc/35/87/14/1170358714.db2.gz RDQWMGLVBWBFNE-UHFFFAOYSA-N -1 1 302.338 0.496 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@](O)(C2CC2)C1 ZINC001607022388 1170358775 /nfs/dbraw/zinc/35/87/75/1170358775.db2.gz PAJBPLXDXVTEHW-OAHLLOKOSA-N -1 1 317.324 0.993 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@](O)(C2CC2)C1 ZINC001607022388 1170358778 /nfs/dbraw/zinc/35/87/78/1170358778.db2.gz PAJBPLXDXVTEHW-OAHLLOKOSA-N -1 1 317.324 0.993 20 0 DCADMM O=C(c1cnsn1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001607030566 1170359951 /nfs/dbraw/zinc/35/99/51/1170359951.db2.gz 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ZINC001357837708 957388652 /nfs/dbraw/zinc/38/86/52/957388652.db2.gz SRVKOJZGXJMVEC-HNNXBMFYSA-N -1 1 308.334 0.429 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)Cc1ncc[nH]1 ZINC001416204556 957638127 /nfs/dbraw/zinc/63/81/27/957638127.db2.gz CPFGWBGTVLAOAX-SNVBAGLBSA-N -1 1 317.349 0.378 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001367394693 957764229 /nfs/dbraw/zinc/76/42/29/957764229.db2.gz WOXJKLMJBUGOTQ-SECBINFHSA-N -1 1 318.381 0.577 20 0 DCADMM CC(C)C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccnn1C ZINC001367417624 957791296 /nfs/dbraw/zinc/79/12/96/957791296.db2.gz KFVOICYSZDVGDK-SNVBAGLBSA-N -1 1 321.385 0.178 20 0 DCADMM CC(C)[C@@H](CNC(=O)Cc1ccoc1)NCc1n[nH]c(=O)[n-]1 ZINC001367465528 957847924 /nfs/dbraw/zinc/84/79/24/957847924.db2.gz PYZPNIDUVYMUKZ-LLVKDONJSA-N -1 1 307.354 0.576 20 0 DCADMM CN(C(=O)COc1cccc(NC(=O)C2CC2)c1)c1nn[n-]n1 ZINC001361435750 957964938 /nfs/dbraw/zinc/96/49/38/957964938.db2.gz MRSMUEPWTPSZLF-UHFFFAOYSA-N -1 1 316.321 0.590 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)N2Cc3cncnc3C2)c1 ZINC001463779992 1013164206 /nfs/dbraw/zinc/16/42/06/1013164206.db2.gz DEOBKFSFKYSSQS-UHFFFAOYSA-N -1 1 307.331 0.895 20 0 DCADMM C[C@@H](O)CN1CCN(C(=O)C(=O)c2ccc([O-])cc2)[C@@H](C)C1 ZINC001296814432 958053180 /nfs/dbraw/zinc/05/31/80/958053180.db2.gz OHRRNIJEGKKFSY-NWDGAFQWSA-N -1 1 306.362 0.488 20 0 DCADMM Cc1cc(NC(=O)CN[C@H](Cc2ccccc2)C(=O)[O-])n(C)n1 ZINC001594316874 958073759 /nfs/dbraw/zinc/07/37/59/958073759.db2.gz UGAMNIKKNBZWLD-CYBMUJFWSA-N -1 1 316.361 0.953 20 0 DCADMM CC(=O)N[C@H](CC(=O)N(C)c1nn[nH]n1)c1ccc(F)cc1F ZINC001361565832 958091331 /nfs/dbraw/zinc/09/13/31/958091331.db2.gz RFAHCHKTLFAERP-LLVKDONJSA-N -1 1 324.291 0.708 20 0 DCADMM CC(=O)N[C@H](CC(=O)N(C)c1nn[n-]n1)c1ccc(F)cc1F ZINC001361565832 958091338 /nfs/dbraw/zinc/09/13/38/958091338.db2.gz RFAHCHKTLFAERP-LLVKDONJSA-N -1 1 324.291 0.708 20 0 DCADMM CCCc1cc(=O)n2[n-]c(NC(=O)C3(F)CCOCC3)nc2n1 ZINC001361588847 958111423 /nfs/dbraw/zinc/11/14/23/958111423.db2.gz WPZKZCRNTQEIGT-UHFFFAOYSA-N -1 1 323.328 0.827 20 0 DCADMM CCCc1cc(=O)n2[nH]c([N-]C(=O)C3(F)CCOCC3)nc2n1 ZINC001361588847 958111430 /nfs/dbraw/zinc/11/14/30/958111430.db2.gz WPZKZCRNTQEIGT-UHFFFAOYSA-N -1 1 323.328 0.827 20 0 DCADMM COc1ccc(NC(=O)c2n[nH]c(C)c2[O-])cc1OCC(N)=O ZINC001361651149 958178005 /nfs/dbraw/zinc/17/80/05/958178005.db2.gz HFAKBZZIPGBFKJ-UHFFFAOYSA-N -1 1 320.305 0.549 20 0 DCADMM C[C@@H](NC(=O)CCCc1nn[nH]n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603220087 972339602 /nfs/dbraw/zinc/33/96/02/972339602.db2.gz BALWTWTXDJHVDE-KXUCPTDWSA-N -1 1 309.370 0.774 20 0 DCADMM NC(=O)NCc1ccc(NC(=O)CCCc2nn[n-]n2)cc1 ZINC001361852260 958408837 /nfs/dbraw/zinc/40/88/37/958408837.db2.gz NMTQNYUHSCUMNO-UHFFFAOYSA-N -1 1 303.326 0.329 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCCN(C(C)=O)CC1 ZINC001361876067 958435261 /nfs/dbraw/zinc/43/52/61/958435261.db2.gz CQSMATHJAZGORF-UHFFFAOYSA-N -1 1 324.406 0.907 20 0 DCADMM CSc1ncc(C(=O)N[C@H](C(N)=O)c2ccccc2)c(=O)[n-]1 ZINC001361890600 958454827 /nfs/dbraw/zinc/45/48/27/958454827.db2.gz PHGDNTLUXFOXRY-JTQLQIEISA-N -1 1 318.358 0.861 20 0 DCADMM O=C(NCc1nn[n-]n1)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC001361915546 958480974 /nfs/dbraw/zinc/48/09/74/958480974.db2.gz QJYVAVFNDCDKAN-UHFFFAOYSA-N -1 1 321.362 0.456 20 0 DCADMM COCCCC(=O)NC/C=C/CNC(=O)c1ncccc1[O-] ZINC001298280129 958507656 /nfs/dbraw/zinc/50/76/56/958507656.db2.gz VLHGMPALALNVJF-NSCUHMNNSA-N -1 1 307.350 0.616 20 0 DCADMM CCOC(=O)c1ccc(CNC(=O)CCc2nn[n-]n2)cc1 ZINC001361963106 958548400 /nfs/dbraw/zinc/54/84/00/958548400.db2.gz BVPYXLYAHGWDSZ-UHFFFAOYSA-N -1 1 303.322 0.625 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCC(=O)Nc1ccc(Cl)cc1 ZINC001361969679 958553969 /nfs/dbraw/zinc/55/39/69/958553969.db2.gz XJQLLGJGTQCSER-UHFFFAOYSA-N -1 1 322.756 0.931 20 0 DCADMM O=C(CCc1nn[n-]n1)Nc1cc2c(cc1F)CCC(=O)N2 ZINC001362035924 958637064 /nfs/dbraw/zinc/63/70/64/958637064.db2.gz SSUCEUHPUVRGFX-UHFFFAOYSA-N -1 1 304.285 0.795 20 0 DCADMM COc1cc(Br)cc(C(=O)NCc2nn[n-]n2)c1 ZINC001362041804 958643047 /nfs/dbraw/zinc/64/30/47/958643047.db2.gz PDJBMIDKWIHYHL-UHFFFAOYSA-N -1 1 312.127 0.901 20 0 DCADMM C[S@](=O)c1ccc(CNC(=O)CCCc2nn[n-]n2)cc1 ZINC001362069839 958688302 /nfs/dbraw/zinc/68/83/02/958688302.db2.gz UBIDSOIVABMVIO-NRFANRHFSA-N -1 1 307.379 0.576 20 0 DCADMM C[C@H](OCc1ccncc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001362086154 958712913 /nfs/dbraw/zinc/71/29/13/958712913.db2.gz BSHPISKWPQNIKW-CMPLNLGQSA-N -1 1 318.337 0.100 20 0 DCADMM Cc1nc(C(C)C)ncc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001362087029 958713151 /nfs/dbraw/zinc/71/31/51/958713151.db2.gz DPSNIQWMCFWREI-NSHDSACASA-N -1 1 317.353 0.635 20 0 DCADMM CCc1nc(C)ncc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001362093671 958727980 /nfs/dbraw/zinc/72/79/80/958727980.db2.gz ZHMRBBBCXWFERB-NSHDSACASA-N -1 1 303.326 0.074 20 0 DCADMM CNC(=O)COc1ccc(NC(=O)c2n[nH]c(C)c2[O-])cc1 ZINC001362102482 958739672 /nfs/dbraw/zinc/73/96/72/958739672.db2.gz ZQFWSQSFKWNKSC-UHFFFAOYSA-N -1 1 304.306 0.801 20 0 DCADMM CSc1ncc(C(=O)N[C@@H]2CCc3nc(C)nn3C2)c(=O)[n-]1 ZINC001362117712 958763940 /nfs/dbraw/zinc/76/39/40/958763940.db2.gz ZMEQQJHIEPNNOX-MRVPVSSYSA-N -1 1 320.378 0.549 20 0 DCADMM O=C(N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1CCCOCC1 ZINC001367883090 958768810 /nfs/dbraw/zinc/76/88/10/958768810.db2.gz DAKWRPDHBXUSGL-VXGBXAGGSA-N -1 1 323.397 0.311 20 0 DCADMM Cc1cc(C)n(CCCC(=O)N2CCO[C@H](c3nn[n-]n3)C2)n1 ZINC001362120945 958771354 /nfs/dbraw/zinc/77/13/54/958771354.db2.gz BBIXUJFRTOJXJG-LBPRGKRZSA-N -1 1 319.369 0.393 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001362210996 958934438 /nfs/dbraw/zinc/93/44/38/958934438.db2.gz VQPSRFJRMUMUFO-DTWKUNHWSA-N -1 1 309.322 0.395 20 0 DCADMM COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)CCCc1nn[n-]n1 ZINC001362228598 958964021 /nfs/dbraw/zinc/96/40/21/958964021.db2.gz OXKWMUQGJVKUAJ-HZMBPMFUSA-N -1 1 309.370 0.761 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]2CNC(=O)C(C)(C)C2CCC2)nc1=O ZINC001367962676 958964488 /nfs/dbraw/zinc/96/44/88/958964488.db2.gz IRRQXHFTERCBRP-GFCCVEGCSA-N -1 1 321.425 0.625 20 0 DCADMM O=C(Cc1ccc(O)c(Cl)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001362245692 958993355 /nfs/dbraw/zinc/99/33/55/958993355.db2.gz MCLAYKIWFGWMDP-NSHDSACASA-N -1 1 323.740 0.701 20 0 DCADMM CCCC(O)(CCC)CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001362249647 959000541 /nfs/dbraw/zinc/00/05/41/959000541.db2.gz XFDLHKAUXQTNIR-LLVKDONJSA-N -1 1 311.386 0.821 20 0 DCADMM O=C(CCn1cccc1)NCCCNC(=O)c1ncccc1[O-] ZINC001491678029 959122797 /nfs/dbraw/zinc/12/27/97/959122797.db2.gz ADGWQZDQPBVMCR-UHFFFAOYSA-N -1 1 316.361 0.915 20 0 DCADMM O=C(CCc1cn[nH]c1)NCCCNC(=O)c1ncccc1[O-] ZINC001491679535 959124621 /nfs/dbraw/zinc/12/46/21/959124621.db2.gz WSIVWMYYLRPOIF-UHFFFAOYSA-N -1 1 317.349 0.379 20 0 DCADMM C[C@H](CN(C)C(=O)C1CCN(CC(F)F)CC1)c1nn[n-]n1 ZINC001362322290 959141351 /nfs/dbraw/zinc/14/13/51/959141351.db2.gz FMKCLYCPLIYFNB-SECBINFHSA-N -1 1 316.356 0.739 20 0 DCADMM CCOC(=O)[C@H](NC(=O)CCc1nn[n-]n1)c1ccccc1 ZINC001362334496 959163601 /nfs/dbraw/zinc/16/36/01/959163601.db2.gz HFSDJQVYLCBFHP-CYBMUJFWSA-N -1 1 303.322 0.553 20 0 DCADMM Cc1cccc(F)c1C(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001376934910 959168957 /nfs/dbraw/zinc/16/89/57/959168957.db2.gz SCYVXQPWOHUCKF-VIFPVBQESA-N -1 1 307.329 0.866 20 0 DCADMM Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nnn[n-]2)c1 ZINC001362341896 959178345 /nfs/dbraw/zinc/17/83/45/959178345.db2.gz WJYQTZNRWJSGPB-LLVKDONJSA-N -1 1 300.322 0.751 20 0 DCADMM Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nn[n-]n2)c1 ZINC001362341896 959178353 /nfs/dbraw/zinc/17/83/53/959178353.db2.gz WJYQTZNRWJSGPB-LLVKDONJSA-N -1 1 300.322 0.751 20 0 DCADMM O=C(CCCc1nn[n-]n1)Nc1cc(C2CCOCC2)[nH]n1 ZINC001362346560 959185401 /nfs/dbraw/zinc/18/54/01/959185401.db2.gz BMZUDEPEKJECQE-UHFFFAOYSA-N -1 1 305.342 0.778 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](CO)c1cccc(F)c1 ZINC001362364711 959218867 /nfs/dbraw/zinc/21/88/67/959218867.db2.gz DSEUFCXBRURIRE-VIFPVBQESA-N -1 1 323.280 0.499 20 0 DCADMM CC(=O)c1cncc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC001362366825 959226199 /nfs/dbraw/zinc/22/61/99/959226199.db2.gz MESPQNZDXHVUGM-NSHDSACASA-N -1 1 318.362 0.728 20 0 DCADMM NC(=O)C[C@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001362398326 959277739 /nfs/dbraw/zinc/27/77/39/959277739.db2.gz SVLCPVOPJUSDEX-SECBINFHSA-N -1 1 304.350 0.787 20 0 DCADMM O=C(c1ccc(F)c(O)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001362413356 959306824 /nfs/dbraw/zinc/30/68/24/959306824.db2.gz YRJUCFZKDYDXJM-SECBINFHSA-N -1 1 309.326 0.975 20 0 DCADMM CCC(CC)(NC(=O)c1ccc(C(=O)OC)cn1)c1nn[n-]n1 ZINC001362427552 959335132 /nfs/dbraw/zinc/33/51/32/959335132.db2.gz RZDVWOOIVPVERT-UHFFFAOYSA-N -1 1 318.337 0.827 20 0 DCADMM CCO[C@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)C1CCCC1 ZINC001362435339 959352081 /nfs/dbraw/zinc/35/20/81/959352081.db2.gz JBRLQDZEFFYFSZ-LBPRGKRZSA-N -1 1 323.397 0.605 20 0 DCADMM CO[C@@H]1CCC[C@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)C1 ZINC001362439942 959358303 /nfs/dbraw/zinc/35/83/03/959358303.db2.gz 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959423464 /nfs/dbraw/zinc/42/34/64/959423464.db2.gz JVOVAMAHBVGODG-LLVKDONJSA-N -1 1 321.381 0.537 20 0 DCADMM CCC(CC)(NC(=O)[C@@H]1CCCCS1(=O)=O)c1nn[n-]n1 ZINC001362493128 959463515 /nfs/dbraw/zinc/46/35/15/959463515.db2.gz BFSNMLCNHPPEKA-VIFPVBQESA-N -1 1 315.399 0.299 20 0 DCADMM CCC(CC)(NC(=O)Cc1nnc(C2CC2)[nH]1)c1nn[n-]n1 ZINC001362500374 959472455 /nfs/dbraw/zinc/47/24/55/959472455.db2.gz ZIKPAWIFSZWOOL-UHFFFAOYSA-N -1 1 304.358 0.569 20 0 DCADMM COC(=O)N1CCC([C@H](C)NC(=O)CCc2nn[n-]n2)CC1 ZINC001362510966 959498153 /nfs/dbraw/zinc/49/81/53/959498153.db2.gz MTQSSLDCGJUMQA-VIFPVBQESA-N -1 1 310.358 0.115 20 0 DCADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@H](CO)[C@H](O)C1 ZINC001362529946 959530601 /nfs/dbraw/zinc/53/06/01/959530601.db2.gz APYWCBISVRTOLK-QMTHXVAHSA-N -1 1 303.314 0.676 20 0 DCADMM NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001362548099 959574930 /nfs/dbraw/zinc/57/49/30/959574930.db2.gz DMWXUIAOMGWQOE-SECBINFHSA-N -1 1 316.354 0.672 20 0 DCADMM 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323.397 0.143 20 0 DCADMM C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CCCC1CC1 ZINC001375089299 966334110 /nfs/dbraw/zinc/33/41/10/966334110.db2.gz XJKSQNLHONYOBL-NSHDSACASA-N -1 1 309.414 0.625 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)Cc1cccc(F)c1 ZINC001381459676 966436605 /nfs/dbraw/zinc/43/66/05/966436605.db2.gz ZYNAAHGCYFQLQT-NXEZZACHSA-N -1 1 321.356 0.875 20 0 DCADMM Cc1cccc(C(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)n1 ZINC001381497827 966463745 /nfs/dbraw/zinc/46/37/45/966463745.db2.gz BXGHREXZRQQALC-LLVKDONJSA-N -1 1 318.381 0.062 20 0 DCADMM Cc1ccncc1C(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001381508272 966476040 /nfs/dbraw/zinc/47/60/40/966476040.db2.gz ODUVINFBKDRNPP-LLVKDONJSA-N -1 1 318.381 0.062 20 0 DCADMM Cc1ccncc1C(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001381508276 966477644 /nfs/dbraw/zinc/47/76/44/966477644.db2.gz ODUVINFBKDRNPP-NSHDSACASA-N -1 1 318.381 0.062 20 0 DCADMM CN(C[C@@H](O)CNC(=O)c1ncccc1[O-])C(=O)CC1CCC1 ZINC001370976328 966635332 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CO[C@@H]1CC[C@@H](C(=O)N(C)CCNC(=O)c2ncccc2[O-])C1 ZINC001448813093 1014051799 /nfs/dbraw/zinc/05/17/99/1014051799.db2.gz UPDIYUWDUUJHFX-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM O=C([O-])[C@@]1([NH2+]Cc2cc(=O)oc3cc([O-])ccc23)CCOC1 ZINC001605959663 972931008 /nfs/dbraw/zinc/93/10/08/972931008.db2.gz VUSYJQDQPCPECY-OAHLLOKOSA-N -1 1 305.286 0.832 20 0 DCADMM C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)n1cc(CNCC(=O)[O-])nn1 ZINC001603376442 972938785 /nfs/dbraw/zinc/93/87/85/972938785.db2.gz YRWZQODAABKTGZ-GRYCIOLGSA-N -1 1 323.397 0.518 20 0 DCADMM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)n1cc(CNCC(=O)[O-])nn1 ZINC001603376444 972939062 /nfs/dbraw/zinc/93/90/62/972939062.db2.gz YRWZQODAABKTGZ-TUAOUCFPSA-N -1 1 323.397 0.518 20 0 DCADMM O=C([O-])C1=NO[C@H](C(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001605967733 972958471 /nfs/dbraw/zinc/95/84/71/972958471.db2.gz MHHLGIGUXIQVER-ZDUSSCGKSA-N -1 1 309.366 0.693 20 0 DCADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCF ZINC001605970000 972974529 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CCC(CC)(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1nn[n-]n1 ZINC001449013024 1014132485 /nfs/dbraw/zinc/13/24/85/1014132485.db2.gz HOAHRACCGRUMEE-SECBINFHSA-N -1 1 310.402 0.882 20 0 DCADMM Cn1cccc1CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001605511643 973689934 /nfs/dbraw/zinc/68/99/34/973689934.db2.gz PWVLNWASEZCKHN-GFCCVEGCSA-N -1 1 305.378 0.923 20 0 DCADMM CCC(=O)N1CCC[C@H](C(=O)NC(CC)(CC)c2nn[n-]n2)C1 ZINC001449015918 1014135581 /nfs/dbraw/zinc/13/55/81/1014135581.db2.gz OEPIUAWLVLCNMN-NSHDSACASA-N -1 1 322.413 0.980 20 0 DCADMM O=C([O-])c1cc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)[nH]n1 ZINC001606464969 973922657 /nfs/dbraw/zinc/92/26/57/973922657.db2.gz KZPXIGQAJCFBKU-NSHDSACASA-N -1 1 322.365 0.435 20 0 DCADMM O=C([O-])c1cc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)ccc1O ZINC001606465640 973930521 /nfs/dbraw/zinc/93/05/21/973930521.db2.gz YSRRCOCASZJSQR-GFCCVEGCSA-N -1 1 305.334 0.419 20 0 DCADMM N[C@@H](CC(=O)[O-])c1noc(-c2ccnn2C2CCOCC2)n1 ZINC001605648796 974015528 /nfs/dbraw/zinc/01/55/28/974015528.db2.gz 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DCADMM C[C@H](C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1)C(=O)c1ccc([O-])cc1 ZINC001592610717 978564824 /nfs/dbraw/zinc/56/48/24/978564824.db2.gz KLXPGWCTADSTHR-QKCSRTOESA-N -1 1 307.346 0.978 20 0 DCADMM C[C@H](CN1CCOCC1)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001592624676 978600861 /nfs/dbraw/zinc/60/08/61/978600861.db2.gz RLDRJDQYTSWHGP-SNVBAGLBSA-N -1 1 307.350 0.874 20 0 DCADMM C[C@@H](CN1CCOCC1)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001592624674 978600905 /nfs/dbraw/zinc/60/09/05/978600905.db2.gz RLDRJDQYTSWHGP-JTQLQIEISA-N -1 1 307.350 0.874 20 0 DCADMM CCN(CCNC(=O)c1conc1C)C(=O)c1ncccc1[O-] ZINC001449495625 1014509118 /nfs/dbraw/zinc/50/91/18/1014509118.db2.gz GRSPUQCNDJGCAO-UHFFFAOYSA-N -1 1 318.333 0.976 20 0 DCADMM C[C@H](CS(=O)(=O)NC[C@H]1N(C)CCCC1(C)C)C(=O)[O-] ZINC001592810188 979493657 /nfs/dbraw/zinc/49/36/57/979493657.db2.gz XHFNCUIALAMAKK-GHMZBOCLSA-N -1 1 306.428 0.747 20 0 DCADMM O=C(CCc1nn[n-]n1)NCc1c(F)cccc1-n1cccn1 ZINC001449695089 1014638361 /nfs/dbraw/zinc/63/83/61/1014638361.db2.gz PBGBQBICKMPZHV-UHFFFAOYSA-N -1 1 315.312 0.774 20 0 DCADMM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CN(C)CCN1C ZINC001593004021 980220823 /nfs/dbraw/zinc/22/08/23/980220823.db2.gz XSEZBHXCGQRUED-DGAVXFQQSA-N -1 1 311.426 0.628 20 0 DCADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001550346953 1014674747 /nfs/dbraw/zinc/67/47/47/1014674747.db2.gz UMJOKSPIYXWXES-HMVGFALLSA-N -1 1 319.361 0.635 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)[O-])C(=O)[O-] ZINC001594889477 982281673 /nfs/dbraw/zinc/28/16/73/982281673.db2.gz DVUFZXVSYBEPEZ-CHIMOYNISA-N -1 1 300.355 0.541 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@]1(C)C(=O)[O-])C(=O)[O-] ZINC001594889477 982281686 /nfs/dbraw/zinc/28/16/86/982281686.db2.gz DVUFZXVSYBEPEZ-CHIMOYNISA-N -1 1 300.355 0.541 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H](C(C)(C)O)C1)C(=O)[O-] ZINC001594889898 982282861 /nfs/dbraw/zinc/28/28/61/982282861.db2.gz FYYJVKNTFGJYEX-DMDPSCGWSA-N -1 1 300.399 0.695 20 0 DCADMM CCCCOCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001524138989 1014867624 /nfs/dbraw/zinc/86/76/24/1014867624.db2.gz RIRDXYLYKJQYMA-GFCCVEGCSA-N -1 1 321.377 0.935 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)c1cnncc1[O-] ZINC001550832735 1014879650 /nfs/dbraw/zinc/87/96/50/1014879650.db2.gz LNQJLQFFSWORCN-LLVKDONJSA-N -1 1 300.318 0.688 20 0 DCADMM CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)Cc1ccn[nH]1 ZINC001595880097 982885433 /nfs/dbraw/zinc/88/54/33/982885433.db2.gz SAHNJJNJDWIKOI-NWDGAFQWSA-N -1 1 322.365 0.028 20 0 DCADMM Cc1cnc(C(=O)N2C[C@H](CO)[C@H](c3cnn(C)c3)C2)c([O-])c1 ZINC001551143145 1014979254 /nfs/dbraw/zinc/97/92/54/1014979254.db2.gz QKVUCKRGGIUONW-OLZOCXBDSA-N -1 1 316.361 0.677 20 0 DCADMM CCN1CCCC[C@@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001596425716 984076412 /nfs/dbraw/zinc/07/64/12/984076412.db2.gz XBIHYVIMVZACLT-SECBINFHSA-N -1 1 316.383 0.261 20 0 DCADMM CCOC(=O)[C@@H](CC)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001596526434 984333289 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JLNKKLVAXZPLHU-SCZZXKLOSA-N -1 1 320.357 0.273 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCCC[C@@H]2O)n1 ZINC000822614062 606161448 /nfs/dbraw/zinc/16/14/48/606161448.db2.gz JLNKKLVAXZPLHU-SCZZXKLOSA-N -1 1 320.357 0.273 20 0 DCADMM CCOCCCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821377382 606168387 /nfs/dbraw/zinc/16/83/87/606168387.db2.gz ANTOBGFAIKQUDR-UHFFFAOYSA-N -1 1 308.346 0.538 20 0 DCADMM CCOCCCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821377382 606168388 /nfs/dbraw/zinc/16/83/88/606168388.db2.gz ANTOBGFAIKQUDR-UHFFFAOYSA-N -1 1 308.346 0.538 20 0 DCADMM Cc1cnc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)s1 ZINC000822394501 606169923 /nfs/dbraw/zinc/16/99/23/606169923.db2.gz BKAQEEKHJDWPOX-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1cnc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)s1 ZINC000822394501 606169925 /nfs/dbraw/zinc/16/99/25/606169925.db2.gz BKAQEEKHJDWPOX-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1nc2n(n1)CCC[C@H]2NCc1ccc(-c2nnn[n-]2)o1 ZINC000822463043 606338008 /nfs/dbraw/zinc/33/80/08/606338008.db2.gz NORCQVHNTLDIOM-SNVBAGLBSA-N -1 1 300.326 0.984 20 0 DCADMM Cc1nc2n(n1)CCC[C@H]2NCc1ccc(-c2nn[n-]n2)o1 ZINC000822463043 606338011 /nfs/dbraw/zinc/33/80/11/606338011.db2.gz NORCQVHNTLDIOM-SNVBAGLBSA-N -1 1 300.326 0.984 20 0 DCADMM NC(=O)Cn1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000822873692 606459746 /nfs/dbraw/zinc/45/97/46/606459746.db2.gz GPFVERZADOVEMB-UHFFFAOYSA-N -1 1 319.716 0.341 20 0 DCADMM NC(=O)Cn1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000822873692 606459748 /nfs/dbraw/zinc/45/97/48/606459748.db2.gz GPFVERZADOVEMB-UHFFFAOYSA-N -1 1 319.716 0.341 20 0 DCADMM CNC(=O)C1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC000821631464 606544042 /nfs/dbraw/zinc/54/40/42/606544042.db2.gz JSWUQWXGDDSWKE-UHFFFAOYSA-N -1 1 320.378 0.717 20 0 DCADMM CNC(=O)C1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC000821631464 606544044 /nfs/dbraw/zinc/54/40/44/606544044.db2.gz JSWUQWXGDDSWKE-UHFFFAOYSA-N -1 1 320.378 0.717 20 0 DCADMM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000822859254 606569698 /nfs/dbraw/zinc/56/96/98/606569698.db2.gz GCBKDTHTHHTVES-SFYZADRCSA-N -1 1 320.378 0.702 20 0 DCADMM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000822859254 606569699 /nfs/dbraw/zinc/56/96/99/606569699.db2.gz GCBKDTHTHHTVES-SFYZADRCSA-N -1 1 320.378 0.702 20 0 DCADMM COCCOC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821692485 606573267 /nfs/dbraw/zinc/57/32/67/606573267.db2.gz YZKGWAQPYVWQJH-MRVPVSSYSA-N -1 1 311.367 0.710 20 0 DCADMM COCCOC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821692485 606573269 /nfs/dbraw/zinc/57/32/69/606573269.db2.gz YZKGWAQPYVWQJH-MRVPVSSYSA-N -1 1 311.367 0.710 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822859735 606583384 /nfs/dbraw/zinc/58/33/84/606583384.db2.gz ITTMYQQZNBZYRW-HTQZYQBOSA-N -1 1 320.378 0.702 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822859735 606583385 /nfs/dbraw/zinc/58/33/85/606583385.db2.gz ITTMYQQZNBZYRW-HTQZYQBOSA-N -1 1 320.378 0.702 20 0 DCADMM O=C(NC[C@@H](O)COCC1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823166978 606600962 /nfs/dbraw/zinc/60/09/62/606600962.db2.gz VPMMVRSHCCNIPQ-SECBINFHSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(NC[C@@H](O)COCC1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823166978 606600964 /nfs/dbraw/zinc/60/09/64/606600964.db2.gz VPMMVRSHCCNIPQ-SECBINFHSA-N -1 1 323.378 0.446 20 0 DCADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC000819883951 606648023 /nfs/dbraw/zinc/64/80/23/606648023.db2.gz PCKNEJITYQRURS-VIFPVBQESA-N -1 1 313.321 0.842 20 0 DCADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC000819883951 606648024 /nfs/dbraw/zinc/64/80/24/606648024.db2.gz PCKNEJITYQRURS-VIFPVBQESA-N -1 1 313.321 0.842 20 0 DCADMM COC(=O)[C@H]1C[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821653536 606648875 /nfs/dbraw/zinc/64/88/75/606648875.db2.gz DDCJRWDKPZIDNH-IUCAKERBSA-N -1 1 303.278 0.114 20 0 DCADMM COC(=O)[C@H]1C[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821653536 606648876 /nfs/dbraw/zinc/64/88/76/606648876.db2.gz DDCJRWDKPZIDNH-IUCAKERBSA-N -1 1 303.278 0.114 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCC(c2ccccc2)=N1 ZINC000823123211 606655214 /nfs/dbraw/zinc/65/52/14/606655214.db2.gz SBQZRBHBDZFXFA-UHFFFAOYSA-N -1 1 322.332 0.700 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCC(c2ccccc2)=N1 ZINC000823123211 606655215 /nfs/dbraw/zinc/65/52/15/606655215.db2.gz SBQZRBHBDZFXFA-UHFFFAOYSA-N -1 1 322.332 0.700 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@]2(C)CCCO2)n1 ZINC000822614759 606697338 /nfs/dbraw/zinc/69/73/38/606697338.db2.gz RHZJQCULKOGBDO-GFCCVEGCSA-N -1 1 306.330 0.291 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@]2(C)CCCO2)n1 ZINC000822614759 606697337 /nfs/dbraw/zinc/69/73/37/606697337.db2.gz RHZJQCULKOGBDO-GFCCVEGCSA-N -1 1 306.330 0.291 20 0 DCADMM C/C=C/C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820833014 606825628 /nfs/dbraw/zinc/82/56/28/606825628.db2.gz QBIFRSIJTPVMEK-HMDXOVGESA-N -1 1 314.353 0.270 20 0 DCADMM C/C=C/C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820833014 606825631 /nfs/dbraw/zinc/82/56/31/606825631.db2.gz QBIFRSIJTPVMEK-HMDXOVGESA-N -1 1 314.353 0.270 20 0 DCADMM COCCc1noc(CN(C)c2cccc(-c3nnn[n-]3)n2)n1 ZINC000821694541 606950766 /nfs/dbraw/zinc/95/07/66/606950766.db2.gz RJTZWTKWXYAKBH-UHFFFAOYSA-N -1 1 316.325 0.470 20 0 DCADMM COCCc1noc(CN(C)c2cccc(-c3nn[n-]n3)n2)n1 ZINC000821694541 606950768 /nfs/dbraw/zinc/95/07/68/606950768.db2.gz RJTZWTKWXYAKBH-UHFFFAOYSA-N -1 1 316.325 0.470 20 0 DCADMM C[C@@H]1OCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC000820818698 607005099 /nfs/dbraw/zinc/00/50/99/607005099.db2.gz APLGEDHTBQCNMG-IUCAKERBSA-N -1 1 324.366 0.060 20 0 DCADMM C[C@@H]1OCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC000820818698 607005100 /nfs/dbraw/zinc/00/51/00/607005100.db2.gz APLGEDHTBQCNMG-IUCAKERBSA-N -1 1 324.366 0.060 20 0 DCADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn(C)c1=O ZINC000822209349 607169009 /nfs/dbraw/zinc/16/90/09/607169009.db2.gz DWEJMTPZVBOHQD-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn(C)c1=O ZINC000822209349 607169010 /nfs/dbraw/zinc/16/90/10/607169010.db2.gz DWEJMTPZVBOHQD-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM CC[C@H]1CCCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820979322 607207333 /nfs/dbraw/zinc/20/73/33/607207333.db2.gz GWZIYDHWDBKPEA-VHSXEESVSA-N -1 1 304.358 0.543 20 0 DCADMM CCSCC[C@@H](C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821457373 607220850 /nfs/dbraw/zinc/22/08/50/607220850.db2.gz WADSFDZPOWNQSO-SECBINFHSA-N -1 1 324.414 0.448 20 0 DCADMM CCO[C@@H](CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)C ZINC000821351096 607221022 /nfs/dbraw/zinc/22/10/22/607221022.db2.gz KWXFCEDYWDGXST-JTQLQIEISA-N -1 1 322.373 0.026 20 0 DCADMM CCCC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCC1 ZINC000821042543 607222859 /nfs/dbraw/zinc/22/28/59/607222859.db2.gz DQIVVWKHYOGSKN-LLVKDONJSA-N -1 1 318.385 0.933 20 0 DCADMM CC(C)C[C@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820061508 607222980 /nfs/dbraw/zinc/22/29/80/607222980.db2.gz DRNISCHBTWQEKG-LLVKDONJSA-N -1 1 318.385 0.885 20 0 DCADMM Cc1nc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)s1 ZINC000826323657 607786941 /nfs/dbraw/zinc/78/69/41/607786941.db2.gz MFODJUGNCPHUNG-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)s1 ZINC000826323657 607786942 /nfs/dbraw/zinc/78/69/42/607786942.db2.gz MFODJUGNCPHUNG-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM CC1(C)C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000824790780 607824714 /nfs/dbraw/zinc/82/47/14/607824714.db2.gz QOJRGCKMJSBXRI-JTQLQIEISA-N -1 1 302.338 0.949 20 0 DCADMM CC1(C)C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000824790780 607824715 /nfs/dbraw/zinc/82/47/15/607824715.db2.gz QOJRGCKMJSBXRI-JTQLQIEISA-N -1 1 302.338 0.949 20 0 DCADMM COC1CCC(CC(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC000826146676 608011559 /nfs/dbraw/zinc/01/15/59/608011559.db2.gz ZOYWBCOCOYZMFP-UHFFFAOYSA-N -1 1 305.342 0.881 20 0 DCADMM CC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(F)F ZINC000825219656 608235057 /nfs/dbraw/zinc/23/50/57/608235057.db2.gz LFNMMQLVXSHQKB-VIFPVBQESA-N -1 1 324.339 0.822 20 0 DCADMM CC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(F)F ZINC000825219656 608235060 /nfs/dbraw/zinc/23/50/60/608235060.db2.gz LFNMMQLVXSHQKB-VIFPVBQESA-N -1 1 324.339 0.822 20 0 DCADMM CC[C@H]1CC[C@H](C)N1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825195849 608237332 /nfs/dbraw/zinc/23/73/32/608237332.db2.gz ZFBOTFSWGZVIEY-IUCAKERBSA-N -1 1 319.369 0.031 20 0 DCADMM FC(F)CN1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000826369784 608302550 /nfs/dbraw/zinc/30/25/50/608302550.db2.gz QELHEPFWSILSEX-UHFFFAOYSA-N -1 1 310.312 0.434 20 0 DCADMM FC(F)CN1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000826369784 608302552 /nfs/dbraw/zinc/30/25/52/608302552.db2.gz QELHEPFWSILSEX-UHFFFAOYSA-N -1 1 310.312 0.434 20 0 DCADMM Oc1cccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826511528 608393897 /nfs/dbraw/zinc/39/38/97/608393897.db2.gz UBXVWEJMTBWEPO-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Oc1cccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826511528 608393899 /nfs/dbraw/zinc/39/38/99/608393899.db2.gz UBXVWEJMTBWEPO-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM c1cnn(CC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826526021 608416211 /nfs/dbraw/zinc/41/62/11/608416211.db2.gz IHDVRHJJPOCKNW-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1cnn(CC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826526021 608416213 /nfs/dbraw/zinc/41/62/13/608416213.db2.gz IHDVRHJJPOCKNW-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)CC1(C)OCCO1 ZINC000824429444 608420639 /nfs/dbraw/zinc/42/06/39/608420639.db2.gz WYQDNWJHWREXSM-VIFPVBQESA-N -1 1 305.342 0.858 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)CC1(C)OCCO1 ZINC000824429444 608420640 /nfs/dbraw/zinc/42/06/40/608420640.db2.gz WYQDNWJHWREXSM-VIFPVBQESA-N -1 1 305.342 0.858 20 0 DCADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H](C(F)(F)F)O1 ZINC000824994552 608427053 /nfs/dbraw/zinc/42/70/53/608427053.db2.gz VISKFFHMYLYJMG-XPUUQOCRSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H](C(F)(F)F)O1 ZINC000824994552 608427056 /nfs/dbraw/zinc/42/70/56/608427056.db2.gz VISKFFHMYLYJMG-XPUUQOCRSA-N -1 1 315.259 0.813 20 0 DCADMM NC(=O)C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC000826390673 608437347 /nfs/dbraw/zinc/43/73/47/608437347.db2.gz IIXQOONWEVBWGO-NSHDSACASA-N -1 1 316.369 0.893 20 0 DCADMM NC(=O)C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC000826390673 608437349 /nfs/dbraw/zinc/43/73/49/608437349.db2.gz IIXQOONWEVBWGO-NSHDSACASA-N -1 1 316.369 0.893 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC000824894022 608451324 /nfs/dbraw/zinc/45/13/24/608451324.db2.gz WRAWUEATIYBSPT-DOFRTFSJSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC000824894022 608451325 /nfs/dbraw/zinc/45/13/25/608451325.db2.gz WRAWUEATIYBSPT-DOFRTFSJSA-N -1 1 302.338 0.948 20 0 DCADMM CO[C@H]1CCC[C@H]1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826145892 608494044 /nfs/dbraw/zinc/49/40/44/608494044.db2.gz NLDPUXCKUHFEEL-WPRPVWTQSA-N -1 1 320.357 0.537 20 0 DCADMM CO[C@H]1CCC[C@H]1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826145892 608494045 /nfs/dbraw/zinc/49/40/45/608494045.db2.gz NLDPUXCKUHFEEL-WPRPVWTQSA-N -1 1 320.357 0.537 20 0 DCADMM CO[C@H]1CCC[C@@H]1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826145890 608494057 /nfs/dbraw/zinc/49/40/57/608494057.db2.gz NLDPUXCKUHFEEL-SCZZXKLOSA-N -1 1 320.357 0.537 20 0 DCADMM CO[C@H]1CCC[C@@H]1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826145890 608494058 /nfs/dbraw/zinc/49/40/58/608494058.db2.gz NLDPUXCKUHFEEL-SCZZXKLOSA-N -1 1 320.357 0.537 20 0 DCADMM CN(CC(=O)NCc1ccco1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825892289 608502453 /nfs/dbraw/zinc/50/24/53/608502453.db2.gz JCZKMECWQHTJQF-UHFFFAOYSA-N -1 1 316.321 0.801 20 0 DCADMM CN(CC(=O)NCc1ccco1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825892289 608502454 /nfs/dbraw/zinc/50/24/54/608502454.db2.gz JCZKMECWQHTJQF-UHFFFAOYSA-N -1 1 316.321 0.801 20 0 DCADMM CCN(Cc1ccc(-c2nn[n-]n2)o1)[C@H](C)CS(C)(=O)=O ZINC000825428354 608702206 /nfs/dbraw/zinc/70/22/06/608702206.db2.gz KMCZCQJWJXZFFY-SECBINFHSA-N -1 1 313.383 0.715 20 0 DCADMM CCN(Cc1ccc(-c2nnn[n-]2)o1)[C@H](C)CS(C)(=O)=O ZINC000825428354 608702203 /nfs/dbraw/zinc/70/22/03/608702203.db2.gz KMCZCQJWJXZFFY-SECBINFHSA-N -1 1 313.383 0.715 20 0 DCADMM CCOC(=O)[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000825499267 608720226 /nfs/dbraw/zinc/72/02/26/608720226.db2.gz JHERTJSWPHCNND-LLVKDONJSA-N -1 1 307.310 0.224 20 0 DCADMM CCOC(=O)[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000825499267 608720228 /nfs/dbraw/zinc/72/02/28/608720228.db2.gz JHERTJSWPHCNND-LLVKDONJSA-N -1 1 307.310 0.224 20 0 DCADMM CCOC(=O)[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000825499268 608720425 /nfs/dbraw/zinc/72/04/25/608720425.db2.gz JHERTJSWPHCNND-NSHDSACASA-N -1 1 307.310 0.224 20 0 DCADMM CCOC(=O)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000825499268 608720426 /nfs/dbraw/zinc/72/04/26/608720426.db2.gz 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c1cc(N2CCC([C@@H]3CCOC3)CC2)nnc1-c1nnn[n-]1 ZINC000826516752 609591974 /nfs/dbraw/zinc/59/19/74/609591974.db2.gz ZQCDOSRIOMEBTK-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1cc(N2CCC([C@@H]3CCOC3)CC2)nnc1-c1nn[n-]n1 ZINC000826516752 609591977 /nfs/dbraw/zinc/59/19/77/609591977.db2.gz ZQCDOSRIOMEBTK-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM O=C(N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1)C1(CF)CC1 ZINC001025079954 659009461 /nfs/dbraw/zinc/00/94/61/659009461.db2.gz YXXXDCRGURZKSQ-JTQLQIEISA-N -1 1 311.361 0.731 20 0 DCADMM CCC(CC)C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000980723275 660992624 /nfs/dbraw/zinc/99/26/24/660992624.db2.gz DTUJHPJQGQCCPZ-UHFFFAOYSA-N -1 1 309.414 0.579 20 0 DCADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000936710296 661112005 /nfs/dbraw/zinc/11/20/05/661112005.db2.gz AJQOUTJINRGNFA-SNVBAGLBSA-N -1 1 315.333 0.497 20 0 DCADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000936710296 661112007 /nfs/dbraw/zinc/11/20/07/661112007.db2.gz 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657575478 /nfs/dbraw/zinc/57/54/78/657575478.db2.gz SSJNPYKEADUZBE-UHFFFAOYSA-N -1 1 319.346 0.235 20 0 DCADMM C[C@@H](NC(=O)[C@@H]1CC12CCC2)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000970509345 657585818 /nfs/dbraw/zinc/58/58/18/657585818.db2.gz QYVPVJORQZYPDM-PWSUYJOCSA-N -1 1 319.409 0.235 20 0 DCADMM Cc1occc1C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969269012 657643141 /nfs/dbraw/zinc/64/31/41/657643141.db2.gz DTQGWCUHKJDEED-VIFPVBQESA-N -1 1 319.365 0.260 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2COC[C@@H]2C2CC2)co1 ZINC000891055257 657652965 /nfs/dbraw/zinc/65/29/65/657652965.db2.gz WJEGQCPUSJOQBH-MNOVXSKESA-N -1 1 314.363 0.343 20 0 DCADMM Cc1nccnc1CN1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001038194224 657794960 /nfs/dbraw/zinc/79/49/60/657794960.db2.gz OXVUMPKITQMFKB-LBPRGKRZSA-N -1 1 313.361 0.890 20 0 DCADMM C[C@@H](NC(=O)[C@H]1CC1(C)C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969504265 657937617 /nfs/dbraw/zinc/93/76/17/657937617.db2.gz YOELHGVQNRATQX-MWLCHTKSSA-N -1 1 307.398 0.091 20 0 DCADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ncnn2C)C1 ZINC000969546511 657962125 /nfs/dbraw/zinc/96/21/25/657962125.db2.gz KIHZDXGBAOMUQB-JTQLQIEISA-N -1 1 316.365 0.166 20 0 DCADMM Cc1cc(C(=O)N[C@H](C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)co1 ZINC000969543486 657969477 /nfs/dbraw/zinc/96/94/77/657969477.db2.gz OZWWMIIURYDTMD-SNVBAGLBSA-N -1 1 319.365 0.260 20 0 DCADMM Cc1ccncc1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998801501 665533002 /nfs/dbraw/zinc/53/30/02/665533002.db2.gz YRVAEXGQRKQUCQ-NSHDSACASA-N -1 1 316.365 0.608 20 0 DCADMM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866859014 658114275 /nfs/dbraw/zinc/11/42/75/658114275.db2.gz HBTTULGHUBYADO-UHFFFAOYSA-N -1 1 308.306 0.980 20 0 DCADMM Cc1cc(C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)ncn1 ZINC000998948723 665552994 /nfs/dbraw/zinc/55/29/94/665552994.db2.gz NUOFKGLOVPZCNE-SNVBAGLBSA-N -1 1 317.353 0.003 20 0 DCADMM O=C(Nc1nnn[n-]1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000076963710 658334070 /nfs/dbraw/zinc/33/40/70/658334070.db2.gz 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COc1cc(C)[n-]c(=NNS(=O)(=O)c2cn(C)nc2C)n1 ZINC000808096781 670389489 /nfs/dbraw/zinc/38/94/89/670389489.db2.gz XYPPZQHAUCRDKI-UHFFFAOYSA-N -1 1 312.355 0.141 20 0 DCADMM C[C@@H]1CN(Cn2[n-]c(-c3ccccn3)nc2=S)CC(=O)N1 ZINC000840132731 670403950 /nfs/dbraw/zinc/40/39/50/670403950.db2.gz IVYDIWQYDGUIHB-SECBINFHSA-N -1 1 304.379 0.780 20 0 DCADMM Cn1[n-]c(COC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)nc1=O ZINC000808590100 670416756 /nfs/dbraw/zinc/41/67/56/670416756.db2.gz PWHZVYFKUJAGOC-WDEREUQCSA-N -1 1 317.301 0.456 20 0 DCADMM C[C@H]1CC[C@H](CC(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)C1 ZINC000949733450 670417683 /nfs/dbraw/zinc/41/76/83/670417683.db2.gz GCUYRCQXJHJODR-STQMWFEESA-N -1 1 321.425 0.579 20 0 DCADMM Cc1cnc(COCC(=O)N=c2ccnc3n(C)[n-]cc2-3)o1 ZINC000808783498 670426323 /nfs/dbraw/zinc/42/63/23/670426323.db2.gz DTPNYNQHIDKJCC-UHFFFAOYSA-N -1 1 301.306 0.794 20 0 DCADMM O=C(NC[C@@H]1CCN1C(=O)c1ncccc1[O-])c1ccnnc1 ZINC000952239241 670463948 /nfs/dbraw/zinc/46/39/48/670463948.db2.gz IVIXNTVKUOVUQJ-NSHDSACASA-N -1 1 313.317 0.222 20 0 DCADMM COCC(=O)N1CC[C@H]1CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000950037103 670486208 /nfs/dbraw/zinc/48/62/08/670486208.db2.gz DGFJTBBIUZPNRB-JTQLQIEISA-N -1 1 320.349 0.037 20 0 DCADMM CC(C)(C)N1CC[C@@](F)(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000810584765 670491070 /nfs/dbraw/zinc/49/10/70/670491070.db2.gz FXJMBXWJCRYTFQ-MFKMUULPSA-N -1 1 322.402 0.434 20 0 DCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cnnn1C ZINC000811108925 670507139 /nfs/dbraw/zinc/50/71/39/670507139.db2.gz PEJUKOKGCLJFTP-UHFFFAOYSA-N -1 1 324.362 0.934 20 0 DCADMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000811544964 670533509 /nfs/dbraw/zinc/53/35/09/670533509.db2.gz RYSLJARNVXRFRN-QMTHXVAHSA-N -1 1 315.329 0.565 20 0 DCADMM CC1(C)CN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1[C@@H]1CCCO1 ZINC000811595710 670538674 /nfs/dbraw/zinc/53/86/74/670538674.db2.gz UWKYHKRHDXLINN-WCQYABFASA-N -1 1 321.377 0.343 20 0 DCADMM C[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CCC1(F)F ZINC000811602041 670539585 /nfs/dbraw/zinc/53/95/85/670539585.db2.gz SSRVOJBFWPFSCC-VIFPVBQESA-N -1 1 301.293 0.430 20 0 DCADMM Cc1nn(C(C)C)cc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000847471952 670558451 /nfs/dbraw/zinc/55/84/51/670558451.db2.gz HZENBCUKAIRNBD-NSHDSACASA-N -1 1 305.342 0.499 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000854635133 670602964 /nfs/dbraw/zinc/60/29/64/670602964.db2.gz MXYYOJZVJJAVJN-UHFFFAOYSA-N -1 1 312.326 0.344 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@H](c2ccncc2)C1 ZINC000848102061 670634994 /nfs/dbraw/zinc/63/49/94/670634994.db2.gz TYWQKBLMNNQNGS-ZDUSSCGKSA-N -1 1 314.345 0.338 20 0 DCADMM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N(C)C)cnn1C ZINC000813951771 670664965 /nfs/dbraw/zinc/66/49/65/670664965.db2.gz SIQVPPNKXOZWJL-LLVKDONJSA-N -1 1 302.400 0.120 20 0 DCADMM Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)C2 ZINC000848491246 670691225 /nfs/dbraw/zinc/69/12/25/670691225.db2.gz QOEZMLOUWZZYJK-LURJTMIESA-N -1 1 316.774 0.027 20 0 DCADMM Cc1ccc2c(c1)CN(C(=O)CCn1cc[n-]c(=O)c1=O)CC2 ZINC000855380725 670703388 /nfs/dbraw/zinc/70/33/88/670703388.db2.gz QCONMXHWZXMVTH-UHFFFAOYSA-N -1 1 313.357 0.820 20 0 DCADMM O=C(NCCS(=O)(=O)CC(F)(F)F)c1cncc([O-])c1 ZINC000855577846 670731893 /nfs/dbraw/zinc/73/18/93/670731893.db2.gz WVALWKYATUXVEQ-UHFFFAOYSA-N -1 1 312.269 0.494 20 0 DCADMM CCn1nc(C)c(C(=O)OCCC[N-]C(=O)C(F)(F)F)n1 ZINC000815297613 670733528 /nfs/dbraw/zinc/73/35/28/670733528.db2.gz JEYUSAGEPFQOOP-UHFFFAOYSA-N -1 1 308.260 0.832 20 0 DCADMM CC(C)(C)N1C[C@@H](C(=O)[N-]OCCN2CCCC2=O)CC1=O ZINC000856037684 670778402 /nfs/dbraw/zinc/77/84/02/670778402.db2.gz MYASVEVVMDOPQD-NSHDSACASA-N -1 1 311.382 0.304 20 0 DCADMM Cc1noc(Cl)c1CC(=O)[N-]OCCN1CCCC1=O ZINC000856039044 670779306 /nfs/dbraw/zinc/77/93/06/670779306.db2.gz NDDQOIDIJVCWAT-UHFFFAOYSA-N -1 1 301.730 0.849 20 0 DCADMM COC(=O)[C@@H](F)C[N-]S(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000849400649 670790368 /nfs/dbraw/zinc/79/03/68/670790368.db2.gz XLBFEYRMXNMEKX-WDEREUQCSA-N -1 1 311.375 0.622 20 0 DCADMM O=C(NCCn1cnnn1)c1cc(Br)ccc1[O-] ZINC000816287203 670800763 /nfs/dbraw/zinc/80/07/63/670800763.db2.gz RUASRFLPZHIDAO-UHFFFAOYSA-N -1 1 312.127 0.571 20 0 DCADMM O=C([C@@H]1CCc2ccccc2O1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000840334072 670893920 /nfs/dbraw/zinc/89/39/20/670893920.db2.gz MDXVIBHFTWRZFW-STQMWFEESA-N -1 1 315.333 0.493 20 0 DCADMM CC[C@H](CS(=O)(=O)[N-][C@H]1COc2ccccc2[C@H]1O)OC ZINC000817142948 670901488 /nfs/dbraw/zinc/90/14/88/670901488.db2.gz VESWKLWIBRJQGK-SCDSUCTJSA-N -1 1 315.391 0.825 20 0 DCADMM CC(C)(CO)O[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000857285231 670905096 /nfs/dbraw/zinc/90/50/96/670905096.db2.gz UYAYLCXSCHFOLP-NSHDSACASA-N -1 1 307.350 0.249 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)Cc2n[n-]c(=O)o2)c1Br ZINC000857294628 670907027 /nfs/dbraw/zinc/90/70/27/670907027.db2.gz JBSXAMUWEBMHSZ-UHFFFAOYSA-N -1 1 316.115 0.841 20 0 DCADMM C[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)C(F)(F)F ZINC000857339509 670910833 /nfs/dbraw/zinc/91/08/33/670910833.db2.gz GWYYCMFVYFWCIS-RITPCOANSA-N -1 1 321.259 0.039 20 0 DCADMM C[C@@](O)(C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccccc1 ZINC000817554083 670924118 /nfs/dbraw/zinc/92/41/18/670924118.db2.gz LAFXYKGKTRMKHV-ABAIWWIYSA-N -1 1 301.350 0.813 20 0 DCADMM COC(=O)N1CCC(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000857614250 670936147 /nfs/dbraw/zinc/93/61/47/670936147.db2.gz BGHZCRKHEZLKKP-UHFFFAOYSA-N -1 1 317.349 0.759 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)CSC(F)F)nc2n1 ZINC000857684418 670938929 /nfs/dbraw/zinc/93/89/29/670938929.db2.gz KPFLMADWKDXYAE-UHFFFAOYSA-N -1 1 303.294 0.874 20 0 DCADMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858444002 671004871 /nfs/dbraw/zinc/00/48/71/671004871.db2.gz YYFVIQNYJDGAGP-JGVFFNPUSA-N -1 1 320.802 0.965 20 0 DCADMM COC(=O)[C@H](O)C1CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858454441 671006096 /nfs/dbraw/zinc/00/60/96/671006096.db2.gz GKRWFEUSRRAYNZ-SNVBAGLBSA-N -1 1 301.730 0.586 20 0 DCADMM CS(=O)(=O)N1CC[C@@H](CNc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858456247 671006159 /nfs/dbraw/zinc/00/61/59/671006159.db2.gz DBRYTQCWDADSJU-ZETCQYMHSA-N -1 1 306.775 0.529 20 0 DCADMM CN(C)C(=O)[C@@H]1CC[C@@H](CNc2cc(Cl)[n-]c(=O)n2)O1 ZINC000858467352 671007820 /nfs/dbraw/zinc/00/78/20/671007820.db2.gz UUVUIBDZDLHXGA-YUMQZZPRSA-N -1 1 300.746 0.883 20 0 DCADMM C[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@H](C)N1C ZINC000818621227 671037792 /nfs/dbraw/zinc/03/77/92/671037792.db2.gz OSOHMUKSRFTSHV-DTORHVGOSA-N -1 1 309.332 0.995 20 0 DCADMM CNS(=O)(=O)C[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858864827 671047646 /nfs/dbraw/zinc/04/76/46/671047646.db2.gz GWQPNJVGSGZWKM-QMMMGPOBSA-N -1 1 320.802 0.601 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000819261004 671106660 /nfs/dbraw/zinc/10/66/60/671106660.db2.gz JQYSNQMBHYBCNO-XJKSGUPXSA-N -1 1 319.361 0.097 20 0 DCADMM CCn1ncn([N-]C(=O)c2c(C)n[nH]c2Br)c1=O ZINC000820399551 671198775 /nfs/dbraw/zinc/19/87/75/671198775.db2.gz KCUHXZJLUGAVSL-UHFFFAOYSA-N -1 1 315.131 0.243 20 0 DCADMM COCCNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000853016291 671202269 /nfs/dbraw/zinc/20/22/69/671202269.db2.gz WZDUOGPURATIKN-BDAKNGLRSA-N -1 1 311.304 0.731 20 0 DCADMM CN(Cc1ccco1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821615896 671285616 /nfs/dbraw/zinc/28/56/16/671285616.db2.gz SYKROOKVVCFLAY-UHFFFAOYSA-N -1 1 302.298 0.857 20 0 DCADMM CN(Cc1ccco1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821615896 671285617 /nfs/dbraw/zinc/28/56/17/671285617.db2.gz SYKROOKVVCFLAY-UHFFFAOYSA-N -1 1 302.298 0.857 20 0 DCADMM Cn1nccc1[C@H]1CCCN(C(=O)CCCc2nn[n-]n2)C1 ZINC000822749977 671341287 /nfs/dbraw/zinc/34/12/87/671341287.db2.gz JCUNWOGIWCMWSM-NSHDSACASA-N -1 1 303.370 0.662 20 0 DCADMM Cn1nccc1[C@@H]1CCCN(C(=O)CCCc2nn[n-]n2)C1 ZINC000822749976 671341407 /nfs/dbraw/zinc/34/14/07/671341407.db2.gz JCUNWOGIWCMWSM-LLVKDONJSA-N -1 1 303.370 0.662 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCCC1=O ZINC000823397365 671392036 /nfs/dbraw/zinc/39/20/36/671392036.db2.gz WEMIZFPSEBKHJA-UHFFFAOYSA-N -1 1 321.318 0.234 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCCC1=O ZINC000823397365 671392039 /nfs/dbraw/zinc/39/20/39/671392039.db2.gz WEMIZFPSEBKHJA-UHFFFAOYSA-N -1 1 321.318 0.234 20 0 DCADMM O=C(OCCN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823405118 671392359 /nfs/dbraw/zinc/39/23/59/671392359.db2.gz JCOFKYPXWNUHEM-UHFFFAOYSA-N -1 1 321.318 0.234 20 0 DCADMM O=C(OCCN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823405118 671392361 /nfs/dbraw/zinc/39/23/61/671392361.db2.gz JCOFKYPXWNUHEM-UHFFFAOYSA-N -1 1 321.318 0.234 20 0 DCADMM O=C(OCCNc1cccnn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823405245 671392535 /nfs/dbraw/zinc/39/25/35/671392535.db2.gz MMXLKXNJVLEXGG-UHFFFAOYSA-N -1 1 312.293 0.321 20 0 DCADMM O=C(OCCNc1cccnn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823405245 671392539 /nfs/dbraw/zinc/39/25/39/671392539.db2.gz MMXLKXNJVLEXGG-UHFFFAOYSA-N -1 1 312.293 0.321 20 0 DCADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H]2CCCC[C@@H]21 ZINC000824967440 671445437 /nfs/dbraw/zinc/44/54/37/671445437.db2.gz JZSLHCVXIYQUFR-GMTAPVOTSA-N -1 1 316.369 0.495 20 0 DCADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000825133975 671450696 /nfs/dbraw/zinc/45/06/96/671450696.db2.gz QYEYXSYQUCROEN-ONGXEEELSA-N -1 1 320.353 0.779 20 0 DCADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825133975 671450698 /nfs/dbraw/zinc/45/06/98/671450698.db2.gz QYEYXSYQUCROEN-ONGXEEELSA-N -1 1 320.353 0.779 20 0 DCADMM COCCCOCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826156526 671482025 /nfs/dbraw/zinc/48/20/25/671482025.db2.gz IBHIXSYKHCHBQM-UHFFFAOYSA-N -1 1 307.310 0.564 20 0 DCADMM COc1cccnc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826221031 671482409 /nfs/dbraw/zinc/48/24/09/671482409.db2.gz LKQMORHFPQNPBK-UHFFFAOYSA-N -1 1 315.293 0.748 20 0 DCADMM COc1cccnc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826221031 671482411 /nfs/dbraw/zinc/48/24/11/671482411.db2.gz LKQMORHFPQNPBK-UHFFFAOYSA-N -1 1 315.293 0.748 20 0 DCADMM Cc1nc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cs1 ZINC000826326174 671483794 /nfs/dbraw/zinc/48/37/94/671483794.db2.gz DWUWKFIPZZTFLD-UHFFFAOYSA-N -1 1 319.350 0.787 20 0 DCADMM Cc1nc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cs1 ZINC000826326174 671483796 /nfs/dbraw/zinc/48/37/96/671483796.db2.gz DWUWKFIPZZTFLD-UHFFFAOYSA-N -1 1 319.350 0.787 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H]2C(C)(C)O)c1-c1nnn[n-]1 ZINC000826344776 671485429 /nfs/dbraw/zinc/48/54/29/671485429.db2.gz RLLAIRGCDGVHAV-SNVBAGLBSA-N -1 1 320.353 0.468 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H]2C(C)(C)O)c1-c1nn[n-]n1 ZINC000826344776 671485430 /nfs/dbraw/zinc/48/54/30/671485430.db2.gz RLLAIRGCDGVHAV-SNVBAGLBSA-N -1 1 320.353 0.468 20 0 DCADMM Cc1onc(CC(=O)NCC(C)(C)C[C@H](C)O)c1-c1nnn[n-]1 ZINC000826346109 671485458 /nfs/dbraw/zinc/48/54/58/671485458.db2.gz CQFQGAGIWPGXBE-QMMMGPOBSA-N -1 1 322.369 0.619 20 0 DCADMM Cc1onc(CC(=O)NCC(C)(C)C[C@H](C)O)c1-c1nn[n-]n1 ZINC000826346109 671485459 /nfs/dbraw/zinc/48/54/59/671485459.db2.gz CQFQGAGIWPGXBE-QMMMGPOBSA-N -1 1 322.369 0.619 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H](C)C[C@H](C)O)c1-c1nnn[n-]1 ZINC000826346104 671485468 /nfs/dbraw/zinc/48/54/68/671485468.db2.gz CKHCFHVMBSWBTL-YUMQZZPRSA-N -1 1 308.342 0.229 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H](C)C[C@H](C)O)c1-c1nn[n-]n1 ZINC000826346104 671485469 /nfs/dbraw/zinc/48/54/69/671485469.db2.gz CKHCFHVMBSWBTL-YUMQZZPRSA-N -1 1 308.342 0.229 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826347554 671485723 /nfs/dbraw/zinc/48/57/23/671485723.db2.gz VFEGWIZOAINTPX-SECBINFHSA-N -1 1 306.326 0.391 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826347554 671485725 /nfs/dbraw/zinc/48/57/25/671485725.db2.gz VFEGWIZOAINTPX-SECBINFHSA-N -1 1 306.326 0.391 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(C2CC2)cc1 ZINC000826425421 671487801 /nfs/dbraw/zinc/48/78/01/671487801.db2.gz CPMNQDIMQRXODV-UHFFFAOYSA-N -1 1 310.321 0.974 20 0 DCADMM O=C(NCCc1ccc(CO)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826439495 671488048 /nfs/dbraw/zinc/48/80/48/671488048.db2.gz XFACUYFWPOSLAV-UHFFFAOYSA-N -1 1 324.344 0.727 20 0 DCADMM O=C(NCCc1ccc(CO)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826439495 671488049 /nfs/dbraw/zinc/48/80/49/671488049.db2.gz XFACUYFWPOSLAV-UHFFFAOYSA-N -1 1 324.344 0.727 20 0 DCADMM O[C@H](COc1ccc(F)cc1)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826505225 671490008 /nfs/dbraw/zinc/49/00/08/671490008.db2.gz PXZQXGGZPCICEX-VIFPVBQESA-N -1 1 305.273 0.037 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cnn(C)c2C2CC2)CC1 ZINC000827379959 671525381 /nfs/dbraw/zinc/52/53/81/671525381.db2.gz NAAJBOJOCKMIRT-NSHDSACASA-N -1 1 320.393 0.919 20 0 DCADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@@H](O)[C@@H](O)C1 ZINC000827618190 671533995 /nfs/dbraw/zinc/53/39/95/671533995.db2.gz GLBPTDZEVMJOEH-MNOVXSKESA-N -1 1 316.151 0.722 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000827900258 671539369 /nfs/dbraw/zinc/53/93/69/671539369.db2.gz COEJWDNSVBOBMC-WZBKEBKWSA-N -1 1 311.345 0.829 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](CF)c1ccc(F)cc1 ZINC000828098100 671544360 /nfs/dbraw/zinc/54/43/60/671544360.db2.gz RDKQPOCRSVQTMS-GFCCVEGCSA-N -1 1 323.299 0.893 20 0 DCADMM CO[C@]1(CNC(=O)c2ccc3n[n-]c(=S)n3c2)CCOC1 ZINC000828538598 671555557 /nfs/dbraw/zinc/55/55/57/671555557.db2.gz PUTDEZCFJSWSNE-ZDUSSCGKSA-N -1 1 308.363 0.553 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)CCN2CC3(C2)CCOCC3)c1[O-] ZINC000829257170 671571982 /nfs/dbraw/zinc/57/19/82/671571982.db2.gz HBUUJTUTZIDFDS-UHFFFAOYSA-N -1 1 308.382 0.608 20 0 DCADMM CNC(=O)C1([N-]S(=O)(=O)c2c[nH]nc2Cl)CCCC1 ZINC000830338553 671623376 /nfs/dbraw/zinc/62/33/76/671623376.db2.gz MKHZHGMQDGWPKN-UHFFFAOYSA-N -1 1 306.775 0.400 20 0 DCADMM COC(=O)[C@@H](NCCC[N-]C(=O)C(F)(F)F)c1ccnn1C ZINC000830375751 671626177 /nfs/dbraw/zinc/62/61/77/671626177.db2.gz WCXUSSLMGGLXSN-VIFPVBQESA-N -1 1 322.287 0.292 20 0 DCADMM NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)C1 ZINC000830593925 671633236 /nfs/dbraw/zinc/63/32/36/671633236.db2.gz JUBYXLVYMADCIS-BQBZGAKWSA-N -1 1 306.775 0.386 20 0 DCADMM COCCN(C(=O)c1ccc2n[n-]c(=S)n2c1)[C@@H]1CCOC1 ZINC000830744730 671639066 /nfs/dbraw/zinc/63/90/66/671639066.db2.gz DNBGFUVWEMSOBO-LLVKDONJSA-N -1 1 322.390 0.896 20 0 DCADMM COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000830871295 671645136 /nfs/dbraw/zinc/64/51/36/671645136.db2.gz JFKSMVDDCXMUGC-ZIAGYGMSSA-N -1 1 322.361 0.090 20 0 DCADMM CCn1ccc(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000831122117 671654416 /nfs/dbraw/zinc/65/44/16/671654416.db2.gz VXRKLMAIVWCMQL-UHFFFAOYSA-N -1 1 318.299 0.582 20 0 DCADMM O=C(Cc1ccc(F)cn1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831130435 671654877 /nfs/dbraw/zinc/65/48/77/671654877.db2.gz VPXLPRNWZPTIGD-UHFFFAOYSA-N -1 1 319.258 0.900 20 0 DCADMM Cc1cnn(CCC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000831149723 671656290 /nfs/dbraw/zinc/65/62/90/671656290.db2.gz VRTNPAOEMDOAQG-UHFFFAOYSA-N -1 1 318.299 0.719 20 0 DCADMM O=S(=O)([N-]CC1(CCO)CC1)c1nc[nH]c1Br ZINC000867134859 671802705 /nfs/dbraw/zinc/80/27/05/671802705.db2.gz QHPUBODCTZVMSP-UHFFFAOYSA-N -1 1 324.200 0.613 20 0 DCADMM O=C([O-])c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000833153784 671746398 /nfs/dbraw/zinc/74/63/98/671746398.db2.gz FYXNZFTVYLYLDV-GFCCVEGCSA-N -1 1 317.345 0.676 20 0 DCADMM O=C([O-])N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)C1 ZINC000834099291 671751375 /nfs/dbraw/zinc/75/13/75/671751375.db2.gz NVDXDPAMPXXOCN-NXEZZACHSA-N -1 1 308.342 0.296 20 0 DCADMM CC(C)C(=O)N[C@@H](CO)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821725 671782944 /nfs/dbraw/zinc/78/29/44/671782944.db2.gz DYWYSXHAAKUHCL-NSHDSACASA-N -1 1 314.769 0.795 20 0 DCADMM CCOC(=O)C[C@@H](O)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834826508 671783251 /nfs/dbraw/zinc/78/32/51/671783251.db2.gz RUKRVFWWHQTTKO-LLVKDONJSA-N -1 1 301.726 0.976 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)CC(C)(C)O)o1 ZINC000835427213 671795995 /nfs/dbraw/zinc/79/59/95/671795995.db2.gz RYAXVTPJLGTOKE-MRVPVSSYSA-N -1 1 305.352 0.894 20 0 DCADMM CCOC1(CS(=O)(=O)[N-]CC2OCCCO2)CCOCC1 ZINC000867161809 671817800 /nfs/dbraw/zinc/81/78/00/671817800.db2.gz QJKVHJKFIYCUHA-UHFFFAOYSA-N -1 1 323.411 0.255 20 0 DCADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(CO)CC2(CCC2)C1 ZINC000867204858 671841898 /nfs/dbraw/zinc/84/18/98/671841898.db2.gz RTOWYRKYMWKZON-LJQANCHMSA-N -1 1 324.468 0.881 20 0 DCADMM Cn1ncc(S(=O)(=O)[N-]CCCCO)c1C(F)(F)F ZINC000867204082 671842258 /nfs/dbraw/zinc/84/22/58/671842258.db2.gz XCYVMAMPWSDKJG-UHFFFAOYSA-N -1 1 301.290 0.490 20 0 DCADMM O=C1NCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867495518 671843925 /nfs/dbraw/zinc/84/39/25/671843925.db2.gz FPRIKLUQWXIEPW-LURJTMIESA-N -1 1 310.162 0.555 20 0 DCADMM CC[C@](COC)(NC(=O)N[C@H]1CCCc2cn[nH]c21)C(=O)[O-] ZINC000837298209 671856041 /nfs/dbraw/zinc/85/60/41/671856041.db2.gz KSSCAUDJFHQSFE-IINYFYTJSA-N -1 1 310.354 0.966 20 0 DCADMM CC(C)(CNC(=O)c1ncccc1[O-])[C@@H]1COCC12OCCO2 ZINC000837989863 671891491 /nfs/dbraw/zinc/89/14/91/671891491.db2.gz CDFMVDSNCBYKNW-LBPRGKRZSA-N -1 1 322.361 0.933 20 0 DCADMM CCOC(=O)C1(S(=O)(=O)[N-][C@@H]2C[C@@H](C)OC2=O)CCC1 ZINC000867269926 671952938 /nfs/dbraw/zinc/95/29/38/671952938.db2.gz MTORKRRIAUQPEW-RKDXNWHRSA-N -1 1 305.352 0.096 20 0 DCADMM COCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867281159 671965286 /nfs/dbraw/zinc/96/52/86/671965286.db2.gz AFYKOKOLPVVNHW-QMMMGPOBSA-N -1 1 310.322 0.690 20 0 DCADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](C1CC1)C(C)(C)CO ZINC000867283054 671972222 /nfs/dbraw/zinc/97/22/22/671972222.db2.gz CRAJKLDSDBNDNH-XTZNXHDOSA-N -1 1 312.457 0.736 20 0 DCADMM COCC(C)(C)C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843015294 672053743 /nfs/dbraw/zinc/05/37/43/672053743.db2.gz DWXQZHJKGHLCSY-UHFFFAOYSA-N -1 1 306.428 0.589 20 0 DCADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)COC2(C)CCC2)CCC1 ZINC000843016968 672054749 /nfs/dbraw/zinc/05/47/49/672054749.db2.gz WPJDQBQWEGZSTK-UHFFFAOYSA-N -1 1 318.439 0.876 20 0 DCADMM C[C@H]1CCn2ncc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)c2C1 ZINC000843790136 672121220 /nfs/dbraw/zinc/12/12/20/672121220.db2.gz BNGYRDILRGUVSN-JOYOIKCWSA-N -1 1 317.353 0.192 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000843926060 672129881 /nfs/dbraw/zinc/12/98/81/672129881.db2.gz XCDCEECFABWNPI-STQMWFEESA-N -1 1 321.377 0.344 20 0 DCADMM Cc1ccc([C@@H]2C[C@H]2NC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000843994069 672132680 /nfs/dbraw/zinc/13/26/80/672132680.db2.gz FCYKXVJTEYLVRO-UONOGXRCSA-N -1 1 313.357 0.907 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cn2c(n1)CCC2 ZINC000844132651 672151976 /nfs/dbraw/zinc/15/19/76/672151976.db2.gz HVQFWFYTQMXTFE-ZDUSSCGKSA-N -1 1 309.333 0.862 20 0 DCADMM CCC[C@@H]1CN(C(=O)COCC(=O)[O-])CCN1CCOC ZINC000844224159 672166122 /nfs/dbraw/zinc/16/61/22/672166122.db2.gz GGHWBPNANPNUDT-GFCCVEGCSA-N -1 1 302.371 0.047 20 0 DCADMM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000867361522 672190339 /nfs/dbraw/zinc/19/03/39/672190339.db2.gz QPWKFNNVBNNOCH-LURJTMIESA-N -1 1 324.200 0.876 20 0 DCADMM O=S(=O)([N-]C[C@@H](O)C1CCC1)c1nc[nH]c1Br ZINC000867372409 672206330 /nfs/dbraw/zinc/20/63/30/672206330.db2.gz PUZXUCINMLHXQL-SSDOTTSWSA-N -1 1 324.200 0.612 20 0 DCADMM CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867380291 672224088 /nfs/dbraw/zinc/22/40/88/672224088.db2.gz GCZYYTBRDILSBV-QMMMGPOBSA-N -1 1 306.290 0.590 20 0 DCADMM NS(=O)(=O)CCCCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000848970378 685369517 /nfs/dbraw/zinc/36/95/17/685369517.db2.gz TUKKNNWJPZSLDB-UHFFFAOYSA-N -1 1 311.360 0.031 20 0 DCADMM C[C@H]([N-]S(=O)(=O)c1nc[nH]c1Br)C(C)(C)O ZINC000866839452 685382823 /nfs/dbraw/zinc/38/28/23/685382823.db2.gz WUBISBSRUYNJTF-YFKPBYRVSA-N -1 1 312.189 0.610 20 0 DCADMM Cn1c(CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)n[n-]c1=S ZINC000066625398 685068032 /nfs/dbraw/zinc/06/80/32/685068032.db2.gz VAKNIAHKMKARIE-UHFFFAOYSA-N -1 1 304.335 0.577 20 0 DCADMM CN(C(=O)c1ncccc1[O-])C1CN(C(=O)c2ccccn2)C1 ZINC000954123987 685948797 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C[C@@]1(NC(=O)c2ncccc2[O-])CCN(C(=O)c2cnco2)C1 ZINC000956851770 686883936 /nfs/dbraw/zinc/88/39/36/686883936.db2.gz NBRNAKNARAPGSB-OAHLLOKOSA-N -1 1 316.317 0.810 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2CCC(C)(C)C2)nc1=O ZINC001038674089 694157111 /nfs/dbraw/zinc/15/71/11/694157111.db2.gz NHXCSJCZDFLRFP-RYUDHWBXSA-N -1 1 321.425 0.625 20 0 DCADMM O=C([C@@H]1CC12CC2)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000960148441 688311050 /nfs/dbraw/zinc/31/10/50/688311050.db2.gz VKAMEYHQBIMAIB-QWRGUYRKSA-N -1 1 305.382 0.781 20 0 DCADMM CCC(CC)C(=O)N1CCC[C@@H]1CN(C)Cc1nc(=O)n(C)[n-]1 ZINC000960419036 688371588 /nfs/dbraw/zinc/37/15/88/688371588.db2.gz IZRFXLOTCXTNDW-CYBMUJFWSA-N -1 1 323.441 0.967 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1CCCN1C(=O)/C=C\C1CC1 ZINC000960507678 688400059 /nfs/dbraw/zinc/40/00/59/688400059.db2.gz KQTIQIQLXBANJI-WSROAFLRSA-N -1 1 319.409 0.497 20 0 DCADMM COCC(=O)N1CCC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC000965904168 689575783 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DCADMM CC(C)C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001573950205 1163598327 /nfs/dbraw/zinc/59/83/27/1163598327.db2.gz PTQQGXRCHUAQMR-ONGXEEELSA-N -1 1 316.369 0.572 20 0 DCADMM CC(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573969582 1163613967 /nfs/dbraw/zinc/61/39/67/1163613967.db2.gz MKPIFECJKDOQDX-MWLCHTKSSA-N -1 1 316.369 0.254 20 0 DCADMM CC(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573969582 1163613970 /nfs/dbraw/zinc/61/39/70/1163613970.db2.gz MKPIFECJKDOQDX-MWLCHTKSSA-N -1 1 316.369 0.254 20 0 DCADMM Cc1nc(C(=O)N[C@H](CO)Cc2cnc[nH]2)ccc1C(=O)[O-] ZINC001574181392 1163654260 /nfs/dbraw/zinc/65/42/60/1163654260.db2.gz WNTNETPOAMBQCF-JTQLQIEISA-N -1 1 304.306 0.145 20 0 DCADMM Cc1nnc(SCC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])[nH]1 ZINC001574183146 1163655689 /nfs/dbraw/zinc/65/56/89/1163655689.db2.gz YBMRLXYGWBULEK-DTWKUNHWSA-N -1 1 314.367 0.344 20 0 DCADMM Cc1n[nH]c(SCC(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC001574183146 1163655695 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CCC(=O)N(CC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576410438 1164331019 /nfs/dbraw/zinc/33/10/19/1164331019.db2.gz JCEOCXXEMBCCBP-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N(CC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576410438 1164331026 /nfs/dbraw/zinc/33/10/26/1164331026.db2.gz JCEOCXXEMBCCBP-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576410474 1164332371 /nfs/dbraw/zinc/33/23/71/1164332371.db2.gz JLOVNLUFKQIGOP-UHFFFAOYSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576410474 1164332377 /nfs/dbraw/zinc/33/23/77/1164332377.db2.gz JLOVNLUFKQIGOP-UHFFFAOYSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001576416239 1164336960 /nfs/dbraw/zinc/33/69/60/1164336960.db2.gz MCOAXHOLYUPIAJ-QMMMGPOBSA-N -1 1 318.341 0.177 20 0 DCADMM CCC(=O)N1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001576416239 1164336966 /nfs/dbraw/zinc/33/69/66/1164336966.db2.gz MCOAXHOLYUPIAJ-QMMMGPOBSA-N -1 1 318.341 0.177 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576445447 1164346536 /nfs/dbraw/zinc/34/65/36/1164346536.db2.gz RIPIHTDAHJPXCS-VHSXEESVSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576445447 1164346543 /nfs/dbraw/zinc/34/65/43/1164346543.db2.gz RIPIHTDAHJPXCS-VHSXEESVSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001576471085 1164353195 /nfs/dbraw/zinc/35/31/95/1164353195.db2.gz JREMQXMJBDYTPJ-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001576471085 1164353200 /nfs/dbraw/zinc/35/32/00/1164353200.db2.gz JREMQXMJBDYTPJ-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001576478007 1164358034 /nfs/dbraw/zinc/35/80/34/1164358034.db2.gz WVSFIPFXNKSAEB-KYZUINATSA-N -1 1 316.369 0.688 20 0 DCADMM CCC(=O)N[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001576478007 1164358042 /nfs/dbraw/zinc/35/80/42/1164358042.db2.gz WVSFIPFXNKSAEB-KYZUINATSA-N -1 1 316.369 0.688 20 0 DCADMM CCC(C)(C)C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576542849 1164385666 /nfs/dbraw/zinc/38/56/66/1164385666.db2.gz UZBWICDUJUOFOY-SECBINFHSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576560692 1164390483 /nfs/dbraw/zinc/39/04/83/1164390483.db2.gz AEUMZCBBYCCYGN-SNVBAGLBSA-N -1 1 318.385 0.597 20 0 DCADMM CC[C@H](C)C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001576583302 1164403523 /nfs/dbraw/zinc/40/35/23/1164403523.db2.gz WWVZJZLGMINYKF-UWVGGRQHSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@H](C)C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001576583302 1164403527 /nfs/dbraw/zinc/40/35/27/1164403527.db2.gz WWVZJZLGMINYKF-UWVGGRQHSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@H](C)C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576586382 1164406117 /nfs/dbraw/zinc/40/61/17/1164406117.db2.gz XSOAZQJBSWESTC-UWVGGRQHSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@H](CNC(=O)CCCF)Nc1nccnc1-c1nnn[n-]1 ZINC001576816339 1164479121 /nfs/dbraw/zinc/47/91/21/1164479121.db2.gz JJQYYCVYRKBFNC-SECBINFHSA-N -1 1 322.348 0.713 20 0 DCADMM CC[C@H](CNC(=O)CCCF)Nc1nccnc1-c1nn[n-]n1 ZINC001576816339 1164479124 /nfs/dbraw/zinc/47/91/24/1164479124.db2.gz JJQYYCVYRKBFNC-SECBINFHSA-N -1 1 322.348 0.713 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576936024 1164542374 /nfs/dbraw/zinc/54/23/74/1164542374.db2.gz DFTCVCKCORYJGP-BDAKNGLRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576936024 1164542382 /nfs/dbraw/zinc/54/23/82/1164542382.db2.gz DFTCVCKCORYJGP-BDAKNGLRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001576953450 1164552839 /nfs/dbraw/zinc/55/28/39/1164552839.db2.gz GOPGITKNJKBCIR-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001576953450 1164552862 /nfs/dbraw/zinc/55/28/62/1164552862.db2.gz GOPGITKNJKBCIR-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001576957395 1164557342 /nfs/dbraw/zinc/55/73/42/1164557342.db2.gz RWHDYHVRUOHJAK-IUCAKERBSA-N -1 1 322.348 0.569 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001576957395 1164557351 /nfs/dbraw/zinc/55/73/51/1164557351.db2.gz RWHDYHVRUOHJAK-IUCAKERBSA-N -1 1 322.348 0.569 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576969080 1164562713 /nfs/dbraw/zinc/56/27/13/1164562713.db2.gz LECSJHFUAFQFEP-IWSPIJDZSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576969080 1164562718 /nfs/dbraw/zinc/56/27/18/1164562718.db2.gz LECSJHFUAFQFEP-IWSPIJDZSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576966542 1164563343 /nfs/dbraw/zinc/56/33/43/1164563343.db2.gz UXRQKTUFUMVHHC-DTWKUNHWSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576966542 1164563349 /nfs/dbraw/zinc/56/33/49/1164563349.db2.gz UXRQKTUFUMVHHC-DTWKUNHWSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H]1CN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CCO1 ZINC001577170114 1164618616 /nfs/dbraw/zinc/61/86/16/1164618616.db2.gz UZGWUIQJROCBCX-SECBINFHSA-N -1 1 318.337 0.527 20 0 DCADMM CCCC(=O)N(C)CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001577183966 1164625396 /nfs/dbraw/zinc/62/53/96/1164625396.db2.gz CFJNRYYGOGNKIG-UHFFFAOYSA-N -1 1 318.385 0.660 20 0 DCADMM CCCC(=O)N(C)CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001577183966 1164625400 /nfs/dbraw/zinc/62/54/00/1164625400.db2.gz CFJNRYYGOGNKIG-UHFFFAOYSA-N -1 1 318.385 0.660 20 0 DCADMM CCCC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577190059 1164629460 /nfs/dbraw/zinc/62/94/60/1164629460.db2.gz COGSFEMXLVSNPO-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577190059 1164629464 /nfs/dbraw/zinc/62/94/64/1164629464.db2.gz COGSFEMXLVSNPO-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577216588 1164638083 /nfs/dbraw/zinc/63/80/83/1164638083.db2.gz VSOGEQGINUKEIW-UHFFFAOYSA-N -1 1 316.369 0.185 20 0 DCADMM CCCC(=O)NC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001577214098 1164638664 /nfs/dbraw/zinc/63/86/64/1164638664.db2.gz YIKNDUSBJFNMKQ-SECBINFHSA-N -1 1 318.385 0.936 20 0 DCADMM CCCC(=O)NC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001577214098 1164638668 /nfs/dbraw/zinc/63/86/68/1164638668.db2.gz YIKNDUSBJFNMKQ-SECBINFHSA-N -1 1 318.385 0.936 20 0 DCADMM CCN(CCCNC(=O)CCOC)C(=O)c1ncccc1[O-] ZINC001577433547 1164691769 /nfs/dbraw/zinc/69/17/69/1164691769.db2.gz QJJKAXLRENXORN-UHFFFAOYSA-N -1 1 309.366 0.792 20 0 DCADMM CCN(C[C@@H](C)OC)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577874484 1164821791 /nfs/dbraw/zinc/82/17/91/1164821791.db2.gz VPGWCJFDYHWWEC-SECBINFHSA-N -1 1 320.353 0.773 20 0 DCADMM O=S(=O)([N-][C@H](CO)c1cn[nH]n1)C1=Cc2ccccc2OC1 ZINC001578048535 1164908047 /nfs/dbraw/zinc/90/80/47/1164908047.db2.gz PEJJGZKIQIPBBL-GFCCVEGCSA-N -1 1 322.346 0.191 20 0 DCADMM CCOC(=O)c1nc[nH]c1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001578250684 1164962713 /nfs/dbraw/zinc/96/27/13/1164962713.db2.gz CASDKCBVPOUAJB-UHFFFAOYSA-N -1 1 314.309 0.196 20 0 DCADMM CCc1c(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cnn1CC ZINC001578492991 1165034615 /nfs/dbraw/zinc/03/46/15/1165034615.db2.gz YFDDUXPKKFUAPJ-UHFFFAOYSA-N -1 1 315.341 0.929 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(C)=O)n1 ZINC001578597557 1165067125 /nfs/dbraw/zinc/06/71/25/1165067125.db2.gz GORVKUDUPOAKIK-UWVGGRQHSA-N -1 1 314.353 0.029 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(C)=O)n1 ZINC001578597557 1165067136 /nfs/dbraw/zinc/06/71/36/1165067136.db2.gz GORVKUDUPOAKIK-UWVGGRQHSA-N -1 1 314.353 0.029 20 0 DCADMM CCc1nc(N[C@H]2CN(C(C)=O)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001578645955 1165075654 /nfs/dbraw/zinc/07/56/54/1165075654.db2.gz ZBFZCEPNTWGMKW-KWQFWETISA-N -1 1 316.369 0.498 20 0 DCADMM CCc1nc(N[C@H]2CN(C(C)=O)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001578645955 1165075660 /nfs/dbraw/zinc/07/56/60/1165075660.db2.gz ZBFZCEPNTWGMKW-KWQFWETISA-N -1 1 316.369 0.498 20 0 DCADMM CCn1ccnc1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001578794315 1165114063 /nfs/dbraw/zinc/11/40/63/1165114063.db2.gz DHYIVPNTWZNKIS-UHFFFAOYSA-N -1 1 314.309 0.739 20 0 DCADMM CN(C)C(=O)OCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001578960828 1165170033 /nfs/dbraw/zinc/17/00/33/1165170033.db2.gz QJYYSIUUSLLQJB-UHFFFAOYSA-N -1 1 314.305 0.837 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)C1(C)CC1 ZINC001579211128 1165237826 /nfs/dbraw/zinc/23/78/26/1165237826.db2.gz OUDZNUSGMABDKN-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)C1(C)CC1 ZINC001579211128 1165237833 /nfs/dbraw/zinc/23/78/33/1165237833.db2.gz OUDZNUSGMABDKN-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CNC(=O)[C@@H](Cc1ccccc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001579385621 1165293712 /nfs/dbraw/zinc/29/37/12/1165293712.db2.gz MGACMRPFVIYMJW-GFCCVEGCSA-N -1 1 324.348 0.426 20 0 DCADMM CNC(=O)[C@@H](Cc1ccccc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001579385621 1165293720 /nfs/dbraw/zinc/29/37/20/1165293720.db2.gz MGACMRPFVIYMJW-GFCCVEGCSA-N -1 1 324.348 0.426 20 0 DCADMM CNC(=O)C1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001579386408 1165294227 /nfs/dbraw/zinc/29/42/27/1165294227.db2.gz IVRJRRCXNRTEJA-UHFFFAOYSA-N -1 1 320.378 0.526 20 0 DCADMM CNC(=O)N[C@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001579403325 1165301361 /nfs/dbraw/zinc/30/13/61/1165301361.db2.gz ZPDCFFZREXHKQW-ZETCQYMHSA-N -1 1 321.366 0.072 20 0 DCADMM CNC(=O)N[C@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001579403325 1165301367 /nfs/dbraw/zinc/30/13/67/1165301367.db2.gz ZPDCFFZREXHKQW-ZETCQYMHSA-N -1 1 321.366 0.072 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3cc(-c4nnn[n-]4)ncn3)[C@@H]2C1 ZINC001579446235 1165312790 /nfs/dbraw/zinc/31/27/90/1165312790.db2.gz IZCYVVMAPJWMIX-KYXWUPHJSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3cc(-c4nn[n-]n4)ncn3)[C@@H]2C1 ZINC001579446235 1165312794 /nfs/dbraw/zinc/31/27/94/1165312794.db2.gz IZCYVVMAPJWMIX-KYXWUPHJSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)c1ccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)o1 ZINC001579482195 1165326019 /nfs/dbraw/zinc/32/60/19/1165326019.db2.gz WBBZSTQXEMLTRJ-UHFFFAOYSA-N -1 1 317.261 0.769 20 0 DCADMM COC(=O)c1ccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)o1 ZINC001579482195 1165326025 /nfs/dbraw/zinc/32/60/25/1165326025.db2.gz WBBZSTQXEMLTRJ-UHFFFAOYSA-N -1 1 317.261 0.769 20 0 DCADMM COC(=O)c1cc(Cn2cnc(-c3nn[n-]n3)cc2=O)oc1C ZINC001579479782 1165326301 /nfs/dbraw/zinc/32/63/01/1165326301.db2.gz SONNVRHQPGRQGM-UHFFFAOYSA-N -1 1 316.277 0.160 20 0 DCADMM COC(=O)c1ccnc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001579488629 1165330708 /nfs/dbraw/zinc/33/07/08/1165330708.db2.gz OHZABSAOTYLCGD-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1ccnc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001579488629 1165330714 /nfs/dbraw/zinc/33/07/14/1165330714.db2.gz OHZABSAOTYLCGD-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1cnc(CNc2ncncc2-c2nn[n-]n2)s1 ZINC001579489168 1165331451 /nfs/dbraw/zinc/33/14/51/1165331451.db2.gz QKIOPKQNGUSHSE-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001579848999 1165409511 /nfs/dbraw/zinc/40/95/11/1165409511.db2.gz UMYRRLKEYWLZQJ-OPRDCNLKSA-N -1 1 320.357 0.093 20 0 DCADMM COc1ccc(OC)c(Cn2cnc(-c3nn[n-]n3)cc2=O)c1 ZINC001580048049 1165486275 /nfs/dbraw/zinc/48/62/75/1165486275.db2.gz CNNDDDZBUXTRHF-UHFFFAOYSA-N -1 1 314.305 0.489 20 0 DCADMM COc1cccc(OC)c1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001580070900 1165492029 /nfs/dbraw/zinc/49/20/29/1165492029.db2.gz IEDRTXLBYMXOLM-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM COc1cccc(OC)c1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001580070900 1165492037 /nfs/dbraw/zinc/49/20/37/1165492037.db2.gz IEDRTXLBYMXOLM-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM COc1ccccc1NCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001580083914 1165494605 /nfs/dbraw/zinc/49/46/05/1165494605.db2.gz WZBQHGMUHDAMIA-UHFFFAOYSA-N -1 1 314.309 0.649 20 0 DCADMM COc1ccccc1NCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001580083914 1165494609 /nfs/dbraw/zinc/49/46/09/1165494609.db2.gz WZBQHGMUHDAMIA-UHFFFAOYSA-N -1 1 314.309 0.649 20 0 DCADMM COc1ccnc(CNC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001580095221 1165501779 /nfs/dbraw/zinc/50/17/79/1165501779.db2.gz OSJDLMMXOLANSQ-UHFFFAOYSA-N -1 1 300.278 0.793 20 0 DCADMM COc1ccnc(CNC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001580095221 1165501783 /nfs/dbraw/zinc/50/17/83/1165501783.db2.gz OSJDLMMXOLANSQ-UHFFFAOYSA-N -1 1 300.278 0.793 20 0 DCADMM COc1ncc(NC(=O)N[C@H]2C[C@@H](CO)C2)cc1-c1nn[n-]n1 ZINC001580139131 1165516511 /nfs/dbraw/zinc/51/65/11/1165516511.db2.gz WLWIBYYGMYZZRV-OCAPTIKFSA-N -1 1 319.325 0.163 20 0 DCADMM C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001580248519 1165548060 /nfs/dbraw/zinc/54/80/60/1165548060.db2.gz KTMPCYNGBDMWOF-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001580248519 1165548065 /nfs/dbraw/zinc/54/80/65/1165548065.db2.gz KTMPCYNGBDMWOF-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@@H](C)C1=O ZINC001580328051 1165572940 /nfs/dbraw/zinc/57/29/40/1165572940.db2.gz WAEXRTBAASGWLO-RKDXNWHRSA-N -1 1 315.337 0.951 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@@H](C)C1=O ZINC001580328051 1165572950 /nfs/dbraw/zinc/57/29/50/1165572950.db2.gz WAEXRTBAASGWLO-RKDXNWHRSA-N -1 1 315.337 0.951 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CC1(C)C ZINC001580429780 1165601279 /nfs/dbraw/zinc/60/12/79/1165601279.db2.gz SADAMIXJGYVFTR-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CC1(C)C ZINC001580429780 1165601283 /nfs/dbraw/zinc/60/12/83/1165601283.db2.gz SADAMIXJGYVFTR-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)COc2cccnc2)nn1C ZINC001580522389 1165629142 /nfs/dbraw/zinc/62/91/42/1165629142.db2.gz OYEGQFIWEUEWFS-UHFFFAOYSA-N -1 1 314.309 0.321 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)COc2cccnc2)nn1C ZINC001580522389 1165629145 /nfs/dbraw/zinc/62/91/45/1165629145.db2.gz OYEGQFIWEUEWFS-UHFFFAOYSA-N -1 1 314.309 0.321 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC(O)(C(C)C)C1 ZINC001580598214 1165649551 /nfs/dbraw/zinc/64/95/51/1165649551.db2.gz UVNBYUHBKOVJNS-UHFFFAOYSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@@H]1[C@H](C)O ZINC001580596690 1165649589 /nfs/dbraw/zinc/64/95/89/1165649589.db2.gz DIGNHEYEWADOSB-WCBMZHEXSA-N -1 1 318.337 0.261 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1C[C@H](O)C1(C)C ZINC001580600453 1165650984 /nfs/dbraw/zinc/65/09/84/1165650984.db2.gz DJMJFTUVCNMMEI-IUCAKERBSA-N -1 1 318.337 0.165 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC001580601194 1165651389 /nfs/dbraw/zinc/65/13/89/1165651389.db2.gz JQFWZEKEXHBBJS-KHQFGBGNSA-N -1 1 318.337 0.571 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001580600722 1165651719 /nfs/dbraw/zinc/65/17/19/1165651719.db2.gz OYXUQWRBWAKETF-DTORHVGOSA-N -1 1 318.337 0.525 20 0 DCADMM Cc1nocc1CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001580605755 1165653986 /nfs/dbraw/zinc/65/39/86/1165653986.db2.gz HQWDUGRQENGAJR-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H](C)NC(=O)C(C)C)n1 ZINC001580632041 1165668448 /nfs/dbraw/zinc/66/84/48/1165668448.db2.gz JZCAGQDTHPPSKI-SNVBAGLBSA-N -1 1 318.385 0.562 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H](C)NC(=O)C(C)C)n1 ZINC001580632041 1165668452 /nfs/dbraw/zinc/66/84/52/1165668452.db2.gz JZCAGQDTHPPSKI-SNVBAGLBSA-N -1 1 318.385 0.562 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCC[C@]3(C(N)=O)C2)n1 ZINC001580677759 1165683368 /nfs/dbraw/zinc/68/33/68/1165683368.db2.gz OYCBPIMFLMSDLO-XPTSAGLGSA-N -1 1 314.353 0.057 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCC[C@]3(C(N)=O)C2)n1 ZINC001580677759 1165683374 /nfs/dbraw/zinc/68/33/74/1165683374.db2.gz OYCBPIMFLMSDLO-XPTSAGLGSA-N -1 1 314.353 0.057 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H](C)NC(=O)C(C)C)n1 ZINC001580685340 1165687017 /nfs/dbraw/zinc/68/70/17/1165687017.db2.gz QNJGAZVPOBQRMV-ZJUUUORDSA-N -1 1 318.385 0.926 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H](C)NC(=O)C(C)C)n1 ZINC001580685340 1165687019 /nfs/dbraw/zinc/68/70/19/1165687019.db2.gz QNJGAZVPOBQRMV-ZJUUUORDSA-N -1 1 318.385 0.926 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)CNC(=O)C(C)C)n1 ZINC001580715540 1165695792 /nfs/dbraw/zinc/69/57/92/1165695792.db2.gz CVKZPXWRBPPYCW-SECBINFHSA-N -1 1 318.385 0.785 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)CNC(=O)C(C)C)n1 ZINC001580715540 1165695795 /nfs/dbraw/zinc/69/57/95/1165695795.db2.gz CVKZPXWRBPPYCW-SECBINFHSA-N -1 1 318.385 0.785 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)CNC(=O)C(C)C)n1 ZINC001580715541 1165696134 /nfs/dbraw/zinc/69/61/34/1165696134.db2.gz CVKZPXWRBPPYCW-VIFPVBQESA-N -1 1 318.385 0.785 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)CNC(=O)C(C)C)n1 ZINC001580715541 1165696141 /nfs/dbraw/zinc/69/61/41/1165696141.db2.gz CVKZPXWRBPPYCW-VIFPVBQESA-N -1 1 318.385 0.785 20 0 DCADMM Cc1cn(C)nc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001581309513 1165811729 /nfs/dbraw/zinc/81/17/29/1165811729.db2.gz JTUOYMQVELLOBR-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1cn(C)nc1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001581309513 1165811739 /nfs/dbraw/zinc/81/17/39/1165811739.db2.gz JTUOYMQVELLOBR-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1[nH]nc(NC(=O)c2c(C)nc(N)nc2C)c1-c1nn[n-]n1 ZINC001581463829 1165832714 /nfs/dbraw/zinc/83/27/14/1165832714.db2.gz CAWDOEOPRAKMOL-UHFFFAOYSA-N -1 1 314.313 0.140 20 0 DCADMM Cc1nc(N[C@@H](C)c2nnnn2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001581492412 1165834612 /nfs/dbraw/zinc/83/46/12/1165834612.db2.gz DUPLQCSANLMWEW-LURJTMIESA-N -1 1 313.329 0.460 20 0 DCADMM Cc1nc(N[C@@H](C)c2nnnn2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001581492412 1165834623 /nfs/dbraw/zinc/83/46/23/1165834623.db2.gz DUPLQCSANLMWEW-LURJTMIESA-N -1 1 313.329 0.460 20 0 DCADMM Cc1nc(NC[C@@H]2CCCN(C(N)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001581516279 1165837482 /nfs/dbraw/zinc/83/74/82/1165837482.db2.gz QXVHESMWKGYOHZ-VIFPVBQESA-N -1 1 317.357 0.168 20 0 DCADMM Cc1nc(NC[C@@H]2CCCN(C(N)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001581516279 1165837486 /nfs/dbraw/zinc/83/74/86/1165837486.db2.gz QXVHESMWKGYOHZ-VIFPVBQESA-N -1 1 317.357 0.168 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ncc(Cl)cn2)c1-c1nnn[n-]1 ZINC001581595161 1165847133 /nfs/dbraw/zinc/84/71/33/1165847133.db2.gz QZKUUJWAZICWRG-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ncc(Cl)cn2)c1-c1nn[n-]n1 ZINC001581595161 1165847140 /nfs/dbraw/zinc/84/71/40/1165847140.db2.gz QZKUUJWAZICWRG-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1ncsc1CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001581586423 1165847981 /nfs/dbraw/zinc/84/79/81/1165847981.db2.gz OHQVERVYVWHSQB-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1ncsc1CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001581586423 1165847991 /nfs/dbraw/zinc/84/79/91/1165847991.db2.gz OHQVERVYVWHSQB-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cn1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1=O ZINC001581791543 1165878261 /nfs/dbraw/zinc/87/82/61/1165878261.db2.gz KLSSTYSEWVMUFS-UHFFFAOYSA-N -1 1 302.319 0.879 20 0 DCADMM Cn1cnc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001581808237 1165879838 /nfs/dbraw/zinc/87/98/38/1165879838.db2.gz SHQDOEJEPFGEEZ-UHFFFAOYSA-N -1 1 319.354 0.056 20 0 DCADMM CCCOCC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001581857589 1165889778 /nfs/dbraw/zinc/88/97/78/1165889778.db2.gz IRFABEZYEWNVQA-LBPRGKRZSA-N -1 1 321.377 0.935 20 0 DCADMM Nc1n[nH]c2c1CN(c1nc(Cl)c(-c3nnn[n-]3)s1)CC2 ZINC001581910609 1165912631 /nfs/dbraw/zinc/91/26/31/1165912631.db2.gz UOUGDTUISMGPQU-UHFFFAOYSA-N -1 1 323.773 0.845 20 0 DCADMM Nc1n[nH]c2c1CN(c1nc(Cl)c(-c3nn[n-]n3)s1)CC2 ZINC001581910609 1165912635 /nfs/dbraw/zinc/91/26/35/1165912635.db2.gz UOUGDTUISMGPQU-UHFFFAOYSA-N -1 1 323.773 0.845 20 0 DCADMM O=C(C=Cc1ccncn1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581956259 1165921910 /nfs/dbraw/zinc/92/19/10/1165921910.db2.gz RQLBPBDQTCOWLI-OWOJBTEDSA-N -1 1 308.305 0.381 20 0 DCADMM O=C(C=Cc1ccncn1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581956259 1165921913 /nfs/dbraw/zinc/92/19/13/1165921913.db2.gz RQLBPBDQTCOWLI-OWOJBTEDSA-N -1 1 308.305 0.381 20 0 DCADMM O=C(CC1CC1)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001581972577 1165926841 /nfs/dbraw/zinc/92/68/41/1165926841.db2.gz SAQVZKRIUUVNAQ-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(CC1CC1)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001581972577 1165926847 /nfs/dbraw/zinc/92/68/47/1165926847.db2.gz SAQVZKRIUUVNAQ-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(CC1CCC1)NCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001581977849 1165928760 /nfs/dbraw/zinc/92/87/60/1165928760.db2.gz JYLBIDPFJQBIDE-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CC1CCC1)NCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001581977849 1165928768 /nfs/dbraw/zinc/92/87/68/1165928768.db2.gz JYLBIDPFJQBIDE-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(Cc1cccc(O)c1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001582147998 1165970887 /nfs/dbraw/zinc/97/08/87/1165970887.db2.gz NIFHMUKXPATILU-UHFFFAOYSA-N -1 1 316.346 0.888 20 0 DCADMM O=C(Cc1cccc(O)c1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001582147998 1165970892 /nfs/dbraw/zinc/97/08/92/1165970892.db2.gz NIFHMUKXPATILU-UHFFFAOYSA-N -1 1 316.346 0.888 20 0 DCADMM O=C(Cc1cncc(O)c1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582173481 1165977305 /nfs/dbraw/zinc/97/73/05/1165977305.db2.gz VGAGBGDHXAZHAO-UHFFFAOYSA-N -1 1 316.346 0.888 20 0 DCADMM O=C(NC[C@H](O)c1c[nH]cn1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582380550 1166008338 /nfs/dbraw/zinc/00/83/38/1166008338.db2.gz BBGXSOYQZRNSGZ-JTQLQIEISA-N -1 1 317.284 0.192 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H](O)c1cccnc1 ZINC001582557953 1166044101 /nfs/dbraw/zinc/04/41/01/1166044101.db2.gz AWGGCARBLBBPHS-SNVBAGLBSA-N -1 1 317.334 0.068 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H](O)c1cccnc1 ZINC001582557953 1166044107 /nfs/dbraw/zinc/04/41/07/1166044107.db2.gz AWGGCARBLBBPHS-SNVBAGLBSA-N -1 1 317.334 0.068 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H](O)c1ccccn1 ZINC001582558140 1166044584 /nfs/dbraw/zinc/04/45/84/1166044584.db2.gz JDYGWSSAWUAESX-JTQLQIEISA-N -1 1 317.334 0.068 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H](O)c1ccccn1 ZINC001582558140 1166044590 /nfs/dbraw/zinc/04/45/90/1166044590.db2.gz JDYGWSSAWUAESX-JTQLQIEISA-N -1 1 317.334 0.068 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001582629310 1166055008 /nfs/dbraw/zinc/05/50/08/1166055008.db2.gz IAHCBGXQNWLWQK-HLTSFMKQSA-N -1 1 315.337 0.973 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001582648155 1166060456 /nfs/dbraw/zinc/06/04/56/1166060456.db2.gz QELCVBQEJWEDAR-SKDRFNHKSA-N -1 1 315.337 0.904 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001582648155 1166060460 /nfs/dbraw/zinc/06/04/60/1166060460.db2.gz QELCVBQEJWEDAR-SKDRFNHKSA-N -1 1 315.337 0.904 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001582759676 1166075483 /nfs/dbraw/zinc/07/54/83/1166075483.db2.gz GJTCUDWUAMYJSB-CYBMUJFWSA-N -1 1 318.362 0.280 20 0 DCADMM O=C1CN(c2cccc(-c3nnn[n-]3)n2)[C@H](c2ccccc2)CN1 ZINC001582777470 1166080030 /nfs/dbraw/zinc/08/00/30/1166080030.db2.gz ZCMKFNHVZXWCGE-ZDUSSCGKSA-N -1 1 321.344 0.939 20 0 DCADMM O=C1CN(c2cccc(-c3nn[n-]n3)n2)[C@H](c2ccccc2)CN1 ZINC001582777470 1166080040 /nfs/dbraw/zinc/08/00/40/1166080040.db2.gz ZCMKFNHVZXWCGE-ZDUSSCGKSA-N -1 1 321.344 0.939 20 0 DCADMM c1nc(-c2nn[n-]n2)ncc1OC[C@H]1CCC[C@]2(CCOC2)O1 ZINC001582820426 1166098179 /nfs/dbraw/zinc/09/81/79/1166098179.db2.gz DAUDVODIHJLPRY-QMTHXVAHSA-N -1 1 318.337 0.764 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001583359128 1166246548 /nfs/dbraw/zinc/24/65/48/1166246548.db2.gz YDJCCDYZBUZBNF-ZETCQYMHSA-N -1 1 321.362 0.838 20 0 DCADMM Cc1noc(C)c1[N-]C(=O)c1nc2ncc(CCO)cn2n1 ZINC001583551227 1166269346 /nfs/dbraw/zinc/26/93/46/1166269346.db2.gz KZSNNSGFSQXGOR-UHFFFAOYSA-N -1 1 302.294 0.516 20 0 DCADMM Cc1oc(C(=O)[N-]c2nc3cnccn3n2)cc1S(C)(=O)=O ZINC001588282427 1166519739 /nfs/dbraw/zinc/51/97/39/1166519739.db2.gz QKZOEGYEBWQUEU-UHFFFAOYSA-N -1 1 321.318 0.682 20 0 DCADMM Brc1scnc1Cn1cc(-c2nn[n-]n2)nn1 ZINC001588324578 1166520529 /nfs/dbraw/zinc/52/05/29/1166520529.db2.gz CMAHPJJXVWKRSR-UHFFFAOYSA-N -1 1 313.144 0.726 20 0 DCADMM CC(C)(CC(=O)[O-])NC(=O)c1nc[nH]c(=O)c1Br ZINC001588758022 1166587961 /nfs/dbraw/zinc/58/79/61/1166587961.db2.gz BKJIITUAQFHVTR-UHFFFAOYSA-N -1 1 318.127 0.928 20 0 DCADMM CC(=O)N(C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588800153 1166592106 /nfs/dbraw/zinc/59/21/06/1166592106.db2.gz DPNGMWDROVLGND-UHFFFAOYSA-N -1 1 301.763 0.867 20 0 DCADMM CC(=O)N(C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588800153 1166592117 /nfs/dbraw/zinc/59/21/17/1166592117.db2.gz DPNGMWDROVLGND-UHFFFAOYSA-N -1 1 301.763 0.867 20 0 DCADMM CC(=O)N1CCCN(c2cc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588818923 1166597691 /nfs/dbraw/zinc/59/76/91/1166597691.db2.gz HIWVIABIWGOFNB-UHFFFAOYSA-N -1 1 301.354 0.629 20 0 DCADMM CC(=O)N1CCCN(c2cc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588818923 1166597695 /nfs/dbraw/zinc/59/76/95/1166597695.db2.gz HIWVIABIWGOFNB-UHFFFAOYSA-N -1 1 301.354 0.629 20 0 DCADMM CC(=O)NCC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001588857276 1166608649 /nfs/dbraw/zinc/60/86/49/1166608649.db2.gz FUWFRZJLHPXWCQ-NSHDSACASA-N -1 1 316.369 0.399 20 0 DCADMM CC(=O)NCC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001588857276 1166608658 /nfs/dbraw/zinc/60/86/58/1166608658.db2.gz FUWFRZJLHPXWCQ-NSHDSACASA-N -1 1 316.369 0.399 20 0 DCADMM CC(=O)NCC(C)(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001588852187 1166609422 /nfs/dbraw/zinc/60/94/22/1166609422.db2.gz UDGPVDMFVPTWKB-UHFFFAOYSA-N -1 1 318.337 0.467 20 0 DCADMM CC(=O)NCC(C)(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001588852187 1166609427 /nfs/dbraw/zinc/60/94/27/1166609427.db2.gz UDGPVDMFVPTWKB-UHFFFAOYSA-N -1 1 318.337 0.467 20 0 DCADMM CC(=O)N[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001588869256 1166613821 /nfs/dbraw/zinc/61/38/21/1166613821.db2.gz FGGYKZPDLLGLPT-LLVKDONJSA-N -1 1 317.353 0.751 20 0 DCADMM CC(=O)N[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588869256 1166613828 /nfs/dbraw/zinc/61/38/28/1166613828.db2.gz FGGYKZPDLLGLPT-LLVKDONJSA-N -1 1 317.353 0.751 20 0 DCADMM C[C@H](C(=O)N1C[C@H]2CCCC[C@@H]2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588947980 1166621682 /nfs/dbraw/zinc/62/16/82/1166621682.db2.gz BNKCMFJYQAGOQP-GMTAPVOTSA-N -1 1 316.369 0.668 20 0 DCADMM C[C@@H](C(=O)N1CC[C@H]1c1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951598 1166621907 /nfs/dbraw/zinc/62/19/07/1166621907.db2.gz GVDJCXIWRAYURI-JQWIXIFHSA-N -1 1 324.348 0.993 20 0 DCADMM C[C@@H](C(=O)NCc1cccc(O)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588998725 1166626458 /nfs/dbraw/zinc/62/64/58/1166626458.db2.gz TXHQFZWBKBXEMB-QMMMGPOBSA-N -1 1 314.309 0.041 20 0 DCADMM C[C@H](C(=O)NCc1cccc(O)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588998724 1166626942 /nfs/dbraw/zinc/62/69/42/1166626942.db2.gz TXHQFZWBKBXEMB-MRVPVSSYSA-N -1 1 314.309 0.041 20 0 DCADMM C[C@H](C(=O)OC[C@@H]1CCCCS1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028876 1166630820 /nfs/dbraw/zinc/63/08/20/1166630820.db2.gz ZHHOKBOZIMRBFL-BDAKNGLRSA-N -1 1 323.382 0.848 20 0 DCADMM CC(C)(C)CC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(N)=O ZINC001589123250 1166635948 /nfs/dbraw/zinc/63/59/48/1166635948.db2.gz MDQPSOJFLCFMPQ-MRVPVSSYSA-N -1 1 304.358 0.749 20 0 DCADMM CC(C)(C)CC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(N)=O ZINC001589123250 1166635953 /nfs/dbraw/zinc/63/59/53/1166635953.db2.gz MDQPSOJFLCFMPQ-MRVPVSSYSA-N -1 1 304.358 0.749 20 0 DCADMM CC(C)(C)N1C[C@@H](CNc2ncncc2-c2nn[n-]n2)CC1=O ZINC001589134014 1166638740 /nfs/dbraw/zinc/63/87/40/1166638740.db2.gz HXZVCXCICWMNNK-SECBINFHSA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)o1)n1ccnc1 ZINC001589283259 1166641269 /nfs/dbraw/zinc/64/12/69/1166641269.db2.gz MXXCWECXTYESBY-UHFFFAOYSA-N -1 1 301.310 0.821 20 0 DCADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)o1)n1ccnc1 ZINC001589283259 1166641278 /nfs/dbraw/zinc/64/12/78/1166641278.db2.gz MXXCWECXTYESBY-UHFFFAOYSA-N -1 1 301.310 0.821 20 0 DCADMM CC(C)(CC(N)=O)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589272031 1166642488 /nfs/dbraw/zinc/64/24/88/1166642488.db2.gz DLPTXKCMCHLVPR-UHFFFAOYSA-N -1 1 324.291 0.529 20 0 DCADMM CC(C)(CC(N)=O)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589272031 1166642494 /nfs/dbraw/zinc/64/24/94/1166642494.db2.gz DLPTXKCMCHLVPR-UHFFFAOYSA-N -1 1 324.291 0.529 20 0 DCADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)[C@]1(O)CCCOC1 ZINC001589292641 1166644507 /nfs/dbraw/zinc/64/45/07/1166644507.db2.gz GFAYBSQXKBYSRE-AWEZNQCLSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)[C@]1(O)CCCOC1 ZINC001589292641 1166644510 /nfs/dbraw/zinc/64/45/10/1166644510.db2.gz GFAYBSQXKBYSRE-AWEZNQCLSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)C(=O)NCCCNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589404218 1166656022 /nfs/dbraw/zinc/65/60/22/1166656022.db2.gz SPUFXACCFIHNRP-UHFFFAOYSA-N -1 1 317.353 0.154 20 0 DCADMM CC(C)C(=O)NCCCNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589404218 1166656025 /nfs/dbraw/zinc/65/60/25/1166656025.db2.gz SPUFXACCFIHNRP-UHFFFAOYSA-N -1 1 317.353 0.154 20 0 DCADMM CC(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589404663 1166657207 /nfs/dbraw/zinc/65/72/07/1166657207.db2.gz OWFWOLVDFMWMPZ-VIFPVBQESA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589404663 1166657211 /nfs/dbraw/zinc/65/72/11/1166657211.db2.gz OWFWOLVDFMWMPZ-VIFPVBQESA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)[C@H](C)NC(=O)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589437064 1166659487 /nfs/dbraw/zinc/65/94/87/1166659487.db2.gz RQASGHTXWAHROI-VIFPVBQESA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)[C@H](C)NC(=O)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589437064 1166659489 /nfs/dbraw/zinc/65/94/89/1166659489.db2.gz RQASGHTXWAHROI-VIFPVBQESA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)CC(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001589533804 1166665003 /nfs/dbraw/zinc/66/50/03/1166665003.db2.gz DNNTWUOKIMIXKR-ARJAWSKDSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)CC(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001589533804 1166665011 /nfs/dbraw/zinc/66/50/11/1166665011.db2.gz DNNTWUOKIMIXKR-ARJAWSKDSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001589613052 1166666581 /nfs/dbraw/zinc/66/65/81/1166666581.db2.gz PPXFKSALQKUUHU-UHFFFAOYSA-N -1 1 318.385 0.885 20 0 DCADMM CC(C)CN1CCN(c2cccc(-c3nnn[n-]3)n2)[C@H](C)C1=O ZINC001589629972 1166669868 /nfs/dbraw/zinc/66/98/68/1166669868.db2.gz LNHGIDUWVVVVGB-LLVKDONJSA-N -1 1 315.381 0.955 20 0 DCADMM CC(C)CN1CCN(c2cccc(-c3nn[n-]n3)n2)[C@H](C)C1=O ZINC001589629972 1166669871 /nfs/dbraw/zinc/66/98/71/1166669871.db2.gz LNHGIDUWVVVVGB-LLVKDONJSA-N -1 1 315.381 0.955 20 0 DCADMM CC(C)CO[C@H](C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001589638982 1166670818 /nfs/dbraw/zinc/67/08/18/1166670818.db2.gz LCZCAEBIZKYLLO-SNVBAGLBSA-N -1 1 304.354 0.939 20 0 DCADMM CC(C)CO[C@H](C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001589638982 1166670824 /nfs/dbraw/zinc/67/08/24/1166670824.db2.gz LCZCAEBIZKYLLO-SNVBAGLBSA-N -1 1 304.354 0.939 20 0 DCADMM CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)CC(=O)[O-] ZINC001589659031 1166671624 /nfs/dbraw/zinc/67/16/24/1166671624.db2.gz YFGYFGBWEPXGCF-VIFPVBQESA-N -1 1 305.342 0.628 20 0 DCADMM CC(C)NC(=O)[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589719693 1166676350 /nfs/dbraw/zinc/67/63/50/1166676350.db2.gz DNIMNBWBLXQKDL-QMMMGPOBSA-N -1 1 304.310 0.332 20 0 DCADMM CC(C)NC(=O)[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589719693 1166676353 /nfs/dbraw/zinc/67/63/53/1166676353.db2.gz DNIMNBWBLXQKDL-QMMMGPOBSA-N -1 1 304.310 0.332 20 0 DCADMM CC(C)[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(N)=O ZINC001589763102 1166682882 /nfs/dbraw/zinc/68/28/82/1166682882.db2.gz QOZMSSYDBWUETJ-SCSAIBSYSA-N -1 1 301.763 0.898 20 0 DCADMM CC(C)SCCNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001589761518 1166683901 /nfs/dbraw/zinc/68/39/01/1166683901.db2.gz VRPRUBBLHFKSHW-UHFFFAOYSA-N -1 1 311.371 0.220 20 0 DCADMM CC(C)n1ncnc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589785472 1166686929 /nfs/dbraw/zinc/68/69/29/1166686929.db2.gz DWTXLGFOJBWKBL-UHFFFAOYSA-N -1 1 313.325 0.364 20 0 DCADMM CC(C)n1ncnc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589785472 1166686932 /nfs/dbraw/zinc/68/69/32/1166686932.db2.gz DWTXLGFOJBWKBL-UHFFFAOYSA-N -1 1 313.325 0.364 20 0 DCADMM C[C@@H](CCC1CC1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001589805090 1166691022 /nfs/dbraw/zinc/69/10/22/1166691022.db2.gz PSDJLPUAEWNCID-ZETCQYMHSA-N -1 1 305.342 0.657 20 0 DCADMM C[C@H](CCCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CC1 ZINC001589814784 1166693662 /nfs/dbraw/zinc/69/36/62/1166693662.db2.gz PEIOVROTGWOFPI-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CCCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CC1 ZINC001589814784 1166693667 /nfs/dbraw/zinc/69/36/67/1166693667.db2.gz PEIOVROTGWOFPI-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC(C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589837664 1166696474 /nfs/dbraw/zinc/69/64/74/1166696474.db2.gz GQSFLKKVCYSUOK-SECBINFHSA-N -1 1 304.358 0.572 20 0 DCADMM CC(C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589837664 1166696496 /nfs/dbraw/zinc/69/64/96/1166696496.db2.gz GQSFLKKVCYSUOK-SECBINFHSA-N -1 1 304.358 0.572 20 0 DCADMM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccns1 ZINC001589917613 1166717717 /nfs/dbraw/zinc/71/77/17/1166717717.db2.gz GCGUWRLMMSZLHS-RNFRBKRXSA-N -1 1 319.354 0.353 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CCOCC1 ZINC001589925836 1166721661 /nfs/dbraw/zinc/72/16/61/1166721661.db2.gz HCCLXFXGVGCNOW-JTQLQIEISA-N -1 1 316.365 0.736 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CCOCC1 ZINC001589925836 1166721665 /nfs/dbraw/zinc/72/16/65/1166721665.db2.gz HCCLXFXGVGCNOW-JTQLQIEISA-N -1 1 316.365 0.736 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ncnn1C ZINC001589945009 1166728533 /nfs/dbraw/zinc/72/85/33/1166728533.db2.gz BZNGZLNSEMHOAK-LURJTMIESA-N -1 1 304.339 0.548 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ncnn1C ZINC001589945009 1166728540 /nfs/dbraw/zinc/72/85/40/1166728540.db2.gz BZNGZLNSEMHOAK-LURJTMIESA-N -1 1 304.339 0.548 20 0 DCADMM C[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@@H](O)C(F)(F)F ZINC001589947822 1166728968 /nfs/dbraw/zinc/72/89/68/1166728968.db2.gz YKUNRUUNOWCMAE-SVGQVSJJSA-N -1 1 316.243 0.303 20 0 DCADMM C[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@@H](O)C(F)(F)F ZINC001589947822 1166728971 /nfs/dbraw/zinc/72/89/71/1166728971.db2.gz YKUNRUUNOWCMAE-SVGQVSJJSA-N -1 1 316.243 0.303 20 0 DCADMM C[C@@H](Oc1ccccn1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590034884 1166761983 /nfs/dbraw/zinc/76/19/83/1166761983.db2.gz PDHLWNPLCFCVKV-SSDOTTSWSA-N -1 1 300.282 0.148 20 0 DCADMM CC1(C)C[C@@](C)(NC(=O)c2cccc(-c3nnn[n-]3)n2)C(=O)O1 ZINC001590080499 1166768953 /nfs/dbraw/zinc/76/89/53/1166768953.db2.gz PRLQKWKCGLDWSF-CQSZACIVSA-N -1 1 316.321 0.476 20 0 DCADMM CC1(C)C[C@@](C)(NC(=O)c2cccc(-c3nn[n-]n3)n2)C(=O)O1 ZINC001590080499 1166768960 /nfs/dbraw/zinc/76/89/60/1166768960.db2.gz PRLQKWKCGLDWSF-CQSZACIVSA-N -1 1 316.321 0.476 20 0 DCADMM CC1(C)[C@H]2[C@H](CCCN2c2ccc(-c3nnn[n-]3)nn2)[C@@H]1O ZINC001590121386 1166782280 /nfs/dbraw/zinc/78/22/80/1166782280.db2.gz QNLJMYUMUSFPDK-AXTRIDKLSA-N -1 1 301.354 0.642 20 0 DCADMM CC1(C)[C@H]2[C@H](CCCN2c2ccc(-c3nn[n-]n3)nn2)[C@@H]1O ZINC001590121386 1166782288 /nfs/dbraw/zinc/78/22/88/1166782288.db2.gz QNLJMYUMUSFPDK-AXTRIDKLSA-N -1 1 301.354 0.642 20 0 DCADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590169857 1166797918 /nfs/dbraw/zinc/79/79/18/1166797918.db2.gz ZIWKOABAWLPNBA-RDLWGGRYSA-N -1 1 312.424 0.665 20 0 DCADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590169857 1166797925 /nfs/dbraw/zinc/79/79/25/1166797925.db2.gz ZIWKOABAWLPNBA-RDLWGGRYSA-N -1 1 312.424 0.665 20 0 DCADMM C[C@@H]1C[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001590183297 1166803949 /nfs/dbraw/zinc/80/39/49/1166803949.db2.gz HTQVZQPAGZBNJT-HTQZYQBOSA-N -1 1 308.367 0.755 20 0 DCADMM C[C@@H]1C[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001590183297 1166803956 /nfs/dbraw/zinc/80/39/56/1166803956.db2.gz HTQVZQPAGZBNJT-HTQZYQBOSA-N -1 1 308.367 0.755 20 0 DCADMM C[C@@H]1C[C@H](C)CN1c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1C ZINC001590191138 1166804524 /nfs/dbraw/zinc/80/45/24/1166804524.db2.gz PSSAOFVWIKEPHV-JGVFFNPUSA-N -1 1 314.357 0.620 20 0 DCADMM C[C@H](C(=O)N1CC(C)(C)C[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590191882 1166806737 /nfs/dbraw/zinc/80/67/37/1166806737.db2.gz JYECKUODEOREBA-DTWKUNHWSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CS1 ZINC001590200957 1166808563 /nfs/dbraw/zinc/80/85/63/1166808563.db2.gz SSTUVXVZMZLMOL-RNFRBKRXSA-N -1 1 308.371 0.616 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CS1 ZINC001590200957 1166808569 /nfs/dbraw/zinc/80/85/69/1166808569.db2.gz SSTUVXVZMZLMOL-RNFRBKRXSA-N -1 1 308.371 0.616 20 0 DCADMM C[C@H]1CC[C@@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)O1 ZINC001590227687 1166820321 /nfs/dbraw/zinc/82/03/21/1166820321.db2.gz AZLDQEUPSNZVNY-ONGXEEELSA-N -1 1 302.338 0.488 20 0 DCADMM C[C@H]1CC[C@@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)O1 ZINC001590227687 1166820327 /nfs/dbraw/zinc/82/03/27/1166820327.db2.gz AZLDQEUPSNZVNY-ONGXEEELSA-N -1 1 302.338 0.488 20 0 DCADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590236860 1166823649 /nfs/dbraw/zinc/82/36/49/1166823649.db2.gz NJECHLWUWDLYIU-BDAKNGLRSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@H]1CCC[C@H](C)N1C(=O)Cn1cncc(-c2nn[n-]n2)c1=O ZINC001590243118 1166826929 /nfs/dbraw/zinc/82/69/29/1166826929.db2.gz IZSIYBSKKADWSQ-UWVGGRQHSA-N -1 1 317.353 0.213 20 0 DCADMM C[C@@H]1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590245743 1166827009 /nfs/dbraw/zinc/82/70/09/1166827009.db2.gz ZFWJEOIOFABQPE-NXEZZACHSA-N -1 1 304.358 0.543 20 0 DCADMM C[C@H]1CCCc2ncc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)n21 ZINC001590266477 1166831485 /nfs/dbraw/zinc/83/14/85/1166831485.db2.gz RTPDXTLFDUKNNV-ZETCQYMHSA-N -1 1 313.325 0.936 20 0 DCADMM C[C@H]1CCCc2ncc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)n21 ZINC001590266477 1166831491 /nfs/dbraw/zinc/83/14/91/1166831491.db2.gz RTPDXTLFDUKNNV-ZETCQYMHSA-N -1 1 313.325 0.936 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@]1(C)CO ZINC001590294028 1166842789 /nfs/dbraw/zinc/84/27/89/1166842789.db2.gz JWPPUFKCSQXUNO-OQPBUACISA-N -1 1 320.357 0.082 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@]1(C)CO ZINC001590294028 1166842793 /nfs/dbraw/zinc/84/27/93/1166842793.db2.gz JWPPUFKCSQXUNO-OQPBUACISA-N -1 1 320.357 0.082 20 0 DCADMM C[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590303482 1166848243 /nfs/dbraw/zinc/84/82/43/1166848243.db2.gz MMBXCZLDQLJSCH-SSDOTTSWSA-N -1 1 306.351 0.231 20 0 DCADMM C[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590303482 1166848249 /nfs/dbraw/zinc/84/82/49/1166848249.db2.gz MMBXCZLDQLJSCH-SSDOTTSWSA-N -1 1 306.351 0.231 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@](C)(C(F)F)O1 ZINC001590312725 1166856161 /nfs/dbraw/zinc/85/61/61/1166856161.db2.gz PVBGCKPFWMNMLO-JMCQJSRRSA-N -1 1 311.296 0.906 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@](C)(C(F)F)O1 ZINC001590312725 1166856170 /nfs/dbraw/zinc/85/61/70/1166856170.db2.gz PVBGCKPFWMNMLO-JMCQJSRRSA-N -1 1 311.296 0.906 20 0 DCADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@](C)(C(F)F)O1 ZINC001590312726 1166856991 /nfs/dbraw/zinc/85/69/91/1166856991.db2.gz PVBGCKPFWMNMLO-JVXZTZIISA-N -1 1 311.296 0.906 20 0 DCADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@](C)(C(F)F)O1 ZINC001590312726 1166856997 /nfs/dbraw/zinc/85/69/97/1166856997.db2.gz PVBGCKPFWMNMLO-JVXZTZIISA-N -1 1 311.296 0.906 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)CCCO1 ZINC001590311964 1166857802 /nfs/dbraw/zinc/85/78/02/1166857802.db2.gz FYIMFYMPKMODPS-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM C/C=C(/C)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590344021 1166876634 /nfs/dbraw/zinc/87/66/34/1166876634.db2.gz AZPYMAGBSIIOHE-JXQVMNEHSA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(/C)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590344021 1166876636 /nfs/dbraw/zinc/87/66/36/1166876636.db2.gz AZPYMAGBSIIOHE-JXQVMNEHSA-N -1 1 314.353 0.707 20 0 DCADMM CCC(=O)N(C)CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590359644 1166884315 /nfs/dbraw/zinc/88/43/15/1166884315.db2.gz GFGNVLNNVYEQSP-UHFFFAOYSA-N -1 1 304.358 0.270 20 0 DCADMM CCC(=O)N(C)CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590359644 1166884324 /nfs/dbraw/zinc/88/43/24/1166884324.db2.gz GFGNVLNNVYEQSP-UHFFFAOYSA-N -1 1 304.358 0.270 20 0 DCADMM CCC(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001590361218 1166885060 /nfs/dbraw/zinc/88/50/60/1166885060.db2.gz OVHCRALQMQBYNP-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CCC(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001590361218 1166885069 /nfs/dbraw/zinc/88/50/69/1166885069.db2.gz OVHCRALQMQBYNP-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CCC(=O)N[C@@H](C)CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001590363758 1166886118 /nfs/dbraw/zinc/88/61/18/1166886118.db2.gz UGJICIGHZWCPLK-ZETCQYMHSA-N -1 1 309.399 0.983 20 0 DCADMM CCC(=O)N1CCCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590362468 1166887673 /nfs/dbraw/zinc/88/76/73/1166887673.db2.gz NCSVJXGIIQRSJP-UHFFFAOYSA-N -1 1 321.410 0.768 20 0 DCADMM CCC(=O)N1CCCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590362468 1166887682 /nfs/dbraw/zinc/88/76/82/1166887682.db2.gz NCSVJXGIIQRSJP-UHFFFAOYSA-N -1 1 321.410 0.768 20 0 DCADMM CCC(=O)NC[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590364180 1166887694 /nfs/dbraw/zinc/88/76/94/1166887694.db2.gz FKKPQFVRAIZPRX-QMMMGPOBSA-N -1 1 304.358 0.539 20 0 DCADMM CCC(=O)NC[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590364180 1166887702 /nfs/dbraw/zinc/88/77/02/1166887702.db2.gz FKKPQFVRAIZPRX-QMMMGPOBSA-N -1 1 304.358 0.539 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590365379 1166888658 /nfs/dbraw/zinc/88/86/58/1166888658.db2.gz INUBFECLBZAIAK-SECBINFHSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(=O)NCCCN(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001590366557 1166889818 /nfs/dbraw/zinc/88/98/18/1166889818.db2.gz XERPGXDBBXTSOO-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CC/C(C)=C\C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590388687 1166894432 /nfs/dbraw/zinc/89/44/32/1166894432.db2.gz LKTAJAKVFQCFPI-BSKOKIOFSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C(C)=C\C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590388687 1166894441 /nfs/dbraw/zinc/89/44/41/1166894441.db2.gz LKTAJAKVFQCFPI-BSKOKIOFSA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@H](CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)OC ZINC001590442265 1166904830 /nfs/dbraw/zinc/90/48/30/1166904830.db2.gz VVZQSDZCFWPCEO-MRVPVSSYSA-N -1 1 306.326 0.431 20 0 DCADMM CC[C@]1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCNC1=O ZINC001590489350 1166921555 /nfs/dbraw/zinc/92/15/55/1166921555.db2.gz NRSMBOYFOLERKM-AWEZNQCLSA-N -1 1 316.321 0.221 20 0 DCADMM CC[C@]1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCNC1=O ZINC001590489350 1166921561 /nfs/dbraw/zinc/92/15/61/1166921561.db2.gz NRSMBOYFOLERKM-AWEZNQCLSA-N -1 1 316.321 0.221 20 0 DCADMM CC[C@@H](SC)C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590481812 1166924347 /nfs/dbraw/zinc/92/43/47/1166924347.db2.gz APIIZYYNWLEBGM-SECBINFHSA-N -1 1 322.398 0.326 20 0 DCADMM CC[C@@H](SC)C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590481812 1166924353 /nfs/dbraw/zinc/92/43/53/1166924353.db2.gz APIIZYYNWLEBGM-SECBINFHSA-N -1 1 322.398 0.326 20 0 DCADMM CC[C@@H]1C[C@@H](OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CCO1 ZINC001590504940 1166927068 /nfs/dbraw/zinc/92/70/68/1166927068.db2.gz MMDCDTPYKDBQPA-AEJSXWLSSA-N -1 1 321.341 0.520 20 0 DCADMM CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590502831 1166929458 /nfs/dbraw/zinc/92/94/58/1166929458.db2.gz UFWMFRKYDDSWJX-BXKDBHETSA-N -1 1 302.338 0.495 20 0 DCADMM CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590502831 1166929459 /nfs/dbraw/zinc/92/94/59/1166929459.db2.gz UFWMFRKYDDSWJX-BXKDBHETSA-N -1 1 302.338 0.495 20 0 DCADMM CC[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@@H](C)O1 ZINC001590517751 1166930694 /nfs/dbraw/zinc/93/06/94/1166930694.db2.gz SQCQVKCVTGRETK-PWSUYJOCSA-N -1 1 316.365 0.830 20 0 DCADMM CC[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@@H](C)O1 ZINC001590517751 1166930696 /nfs/dbraw/zinc/93/06/96/1166930696.db2.gz SQCQVKCVTGRETK-PWSUYJOCSA-N -1 1 316.365 0.830 20 0 DCADMM CC[C@H]1CO[C@@H](C)CN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590522471 1166932738 /nfs/dbraw/zinc/93/27/38/1166932738.db2.gz GDPZNCZCZABYQX-JQWIXIFHSA-N -1 1 316.365 0.830 20 0 DCADMM CC[C@H]1CO[C@@H](C)CN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590522471 1166932744 /nfs/dbraw/zinc/93/27/44/1166932744.db2.gz GDPZNCZCZABYQX-JQWIXIFHSA-N -1 1 316.365 0.830 20 0 DCADMM CC/C=C(/C)C(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001590536061 1166938069 /nfs/dbraw/zinc/93/80/69/1166938069.db2.gz UNISGXBOJKYUDB-WTKPLQERSA-N -1 1 302.342 0.541 20 0 DCADMM CC/C=C(/C)C(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001590536061 1166938073 /nfs/dbraw/zinc/93/80/73/1166938073.db2.gz UNISGXBOJKYUDB-WTKPLQERSA-N -1 1 302.342 0.541 20 0 DCADMM CCCC(=O)NCCCN(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001590538119 1166939123 /nfs/dbraw/zinc/93/91/23/1166939123.db2.gz YQHUEKAGFJZNAX-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590536841 1166940162 /nfs/dbraw/zinc/94/01/62/1166940162.db2.gz TUYHPTLWSCELIO-BDAKNGLRSA-N -1 1 304.358 0.762 20 0 DCADMM CCCC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590536841 1166940169 /nfs/dbraw/zinc/94/01/69/1166940169.db2.gz TUYHPTLWSCELIO-BDAKNGLRSA-N -1 1 304.358 0.762 20 0 DCADMM CCC[C@@H](NC(=O)c1ccnc(-c2nn[nH]n2)c1)c1nn[n-]n1 ZINC001590559356 1166941307 /nfs/dbraw/zinc/94/13/07/1166941307.db2.gz APPVSOCBTJNGEP-MRVPVSSYSA-N -1 1 314.313 0.046 20 0 DCADMM CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590567982 1166943513 /nfs/dbraw/zinc/94/35/13/1166943513.db2.gz VTUXEUAHUBITMN-MRVPVSSYSA-N -1 1 304.310 0.200 20 0 DCADMM CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590567982 1166943521 /nfs/dbraw/zinc/94/35/21/1166943521.db2.gz VTUXEUAHUBITMN-MRVPVSSYSA-N -1 1 304.310 0.200 20 0 DCADMM CCC[C@]1(C)C(=O)NCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001590563743 1166945032 /nfs/dbraw/zinc/94/50/32/1166945032.db2.gz KYTHAAOXFNPKKK-CQSZACIVSA-N -1 1 304.354 0.950 20 0 DCADMM CCC[C@]1(C)C(=O)NCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001590563743 1166945035 /nfs/dbraw/zinc/94/50/35/1166945035.db2.gz KYTHAAOXFNPKKK-CQSZACIVSA-N -1 1 304.354 0.950 20 0 DCADMM CCCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001590581322 1166947486 /nfs/dbraw/zinc/94/74/86/1166947486.db2.gz DJUBMCWTXXFQOB-LLVKDONJSA-N -1 1 318.337 0.723 20 0 DCADMM CCCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC001590581322 1166947489 /nfs/dbraw/zinc/94/74/89/1166947489.db2.gz DJUBMCWTXXFQOB-LLVKDONJSA-N -1 1 318.337 0.723 20 0 DCADMM CCCCC(=O)COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590570364 1166947526 /nfs/dbraw/zinc/94/75/26/1166947526.db2.gz 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CCc1nc(-c2nn[n-]n2)cc(N2CC[C@](F)(C(=O)OC)C2)n1 ZINC001590906016 1167045334 /nfs/dbraw/zinc/04/53/34/1167045334.db2.gz WBMMEJNHTYLWOP-CYBMUJFWSA-N -1 1 321.316 0.311 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C(N)=O)CC[C@H]2C)n1 ZINC001590905139 1167046369 /nfs/dbraw/zinc/04/63/69/1167046369.db2.gz RNGNCBADURSKEJ-BDAKNGLRSA-N -1 1 316.369 0.309 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C(N)=O)CC[C@H]2C)n1 ZINC001590905139 1167046375 /nfs/dbraw/zinc/04/63/75/1167046375.db2.gz RNGNCBADURSKEJ-BDAKNGLRSA-N -1 1 316.369 0.309 20 0 DCADMM CCc1nc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)co1 ZINC001590909899 1167049136 /nfs/dbraw/zinc/04/91/36/1167049136.db2.gz AQARRNWMWHOCEP-UHFFFAOYSA-N -1 1 302.298 0.711 20 0 DCADMM CCc1nc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)co1 ZINC001590909899 1167049140 /nfs/dbraw/zinc/04/91/40/1167049140.db2.gz AQARRNWMWHOCEP-UHFFFAOYSA-N -1 1 302.298 0.711 20 0 DCADMM CCc1nc(NCCc2nnc(C)n2C)cc(-c2nnn[n-]2)n1 ZINC001590922382 1167052216 /nfs/dbraw/zinc/05/22/16/1167052216.db2.gz 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1167061867 /nfs/dbraw/zinc/06/18/67/1167061867.db2.gz DKONGUQEXXBCJP-UHFFFAOYSA-N -1 1 300.326 0.305 20 0 DCADMM CN(C)C(=O)COC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001591001296 1167071171 /nfs/dbraw/zinc/07/11/71/1167071171.db2.gz XSTMIJNJQXVTCU-UHFFFAOYSA-N -1 1 322.394 0.217 20 0 DCADMM CN(CC(C)(CO)CO)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591044145 1167093557 /nfs/dbraw/zinc/09/35/57/1167093557.db2.gz HLJSEPWFZGWPRI-UHFFFAOYSA-N -1 1 318.790 0.404 20 0 DCADMM CN(CCCNC(=O)C1CCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001591069682 1167101695 /nfs/dbraw/zinc/10/16/95/1167101695.db2.gz MJKYRVSLXWYPCM-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCCNC(=O)C(C)(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC001591070078 1167101707 /nfs/dbraw/zinc/10/17/07/1167101707.db2.gz RAFAHQWLJZVWJU-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CN(CCCNC(=O)C(C)(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC001591070078 1167101710 /nfs/dbraw/zinc/10/17/10/1167101710.db2.gz RAFAHQWLJZVWJU-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM 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ILUXPQBUNQEWNT-HFSLJOEWSA-N -1 1 302.294 0.109 20 0 DCADMM COC(=O)CC(C)(C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591256961 1167181812 /nfs/dbraw/zinc/18/18/12/1167181812.db2.gz GRILQSZCQRYYAS-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM COC(=O)CC(C)(C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591256961 1167181816 /nfs/dbraw/zinc/18/18/16/1167181816.db2.gz GRILQSZCQRYYAS-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM COC(=O)CCCCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001591262732 1167186444 /nfs/dbraw/zinc/18/64/44/1167186444.db2.gz DGJRGXOYXNBVGS-UHFFFAOYSA-N -1 1 318.337 0.611 20 0 DCADMM COC(=O)CCCCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001591262732 1167186445 /nfs/dbraw/zinc/18/64/45/1167186445.db2.gz DGJRGXOYXNBVGS-UHFFFAOYSA-N -1 1 318.337 0.611 20 0 DCADMM COC(=O)N(C)CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591271804 1167190364 /nfs/dbraw/zinc/19/03/64/1167190364.db2.gz ZFMUBVXJQUIVSR-UHFFFAOYSA-N -1 1 318.341 0.644 20 0 DCADMM COC(=O)N(C)CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591271804 1167190366 /nfs/dbraw/zinc/19/03/66/1167190366.db2.gz ZFMUBVXJQUIVSR-UHFFFAOYSA-N -1 1 318.341 0.644 20 0 DCADMM COC(=O)c1ccc(N[C@@H](C)C[C@H](C)O)c(-c2nnn[n-]2)n1 ZINC001591295228 1167202640 /nfs/dbraw/zinc/20/26/40/1167202640.db2.gz CKZSQMKKCNTUKO-YUMQZZPRSA-N -1 1 306.326 0.620 20 0 DCADMM COC(=O)c1ccc(N[C@@H](C)C[C@H](C)O)c(-c2nn[n-]n2)n1 ZINC001591295228 1167202644 /nfs/dbraw/zinc/20/26/44/1167202644.db2.gz CKZSQMKKCNTUKO-YUMQZZPRSA-N -1 1 306.326 0.620 20 0 DCADMM CO[C@](C)(CO)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001591319155 1167208603 /nfs/dbraw/zinc/20/86/03/1167208603.db2.gz WOMIEXSGMKKKHF-VIFPVBQESA-N -1 1 304.763 0.786 20 0 DCADMM CO[C@H](Cc1ccccc1)Cn1cncc(-c2nn[n-]n2)c1=O ZINC001591334164 1167220640 /nfs/dbraw/zinc/22/06/40/1167220640.db2.gz RCWHUWMZRVOYOI-GFCCVEGCSA-N -1 1 312.333 0.681 20 0 DCADMM CO[C@@H](Cc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001591335283 1167220689 /nfs/dbraw/zinc/22/06/89/1167220689.db2.gz ZQVONVDZVRDSDX-NSHDSACASA-N -1 1 313.321 0.543 20 0 DCADMM CO[C@@]1(C)CCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591338496 1167222494 /nfs/dbraw/zinc/22/24/94/1167222494.db2.gz KLNWJMXPGSQIQO-AWEZNQCLSA-N -1 1 302.338 0.903 20 0 DCADMM CO[C@@]1(C)CCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591338496 1167222498 /nfs/dbraw/zinc/22/24/98/1167222498.db2.gz KLNWJMXPGSQIQO-AWEZNQCLSA-N -1 1 302.338 0.903 20 0 DCADMM CO[C@H]1CC[C@H]1N(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591355113 1167231344 /nfs/dbraw/zinc/23/13/44/1167231344.db2.gz SDKLXBFJEPYUEF-BDAKNGLRSA-N -1 1 323.382 0.642 20 0 DCADMM CO[C@H]1CC[C@H]1N(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591355113 1167231351 /nfs/dbraw/zinc/23/13/51/1167231351.db2.gz SDKLXBFJEPYUEF-BDAKNGLRSA-N -1 1 323.382 0.642 20 0 DCADMM CO[C@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001591354356 1167231838 /nfs/dbraw/zinc/23/18/38/1167231838.db2.gz LXTXKBMTJCBGJE-ZJUUUORDSA-N -1 1 320.357 0.047 20 0 DCADMM CO[C@H]1COCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591360408 1167234526 /nfs/dbraw/zinc/23/45/26/1167234526.db2.gz HYSANGVQMKMACJ-IUCAKERBSA-N -1 1 323.378 0.710 20 0 DCADMM CO[C@H]1COCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591360408 1167234532 /nfs/dbraw/zinc/23/45/32/1167234532.db2.gz HYSANGVQMKMACJ-IUCAKERBSA-N -1 1 323.378 0.710 20 0 DCADMM COC[C@@H](C)CCOC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591374908 1167244867 /nfs/dbraw/zinc/24/48/67/1167244867.db2.gz ZJTXONUZAKOKCJ-IUCAKERBSA-N -1 1 309.330 0.235 20 0 DCADMM COCC1CC(OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591393084 1167262030 /nfs/dbraw/zinc/26/20/30/1167262030.db2.gz XGLUQAVDIGVUQX-UHFFFAOYSA-N -1 1 303.322 0.772 20 0 DCADMM COCC1CC(OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591393084 1167262037 /nfs/dbraw/zinc/26/20/37/1167262037.db2.gz XGLUQAVDIGVUQX-UHFFFAOYSA-N -1 1 303.322 0.772 20 0 DCADMM COCCCNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001591415872 1167275908 /nfs/dbraw/zinc/27/59/08/1167275908.db2.gz BYSJVQONYUHCFC-UHFFFAOYSA-N -1 1 317.396 0.384 20 0 DCADMM COCCN(CCF)Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC001591424056 1167278865 /nfs/dbraw/zinc/27/88/65/1167278865.db2.gz FLDMKPKNMPSOIY-UHFFFAOYSA-N -1 1 320.332 0.327 20 0 DCADMM COCCN(CCF)Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC001591424056 1167278871 /nfs/dbraw/zinc/27/88/71/1167278871.db2.gz FLDMKPKNMPSOIY-UHFFFAOYSA-N -1 1 320.332 0.327 20 0 DCADMM COCCN1CCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)CC1 ZINC001591429714 1167280241 /nfs/dbraw/zinc/28/02/41/1167280241.db2.gz CCIZJHCSYOSSMI-UHFFFAOYSA-N -1 1 320.353 0.172 20 0 DCADMM COCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)CC1 ZINC001591429714 1167280243 /nfs/dbraw/zinc/28/02/43/1167280243.db2.gz CCIZJHCSYOSSMI-UHFFFAOYSA-N -1 1 320.353 0.172 20 0 DCADMM COCCSCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591447184 1167288529 /nfs/dbraw/zinc/28/85/29/1167288529.db2.gz HPVVZXFJGIBKDF-UHFFFAOYSA-N -1 1 309.351 0.798 20 0 DCADMM COCCSCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591447184 1167288536 /nfs/dbraw/zinc/28/85/36/1167288536.db2.gz HPVVZXFJGIBKDF-UHFFFAOYSA-N -1 1 309.351 0.798 20 0 DCADMM COCCOCCOCCn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001591440217 1167288591 /nfs/dbraw/zinc/28/85/91/1167288591.db2.gz LXMNJUROXNIIOO-UHFFFAOYSA-N -1 1 310.358 0.360 20 0 DCADMM COCCOCCOCCn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001591440217 1167288598 /nfs/dbraw/zinc/28/85/98/1167288598.db2.gz LXMNJUROXNIIOO-UHFFFAOYSA-N -1 1 310.358 0.360 20 0 DCADMM COCCc1noc(COc2cccnc2-c2nnn[n-]2)n1 ZINC001591449831 1167290415 /nfs/dbraw/zinc/29/04/15/1167290415.db2.gz WAYOSKWZXMSLPD-UHFFFAOYSA-N -1 1 303.282 0.413 20 0 DCADMM COCCc1noc(COc2cccnc2-c2nn[n-]n2)n1 ZINC001591449831 1167290420 /nfs/dbraw/zinc/29/04/20/1167290420.db2.gz WAYOSKWZXMSLPD-UHFFFAOYSA-N -1 1 303.282 0.413 20 0 DCADMM COC[C@@H]1C[C@@H](O)CN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591452702 1167292188 /nfs/dbraw/zinc/29/21/88/1167292188.db2.gz NUIFWCSGBXELAP-NTSWFWBYSA-N -1 1 316.774 0.563 20 0 DCADMM COCc1nc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)cs1 ZINC001591459422 1167294209 /nfs/dbraw/zinc/29/42/09/1167294209.db2.gz HXSKDXDSGYMHDA-UHFFFAOYSA-N -1 1 318.362 0.988 20 0 DCADMM COCc1ncsc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591460588 1167295199 /nfs/dbraw/zinc/29/51/99/1167295199.db2.gz CXDGAGXQGPKWIR-UHFFFAOYSA-N -1 1 320.338 0.455 20 0 DCADMM COCc1ncsc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591460588 1167295204 /nfs/dbraw/zinc/29/52/04/1167295204.db2.gz CXDGAGXQGPKWIR-UHFFFAOYSA-N -1 1 320.338 0.455 20 0 DCADMM CON(C)C(=O)C[N@H+](C)CCc1cccc(-c2nn[nH]n2)c1 ZINC001591463000 1167295214 /nfs/dbraw/zinc/29/52/14/1167295214.db2.gz QCGADNRQLGLIKK-UHFFFAOYSA-N -1 1 304.354 0.361 20 0 DCADMM COCc1nccc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001591460853 1167296331 /nfs/dbraw/zinc/29/63/31/1167296331.db2.gz SSDRVQUTIGRFJI-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM COCc1nccc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001591460853 1167296335 /nfs/dbraw/zinc/29/63/35/1167296335.db2.gz SSDRVQUTIGRFJI-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM CON(C)C(=O)[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591465958 1167299215 /nfs/dbraw/zinc/29/92/15/1167299215.db2.gz OIAIKEBHHFREEQ-ZETCQYMHSA-N -1 1 318.341 0.354 20 0 DCADMM CON(C)C(=O)[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591465958 1167299219 /nfs/dbraw/zinc/29/92/19/1167299219.db2.gz OIAIKEBHHFREEQ-ZETCQYMHSA-N -1 1 318.341 0.354 20 0 DCADMM CO[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001591473583 1167303378 /nfs/dbraw/zinc/30/33/78/1167303378.db2.gz MWFPEVZOMMDAPI-SKDRFNHKSA-N -1 1 308.367 0.905 20 0 DCADMM CO[C@H]1C[C@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001591475191 1167306904 /nfs/dbraw/zinc/30/69/04/1167306904.db2.gz VJIAGPIOHJAZQM-ZKCHVHJHSA-N -1 1 306.330 0.147 20 0 DCADMM CO[C@H]1C[C@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001591475191 1167306910 /nfs/dbraw/zinc/30/69/10/1167306910.db2.gz VJIAGPIOHJAZQM-ZKCHVHJHSA-N -1 1 306.330 0.147 20 0 DCADMM COc1cc(CN(C)c2ccc(-c3nnn[n-]3)nn2)sn1 ZINC001591526416 1167321296 /nfs/dbraw/zinc/32/12/96/1167321296.db2.gz SHDPRRPVYJHOBU-UHFFFAOYSA-N -1 1 304.339 0.758 20 0 DCADMM COc1cc(CN(C)c2ccc(-c3nn[n-]n3)nn2)sn1 ZINC001591526416 1167321302 /nfs/dbraw/zinc/32/13/02/1167321302.db2.gz SHDPRRPVYJHOBU-UHFFFAOYSA-N -1 1 304.339 0.758 20 0 DCADMM COc1ccccc1NC(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001591650899 1167340712 /nfs/dbraw/zinc/34/07/12/1167340712.db2.gz MLPJUGZWPXDMPE-UHFFFAOYSA-N -1 1 300.282 0.106 20 0 DCADMM COc1ncc(NC(=O)[C@@H]2CO[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001591663580 1167343240 /nfs/dbraw/zinc/34/32/40/1167343240.db2.gz CELNHQBNUQOYNN-YUMQZZPRSA-N -1 1 304.310 0.634 20 0 DCADMM COc1ncc(NC(=O)N(CCO)C2CC2)cc1-c1nn[n-]n1 ZINC001591664486 1167344565 /nfs/dbraw/zinc/34/45/65/1167344565.db2.gz KGWBTMFKKYOWQX-UHFFFAOYSA-N -1 1 319.325 0.259 20 0 DCADMM COc1nn(C)cc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591670151 1167346162 /nfs/dbraw/zinc/34/61/62/1167346162.db2.gz USKLTIFMCBATOW-UHFFFAOYSA-N -1 1 319.350 0.600 20 0 DCADMM COc1nn(C)cc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591670151 1167346164 /nfs/dbraw/zinc/34/61/64/1167346164.db2.gz USKLTIFMCBATOW-UHFFFAOYSA-N -1 1 319.350 0.600 20 0 DCADMM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591672625 1167348310 /nfs/dbraw/zinc/34/83/10/1167348310.db2.gz BDAKOKHRAAPTRD-KOLCDFICSA-N -1 1 322.394 0.451 20 0 DCADMM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591672625 1167348316 /nfs/dbraw/zinc/34/83/16/1167348316.db2.gz BDAKOKHRAAPTRD-KOLCDFICSA-N -1 1 322.394 0.451 20 0 DCADMM CS(=O)(=O)C[C@@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001591672674 1167348455 /nfs/dbraw/zinc/34/84/55/1167348455.db2.gz AJQCJSSJSDXDOU-JTQLQIEISA-N -1 1 322.394 0.665 20 0 DCADMM CS(=O)(=O)C[C@@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001591672674 1167348460 /nfs/dbraw/zinc/34/84/60/1167348460.db2.gz AJQCJSSJSDXDOU-JTQLQIEISA-N -1 1 322.394 0.665 20 0 DCADMM C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591683130 1167351518 /nfs/dbraw/zinc/35/15/18/1167351518.db2.gz TYOXOVCAFSQRLX-JYFUKTADSA-N -1 1 309.351 0.489 20 0 DCADMM C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591683130 1167351525 /nfs/dbraw/zinc/35/15/25/1167351525.db2.gz TYOXOVCAFSQRLX-JYFUKTADSA-N -1 1 309.351 0.489 20 0 DCADMM CS[C@H](C)[C@@H](C)OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591687696 1167353689 /nfs/dbraw/zinc/35/36/89/1167353689.db2.gz QLUSLXNVBQXECS-XLPZGREQSA-N -1 1 311.371 0.702 20 0 DCADMM CSC[C@@](C)(O)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591693999 1167356869 /nfs/dbraw/zinc/35/68/69/1167356869.db2.gz DWFWXUCPMIVIME-LBPRGKRZSA-N -1 1 308.367 0.106 20 0 DCADMM CSC[C@@](C)(O)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591693999 1167356876 /nfs/dbraw/zinc/35/68/76/1167356876.db2.gz DWFWXUCPMIVIME-LBPRGKRZSA-N -1 1 308.367 0.106 20 0 DCADMM C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(=O)N(C)C ZINC001591731765 1167363578 /nfs/dbraw/zinc/36/35/78/1167363578.db2.gz NUMQWUNGXCHAJH-SCSAIBSYSA-N -1 1 301.763 0.865 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001591774894 1167374108 /nfs/dbraw/zinc/37/41/08/1167374108.db2.gz XBSFDNAUKOJPCH-IUCAKERBSA-N -1 1 302.342 0.183 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001591774894 1167374112 /nfs/dbraw/zinc/37/41/12/1167374112.db2.gz XBSFDNAUKOJPCH-IUCAKERBSA-N -1 1 302.342 0.183 20 0 DCADMM C[C@H]1C(=O)NCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001591780805 1167377023 /nfs/dbraw/zinc/37/70/23/1167377023.db2.gz WDSLKNZRVYBGQP-YFKPBYRVSA-N -1 1 313.774 0.691 20 0 DCADMM C[C@H]1C(=O)NCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001591780805 1167377026 /nfs/dbraw/zinc/37/70/26/1167377026.db2.gz WDSLKNZRVYBGQP-YFKPBYRVSA-N -1 1 313.774 0.691 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@H]2C[C@H]3C=C[C@@H]2C3)c(=O)n1C ZINC001591794085 1167381086 /nfs/dbraw/zinc/38/10/86/1167381086.db2.gz YALMUTKHIAHBNW-HBNTYKKESA-N -1 1 314.349 0.248 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CN2CCSC2=O)nn1C ZINC001591797167 1167381994 /nfs/dbraw/zinc/38/19/94/1167381994.db2.gz SRZAMQJJACXPAH-UHFFFAOYSA-N -1 1 322.354 0.016 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CN2CCSC2=O)nn1C ZINC001591797167 1167381997 /nfs/dbraw/zinc/38/19/97/1167381997.db2.gz SRZAMQJJACXPAH-UHFFFAOYSA-N -1 1 322.354 0.016 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCOC[C@H]2C)nn1C ZINC001591797713 1167383791 /nfs/dbraw/zinc/38/37/91/1167383791.db2.gz AOHBKZNHZYIFSO-VXNVDRBHSA-N -1 1 305.342 0.520 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCOC[C@H]2C)nn1C ZINC001591797713 1167383793 /nfs/dbraw/zinc/38/37/93/1167383793.db2.gz AOHBKZNHZYIFSO-VXNVDRBHSA-N -1 1 305.342 0.520 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](CCO)C1CC1 ZINC001591834945 1167390680 /nfs/dbraw/zinc/39/06/80/1167390680.db2.gz ZFCKHEVIOJTISI-SNVBAGLBSA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C3OCCO3)C2)c1 ZINC001591885849 1167411177 /nfs/dbraw/zinc/41/11/77/1167411177.db2.gz YPAWTZYKGDUJBE-SNVBAGLBSA-N -1 1 302.338 0.769 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C3OCCO3)C2)c1 ZINC001591885849 1167411179 /nfs/dbraw/zinc/41/11/79/1167411179.db2.gz YPAWTZYKGDUJBE-SNVBAGLBSA-N -1 1 302.338 0.769 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H](C(=O)C3CC3)C2)n1 ZINC001591889178 1167411895 /nfs/dbraw/zinc/41/18/95/1167411895.db2.gz ZOAXXMHDJMWKGE-NSHDSACASA-N -1 1 315.337 0.149 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H](C(=O)C3CC3)C2)n1 ZINC001591889178 1167411899 /nfs/dbraw/zinc/41/18/99/1167411899.db2.gz ZOAXXMHDJMWKGE-NSHDSACASA-N -1 1 315.337 0.149 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)c2ccccc2)n1 ZINC001591899945 1167415675 /nfs/dbraw/zinc/41/56/75/1167415675.db2.gz FJOICOBAFDATFS-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)c2ccccc2)n1 ZINC001591899945 1167415679 /nfs/dbraw/zinc/41/56/79/1167415679.db2.gz FJOICOBAFDATFS-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1cc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)nn1C ZINC001591961760 1167425330 /nfs/dbraw/zinc/42/53/30/1167425330.db2.gz REELOOLFRLCZNW-UHFFFAOYSA-N -1 1 312.337 0.276 20 0 DCADMM Cc1cc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)nn1C ZINC001591961760 1167425335 /nfs/dbraw/zinc/42/53/35/1167425335.db2.gz REELOOLFRLCZNW-UHFFFAOYSA-N -1 1 312.337 0.276 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C)nc(=O)[nH]1 ZINC001592029430 1167438829 /nfs/dbraw/zinc/43/88/29/1167438829.db2.gz PWESPPZEYRJALW-UHFFFAOYSA-N -1 1 301.266 0.824 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C)nc(=O)[nH]1 ZINC001592029430 1167438818 /nfs/dbraw/zinc/43/88/18/1167438818.db2.gz PWESPPZEYRJALW-UHFFFAOYSA-N -1 1 301.266 0.824 20 0 DCADMM Cc1cc(NC[C@@]2(C(=O)[O-])CCCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592041334 1167443414 /nfs/dbraw/zinc/44/34/14/1167443414.db2.gz DUBZQKOORHUQQZ-AWEZNQCLSA-N -1 1 318.337 0.285 20 0 DCADMM Cc1cc(NC[C@@H]2CCCCS2(=O)=O)cc(-c2nnn[n-]2)n1 ZINC001592044779 1167443571 /nfs/dbraw/zinc/44/35/71/1167443571.db2.gz XZDHZMADFCNMMZ-NSHDSACASA-N -1 1 322.394 0.949 20 0 DCADMM Cc1cc(NC[C@@H]2CCCCS2(=O)=O)cc(-c2nn[n-]n2)n1 ZINC001592044779 1167443576 /nfs/dbraw/zinc/44/35/76/1167443576.db2.gz XZDHZMADFCNMMZ-NSHDSACASA-N -1 1 322.394 0.949 20 0 DCADMM Cc1cc(NC[C@@H](CO)[C@@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592042025 1167444483 /nfs/dbraw/zinc/44/44/83/1167444483.db2.gz SNCYCHABCYVKJE-MNOVXSKESA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(NC[C@@H](CO)[C@@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592042025 1167444499 /nfs/dbraw/zinc/44/44/99/1167444499.db2.gz SNCYCHABCYVKJE-MNOVXSKESA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(N2CCC(CC(N)=O)CC2)nc1-c1nnn[n-]1 ZINC001592175401 1167467903 /nfs/dbraw/zinc/46/79/03/1167467903.db2.gz SCACHPYHDLLJDV-UHFFFAOYSA-N -1 1 301.354 0.662 20 0 DCADMM Cc1ccc(N2CCC(CC(N)=O)CC2)nc1-c1nn[n-]n1 ZINC001592175401 1167467908 /nfs/dbraw/zinc/46/79/08/1167467908.db2.gz SCACHPYHDLLJDV-UHFFFAOYSA-N -1 1 301.354 0.662 20 0 DCADMM Cc1ccc(N2CCN([S@](C)(=N)=O)CC2)nc1-c1nnn[n-]1 ZINC001592176184 1167470329 /nfs/dbraw/zinc/47/03/29/1167470329.db2.gz QEJLZQQDDNENJZ-QFIPXVFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1ccc(N2CCN([S@](C)(=N)=O)CC2)nc1-c1nn[n-]n1 ZINC001592176184 1167470330 /nfs/dbraw/zinc/47/03/30/1167470330.db2.gz QEJLZQQDDNENJZ-QFIPXVFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1ccccc1-c1noc(Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC001592248418 1167477774 /nfs/dbraw/zinc/47/77/74/1167477774.db2.gz PAYKVHHNYRUSBG-UHFFFAOYSA-N -1 1 309.293 0.865 20 0 DCADMM Cc1ccccc1CN(C)C(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001592256923 1167478146 /nfs/dbraw/zinc/47/81/46/1167478146.db2.gz ZMYPCBBZQMVUGP-UHFFFAOYSA-N -1 1 312.337 0.425 20 0 DCADMM Cc1cccc(F)c1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001592232874 1167478998 /nfs/dbraw/zinc/47/89/98/1167478998.db2.gz QLMPZFUMLSWVKL-UHFFFAOYSA-N -1 1 302.273 0.544 20 0 DCADMM Cc1cnn(CCOC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001592304554 1167487074 /nfs/dbraw/zinc/48/70/74/1167487074.db2.gz VUNZGJXBOFDBCH-UHFFFAOYSA-N -1 1 313.321 0.553 20 0 DCADMM Cc1cnn(CCOC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001592304554 1167487079 /nfs/dbraw/zinc/48/70/79/1167487079.db2.gz VUNZGJXBOFDBCH-UHFFFAOYSA-N -1 1 313.321 0.553 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2CC23CCOCC3)c1-c1nn[n-]n1 ZINC001592328006 1167489777 /nfs/dbraw/zinc/48/97/77/1167489777.db2.gz OPNSZVZTGXVLBY-MRVPVSSYSA-N -1 1 303.326 0.653 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCCC[C@H]2O)n1 ZINC001592338576 1167492716 /nfs/dbraw/zinc/49/27/16/1167492716.db2.gz IELYZCKODZVBRN-ZYHUDNBSSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCCC[C@H]2O)n1 ZINC001592338576 1167492718 /nfs/dbraw/zinc/49/27/18/1167492718.db2.gz IELYZCKODZVBRN-ZYHUDNBSSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(CCC(=O)Nc2c[nH]nc2-c2nn[n-]n2)cs1 ZINC001592359221 1167504513 /nfs/dbraw/zinc/50/45/13/1167504513.db2.gz WOYHUGPLAOSXNC-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nc(COC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)no1 ZINC001592364092 1167505597 /nfs/dbraw/zinc/50/55/97/1167505597.db2.gz JDRYOSJYFSQFNJ-UHFFFAOYSA-N -1 1 321.684 0.964 20 0 DCADMM Cc1nc(NC2CN(c3ccncn3)C2)cc(-c2nnn[n-]2)n1 ZINC001592384556 1167509633 /nfs/dbraw/zinc/50/96/33/1167509633.db2.gz UQNUMYNAVKNAPU-UHFFFAOYSA-N -1 1 310.325 0.056 20 0 DCADMM Cc1nc(NC2CN(c3ccncn3)C2)cc(-c2nn[n-]n2)n1 ZINC001592384556 1167509639 /nfs/dbraw/zinc/50/96/39/1167509639.db2.gz UQNUMYNAVKNAPU-UHFFFAOYSA-N -1 1 310.325 0.056 20 0 DCADMM Cc1ncc(CC(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)o1 ZINC001592411123 1167514337 /nfs/dbraw/zinc/51/43/37/1167514337.db2.gz SICUVYQUECKJLR-UHFFFAOYSA-N -1 1 302.298 0.386 20 0 DCADMM Cc1ncc(CC(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)o1 ZINC001592411123 1167514343 /nfs/dbraw/zinc/51/43/43/1167514343.db2.gz SICUVYQUECKJLR-UHFFFAOYSA-N -1 1 302.298 0.386 20 0 DCADMM Cc1nn(Cc2ncc(Cl)n2C)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437850 1167523199 /nfs/dbraw/zinc/52/31/99/1167523199.db2.gz LOAWSWLGNUGSHM-UHFFFAOYSA-N -1 1 320.744 0.475 20 0 DCADMM Cc1nnc([C@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)o1 ZINC001592440786 1167524286 /nfs/dbraw/zinc/52/42/86/1167524286.db2.gz MCHBDFUQFFOEKL-ZETCQYMHSA-N -1 1 315.293 0.800 20 0 DCADMM Cc1nnc([C@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)o1 ZINC001592440786 1167524292 /nfs/dbraw/zinc/52/42/92/1167524292.db2.gz MCHBDFUQFFOEKL-ZETCQYMHSA-N -1 1 315.293 0.800 20 0 DCADMM Cc1nnc([C@@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)o1 ZINC001592440785 1167524986 /nfs/dbraw/zinc/52/49/86/1167524986.db2.gz MCHBDFUQFFOEKL-SSDOTTSWSA-N -1 1 315.293 0.800 20 0 DCADMM Cc1nnc([C@@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)o1 ZINC001592440785 1167524990 /nfs/dbraw/zinc/52/49/90/1167524990.db2.gz MCHBDFUQFFOEKL-SSDOTTSWSA-N -1 1 315.293 0.800 20 0 DCADMM Cc1nsc(N2CC(=O)N(CC3CC3)C2)c1-c1nn[n-]n1 ZINC001592472268 1167532864 /nfs/dbraw/zinc/53/28/64/1167532864.db2.gz YDWJONNLTVVIBC-UHFFFAOYSA-N -1 1 305.367 0.648 20 0 DCADMM Cc1noc(CCCNC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001592462522 1167533216 /nfs/dbraw/zinc/53/32/16/1167533216.db2.gz IRDBIOCVJBPPHU-UHFFFAOYSA-N -1 1 319.350 0.982 20 0 DCADMM Cc1noc(CCCNC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001592462522 1167533220 /nfs/dbraw/zinc/53/32/20/1167533220.db2.gz IRDBIOCVJBPPHU-UHFFFAOYSA-N -1 1 319.350 0.982 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](CO)[C@@H]2C)c1-c1nnn[n-]1 ZINC001592479945 1167533958 /nfs/dbraw/zinc/53/39/58/1167533958.db2.gz RNPJBYLXXFCZSI-JGVFFNPUSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](CO)[C@@H]2C)c1-c1nn[n-]n1 ZINC001592479945 1167533965 /nfs/dbraw/zinc/53/39/65/1167533965.db2.gz RNPJBYLXXFCZSI-JGVFFNPUSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(N2CCCC3(C2)OCCO3)c1-c1nn[n-]n1 ZINC001592474693 1167534547 /nfs/dbraw/zinc/53/45/47/1167534547.db2.gz VJYOSDABCIQTQN-UHFFFAOYSA-N -1 1 308.367 0.975 20 0 DCADMM Cc1nsc(NC2CC[NH+](CC(=O)[O-])CC2)c1-c1nn[n-]n1 ZINC001592486968 1167537532 /nfs/dbraw/zinc/53/75/32/1167537532.db2.gz WMEVNHHFLNESMW-UHFFFAOYSA-N -1 1 323.382 0.593 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1nnc(C2CC2)o1 ZINC001592501848 1167541285 /nfs/dbraw/zinc/54/12/85/1167541285.db2.gz TUKKBMAFDDUCHF-UHFFFAOYSA-N -1 1 315.293 0.959 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1nnc(C2CC2)o1 ZINC001592501848 1167541289 /nfs/dbraw/zinc/54/12/89/1167541289.db2.gz TUKKBMAFDDUCHF-UHFFFAOYSA-N -1 1 315.293 0.959 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H]1CCN(C2CC2)C1=O ZINC001592502919 1167541512 /nfs/dbraw/zinc/54/15/12/1167541512.db2.gz YELBKDDYJHRCAM-JTQLQIEISA-N -1 1 317.305 0.688 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H]1CCN(C2CC2)C1=O ZINC001592502919 1167541516 /nfs/dbraw/zinc/54/15/16/1167541516.db2.gz YELBKDDYJHRCAM-JTQLQIEISA-N -1 1 317.305 0.688 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1nnnn1C1CC1 ZINC001592503173 1167541530 /nfs/dbraw/zinc/54/15/30/1167541530.db2.gz CTEINVYPOAUINW-UHFFFAOYSA-N -1 1 316.281 0.447 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1nnnn1C1CC1 ZINC001592503173 1167541537 /nfs/dbraw/zinc/54/15/37/1167541537.db2.gz CTEINVYPOAUINW-UHFFFAOYSA-N -1 1 316.281 0.447 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCNC(=O)C[C@H]1C ZINC001592500361 1167541705 /nfs/dbraw/zinc/54/17/05/1167541705.db2.gz WMLZVWCYOAGUGG-SSDOTTSWSA-N -1 1 304.310 0.119 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCNC(=O)C[C@H]1C ZINC001592500361 1167541711 /nfs/dbraw/zinc/54/17/11/1167541711.db2.gz WMLZVWCYOAGUGG-SSDOTTSWSA-N -1 1 304.310 0.119 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCOC[C@H]1CCOC1 ZINC001592502106 1167541842 /nfs/dbraw/zinc/54/18/42/1167541842.db2.gz XBKTVLMWLQTPAL-JTQLQIEISA-N -1 1 321.337 0.551 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCOC[C@H]1CCOC1 ZINC001592502106 1167541848 /nfs/dbraw/zinc/54/18/48/1167541848.db2.gz XBKTVLMWLQTPAL-JTQLQIEISA-N -1 1 321.337 0.551 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)N(C)C1CC1 ZINC001592502353 1167542159 /nfs/dbraw/zinc/54/21/59/1167542159.db2.gz RVQPCHTWNODZBG-UHFFFAOYSA-N -1 1 305.294 0.546 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)N(C)C1CC1 ZINC001592502353 1167542167 /nfs/dbraw/zinc/54/21/67/1167542167.db2.gz RVQPCHTWNODZBG-UHFFFAOYSA-N -1 1 305.294 0.546 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2COC3(CCC3)C2)c1-c1nnn[n-]1 ZINC001592517604 1167547671 /nfs/dbraw/zinc/54/76/71/1167547671.db2.gz NOPHCPSKMAEMMG-SECBINFHSA-N -1 1 318.337 0.533 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2COC3(CCC3)C2)c1-c1nn[n-]n1 ZINC001592517604 1167547678 /nfs/dbraw/zinc/54/76/78/1167547678.db2.gz NOPHCPSKMAEMMG-SECBINFHSA-N -1 1 318.337 0.533 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](O)CC[C@H]2C)c1-c1nnn[n-]1 ZINC001592515721 1167548243 /nfs/dbraw/zinc/54/82/43/1167548243.db2.gz LKQUHIVFCSHDRX-APPZFPTMSA-N -1 1 306.326 0.077 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](O)CC[C@H]2C)c1-c1nn[n-]n1 ZINC001592515721 1167548247 /nfs/dbraw/zinc/54/82/47/1167548247.db2.gz LKQUHIVFCSHDRX-APPZFPTMSA-N -1 1 306.326 0.077 20 0 DCADMM Clc1ccc(N2CC[C@@H](n3cncn3)C2)nc1-c1nnn[n-]1 ZINC001592532339 1167550911 /nfs/dbraw/zinc/55/09/11/1167550911.db2.gz MCBOVXGTULSMAM-MRVPVSSYSA-N -1 1 317.744 0.958 20 0 DCADMM Clc1ccc(N2CC[C@@H](n3cncn3)C2)nc1-c1nn[n-]n1 ZINC001592532339 1167550917 /nfs/dbraw/zinc/55/09/17/1167550917.db2.gz MCBOVXGTULSMAM-MRVPVSSYSA-N -1 1 317.744 0.958 20 0 DCADMM Cn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CCC(F)CC1 ZINC001592542049 1167551379 /nfs/dbraw/zinc/55/13/79/1167551379.db2.gz BGJNBIAVDSFVKG-UHFFFAOYSA-N -1 1 318.320 0.324 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n([C@@H]2CCCC(C)(C)C2=O)c1=O ZINC001592558216 1167559297 /nfs/dbraw/zinc/55/92/97/1167559297.db2.gz VLWPCLPICZPZBC-SECBINFHSA-N -1 1 318.337 0.047 20 0 DCADMM Cn1cnc(CCCNC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001592587586 1167573250 /nfs/dbraw/zinc/57/32/50/1167573250.db2.gz WZXJPDWQMYVDEF-UHFFFAOYSA-N -1 1 318.366 0.419 20 0 DCADMM Cn1cncc1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592589627 1167574249 /nfs/dbraw/zinc/57/42/49/1167574249.db2.gz KYKRPDOJNQFRFR-UHFFFAOYSA-N -1 1 310.730 0.962 20 0 DCADMM Cn1nc2c(c1N)CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC001592597051 1167576231 /nfs/dbraw/zinc/57/62/31/1167576231.db2.gz SDTHTMVBUYHPRB-UHFFFAOYSA-N -1 1 317.744 0.751 20 0 DCADMM Cn1nc2c(c1N)CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC001592597051 1167576235 /nfs/dbraw/zinc/57/62/35/1167576235.db2.gz SDTHTMVBUYHPRB-UHFFFAOYSA-N -1 1 317.744 0.751 20 0 DCADMM Cn1nnnc1C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001592613159 1167585266 /nfs/dbraw/zinc/58/52/66/1167585266.db2.gz NISMYLUJBGQGEN-UHFFFAOYSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1nnnc1C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001592613159 1167585269 /nfs/dbraw/zinc/58/52/69/1167585269.db2.gz NISMYLUJBGQGEN-UHFFFAOYSA-N -1 1 312.341 0.169 20 0 DCADMM FC(F)(F)C(F)(F)COCCn1cnc(-c2nn[n-]n2)n1 ZINC001592613185 1167585294 /nfs/dbraw/zinc/58/52/94/1167585294.db2.gz AQHOILYSILGNLS-UHFFFAOYSA-N -1 1 313.190 0.672 20 0 DCADMM Fc1ccc2c(c1)C[C@@H]1[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]21 ZINC001592653028 1167590173 /nfs/dbraw/zinc/59/01/73/1167590173.db2.gz GFEDWYOXJBMAMH-CYZMBNFOSA-N -1 1 309.308 0.968 20 0 DCADMM NC(=O)[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccc(F)cc1 ZINC001592714873 1167610111 /nfs/dbraw/zinc/61/01/11/1167610111.db2.gz CEAIWOZZDKVZHE-NSHDSACASA-N -1 1 314.284 0.434 20 0 DCADMM NC(=O)[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccc(F)cc1 ZINC001592714873 1167610113 /nfs/dbraw/zinc/61/01/13/1167610113.db2.gz CEAIWOZZDKVZHE-NSHDSACASA-N -1 1 314.284 0.434 20 0 DCADMM NC(=O)CCCCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592727274 1167618851 /nfs/dbraw/zinc/61/88/51/1167618851.db2.gz QAJILJRWAYMFLJ-UHFFFAOYSA-N -1 1 306.301 0.391 20 0 DCADMM NC(=O)CCCCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592727274 1167618855 /nfs/dbraw/zinc/61/88/55/1167618855.db2.gz QAJILJRWAYMFLJ-UHFFFAOYSA-N -1 1 306.301 0.391 20 0 DCADMM NC(=O)c1cc(NC(=O)c2ccsc2-c2nnn[n-]2)c[nH]1 ZINC001592735122 1167621793 /nfs/dbraw/zinc/62/17/93/1167621793.db2.gz FFAMNZRAUMSCFM-UHFFFAOYSA-N -1 1 303.307 0.608 20 0 DCADMM NC(=O)c1cc(NC(=O)c2ccsc2-c2nn[n-]n2)c[nH]1 ZINC001592735122 1167621798 /nfs/dbraw/zinc/62/17/98/1167621798.db2.gz FFAMNZRAUMSCFM-UHFFFAOYSA-N -1 1 303.307 0.608 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cn1 ZINC001592736145 1167622600 /nfs/dbraw/zinc/62/26/00/1167622600.db2.gz WKYGOLVPXUZTED-UHFFFAOYSA-N -1 1 310.277 0.008 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cn1 ZINC001592736145 1167622604 /nfs/dbraw/zinc/62/26/04/1167622604.db2.gz WKYGOLVPXUZTED-UHFFFAOYSA-N -1 1 310.277 0.008 20 0 DCADMM NC(=O)c1ccccc1COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592737367 1167622751 /nfs/dbraw/zinc/62/27/51/1167622751.db2.gz DJIZKAALUSVERW-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM NC(=O)c1ccccc1COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592737367 1167622754 /nfs/dbraw/zinc/62/27/54/1167622754.db2.gz DJIZKAALUSVERW-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1c2nc[nH]c2ccc1F ZINC001592753060 1167630790 /nfs/dbraw/zinc/63/07/90/1167630790.db2.gz IFNOATPHLZSBLU-UHFFFAOYSA-N -1 1 313.256 0.349 20 0 DCADMM O=C(/C=C\[C@H]1CCOC1)OCc1cccnc1-c1nnn[n-]1 ZINC001592794196 1167643260 /nfs/dbraw/zinc/64/32/60/1167643260.db2.gz JQWJLONCXBRURO-XOULXFPDSA-N -1 1 301.306 0.898 20 0 DCADMM O=C(/C=C\[C@H]1CCOC1)OCc1cccnc1-c1nn[n-]n1 ZINC001592794196 1167643263 /nfs/dbraw/zinc/64/32/63/1167643263.db2.gz JQWJLONCXBRURO-XOULXFPDSA-N -1 1 301.306 0.898 20 0 DCADMM O=C(C1CC1)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001592776172 1167643316 /nfs/dbraw/zinc/64/33/16/1167643316.db2.gz PWFUUHSCWXBCNJ-LLVKDONJSA-N -1 1 317.305 0.280 20 0 DCADMM O=C(C1CC1)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001592776172 1167643331 /nfs/dbraw/zinc/64/33/31/1167643331.db2.gz PWFUUHSCWXBCNJ-LLVKDONJSA-N -1 1 317.305 0.280 20 0 DCADMM O=C(CC1CC1)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001592813618 1167644882 /nfs/dbraw/zinc/64/48/82/1167644882.db2.gz OQNXJTMYLUXAIK-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(CC1CC1)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001592813618 1167644887 /nfs/dbraw/zinc/64/48/87/1167644887.db2.gz OQNXJTMYLUXAIK-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(CC1CCC1)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001592820079 1167645791 /nfs/dbraw/zinc/64/57/91/1167645791.db2.gz RONHPBNVAWXFBT-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(CC1CCC1)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001592820079 1167645793 /nfs/dbraw/zinc/64/57/93/1167645793.db2.gz RONHPBNVAWXFBT-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(CCn1cccc1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592860792 1167652296 /nfs/dbraw/zinc/65/22/96/1167652296.db2.gz KSHPSZCZVCICEO-UHFFFAOYSA-N -1 1 303.351 0.831 20 0 DCADMM O=C(CCn1cccc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592860792 1167652300 /nfs/dbraw/zinc/65/23/00/1167652300.db2.gz KSHPSZCZVCICEO-UHFFFAOYSA-N -1 1 303.351 0.831 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1COC[C@H]1C1CC1 ZINC001592914570 1167663233 /nfs/dbraw/zinc/66/32/33/1167663233.db2.gz CQQHEWRBQQJXJY-WCQYABFASA-N -1 1 314.349 0.345 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1COC[C@H]1C1CC1 ZINC001592914570 1167663236 /nfs/dbraw/zinc/66/32/36/1167663236.db2.gz CQQHEWRBQQJXJY-WCQYABFASA-N -1 1 314.349 0.345 20 0 DCADMM O=C(Cc1ccc(O)c(F)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592919602 1167665397 /nfs/dbraw/zinc/66/53/97/1167665397.db2.gz ZAKHWJJBKQFASX-UHFFFAOYSA-N -1 1 303.257 0.616 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Cl)cn1 ZINC001592941525 1167670137 /nfs/dbraw/zinc/67/01/37/1167670137.db2.gz CSTJDGLFENDQQR-UHFFFAOYSA-N -1 1 305.689 0.145 20 0 DCADMM O=C(N[C@@H](CCO)c1ccco1)c1cccc(-c2nnn[n-]2)n1 ZINC001592949920 1167671537 /nfs/dbraw/zinc/67/15/37/1167671537.db2.gz OTCGWWULOFRRBA-VIFPVBQESA-N -1 1 314.305 0.708 20 0 DCADMM O=C(N[C@@H](CCO)c1ccco1)c1cccc(-c2nn[n-]n2)n1 ZINC001592949920 1167671545 /nfs/dbraw/zinc/67/15/45/1167671545.db2.gz OTCGWWULOFRRBA-VIFPVBQESA-N -1 1 314.305 0.708 20 0 DCADMM O=C(N[C@@H](CO)[C@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001592953776 1167671726 /nfs/dbraw/zinc/67/17/26/1167671726.db2.gz NVBZKSVNIQXQCN-CBAPKCEASA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@@H](CO)[C@H]1CCOC1)c1ccsc1-c1nn[n-]n1 ZINC001592953776 1167671729 /nfs/dbraw/zinc/67/17/29/1167671729.db2.gz NVBZKSVNIQXQCN-CBAPKCEASA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@H](CO)C[C@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001592953845 1167673700 /nfs/dbraw/zinc/67/37/00/1167673700.db2.gz PXVKUTQXAMBOKC-VHSXEESVSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@H](CO)C[C@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001592953845 1167673705 /nfs/dbraw/zinc/67/37/05/1167673705.db2.gz PXVKUTQXAMBOKC-VHSXEESVSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(NC1(CO)CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001592960646 1167673859 /nfs/dbraw/zinc/67/38/59/1167673859.db2.gz XJQGOHAOLLTOQD-UHFFFAOYSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(NC1(CO)CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001592960646 1167673860 /nfs/dbraw/zinc/67/38/60/1167673860.db2.gz XJQGOHAOLLTOQD-UHFFFAOYSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001593006594 1167685312 /nfs/dbraw/zinc/68/53/12/1167685312.db2.gz PMPSXYHMKLNWMC-SCZZXKLOSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@H](CO)[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593006786 1167687004 /nfs/dbraw/zinc/68/70/04/1167687004.db2.gz SOGUJEOQGLCUAM-DTWKUNHWSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@H](CO)[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593006786 1167687009 /nfs/dbraw/zinc/68/70/09/1167687009.db2.gz SOGUJEOQGLCUAM-DTWKUNHWSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@H](O)c1ccco1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593014214 1167688534 /nfs/dbraw/zinc/68/85/34/1167688534.db2.gz WXXIXOWFPHAMQG-JTQLQIEISA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@H](O)c1ccco1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593014214 1167688537 /nfs/dbraw/zinc/68/85/37/1167688537.db2.gz WXXIXOWFPHAMQG-JTQLQIEISA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NCCC1(CO)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593059153 1167694628 /nfs/dbraw/zinc/69/46/28/1167694628.db2.gz ORVWGRMTTYVBAU-UHFFFAOYSA-N -1 1 305.313 0.898 20 0 DCADMM O=C(NCCC1(CO)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593059153 1167694631 /nfs/dbraw/zinc/69/46/31/1167694631.db2.gz ORVWGRMTTYVBAU-UHFFFAOYSA-N -1 1 305.313 0.898 20 0 DCADMM O=C(NCCCc1c[nH][nH]c1=O)c1ccc(-c2nn[n-]n2)s1 ZINC001593067170 1167698678 /nfs/dbraw/zinc/69/86/78/1167698678.db2.gz VTCUATZTMDRFFT-SSDOTTSWSA-N -1 1 319.350 0.170 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCCC12CC2 ZINC001593110125 1167712352 /nfs/dbraw/zinc/71/23/52/1167712352.db2.gz SOGPBWBXZHUQLE-VIFPVBQESA-N -1 1 302.342 0.155 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)Nc1cccnn1 ZINC001593151967 1167725808 /nfs/dbraw/zinc/72/58/08/1167725808.db2.gz OTJJVGMBHXDZTH-UHFFFAOYSA-N -1 1 303.311 0.435 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)Nc1cccnn1 ZINC001593151967 1167725817 /nfs/dbraw/zinc/72/58/17/1167725817.db2.gz OTJJVGMBHXDZTH-UHFFFAOYSA-N -1 1 303.311 0.435 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H](O)C1CCCCC1 ZINC001593148889 1167727309 /nfs/dbraw/zinc/72/73/09/1167727309.db2.gz FBJOQIKUMFLKBO-NSHDSACASA-N -1 1 322.394 0.881 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H](O)C1CCCCC1 ZINC001593148889 1167727319 /nfs/dbraw/zinc/72/73/19/1167727319.db2.gz FBJOQIKUMFLKBO-NSHDSACASA-N -1 1 322.394 0.881 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@@]2(O)C[C@H]2C1 ZINC001593244694 1167743493 /nfs/dbraw/zinc/74/34/93/1167743493.db2.gz XLKRDANDBOGFKY-ISVAXAHUSA-N -1 1 301.310 0.250 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@@]2(O)C[C@H]2C1 ZINC001593244694 1167743499 /nfs/dbraw/zinc/74/34/99/1167743499.db2.gz XLKRDANDBOGFKY-ISVAXAHUSA-N -1 1 301.310 0.250 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001593244475 1167744927 /nfs/dbraw/zinc/74/49/27/1167744927.db2.gz YEIOZMTVMXVJLL-MRVPVSSYSA-N -1 1 313.321 0.211 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001593244475 1167744938 /nfs/dbraw/zinc/74/49/38/1167744938.db2.gz YEIOZMTVMXVJLL-MRVPVSSYSA-N -1 1 313.321 0.211 20 0 DCADMM O=C(Nc1cnc2n[nH]cc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593258858 1167746254 /nfs/dbraw/zinc/74/62/54/1167746254.db2.gz UIVVBYXQQIXMEV-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1cnc2n[nH]cc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593258858 1167746260 /nfs/dbraw/zinc/74/62/60/1167746260.db2.gz UIVVBYXQQIXMEV-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(O[C@H]1CCN(C2CC2)C1=O)c1sccc1-c1nn[n-]n1 ZINC001593280674 1167754669 /nfs/dbraw/zinc/75/46/69/1167754669.db2.gz NAJJYPWUSZSFCI-VIFPVBQESA-N -1 1 319.346 0.848 20 0 DCADMM O=C(OC[C@@H]1CCCCNC1=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001593283454 1167759050 /nfs/dbraw/zinc/75/90/50/1167759050.db2.gz 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O=C1[C@H]2CSCN2C(=O)N1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593377500 1167790053 /nfs/dbraw/zinc/79/00/53/1167790053.db2.gz GZLSHAPMEGSTIO-SSDOTTSWSA-N -1 1 306.307 0.297 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC(N2CCCC2=O)C1 ZINC001593371937 1167790414 /nfs/dbraw/zinc/79/04/14/1167790414.db2.gz XGWTZVUJZHLNNP-UHFFFAOYSA-N -1 1 318.362 0.375 20 0 DCADMM O=C1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1c1ccccc1 ZINC001593377747 1167791866 /nfs/dbraw/zinc/79/18/66/1167791866.db2.gz IKBGMUIBLXMODY-NSHDSACASA-N -1 1 322.332 0.874 20 0 DCADMM O=C1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1c1ccccc1 ZINC001593377747 1167791872 /nfs/dbraw/zinc/79/18/72/1167791872.db2.gz IKBGMUIBLXMODY-NSHDSACASA-N -1 1 322.332 0.874 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001593391442 1167802262 /nfs/dbraw/zinc/80/22/62/1167802262.db2.gz WXNOZCPKUFKLIR-AVPPRXQKSA-N -1 1 303.347 0.770 20 0 DCADMM O=C1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001593391218 1167802585 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c1ncn([C@@H]2CCN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)C2)n1 ZINC001593593610 1167955923 /nfs/dbraw/zinc/95/59/23/1167955923.db2.gz QUJUULXLTMDQBC-SNVBAGLBSA-N -1 1 324.352 0.577 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001598334914 1168019604 /nfs/dbraw/zinc/01/96/04/1168019604.db2.gz DZNZAYHACKCWSM-KBPBESRZSA-N -1 1 317.389 0.964 20 0 DCADMM COC(=O)CC[C@H](C(=O)[O-])N1CCN(c2ccnc(C)n2)CC1 ZINC001598848372 1168046041 /nfs/dbraw/zinc/04/60/41/1168046041.db2.gz PHAKBKGHCKMFRV-GFCCVEGCSA-N -1 1 322.365 0.313 20 0 DCADMM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CCN[C@H](C)C1 ZINC001600119023 1168123461 /nfs/dbraw/zinc/12/34/61/1168123461.db2.gz JKLBPQDKNODXQD-SNVBAGLBSA-N -1 1 305.334 0.452 20 0 DCADMM Cc1cc(CN2CCC[C@@H](S(N)(=O)=O)C2)ccc1C(=O)[O-] ZINC001600194133 1168135009 /nfs/dbraw/zinc/13/50/09/1168135009.db2.gz AGXZCVOGRRBWQY-GFCCVEGCSA-N -1 1 312.391 0.946 20 0 DCADMM Cc1cc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)n(C)n1 ZINC001600200448 1168137180 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C[C@H](O)[C@H]1CCN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001603695347 1169357348 /nfs/dbraw/zinc/35/73/48/1169357348.db2.gz KTSDFIURVNLASP-YUMQZZPRSA-N -1 1 323.303 0.988 20 0 DCADMM C[C@H](O)[C@H]1CCN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001603695347 1169357357 /nfs/dbraw/zinc/35/73/57/1169357357.db2.gz KTSDFIURVNLASP-YUMQZZPRSA-N -1 1 323.303 0.988 20 0 DCADMM C[C@@H](O)C[C@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001603695367 1169359635 /nfs/dbraw/zinc/35/96/35/1169359635.db2.gz KYIUTXUHIPCPSI-JGVFFNPUSA-N -1 1 310.383 0.887 20 0 DCADMM CC(C)C(C)(C)CS(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001603708116 1169368069 /nfs/dbraw/zinc/36/80/69/1169368069.db2.gz BVEPPOSPOHJOSR-GFCCVEGCSA-N -1 1 320.455 0.947 20 0 DCADMM C[C@@H](c1ccccc1)N(C)C(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001603734476 1169373526 /nfs/dbraw/zinc/37/35/26/1169373526.db2.gz IYPXBMZGCNJERZ-JTQLQIEISA-N -1 1 312.337 0.678 20 0 DCADMM CC1(C)CCC[C@]1(O)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603775129 1169386067 /nfs/dbraw/zinc/38/60/67/1169386067.db2.gz VXDHJKUAAJWSLD-HNNXBMFYSA-N -1 1 316.365 0.933 20 0 DCADMM CC1(C)CCC[C@]1(O)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603775129 1169386077 /nfs/dbraw/zinc/38/60/77/1169386077.db2.gz VXDHJKUAAJWSLD-HNNXBMFYSA-N -1 1 316.365 0.933 20 0 DCADMM CC1(C)CCN(c2ccnc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC001603778665 1169389446 /nfs/dbraw/zinc/38/94/46/1169389446.db2.gz RKLKQEBOOWXZFV-UHFFFAOYSA-N -1 1 322.394 0.665 20 0 DCADMM CC1(C)CCN(c2ccnc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC001603778665 1169389454 /nfs/dbraw/zinc/38/94/54/1169389454.db2.gz RKLKQEBOOWXZFV-UHFFFAOYSA-N -1 1 322.394 0.665 20 0 DCADMM CC(C)CN1CCO[C@@H](CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001603815968 1169401900 /nfs/dbraw/zinc/40/19/00/1169401900.db2.gz HLGKSQIKJKHCPF-FRRDWIJNSA-N -1 1 313.398 0.363 20 0 DCADMM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001603838031 1169408239 /nfs/dbraw/zinc/40/82/39/1169408239.db2.gz VVZCIIGGSDUCSH-MWLCHTKSSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001603838031 1169408240 /nfs/dbraw/zinc/40/82/40/1169408240.db2.gz VVZCIIGGSDUCSH-MWLCHTKSSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1C[C@@]2(CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)O2)CO1 ZINC001603870321 1169419391 /nfs/dbraw/zinc/41/93/91/1169419391.db2.gz CAGANOWFOQFPCC-RULNRJAQSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1C[C@@]2(CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)O2)CO1 ZINC001603870321 1169419394 /nfs/dbraw/zinc/41/93/94/1169419394.db2.gz CAGANOWFOQFPCC-RULNRJAQSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001603886339 1169420993 /nfs/dbraw/zinc/42/09/93/1169420993.db2.gz JOOWKRCXDSCXDF-KXUCPTDWSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@H]1CC[C@@H](Nc2cccnc2-c2nnn[n-]2)CS1(=O)=O ZINC001603880221 1169421227 /nfs/dbraw/zinc/42/12/27/1169421227.db2.gz FSBJIEISPKLQRC-DTWKUNHWSA-N -1 1 308.367 0.639 20 0 DCADMM C[C@H]1CC[C@@H](Nc2cccnc2-c2nn[n-]n2)CS1(=O)=O ZINC001603880221 1169421228 /nfs/dbraw/zinc/42/12/28/1169421228.db2.gz FSBJIEISPKLQRC-DTWKUNHWSA-N -1 1 308.367 0.639 20 0 DCADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC[S@]1=O ZINC001603904271 1169429647 /nfs/dbraw/zinc/42/96/47/1169429647.db2.gz YSFYABFVIHENIB-IJSAXESFSA-N -1 1 309.351 0.443 20 0 DCADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC[S@]1=O ZINC001603904271 1169429651 /nfs/dbraw/zinc/42/96/51/1169429651.db2.gz YSFYABFVIHENIB-IJSAXESFSA-N -1 1 309.351 0.443 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@]2(CCOC2)O1 ZINC001603931739 1169441804 /nfs/dbraw/zinc/44/18/04/1169441804.db2.gz RDMJGNXLGYVFAF-OTYXRUKQSA-N -1 1 319.321 0.480 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@]2(CCOC2)O1 ZINC001603931739 1169441809 /nfs/dbraw/zinc/44/18/09/1169441809.db2.gz RDMJGNXLGYVFAF-OTYXRUKQSA-N -1 1 319.321 0.480 20 0 DCADMM C[C@H]1COCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603949330 1169448018 /nfs/dbraw/zinc/44/80/18/1169448018.db2.gz SROHLSDCQQKRTA-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM C[C@H]1COCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603949330 1169448026 /nfs/dbraw/zinc/44/80/26/1169448026.db2.gz SROHLSDCQQKRTA-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM C[C@@H]1OC(=O)N[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001603953719 1169448978 /nfs/dbraw/zinc/44/89/78/1169448978.db2.gz JZQIAGDDOSWRHH-XNCJUZBTSA-N -1 1 309.307 0.468 20 0 DCADMM CCC(C)(C)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001603981872 1169462877 /nfs/dbraw/zinc/46/28/77/1169462877.db2.gz OWYAVJVCCSQGLO-UHFFFAOYSA-N -1 1 307.358 0.112 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001603995187 1169466787 /nfs/dbraw/zinc/46/67/87/1169466787.db2.gz LJWKRJWXZHKJDE-ZJUUUORDSA-N -1 1 318.385 0.289 20 0 DCADMM CC[C@@H](C)[C@H](C)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001603999161 1169467216 /nfs/dbraw/zinc/46/72/16/1169467216.db2.gz VVJMMUYTQARUSL-BDAKNGLRSA-N -1 1 307.362 0.192 20 0 DCADMM CC[C@H](C)[C@H](C)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001603999164 1169467858 /nfs/dbraw/zinc/46/78/58/1169467858.db2.gz VVJMMUYTQARUSL-IUCAKERBSA-N -1 1 307.362 0.192 20 0 DCADMM CC[C@H](C)[C@@H](O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604000841 1169468723 /nfs/dbraw/zinc/46/87/23/1169468723.db2.gz RZBNZWJTGIRJHM-CABZTGNLSA-N -1 1 304.354 0.327 20 0 DCADMM CC[C@H](C)[C@@H](O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604000841 1169468725 /nfs/dbraw/zinc/46/87/25/1169468725.db2.gz RZBNZWJTGIRJHM-CABZTGNLSA-N -1 1 304.354 0.327 20 0 DCADMM CC[C@](COC)(NCc1ccc(-c2nnn[n-]2)o1)C(=O)OC ZINC001604039326 1169476052 /nfs/dbraw/zinc/47/60/52/1169476052.db2.gz JRCQMXRLYNUYLR-CYBMUJFWSA-N -1 1 309.326 0.518 20 0 DCADMM CC[C@](COC)(NCc1ccc(-c2nn[n-]n2)o1)C(=O)OC ZINC001604039326 1169476062 /nfs/dbraw/zinc/47/60/62/1169476062.db2.gz JRCQMXRLYNUYLR-CYBMUJFWSA-N -1 1 309.326 0.518 20 0 DCADMM CC[C@@H](SC)C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001604073056 1169485841 /nfs/dbraw/zinc/48/58/41/1169485841.db2.gz BSLHFGAMCDZWLQ-SECBINFHSA-N -1 1 322.398 0.326 20 0 DCADMM CC[C@@H](SC)C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001604073056 1169485849 /nfs/dbraw/zinc/48/58/49/1169485849.db2.gz BSLHFGAMCDZWLQ-SECBINFHSA-N -1 1 322.398 0.326 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)N(C)C2CCOCC2)CC1 ZINC001604113893 1169496110 /nfs/dbraw/zinc/49/61/10/1169496110.db2.gz MKCADSFMIKLXMX-LBPRGKRZSA-N -1 1 313.398 0.698 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001604118902 1169497610 /nfs/dbraw/zinc/49/76/10/1169497610.db2.gz BSHXJIPMBYMVJK-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001604118902 1169497615 /nfs/dbraw/zinc/49/76/15/1169497615.db2.gz BSHXJIPMBYMVJK-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CC[C@H]1COCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604116053 1169497975 /nfs/dbraw/zinc/49/79/75/1169497975.db2.gz LJZJLHBSUUTLQN-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM CC[C@H]1COCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604116053 1169497982 /nfs/dbraw/zinc/49/79/82/1169497982.db2.gz LJZJLHBSUUTLQN-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM CCCC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001604126777 1169500645 /nfs/dbraw/zinc/50/06/45/1169500645.db2.gz UALBRHUISSEFJH-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001604126777 1169500649 /nfs/dbraw/zinc/50/06/49/1169500649.db2.gz UALBRHUISSEFJH-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CCNc1ncc(C(=O)[O-])cn1)NC(=O)c1[nH]ncc1F ZINC001604141492 1169504339 /nfs/dbraw/zinc/50/43/39/1169504339.db2.gz IPCAURWQWKQKAR-SSDOTTSWSA-N -1 1 322.300 0.658 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)Nc1ncc(C(=O)[O-])cn1 ZINC001604154585 1169508180 /nfs/dbraw/zinc/50/81/80/1169508180.db2.gz RZQZLNKTSMQTIC-JQWIXIFHSA-N -1 1 321.381 0.528 20 0 DCADMM CCC[C@H]1CN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)CCO1 ZINC001604152104 1169508210 /nfs/dbraw/zinc/50/82/10/1169508210.db2.gz HYXTZNLRYCVEBN-LBPRGKRZSA-N -1 1 318.381 0.795 20 0 DCADMM CCCCCC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001604169194 1169512972 /nfs/dbraw/zinc/51/29/72/1169512972.db2.gz PSHBESRASKKUAY-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCCCC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001604169194 1169512978 /nfs/dbraw/zinc/51/29/78/1169512978.db2.gz PSHBESRASKKUAY-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCN1C[C@H](CNc2cc(-c3nnn[n-]3)ncn2)CC1=O ZINC001604221265 1169528147 /nfs/dbraw/zinc/52/81/47/1169528147.db2.gz YNLFBSANAUGYJG-VIFPVBQESA-N -1 1 302.342 0.327 20 0 DCADMM CCCN1C[C@H](CNc2cc(-c3nn[n-]n3)ncn2)CC1=O ZINC001604221265 1169528157 /nfs/dbraw/zinc/52/81/57/1169528157.db2.gz YNLFBSANAUGYJG-VIFPVBQESA-N -1 1 302.342 0.327 20 0 DCADMM CCCc1nc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)co1 ZINC001604246499 1169533093 /nfs/dbraw/zinc/53/30/93/1169533093.db2.gz KWJZTNMJORQGLF-UHFFFAOYSA-N -1 1 302.298 0.793 20 0 DCADMM CCCc1nc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)co1 ZINC001604246499 1169533095 /nfs/dbraw/zinc/53/30/95/1169533095.db2.gz KWJZTNMJORQGLF-UHFFFAOYSA-N -1 1 302.298 0.793 20 0 DCADMM 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Cc1cc(N2CCCC3(C2)OCCO3)cc(-c2nnn[n-]2)n1 ZINC001605694204 1169987304 /nfs/dbraw/zinc/98/73/04/1169987304.db2.gz CJQGOVPOTHHZEG-UHFFFAOYSA-N -1 1 302.338 0.913 20 0 DCADMM Cc1cc(N2CCCC3(C2)OCCO3)cc(-c2nn[n-]n2)n1 ZINC001605694204 1169987308 /nfs/dbraw/zinc/98/73/08/1169987308.db2.gz CJQGOVPOTHHZEG-UHFFFAOYSA-N -1 1 302.338 0.913 20 0 DCADMM Cc1cc(NCc2ccc(C(N)=O)nc2)cc(-c2nnn[n-]2)n1 ZINC001605739641 1169996504 /nfs/dbraw/zinc/99/65/04/1169996504.db2.gz HUSFQHHJKUFXEG-UHFFFAOYSA-N -1 1 310.321 0.676 20 0 DCADMM Cc1cc(NCc2ccc(C(N)=O)nc2)cc(-c2nn[n-]n2)n1 ZINC001605739641 1169996512 /nfs/dbraw/zinc/99/65/12/1169996512.db2.gz HUSFQHHJKUFXEG-UHFFFAOYSA-N -1 1 310.321 0.676 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC001605802707 1170004798 /nfs/dbraw/zinc/00/47/98/1170004798.db2.gz DHZVQXOHNKLZNX-AOOOYVTPSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC001605802707 1170004805 /nfs/dbraw/zinc/00/48/05/1170004805.db2.gz DHZVQXOHNKLZNX-AOOOYVTPSA-N -1 1 322.394 0.582 20 0 DCADMM CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)c2ccc(C(=O)[O-])[nH]2)n[nH]1 ZINC001605857807 1170015564 /nfs/dbraw/zinc/01/55/64/1170015564.db2.gz WDYAXCMUNYVRNO-XCBNKYQSSA-N -1 1 319.321 0.342 20 0 DCADMM Cc1ccc(N2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2nnn[n-]2)n1 ZINC001605867288 1170016467 /nfs/dbraw/zinc/01/64/67/1170016467.db2.gz HJFVCTRMUAGBHQ-STQMWFEESA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2nn[n-]n2)n1 ZINC001605867288 1170016472 /nfs/dbraw/zinc/01/64/72/1170016472.db2.gz HJFVCTRMUAGBHQ-STQMWFEESA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccccc1Cc1nnc(Cn2cnc(-c3nn[n-]n3)n2)o1 ZINC001605942556 1170030656 /nfs/dbraw/zinc/03/06/56/1170030656.db2.gz WLFMLQYQPGRGKA-UHFFFAOYSA-N -1 1 323.320 0.789 20 0 DCADMM Cc1ccn(C[C@@H]2C[C@H]3COC[C@@H]3O2)c(=O)c1-c1nn[n-]n1 ZINC001605950558 1170033156 /nfs/dbraw/zinc/03/31/56/1170033156.db2.gz YMCSBKPFKYGFMS-DCAQKATOSA-N -1 1 303.322 0.141 20 0 DCADMM Cc1ccn(CN2CCOC(C)(C)[C@H]2C)c(=O)c1-c1nn[n-]n1 ZINC001605952988 1170034008 /nfs/dbraw/zinc/03/40/08/1170034008.db2.gz SVUZORWOFTYFKA-LLVKDONJSA-N -1 1 318.381 0.794 20 0 DCADMM CN(C(=O)CCCCc1c[nH]nn1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001605958589 1170038006 /nfs/dbraw/zinc/03/80/06/1170038006.db2.gz WSZARVKIDUZERP-ZDUSSCGKSA-N -1 1 324.381 0.998 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccc(Cl)nn2)c1-c1nn[n-]n1 ZINC001606014581 1170049453 /nfs/dbraw/zinc/04/94/53/1170049453.db2.gz LASRNFSKFHQJLP-UHFFFAOYSA-N -1 1 305.689 0.594 20 0 DCADMM Cc1nc(Cn2cncc(-c3nn[n-]n3)c2=O)nc2ccccc12 ZINC001606044578 1170064406 /nfs/dbraw/zinc/06/44/06/1170064406.db2.gz KUTDBNSPVUJLFI-UHFFFAOYSA-N -1 1 320.316 0.723 20 0 DCADMM Cc1nc(N[C@H](CCO)C2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001606059645 1170068360 /nfs/dbraw/zinc/06/83/60/1170068360.db2.gz COVOZXCCTQHAMI-LLVKDONJSA-N -1 1 319.369 0.555 20 0 DCADMM Cc1nc(N[C@H](CCO)C2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001606059645 1170068366 /nfs/dbraw/zinc/06/83/66/1170068366.db2.gz COVOZXCCTQHAMI-LLVKDONJSA-N -1 1 319.369 0.555 20 0 DCADMM Cc1nc(NCCCN2CCOC2=O)cc(-c2nnn[n-]2)n1 ZINC001606073386 1170070577 /nfs/dbraw/zinc/07/05/77/1170070577.db2.gz LFMIWPITNVUMIC-UHFFFAOYSA-N -1 1 304.314 0.219 20 0 DCADMM Cc1nc(NCCCN2CCOC2=O)cc(-c2nn[n-]n2)n1 ZINC001606073386 1170070585 /nfs/dbraw/zinc/07/05/85/1170070585.db2.gz LFMIWPITNVUMIC-UHFFFAOYSA-N -1 1 304.314 0.219 20 0 DCADMM CN(CC(=O)NC[C@]1(C(=O)[O-])CCOC1)[C@H]1CCSC1 ZINC001606080890 1170071112 /nfs/dbraw/zinc/07/11/12/1170071112.db2.gz WVMPGBFLKWMLKI-GXFFZTMASA-N -1 1 302.396 0.031 20 0 DCADMM Cc1nc2n(n1)CCN(Cc1nc(-c3nnn[n-]3)cs1)C2 ZINC001606083596 1170071127 /nfs/dbraw/zinc/07/11/27/1170071127.db2.gz FONGGUWWDUUKLJ-UHFFFAOYSA-N -1 1 303.355 0.239 20 0 DCADMM Cc1nc2n(n1)CCN(Cc1nc(-c3nn[n-]n3)cs1)C2 ZINC001606083596 1170071135 /nfs/dbraw/zinc/07/11/35/1170071135.db2.gz FONGGUWWDUUKLJ-UHFFFAOYSA-N -1 1 303.355 0.239 20 0 DCADMM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)CC1(O)CCOCC1 ZINC001606085200 1170072915 /nfs/dbraw/zinc/07/29/15/1170072915.db2.gz MWMHLSJXLBOJIN-UHFFFAOYSA-N -1 1 322.361 0.797 20 0 DCADMM Cc1nn(C)c(C)c1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606106760 1170077419 /nfs/dbraw/zinc/07/74/19/1170077419.db2.gz FGJQFVVJCPLKQC-UHFFFAOYSA-N -1 1 301.314 0.121 20 0 DCADMM Cc1noc(C2CN(C(=O)c3cc(-c4nnn[n-]4)oc3C)C2)n1 ZINC001606132245 1170090005 /nfs/dbraw/zinc/09/00/05/1170090005.db2.gz JXGVDPXUWVYSFD-UHFFFAOYSA-N -1 1 315.293 0.699 20 0 DCADMM Cc1noc(C2CN(C(=O)c3cc(-c4nn[n-]n4)oc3C)C2)n1 ZINC001606132245 1170090013 /nfs/dbraw/zinc/09/00/13/1170090013.db2.gz JXGVDPXUWVYSFD-UHFFFAOYSA-N -1 1 315.293 0.699 20 0 DCADMM Cc1noc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)n1 ZINC001606134142 1170092164 /nfs/dbraw/zinc/09/21/64/1170092164.db2.gz YXGWCKZMNKEUHH-UHFFFAOYSA-N -1 1 313.321 0.647 20 0 DCADMM CN(Cc1cnc[nH]1)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001606145658 1170093543 /nfs/dbraw/zinc/09/35/43/1170093543.db2.gz IODFFQRBDUYXRW-UHFFFAOYSA-N -1 1 309.347 0.858 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001606151521 1170095099 /nfs/dbraw/zinc/09/50/99/1170095099.db2.gz WGJCMQKVIGMSOQ-JGVFFNPUSA-N -1 1 321.366 0.690 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001606151521 1170095103 /nfs/dbraw/zinc/09/51/03/1170095103.db2.gz WGJCMQKVIGMSOQ-JGVFFNPUSA-N -1 1 321.366 0.690 20 0 DCADMM Cc1nsc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c1-c1nnn[n-]1 ZINC001606149528 1170096612 /nfs/dbraw/zinc/09/66/12/1170096612.db2.gz UOKRZBASCJNALR-ZQARSLAVSA-N -1 1 306.351 0.995 20 0 DCADMM Cc1nsc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c1-c1nn[n-]n1 ZINC001606149528 1170096620 /nfs/dbraw/zinc/09/66/20/1170096620.db2.gz UOKRZBASCJNALR-ZQARSLAVSA-N -1 1 306.351 0.995 20 0 DCADMM Cc1onc(CC(=O)NCC(C)(C)[C@@H](C)O)c1-c1nnn[n-]1 ZINC001606179957 1170105155 /nfs/dbraw/zinc/10/51/55/1170105155.db2.gz QQTFXPWRWDGJOV-MRVPVSSYSA-N -1 1 308.342 0.229 20 0 DCADMM Cc1onc(CC(=O)NCC(C)(C)[C@@H](C)O)c1-c1nn[n-]n1 ZINC001606179957 1170105161 /nfs/dbraw/zinc/10/51/61/1170105161.db2.gz QQTFXPWRWDGJOV-MRVPVSSYSA-N -1 1 308.342 0.229 20 0 DCADMM Clc1cc2c(cc1Cn1cc(-c3nn[n-]n3)nn1)OCCO2 ZINC001606188995 1170107697 /nfs/dbraw/zinc/10/76/97/1170107697.db2.gz MFWVDLMLEAEMSU-UHFFFAOYSA-N -1 1 319.712 0.931 20 0 DCADMM Cn1c2cc(CNc3ncncc3-c3nn[n-]n3)ccc2oc1=O ZINC001606208024 1170114061 /nfs/dbraw/zinc/11/40/61/1170114061.db2.gz PGWISCRDTYQUHR-UHFFFAOYSA-N -1 1 324.304 0.714 20 0 DCADMM C[N@H+]1C[C@@H](OC(=O)c2ccn(C3CCOCC3)n2)C[C@H]1C(=O)[O-] ZINC001606210735 1170116168 /nfs/dbraw/zinc/11/61/68/1170116168.db2.gz ZJZOSVDJULOPAI-AAEUAGOBSA-N -1 1 323.349 0.549 20 0 DCADMM Cn1c(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)nc2ccccc21 ZINC001606217591 1170118397 /nfs/dbraw/zinc/11/83/97/1170118397.db2.gz KZPGHFNQVUPHTP-UHFFFAOYSA-N -1 1 324.304 0.064 20 0 DCADMM C[N@H+]1CCN(Cc2nc(=O)c3sccc3[n-]2)C[C@@H](C(=O)[O-])C1 ZINC001606244510 1170133912 /nfs/dbraw/zinc/13/39/12/1170133912.db2.gz JWGXTLHDZQJLBK-VIFPVBQESA-N -1 1 322.390 0.845 20 0 DCADMM CN1CCN(S(=O)(=O)CC2(C)CCC2)C[C@@H](C(=O)[O-])C1 ZINC001606245026 1170136057 /nfs/dbraw/zinc/13/60/57/1170136057.db2.gz PAMSMSYTCKIFFQ-NSHDSACASA-N -1 1 304.412 0.455 20 0 DCADMM CNC(=O)CCOC1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001606266770 1170142593 /nfs/dbraw/zinc/14/25/93/1170142593.db2.gz ABCCROBZENUJLO-UHFFFAOYSA-N -1 1 309.366 0.830 20 0 DCADMM CNC(=O)Cc1nc(CN2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cs1 ZINC001606277453 1170145795 /nfs/dbraw/zinc/14/57/95/1170145795.db2.gz MAIUSPRZLFNYRU-XPTSAGLGSA-N -1 1 311.407 0.974 20 0 DCADMM Cn1nccc1C1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001606279977 1170146623 /nfs/dbraw/zinc/14/66/23/1170146623.db2.gz CWJBKSBEOKXGNN-UHFFFAOYSA-N -1 1 309.337 0.684 20 0 DCADMM Cn1nccc1C1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001606279977 1170146625 /nfs/dbraw/zinc/14/66/25/1170146625.db2.gz CWJBKSBEOKXGNN-UHFFFAOYSA-N -1 1 309.337 0.684 20 0 DCADMM FC(F)(F)CN1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001606288166 1170150386 /nfs/dbraw/zinc/15/03/86/1170150386.db2.gz XJFUDDHZADALQE-ZETCQYMHSA-N -1 1 314.275 0.705 20 0 DCADMM FC(F)(F)CN1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001606288166 1170150391 /nfs/dbraw/zinc/15/03/91/1170150391.db2.gz XJFUDDHZADALQE-ZETCQYMHSA-N -1 1 314.275 0.705 20 0 DCADMM CNc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)nc1 ZINC001606310472 1170156890 /nfs/dbraw/zinc/15/68/90/1170156890.db2.gz ULAOCOCDCRHNRW-NSHDSACASA-N -1 1 306.366 0.744 20 0 DCADMM COC(=O)[C@@H](CCC(=O)[O-])N1CCC[C@H](C(=O)NC(C)C)C1 ZINC001606332922 1170161276 /nfs/dbraw/zinc/16/12/76/1170161276.db2.gz MGKRIACRRGVAGL-NWDGAFQWSA-N -1 1 314.382 0.629 20 0 DCADMM Nc1nnc([C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001606456635 1170213468 /nfs/dbraw/zinc/21/34/68/1170213468.db2.gz XXTFIBDAGSLRNY-SSDOTTSWSA-N -1 1 314.313 0.006 20 0 DCADMM O=C([C@H]1CCCO1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001606472648 1170216513 /nfs/dbraw/zinc/21/65/13/1170216513.db2.gz YQAFBKCZRIVSJV-GFCCVEGCSA-N -1 1 300.322 0.720 20 0 DCADMM O=C([C@H]1CCCO1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001606472648 1170216518 /nfs/dbraw/zinc/21/65/18/1170216518.db2.gz YQAFBKCZRIVSJV-GFCCVEGCSA-N -1 1 300.322 0.720 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC1(O)CCCC1 ZINC001606595307 1170240252 /nfs/dbraw/zinc/24/02/52/1170240252.db2.gz UVSYXOTUVOZIHJ-UHFFFAOYSA-N -1 1 302.338 0.226 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC1(O)CCCC1 ZINC001606595307 1170240255 /nfs/dbraw/zinc/24/02/55/1170240255.db2.gz UVSYXOTUVOZIHJ-UHFFFAOYSA-N -1 1 302.338 0.226 20 0 DCADMM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1ccsc1-c1nnn[n-]1 ZINC001606646705 1170250928 /nfs/dbraw/zinc/25/09/28/1170250928.db2.gz BAYNEQYHWCVLQA-BDAKNGLRSA-N -1 1 305.363 0.962 20 0 DCADMM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1ccsc1-c1nn[n-]n1 ZINC001606646705 1170250930 /nfs/dbraw/zinc/25/09/30/1170250930.db2.gz BAYNEQYHWCVLQA-BDAKNGLRSA-N -1 1 305.363 0.962 20 0 DCADMM O=C(N[C@H]1CCn2ccnc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606686162 1170263019 /nfs/dbraw/zinc/26/30/19/1170263019.db2.gz CJMYTCHJRXJFAG-JTQLQIEISA-N -1 1 310.321 0.203 20 0 DCADMM O=C(N[C@H]1CCn2ccnc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606686162 1170263022 /nfs/dbraw/zinc/26/30/22/1170263022.db2.gz CJMYTCHJRXJFAG-JTQLQIEISA-N -1 1 310.321 0.203 20 0 DCADMM O=C(NCCCNc1cncc(-c2nnn[n-]2)n1)[C@H]1CC12CC2 ZINC001606768508 1170282780 /nfs/dbraw/zinc/28/27/80/1170282780.db2.gz CSIQEYFFRIPWGL-SECBINFHSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCCNc1cncc(-c2nn[n-]n2)n1)[C@H]1CC12CC2 ZINC001606768508 1170282783 /nfs/dbraw/zinc/28/27/83/1170282783.db2.gz CSIQEYFFRIPWGL-SECBINFHSA-N -1 1 314.353 0.375 20 0 DCADMM COC[C@@H](NCCc1cn(CC(=O)[O-])nn1)c1ccc(C)o1 ZINC001606815333 1170299514 /nfs/dbraw/zinc/29/95/14/1170299514.db2.gz WOBDZDDVAUACRA-GFCCVEGCSA-N -1 1 308.338 0.784 20 0 DCADMM O=C(NCc1cnc2n1CCCC2)c1ccc(-c2nn[nH]n2)o1 ZINC001606841838 1170309436 /nfs/dbraw/zinc/30/94/36/1170309436.db2.gz RWFACDMSHGXAHU-UHFFFAOYSA-N -1 1 313.321 0.923 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@H]1CCCOC1 ZINC001606844338 1170311160 /nfs/dbraw/zinc/31/11/60/1170311160.db2.gz NLCOPMVCHZVRQR-MRVPVSSYSA-N -1 1 323.382 0.549 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@H]1CCCOC1 ZINC001606844338 1170311164 /nfs/dbraw/zinc/31/11/64/1170311164.db2.gz NLCOPMVCHZVRQR-MRVPVSSYSA-N -1 1 323.382 0.549 20 0 DCADMM COC[C@H]1CNCCN1C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001606847694 1170312826 /nfs/dbraw/zinc/31/28/26/1170312826.db2.gz HLFWVOQGVTVSET-SNVBAGLBSA-N -1 1 323.349 0.846 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2ncccn2n1 ZINC001606897797 1170325922 /nfs/dbraw/zinc/32/59/22/1170325922.db2.gz RTUZFMWREIWNDE-UHFFFAOYSA-N -1 1 322.288 0.867 20 0 DCADMM COCCS(=O)(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001606918991 1170330557 /nfs/dbraw/zinc/33/05/57/1170330557.db2.gz AQCNOTWINXOVBM-UHFFFAOYSA-N -1 1 321.376 0.907 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1COC[C@@H]1C1CC1 ZINC001606934698 1170333686 /nfs/dbraw/zinc/33/36/86/1170333686.db2.gz IEIJCERAQFJQLV-KOLCDFICSA-N -1 1 315.337 0.808 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1COC[C@@H]1C1CC1 ZINC001606934698 1170333693 /nfs/dbraw/zinc/33/36/93/1170333693.db2.gz IEIJCERAQFJQLV-KOLCDFICSA-N -1 1 315.337 0.808 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCc2n[nH]cc2C1 ZINC001606953564 1170338032 /nfs/dbraw/zinc/33/80/32/1170338032.db2.gz ULZCHSWCQWBPTG-LURJTMIESA-N -1 1 316.350 0.790 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCc2n[nH]cc2C1 ZINC001606953564 1170338038 /nfs/dbraw/zinc/33/80/38/1170338038.db2.gz ULZCHSWCQWBPTG-LURJTMIESA-N -1 1 316.350 0.790 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cnc2n1CCC2 ZINC001606952913 1170339000 /nfs/dbraw/zinc/33/90/00/1170339000.db2.gz CYLYWILFOYUIFH-UHFFFAOYSA-N -1 1 302.323 0.718 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cnc2n1CCC2 ZINC001606952913 1170339008 /nfs/dbraw/zinc/33/90/08/1170339008.db2.gz CYLYWILFOYUIFH-UHFFFAOYSA-N -1 1 302.323 0.718 20 0 DCADMM O=C(COC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCOC1 ZINC001606964189 1170340932 /nfs/dbraw/zinc/34/09/32/1170340932.db2.gz OYFBRTCWEJLFNN-SECBINFHSA-N -1 1 303.278 0.024 20 0 DCADMM O=C(COC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC001606964189 1170340941 /nfs/dbraw/zinc/34/09/41/1170340941.db2.gz OYFBRTCWEJLFNN-SECBINFHSA-N -1 1 303.278 0.024 20 0 DCADMM O=C(OC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(-c2nn[n-]n2)o1 ZINC001606967649 1170342343 /nfs/dbraw/zinc/34/23/43/1170342343.db2.gz OMRDSJYKEPGSJA-MRVPVSSYSA-N -1 1 319.277 0.600 20 0 DCADMM O=C(OCCO[C@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001606969408 1170342842 /nfs/dbraw/zinc/34/28/42/1170342842.db2.gz BHHWQNMHXINWNX-QMMMGPOBSA-N -1 1 310.335 0.891 20 0 DCADMM O=C(OCCO[C@H]1CCOC1)c1ccsc1-c1nn[n-]n1 ZINC001606969408 1170342846 /nfs/dbraw/zinc/34/28/46/1170342846.db2.gz BHHWQNMHXINWNX-QMMMGPOBSA-N -1 1 310.335 0.891 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](C2OCCO2)C1 ZINC001607015978 1170357079 /nfs/dbraw/zinc/35/70/79/1170357079.db2.gz JFEHWZUABRXCBQ-JTQLQIEISA-N -1 1 316.321 0.097 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](C2OCCO2)C1 ZINC001607015978 1170357085 /nfs/dbraw/zinc/35/70/85/1170357085.db2.gz JFEHWZUABRXCBQ-JTQLQIEISA-N -1 1 316.321 0.097 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCOC[C@@H]1CC1CC1 ZINC001607022447 1170357812 /nfs/dbraw/zinc/35/78/12/1170357812.db2.gz UUDJCMJOQJIABM-NSHDSACASA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCOC[C@@H]1CC1CC1 ZINC001607022447 1170357819 /nfs/dbraw/zinc/35/78/19/1170357819.db2.gz UUDJCMJOQJIABM-NSHDSACASA-N -1 1 314.349 0.903 20 0 DCADMM O=C1C[C@H](CCNc2snc(Cl)c2-c2nnn[n-]2)CN1 ZINC001607038935 1170363721 /nfs/dbraw/zinc/36/37/21/1170363721.db2.gz AZUIMNWJPGABLY-YFKPBYRVSA-N -1 1 313.774 0.915 20 0 DCADMM O=C1C[C@H](CCNc2snc(Cl)c2-c2nn[n-]n2)CN1 ZINC001607038935 1170363726 /nfs/dbraw/zinc/36/37/26/1170363726.db2.gz AZUIMNWJPGABLY-YFKPBYRVSA-N -1 1 313.774 0.915 20 0 DCADMM O=C1CCCN1C1CN(Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001607043168 1170364818 /nfs/dbraw/zinc/36/48/18/1170364818.db2.gz FECRSZVUJUSCJS-UHFFFAOYSA-N -1 1 304.379 0.735 20 0 DCADMM O=C1NC2(CO1)CCN(c1cccnc1-c1nnn[n-]1)CC2 ZINC001607048211 1170369617 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ZINC001607091187 1170390760 /nfs/dbraw/zinc/39/07/60/1170390760.db2.gz AFJZEACMFWEAQJ-UHFFFAOYSA-N -1 1 302.338 0.241 20 0 DCADMM OC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H](O)C1CCCCC1 ZINC001607101401 1170394493 /nfs/dbraw/zinc/39/44/93/1170394493.db2.gz HWKPYOLPPXAHKE-YPMHNXCESA-N -1 1 319.369 0.371 20 0 DCADMM OC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H](O)C1CCCCC1 ZINC001607101401 1170394505 /nfs/dbraw/zinc/39/45/05/1170394505.db2.gz HWKPYOLPPXAHKE-YPMHNXCESA-N -1 1 319.369 0.371 20 0 DCADMM O[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]2CCCC[C@H]12 ZINC001607099994 1170395591 /nfs/dbraw/zinc/39/55/91/1170395591.db2.gz PTPOUXICAWMELP-MVWJERBFSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]2CCCC[C@H]12 ZINC001607099994 1170395597 /nfs/dbraw/zinc/39/55/97/1170395597.db2.gz PTPOUXICAWMELP-MVWJERBFSA-N -1 1 301.354 0.787 20 0 DCADMM OC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001607101506 1170397736 /nfs/dbraw/zinc/39/77/36/1170397736.db2.gz MAKMKYIUFJQAEP-LLVKDONJSA-N 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DCADMM O=C(CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)NCc1ccc2c(c1)OCO2 ZINC001608337008 1170652792 /nfs/dbraw/zinc/65/27/92/1170652792.db2.gz CROYWQOBXYXEDK-HBYGRHMLSA-N -1 1 318.329 0.294 20 0 DCADMM O=C([O-])c1ncoc1COCC(=O)Nc1ccc2[nH]nnc2c1 ZINC001608350029 1170657035 /nfs/dbraw/zinc/65/70/35/1170657035.db2.gz SMBWRHOMAJOILO-UHFFFAOYSA-N -1 1 317.261 0.799 20 0 DCADMM O=C([O-])c1ccc(CC(=O)NCCN2CCCOCC2)cn1 ZINC001608362808 1170658263 /nfs/dbraw/zinc/65/82/63/1170658263.db2.gz SRVCIRMFCWDROF-UHFFFAOYSA-N -1 1 307.350 0.161 20 0 DCADMM O=C(Cc1n[nH]c2c1CCCC2)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001608372008 1170661111 /nfs/dbraw/zinc/66/11/11/1170661111.db2.gz CQMVQFPJJVZHTH-HZMBPMFUSA-N -1 1 321.377 0.970 20 0 DCADMM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)C1CN([C@@H]2CCOC2)C1 ZINC001608390569 1170666762 /nfs/dbraw/zinc/66/67/62/1170666762.db2.gz AHKZLJTZDACYIX-RKDXNWHRSA-N -1 1 310.272 0.229 20 0 DCADMM O=C([O-])C1(CS(=O)(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC001608570016 1170702946 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/nfs/dbraw/zinc/27/30/26/958273026.db2.gz OTWDCMAMEOAPEH-NSHDSACASA-N -1 1 305.342 0.906 20 0 DCADMM CC[C@@H](NC(C)=O)C(=O)Nc1[n-]c(C(=O)OC)cc1C(C)=O ZINC001361756567 958293471 /nfs/dbraw/zinc/29/34/71/958293471.db2.gz BFRWTCNLFWWHFQ-SNVBAGLBSA-N -1 1 309.322 0.857 20 0 DCADMM Cc1cn2nnc(C(=O)[N-]c3cccc4nonc43)c2c(=O)[nH]1 ZINC001297692592 958314163 /nfs/dbraw/zinc/31/41/63/958314163.db2.gz AHZWLKAVRQPQCB-UHFFFAOYSA-N -1 1 311.261 0.927 20 0 DCADMM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc([O-])c1F ZINC001361810441 958359262 /nfs/dbraw/zinc/35/92/62/958359262.db2.gz YTBQAGXYYJDCJR-SECBINFHSA-N -1 1 310.281 0.035 20 0 DCADMM CC(C)NC(=O)c1ccc(NC(=O)CCc2nn[n-]n2)cc1 ZINC001361822785 958369614 /nfs/dbraw/zinc/36/96/14/958369614.db2.gz BAXCONZQNRCRHP-UHFFFAOYSA-N -1 1 302.338 0.909 20 0 DCADMM COc1ccc(NC(C)=O)c(NC(=O)CCc2nn[n-]n2)c1 ZINC001361855891 958410126 /nfs/dbraw/zinc/41/01/26/958410126.db2.gz OWZJHCVXVOVMQA-UHFFFAOYSA-N -1 1 304.310 0.738 20 0 DCADMM NC(=O)N1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC001361888696 958450288 /nfs/dbraw/zinc/45/02/88/958450288.db2.gz RTMIOUIQNCXDEP-UHFFFAOYSA-N -1 1 305.338 0.286 20 0 DCADMM C[C@]1(NC(=O)c2cnc(C3CC3)[n-]c2=O)CCS(=O)(=O)C1 ZINC001361892131 958456825 /nfs/dbraw/zinc/45/68/25/958456825.db2.gz SQGOXQZXMFNSRV-ZDUSSCGKSA-N -1 1 311.363 0.367 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC001361894346 958459071 /nfs/dbraw/zinc/45/90/71/958459071.db2.gz POBCBOSVOOQHBY-QMMMGPOBSA-N -1 1 310.379 0.563 20 0 DCADMM CS(=O)(=O)[C@H]1CSCCN1C(=O)c1ccc([O-])cn1 ZINC001361914778 958481673 /nfs/dbraw/zinc/48/16/73/958481673.db2.gz QMSCKWNLPQWNKU-JTQLQIEISA-N -1 1 302.377 0.347 20 0 DCADMM C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1ccsc1 ZINC001367783559 958564131 /nfs/dbraw/zinc/56/41/31/958564131.db2.gz PWEIWAGXEUHPIW-VIFPVBQESA-N -1 1 309.395 0.420 20 0 DCADMM C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)c1cccs1 ZINC001367782830 958568031 /nfs/dbraw/zinc/56/80/31/958568031.db2.gz 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Cc1cnc(COCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)o1 ZINC001362209395 958932211 /nfs/dbraw/zinc/93/22/11/958932211.db2.gz OBPQDGSLIFDTJZ-SNVBAGLBSA-N -1 1 306.326 0.419 20 0 DCADMM CN1C[C@@H](NC(=O)c2c([O-])cnc3c(F)cccc32)C(=O)N1 ZINC001362233631 958974660 /nfs/dbraw/zinc/97/46/60/958974660.db2.gz MGEIRFNLEMGOOD-SECBINFHSA-N -1 1 304.281 0.155 20 0 DCADMM O=C(Cc1ccc(O)c(Cl)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001362245691 958994272 /nfs/dbraw/zinc/99/42/72/958994272.db2.gz MCLAYKIWFGWMDP-LLVKDONJSA-N -1 1 323.740 0.701 20 0 DCADMM Cc1ccccc1CC(=O)NC[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001376864271 959012618 /nfs/dbraw/zinc/01/26/18/959012618.db2.gz OPHRYHRZSMVOQC-LLVKDONJSA-N -1 1 303.366 0.656 20 0 DCADMM C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001362273230 959049346 /nfs/dbraw/zinc/04/93/46/959049346.db2.gz XCSQPIOFVYMXCX-QMMMGPOBSA-N -1 1 313.379 0.565 20 0 DCADMM CO[C@H](C(=O)NCCCNC(=O)c1ncccc1[O-])C1CC1 ZINC001491679115 959124673 /nfs/dbraw/zinc/12/46/73/959124673.db2.gz 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Cc1nc(CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)n[nH]1 ZINC001594442068 959287492 /nfs/dbraw/zinc/28/74/92/959287492.db2.gz YTTQVRGFBSQUCC-OAHLLOKOSA-N -1 1 317.349 0.955 20 0 DCADMM Cc1nnc(SCC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])[nH]1 ZINC001594442137 959287596 /nfs/dbraw/zinc/28/75/96/959287596.db2.gz JCNLOPQNJIXPMM-SNVBAGLBSA-N -1 1 321.362 0.412 20 0 DCADMM Cc1n[nH]c(SCC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])n1 ZINC001594442137 959287605 /nfs/dbraw/zinc/28/76/05/959287605.db2.gz JCNLOPQNJIXPMM-SNVBAGLBSA-N -1 1 321.362 0.412 20 0 DCADMM COc1ccnc(OC)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001362408069 959294021 /nfs/dbraw/zinc/29/40/21/959294021.db2.gz QDMLRSYAWYAIFB-SECBINFHSA-N -1 1 318.337 0.632 20 0 DCADMM CC(=O)Nc1cnccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001362408209 959295195 /nfs/dbraw/zinc/29/51/95/959295195.db2.gz RCEHWTQNQUTCKT-SNVBAGLBSA-N -1 1 315.337 0.573 20 0 DCADMM O=C(N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CCCC1)[C@@H]1CCOC1 ZINC001368133038 959306061 /nfs/dbraw/zinc/30/60/61/959306061.db2.gz 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QSJUQQVYMBAEHO-SCZZXKLOSA-N -1 1 315.351 0.042 20 0 DCADMM COC[C@@H](NC(=O)c1ccc(OC(F)F)nc1)c1nn[n-]n1 ZINC001364031073 962329120 /nfs/dbraw/zinc/32/91/20/962329120.db2.gz NBNASVBPOQCTBC-SSDOTTSWSA-N -1 1 314.252 0.314 20 0 DCADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364036291 962342751 /nfs/dbraw/zinc/34/27/51/962342751.db2.gz WCWMGIBEMWRKNN-KATARQTJSA-N -1 1 313.379 0.056 20 0 DCADMM COC[C@@H](NC(=O)[C@H]1CCc2ccccc2O1)c1nn[n-]n1 ZINC001364039110 962348207 /nfs/dbraw/zinc/34/82/07/962348207.db2.gz WNIHVJRGFWPDIO-ZYHUDNBSSA-N -1 1 303.322 0.397 20 0 DCADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCN2C2CCCC2)n1 ZINC001364049529 962370306 /nfs/dbraw/zinc/37/03/06/962370306.db2.gz NDFTXUNCLUEZHJ-SECBINFHSA-N -1 1 313.383 0.164 20 0 DCADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCN2C2CCCC2)[n-]1 ZINC001364049529 962370325 /nfs/dbraw/zinc/37/03/25/962370325.db2.gz NDFTXUNCLUEZHJ-SECBINFHSA-N -1 1 313.383 0.164 20 0 DCADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCOCC1 ZINC001364056176 962379965 /nfs/dbraw/zinc/37/99/65/962379965.db2.gz VUKDRBGKXURNPF-QWRGUYRKSA-N -1 1 315.395 0.906 20 0 DCADMM O=C(c1ccc(F)c([O-])c1)N1CCO[C@H](Cn2ccnn2)C1 ZINC001364095751 962463210 /nfs/dbraw/zinc/46/32/10/962463210.db2.gz SBJWWYODKCDOCH-NSHDSACASA-N -1 1 306.297 0.664 20 0 DCADMM COC(=O)c1c(NC(=O)c2cc(C)no2)n[n-]c1OCCO ZINC001364100039 962469194 /nfs/dbraw/zinc/46/91/94/962469194.db2.gz CEWLGTTYIJJRTA-UHFFFAOYSA-N -1 1 310.266 0.116 20 0 DCADMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)c1cc(C)no1 ZINC001364100039 962469204 /nfs/dbraw/zinc/46/92/04/962469204.db2.gz CEWLGTTYIJJRTA-UHFFFAOYSA-N -1 1 310.266 0.116 20 0 DCADMM C[C@H](CN(C)C(=O)Cc1ccccc1F)NCc1n[nH]c(=O)[n-]1 ZINC001379308556 962594345 /nfs/dbraw/zinc/59/43/45/962594345.db2.gz HHTHJEXUIHSIOE-SNVBAGLBSA-N -1 1 321.356 0.829 20 0 DCADMM COC(=O)c1cc(N2CCC[C@H](c3n[n-]c(=O)o3)C2)ncn1 ZINC001364172037 962607104 /nfs/dbraw/zinc/60/71/04/962607104.db2.gz QUBZYHIJURLJGQ-QMMMGPOBSA-N -1 1 305.294 0.736 20 0 DCADMM CN=[S@](C)(=O)CCNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC001364177550 962616199 /nfs/dbraw/zinc/61/61/99/962616199.db2.gz HQDCOMMVPDFWAG-HXUWFJFHSA-N -1 1 318.424 0.670 20 0 DCADMM CCCn1nnnc1CNC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001379349480 962686426 /nfs/dbraw/zinc/68/64/26/962686426.db2.gz RBUXLEPIQJCXAS-SNVBAGLBSA-N -1 1 319.369 0.092 20 0 DCADMM C[C@@]1(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)CCNC(=O)C1 ZINC001364248232 962748372 /nfs/dbraw/zinc/74/83/72/962748372.db2.gz FIHIHRNPWFMWRN-IUODEOHRSA-N -1 1 314.349 0.322 20 0 DCADMM O=C(CO)NCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001364261474 962769745 /nfs/dbraw/zinc/76/97/45/962769745.db2.gz FXZYDQUDBSOHJI-UHFFFAOYSA-N -1 1 304.306 0.015 20 0 DCADMM COc1ccc(C(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)cc1C ZINC001379432343 962912214 /nfs/dbraw/zinc/91/22/14/962912214.db2.gz NIIRMXHCGQOULP-SNVBAGLBSA-N -1 1 319.365 0.735 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cnoc1C1CC1 ZINC001379574435 963203023 /nfs/dbraw/zinc/20/30/23/963203023.db2.gz RYXBUSUGWUUMJO-ZETCQYMHSA-N -1 1 306.326 0.284 20 0 DCADMM C[C@H]1[C@H](NC(=O)CCC2CC2)CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001379623666 963283565 /nfs/dbraw/zinc/28/35/65/963283565.db2.gz ASWMSYHTESQLBK-WCQYABFASA-N -1 1 321.425 0.768 20 0 DCADMM COC[C@@H](C)C(=O)N[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001379628308 963290621 /nfs/dbraw/zinc/29/06/21/963290621.db2.gz BNBCXOLWBZTBHI-BDJLRTHQSA-N -1 1 321.377 0.791 20 0 DCADMM Cn1c(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000314104546 963711710 /nfs/dbraw/zinc/71/17/10/963711710.db2.gz MGCQSSPYUUGVSL-QMMMGPOBSA-N -1 1 307.266 0.082 20 0 DCADMM COC[C@@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001447519618 1013447285 /nfs/dbraw/zinc/44/72/85/1013447285.db2.gz VLQRHHWJFYCJAO-MXWKQRLJSA-N -1 1 307.350 0.447 20 0 DCADMM CO[C@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])no2)C1(C)C ZINC000315478880 963906664 /nfs/dbraw/zinc/90/66/64/963906664.db2.gz VUGZRENSUBYFEU-YUMQZZPRSA-N -1 1 304.324 0.465 20 0 DCADMM CCCNC(=O)CN(C)C(=O)CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC000315827888 963940158 /nfs/dbraw/zinc/94/01/58/963940158.db2.gz CZEFUSWKAIRSDB-OAHLLOKOSA-N -1 1 313.398 0.158 20 0 DCADMM CC(C)c1nocc1C(=O)N[C@H](C)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001381387275 964043620 /nfs/dbraw/zinc/04/36/20/964043620.db2.gz IVNAFQPRFMXUJF-DTWKUNHWSA-N -1 1 322.369 0.918 20 0 DCADMM CCn1nccc1C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001375222475 964144351 /nfs/dbraw/zinc/14/43/51/964144351.db2.gz ZAEVACXGIXMLRA-SNVBAGLBSA-N -1 1 319.369 0.025 20 0 DCADMM O=C(N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1C[C@@H]1C(F)F ZINC001375229668 964155808 /nfs/dbraw/zinc/15/58/08/964155808.db2.gz XOHBRTUYGAZINC-CIUDSAMLSA-N -1 1 315.324 0.396 20 0 DCADMM C[C@H](CNC(=O)CCC(C)(F)F)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001368956212 964188235 /nfs/dbraw/zinc/18/82/35/964188235.db2.gz QGQZUBKPHJUHQN-SECBINFHSA-N -1 1 319.356 0.480 20 0 DCADMM CON(C)C(=O)[C@@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001605140537 1169840061 /nfs/dbraw/zinc/84/00/61/1169840061.db2.gz FTSLTWKZNBASRO-ZCFIWIBFSA-N -1 1 310.339 0.066 20 0 DCADMM CCCCC(=O)N(CC)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001373705094 964501127 /nfs/dbraw/zinc/50/11/27/964501127.db2.gz PDXTYPHTMOSACP-LBPRGKRZSA-N -1 1 309.414 0.721 20 0 DCADMM CC[C@@H](CNC(=O)c1ccncc1F)NCc1n[nH]c(=O)[n-]1 ZINC001373735658 964546031 /nfs/dbraw/zinc/54/60/31/964546031.db2.gz MTLKMUYKXREADG-QMMMGPOBSA-N -1 1 308.317 0.343 20 0 DCADMM CCC[C@H](C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001375648698 964663379 /nfs/dbraw/zinc/66/33/79/964663379.db2.gz SUUPLWMZGNVHAO-TUAOUCFPSA-N -1 1 309.414 0.624 20 0 DCADMM COC[C@H](C)C(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001373839802 964699205 /nfs/dbraw/zinc/69/92/05/964699205.db2.gz MXWOENULXUXZLC-JTQLQIEISA-N -1 1 311.386 0.311 20 0 DCADMM CCO[C@@H]1C[C@@H]1C(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001373840222 964702737 /nfs/dbraw/zinc/70/27/37/964702737.db2.gz QEQRKFQVBFNOCU-WDEREUQCSA-N -1 1 323.397 0.454 20 0 DCADMM C[C@@](CNCc1n[nH]c(=O)[n-]1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001373872970 964739358 /nfs/dbraw/zinc/73/93/58/964739358.db2.gz DBMZYHSSISMONR-UFBFGSQYSA-N -1 1 315.324 0.540 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CCc1c[nH]cn1 ZINC001430512339 1013538462 /nfs/dbraw/zinc/53/84/62/1013538462.db2.gz WKMXXAJIZDSPGR-SNVBAGLBSA-N -1 1 317.349 0.378 20 0 DCADMM CC(C)[C@H](CNC(=O)c1cnco1)NC(=O)c1ncccc1[O-] ZINC001376047411 965132871 /nfs/dbraw/zinc/13/28/71/965132871.db2.gz QRVHOJPLCKEDGS-JTQLQIEISA-N -1 1 318.333 0.960 20 0 DCADMM CSCC(=O)NCC1CC(NC(=O)c2ncccc2[O-])C1 ZINC001369625749 965226505 /nfs/dbraw/zinc/22/65/05/965226505.db2.gz NTBGFUISCPCFSL-UHFFFAOYSA-N -1 1 309.391 0.775 20 0 DCADMM Cc1nc(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)CC(C)C)co1 ZINC001374346327 965304777 /nfs/dbraw/zinc/30/47/77/965304777.db2.gz AWPVVALXWIINFF-JTQLQIEISA-N -1 1 322.369 0.741 20 0 DCADMM Cc1cc(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])on1 ZINC001369827489 965460143 /nfs/dbraw/zinc/46/01/43/965460143.db2.gz HRSNARMHKDLMLB-SNVBAGLBSA-N -1 1 318.333 0.974 20 0 DCADMM CC[C@@H](CNC(=O)c1ccnn1C)NC(=O)c1ncccc1[O-] ZINC001430552017 1013577823 /nfs/dbraw/zinc/57/78/23/1013577823.db2.gz TYDCXIAHRUAFFZ-JTQLQIEISA-N -1 1 317.349 0.459 20 0 DCADMM Cc1c[nH]c(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001430558883 1013585172 /nfs/dbraw/zinc/58/51/72/1013585172.db2.gz AZSBRHPTZURYFP-VIFPVBQESA-N -1 1 303.322 0.367 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1snnc1C1CC1 ZINC001374899498 966113260 /nfs/dbraw/zinc/11/32/60/966113260.db2.gz WSXXREXUOSCHCK-LURJTMIESA-N -1 1 323.382 0.147 20 0 DCADMM CCC1(C(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001374953982 966172188 /nfs/dbraw/zinc/17/21/88/966172188.db2.gz RICIAJFDUIOZJU-JTQLQIEISA-N -1 1 311.386 0.311 20 0 DCADMM CC[C@@H](CNC(=O)c1csnn1)NC(=O)c1ncccc1[O-] ZINC001430647274 1013646043 /nfs/dbraw/zinc/64/60/43/1013646043.db2.gz KDUKCYJPSWWULS-QMMMGPOBSA-N -1 1 321.362 0.577 20 0 DCADMM COCCC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001370903171 966576659 /nfs/dbraw/zinc/57/66/59/966576659.db2.gz GTLLTHKRYLNWHR-NEPJUHHUSA-N -1 1 321.377 0.933 20 0 DCADMM CO[C@H](C)CC(=O)NC1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001371178216 966784539 /nfs/dbraw/zinc/78/45/39/966784539.db2.gz XJEQVLRGZGOPEU-VOMCLLRMSA-N -1 1 321.377 0.931 20 0 DCADMM CCn1ccc(CN[C@@H](C)CN(C)C(=O)c2n[nH]c(C)c2[O-])n1 ZINC001382054402 966895681 /nfs/dbraw/zinc/89/56/81/966895681.db2.gz ITLXOALQLOAAJB-JTQLQIEISA-N -1 1 320.397 0.890 20 0 DCADMM Cc1ccc(CC(=O)N(C)C[C@H](C)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001382104943 966943839 /nfs/dbraw/zinc/94/38/39/966943839.db2.gz WKCIBDAKVUTJPM-LBPRGKRZSA-N -1 1 317.393 0.998 20 0 DCADMM C[C@@H](CN(C)C(=O)CCc1cncs1)NCc1n[nH]c(=O)[n-]1 ZINC001382118519 966953498 /nfs/dbraw/zinc/95/34/98/966953498.db2.gz IOJIIGXYHOHVOE-VIFPVBQESA-N -1 1 324.410 0.536 20 0 DCADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)NCc1n[nH]c(=O)[n-]1 ZINC001371446467 966997965 /nfs/dbraw/zinc/99/79/65/966997965.db2.gz ZBQPXOHGLRDFNJ-JTQLQIEISA-N -1 1 318.381 0.484 20 0 DCADMM C[C@H](CNC(=O)Cc1ccccc1F)NCc1n[nH]c(=O)[n-]1 ZINC001371447883 967000324 /nfs/dbraw/zinc/00/03/24/967000324.db2.gz PNDMDBSXGHHZDR-SECBINFHSA-N -1 1 307.329 0.486 20 0 DCADMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccccn1 ZINC001382512531 967457698 /nfs/dbraw/zinc/45/76/98/967457698.db2.gz VWFLCXYAQITTNI-LLVKDONJSA-N -1 1 318.381 0.840 20 0 DCADMM CC1(CCC(=O)NC[C@@H](CO)NC(=O)c2ncccc2[O-])CC1 ZINC001382606055 967537332 /nfs/dbraw/zinc/53/73/32/967537332.db2.gz VEGPAINRVVXPHE-NSHDSACASA-N -1 1 321.377 0.574 20 0 DCADMM C[C@@H](NC(=O)c1cnco1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001382762279 967653446 /nfs/dbraw/zinc/65/34/46/967653446.db2.gz GJUSQCWDLWYRIO-BDAKNGLRSA-N -1 1 304.306 0.712 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccn(C)c1 ZINC001372837239 968444512 /nfs/dbraw/zinc/44/45/12/968444512.db2.gz SOOIHKYWROEGNJ-SNVBAGLBSA-N -1 1 302.334 0.674 20 0 DCADMM C[C@H](CC(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1)C1CC1 ZINC001372900127 968514849 /nfs/dbraw/zinc/51/48/49/968514849.db2.gz CTVHOEAXLPJXBT-LLVKDONJSA-N -1 1 321.425 0.625 20 0 DCADMM COCCC(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001373227954 968826044 /nfs/dbraw/zinc/82/60/44/968826044.db2.gz LPCPYVVSAFBOHV-GFCCVEGCSA-N -1 1 321.377 0.887 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001373350791 968966508 /nfs/dbraw/zinc/96/65/08/968966508.db2.gz HOYWBCBRGLEESD-GXSJLCMTSA-N -1 1 318.377 0.904 20 0 DCADMM Cc1c[nH]nc1C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001373413002 969059801 /nfs/dbraw/zinc/05/98/01/969059801.db2.gz DULIYNNYBJSINT-UHFFFAOYSA-N -1 1 303.322 0.321 20 0 DCADMM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC[C@H](C)O)c1[O-] ZINC001373564827 969237835 /nfs/dbraw/zinc/23/78/35/969237835.db2.gz FADIKHCFUQIYRU-DLOVCJGASA-N -1 1 308.382 0.483 20 0 DCADMM COCC(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001448387370 1013891052 /nfs/dbraw/zinc/89/10/52/1013891052.db2.gz JRTZCBKTKHUTBD-NSHDSACASA-N -1 1 307.350 0.497 20 0 DCADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccon1 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DCADMM CC[C@H](C)[C@@H](NC(=O)C[N@@H+](CC(=O)[O-])C1CCC1)C(=O)[O-] ZINC001594888037 982278293 /nfs/dbraw/zinc/27/82/93/982278293.db2.gz YAXUVPYVOKEEBD-TVQRCGJNSA-N -1 1 300.355 0.541 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@]1(C)C(=O)[O-])C(=O)[O-] ZINC001594889481 982281525 /nfs/dbraw/zinc/28/15/25/982281525.db2.gz DVUFZXVSYBEPEZ-NURSFMCSSA-N -1 1 300.355 0.541 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@]1(C)C(=O)[O-])C(=O)[O-] ZINC001594889481 982281536 /nfs/dbraw/zinc/28/15/36/982281536.db2.gz DVUFZXVSYBEPEZ-NURSFMCSSA-N -1 1 300.355 0.541 20 0 DCADMM CC[C@H](C)C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594936784 982595824 /nfs/dbraw/zinc/59/58/24/982595824.db2.gz ODWJQBYRZWHTJL-YUMQZZPRSA-N -1 1 306.340 0.448 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC001573992032 983151140 /nfs/dbraw/zinc/15/11/40/983151140.db2.gz DADRELGTTXVLDB-CHWSQXEVSA-N -1 1 308.334 0.717 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001573992286 983151524 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CCN1CC[C@@H](N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001596408326 983982541 /nfs/dbraw/zinc/98/25/41/983982541.db2.gz AZYPFAGEEMICSP-CMPLNLGQSA-N -1 1 307.354 0.234 20 0 DCADMM CCN1CCC[C@@H]1CNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001596421385 984055397 /nfs/dbraw/zinc/05/53/97/984055397.db2.gz JLUJOIOPFJZEKN-SNVBAGLBSA-N -1 1 313.379 0.542 20 0 DCADMM CCOCCCn1c(Cc2nnn[n-]2)nnc1N(C)CC1CC1 ZINC001524573763 1015017163 /nfs/dbraw/zinc/01/71/63/1015017163.db2.gz FNQQTRZKOLCCJQ-UHFFFAOYSA-N -1 1 320.401 0.655 20 0 DCADMM CCOCCCn1c(Cc2nn[n-]n2)nnc1N(C)CC1CC1 ZINC001524573763 1015017172 /nfs/dbraw/zinc/01/71/72/1015017172.db2.gz FNQQTRZKOLCCJQ-UHFFFAOYSA-N -1 1 320.401 0.655 20 0 DCADMM CCNS(=O)(=O)CCNCc1ccc(C(=O)[O-])c(F)c1 ZINC001596495671 984240117 /nfs/dbraw/zinc/24/01/17/984240117.db2.gz GGJCZBQNUSNONZ-UHFFFAOYSA-N -1 1 304.343 0.553 20 0 DCADMM CCNS(=O)(=O)[C@@H]1CCN(C[C@H]2CC(C(=O)[O-])=C(C)O2)C1 ZINC001596495785 984240345 /nfs/dbraw/zinc/24/03/45/984240345.db2.gz 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321.377 0.648 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC001450488633 1015171592 /nfs/dbraw/zinc/17/15/92/1015171592.db2.gz CMQWQWFTPYTDSJ-UHFFFAOYSA-N -1 1 302.294 0.249 20 0 DCADMM Cc1[nH]nc2ncc(C(=O)N3CCN(C)C[C@H](C(=O)[O-])C3)cc12 ZINC001599968408 985955717 /nfs/dbraw/zinc/95/57/17/985955717.db2.gz BZTAJGSSBKGEQK-NSHDSACASA-N -1 1 317.349 0.355 20 0 DCADMM CCC[C@@H](OC)C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385073961 986067167 /nfs/dbraw/zinc/06/71/67/986067167.db2.gz DGPXHGNJHCBIJW-CYBMUJFWSA-N -1 1 321.377 0.887 20 0 DCADMM C[C@H]1CN(CCCOC(=O)c2cc(C(=O)[O-])nn2C)CCO1 ZINC001594527544 986080231 /nfs/dbraw/zinc/08/02/31/986080231.db2.gz MBUUKUZZHGWQGP-JTQLQIEISA-N -1 1 311.338 0.386 20 0 DCADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1cnccn1 ZINC001589360004 986365437 /nfs/dbraw/zinc/36/54/37/986365437.db2.gz GRYMAGMNPGIYCS-VXGBXAGGSA-N -1 1 306.366 0.588 20 0 DCADMM CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)CCCC(=O)[O-] ZINC001589372978 986420052 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CO[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)C ZINC001385736926 986560272 /nfs/dbraw/zinc/56/02/72/986560272.db2.gz PDKMTKUIHTYHGQ-RISCZKNCSA-N -1 1 321.377 0.789 20 0 DCADMM C[C@H]1COCCN1C1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001594606826 986568906 /nfs/dbraw/zinc/56/89/06/986568906.db2.gz GHQRRJSDGHEIAY-FPMFFAJLSA-N -1 1 310.394 0.809 20 0 DCADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@H](O)C1 ZINC001589414243 986628730 /nfs/dbraw/zinc/62/87/30/986628730.db2.gz CFBDZVWKGGPVGK-FZMZJTMJSA-N -1 1 306.362 0.846 20 0 DCADMM C[C@H](C(=O)NCc1ccc(F)cc1)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001589414888 986639541 /nfs/dbraw/zinc/63/95/41/986639541.db2.gz HHISGNJTDGACHU-MPKXVKKWSA-N -1 1 324.352 0.598 20 0 DCADMM C[C@H](C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])N(C)CC(F)(F)F ZINC001589424120 986687476 /nfs/dbraw/zinc/68/74/76/986687476.db2.gz YJMWZZOQTSWONJ-VXNVDRBHSA-N -1 1 322.287 0.404 20 0 DCADMM CC(C)OCCC(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001386237147 986983910 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CCn1ccc(C(=O)NCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001386878570 987474131 /nfs/dbraw/zinc/47/41/31/987474131.db2.gz JLHUGYDKVRVLHG-UHFFFAOYSA-N -1 1 317.349 0.506 20 0 DCADMM CCc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)nn1C ZINC001597427809 987759663 /nfs/dbraw/zinc/75/96/63/987759663.db2.gz MRSWTEZRYNMKKS-NSHDSACASA-N -1 1 308.382 0.604 20 0 DCADMM CO[C@@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387614027 987941689 /nfs/dbraw/zinc/94/16/89/987941689.db2.gz PJESZLFQUBQICF-NWDGAFQWSA-N -1 1 321.377 0.743 20 0 DCADMM CCc1ccc(CN(CCN2CCN(C)CC2)CC(=O)[O-])o1 ZINC001597526286 988171279 /nfs/dbraw/zinc/17/12/79/988171279.db2.gz SCDQCTSJUHBOOA-UHFFFAOYSA-N -1 1 309.410 0.976 20 0 DCADMM CC(C)(C)OC(=O)C1(C(=O)N2CCN(CC(=O)[O-])CC2)CC1 ZINC001589849378 988374103 /nfs/dbraw/zinc/37/41/03/988374103.db2.gz UCWRXQYZKBLHEJ-UHFFFAOYSA-N -1 1 312.366 0.337 20 0 DCADMM O=C(NCCN(C(=O)c1ncccc1[O-])C1CC1)c1cnon1 ZINC001388674807 988501102 /nfs/dbraw/zinc/50/11/02/988501102.db2.gz DHBUUJIOTAGFHU-UHFFFAOYSA-N -1 1 317.305 0.205 20 0 DCADMM C[C@@H](CCNC(=O)c1[nH]ncc1F)Nc1ncc(C(=O)[O-])cn1 ZINC001599836055 988744597 /nfs/dbraw/zinc/74/45/97/988744597.db2.gz ZDRMDGOZMQZIBN-ZETCQYMHSA-N -1 1 322.300 0.658 20 0 DCADMM C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC001599844643 988911612 /nfs/dbraw/zinc/91/16/12/988911612.db2.gz SFLPDUGYNCMUGM-XBFCOCLRSA-N -1 1 306.362 0.601 20 0 DCADMM COC[C@@H](C)[C@H](C)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001389234385 989010046 /nfs/dbraw/zinc/01/00/46/989010046.db2.gz JEJJYVLTOMVUQJ-MNOVXSKESA-N -1 1 321.377 0.646 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC(=O)c1ncccc1[O-] ZINC001389328540 989125714 /nfs/dbraw/zinc/12/57/14/989125714.db2.gz PHGVWBAJXKZHRI-WGBDABJCSA-N -1 1 319.361 0.589 20 0 DCADMM C[C@@H]1CN(C(=O)NCc2n[nH]c(C(C)(C)C)n2)C[C@H]1C(=O)[O-] ZINC001599858606 989129404 /nfs/dbraw/zinc/12/94/04/989129404.db2.gz QWWPDLSVKRPPNW-RKDXNWHRSA-N -1 1 309.370 0.964 20 0 DCADMM CCO[C@H](CC)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001389637272 989452197 /nfs/dbraw/zinc/45/21/97/989452197.db2.gz DOJHTLNVPWMPMY-WCQYABFASA-N -1 1 321.377 0.933 20 0 DCADMM C[C@@H]1[C@H](O)CCN1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001599883552 989518739 /nfs/dbraw/zinc/51/87/39/989518739.db2.gz SIVNCDUDZUUSNS-KCPJHIHWSA-N -1 1 318.373 0.480 20 0 DCADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1cn(C)cn1 ZINC001451004899 1015524263 /nfs/dbraw/zinc/52/42/63/1015524263.db2.gz GSESZKYZQGTYOB-SNVBAGLBSA-N -1 1 317.349 0.411 20 0 DCADMM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001597998726 990128068 /nfs/dbraw/zinc/12/80/68/990128068.db2.gz SPQAJXBFZUEESL-GHMZBOCLSA-N -1 1 320.349 0.193 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CCCC(F)(F)C1)NCc1n[nH]c(=O)[n-]1 ZINC001390470245 990130045 /nfs/dbraw/zinc/13/00/45/990130045.db2.gz CCTYOMVHWSXRKQ-BDAKNGLRSA-N -1 1 317.340 0.930 20 0 DCADMM CC(C)(C)c1nnc(COC(=O)Cn2cc(C(=O)[O-])nn2)[nH]1 ZINC001590542514 990172814 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/nfs/dbraw/zinc/97/70/82/1009977082.db2.gz ZQPKKOUOOOZFRD-SECBINFHSA-N -1 1 315.395 0.120 20 0 DCADMM CC(C)c1oncc1C(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001422397253 1010018823 /nfs/dbraw/zinc/01/88/23/1010018823.db2.gz JOMKHEYFFUBUAV-BDAKNGLRSA-N -1 1 322.369 0.918 20 0 DCADMM Cn1cc(S(=O)(=O)[N-]C(C)(C)CC(C)(C)C)c(=O)[nH]c1=O ZINC001434540976 1010070317 /nfs/dbraw/zinc/07/03/17/1010070317.db2.gz FKKHRPWBSWHGEP-UHFFFAOYSA-N -1 1 317.411 0.979 20 0 DCADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ncc[nH]1)c1ccccc1F ZINC001434558009 1010085784 /nfs/dbraw/zinc/08/57/84/1010085784.db2.gz QYYSFZSQPAONTA-SNVBAGLBSA-N -1 1 313.310 0.741 20 0 DCADMM Cc1conc1CS(=O)(=O)[N-][C@H]1Cc2ccccc2NC1=O ZINC001434584759 1010118892 /nfs/dbraw/zinc/11/88/92/1010118892.db2.gz IOVCZBOELHPKRN-LBPRGKRZSA-N -1 1 321.358 0.966 20 0 DCADMM COc1nscc1S(=O)(=O)[N-][C@H]1CCCN(C)C1=O ZINC001434587836 1010120977 /nfs/dbraw/zinc/12/09/77/1010120977.db2.gz JZDLVGFEXDORIT-ZETCQYMHSA-N -1 1 305.381 0.051 20 0 DCADMM COC(=O)C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(C)(C)C ZINC001434634295 1010147465 /nfs/dbraw/zinc/14/74/65/1010147465.db2.gz IAOYRSUXVMWQSP-MRVPVSSYSA-N -1 1 314.429 0.526 20 0 DCADMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)COC ZINC001443120504 1010155533 /nfs/dbraw/zinc/15/55/33/1010155533.db2.gz WNQJBWRNIDCGEP-NSHDSACASA-N -1 1 309.366 0.838 20 0 DCADMM O=C(NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccn1 ZINC001443213679 1010228667 /nfs/dbraw/zinc/22/86/67/1010228667.db2.gz RSBVNKOLBSEREO-NSHDSACASA-N -1 1 316.365 0.547 20 0 DCADMM CO[C@@H](C(=O)N[C@@H](C)CNCc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC001422733779 1010543554 /nfs/dbraw/zinc/54/35/54/1010543554.db2.gz BRDBFMUNVWJJEW-JOYOIKCWSA-N -1 1 311.386 0.310 20 0 DCADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCn3ccnc32)c1 ZINC001475321741 1017091758 /nfs/dbraw/zinc/09/17/58/1017091758.db2.gz YIRDDLUJRGDWOF-SECBINFHSA-N -1 1 311.319 0.686 20 0 DCADMM CCC(C)(C)CC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001443678102 1010582427 /nfs/dbraw/zinc/58/24/27/1010582427.db2.gz WWPDTSHXCKGYNY-UHFFFAOYSA-N -1 1 309.414 0.483 20 0 DCADMM CC[C@@H](CNC(=O)c1ccc(C)[nH]c1=O)NCc1n[nH]c(=O)[n-]1 ZINC001444001807 1010796401 /nfs/dbraw/zinc/79/64/01/1010796401.db2.gz GEOVAIUMVWKFHO-VIFPVBQESA-N -1 1 320.353 0.218 20 0 DCADMM CCCC[C@H](C)C(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001444150668 1010882909 /nfs/dbraw/zinc/88/29/09/1010882909.db2.gz HBLUUSOCTGOZLQ-RYUDHWBXSA-N -1 1 323.393 0.820 20 0 DCADMM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)CCCc2nn[n-]n2)C1 ZINC001444203470 1010904799 /nfs/dbraw/zinc/90/47/99/1010904799.db2.gz ATRFRLDXRXOCRT-MNOVXSKESA-N -1 1 308.386 0.286 20 0 DCADMM CCc1ncc(C(=O)N(C)C[C@H](C)NCc2n[nH]c(=O)[n-]2)s1 ZINC001423189373 1010959424 /nfs/dbraw/zinc/95/94/24/1010959424.db2.gz VNERGYABQPZXKS-QMMMGPOBSA-N -1 1 324.410 0.780 20 0 DCADMM C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)COCC1CC1 ZINC001423337101 1011086726 /nfs/dbraw/zinc/08/67/26/1011086726.db2.gz NDMYFCOZMMIMIM-MWLCHTKSSA-N -1 1 309.370 0.016 20 0 DCADMM O=C(N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1)C1(CCF)CC1 ZINC001423486361 1011181427 /nfs/dbraw/zinc/18/14/27/1011181427.db2.gz PWLZBOHURNWORK-JTQLQIEISA-N -1 1 311.361 0.731 20 0 DCADMM C[C@H](NC(=O)CCc1nn[n-]n1)c1nc(C(F)(F)F)n[nH]1 ZINC001456401652 1011242208 /nfs/dbraw/zinc/24/22/08/1011242208.db2.gz UUHPFVPIFCNMFM-BYPYZUCNSA-N -1 1 304.236 0.147 20 0 DCADMM CC(C)N1C(=O)C[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1=O ZINC001445079905 1011385588 /nfs/dbraw/zinc/38/55/88/1011385588.db2.gz KZCTWDONPRIOQZ-JTQLQIEISA-N -1 1 318.333 0.325 20 0 DCADMM CCO[C@H]1C[C@@H]1C(=O)NCCN(CC)C(=O)c1ncccc1[O-] ZINC001431591686 1011433291 /nfs/dbraw/zinc/43/32/91/1011433291.db2.gz SAPQEWHADOCXPY-AAEUAGOBSA-N -1 1 321.377 0.791 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1cc(=O)c(O)co1 ZINC001456757481 1011442795 /nfs/dbraw/zinc/44/27/95/1011442795.db2.gz YGOBJACRXNLSKV-UHFFFAOYSA-N -1 1 309.303 0.368 20 0 DCADMM O=C(Cc1cc[nH]n1)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001534744468 1011653664 /nfs/dbraw/zinc/65/36/64/1011653664.db2.gz JXHORCRKLNTGSU-LLVKDONJSA-N -1 1 315.333 0.084 20 0 DCADMM CCn1ccnc1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001431806279 1011670654 /nfs/dbraw/zinc/67/06/54/1011670654.db2.gz FKCJAHYYCVVSLT-JTQLQIEISA-N -1 1 317.349 0.552 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H](CO)[C@@H]2CCOC2)c1 ZINC001423893485 1011698288 /nfs/dbraw/zinc/69/82/88/1011698288.db2.gz HSTKESFVBSSRGC-KOLCDFICSA-N -1 1 317.363 0.077 20 0 DCADMM C[C@H](NC(=O)Cc1cc[nH]n1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001423894890 1011699429 /nfs/dbraw/zinc/69/94/29/1011699429.db2.gz YTHFBXCTDMDXLM-UWVGGRQHSA-N -1 1 317.349 0.376 20 0 DCADMM O=S(=O)([N-][C@H](CO)[C@@H]1CCOC1)c1ccc(C(F)F)o1 ZINC001423893594 1011700649 /nfs/dbraw/zinc/70/06/49/1011700649.db2.gz IJCWPEKQKYPVCD-HTQZYQBOSA-N -1 1 311.306 0.893 20 0 DCADMM CC(C)c1ncsc1C(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001445454479 1011786591 /nfs/dbraw/zinc/78/65/91/1011786591.db2.gz MKFDYPFMXCMMPL-MRVPVSSYSA-N -1 1 324.410 0.998 20 0 DCADMM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001457968017 1012004139 /nfs/dbraw/zinc/00/41/39/1012004139.db2.gz KPNPRJAPWPXHMK-GHMZBOCLSA-N -1 1 323.393 0.676 20 0 DCADMM CC(C)c1ocnc1C(=O)NCC1(NC(=O)c2cnn[nH]2)CC1 ZINC001535981725 1012010529 /nfs/dbraw/zinc/01/05/29/1012010529.db2.gz GEOXBSKNAAITTD-UHFFFAOYSA-N -1 1 318.337 0.609 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CCCCO1)N(C)C(=O)c1ncccc1[O-] ZINC001424131487 1012056723 /nfs/dbraw/zinc/05/67/23/1012056723.db2.gz RTFLVURBQDJBLI-YPMHNXCESA-N -1 1 321.377 0.933 20 0 DCADMM O=c1nc(NC[C@@H]2CCCO[C@@H]2c2cc[nH]n2)nc2[nH][n-]cc1-2 ZINC001553710283 1012133527 /nfs/dbraw/zinc/13/35/27/1012133527.db2.gz ABAGWBSZZQJVOH-KWQFWETISA-N -1 1 315.337 0.735 20 0 DCADMM CCc1noc(CN(C)C[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001445709013 1012144946 /nfs/dbraw/zinc/14/49/46/1012144946.db2.gz DRKFJVRULHKDCA-SNVBAGLBSA-N -1 1 319.365 0.983 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CC[C@H]1CCOC1 ZINC001458374634 1012158874 /nfs/dbraw/zinc/15/88/74/1012158874.db2.gz LZHGRJIRGVSMHL-RYUDHWBXSA-N -1 1 321.377 0.838 20 0 DCADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cnc(C)o2)o1 ZINC001424200923 1012161187 /nfs/dbraw/zinc/16/11/87/1012161187.db2.gz JUMQXYROICDBLY-UHFFFAOYSA-N -1 1 300.292 0.841 20 0 DCADMM O=C(Cc1ccc[nH]1)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001424216148 1012182301 /nfs/dbraw/zinc/18/23/01/1012182301.db2.gz MTLMHHXVXXPOAH-UHFFFAOYSA-N -1 1 304.354 0.210 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(CCO)c1 ZINC001556999525 1012249499 /nfs/dbraw/zinc/24/94/99/1012249499.db2.gz QZWJTJSERYNRRL-UHFFFAOYSA-N -1 1 303.318 0.100 20 0 DCADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C1CCCCC1 ZINC001424261483 1012256558 /nfs/dbraw/zinc/25/65/58/1012256558.db2.gz ZEYOVEXWZGBKPN-SECBINFHSA-N -1 1 315.395 0.733 20 0 DCADMM CCc1cc(NC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)n[nH]1 ZINC001557136218 1012260556 /nfs/dbraw/zinc/26/05/56/1012260556.db2.gz WCKLVDWWYFSPFF-UHFFFAOYSA-N -1 1 314.305 0.804 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccnc(CO)c1 ZINC001557722868 1012293032 /nfs/dbraw/zinc/29/30/32/1012293032.db2.gz CYMDLIYKLARZPL-ZDUSSCGKSA-N -1 1 310.317 0.606 20 0 DCADMM O=C(Cc1cnc[nH]1)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001557919730 1012308294 /nfs/dbraw/zinc/30/82/94/1012308294.db2.gz TXWRARNWSMXTAR-LBPRGKRZSA-N -1 1 312.333 0.876 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N2CCCC(F)(F)C2)[n-]n1 ZINC001424335035 1012391162 /nfs/dbraw/zinc/39/11/62/1012391162.db2.gz JDULQCFHYUHMIE-UHFFFAOYSA-N -1 1 309.294 0.616 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N2CCCC(F)(F)C2)n[n-]1 ZINC001424335035 1012391174 /nfs/dbraw/zinc/39/11/74/1012391174.db2.gz JDULQCFHYUHMIE-UHFFFAOYSA-N -1 1 309.294 0.616 20 0 DCADMM CCC[C@H](OC)C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001432382566 1012406813 /nfs/dbraw/zinc/40/68/13/1012406813.db2.gz BIEIGDGTVLKISD-ZDUSSCGKSA-N -1 1 321.377 0.885 20 0 DCADMM Cn1ncc(CCCNC(=O)N=c2ccnc3n(C)[n-]cc2-3)n1 ZINC001562711533 1012495204 /nfs/dbraw/zinc/49/52/04/1012495204.db2.gz FMEIJSMQKCGVFL-UHFFFAOYSA-N -1 1 314.353 0.225 20 0 DCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1C[C@H](OC)C1 ZINC001424566399 1012659638 /nfs/dbraw/zinc/65/96/38/1012659638.db2.gz BGPBYPJRUHNANB-KYZUINATSA-N -1 1 317.367 0.290 20 0 DCADMM COc1ccc([C@H](CCO)NC(=O)CCc2nn[n-]n2)cc1 ZINC001446182052 1012661521 /nfs/dbraw/zinc/66/15/21/1012661521.db2.gz HEMAXYLGHRMDKC-LBPRGKRZSA-N -1 1 305.338 0.381 20 0 DCADMM CC(C)N1C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21 ZINC001548508956 1012672397 /nfs/dbraw/zinc/67/23/97/1012672397.db2.gz QLJAHSXPVNBKGJ-GHMZBOCLSA-N -1 1 304.350 0.804 20 0 DCADMM CO[C@@H](C)C(=O)N[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001459379786 1012693109 /nfs/dbraw/zinc/69/31/09/1012693109.db2.gz RLKMETAVDAVCSK-ZUZCIYMTSA-N -1 1 307.350 0.543 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(NC(C)=O)CCCC1 ZINC001432822884 1012938109 /nfs/dbraw/zinc/93/81/09/1012938109.db2.gz SXTNQJNPWQJFJF-UHFFFAOYSA-N -1 1 324.337 0.075 20 0 DCADMM COc1ccc(CCC(=O)N(C)c2nn[n-]n2)c(OC)c1OC ZINC001461560911 1013027567 /nfs/dbraw/zinc/02/75/67/1013027567.db2.gz ZPNIFAGMXYLHIY-UHFFFAOYSA-N -1 1 321.337 0.821 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCO[C@H]2C2CC2)[n-]n1 ZINC001475662942 1017132812 /nfs/dbraw/zinc/13/28/12/1017132812.db2.gz FVHUKTVBRAHAHO-KCJUWKMLSA-N -1 1 315.351 0.042 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCO[C@H]2C2CC2)n[n-]1 ZINC001475662942 1017132817 /nfs/dbraw/zinc/13/28/17/1017132817.db2.gz FVHUKTVBRAHAHO-KCJUWKMLSA-N -1 1 315.351 0.042 20 0 DCADMM C[C@H](CNC(=O)[C@@]1(C)CCOC1)N(C)C(=O)c1ncccc1[O-] ZINC001509039541 1017161055 /nfs/dbraw/zinc/16/10/55/1017161055.db2.gz QZUNHHFRWOEDHC-BZNIZROVSA-N -1 1 321.377 0.791 20 0 DCADMM CC(C)=CC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001521363804 1017355150 /nfs/dbraw/zinc/35/51/50/1017355150.db2.gz BAWTVALNPDHMTC-YPMHNXCESA-N -1 1 319.361 0.445 20 0 DCADMM CNC(=O)[C@@]1(C)CCN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001521550422 1017393857 /nfs/dbraw/zinc/39/38/57/1017393857.db2.gz 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C[C@H]1CCCN(CCNS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833614225 605195547 /nfs/dbraw/zinc/19/55/47/605195547.db2.gz LHMSZJWNPGYZJX-JTQLQIEISA-N -1 1 316.379 0.988 20 0 DCADMM CN(CCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)C1CC1 ZINC000833693549 605201462 /nfs/dbraw/zinc/20/14/62/605201462.db2.gz CXOUBUSTFJYMTP-UHFFFAOYSA-N -1 1 316.354 0.896 20 0 DCADMM C[C@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)CCN1C ZINC000694183190 605206155 /nfs/dbraw/zinc/20/61/55/605206155.db2.gz KFWVZQDKLUZHAH-WCBMZHEXSA-N -1 1 302.352 0.739 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](O)c1cccnc1 ZINC000833624433 605209689 /nfs/dbraw/zinc/20/96/89/605209689.db2.gz UXCOLJSUGUPLMR-FZMZJTMJSA-N -1 1 307.350 0.122 20 0 DCADMM C[C@H]1CN(C(=O)c2cnn3cccnc23)CCN1CCC(=O)[O-] ZINC000833619998 605251848 /nfs/dbraw/zinc/25/18/48/605251848.db2.gz FKFFIMNBHZVHNA-NSHDSACASA-N -1 1 317.349 0.350 20 0 DCADMM O=S(=O)(NCC1(C2CC2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489034 607747134 /nfs/dbraw/zinc/74/71/34/607747134.db2.gz 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CC(C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820012075 606819598 /nfs/dbraw/zinc/81/95/98/606819598.db2.gz TXHOUTQNOGLOKW-JTQLQIEISA-N -1 1 316.369 0.350 20 0 DCADMM CC(C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820012075 606819599 /nfs/dbraw/zinc/81/95/99/606819599.db2.gz TXHOUTQNOGLOKW-JTQLQIEISA-N -1 1 316.369 0.350 20 0 DCADMM C/C=C\C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820833015 606825480 /nfs/dbraw/zinc/82/54/80/606825480.db2.gz QBIFRSIJTPVMEK-UMBAGQNISA-N -1 1 314.353 0.270 20 0 DCADMM C/C=C\C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820833015 606825482 /nfs/dbraw/zinc/82/54/82/606825482.db2.gz QBIFRSIJTPVMEK-UMBAGQNISA-N -1 1 314.353 0.270 20 0 DCADMM CN(CC(F)F)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821595265 606844156 /nfs/dbraw/zinc/84/41/56/606844156.db2.gz QXPRHLWXLPXSFE-UHFFFAOYSA-N -1 1 321.284 0.891 20 0 DCADMM Cc1nn(-c2ccccc2)c(Cn2nnnc2C)c1-c1nn[n-]n1 ZINC000822486228 607043129 /nfs/dbraw/zinc/04/31/29/607043129.db2.gz 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607103388 /nfs/dbraw/zinc/10/33/88/607103388.db2.gz XPFJQVZDIFAECU-UHFFFAOYSA-N -1 1 303.307 0.274 20 0 DCADMM Cc1cc(C)n(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)n1 ZINC000822197659 607104683 /nfs/dbraw/zinc/10/46/83/607104683.db2.gz KCVRJJVFIDKRJN-UHFFFAOYSA-N -1 1 304.339 0.775 20 0 DCADMM Cc1cc(C)n(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)n1 ZINC000822197659 607104684 /nfs/dbraw/zinc/10/46/84/607104684.db2.gz KCVRJJVFIDKRJN-UHFFFAOYSA-N -1 1 304.339 0.775 20 0 DCADMM CCc1nnsc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821554989 607107934 /nfs/dbraw/zinc/10/79/34/607107934.db2.gz XJZKUFYDMBXCJA-UHFFFAOYSA-N -1 1 308.352 0.989 20 0 DCADMM CCc1nnsc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821554989 607107936 /nfs/dbraw/zinc/10/79/36/607107936.db2.gz XJZKUFYDMBXCJA-UHFFFAOYSA-N -1 1 308.352 0.989 20 0 DCADMM Cc1cnn(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000822403917 607108198 /nfs/dbraw/zinc/10/81/98/607108198.db2.gz ZUVZBPJURWHNKJ-UHFFFAOYSA-N -1 1 304.339 0.857 20 0 DCADMM Cc1cnn(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000822403917 607108200 /nfs/dbraw/zinc/10/82/00/607108200.db2.gz ZUVZBPJURWHNKJ-UHFFFAOYSA-N -1 1 304.339 0.857 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000823379764 607110744 /nfs/dbraw/zinc/11/07/44/607110744.db2.gz HNNNRZYVSUZEBT-ZCFIWIBFSA-N -1 1 319.350 0.273 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000823379764 607110745 /nfs/dbraw/zinc/11/07/45/607110745.db2.gz HNNNRZYVSUZEBT-ZCFIWIBFSA-N -1 1 319.350 0.273 20 0 DCADMM CC[C@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820972063 607218649 /nfs/dbraw/zinc/21/86/49/607218649.db2.gz KBXPHQJSEFUXSQ-UWVGGRQHSA-N -1 1 304.358 0.543 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCNC(=O)C1 ZINC000826478646 607836534 /nfs/dbraw/zinc/83/65/34/607836534.db2.gz HGOSVBZCJFSSRU-MRVPVSSYSA-N -1 1 302.294 0.037 20 0 DCADMM CN(C[C@H]1CCC[C@@H]1O)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825908822 607857144 /nfs/dbraw/zinc/85/71/44/607857144.db2.gz MQACBVOWUKMYIU-SCZZXKLOSA-N -1 1 320.357 0.225 20 0 DCADMM CN(C[C@H]1CCC[C@@H]1O)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825908822 607857145 /nfs/dbraw/zinc/85/71/45/607857145.db2.gz MQACBVOWUKMYIU-SCZZXKLOSA-N -1 1 320.357 0.225 20 0 DCADMM CC(C)C(=O)NCCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824178569 607914799 /nfs/dbraw/zinc/91/47/99/607914799.db2.gz YBRBYPWCPIMUMC-UHFFFAOYSA-N -1 1 317.353 0.154 20 0 DCADMM CC(C)C(=O)NCCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824178569 607914800 /nfs/dbraw/zinc/91/48/00/607914800.db2.gz YBRBYPWCPIMUMC-UHFFFAOYSA-N -1 1 317.353 0.154 20 0 DCADMM Cc1[nH]nc(C(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)c1[O-] ZINC000826321350 607954396 /nfs/dbraw/zinc/95/43/96/607954396.db2.gz BUEUONTUCCPKEC-UHFFFAOYSA-N -1 1 311.305 0.807 20 0 DCADMM CN(Cc1nccn1C(F)F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825999279 607989214 /nfs/dbraw/zinc/98/92/14/607989214.db2.gz UVYASMALHZIQKT-UHFFFAOYSA-N -1 1 307.268 0.885 20 0 DCADMM CN(Cc1nccn1C(F)F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825999279 607989215 /nfs/dbraw/zinc/98/92/15/607989215.db2.gz UVYASMALHZIQKT-UHFFFAOYSA-N -1 1 307.268 0.885 20 0 DCADMM Cc1noc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC000826339458 607990064 /nfs/dbraw/zinc/99/00/64/607990064.db2.gz FMVWKIJCDKLUFK-VIFPVBQESA-N -1 1 313.325 0.732 20 0 DCADMM Cc1noc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC000826339458 607990065 /nfs/dbraw/zinc/99/00/65/607990065.db2.gz FMVWKIJCDKLUFK-VIFPVBQESA-N -1 1 313.325 0.732 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824507815 608031520 /nfs/dbraw/zinc/03/15/20/608031520.db2.gz YQDNRQJSMNLXBV-SSDOTTSWSA-N -1 1 301.314 0.811 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824507815 608031521 /nfs/dbraw/zinc/03/15/21/608031521.db2.gz YQDNRQJSMNLXBV-SSDOTTSWSA-N -1 1 301.314 0.811 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@@H]1C1CC1 ZINC000826472191 608040775 /nfs/dbraw/zinc/04/07/75/608040775.db2.gz BGQBJDZFJQBPIV-GFCCVEGCSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@@H]1C1CC1 ZINC000826472191 608040776 /nfs/dbraw/zinc/04/07/76/608040776.db2.gz BGQBJDZFJQBPIV-GFCCVEGCSA-N -1 1 300.322 0.513 20 0 DCADMM CC[C@H]1C(=O)NCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825176553 608188900 /nfs/dbraw/zinc/18/89/00/608188900.db2.gz XQGUYNPGMLNXMR-YFKPBYRVSA-N -1 1 313.774 0.691 20 0 DCADMM CC[C@H]1C(=O)NCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825176553 608188901 /nfs/dbraw/zinc/18/89/01/608188901.db2.gz XQGUYNPGMLNXMR-YFKPBYRVSA-N -1 1 313.774 0.691 20 0 DCADMM O=C1N[C@H](c2ccc(-c3nn[n-]n3)s2)N2CCSC[C@@H]12 ZINC000826482101 608228337 /nfs/dbraw/zinc/22/83/37/608228337.db2.gz RTSLLOVMGVHNMR-WKEGUHRASA-N -1 1 308.392 0.474 20 0 DCADMM O=C(OCc1nncn1C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826467711 608333932 /nfs/dbraw/zinc/33/39/32/608333932.db2.gz IYKMRJMCGPAZFP-UHFFFAOYSA-N -1 1 312.293 0.545 20 0 DCADMM O=C(OCc1nncn1C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826467711 608333934 /nfs/dbraw/zinc/33/39/34/608333934.db2.gz IYKMRJMCGPAZFP-UHFFFAOYSA-N -1 1 312.293 0.545 20 0 DCADMM CCOC(=O)CC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825507952 608394830 /nfs/dbraw/zinc/39/48/30/608394830.db2.gz VKDSVWDPPJLSFJ-UHFFFAOYSA-N -1 1 317.353 0.826 20 0 DCADMM CCOC(=O)CC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825507952 608394832 /nfs/dbraw/zinc/39/48/32/608394832.db2.gz VKDSVWDPPJLSFJ-UHFFFAOYSA-N -1 1 317.353 0.826 20 0 DCADMM OC[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccccc1 ZINC000826507389 608397480 /nfs/dbraw/zinc/39/74/80/608397480.db2.gz NSJZTHZMNCQSTJ-GFCCVEGCSA-N -1 1 311.349 0.920 20 0 DCADMM OC[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccccc1 ZINC000826507389 608397482 /nfs/dbraw/zinc/39/74/82/608397482.db2.gz NSJZTHZMNCQSTJ-GFCCVEGCSA-N -1 1 311.349 0.920 20 0 DCADMM Cc1ncc2c(n1)CC[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826330204 608408607 /nfs/dbraw/zinc/40/86/07/608408607.db2.gz JQNITTYTLBDFOO-SNVBAGLBSA-N -1 1 309.337 0.725 20 0 DCADMM Cc1ncc2c(n1)CC[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826330204 608408609 /nfs/dbraw/zinc/40/86/09/608408609.db2.gz JQNITTYTLBDFOO-SNVBAGLBSA-N -1 1 309.337 0.725 20 0 DCADMM CN1C(=O)COc2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc21 ZINC000826018289 608426509 /nfs/dbraw/zinc/42/65/09/608426509.db2.gz USHUNHFGHLSTLG-UHFFFAOYSA-N -1 1 324.304 0.756 20 0 DCADMM CN1C(=O)COc2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc21 ZINC000826018289 608426511 /nfs/dbraw/zinc/42/65/11/608426511.db2.gz USHUNHFGHLSTLG-UHFFFAOYSA-N -1 1 324.304 0.756 20 0 DCADMM NC(=O)[C@@H]1CCCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826390058 608434293 /nfs/dbraw/zinc/43/42/93/608434293.db2.gz OVYPPYYHRNHJBU-RKDXNWHRSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@@H]1CCCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826390058 608434295 /nfs/dbraw/zinc/43/42/95/608434295.db2.gz OVYPPYYHRNHJBU-RKDXNWHRSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@@H]1CCCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826390055 608434380 /nfs/dbraw/zinc/43/43/80/608434380.db2.gz OVYPPYYHRNHJBU-BDAKNGLRSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@@H]1CCCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826390055 608434381 /nfs/dbraw/zinc/43/43/81/608434381.db2.gz OVYPPYYHRNHJBU-BDAKNGLRSA-N -1 1 302.342 0.503 20 0 DCADMM c1ccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC000826522378 608437963 /nfs/dbraw/zinc/43/79/63/608437963.db2.gz XRHUPFYYLWGZPO-SNVBAGLBSA-N -1 1 309.337 0.743 20 0 DCADMM CO[C@@H]1CCC[C@@H]1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826145889 608493816 /nfs/dbraw/zinc/49/38/16/608493816.db2.gz NLDPUXCKUHFEEL-PSASIEDQSA-N -1 1 320.357 0.537 20 0 DCADMM CO[C@@H]1CCC[C@@H]1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826145889 608493818 /nfs/dbraw/zinc/49/38/18/608493818.db2.gz NLDPUXCKUHFEEL-PSASIEDQSA-N -1 1 320.357 0.537 20 0 DCADMM CC(=O)NC[C@H]1CCCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC000823994695 608543441 /nfs/dbraw/zinc/54/34/41/608543441.db2.gz MOENYVNLDJBBSE-GFCCVEGCSA-N -1 1 315.381 0.923 20 0 DCADMM COC[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826149317 608756610 /nfs/dbraw/zinc/75/66/10/608756610.db2.gz FITZQQQOQVOYCH-SSDOTTSWSA-N -1 1 315.330 0.319 20 0 DCADMM Cc1onc(CC(=O)NCCC[C@@H](C)CO)c1-c1nnn[n-]1 ZINC000826347165 609467684 /nfs/dbraw/zinc/46/76/84/609467684.db2.gz HDTCQZBGUCSZQE-MRVPVSSYSA-N -1 1 308.342 0.230 20 0 DCADMM Cc1onc(CC(=O)NCCC[C@@H](C)CO)c1-c1nn[n-]n1 ZINC000826347165 609467686 /nfs/dbraw/zinc/46/76/86/609467686.db2.gz HDTCQZBGUCSZQE-MRVPVSSYSA-N -1 1 308.342 0.230 20 0 DCADMM CO[C@@H]1CCC[C@H]1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826146260 609470500 /nfs/dbraw/zinc/47/05/00/609470500.db2.gz SPPCOHPBAILBTL-GXSJLCMTSA-N -1 1 320.353 0.637 20 0 DCADMM CO[C@@H]1CCC[C@H]1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826146260 609470501 /nfs/dbraw/zinc/47/05/01/609470501.db2.gz SPPCOHPBAILBTL-GXSJLCMTSA-N -1 1 320.353 0.637 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCCOCC2)c1-c1nnn[n-]1 ZINC000826346294 609471152 /nfs/dbraw/zinc/47/11/52/609471152.db2.gz IOGWXSXJZIUJOR-SECBINFHSA-N -1 1 306.326 0.391 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCCOCC2)c1-c1nn[n-]n1 ZINC000826346294 609471155 /nfs/dbraw/zinc/47/11/55/609471155.db2.gz IOGWXSXJZIUJOR-SECBINFHSA-N -1 1 306.326 0.391 20 0 DCADMM O=C1C[C@@H](CNc2nccnc2-c2nnn[n-]2)CN1C1CC1 ZINC000826478882 609572357 /nfs/dbraw/zinc/57/23/57/609572357.db2.gz LDOJPNOQCSLKMM-QMMMGPOBSA-N -1 1 300.326 0.080 20 0 DCADMM O=C1C[C@@H](CNc2nccnc2-c2nn[n-]n2)CN1C1CC1 ZINC000826478882 609572359 /nfs/dbraw/zinc/57/23/59/609572359.db2.gz LDOJPNOQCSLKMM-QMMMGPOBSA-N -1 1 300.326 0.080 20 0 DCADMM c1cc(N2CCC([C@H]3CCOC3)CC2)nnc1-c1nnn[n-]1 ZINC000826516753 609592284 /nfs/dbraw/zinc/59/22/84/609592284.db2.gz ZQCDOSRIOMEBTK-NSHDSACASA-N -1 1 301.354 0.910 20 0 DCADMM c1cc(N2CCC([C@H]3CCOC3)CC2)nnc1-c1nn[n-]n1 ZINC000826516753 609592286 /nfs/dbraw/zinc/59/22/86/609592286.db2.gz ZQCDOSRIOMEBTK-NSHDSACASA-N -1 1 301.354 0.910 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCOC1 ZINC000824515482 609598652 /nfs/dbraw/zinc/59/86/52/609598652.db2.gz SLAXRNCNSQNYPH-GXSJLCMTSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCOC1 ZINC000824515482 609598653 /nfs/dbraw/zinc/59/86/53/609598653.db2.gz SLAXRNCNSQNYPH-GXSJLCMTSA-N -1 1 302.338 0.807 20 0 DCADMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)nc1F)C(=O)OC ZINC000867448952 667404706 /nfs/dbraw/zinc/40/47/06/667404706.db2.gz NFTZCRUJVBBGRB-ZETCQYMHSA-N -1 1 308.306 0.837 20 0 DCADMM CC(C)[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C1(CO)CC=CC1 ZINC000867453374 667404964 /nfs/dbraw/zinc/40/49/64/667404964.db2.gz PWROFZGBPKRZLY-NSHDSACASA-N -1 1 324.468 0.902 20 0 DCADMM O=C(N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1)c1ccn[nH]1 ZINC000979664479 660797341 /nfs/dbraw/zinc/79/73/41/660797341.db2.gz KCSCIMWZZOOLPM-MGCOHNPYSA-N -1 1 315.333 0.449 20 0 DCADMM CC1CCN(CC(=O)N2CCSC[C@H](C(=O)[O-])C2)CC1 ZINC000910148632 663850099 /nfs/dbraw/zinc/85/00/99/663850099.db2.gz DMBJBJDIFFJDKE-GFCCVEGCSA-N -1 1 300.424 0.995 20 0 DCADMM Cc1cc(C(=O)N2CCN(C(=O)c3ncccc3[O-])CC2)no1 ZINC001010192625 660960588 /nfs/dbraw/zinc/96/05/88/660960588.db2.gz QDUPFQJUPPZQDM-UHFFFAOYSA-N -1 1 316.317 0.682 20 0 DCADMM Cc1ccc(C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)o1 ZINC000980667330 660980793 /nfs/dbraw/zinc/98/07/93/660980793.db2.gz NDSZBXCJWTVMQM-UHFFFAOYSA-N -1 1 319.365 0.358 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)[C@H]3CC=CCC3)CC2)nc1=O ZINC000980692471 660987071 /nfs/dbraw/zinc/98/70/71/660987071.db2.gz CVWJJJLXVFSZEB-ZDUSSCGKSA-N -1 1 319.409 0.499 20 0 DCADMM O=C(c1ncccc1[O-])N1CCCN(CCn2cncn2)CC1 ZINC000981026698 661067327 /nfs/dbraw/zinc/06/73/27/661067327.db2.gz KGOZFLGAXFYTHS-UHFFFAOYSA-N -1 1 316.365 0.227 20 0 DCADMM CN1CC[C@H](N2CCCN(C(=O)c3ncccc3[O-])CC2)C1=O ZINC000981026629 661067419 /nfs/dbraw/zinc/06/74/19/661067419.db2.gz GVWUWSYBMFJHHI-LBPRGKRZSA-N -1 1 318.377 0.166 20 0 DCADMM CC[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000885383817 667672547 /nfs/dbraw/zinc/67/25/47/667672547.db2.gz UYQHRTHPUJDODV-JGVFFNPUSA-N -1 1 322.818 0.655 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)[C@@]3(C)C=CCC3)CC2)nc1=O ZINC000981775640 661214688 /nfs/dbraw/zinc/21/46/88/661214688.db2.gz VMQBCFHLFLUEMH-INIZCTEOSA-N -1 1 319.409 0.499 20 0 DCADMM 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O=C([O-])CC1(NC(=O)c2ccc(Cc3nc[nH]n3)cc2)COC1 ZINC001574365373 1163707219 /nfs/dbraw/zinc/70/72/19/1163707219.db2.gz WMKSMNBZQBNVBP-UHFFFAOYSA-N -1 1 316.317 0.369 20 0 DCADMM CC(C)[C@H](CO)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001574397129 1163713346 /nfs/dbraw/zinc/71/33/46/1163713346.db2.gz VMIALHVTFJNPOE-ZETCQYMHSA-N -1 1 317.396 0.223 20 0 DCADMM O=C([O-])c1cccc2nc(NC(=O)[C@H]3CCC(=O)NC3)[nH]c21 ZINC001574430502 1163721824 /nfs/dbraw/zinc/72/18/24/1163721824.db2.gz IEEWLNXHBGEMBM-ZETCQYMHSA-N -1 1 302.290 0.726 20 0 DCADMM C[C@H](CCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CCC1 ZINC001574673376 1163739814 /nfs/dbraw/zinc/73/98/14/1163739814.db2.gz MHOXQBNZXMTPJM-SECBINFHSA-N -1 1 316.369 0.185 20 0 DCADMM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1C[C@H]1C ZINC001574796761 1163753712 /nfs/dbraw/zinc/75/37/12/1163753712.db2.gz NXOTYFZTSZTBNL-KXUCPTDWSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1C[C@H]1C ZINC001574796761 1163753720 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O=C(CC[C@H]1CCOC1)NCCCNC(=O)c1ncccc1[O-] ZINC001575771048 1164143529 /nfs/dbraw/zinc/14/35/29/1164143529.db2.gz UNDSHFORHSYVIM-LBPRGKRZSA-N -1 1 321.377 0.840 20 0 DCADMM C[C@H]1OCC[C@@H]1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001575795031 1164154389 /nfs/dbraw/zinc/15/43/89/1164154389.db2.gz QHLQMRYKCUBSSI-MNOVXSKESA-N -1 1 307.350 0.448 20 0 DCADMM C[C@@]1(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)CCOC1=O ZINC001575817758 1164163572 /nfs/dbraw/zinc/16/35/72/1164163572.db2.gz DAORDBJBKMPMQH-GFCCVEGCSA-N -1 1 322.350 0.433 20 0 DCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CC(C)C1 ZINC001575965079 1164196931 /nfs/dbraw/zinc/19/69/31/1164196931.db2.gz IWJQDGAMLZZBSZ-HWOCKDDLSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001576076186 1164231871 /nfs/dbraw/zinc/23/18/71/1164231871.db2.gz JSWONPJKZMDLNF-NXEZZACHSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001576076186 1164231883 /nfs/dbraw/zinc/23/18/83/1164231883.db2.gz JSWONPJKZMDLNF-NXEZZACHSA-N -1 1 316.369 0.207 20 0 DCADMM C/C=C(/C)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576399237 1164325644 /nfs/dbraw/zinc/32/56/44/1164325644.db2.gz XSURGFOBTTZZMJ-BSKOKIOFSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(/C)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576399237 1164325647 /nfs/dbraw/zinc/32/56/47/1164325647.db2.gz XSURGFOBTTZZMJ-BSKOKIOFSA-N -1 1 316.369 0.882 20 0 DCADMM CCC(=O)N[C@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576441051 1164345458 /nfs/dbraw/zinc/34/54/58/1164345458.db2.gz PREXBFPVCWIDPX-ZJUUUORDSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576441051 1164345462 /nfs/dbraw/zinc/34/54/62/1164345462.db2.gz PREXBFPVCWIDPX-ZJUUUORDSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576441049 1164346049 /nfs/dbraw/zinc/34/60/49/1164346049.db2.gz PREXBFPVCWIDPX-UWVGGRQHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576441049 1164346056 /nfs/dbraw/zinc/34/60/56/1164346056.db2.gz PREXBFPVCWIDPX-UWVGGRQHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001576445126 1164346617 /nfs/dbraw/zinc/34/66/17/1164346617.db2.gz PGOHSVXNINCSPM-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001576445126 1164346622 /nfs/dbraw/zinc/34/66/22/1164346622.db2.gz PGOHSVXNINCSPM-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001576471046 1164353972 /nfs/dbraw/zinc/35/39/72/1164353972.db2.gz LZVWHJOJKXWGMT-NSHDSACASA-N -1 1 318.385 0.928 20 0 DCADMM CCC(=O)NC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001576471046 1164353978 /nfs/dbraw/zinc/35/39/78/1164353978.db2.gz LZVWHJOJKXWGMT-NSHDSACASA-N -1 1 318.385 0.928 20 0 DCADMM CCC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576475501 1164357541 /nfs/dbraw/zinc/35/75/41/1164357541.db2.gz FZLAFHNJRQZLPZ-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576475501 1164357546 /nfs/dbraw/zinc/35/75/46/1164357546.db2.gz FZLAFHNJRQZLPZ-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)NC[C@@H](C)N(CC)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576475404 1164358199 /nfs/dbraw/zinc/35/81/99/1164358199.db2.gz BXVXLODEEPVARX-SNVBAGLBSA-N -1 1 318.385 0.706 20 0 DCADMM CCC(=O)NC[C@@H](C)N(CC)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576475404 1164358203 /nfs/dbraw/zinc/35/82/03/1164358203.db2.gz BXVXLODEEPVARX-SNVBAGLBSA-N -1 1 318.385 0.706 20 0 DCADMM CCC(=O)NCC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576486982 1164362795 /nfs/dbraw/zinc/36/27/95/1164362795.db2.gz IEMATOFQRWBCFX-SECBINFHSA-N -1 1 318.385 0.936 20 0 DCADMM CCC(=O)NCC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576486982 1164362799 /nfs/dbraw/zinc/36/27/99/1164362799.db2.gz IEMATOFQRWBCFX-SECBINFHSA-N -1 1 318.385 0.936 20 0 DCADMM CCC(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576486980 1164363361 /nfs/dbraw/zinc/36/33/61/1164363361.db2.gz IBRIYIMPYMPGTG-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2cn[nH]n2)C1 ZINC001576513767 1164373831 /nfs/dbraw/zinc/37/38/31/1164373831.db2.gz KHUIYEOPOLSOAA-LBPRGKRZSA-N -1 1 316.365 0.642 20 0 DCADMM CC[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576564558 1164393965 /nfs/dbraw/zinc/39/39/65/1164393965.db2.gz SJHNJDROPOWTQK-NXEZZACHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576564558 1164393970 /nfs/dbraw/zinc/39/39/70/1164393970.db2.gz SJHNJDROPOWTQK-NXEZZACHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576576575 1164400815 /nfs/dbraw/zinc/40/08/15/1164400815.db2.gz MGWMIWVWKMOECV-VHSXEESVSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576576639 1164400890 /nfs/dbraw/zinc/40/08/90/1164400890.db2.gz NUDSODLKUUYVRM-VHSXEESVSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576576639 1164400893 /nfs/dbraw/zinc/40/08/93/1164400893.db2.gz NUDSODLKUUYVRM-VHSXEESVSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)[C@@H](C)C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001576602587 1164408609 /nfs/dbraw/zinc/40/86/09/1164408609.db2.gz ZGKJOFUCYMRUQM-NXEZZACHSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H](C)[C@@H](C)C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001576602587 1164408612 /nfs/dbraw/zinc/40/86/12/1164408612.db2.gz ZGKJOFUCYMRUQM-NXEZZACHSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576608167 1164412359 /nfs/dbraw/zinc/41/23/59/1164412359.db2.gz ZOBHKGQCDBVCAC-OPRDCNLKSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576608167 1164412362 /nfs/dbraw/zinc/41/23/62/1164412362.db2.gz ZOBHKGQCDBVCAC-OPRDCNLKSA-N -1 1 316.369 0.762 20 0 DCADMM CCC(CC)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001576721085 1164442307 /nfs/dbraw/zinc/44/23/07/1164442307.db2.gz HUCFJDWWXXFUTO-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCC(CC)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001576721085 1164442317 /nfs/dbraw/zinc/44/23/17/1164442317.db2.gz HUCFJDWWXXFUTO-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](CC)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576778648 1164461417 /nfs/dbraw/zinc/46/14/17/1164461417.db2.gz VYKOGNLWVPRZPD-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](CC)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576778648 1164461422 /nfs/dbraw/zinc/46/14/22/1164461422.db2.gz VYKOGNLWVPRZPD-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](CNC(=O)C1(C)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576779822 1164462275 /nfs/dbraw/zinc/46/22/75/1164462275.db2.gz UDJPSBHCUFOBIH-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)C1(C)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576779822 1164462279 /nfs/dbraw/zinc/46/22/79/1164462279.db2.gz UDJPSBHCUFOBIH-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576925064 1164535312 /nfs/dbraw/zinc/53/53/12/1164535312.db2.gz MQNLMHVGSGPBBR-BDAKNGLRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576925064 1164535317 /nfs/dbraw/zinc/53/53/17/1164535317.db2.gz MQNLMHVGSGPBBR-BDAKNGLRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576927799 1164536421 /nfs/dbraw/zinc/53/64/21/1164536421.db2.gz XMNRBEGZFNFALO-IUCAKERBSA-N -1 1 322.348 0.086 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576927310 1164537450 /nfs/dbraw/zinc/53/74/50/1164537450.db2.gz VHMISRSKCLEIPC-BDAKNGLRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576927310 1164537455 /nfs/dbraw/zinc/53/74/55/1164537455.db2.gz VHMISRSKCLEIPC-BDAKNGLRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576942520 1164548598 /nfs/dbraw/zinc/54/85/98/1164548598.db2.gz RBUSRHQLNXFMKU-DTWKUNHWSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576942520 1164548606 /nfs/dbraw/zinc/54/86/06/1164548606.db2.gz RBUSRHQLNXFMKU-DTWKUNHWSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576942454 1164548834 /nfs/dbraw/zinc/54/88/34/1164548834.db2.gz QJBJHWKGBWRLTQ-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576942454 1164548839 /nfs/dbraw/zinc/54/88/39/1164548839.db2.gz QJBJHWKGBWRLTQ-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CCCC(=O)NCCN(CCC)c1ccnc(-c2nn[n-]n2)n1 ZINC001577219119 1164640674 /nfs/dbraw/zinc/64/06/74/1164640674.db2.gz YXEXNRVKDWWKIQ-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCC[C@H](C)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001577254530 1164652112 /nfs/dbraw/zinc/65/21/12/1164652112.db2.gz MADYTNNCDMAWCU-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CCC[C@H](C)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001577254530 1164652115 /nfs/dbraw/zinc/65/21/15/1164652115.db2.gz MADYTNNCDMAWCU-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CCC[C@@H](C)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577278448 1164658981 /nfs/dbraw/zinc/65/89/81/1164658981.db2.gz DLKJIXOBMUCKFX-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CCC[C@@H](C)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577278448 1164658987 /nfs/dbraw/zinc/65/89/87/1164658987.db2.gz DLKJIXOBMUCKFX-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CCCCC(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577416477 1164687558 /nfs/dbraw/zinc/68/75/58/1164687558.db2.gz HXWGPCMZXNUNNW-SNVBAGLBSA-N -1 1 318.385 0.433 20 0 DCADMM CCCCC(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577416476 1164688363 /nfs/dbraw/zinc/68/83/63/1164688363.db2.gz HXWGPCMZXNUNNW-JTQLQIEISA-N -1 1 318.385 0.433 20 0 DCADMM CCCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577417958 1164688553 /nfs/dbraw/zinc/68/85/53/1164688553.db2.gz YCOUNGKYUNIVDE-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577417958 1164688560 /nfs/dbraw/zinc/68/85/60/1164688560.db2.gz YCOUNGKYUNIVDE-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCN(C(C)=O)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577547369 1164721899 /nfs/dbraw/zinc/72/18/99/1164721899.db2.gz JZUZQRGXOVGOHU-NSHDSACASA-N -1 1 316.369 0.494 20 0 DCADMM CCCN(C(C)=O)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577547369 1164721905 /nfs/dbraw/zinc/72/19/05/1164721905.db2.gz JZUZQRGXOVGOHU-NSHDSACASA-N -1 1 316.369 0.494 20 0 DCADMM O=C([N-]OCc1c[nH]nn1)[C@@H](O)c1ccc(Cl)cc1F ZINC001578016222 1164896097 /nfs/dbraw/zinc/89/60/97/1164896097.db2.gz WCYRDQDOUVEWPJ-JTQLQIEISA-N -1 1 300.677 0.879 20 0 DCADMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)C1(C)CC1 ZINC001578145828 1164936847 /nfs/dbraw/zinc/93/68/47/1164936847.db2.gz XZNRELRBZZZUDV-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)C1(C)CC1 ZINC001578145828 1164936854 /nfs/dbraw/zinc/93/68/54/1164936854.db2.gz XZNRELRBZZZUDV-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(c1nccnc1-c1nnn[n-]1)[C@H](C)CNC(=O)C1CC1 ZINC001578208691 1164952014 /nfs/dbraw/zinc/95/20/14/1164952014.db2.gz ZKOJVNOCAGTYOH-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CCN(c1nccnc1-c1nn[n-]n1)[C@H](C)CNC(=O)C1CC1 ZINC001578208691 1164952021 /nfs/dbraw/zinc/95/20/21/1164952021.db2.gz ZKOJVNOCAGTYOH-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CCN1C[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1=O ZINC001578213449 1164952713 /nfs/dbraw/zinc/95/27/13/1164952713.db2.gz RIJAASAVDRQWLG-MRVPVSSYSA-N -1 1 320.378 0.413 20 0 DCADMM CCOc1nc(C)ccc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001578410196 1165003069 /nfs/dbraw/zinc/00/30/69/1165003069.db2.gz OZCARVLSBZACAE-UHFFFAOYSA-N -1 1 314.309 0.944 20 0 DCADMM CCS(=O)(=O)c1ccc(Cn2ccnc2-c2nnn[n-]2)cc1 ZINC001578415506 1165005633 /nfs/dbraw/zinc/00/56/33/1165005633.db2.gz IQDYXEZKRGGTQP-UHFFFAOYSA-N -1 1 318.362 0.905 20 0 DCADMM CCS(=O)(=O)c1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC001578415506 1165005636 /nfs/dbraw/zinc/00/56/36/1165005636.db2.gz IQDYXEZKRGGTQP-UHFFFAOYSA-N -1 1 318.362 0.905 20 0 DCADMM CCc1cnc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)o1 ZINC001578555911 1165058714 /nfs/dbraw/zinc/05/87/14/1165058714.db2.gz IPECQMBIFONBSF-LURJTMIESA-N -1 1 303.286 0.208 20 0 DCADMM CCc1nc(N[C@@H]2C[C@H](C)N(C(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001578638459 1165071493 /nfs/dbraw/zinc/07/14/93/1165071493.db2.gz KBBSUUCVKKOHDP-WCBMZHEXSA-N -1 1 316.369 0.640 20 0 DCADMM CCc1nc(N[C@@H]2C[C@H](C)N(C(C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001578638459 1165071499 /nfs/dbraw/zinc/07/14/99/1165071499.db2.gz KBBSUUCVKKOHDP-WCBMZHEXSA-N -1 1 316.369 0.640 20 0 DCADMM CN[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC001578745013 1165093588 /nfs/dbraw/zinc/09/35/88/1165093588.db2.gz PQDXSDNIMHJSPX-UHFFFAOYSA-N -1 1 313.129 0.241 20 0 DCADMM CN(C)c1ncccc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001579001657 1165185526 /nfs/dbraw/zinc/18/55/26/1165185526.db2.gz RQDGHBWYDBERJJ-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(C)c1ncccc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001579001657 1165185531 /nfs/dbraw/zinc/18/55/31/1165185531.db2.gz RQDGHBWYDBERJJ-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(CCNC(=O)CCC1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001579176519 1165230164 /nfs/dbraw/zinc/23/01/64/1165230164.db2.gz VMJNPLDWVIDDMU-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)CCC1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001579176519 1165230172 /nfs/dbraw/zinc/23/01/72/1165230172.db2.gz VMJNPLDWVIDDMU-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CNC(=O)[C@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001579386411 1165295437 /nfs/dbraw/zinc/29/54/37/1165295437.db2.gz IWZHSBBSXWDJNS-QMMMGPOBSA-N -1 1 318.312 0.214 20 0 DCADMM CNC(=O)[C@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001579386411 1165295442 /nfs/dbraw/zinc/29/54/42/1165295442.db2.gz IWZHSBBSXWDJNS-QMMMGPOBSA-N -1 1 318.312 0.214 20 0 DCADMM CNC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001579402918 1165300214 /nfs/dbraw/zinc/30/02/14/1165300214.db2.gz QUDSRKRWNDNHNQ-JTQLQIEISA-N -1 1 319.344 0.509 20 0 DCADMM CNc1cnn(Cc2nc(-c3nnn[n-]3)cs2)c(=O)c1Cl ZINC001579431341 1165308076 /nfs/dbraw/zinc/30/80/76/1165308076.db2.gz NGQCYCNZKZBNAQ-UHFFFAOYSA-N -1 1 324.757 0.623 20 0 DCADMM CNc1cnn(Cc2nc(-c3nn[n-]n3)cs2)c(=O)c1Cl ZINC001579431341 1165308087 /nfs/dbraw/zinc/30/80/87/1165308087.db2.gz NGQCYCNZKZBNAQ-UHFFFAOYSA-N -1 1 324.757 0.623 20 0 DCADMM COC(=O)/C(C)=C\Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001579431675 1165308468 /nfs/dbraw/zinc/30/84/68/1165308468.db2.gz HBDKHIQCLTXBGE-TWGQIWQCSA-N -1 1 315.333 0.636 20 0 DCADMM COC(=O)N[C@@H](CC(C)C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001579466190 1165318270 /nfs/dbraw/zinc/31/82/70/1165318270.db2.gz GZGCWAQIHOFTJT-QMMMGPOBSA-N -1 1 322.329 0.299 20 0 DCADMM COC(=O)N[C@@H](CC(C)C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001579466190 1165318278 /nfs/dbraw/zinc/31/82/78/1165318278.db2.gz GZGCWAQIHOFTJT-QMMMGPOBSA-N -1 1 322.329 0.299 20 0 DCADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)on1 ZINC001579479819 1165326538 /nfs/dbraw/zinc/32/65/38/1165326538.db2.gz VGNOVPKPMZWCBD-UHFFFAOYSA-N -1 1 315.249 0.289 20 0 DCADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)on1 ZINC001579479819 1165326547 /nfs/dbraw/zinc/32/65/47/1165326547.db2.gz VGNOVPKPMZWCBD-UHFFFAOYSA-N -1 1 315.249 0.289 20 0 DCADMM COC(=O)c1ccc(CNc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001579482310 1165326614 /nfs/dbraw/zinc/32/66/14/1165326614.db2.gz CGTAPPSTADLJBS-UHFFFAOYSA-N -1 1 317.334 0.539 20 0 DCADMM COC(=O)c1ccc(NCc2ocnc2C)c(-c2nnn[n-]2)n1 ZINC001579485012 1165329492 /nfs/dbraw/zinc/32/94/92/1165329492.db2.gz NIVPAMPGPUNMIP-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1ccc(NCc2ocnc2C)c(-c2nn[n-]n2)n1 ZINC001579485012 1165329498 /nfs/dbraw/zinc/32/94/98/1165329498.db2.gz NIVPAMPGPUNMIP-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COc1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)[nH]n1 ZINC001579933894 1165443695 /nfs/dbraw/zinc/44/36/95/1165443695.db2.gz ZUSPAGPQFWHFKE-UHFFFAOYSA-N -1 1 301.270 0.637 20 0 DCADMM COc1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)[nH]n1 ZINC001579933894 1165443700 /nfs/dbraw/zinc/44/37/00/1165443700.db2.gz ZUSPAGPQFWHFKE-UHFFFAOYSA-N -1 1 301.270 0.637 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccccc1 ZINC001580285024 1165558428 /nfs/dbraw/zinc/55/84/28/1165558428.db2.gz BMFHXNDKFYAYDU-JTQLQIEISA-N -1 1 324.348 0.887 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccccc1 ZINC001580285024 1165558432 /nfs/dbraw/zinc/55/84/32/1165558432.db2.gz BMFHXNDKFYAYDU-JTQLQIEISA-N -1 1 324.348 0.887 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CC12CC2 ZINC001580300752 1165562779 /nfs/dbraw/zinc/56/27/79/1165562779.db2.gz XZWCCGDLKUSLGN-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CC12CC2 ZINC001580300752 1165562785 /nfs/dbraw/zinc/56/27/85/1165562785.db2.gz XZWCCGDLKUSLGN-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001580373431 1165589190 /nfs/dbraw/zinc/58/91/90/1165589190.db2.gz OIMJZVYSRZJVAL-SCZZXKLOSA-N -1 1 314.353 0.150 20 0 DCADMM C[C@H](Cc1cn(C)nn1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001580431010 1165601623 /nfs/dbraw/zinc/60/16/23/1165601623.db2.gz CLOOKBFAZSUDLE-SSDOTTSWSA-N -1 1 318.366 0.418 20 0 DCADMM C[C@H](Cc1cn(C)nn1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001580431010 1165601644 /nfs/dbraw/zinc/60/16/44/1165601644.db2.gz CLOOKBFAZSUDLE-SSDOTTSWSA-N -1 1 318.366 0.418 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccoc1 ZINC001580429469 1165601764 /nfs/dbraw/zinc/60/17/64/1165601764.db2.gz IEUJDSMDQODOGH-MRVPVSSYSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccoc1 ZINC001580429469 1165601771 /nfs/dbraw/zinc/60/17/71/1165601771.db2.gz IEUJDSMDQODOGH-MRVPVSSYSA-N -1 1 314.309 0.480 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)[C@H]1CCOC1 ZINC001580601295 1165651735 /nfs/dbraw/zinc/65/17/35/1165651735.db2.gz UXSLJMPUOJOGFT-BDAKNGLRSA-N -1 1 318.337 0.431 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H](C)CCCO ZINC001580605380 1165654337 /nfs/dbraw/zinc/65/43/37/1165654337.db2.gz YRDQSYRXRBZJJC-MRVPVSSYSA-N -1 1 320.353 0.414 20 0 DCADMM Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@H](O)c1cnc[nH]1 ZINC001580621479 1165661432 /nfs/dbraw/zinc/66/14/32/1165661432.db2.gz ZAZXXAOIUKLOHK-LBPRGKRZSA-N -1 1 313.321 0.362 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)C(C)(C)F)n1 ZINC001580639390 1165670378 /nfs/dbraw/zinc/67/03/78/1165670378.db2.gz GMMVWTUJAJDYKQ-UHFFFAOYSA-N -1 1 322.348 0.266 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)C(C)(C)F)n1 ZINC001580639390 1165670381 /nfs/dbraw/zinc/67/03/81/1165670381.db2.gz GMMVWTUJAJDYKQ-UHFFFAOYSA-N -1 1 322.348 0.266 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H](C)NC(=O)C2CC2)n1 ZINC001580686004 1165687284 /nfs/dbraw/zinc/68/72/84/1165687284.db2.gz ZOODXWMRLXNLPD-DTWKUNHWSA-N -1 1 316.369 0.680 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H](C)NC(=O)C2CC2)n1 ZINC001580686004 1165687288 /nfs/dbraw/zinc/68/72/88/1165687288.db2.gz ZOODXWMRLXNLPD-DTWKUNHWSA-N -1 1 316.369 0.680 20 0 DCADMM CN(CCNC(=O)C(=O)C(C)(C)C)C(=O)c1ncccc1[O-] ZINC001580693319 1165689947 /nfs/dbraw/zinc/68/99/47/1165689947.db2.gz TYTNWDHSKIWKII-UHFFFAOYSA-N -1 1 307.350 0.591 20 0 DCADMM Cc1cc(=O)c(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c[nH]1 ZINC001580766099 1165714717 /nfs/dbraw/zinc/71/47/17/1165714717.db2.gz PQPHYCQLHANTPP-UHFFFAOYSA-N -1 1 316.346 0.855 20 0 DCADMM Cc1cc(C(F)F)n(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)n1 ZINC001580888834 1165752373 /nfs/dbraw/zinc/75/23/73/1165752373.db2.gz BCZBGEUJJZQFEV-UHFFFAOYSA-N -1 1 323.267 0.671 20 0 DCADMM Cc1cc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)no1 ZINC001580925769 1165758729 /nfs/dbraw/zinc/75/87/29/1165758729.db2.gz QBMGHDXAPMHMBB-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1cc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)no1 ZINC001580925769 1165758732 /nfs/dbraw/zinc/75/87/32/1165758732.db2.gz QBMGHDXAPMHMBB-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1cccn2cc(CC(=O)Nc3n[nH]cc3-c3nn[n-]n3)nc12 ZINC001581261544 1165806671 /nfs/dbraw/zinc/80/66/71/1165806671.db2.gz JRUDHUNHMLSOPR-UHFFFAOYSA-N -1 1 323.320 0.727 20 0 DCADMM Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1cccc(-c3nn[n-]n3)n1)C2 ZINC001581530913 1165838969 /nfs/dbraw/zinc/83/89/69/1165838969.db2.gz OVXZJAPWPXWWNR-UHFFFAOYSA-N -1 1 324.304 0.222 20 0 DCADMM Cc1nccnc1CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001581565860 1165843095 /nfs/dbraw/zinc/84/30/95/1165843095.db2.gz AINCEWRDBPTKDW-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1nnc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)s1 ZINC001581612695 1165851684 /nfs/dbraw/zinc/85/16/84/1165851684.db2.gz TYWUNAFRRBZZLL-UHFFFAOYSA-N -1 1 318.322 0.688 20 0 DCADMM Cc1noc(CCC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001581635153 1165854642 /nfs/dbraw/zinc/85/46/42/1165854642.db2.gz GFGRFMSLVGIQLE-UHFFFAOYSA-N -1 1 319.350 0.869 20 0 DCADMM Cc1onc(CC(=O)NCC(C)(C)C(C)(C)O)c1-c1nnn[n-]1 ZINC001581739854 1165865956 /nfs/dbraw/zinc/86/59/56/1165865956.db2.gz ZJXLAFVDOKDLEZ-UHFFFAOYSA-N -1 1 322.369 0.619 20 0 DCADMM Cc1onc(CC(=O)NCC(C)(C)C(C)(C)O)c1-c1nn[n-]n1 ZINC001581739854 1165865964 /nfs/dbraw/zinc/86/59/64/1165865964.db2.gz ZJXLAFVDOKDLEZ-UHFFFAOYSA-N -1 1 322.369 0.619 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2ccn(CCF)n2)n1 ZINC001581754053 1165866884 /nfs/dbraw/zinc/86/68/84/1165866884.db2.gz FEQNDNPMNDUVTP-UHFFFAOYSA-N -1 1 320.292 0.410 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2ccn(CCF)n2)n1 ZINC001581754053 1165866892 /nfs/dbraw/zinc/86/68/92/1165866892.db2.gz FEQNDNPMNDUVTP-UHFFFAOYSA-N -1 1 320.292 0.410 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCNC(=O)C(C)(C)C)n1 ZINC001581753410 1165867238 /nfs/dbraw/zinc/86/72/38/1165867238.db2.gz BXPOTUJRIVJIPF-UHFFFAOYSA-N -1 1 320.357 0.091 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCNC(=O)C(C)(C)C)n1 ZINC001581753410 1165867241 /nfs/dbraw/zinc/86/72/41/1165867241.db2.gz BXPOTUJRIVJIPF-UHFFFAOYSA-N -1 1 320.357 0.091 20 0 DCADMM Cn1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(Cl)n1 ZINC001581764990 1165869839 /nfs/dbraw/zinc/86/98/39/1165869839.db2.gz TXNDNDKLKNQUAS-UHFFFAOYSA-N -1 1 307.705 0.239 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cncc3[nH]ccc32)n1 ZINC001581754827 1165869732 /nfs/dbraw/zinc/86/97/32/1165869732.db2.gz ODJFRODTDKBEIY-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cncc3[nH]ccc32)n1 ZINC001581754827 1165869740 /nfs/dbraw/zinc/86/97/40/1165869740.db2.gz ODJFRODTDKBEIY-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2nncc3ccccc32)n1 ZINC001581754774 1165869811 /nfs/dbraw/zinc/86/98/11/1165869811.db2.gz KYDDBJNXJQVWFN-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2nncc3ccccc32)n1 ZINC001581754774 1165869817 /nfs/dbraw/zinc/86/98/17/1165869817.db2.gz KYDDBJNXJQVWFN-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(Cl)n1 ZINC001581764990 1165869847 /nfs/dbraw/zinc/86/98/47/1165869847.db2.gz TXNDNDKLKNQUAS-UHFFFAOYSA-N -1 1 307.705 0.239 20 0 DCADMM Cn1cncc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001581814591 1165882198 /nfs/dbraw/zinc/88/21/98/1165882198.db2.gz UJRKMFABAJDSIH-UHFFFAOYSA-N -1 1 315.341 0.804 20 0 DCADMM Cn1cncc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001581814591 1165882202 /nfs/dbraw/zinc/88/22/02/1165882202.db2.gz UJRKMFABAJDSIH-UHFFFAOYSA-N -1 1 315.341 0.804 20 0 DCADMM Cn1nc(C2CC2)cc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581823312 1165884026 /nfs/dbraw/zinc/88/40/26/1165884026.db2.gz LQVSBMBSDUFEAD-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1nc(C2CC2)cc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581823312 1165884029 /nfs/dbraw/zinc/88/40/29/1165884029.db2.gz LQVSBMBSDUFEAD-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(Cl)c1N ZINC001581909120 1165908221 /nfs/dbraw/zinc/90/82/21/1165908221.db2.gz QCBIGJRXCRVQBD-UHFFFAOYSA-N -1 1 304.701 0.570 20 0 DCADMM O=C(C1CC1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001581923220 1165914773 /nfs/dbraw/zinc/91/47/73/1165914773.db2.gz PRLGJRAKGIIUQX-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C1CC1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001581923220 1165914780 /nfs/dbraw/zinc/91/47/80/1165914780.db2.gz PRLGJRAKGIIUQX-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@@H](O)c1ccccc1 ZINC001582137611 1165966104 /nfs/dbraw/zinc/96/61/04/1165966104.db2.gz DIWHXHLTHNFWFN-CQSZACIVSA-N -1 1 324.344 0.654 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@@H](O)c1ccccc1 ZINC001582137611 1165966113 /nfs/dbraw/zinc/96/61/13/1165966113.db2.gz DIWHXHLTHNFWFN-CQSZACIVSA-N -1 1 324.344 0.654 20 0 DCADMM O=C(Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1)N1CCCC1 ZINC001582207262 1165983701 /nfs/dbraw/zinc/98/37/01/1165983701.db2.gz FZMAOJUOUBVDRR-UHFFFAOYSA-N -1 1 324.348 0.748 20 0 DCADMM O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001582269723 1165994113 /nfs/dbraw/zinc/99/41/13/1165994113.db2.gz GMDRNNRWGYUBOE-DTWKUNHWSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001582269723 1165994120 /nfs/dbraw/zinc/99/41/20/1165994120.db2.gz GMDRNNRWGYUBOE-DTWKUNHWSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001582299982 1165998484 /nfs/dbraw/zinc/99/84/84/1165998484.db2.gz WHVLHGTVSOLNTC-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001582299982 1165998488 /nfs/dbraw/zinc/99/84/88/1165998488.db2.gz WHVLHGTVSOLNTC-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC[C@H](O)C1CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001582369263 1166006669 /nfs/dbraw/zinc/00/66/69/1166006669.db2.gz XMRVPABNXIBPFV-JTQLQIEISA-N -1 1 323.378 0.446 20 0 DCADMM O=C(NCc1ccc(CCO)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001582551328 1166038399 /nfs/dbraw/zinc/03/83/99/1166038399.db2.gz DTRUMPJCXVFYTF-UHFFFAOYSA-N -1 1 313.317 0.925 20 0 DCADMM O=C(NCc1ccc(CCO)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001582551328 1166038408 /nfs/dbraw/zinc/03/84/08/1166038408.db2.gz DTRUMPJCXVFYTF-UHFFFAOYSA-N -1 1 313.317 0.925 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCc2nccn2C1 ZINC001582554439 1166041160 /nfs/dbraw/zinc/04/11/60/1166041160.db2.gz JGSAJBTVMAFDAU-NSHDSACASA-N -1 1 324.348 0.337 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H](O)c1ccccn1 ZINC001582558141 1166043177 /nfs/dbraw/zinc/04/31/77/1166043177.db2.gz JDYGWSSAWUAESX-SNVBAGLBSA-N -1 1 317.334 0.068 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H](O)c1ccccn1 ZINC001582558141 1166043183 /nfs/dbraw/zinc/04/31/83/1166043183.db2.gz JDYGWSSAWUAESX-SNVBAGLBSA-N -1 1 317.334 0.068 20 0 DCADMM O=C(Nc1ccn(CCO)n1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001582648375 1166061957 /nfs/dbraw/zinc/06/19/57/1166061957.db2.gz ZZAUVJKHXIURAV-UHFFFAOYSA-N -1 1 315.297 0.095 20 0 DCADMM O=C(Nc1ccn(CCO)n1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001582648375 1166061962 /nfs/dbraw/zinc/06/19/62/1166061962.db2.gz ZZAUVJKHXIURAV-UHFFFAOYSA-N -1 1 315.297 0.095 20 0 DCADMM O=C1C[C@H](Oc2ccc(Nc3cncc(-c4nnn[n-]4)n3)cc2)N1 ZINC001582760986 1166077735 /nfs/dbraw/zinc/07/77/35/1166077735.db2.gz XJCUQAGYIHJJSW-ZDUSSCGKSA-N -1 1 324.304 0.625 20 0 DCADMM O=C1C[C@H](Oc2ccc(Nc3cncc(-c4nn[n-]n4)n3)cc2)N1 ZINC001582760986 1166077737 /nfs/dbraw/zinc/07/77/37/1166077737.db2.gz XJCUQAGYIHJJSW-ZDUSSCGKSA-N -1 1 324.304 0.625 20 0 DCADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CCn2ccnc21 ZINC001582802109 1166085571 /nfs/dbraw/zinc/08/55/71/1166085571.db2.gz YBTXHTAWXHTMCY-UHFFFAOYSA-N -1 1 323.363 0.334 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3C[C@H]3c3ccncc3)nc2n1 ZINC001584141835 1166311478 /nfs/dbraw/zinc/31/14/78/1166311478.db2.gz KFPDLUINDPYEIE-WDEREUQCSA-N -1 1 310.317 0.863 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)/C=C/c3nccs3)nc2n1 ZINC001584142276 1166312222 /nfs/dbraw/zinc/31/22/22/1166312222.db2.gz OEJNRKSAXMUHND-NSCUHMNNSA-N -1 1 302.319 0.834 20 0 DCADMM CCCCOCC(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001584634895 1166345494 /nfs/dbraw/zinc/34/54/94/1166345494.db2.gz BKCVGBNCFAWFPL-LBPRGKRZSA-N -1 1 321.377 0.935 20 0 DCADMM CCOC(=O)C(C)(C)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001586100120 1166478457 /nfs/dbraw/zinc/47/84/57/1166478457.db2.gz LWKLBMZYSXHCES-LLVKDONJSA-N -1 1 317.349 0.995 20 0 DCADMM CCC(=O)C1(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001588031932 1166515790 /nfs/dbraw/zinc/51/57/90/1166515790.db2.gz AVLJPXXSEQYDPM-UHFFFAOYSA-N -1 1 305.334 0.630 20 0 DCADMM CC(=O)N(C)C1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001588796932 1166588440 /nfs/dbraw/zinc/58/84/40/1166588440.db2.gz MBMOVGYYGRKCFN-UHFFFAOYSA-N -1 1 316.369 0.412 20 0 DCADMM CC(=O)N(C)C1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001588796932 1166588444 /nfs/dbraw/zinc/58/84/44/1166588444.db2.gz MBMOVGYYGRKCFN-UHFFFAOYSA-N -1 1 316.369 0.412 20 0 DCADMM CC(=O)N1C[C@H](C)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588806977 1166592664 /nfs/dbraw/zinc/59/26/64/1166592664.db2.gz QRSGRWKXHHLONG-WRWORJQWSA-N -1 1 302.342 0.244 20 0 DCADMM CC(=O)N1C[C@H](C)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588806977 1166592670 /nfs/dbraw/zinc/59/26/70/1166592670.db2.gz QRSGRWKXHHLONG-WRWORJQWSA-N -1 1 302.342 0.244 20 0 DCADMM CC(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588810889 1166595238 /nfs/dbraw/zinc/59/52/38/1166595238.db2.gz RMAUMGKMFIFAER-UHFFFAOYSA-N -1 1 316.369 0.139 20 0 DCADMM CC(=O)N1CCC[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588816168 1166596848 /nfs/dbraw/zinc/59/68/48/1166596848.db2.gz VKALWFAJHVJRIK-ONGXEEELSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588816168 1166596856 /nfs/dbraw/zinc/59/68/56/1166596856.db2.gz VKALWFAJHVJRIK-ONGXEEELSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCCC[C@H]1[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001588818327 1166598495 /nfs/dbraw/zinc/59/84/95/1166598495.db2.gz DRAWVRUSWCIQDM-CABZTGNLSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N1CCCC[C@H]1[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588818327 1166598503 /nfs/dbraw/zinc/59/85/03/1166598503.db2.gz DRAWVRUSWCIQDM-CABZTGNLSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001588841905 1166606149 /nfs/dbraw/zinc/60/61/49/1166606149.db2.gz RDLKGLVGQJYRKQ-SECBINFHSA-N -1 1 302.342 0.008 20 0 DCADMM CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001588841905 1166606152 /nfs/dbraw/zinc/60/61/52/1166606152.db2.gz RDLKGLVGQJYRKQ-SECBINFHSA-N -1 1 302.342 0.008 20 0 DCADMM CC(=O)NCCN(c1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001588864267 1166610799 /nfs/dbraw/zinc/61/07/99/1166610799.db2.gz BCVADLUKLILZLE-UHFFFAOYSA-N -1 1 307.383 0.737 20 0 DCADMM CC(=O)NCCC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001588858017 1166610949 /nfs/dbraw/zinc/61/09/49/1166610949.db2.gz QYMSDEWBCZJRMO-NSHDSACASA-N -1 1 316.369 0.542 20 0 DCADMM CC(=O)NCCC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001588858017 1166610953 /nfs/dbraw/zinc/61/09/53/1166610953.db2.gz QYMSDEWBCZJRMO-NSHDSACASA-N -1 1 316.369 0.542 20 0 DCADMM C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588964054 1166622127 /nfs/dbraw/zinc/62/21/27/1166622127.db2.gz WOUISGDKTVKESB-BBBLOLIVSA-N -1 1 302.342 0.278 20 0 DCADMM C[C@H](C(=O)NC1CCC=CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588973646 1166623353 /nfs/dbraw/zinc/62/33/53/1166623353.db2.gz UNWWMJGBJAMKMI-SECBINFHSA-N -1 1 302.342 0.634 20 0 DCADMM C[C@@H](C(=O)NCC1(C)CCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588978274 1166623543 /nfs/dbraw/zinc/62/35/43/1166623543.db2.gz JAJYKGYEYWXNRT-VIFPVBQESA-N -1 1 304.358 0.716 20 0 DCADMM C[C@@H](C(=O)NCCCOC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588992256 1166626611 /nfs/dbraw/zinc/62/66/11/1166626611.db2.gz YXVRPQWWGVCRLG-VIFPVBQESA-N -1 1 322.373 0.341 20 0 DCADMM C[C@@H](C(=O)OCCCC(C)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001589027279 1166630246 /nfs/dbraw/zinc/63/02/46/1166630246.db2.gz MSUYIEOGDHXFMD-ZETCQYMHSA-N -1 1 315.284 0.998 20 0 DCADMM CC(C)(C)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001589084871 1166633950 /nfs/dbraw/zinc/63/39/50/1166633950.db2.gz OHTHQZNJEXECCB-SNAWJCMRSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001589084871 1166633954 /nfs/dbraw/zinc/63/39/54/1166633954.db2.gz OHTHQZNJEXECCB-SNAWJCMRSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)OC(=O)[C@@](C)(O)CNc1nccnc1-c1nnn[n-]1 ZINC001589144948 1166638105 /nfs/dbraw/zinc/63/81/05/1166638105.db2.gz AJGZAHLUGXTOFL-ZDUSSCGKSA-N -1 1 321.341 0.161 20 0 DCADMM CC(C)(C)OC(=O)[C@@](C)(O)CNc1nccnc1-c1nn[n-]n1 ZINC001589144948 1166638112 /nfs/dbraw/zinc/63/81/12/1166638112.db2.gz AJGZAHLUGXTOFL-ZDUSSCGKSA-N -1 1 321.341 0.161 20 0 DCADMM CC(C)(CO)CCCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589293841 1166645150 /nfs/dbraw/zinc/64/51/50/1166645150.db2.gz OGDIEOOAWUNGJS-UHFFFAOYSA-N -1 1 318.381 0.719 20 0 DCADMM CC(C)(CO)CCCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589293841 1166645158 /nfs/dbraw/zinc/64/51/58/1166645158.db2.gz OGDIEOOAWUNGJS-UHFFFAOYSA-N -1 1 318.381 0.719 20 0 DCADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ncccn1 ZINC001589319782 1166646869 /nfs/dbraw/zinc/64/68/69/1166646869.db2.gz VKQJVKRXTGEGIX-UHFFFAOYSA-N -1 1 310.321 0.717 20 0 DCADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ncccn1 ZINC001589319782 1166646873 /nfs/dbraw/zinc/64/68/73/1166646873.db2.gz VKQJVKRXTGEGIX-UHFFFAOYSA-N -1 1 310.321 0.717 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589404662 1166657559 /nfs/dbraw/zinc/65/75/59/1166657559.db2.gz OWFWOLVDFMWMPZ-SECBINFHSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589404662 1166657562 /nfs/dbraw/zinc/65/75/62/1166657562.db2.gz OWFWOLVDFMWMPZ-SECBINFHSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)[C@H]1C(=O)NCCN1Cc1csc(-c2nn[n-]n2)c1 ZINC001589500246 1166662815 /nfs/dbraw/zinc/66/28/15/1166662815.db2.gz YQEUXAQEWBGDKN-NSHDSACASA-N -1 1 306.395 0.885 20 0 DCADMM CC(C)[C@@H]1C(=O)NCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589499351 1166663734 /nfs/dbraw/zinc/66/37/34/1166663734.db2.gz NGVMYYFYKZMZIO-SNVBAGLBSA-N -1 1 320.378 0.525 20 0 DCADMM CC(C)[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCO1 ZINC001589516974 1166665493 /nfs/dbraw/zinc/66/54/93/1166665493.db2.gz JLUGPDRSYGFQLV-LBPRGKRZSA-N -1 1 304.354 0.343 20 0 DCADMM CC(C)N1CCN(Cc2csc(-c3nn[n-]n3)c2)CC1=O ZINC001589714020 1166672489 /nfs/dbraw/zinc/67/24/89/1166672489.db2.gz BATYYYJBRQDXPE-UHFFFAOYSA-N -1 1 306.395 0.981 20 0 DCADMM CC(C)NC(=O)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589719702 1166676932 /nfs/dbraw/zinc/67/69/32/1166676932.db2.gz DUJKKFLUQKPVDE-ZETCQYMHSA-N -1 1 308.367 0.571 20 0 DCADMM CC(C)NC(=O)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589719702 1166676934 /nfs/dbraw/zinc/67/69/34/1166676934.db2.gz DUJKKFLUQKPVDE-ZETCQYMHSA-N -1 1 308.367 0.571 20 0 DCADMM CC(C)OC(=O)CCCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589733201 1166678990 /nfs/dbraw/zinc/67/89/90/1166678990.db2.gz HRLJQACZGXTNSJ-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CC(C)OC(=O)CCCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589733201 1166678995 /nfs/dbraw/zinc/67/89/95/1166678995.db2.gz HRLJQACZGXTNSJ-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CC(C)NC(=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589725320 1166679388 /nfs/dbraw/zinc/67/93/88/1166679388.db2.gz OHAYJCLNHWTQBO-JTQLQIEISA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)NC(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589725320 1166679391 /nfs/dbraw/zinc/67/93/91/1166679391.db2.gz OHAYJCLNHWTQBO-JTQLQIEISA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CC1CCC1)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589802408 1166691094 /nfs/dbraw/zinc/69/10/94/1166691094.db2.gz VZRYLESBJKNMAQ-SECBINFHSA-N -1 1 319.373 0.336 20 0 DCADMM C[C@H](CCO)C1(CNc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001589834074 1166695876 /nfs/dbraw/zinc/69/58/76/1166695876.db2.gz ZZQHSNNWIANHNS-SNVBAGLBSA-N -1 1 303.370 0.679 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1nccnc1-c1nnn[n-]1 ZINC001589859773 1166703821 /nfs/dbraw/zinc/70/38/21/1166703821.db2.gz BLTUTDRSEJUDRE-CIUDSAMLSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1nccnc1-c1nn[n-]n1 ZINC001589859773 1166703827 /nfs/dbraw/zinc/70/38/27/1166703827.db2.gz BLTUTDRSEJUDRE-CIUDSAMLSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H](COCC1CC1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589885674 1166707837 /nfs/dbraw/zinc/70/78/37/1166707837.db2.gz OQCZFADNZRFWCI-VIFPVBQESA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](COCC1CC1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589885674 1166707843 /nfs/dbraw/zinc/70/78/43/1166707843.db2.gz OQCZFADNZRFWCI-VIFPVBQESA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](Cn1cncn1)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589903903 1166713512 /nfs/dbraw/zinc/71/35/12/1166713512.db2.gz LNKRZAPIVQWEEO-QMMMGPOBSA-N -1 1 316.300 0.416 20 0 DCADMM C[C@@H](Cn1cncn1)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589903903 1166713518 /nfs/dbraw/zinc/71/35/18/1166713518.db2.gz LNKRZAPIVQWEEO-QMMMGPOBSA-N -1 1 316.300 0.416 20 0 DCADMM C[C@@](NCc1ccc(-c2nnn[n-]2)o1)(C(N)=O)c1ccccc1 ZINC001589969331 1166733852 /nfs/dbraw/zinc/73/38/52/1166733852.db2.gz ZCUQUDBXMBOPDN-HNNXBMFYSA-N -1 1 312.333 0.950 20 0 DCADMM C[C@@](NCc1ccc(-c2nn[n-]n2)o1)(C(N)=O)c1ccccc1 ZINC001589969331 1166733856 /nfs/dbraw/zinc/73/38/56/1166733856.db2.gz ZCUQUDBXMBOPDN-HNNXBMFYSA-N -1 1 312.333 0.950 20 0 DCADMM C[C@](O)(C[C@H](O)COc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001589991980 1166738714 /nfs/dbraw/zinc/73/87/14/1166738714.db2.gz XTUBTJDRYTWSNX-HZMBPMFUSA-N -1 1 305.338 0.553 20 0 DCADMM C[C@](O)(C[C@H](O)COc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001589991980 1166738723 /nfs/dbraw/zinc/73/87/23/1166738723.db2.gz XTUBTJDRYTWSNX-HZMBPMFUSA-N -1 1 305.338 0.553 20 0 DCADMM CC1(C)C(C)(C)C1(C)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590075788 1166764744 /nfs/dbraw/zinc/76/47/44/1166764744.db2.gz ISWGIUSCNKAYII-UHFFFAOYSA-N -1 1 318.385 0.647 20 0 DCADMM CC1(C)CC(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590081396 1166769185 /nfs/dbraw/zinc/76/91/85/1166769185.db2.gz XNFWUMGUSYECPJ-UHFFFAOYSA-N -1 1 320.378 0.669 20 0 DCADMM CC1(C)CC(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590081396 1166769190 /nfs/dbraw/zinc/76/91/90/1166769190.db2.gz XNFWUMGUSYECPJ-UHFFFAOYSA-N -1 1 320.378 0.669 20 0 DCADMM CC1(C)CC[C@@H](CO)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590089710 1166770076 /nfs/dbraw/zinc/77/00/76/1166770076.db2.gz CEZHQHIJJQNVAT-JTQLQIEISA-N -1 1 316.365 0.885 20 0 DCADMM CC1(C)CC[C@@H](CO)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590089710 1166770078 /nfs/dbraw/zinc/77/00/78/1166770078.db2.gz CEZHQHIJJQNVAT-JTQLQIEISA-N -1 1 316.365 0.885 20 0 DCADMM CC1(C)C[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590112977 1166779059 /nfs/dbraw/zinc/77/90/59/1166779059.db2.gz GWLKWHXNHPTZCT-QMMMGPOBSA-N -1 1 301.310 0.115 20 0 DCADMM CC1(C)C[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590112977 1166779064 /nfs/dbraw/zinc/77/90/64/1166779064.db2.gz GWLKWHXNHPTZCT-QMMMGPOBSA-N -1 1 301.310 0.115 20 0 DCADMM CC1(CCNS(=O)(=O)c2cccnc2-c2nn[n-]n2)CC1 ZINC001590127645 1166782374 /nfs/dbraw/zinc/78/23/74/1166782374.db2.gz QJTYSRZUBVZTAK-UHFFFAOYSA-N -1 1 308.367 0.730 20 0 DCADMM CC1(C)OCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590119982 1166783156 /nfs/dbraw/zinc/78/31/56/1166783156.db2.gz WDMPVFDUKFGTLY-SNVBAGLBSA-N -1 1 324.366 0.108 20 0 DCADMM CC1(C)OCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590119982 1166783161 /nfs/dbraw/zinc/78/31/61/1166783161.db2.gz WDMPVFDUKFGTLY-SNVBAGLBSA-N -1 1 324.366 0.108 20 0 DCADMM CC1(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)OCCO1 ZINC001590132299 1166786151 /nfs/dbraw/zinc/78/61/51/1166786151.db2.gz SBAKKLPRYQPILZ-UHFFFAOYSA-N -1 1 305.298 0.146 20 0 DCADMM CC1(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)OCCO1 ZINC001590132299 1166786155 /nfs/dbraw/zinc/78/61/55/1166786155.db2.gz SBAKKLPRYQPILZ-UHFFFAOYSA-N -1 1 305.298 0.146 20 0 DCADMM CC1=C(C)CN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590160129 1166792425 /nfs/dbraw/zinc/79/24/25/1166792425.db2.gz QQCJIABERROIKR-SNVBAGLBSA-N -1 1 302.342 0.588 20 0 DCADMM C[C@H]1[C@@H](CO)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590168243 1166797597 /nfs/dbraw/zinc/79/75/97/1166797597.db2.gz JWEHCJDYQDQHEU-GXSJLCMTSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1[C@@H](CO)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590168243 1166797602 /nfs/dbraw/zinc/79/76/02/1166797602.db2.gz JWEHCJDYQDQHEU-GXSJLCMTSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)CC(=O)N1C ZINC001590181251 1166801164 /nfs/dbraw/zinc/80/11/64/1166801164.db2.gz NEGHXGOMGNAGIP-NKWVEPMBSA-N -1 1 307.335 0.704 20 0 DCADMM C[C@H]1[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)CC(=O)N1C ZINC001590181251 1166801169 /nfs/dbraw/zinc/80/11/69/1166801169.db2.gz NEGHXGOMGNAGIP-NKWVEPMBSA-N -1 1 307.335 0.704 20 0 DCADMM C[C@H]1CC(NC(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001590203126 1166812121 /nfs/dbraw/zinc/81/21/21/1166812121.db2.gz MKEKXNGTSWRFBR-IUCAKERBSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@H]1CC(NC(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001590203126 1166812130 /nfs/dbraw/zinc/81/21/30/1166812130.db2.gz MKEKXNGTSWRFBR-IUCAKERBSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)[C@H](C)O1 ZINC001590202127 1166813918 /nfs/dbraw/zinc/81/39/18/1166813918.db2.gz WDKPSYIBIFHHOX-CSMHCCOUSA-N -1 1 323.382 0.688 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)[C@H](C)O1 ZINC001590202127 1166813924 /nfs/dbraw/zinc/81/39/24/1166813924.db2.gz WDKPSYIBIFHHOX-CSMHCCOUSA-N -1 1 323.382 0.688 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001590216618 1166815953 /nfs/dbraw/zinc/81/59/53/1166815953.db2.gz VJXWKJDRJVNEBR-DTWKUNHWSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001590216618 1166815961 /nfs/dbraw/zinc/81/59/61/1166815961.db2.gz VJXWKJDRJVNEBR-DTWKUNHWSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CS1(=O)=O ZINC001590238414 1166823881 /nfs/dbraw/zinc/82/38/81/1166823881.db2.gz UCDNQJODZJYEOE-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CS1(=O)=O ZINC001590238414 1166823889 /nfs/dbraw/zinc/82/38/89/1166823889.db2.gz UCDNQJODZJYEOE-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CCC[C@@]1(O)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590247546 1166826019 /nfs/dbraw/zinc/82/60/19/1166826019.db2.gz JVCIOQJCIJVXEB-ISVAXAHUSA-N -1 1 320.357 0.273 20 0 DCADMM C[C@H]1CCC[C@@]1(O)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590247546 1166826025 /nfs/dbraw/zinc/82/60/25/1166826025.db2.gz JVCIOQJCIJVXEB-ISVAXAHUSA-N -1 1 320.357 0.273 20 0 DCADMM C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590253779 1166826910 /nfs/dbraw/zinc/82/69/10/1166826910.db2.gz JDUWKTDOKJFEPX-UTLUCORTSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@H]1CCC[C@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)O1 ZINC001590242884 1166827804 /nfs/dbraw/zinc/82/78/04/1166827804.db2.gz MQAVLZHGYATNEZ-DTWKUNHWSA-N -1 1 320.357 0.679 20 0 DCADMM C[C@H]1CCC[C@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)O1 ZINC001590242884 1166827806 /nfs/dbraw/zinc/82/78/06/1166827806.db2.gz MQAVLZHGYATNEZ-DTWKUNHWSA-N -1 1 320.357 0.679 20 0 DCADMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC001590274268 1166833843 /nfs/dbraw/zinc/83/38/43/1166833843.db2.gz HZYIZLXUOYVHJD-VIFPVBQESA-N -1 1 308.367 0.275 20 0 DCADMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)CCS1(=O)=O ZINC001590274268 1166833848 /nfs/dbraw/zinc/83/38/48/1166833848.db2.gz HZYIZLXUOYVHJD-VIFPVBQESA-N -1 1 308.367 0.275 20 0 DCADMM C[C@H]1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC[S@@]1=O ZINC001590272724 1166835890 /nfs/dbraw/zinc/83/58/90/1166835890.db2.gz RCUWWOQNTNUEDR-FHZGZLOMSA-N -1 1 312.424 0.666 20 0 DCADMM C[C@H]1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC[S@@]1=O ZINC001590272724 1166835895 /nfs/dbraw/zinc/83/58/95/1166835895.db2.gz RCUWWOQNTNUEDR-FHZGZLOMSA-N -1 1 312.424 0.666 20 0 DCADMM C[C@H]1CCS(=O)(=O)N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590278468 1166839790 /nfs/dbraw/zinc/83/97/90/1166839790.db2.gz QXGSPEKZKHBWJU-LURJTMIESA-N -1 1 300.369 0.247 20 0 DCADMM C[C@H]1CCS(=O)(=O)N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590278468 1166839793 /nfs/dbraw/zinc/83/97/93/1166839793.db2.gz QXGSPEKZKHBWJU-LURJTMIESA-N -1 1 300.369 0.247 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@@H](C)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590286209 1166841194 /nfs/dbraw/zinc/84/11/94/1166841194.db2.gz ZGECAQXSWAQJOM-IMSYWVGJSA-N -1 1 304.358 0.522 20 0 DCADMM C[C@H]1CN(C)C(=O)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001590304474 1166852629 /nfs/dbraw/zinc/85/26/29/1166852629.db2.gz RICXTCSAMOFHKV-YFKPBYRVSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@H]1CN(C)C(=O)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001590304474 1166852634 /nfs/dbraw/zinc/85/26/34/1166852634.db2.gz RICXTCSAMOFHKV-YFKPBYRVSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@]2(CCCOC2)O1 ZINC001590317514 1166864073 /nfs/dbraw/zinc/86/40/73/1166864073.db2.gz BVWJMFALJOXSGJ-IINYFYTJSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@]2(CCCOC2)O1 ZINC001590317514 1166864079 /nfs/dbraw/zinc/86/40/79/1166864079.db2.gz BVWJMFALJOXSGJ-IINYFYTJSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1COCCCN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590325151 1166864784 /nfs/dbraw/zinc/86/47/84/1166864784.db2.gz HJLOZGFMWLCUNU-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM C[C@@H]1OCC[C@@]1(C)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590336576 1166872834 /nfs/dbraw/zinc/87/28/34/1166872834.db2.gz QIHZKZCWTYQZGV-JVXZTZIISA-N -1 1 323.382 0.690 20 0 DCADMM C[C@@H]1OCC[C@@]1(C)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590336576 1166872839 /nfs/dbraw/zinc/87/28/39/1166872839.db2.gz QIHZKZCWTYQZGV-JVXZTZIISA-N -1 1 323.382 0.690 20 0 DCADMM C[C@@H]1c2nncn2CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590340061 1166875922 /nfs/dbraw/zinc/87/59/22/1166875922.db2.gz ZLGMURHRFOJQHJ-MRVPVSSYSA-N -1 1 311.309 0.070 20 0 DCADMM C[C@@H]1c2nncn2CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590340061 1166875928 /nfs/dbraw/zinc/87/59/28/1166875928.db2.gz ZLGMURHRFOJQHJ-MRVPVSSYSA-N -1 1 311.309 0.070 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590349457 1166878513 /nfs/dbraw/zinc/87/85/13/1166878513.db2.gz KBNWTVUNODZMGB-BNFOFFDWSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590349457 1166878517 /nfs/dbraw/zinc/87/85/17/1166878517.db2.gz KBNWTVUNODZMGB-BNFOFFDWSA-N -1 1 314.353 0.318 20 0 DCADMM CCC(=CC(=O)NCCNc1ccc(-c2nnn[n-]2)nn1)CC ZINC001590355774 1166881760 /nfs/dbraw/zinc/88/17/60/1166881760.db2.gz FQUZJWOWNJIFKV-UHFFFAOYSA-N -1 1 316.369 0.931 20 0 DCADMM CCC(=CC(=O)NCCNc1ccc(-c2nn[n-]n2)nn1)CC ZINC001590355774 1166881766 /nfs/dbraw/zinc/88/17/66/1166881766.db2.gz FQUZJWOWNJIFKV-UHFFFAOYSA-N -1 1 316.369 0.931 20 0 DCADMM C/C=C(/C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001590353492 1166882002 /nfs/dbraw/zinc/88/20/02/1166882002.db2.gz JFFRIKQEKIHZFJ-HYHWUIIZSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(/C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001590353492 1166882009 /nfs/dbraw/zinc/88/20/09/1166882009.db2.gz JFFRIKQEKIHZFJ-HYHWUIIZSA-N -1 1 316.369 0.564 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001590360606 1166884524 /nfs/dbraw/zinc/88/45/24/1166884524.db2.gz APTGUBAABJDJHT-DTWKUNHWSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590360606 1166884526 /nfs/dbraw/zinc/88/45/26/1166884526.db2.gz APTGUBAABJDJHT-DTWKUNHWSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N[C@@H](C)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590363688 1166887620 /nfs/dbraw/zinc/88/76/20/1166887620.db2.gz OUODZHWLPDULGJ-VIFPVBQESA-N -1 1 304.358 0.316 20 0 DCADMM CCC(=O)N[C@@H](C)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590363688 1166887626 /nfs/dbraw/zinc/88/76/26/1166887626.db2.gz OUODZHWLPDULGJ-VIFPVBQESA-N -1 1 304.358 0.316 20 0 DCADMM CCC(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001590364363 1166889337 /nfs/dbraw/zinc/88/93/37/1166889337.db2.gz ZOAHJLCRFLLOBR-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CCC(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001590364363 1166889344 /nfs/dbraw/zinc/88/93/44/1166889344.db2.gz ZOAHJLCRFLLOBR-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CCC(=O)NC[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590364299 1166889493 /nfs/dbraw/zinc/88/94/93/1166889493.db2.gz TYQHVJYWZCTYLT-QMMMGPOBSA-N -1 1 304.358 0.546 20 0 DCADMM CCC(=O)NC[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590364299 1166889499 /nfs/dbraw/zinc/88/94/99/1166889499.db2.gz TYQHVJYWZCTYLT-QMMMGPOBSA-N -1 1 304.358 0.546 20 0 DCADMM CC[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)N1CCCC1=O ZINC001590370272 1166891538 /nfs/dbraw/zinc/89/15/38/1166891538.db2.gz COYVDHKSRRJCQZ-JTQLQIEISA-N -1 1 319.321 0.904 20 0 DCADMM CC[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)N1CCCC1=O ZINC001590370272 1166891543 /nfs/dbraw/zinc/89/15/43/1166891543.db2.gz COYVDHKSRRJCQZ-JTQLQIEISA-N -1 1 319.321 0.904 20 0 DCADMM CCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001590375126 1166893207 /nfs/dbraw/zinc/89/32/07/1166893207.db2.gz WADROEIAUDASDS-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001590375126 1166893217 /nfs/dbraw/zinc/89/32/17/1166893217.db2.gz WADROEIAUDASDS-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM 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1167172410 /nfs/dbraw/zinc/17/24/10/1167172410.db2.gz IUVQIJBMOWLZMM-ZDUSSCGKSA-N -1 1 306.301 0.349 20 0 DCADMM COC(=O)[C@@]1(C)CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591244089 1167172899 /nfs/dbraw/zinc/17/28/99/1167172899.db2.gz JOJCMLGQASIVSY-ZDUSSCGKSA-N -1 1 321.362 0.953 20 0 DCADMM COC(=O)[C@@]1(C)CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001591244089 1167172902 /nfs/dbraw/zinc/17/29/02/1167172902.db2.gz JOJCMLGQASIVSY-ZDUSSCGKSA-N -1 1 321.362 0.953 20 0 DCADMM COC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001591244114 1167173307 /nfs/dbraw/zinc/17/33/07/1167173307.db2.gz JWHIBZGQMQWDCH-AWEZNQCLSA-N -1 1 319.321 0.875 20 0 DCADMM COC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591244114 1167173310 /nfs/dbraw/zinc/17/33/10/1167173310.db2.gz JWHIBZGQMQWDCH-AWEZNQCLSA-N -1 1 319.321 0.875 20 0 DCADMM COC(=O)[C@H]1CC12CCN(c1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001591247909 1167177092 /nfs/dbraw/zinc/17/70/92/1167177092.db2.gz HGTYDJZWAQYSOF-SECBINFHSA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)[C@H]1CC12CCN(c1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001591247909 1167177096 /nfs/dbraw/zinc/17/70/96/1167177096.db2.gz HGTYDJZWAQYSOF-SECBINFHSA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001591250785 1167177187 /nfs/dbraw/zinc/17/71/87/1167177187.db2.gz URUAFOGYCGXXMA-ONGXEEELSA-N -1 1 323.378 0.427 20 0 DCADMM COC(=O)/C=C\[C@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591255546 1167182050 /nfs/dbraw/zinc/18/20/50/1167182050.db2.gz CGIKZEOHMOPLET-AVALRIAPSA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)/C=C\[C@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591255546 1167182055 /nfs/dbraw/zinc/18/20/55/1167182055.db2.gz CGIKZEOHMOPLET-AVALRIAPSA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)CCN(CC(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001591264230 1167186864 /nfs/dbraw/zinc/18/68/64/1167186864.db2.gz CBTQIZHKRIYXSR-UHFFFAOYSA-N -1 1 305.342 0.682 20 0 DCADMM COC(=O)CCN(CC(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001591264230 1167186871 /nfs/dbraw/zinc/18/68/71/1167186871.db2.gz 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COC(=O)C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591270238 1167191363 /nfs/dbraw/zinc/19/13/63/1167191363.db2.gz OGJKDLHPGZZEBP-BDAKNGLRSA-N -1 1 319.321 0.921 20 0 DCADMM COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001591283416 1167200264 /nfs/dbraw/zinc/20/02/64/1167200264.db2.gz NIBZIOAZDKSGAV-OCAPTIKFSA-N -1 1 305.294 0.483 20 0 DCADMM COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591283416 1167200272 /nfs/dbraw/zinc/20/02/72/1167200272.db2.gz NIBZIOAZDKSGAV-OCAPTIKFSA-N -1 1 305.294 0.483 20 0 DCADMM COC(=O)c1n[nH]cc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591307201 1167205544 /nfs/dbraw/zinc/20/55/44/1167205544.db2.gz HIJQEHAEOKIMGV-UHFFFAOYSA-N -1 1 303.238 0.222 20 0 DCADMM COC(=O)c1n[nH]cc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591307201 1167205550 /nfs/dbraw/zinc/20/55/50/1167205550.db2.gz HIJQEHAEOKIMGV-UHFFFAOYSA-N -1 1 303.238 0.222 20 0 DCADMM COC(=O)c1coc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001591308006 1167207589 /nfs/dbraw/zinc/20/75/89/1167207589.db2.gz UWUZHZWTTTYGRX-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM CO[C@@](C)(CO)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591318468 1167212999 /nfs/dbraw/zinc/21/29/99/1167212999.db2.gz AHIQCIXDJHPXPC-CYBMUJFWSA-N -1 1 305.342 0.343 20 0 DCADMM CO[C@@](C)(CO)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591318468 1167213002 /nfs/dbraw/zinc/21/30/02/1167213002.db2.gz AHIQCIXDJHPXPC-CYBMUJFWSA-N -1 1 305.342 0.343 20 0 DCADMM CO[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC001591329326 1167217248 /nfs/dbraw/zinc/21/72/48/1167217248.db2.gz PAIXKDTVUHFMQL-GFCCVEGCSA-N -1 1 311.349 0.748 20 0 DCADMM CO[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC[C@H]1C ZINC001591360120 1167233476 /nfs/dbraw/zinc/23/34/76/1167233476.db2.gz HSDZOLUCWJLSSG-SKDRFNHKSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC[C@H]1C ZINC001591360120 1167233483 /nfs/dbraw/zinc/23/34/83/1167233483.db2.gz HSDZOLUCWJLSSG-SKDRFNHKSA-N -1 1 302.338 0.759 20 0 DCADMM COC[C@@](C)(O)CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591371361 1167245554 /nfs/dbraw/zinc/24/55/54/1167245554.db2.gz REHKMGGSAXHELD-AWEZNQCLSA-N -1 1 319.369 0.734 20 0 DCADMM COC[C@@](C)(O)CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591371361 1167245561 /nfs/dbraw/zinc/24/55/61/1167245561.db2.gz REHKMGGSAXHELD-AWEZNQCLSA-N -1 1 319.369 0.734 20 0 DCADMM COC[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001591382517 1167252749 /nfs/dbraw/zinc/25/27/49/1167252749.db2.gz UJJOTAFBKYCUFI-NSHDSACASA-N -1 1 321.337 0.631 20 0 DCADMM COC[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001591382517 1167252755 /nfs/dbraw/zinc/25/27/55/1167252755.db2.gz UJJOTAFBKYCUFI-NSHDSACASA-N -1 1 321.337 0.631 20 0 DCADMM COC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC001591381555 1167252951 /nfs/dbraw/zinc/25/29/51/1167252951.db2.gz SDFYLTBFBQJQAQ-DTWKUNHWSA-N -1 1 323.378 0.852 20 0 DCADMM COC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC001591381555 1167252958 /nfs/dbraw/zinc/25/29/58/1167252958.db2.gz SDFYLTBFBQJQAQ-DTWKUNHWSA-N -1 1 323.378 0.852 20 0 DCADMM COCC1(NC(=O)c2cccc(-c3nnn[n-]3)n2)CCCC1 ZINC001591388733 1167257737 /nfs/dbraw/zinc/25/77/37/1167257737.db2.gz KEZXKAMHRIPQNT-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM COCC1(NC(=O)c2cccc(-c3nn[n-]n3)n2)CCCC1 ZINC001591388733 1167257744 /nfs/dbraw/zinc/25/77/44/1167257744.db2.gz KEZXKAMHRIPQNT-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM COCCN1CCN(Cc2csc(-c3nn[n-]n3)c2)CC1=O ZINC001591430799 1167283606 /nfs/dbraw/zinc/28/36/06/1167283606.db2.gz YLQRJIYYXDTJSL-UHFFFAOYSA-N -1 1 322.394 0.219 20 0 DCADMM COCCc1noc(CN(C)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001591448050 1167288900 /nfs/dbraw/zinc/28/89/00/1167288900.db2.gz VMECWECBAPQDGJ-UHFFFAOYSA-N -1 1 316.325 0.470 20 0 DCADMM COCCc1noc(CN(C)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001591448050 1167288906 /nfs/dbraw/zinc/28/89/06/1167288906.db2.gz VMECWECBAPQDGJ-UHFFFAOYSA-N -1 1 316.325 0.470 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1cnc(C2CC2)o1 ZINC001591474822 1167306703 /nfs/dbraw/zinc/30/67/03/1167306703.db2.gz JMWDWWUKPTVYTB-UHFFFAOYSA-N -1 1 314.305 0.951 20 0 DCADMM COc1ccc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001591595645 1167336171 /nfs/dbraw/zinc/33/61/71/1167336171.db2.gz VENVMLPTLLJAMF-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1ccc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001591595645 1167336177 /nfs/dbraw/zinc/33/61/77/1167336177.db2.gz VENVMLPTLLJAMF-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1cccc([C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001591637597 1167341307 /nfs/dbraw/zinc/34/13/07/1167341307.db2.gz QMMHEJSNHOIQCC-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM COc1cccc([C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001591637597 1167341311 /nfs/dbraw/zinc/34/13/11/1167341311.db2.gz QMMHEJSNHOIQCC-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccnc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001591656498 1167342968 /nfs/dbraw/zinc/34/29/68/1167342968.db2.gz QPBAHXAWGVFIIZ-ZETCQYMHSA-N -1 1 315.297 0.062 20 0 DCADMM COc1coc(COc2cnc(-c3nn[n-]n3)nc2)cc1=O ZINC001591659804 1167344504 /nfs/dbraw/zinc/34/45/04/1167344504.db2.gz GFVBQKCPXFXCRQ-UHFFFAOYSA-N -1 1 302.250 0.198 20 0 DCADMM COc1cncnc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591658909 1167344518 /nfs/dbraw/zinc/34/45/18/1167344518.db2.gz JAXVHIMBQYZAFV-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1cncnc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591658909 1167344522 /nfs/dbraw/zinc/34/45/22/1167344522.db2.gz JAXVHIMBQYZAFV-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1ncc(NC(=O)C2CC(OC)C2)cc1-c1nn[n-]n1 ZINC001591664899 1167345533 /nfs/dbraw/zinc/34/55/33/1167345533.db2.gz OUIWAQFRCPKUGP-UHFFFAOYSA-N -1 1 304.310 0.634 20 0 DCADMM COc1ncc(NC(=O)CC2CSC2)cc1-c1nn[n-]n1 ZINC001591665720 1167345798 /nfs/dbraw/zinc/34/57/98/1167345798.db2.gz YXKOLVCLBXNRAV-UHFFFAOYSA-N -1 1 306.351 0.962 20 0 DCADMM COc1nn(C)cc1CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591670096 1167346664 /nfs/dbraw/zinc/34/66/64/1167346664.db2.gz PWRHDNKIFPMMJZ-UHFFFAOYSA-N -1 1 300.326 0.924 20 0 DCADMM COc1nn(C)cc1CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591670096 1167346670 /nfs/dbraw/zinc/34/66/70/1167346670.db2.gz PWRHDNKIFPMMJZ-UHFFFAOYSA-N -1 1 300.326 0.924 20 0 DCADMM COc1ncc(NC(=O)N2CCOCC2)cc1-c1nn[n-]n1 ZINC001591666261 1167347067 /nfs/dbraw/zinc/34/70/67/1167347067.db2.gz KXDUKARXDXODSS-UHFFFAOYSA-N -1 1 305.298 0.134 20 0 DCADMM C[S@](=O)C1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001591682737 1167352167 /nfs/dbraw/zinc/35/21/67/1167352167.db2.gz LNHAFEBXMHBANQ-QFIPXVFZSA-N -1 1 320.378 0.293 20 0 DCADMM C[S@](=O)C1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001591682737 1167352172 /nfs/dbraw/zinc/35/21/72/1167352172.db2.gz LNHAFEBXMHBANQ-QFIPXVFZSA-N -1 1 320.378 0.293 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)NN2CCCC2)cc1-c1nn[n-]n1 ZINC001591706039 1167359810 /nfs/dbraw/zinc/35/98/10/1167359810.db2.gz XLLXFNJHVWLVCJ-UHFFFAOYSA-N -1 1 321.366 0.430 20 0 DCADMM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001591719650 1167361473 /nfs/dbraw/zinc/36/14/73/1167361473.db2.gz KMQGQBOERFDCDY-YFKPBYRVSA-N -1 1 317.352 0.022 20 0 DCADMM CSc1cccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)n1 ZINC001591715188 1167362154 /nfs/dbraw/zinc/36/21/54/1167362154.db2.gz GJBKACPJMFQZBH-UHFFFAOYSA-N -1 1 302.323 0.959 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001591775938 1167374170 /nfs/dbraw/zinc/37/41/70/1167374170.db2.gz NZRRHRFLAMPCFH-QEYWKRMJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001591775938 1167374179 /nfs/dbraw/zinc/37/41/79/1167374179.db2.gz NZRRHRFLAMPCFH-QEYWKRMJSA-N -1 1 314.353 0.372 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)COc1ccccc1-c1nn[nH]n1 ZINC001591779329 1167375686 /nfs/dbraw/zinc/37/56/86/1167375686.db2.gz GKQGQKPLDAZAFZ-UHFFFAOYSA-N -1 1 315.293 0.621 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC=CC1 ZINC001591794422 1167380895 /nfs/dbraw/zinc/38/08/95/1167380895.db2.gz TYPKSRVNWOIESC-UHFFFAOYSA-N -1 1 314.349 0.915 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(CC2CCC(C)CC2)c(=O)n1C ZINC001591793991 1167381273 /nfs/dbraw/zinc/38/12/73/1167381273.db2.gz SRBULKKXZRFWFN-UHFFFAOYSA-N -1 1 318.381 0.862 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(C)C1 ZINC001591793031 1167381499 /nfs/dbraw/zinc/38/14/99/1167381499.db2.gz GDAFAEYKSIMHOZ-UHFFFAOYSA-N -1 1 316.365 0.995 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@](CO)(C(C)C)C2)n1 ZINC001591886171 1167410481 /nfs/dbraw/zinc/41/04/81/1167410481.db2.gz HCYDYFNBIRJRFC-AWEZNQCLSA-N -1 1 303.370 0.810 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@](CO)(C(C)C)C2)n1 ZINC001591886171 1167410483 /nfs/dbraw/zinc/41/04/83/1167410483.db2.gz HCYDYFNBIRJRFC-AWEZNQCLSA-N -1 1 303.370 0.810 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@](C)(O)c2ccco2)n1 ZINC001591893911 1167413343 /nfs/dbraw/zinc/41/33/43/1167413343.db2.gz IMTRPNQURCUOGY-CYBMUJFWSA-N -1 1 301.310 0.878 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@](C)(O)c2ccco2)n1 ZINC001591893911 1167413345 /nfs/dbraw/zinc/41/33/45/1167413345.db2.gz IMTRPNQURCUOGY-CYBMUJFWSA-N -1 1 301.310 0.878 20 0 DCADMM Cc1cc(NC[C@H]2CCCCS2(=O)=O)cc(-c2nnn[n-]2)n1 ZINC001592044777 1167443483 /nfs/dbraw/zinc/44/34/83/1167443483.db2.gz XZDHZMADFCNMMZ-LLVKDONJSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1cc(NC[C@H]2CCCCS2(=O)=O)cc(-c2nn[n-]n2)n1 ZINC001592044777 1167443487 /nfs/dbraw/zinc/44/34/87/1167443487.db2.gz XZDHZMADFCNMMZ-LLVKDONJSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN2C(=O)OCC[C@@H]2C1 ZINC001592113448 1167458325 /nfs/dbraw/zinc/45/83/25/1167458325.db2.gz GQDISLXNIYDOGZ-SNVBAGLBSA-N -1 1 315.337 0.601 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN2C(=O)OCC[C@@H]2C1 ZINC001592113448 1167458328 /nfs/dbraw/zinc/45/83/28/1167458328.db2.gz GQDISLXNIYDOGZ-SNVBAGLBSA-N -1 1 315.337 0.601 20 0 DCADMM Cc1ccc(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)nc1 ZINC001592156789 1167464900 /nfs/dbraw/zinc/46/49/00/1167464900.db2.gz XNDDQGRPLAHLME-SECBINFHSA-N -1 1 313.325 0.039 20 0 DCADMM Cc1ccc(N2CCN(c3ncccn3)CC2)c(-c2nnn[n-]2)n1 ZINC001592174817 1167467599 /nfs/dbraw/zinc/46/75/99/1167467599.db2.gz DNIPJNRSHNNLTF-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1ccc(N2CCN(c3ncccn3)CC2)c(-c2nn[n-]n2)n1 ZINC001592174817 1167467601 /nfs/dbraw/zinc/46/76/01/1167467601.db2.gz DNIPJNRSHNNLTF-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1ccc(N[C@@H](C)CN2CCCC2=O)c(-c2nnn[n-]2)n1 ZINC001592183916 1167472967 /nfs/dbraw/zinc/47/29/67/1167472967.db2.gz MGVOWSJTKKPTBU-JTQLQIEISA-N -1 1 301.354 0.993 20 0 DCADMM Cc1ccc(N[C@@H](C)CN2CCCC2=O)c(-c2nn[n-]n2)n1 ZINC001592183916 1167472982 /nfs/dbraw/zinc/47/29/82/1167472982.db2.gz MGVOWSJTKKPTBU-JTQLQIEISA-N -1 1 301.354 0.993 20 0 DCADMM Cc1cnc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cn1 ZINC001592291555 1167484620 /nfs/dbraw/zinc/48/46/20/1167484620.db2.gz RBXDDRNOADWPLC-UHFFFAOYSA-N -1 1 311.309 0.818 20 0 DCADMM Cc1csc(NCCNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001592320461 1167486651 /nfs/dbraw/zinc/48/66/51/1167486651.db2.gz GMUIVXARPFCOLK-UHFFFAOYSA-N -1 1 303.355 0.368 20 0 DCADMM Cc1coc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592307919 1167487638 /nfs/dbraw/zinc/48/76/38/1167487638.db2.gz ZCNGSWPHXUHAQW-QMMMGPOBSA-N -1 1 303.282 0.664 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cc(C=O)n(C)c2)c1-c1nn[n-]n1 ZINC001592331018 1167490590 /nfs/dbraw/zinc/49/05/90/1167490590.db2.gz ROSGYHHBZWMMEU-UHFFFAOYSA-N -1 1 300.282 0.302 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)[C@@H](C)C(=O)OC(C)C)n1 ZINC001592339185 1167493669 /nfs/dbraw/zinc/49/36/69/1167493669.db2.gz YDQUMIGGMCVSCS-QMMMGPOBSA-N -1 1 305.342 0.741 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)[C@@H](C)C(=O)OC(C)C)n1 ZINC001592339185 1167493673 /nfs/dbraw/zinc/49/36/73/1167493673.db2.gz YDQUMIGGMCVSCS-QMMMGPOBSA-N -1 1 305.342 0.741 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]([C@@H]3CCCO3)C2)n1 ZINC001592337352 1167494343 /nfs/dbraw/zinc/49/43/43/1167494343.db2.gz HOMNBRKCRFBFHQ-PWSUYJOCSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]([C@@H]3CCCO3)C2)n1 ZINC001592337352 1167494345 /nfs/dbraw/zinc/49/43/45/1167494345.db2.gz HOMNBRKCRFBFHQ-PWSUYJOCSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@@H](C(F)F)CC2)n1 ZINC001592341549 1167495842 /nfs/dbraw/zinc/49/58/42/1167495842.db2.gz WKKNZNCHJPNHGI-SECBINFHSA-N -1 1 311.296 0.826 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@@H](C(F)F)CC2)n1 ZINC001592341549 1167495846 /nfs/dbraw/zinc/49/58/46/1167495846.db2.gz WKKNZNCHJPNHGI-SECBINFHSA-N -1 1 311.296 0.826 20 0 DCADMM Cc1nc(C(C)(C)NCn2cccc(-c3nn[n-]n3)c2=O)no1 ZINC001592352927 1167500873 /nfs/dbraw/zinc/50/08/73/1167500873.db2.gz XZTKRFROAXQOFV-UHFFFAOYSA-N -1 1 316.325 0.202 20 0 DCADMM Cc1nn(C)c(C)c1C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592427837 1167519391 /nfs/dbraw/zinc/51/93/91/1167519391.db2.gz UBKXXTJGRFLGGQ-QMMMGPOBSA-N -1 1 313.369 0.472 20 0 DCADMM Cc1nncn1CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592451118 1167530555 /nfs/dbraw/zinc/53/05/55/1167530555.db2.gz VLBCVZQZUMICIM-UHFFFAOYSA-N -1 1 304.339 0.258 20 0 DCADMM Cc1nncn1CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001592451118 1167530562 /nfs/dbraw/zinc/53/05/62/1167530562.db2.gz VLBCVZQZUMICIM-UHFFFAOYSA-N -1 1 304.339 0.258 20 0 DCADMM Cc1noc([C@@H]2OCC[C@@H]2Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592462249 1167532342 /nfs/dbraw/zinc/53/23/42/1167532342.db2.gz CUMPGIDWDPQKOR-GXSJLCMTSA-N -1 1 314.309 0.317 20 0 DCADMM Cc1noc([C@@H]2OCC[C@@H]2Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592462249 1167532347 /nfs/dbraw/zinc/53/23/47/1167532347.db2.gz CUMPGIDWDPQKOR-GXSJLCMTSA-N -1 1 314.309 0.317 20 0 DCADMM Cc1nsc(N2CC[S@@](=O)C[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592476520 1167535109 /nfs/dbraw/zinc/53/51/09/1167535109.db2.gz QUUXUUQEKUAMOC-SVWIBVJCSA-N -1 1 312.424 0.836 20 0 DCADMM Cc1nsc(N[C@H](C)CNC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001592484905 1167536468 /nfs/dbraw/zinc/53/64/68/1167536468.db2.gz WYKPXDYPEHOKIA-ZCFIWIBFSA-N -1 1 307.383 0.958 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2C[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001592483284 1167538313 /nfs/dbraw/zinc/53/83/13/1167538313.db2.gz HGQZGWQZCWHMOR-LJGSYFOKSA-N -1 1 309.355 0.524 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2C[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001592483284 1167538319 /nfs/dbraw/zinc/53/83/19/1167538319.db2.gz HGQZGWQZCWHMOR-LJGSYFOKSA-N -1 1 309.355 0.524 20 0 DCADMM Cc1nsc(NC[C@@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC001592489220 1167538496 /nfs/dbraw/zinc/53/84/96/1167538496.db2.gz MWMBPYILIFMPIV-ZETCQYMHSA-N -1 1 314.396 0.478 20 0 DCADMM Cc1nsc(NC[C@@H](O)C2CCOCC2)c1-c1nn[n-]n1 ZINC001592487980 1167538649 /nfs/dbraw/zinc/53/86/49/1167538649.db2.gz JMGQEKHYBMUSEW-SECBINFHSA-N -1 1 310.383 0.831 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC[C@H]1CCOC1=O ZINC001592503199 1167540381 /nfs/dbraw/zinc/54/03/81/1167540381.db2.gz DDPLRYBGPQQUSN-MRVPVSSYSA-N -1 1 306.278 0.878 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC[C@H]1CCOC1=O ZINC001592503199 1167540391 /nfs/dbraw/zinc/54/03/91/1167540391.db2.gz DDPLRYBGPQQUSN-MRVPVSSYSA-N -1 1 306.278 0.878 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC(=O)OCC1CC1 ZINC001592500537 1167540633 /nfs/dbraw/zinc/54/06/33/1167540633.db2.gz AAJFUTDBXLKIKW-UHFFFAOYSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC(=O)OCC1CC1 ZINC001592500537 1167540640 /nfs/dbraw/zinc/54/06/40/1167540640.db2.gz AAJFUTDBXLKIKW-UHFFFAOYSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1occc1COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592512149 1167543822 /nfs/dbraw/zinc/54/38/22/1167543822.db2.gz FISGIRXVLBPGKX-ZETCQYMHSA-N -1 1 303.282 0.664 20 0 DCADMM Cc1onc(CC(=O)NC(C)(C)C(F)F)c1-c1nnn[n-]1 ZINC001592515698 1167544429 /nfs/dbraw/zinc/54/44/29/1167544429.db2.gz JPYWLQOAXLVSEM-UHFFFAOYSA-N -1 1 300.269 0.866 20 0 DCADMM Cc1onc(CC(=O)NC(C)(C)C(F)F)c1-c1nn[n-]n1 ZINC001592515698 1167544432 /nfs/dbraw/zinc/54/44/32/1167544432.db2.gz JPYWLQOAXLVSEM-UHFFFAOYSA-N -1 1 300.269 0.866 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)COCC2CC2)c1-c1nnn[n-]1 ZINC001592515711 1167545542 /nfs/dbraw/zinc/54/55/42/1167545542.db2.gz KEIVGEUSBNKKNW-QMMMGPOBSA-N -1 1 320.353 0.637 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)COCC2CC2)c1-c1nn[n-]n1 ZINC001592515711 1167545549 /nfs/dbraw/zinc/54/55/49/1167545549.db2.gz KEIVGEUSBNKKNW-QMMMGPOBSA-N -1 1 320.353 0.637 20 0 DCADMM Cc1onc(CC(=O)NC[C@]2(C)CC2(F)F)c1-c1nnn[n-]1 ZINC001592517889 1167546822 /nfs/dbraw/zinc/54/68/22/1167546822.db2.gz WSEBCGNBTJCQBX-NSHDSACASA-N -1 1 312.280 0.867 20 0 DCADMM Cc1onc(CC(=O)NC[C@]2(C)CC2(F)F)c1-c1nn[n-]n1 ZINC001592517889 1167546827 /nfs/dbraw/zinc/54/68/27/1167546827.db2.gz WSEBCGNBTJCQBX-NSHDSACASA-N -1 1 312.280 0.867 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2COC[C@@H]2C2CC2)c1-c1nnn[n-]1 ZINC001592517937 1167548029 /nfs/dbraw/zinc/54/80/29/1167548029.db2.gz YFMZEGSJFSYJFW-KOLCDFICSA-N -1 1 318.337 0.247 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2COC[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC001592517937 1167548035 /nfs/dbraw/zinc/54/80/35/1167548035.db2.gz YFMZEGSJFSYJFW-KOLCDFICSA-N -1 1 318.337 0.247 20 0 DCADMM Cn1c(=O)[nH]c(NC2CCC=CCC2)c(-c2nn[n-]n2)c1=O ZINC001592546125 1167550259 /nfs/dbraw/zinc/55/02/59/1167550259.db2.gz KPTXFWXYKVOWIV-UHFFFAOYSA-N -1 1 303.326 0.577 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C/C=C/c2ccccc2)c1=O ZINC001592558114 1167557977 /nfs/dbraw/zinc/55/79/77/1167557977.db2.gz OQRSWEIIUVPERN-VMPITWQZSA-N -1 1 310.317 0.441 20 0 DCADMM Cn1ccnc1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001592585318 1167570553 /nfs/dbraw/zinc/57/05/53/1167570553.db2.gz BVTNYAFQSOVAIU-UHFFFAOYSA-N -1 1 311.349 0.689 20 0 DCADMM Cn1ccsc1=NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592585691 1167571856 /nfs/dbraw/zinc/57/18/56/1167571856.db2.gz PAXCRNSTGZLRSS-UHFFFAOYSA-N -1 1 301.335 0.332 20 0 DCADMM Cn1ccsc1=NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592585691 1167571862 /nfs/dbraw/zinc/57/18/62/1167571862.db2.gz PAXCRNSTGZLRSS-UHFFFAOYSA-N -1 1 301.335 0.332 20 0 DCADMM Cn1cnc(CCCNC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001592587591 1167572883 /nfs/dbraw/zinc/57/28/83/1167572883.db2.gz XPTRXDZDDSRCRG-UHFFFAOYSA-N -1 1 318.366 0.419 20 0 DCADMM Cn1cnc(CCCNC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001592587591 1167572893 /nfs/dbraw/zinc/57/28/93/1167572893.db2.gz XPTRXDZDDSRCRG-UHFFFAOYSA-N -1 1 318.366 0.419 20 0 DCADMM Cn1cncc1CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592589821 1167574694 /nfs/dbraw/zinc/57/46/94/1167574694.db2.gz UGIICCLUJKHERF-UHFFFAOYSA-N -1 1 313.325 0.382 20 0 DCADMM FC(F)CN1CCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001592624737 1167587654 /nfs/dbraw/zinc/58/76/54/1167587654.db2.gz NNSUMRXHFBXYQY-SNVBAGLBSA-N -1 1 309.324 0.825 20 0 DCADMM FC(F)CN1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001592624737 1167587658 /nfs/dbraw/zinc/58/76/58/1167587658.db2.gz NNSUMRXHFBXYQY-SNVBAGLBSA-N -1 1 309.324 0.825 20 0 DCADMM NC(=O)[C@H]1CC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592719523 1167611505 /nfs/dbraw/zinc/61/15/05/1167611505.db2.gz DCXHAHRJMFXUAI-YUMQZZPRSA-N -1 1 302.294 0.022 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001592735174 1167621942 /nfs/dbraw/zinc/62/19/42/1167621942.db2.gz ICJHIWSDNCRJAU-NKWVEPMBSA-N -1 1 307.745 0.981 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001592735174 1167621946 /nfs/dbraw/zinc/62/19/46/1167621946.db2.gz ICJHIWSDNCRJAU-NKWVEPMBSA-N -1 1 307.745 0.981 20 0 DCADMM NC(=S)c1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001592738491 1167623371 /nfs/dbraw/zinc/62/33/71/1167623371.db2.gz QNJKIDQLFBSPIB-UHFFFAOYSA-N -1 1 314.334 0.476 20 0 DCADMM NC(=S)c1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001592738491 1167623374 /nfs/dbraw/zinc/62/33/74/1167623374.db2.gz QNJKIDQLFBSPIB-UHFFFAOYSA-N -1 1 314.334 0.476 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cc(F)ccc1O ZINC001592752834 1167631283 /nfs/dbraw/zinc/63/12/83/1167631283.db2.gz AQVSNIDGASTXNN-UHFFFAOYSA-N -1 1 303.257 0.373 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001592755006 1167633199 /nfs/dbraw/zinc/63/31/99/1167633199.db2.gz ZEOCISSUFPGNGD-JTQLQIEISA-N -1 1 324.348 0.812 20 0 DCADMM O=C(COC1CCOCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592886454 1167657613 /nfs/dbraw/zinc/65/76/13/1167657613.db2.gz QIISMGMFXGRBCI-UHFFFAOYSA-N -1 1 304.310 0.396 20 0 DCADMM O=C(COC1CCOCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592886454 1167657619 /nfs/dbraw/zinc/65/76/19/1167657619.db2.gz QIISMGMFXGRBCI-UHFFFAOYSA-N -1 1 304.310 0.396 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@@H]1CCCOC1 ZINC001592914162 1167662833 /nfs/dbraw/zinc/66/28/33/1167662833.db2.gz PQCUXKLVNHUOFK-NSHDSACASA-N -1 1 302.338 0.347 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@@H]1CCCOC1 ZINC001592914162 1167662841 /nfs/dbraw/zinc/66/28/41/1167662841.db2.gz PQCUXKLVNHUOFK-NSHDSACASA-N -1 1 302.338 0.347 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1ccc[nH]c1=O ZINC001592914176 1167663122 /nfs/dbraw/zinc/66/31/22/1167663122.db2.gz QBGKLVAEIHCNGN-UHFFFAOYSA-N -1 1 311.305 0.221 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1ccc[nH]c1=O ZINC001592914176 1167663128 /nfs/dbraw/zinc/66/31/28/1167663128.db2.gz QBGKLVAEIHCNGN-UHFFFAOYSA-N -1 1 311.305 0.221 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](n2cccn2)C1 ZINC001592913353 1167663538 /nfs/dbraw/zinc/66/35/38/1167663538.db2.gz CYTINARWOKFLBJ-LBPRGKRZSA-N -1 1 324.348 0.474 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](n2cccn2)C1 ZINC001592913353 1167663541 /nfs/dbraw/zinc/66/35/41/1167663541.db2.gz CYTINARWOKFLBJ-LBPRGKRZSA-N -1 1 324.348 0.474 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001592915646 1167665234 /nfs/dbraw/zinc/66/52/34/1167665234.db2.gz OQKYVSIWDBPPQT-JLLWLGSASA-N -1 1 300.322 0.240 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001592915646 1167665236 /nfs/dbraw/zinc/66/52/36/1167665236.db2.gz OQKYVSIWDBPPQT-JLLWLGSASA-N -1 1 300.322 0.240 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@@H]1CCC[C@@H](O)C1 ZINC001592915025 1167666422 /nfs/dbraw/zinc/66/64/22/1167666422.db2.gz OXECEGREYXCNSU-VXGBXAGGSA-N -1 1 317.349 0.899 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@@H]1CCC[C@@H](O)C1 ZINC001592915025 1167666424 /nfs/dbraw/zinc/66/64/24/1167666424.db2.gz OXECEGREYXCNSU-VXGBXAGGSA-N -1 1 317.349 0.899 20 0 DCADMM O=C(N[C@@H](CO)c1ccccn1)c1cccc(-c2nnn[n-]2)n1 ZINC001592954434 1167674161 /nfs/dbraw/zinc/67/41/61/1167674161.db2.gz MZWVGAFELGSEIP-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@@H](CO)c1ccccn1)c1cccc(-c2nn[n-]n2)n1 ZINC001592954434 1167674162 /nfs/dbraw/zinc/67/41/62/1167674162.db2.gz MZWVGAFELGSEIP-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592965292 1167676639 /nfs/dbraw/zinc/67/66/39/1167676639.db2.gz BQRBLBBBFQVYKJ-WDEREUQCSA-N -1 1 300.322 0.295 20 0 DCADMM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592965292 1167676643 /nfs/dbraw/zinc/67/66/43/1167676643.db2.gz BQRBLBBBFQVYKJ-WDEREUQCSA-N -1 1 300.322 0.295 20 0 DCADMM O=C(N[C@@H]1CCc2cncn2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592997426 1167682358 /nfs/dbraw/zinc/68/23/58/1167682358.db2.gz VGAIRIZOPSYARO-SNVBAGLBSA-N -1 1 310.321 0.203 20 0 DCADMM O=C(NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001593018519 1167688464 /nfs/dbraw/zinc/68/84/64/1167688464.db2.gz VNCFVOKEYHXMCP-UHFFFAOYSA-N -1 1 300.326 0.127 20 0 DCADMM O=C(NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001593018519 1167688470 /nfs/dbraw/zinc/68/84/70/1167688470.db2.gz VNCFVOKEYHXMCP-UHFFFAOYSA-N -1 1 300.326 0.127 20 0 DCADMM O=C(NCC1CCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593034757 1167693793 /nfs/dbraw/zinc/69/37/93/1167693793.db2.gz VOYVKXACBNCGQD-UHFFFAOYSA-N -1 1 315.337 0.507 20 0 DCADMM O=C(NCC1CCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593034757 1167693796 /nfs/dbraw/zinc/69/37/96/1167693796.db2.gz VOYVKXACBNCGQD-UHFFFAOYSA-N -1 1 315.337 0.507 20 0 DCADMM O=C(NCCCOC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593076940 1167701616 /nfs/dbraw/zinc/70/16/16/1167701616.db2.gz ISXQBJAOEXXFAS-SNVBAGLBSA-N -1 1 321.337 0.633 20 0 DCADMM O=C(NCCCOC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593076940 1167701622 /nfs/dbraw/zinc/70/16/22/1167701622.db2.gz ISXQBJAOEXXFAS-SNVBAGLBSA-N -1 1 321.337 0.633 20 0 DCADMM O=C(NCc1cc2n(n1)CCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593124249 1167715130 /nfs/dbraw/zinc/71/51/30/1167715130.db2.gz PJYPCSNMNGCAEA-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(NCc1cc2n(n1)CCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593124249 1167715135 /nfs/dbraw/zinc/71/51/35/1167715135.db2.gz PJYPCSNMNGCAEA-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H]1CCCOC1 ZINC001593136520 1167720759 /nfs/dbraw/zinc/72/07/59/1167720759.db2.gz POCQBBHDCAOURQ-MRVPVSSYSA-N -1 1 308.367 0.906 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cn2c(n1)CCC2 ZINC001593146167 1167722858 /nfs/dbraw/zinc/72/28/58/1167722858.db2.gz IHEASMAVYHHSSR-UHFFFAOYSA-N -1 1 310.321 0.334 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cn2c(n1)CCC2 ZINC001593146167 1167722867 /nfs/dbraw/zinc/72/28/67/1167722867.db2.gz IHEASMAVYHHSSR-UHFFFAOYSA-N -1 1 310.321 0.334 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccncc1F ZINC001593151800 1167726021 /nfs/dbraw/zinc/72/60/21/1167726021.db2.gz DJCVPULINQBZSU-UHFFFAOYSA-N -1 1 305.298 0.787 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccncc1F ZINC001593151800 1167726029 /nfs/dbraw/zinc/72/60/29/1167726029.db2.gz DJCVPULINQBZSU-UHFFFAOYSA-N -1 1 305.298 0.787 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H]1CCSC1 ZINC001593151240 1167726977 /nfs/dbraw/zinc/72/69/77/1167726977.db2.gz SEKKXNVYSMJWRC-ZCFIWIBFSA-N -1 1 311.396 0.628 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H]1CCSC1 ZINC001593151240 1167726984 /nfs/dbraw/zinc/72/69/84/1167726984.db2.gz SEKKXNVYSMJWRC-ZCFIWIBFSA-N -1 1 311.396 0.628 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(-c2nnn[n-]2)o1 ZINC001593193774 1167735314 /nfs/dbraw/zinc/73/53/14/1167735314.db2.gz YCLIAVPSRVYJJI-MFKMUULPSA-N -1 1 311.301 0.848 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(-c2nn[n-]n2)o1 ZINC001593193774 1167735324 /nfs/dbraw/zinc/73/53/24/1167735324.db2.gz YCLIAVPSRVYJJI-MFKMUULPSA-N -1 1 311.301 0.848 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC001593196331 1167736836 /nfs/dbraw/zinc/73/68/36/1167736836.db2.gz MUXCSQVDIZKWNC-MRVPVSSYSA-N -1 1 303.326 0.832 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnn(CCF)c1 ZINC001593245029 1167742979 /nfs/dbraw/zinc/74/29/79/1167742979.db2.gz DDFMPHFDATVXFD-UHFFFAOYSA-N -1 1 302.273 0.680 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnn(CCF)c1 ZINC001593245029 1167742984 /nfs/dbraw/zinc/74/29/84/1167742984.db2.gz DDFMPHFDATVXFD-UHFFFAOYSA-N -1 1 302.273 0.680 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N(CCO)C1CCC1 ZINC001593253847 1167743796 /nfs/dbraw/zinc/74/37/96/1167743796.db2.gz LZSVIDHAQQFICD-UHFFFAOYSA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N(CCO)C1CCC1 ZINC001593253847 1167743801 /nfs/dbraw/zinc/74/38/01/1167743801.db2.gz LZSVIDHAQQFICD-UHFFFAOYSA-N -1 1 303.326 0.640 20 0 DCADMM O=C([O-])[C@@H]1CC=C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)n2)C1 ZINC001593279573 1167755565 /nfs/dbraw/zinc/75/55/65/1167755565.db2.gz RLOJQSMKMORQIM-NXEZZACHSA-N -1 1 300.322 0.771 20 0 DCADMM O=C(OCC[C@H]1CCNC1=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593286958 1167760536 /nfs/dbraw/zinc/76/05/36/1167760536.db2.gz ARSNHAWNCMXPTK-SSDOTTSWSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OCC[C@H]1CCNC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC001593286958 1167760541 /nfs/dbraw/zinc/76/05/41/1167760541.db2.gz ARSNHAWNCMXPTK-SSDOTTSWSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(NCCOC(=O)c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001593289853 1167760702 /nfs/dbraw/zinc/76/07/02/1167760702.db2.gz DCDGYKRBJBPKLE-UHFFFAOYSA-N -1 1 319.296 0.689 20 0 DCADMM O=C(NCCOC(=O)c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001593289853 1167760710 /nfs/dbraw/zinc/76/07/10/1167760710.db2.gz DCDGYKRBJBPKLE-UHFFFAOYSA-N -1 1 319.296 0.689 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](n2cccn2)C1 ZINC001593337086 1167779438 /nfs/dbraw/zinc/77/94/38/1167779438.db2.gz NMPSLRHNNLDCHL-NSHDSACASA-N -1 1 310.321 0.545 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](n2cccn2)C1 ZINC001593337086 1167779440 /nfs/dbraw/zinc/77/94/40/1167779440.db2.gz NMPSLRHNNLDCHL-NSHDSACASA-N -1 1 310.321 0.545 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](OC(F)F)C1 ZINC001593340407 1167782913 /nfs/dbraw/zinc/78/29/13/1167782913.db2.gz KXFLKLCRQZZFPQ-QMMMGPOBSA-N -1 1 310.264 0.715 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](OC(F)F)C1 ZINC001593340407 1167782920 /nfs/dbraw/zinc/78/29/20/1167782920.db2.gz KXFLKLCRQZZFPQ-QMMMGPOBSA-N -1 1 310.264 0.715 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]2COC[C@@H]21 ZINC001593348808 1167784773 /nfs/dbraw/zinc/78/47/73/1167784773.db2.gz QIBDUSXGMSFIHI-SKDRFNHKSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]2COC[C@@H]21 ZINC001593348808 1167784782 /nfs/dbraw/zinc/78/47/82/1167784782.db2.gz QIBDUSXGMSFIHI-SKDRFNHKSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCO[C@@H]1C(F)(F)F ZINC001593369285 1167787996 /nfs/dbraw/zinc/78/79/96/1167787996.db2.gz HHOFSDPMFZJKGA-SECBINFHSA-N -1 1 303.200 0.821 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCO[C@@H]1C(F)(F)F ZINC001593369285 1167788001 /nfs/dbraw/zinc/78/80/01/1167788001.db2.gz HHOFSDPMFZJKGA-SECBINFHSA-N -1 1 303.200 0.821 20 0 DCADMM O=C1C[C@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)CN1 ZINC001593387153 1167799328 /nfs/dbraw/zinc/79/93/28/1167799328.db2.gz ZTCFJTSWDYZXEC-VIFPVBQESA-N -1 1 310.317 0.318 20 0 DCADMM O=c1[nH]cccc1-c1noc(Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001593401267 1167811678 /nfs/dbraw/zinc/81/16/78/1167811678.db2.gz KDGDBJYMUAJJAL-VIFPVBQESA-N -1 1 322.288 0.486 20 0 DCADMM O=c1[nH]cccc1-c1noc(Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001593401267 1167811687 /nfs/dbraw/zinc/81/16/87/1167811687.db2.gz KDGDBJYMUAJJAL-VIFPVBQESA-N -1 1 322.288 0.486 20 0 DCADMM O=C1NCC2(CCN(c3cccnc3-c3nnn[n-]3)CC2)O1 ZINC001593406251 1167814885 /nfs/dbraw/zinc/81/48/85/1167814885.db2.gz RZZZSDYJVOWWSL-UHFFFAOYSA-N -1 1 301.310 0.341 20 0 DCADMM O=C1NCC2(CCN(c3cccnc3-c3nn[n-]n3)CC2)O1 ZINC001593406251 1167814899 /nfs/dbraw/zinc/81/48/99/1167814899.db2.gz RZZZSDYJVOWWSL-UHFFFAOYSA-N -1 1 301.310 0.341 20 0 DCADMM O=C1OCC[C@@H]1CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001593414066 1167825408 /nfs/dbraw/zinc/82/54/08/1167825408.db2.gz COKNMLQHOANVPZ-VIFPVBQESA-N -1 1 315.333 0.470 20 0 DCADMM O=S(=O)(NCc1cscn1)c1cccnc1-c1nn[n-]n1 ZINC001593443705 1167839904 /nfs/dbraw/zinc/83/99/04/1167839904.db2.gz PGXZQOHWAGINDA-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)c(F)c1)N1CCCCO1 ZINC001593453988 1167846625 /nfs/dbraw/zinc/84/66/25/1167846625.db2.gz OSKJUWIVFFZLPU-UHFFFAOYSA-N -1 1 313.314 0.722 20 0 DCADMM O=[S@]1C[C@@H]2C[C@H]1CN2c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593467105 1167857965 /nfs/dbraw/zinc/85/79/65/1167857965.db2.gz SGQXGWSUGNBQDV-QTYUKPITSA-N -1 1 317.378 0.244 20 0 DCADMM O=[S@]1C[C@@H]2C[C@H]1CN2c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593467105 1167857971 /nfs/dbraw/zinc/85/79/71/1167857971.db2.gz SGQXGWSUGNBQDV-QTYUKPITSA-N -1 1 317.378 0.244 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1cc(F)cc(F)c1 ZINC001593489413 1167870570 /nfs/dbraw/zinc/87/05/70/1167870570.db2.gz LUIJUOYYSBSRFB-UHFFFAOYSA-N -1 1 306.232 0.456 20 0 DCADMM OC1(c2ccc(F)cc2)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001593514806 1167893166 /nfs/dbraw/zinc/89/31/66/1167893166.db2.gz HNNGABVYJNUAPZ-UHFFFAOYSA-N -1 1 313.296 0.504 20 0 DCADMM OC1(c2ccc(F)cc2)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001593514806 1167893169 /nfs/dbraw/zinc/89/31/69/1167893169.db2.gz HNNGABVYJNUAPZ-UHFFFAOYSA-N -1 1 313.296 0.504 20 0 DCADMM O[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@@H]1F ZINC001593520863 1167895434 /nfs/dbraw/zinc/89/54/34/1167895434.db2.gz XRNVLUPPHUYRAG-WCBMZHEXSA-N -1 1 305.317 0.443 20 0 DCADMM O[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@@H]1F ZINC001593520863 1167895435 /nfs/dbraw/zinc/89/54/35/1167895435.db2.gz XRNVLUPPHUYRAG-WCBMZHEXSA-N -1 1 305.317 0.443 20 0 DCADMM OC[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)c1ncc[nH]1 ZINC001593524567 1167900981 /nfs/dbraw/zinc/90/09/81/1167900981.db2.gz ABSCWZWHBDVSIN-SCSAIBSYSA-N -1 1 312.746 0.845 20 0 DCADMM OC[C@@H]1c2ccccc2CCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001593528581 1167905444 /nfs/dbraw/zinc/90/54/44/1167905444.db2.gz JJPXFZZHWBSMMT-CYBMUJFWSA-N -1 1 309.333 0.753 20 0 DCADMM OC[C@@H]1c2ccccc2CCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001593528581 1167905453 /nfs/dbraw/zinc/90/54/53/1167905453.db2.gz JJPXFZZHWBSMMT-CYBMUJFWSA-N -1 1 309.333 0.753 20 0 DCADMM O[C@@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001593538573 1167920560 /nfs/dbraw/zinc/92/05/60/1167920560.db2.gz UDXUZSJHFFUGQK-ZXFHETKHSA-N -1 1 302.747 0.273 20 0 DCADMM c1cc(CN2CCN(c3cnccn3)CC2)nc(-c2nn[n-]n2)c1 ZINC001593554681 1167932268 /nfs/dbraw/zinc/93/22/68/1167932268.db2.gz FDORJRMJHKTJTH-UHFFFAOYSA-N -1 1 323.364 0.374 20 0 DCADMM c1nc(CNc2cc(-c3nnn[n-]3)ncn2)nn1-c1ccccc1 ZINC001593569994 1167947775 /nfs/dbraw/zinc/94/77/75/1167947775.db2.gz NWXXDNUZXKEWBT-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nc(CNc2cc(-c3nn[n-]n3)ncn2)nn1-c1ccccc1 ZINC001593569994 1167947776 /nfs/dbraw/zinc/94/77/76/1167947776.db2.gz NWXXDNUZXKEWBT-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CCC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC001593591884 1167953420 /nfs/dbraw/zinc/95/34/20/1167953420.db2.gz RPMOVIHOJGHDRU-GHMZBOCLSA-N -1 1 301.354 0.910 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(NCc2noc3c2COCC3)n1 ZINC001593594417 1167956058 /nfs/dbraw/zinc/95/60/58/1167956058.db2.gz BGXCKVDCHSURJB-UHFFFAOYSA-N -1 1 300.282 0.330 20 0 DCADMM c1ncc(N2CCO[C@@H]([C@@H]3CCCO3)C2)nc1-c1nnn[n-]1 ZINC001593593958 1167957780 /nfs/dbraw/zinc/95/77/80/1167957780.db2.gz XQPBHERCYYXGSH-WDEREUQCSA-N -1 1 303.326 0.041 20 0 DCADMM c1ncc(N2CCO[C@@H]([C@@H]3CCCO3)C2)nc1-c1nn[n-]n1 ZINC001593593958 1167957783 /nfs/dbraw/zinc/95/77/83/1167957783.db2.gz XQPBHERCYYXGSH-WDEREUQCSA-N -1 1 303.326 0.041 20 0 DCADMM Cn1c(C=O)ccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001597335557 1168005995 /nfs/dbraw/zinc/00/59/95/1168005995.db2.gz NCXHPPVANSCFFB-UHFFFAOYSA-N -1 1 323.330 0.443 20 0 DCADMM CCc1ccc(NC(=O)C(=O)N2CCNCC2)c(C(=O)[O-])c1 ZINC001597537152 1168008002 /nfs/dbraw/zinc/00/80/02/1168008002.db2.gz LXZAICCUDRDGMB-UHFFFAOYSA-N -1 1 305.334 0.318 20 0 DCADMM COC(=O)CNC(=O)CNCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598865912 1168058049 /nfs/dbraw/zinc/05/80/49/1168058049.db2.gz XEOSBUMUUVOZMW-UHFFFAOYSA-N -1 1 314.725 0.417 20 0 DCADMM Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1 ZINC001600081956 1168113797 /nfs/dbraw/zinc/11/37/97/1168113797.db2.gz DXNBQUGLNWJICG-AAEUAGOBSA-N -1 1 303.318 0.921 20 0 DCADMM Cc1cc([C@H]2CCCCN2C(=O)Cn2cc(C(=O)[O-])nn2)n[nH]1 ZINC001600183156 1168132296 /nfs/dbraw/zinc/13/22/96/1168132296.db2.gz ULOXQBAYGURJAG-GFCCVEGCSA-N -1 1 318.337 0.762 20 0 DCADMM Cc1cc(CNCCS(=O)(=O)N(C)C)ccc1C(=O)[O-] ZINC001600205949 1168138968 /nfs/dbraw/zinc/13/89/68/1168138968.db2.gz NBKYZAWNLICMRA-UHFFFAOYSA-N -1 1 300.380 0.674 20 0 DCADMM Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)nn1C ZINC001600212574 1168139233 /nfs/dbraw/zinc/13/92/33/1168139233.db2.gz UERSFKGBQJWLGD-XRRVDJEJSA-N -1 1 306.366 0.186 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@@](C)(C(N)=O)C1 ZINC001600355042 1168171845 /nfs/dbraw/zinc/17/18/45/1168171845.db2.gz JGYUQLUNTJAHKZ-MRXNPFEDSA-N -1 1 319.361 0.829 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1nnc[nH]1 ZINC001600351373 1168172249 /nfs/dbraw/zinc/17/22/49/1168172249.db2.gz VUEASKYUQLPOPY-MRVPVSSYSA-N -1 1 317.305 0.627 20 0 DCADMM Cc1ccc(CCNS(=O)(=O)c2cc(C(=O)[O-])no2)nc1 ZINC001600408327 1168180516 /nfs/dbraw/zinc/18/05/16/1168180516.db2.gz FYVZOKPKTDRVCX-UHFFFAOYSA-N -1 1 311.319 0.597 20 0 DCADMM Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1C(=O)[O-] ZINC001600441210 1168185638 /nfs/dbraw/zinc/18/56/38/1168185638.db2.gz SNYZISJUEHGPEJ-ZWNOBZJWSA-N -1 1 319.361 0.841 20 0 DCADMM Cc1cccc([C@H](O)CN2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001600518535 1168194650 /nfs/dbraw/zinc/19/46/50/1168194650.db2.gz FIXARSMQIOQTJY-ZIAGYGMSSA-N -1 1 306.362 0.694 20 0 DCADMM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CCc2nn[nH]n2)c1 ZINC001600515485 1168194840 /nfs/dbraw/zinc/19/48/40/1168194840.db2.gz XXQKWCZMHJJDQY-NSHDSACASA-N -1 1 303.322 0.773 20 0 DCADMM Cc1ccccc1C[C@@H](C)NC(=O)CN1CC[C@@](O)(C(=O)[O-])C1 ZINC001600576954 1168201887 /nfs/dbraw/zinc/20/18/87/1168201887.db2.gz LSZGYABRRJIXTQ-DYVFJYSZSA-N -1 1 320.389 0.564 20 0 DCADMM Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)nc1 ZINC001600621404 1168215972 /nfs/dbraw/zinc/21/59/72/1168215972.db2.gz XMDYVYBMHULHHM-CYDGBPFRSA-N -1 1 318.377 0.490 20 0 DCADMM Cc1nc(CNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)n[nH]1 ZINC001600670141 1168239007 /nfs/dbraw/zinc/23/90/07/1168239007.db2.gz AVIHVSKJYFWUEA-UHFFFAOYSA-N -1 1 320.714 0.536 20 0 DCADMM Cc1nc(CNC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)n[nH]1 ZINC001600671033 1168241863 /nfs/dbraw/zinc/24/18/63/1168241863.db2.gz QRUMWMHGHRTJLO-UHFFFAOYSA-N -1 1 307.314 0.451 20 0 DCADMM Cc1ncc(CNC2(CC(=O)[O-])CCS(=O)(=O)CC2)o1 ZINC001600737328 1168269492 /nfs/dbraw/zinc/26/94/92/1168269492.db2.gz RAGZDBAJVHLLCP-UHFFFAOYSA-N -1 1 302.352 0.495 20 0 DCADMM Cc1ncc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)[O-] ZINC001600745990 1168273836 /nfs/dbraw/zinc/27/38/36/1168273836.db2.gz NUXKGSXWWYIWMR-UHFFFAOYSA-N -1 1 313.379 0.461 20 0 DCADMM Cc1ncoc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600758698 1168280280 /nfs/dbraw/zinc/28/02/80/1168280280.db2.gz WCKWUOINCAGXCI-YFVNTRNASA-N -1 1 305.334 0.250 20 0 DCADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)NC[C@H]1C ZINC001600832588 1168478945 /nfs/dbraw/zinc/47/89/45/1168478945.db2.gz VYYZXNSZOMHVBA-HTQZYQBOSA-N -1 1 302.352 0.657 20 0 DCADMM Cn1c(-c2csc(=O)[nH]2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001600893881 1168496204 /nfs/dbraw/zinc/49/62/04/1168496204.db2.gz UUJWKJZNGSVTNR-NSHDSACASA-N -1 1 313.314 0.647 20 0 DCADMM Cn1cc(C[NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)cc1C(=O)[O-] ZINC001600954115 1168530968 /nfs/dbraw/zinc/53/09/68/1168530968.db2.gz FKLSKZVQIJDPFW-LLVKDONJSA-N -1 1 305.338 0.983 20 0 DCADMM Cn1ccc([C@@H](NC(=O)CCCCc2c[nH]nn2)C(=O)[O-])n1 ZINC001600990687 1168549560 /nfs/dbraw/zinc/54/95/60/1168549560.db2.gz SREXPYZDHNUGLU-GFCCVEGCSA-N -1 1 306.326 0.193 20 0 DCADMM N[C@@H](CO)c1cn([C@H](Cc2ccc(Cl)cc2)C(=O)[O-])nn1 ZINC001601176304 1168623703 /nfs/dbraw/zinc/62/37/03/1168623703.db2.gz HACGKZXRYCOJJD-CMPLNLGQSA-N -1 1 310.741 0.792 20 0 DCADMM NCc1cc(C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])co1 ZINC001601190863 1168640042 /nfs/dbraw/zinc/64/00/42/1168640042.db2.gz RIEILGVNTIOVLQ-NSHDSACASA-N -1 1 303.318 0.807 20 0 DCADMM NCc1cc(C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])co1 ZINC001601190861 1168644033 /nfs/dbraw/zinc/64/40/33/1168644033.db2.gz RIEILGVNTIOVLQ-LLVKDONJSA-N -1 1 303.318 0.807 20 0 DCADMM NS(=O)(=O)c1cccc2c1CCN(CC1(C(=O)[O-])CC1)C2 ZINC001601200425 1168655391 /nfs/dbraw/zinc/65/53/91/1168655391.db2.gz NOEGLEGYFVAUAE-UHFFFAOYSA-N -1 1 310.375 0.557 20 0 DCADMM O=C([O-])[C@H](CNC(=O)C[C@@H]1COCCN1)c1ccc(F)cc1 ZINC001601257908 1168680111 /nfs/dbraw/zinc/68/01/11/1168680111.db2.gz REQSHULDXGEKQC-CHWSQXEVSA-N -1 1 310.325 0.489 20 0 DCADMM 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Cc1nc2n(n1)C[C@H](Nc1cc(C)cc(-c3nn[n-]n3)n1)CC2 ZINC001605724416 1169993031 /nfs/dbraw/zinc/99/30/31/1169993031.db2.gz WVGFKZCTYZMQGX-SNVBAGLBSA-N -1 1 311.353 0.897 20 0 DCADMM CCS(=O)(=O)CCN1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC001605726897 1169994263 /nfs/dbraw/zinc/99/42/63/1169994263.db2.gz RFXRFMYJGSMGOL-YNEHKIRRSA-N -1 1 319.423 0.765 20 0 DCADMM CCc1[nH]c(CNCCS(=O)(=O)N(C)C)cc1C(=O)[O-] ZINC001605775441 1169999341 /nfs/dbraw/zinc/99/93/41/1169999341.db2.gz TYBKIHPVAGKOCW-UHFFFAOYSA-N -1 1 303.384 0.256 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001605803923 1170007469 /nfs/dbraw/zinc/00/74/69/1170007469.db2.gz FRPNABYBCOZFBS-JTQLQIEISA-N -1 1 315.337 0.965 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001605803923 1170007477 /nfs/dbraw/zinc/00/74/77/1170007477.db2.gz FRPNABYBCOZFBS-JTQLQIEISA-N -1 1 315.337 0.965 20 0 DCADMM CCc1nc(CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)n[nH]1 ZINC001605850832 1170012688 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Cc1nc([C@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)no1 ZINC001606036020 1170062469 /nfs/dbraw/zinc/06/24/69/1170062469.db2.gz YVDIHLARXXGZBE-YFKPBYRVSA-N -1 1 318.297 0.274 20 0 DCADMM Cc1nn(C(C)C)cc1C(=O)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001606105496 1170078232 /nfs/dbraw/zinc/07/82/32/1170078232.db2.gz ZOJLCEDVTBCXKI-UHFFFAOYSA-N -1 1 301.314 0.928 20 0 DCADMM Cc1nn(C(C)C)cc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606105496 1170078238 /nfs/dbraw/zinc/07/82/38/1170078238.db2.gz ZOJLCEDVTBCXKI-UHFFFAOYSA-N -1 1 301.314 0.928 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)oc2C)o1 ZINC001606119553 1170082012 /nfs/dbraw/zinc/08/20/12/1170082012.db2.gz HSTRBCWXLXWIRV-RXMQYKEDSA-N -1 1 303.282 0.951 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)o1 ZINC001606119553 1170082018 /nfs/dbraw/zinc/08/20/18/1170082018.db2.gz HSTRBCWXLXWIRV-RXMQYKEDSA-N -1 1 303.282 0.951 20 0 DCADMM Cc1nnsc1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001606126844 1170086029 /nfs/dbraw/zinc/08/60/29/1170086029.db2.gz HRNVLSMCPMNNRG-UHFFFAOYSA-N -1 1 320.338 0.182 20 0 DCADMM Cc1nnsc1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001606126844 1170086036 /nfs/dbraw/zinc/08/60/36/1170086036.db2.gz HRNVLSMCPMNNRG-UHFFFAOYSA-N -1 1 320.338 0.182 20 0 DCADMM Cc1noc(C[N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC001606133593 1170091022 /nfs/dbraw/zinc/09/10/22/1170091022.db2.gz KWXNXGMATHDTEV-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001606147851 1170094264 /nfs/dbraw/zinc/09/42/64/1170094264.db2.gz UVOYIKGQABJNKP-UHFFFAOYSA-N -1 1 320.353 0.656 20 0 DCADMM Cc1nsc(NC(=O)[C@H]2CCC(=O)N2C)c1-c1nnn[n-]1 ZINC001606150944 1170095278 /nfs/dbraw/zinc/09/52/78/1170095278.db2.gz JLQJOAQVXDGAGF-ZCFIWIBFSA-N -1 1 307.339 0.191 20 0 DCADMM Cc1nsc(NC(=O)[C@H]2CCC(=O)N2C)c1-c1nn[n-]n1 ZINC001606150944 1170095285 /nfs/dbraw/zinc/09/52/85/1170095285.db2.gz JLQJOAQVXDGAGF-ZCFIWIBFSA-N -1 1 307.339 0.191 20 0 DCADMM Cc1nsc(NC(=O)NCc2cnccn2)c1-c1nnn[n-]1 ZINC001606150550 1170095992 /nfs/dbraw/zinc/09/59/92/1170095992.db2.gz DWEXKPIOUWYRKF-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nsc(NC(=O)NCc2cnccn2)c1-c1nn[n-]n1 ZINC001606150550 1170095998 /nfs/dbraw/zinc/09/59/98/1170095998.db2.gz DWEXKPIOUWYRKF-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC001606165712 1170097376 /nfs/dbraw/zinc/09/73/76/1170097376.db2.gz JGBQRIUBXZRGCL-CMPLNLGQSA-N -1 1 319.321 0.398 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC001606165712 1170097382 /nfs/dbraw/zinc/09/73/82/1170097382.db2.gz JGBQRIUBXZRGCL-CMPLNLGQSA-N -1 1 319.321 0.398 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC001606166301 1170097925 /nfs/dbraw/zinc/09/79/25/1170097925.db2.gz ALXVAHCXQADLIS-QUBYGPBYSA-N -1 1 304.310 0.023 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC001606166301 1170097928 /nfs/dbraw/zinc/09/79/28/1170097928.db2.gz ALXVAHCXQADLIS-QUBYGPBYSA-N -1 1 304.310 0.023 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001606167674 1170101219 /nfs/dbraw/zinc/10/12/19/1170101219.db2.gz SREVFUZYNMLAFX-DTWKUNHWSA-N -1 1 318.337 0.542 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001606167674 1170101220 /nfs/dbraw/zinc/10/12/20/1170101220.db2.gz SREVFUZYNMLAFX-DTWKUNHWSA-N -1 1 318.337 0.542 20 0 DCADMM Cn1ccc([C@@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)n1 ZINC001606249429 1170135325 /nfs/dbraw/zinc/13/53/25/1170135325.db2.gz QUHBZFCFOOBISZ-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ccc([C@@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)n1 ZINC001606249429 1170135330 /nfs/dbraw/zinc/13/53/30/1170135330.db2.gz QUHBZFCFOOBISZ-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM CNC(=O)NC(=O)C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001606277885 1170145063 /nfs/dbraw/zinc/14/50/63/1170145063.db2.gz HINOZOGPRPGURP-OAHLLOKOSA-N -1 1 305.334 0.170 20 0 DCADMM CNC(=O)NC(=O)CN1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001606277885 1170145068 /nfs/dbraw/zinc/14/50/68/1170145068.db2.gz HINOZOGPRPGURP-OAHLLOKOSA-N -1 1 305.334 0.170 20 0 DCADMM CNC(=O)NC1CCN(Cc2cc(C(=O)[O-])c(C)n2C)CC1 ZINC001606280067 1170147010 /nfs/dbraw/zinc/14/70/10/1170147010.db2.gz BXDVFLSHOIZKHD-UHFFFAOYSA-N -1 1 308.382 0.925 20 0 DCADMM CNCc1cn([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)nn1 ZINC001606299101 1170154111 /nfs/dbraw/zinc/15/41/11/1170154111.db2.gz SFZGUUCWVWBQSY-SNVBAGLBSA-N -1 1 317.349 0.573 20 0 DCADMM FC(F)OC1CN(Cc2cnc3c(-c4nnn[n-]4)cnn3c2)C1 ZINC001606298393 1170154646 /nfs/dbraw/zinc/15/46/46/1170154646.db2.gz LYYJFAWTRMUFAL-UHFFFAOYSA-N -1 1 322.279 0.333 20 0 DCADMM FC(F)OC1CN(Cc2cnc3c(-c4nn[n-]n4)cnn3c2)C1 ZINC001606298393 1170154650 /nfs/dbraw/zinc/15/46/50/1170154650.db2.gz LYYJFAWTRMUFAL-UHFFFAOYSA-N -1 1 322.279 0.333 20 0 DCADMM CNc1nc(C)cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)n1 ZINC001606313526 1170156660 /nfs/dbraw/zinc/15/66/60/1170156660.db2.gz SGDFGVVQQGUUTB-NSHDSACASA-N -1 1 321.381 0.448 20 0 DCADMM NC(=O)C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)C1CCCCC1 ZINC001606410665 1170189848 /nfs/dbraw/zinc/18/98/48/1170189848.db2.gz JUIPAYTYTDDZFD-SNVBAGLBSA-N -1 1 316.369 0.893 20 0 DCADMM NC(=O)C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)C1CCCCC1 ZINC001606410665 1170189851 /nfs/dbraw/zinc/18/98/51/1170189851.db2.gz JUIPAYTYTDDZFD-SNVBAGLBSA-N -1 1 316.369 0.893 20 0 DCADMM NC(=O)C12CCC(CC1)N2C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001606411581 1170190163 /nfs/dbraw/zinc/19/01/63/1170190163.db2.gz XPAWCYIGQDHSHK-UHFFFAOYSA-N -1 1 302.294 0.082 20 0 DCADMM NC(=O)C12CCC(CC1)N2C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001606411581 1170190165 /nfs/dbraw/zinc/19/01/65/1170190165.db2.gz XPAWCYIGQDHSHK-UHFFFAOYSA-N -1 1 302.294 0.082 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001606425996 1170196650 /nfs/dbraw/zinc/19/66/50/1170196650.db2.gz JXQRMNXKOGYFGR-DTWKUNHWSA-N -1 1 324.348 0.876 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001606425996 1170196651 /nfs/dbraw/zinc/19/66/51/1170196651.db2.gz JXQRMNXKOGYFGR-DTWKUNHWSA-N -1 1 324.348 0.876 20 0 DCADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)C(=O)[O-] ZINC001606442481 1170203500 /nfs/dbraw/zinc/20/35/00/1170203500.db2.gz UOCJLLYZJKSEBP-JTQLQIEISA-N -1 1 318.289 0.218 20 0 DCADMM O=C(CCCNC(=O)C1CC1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001606519635 1170226887 /nfs/dbraw/zinc/22/68/87/1170226887.db2.gz RSQRFHKQFMZGLB-UHFFFAOYSA-N -1 1 319.321 0.809 20 0 DCADMM O=C(CCCNC(=O)C1CC1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001606519635 1170226890 /nfs/dbraw/zinc/22/68/90/1170226890.db2.gz RSQRFHKQFMZGLB-UHFFFAOYSA-N -1 1 319.321 0.809 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001606621162 1170245431 /nfs/dbraw/zinc/24/54/31/1170245431.db2.gz ZYBKIAQXGJEDTC-WDEREUQCSA-N -1 1 316.369 0.401 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)c1ccc(F)cc1 ZINC001606623452 1170246233 /nfs/dbraw/zinc/24/62/33/1170246233.db2.gz LDTSSKYXMQLNMI-UHFFFAOYSA-N -1 1 300.253 0.445 20 0 DCADMM O=C(N[C@@H](CO)c1ccsc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606635534 1170249750 /nfs/dbraw/zinc/24/97/50/1170249750.db2.gz SGSAYLJYJUXJGM-NSHDSACASA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@@H](CO)c1ccsc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606635534 1170249754 /nfs/dbraw/zinc/24/97/54/1170249754.db2.gz SGSAYLJYJUXJGM-NSHDSACASA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@@H]1CCC[C@@H]1CCO)c1ccc(-c2nnn[n-]2)nc1 ZINC001606667203 1170255475 /nfs/dbraw/zinc/25/54/75/1170255475.db2.gz JSRPYPJHQUDMMK-MWLCHTKSSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1CCC[C@@H]1CCO)c1ccc(-c2nn[n-]n2)nc1 ZINC001606667203 1170255480 /nfs/dbraw/zinc/25/54/80/1170255480.db2.gz JSRPYPJHQUDMMK-MWLCHTKSSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1CCCC2(C1)OCCO2)c1ccc(-c2nnn[n-]2)o1 ZINC001606667522 1170257004 /nfs/dbraw/zinc/25/70/04/1170257004.db2.gz PUWZKUMZHBICJM-SECBINFHSA-N -1 1 319.321 0.875 20 0 DCADMM O=C(N[C@@H]1CCCC2(C1)OCCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001606667522 1170257007 /nfs/dbraw/zinc/25/70/07/1170257007.db2.gz PUWZKUMZHBICJM-SECBINFHSA-N -1 1 319.321 0.875 20 0 DCADMM O=C(NCC1(O)CCOCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606713992 1170272072 /nfs/dbraw/zinc/27/20/72/1170272072.db2.gz UUYKTPXRIHDYLB-UHFFFAOYSA-N -1 1 321.312 0.277 20 0 DCADMM O=C(NCC1(O)CCOCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606713992 1170272077 /nfs/dbraw/zinc/27/20/77/1170272077.db2.gz UUYKTPXRIHDYLB-UHFFFAOYSA-N -1 1 321.312 0.277 20 0 DCADMM O=C(NC[C@@H]1CC[C@H](C2CC2)O1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606721711 1170273096 /nfs/dbraw/zinc/27/30/96/1170273096.db2.gz BGFUSXPTTYYEDU-WCQYABFASA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@@H]1CC[C@H](C2CC2)O1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606721711 1170273100 /nfs/dbraw/zinc/27/31/00/1170273100.db2.gz BGFUSXPTTYYEDU-WCQYABFASA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001606736204 1170275845 /nfs/dbraw/zinc/27/58/45/1170275845.db2.gz VBTHMZOSQRRNQO-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001606736204 1170275849 /nfs/dbraw/zinc/27/58/49/1170275849.db2.gz VBTHMZOSQRRNQO-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCCOCC1CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606786763 1170289270 /nfs/dbraw/zinc/28/92/70/1170289270.db2.gz HDPAAJMMSVHADH-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCOCC1CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606786763 1170289278 /nfs/dbraw/zinc/28/92/78/1170289278.db2.gz HDPAAJMMSVHADH-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM COC[C@@H](C)NC(=S)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001606798402 1170292727 /nfs/dbraw/zinc/29/27/27/1170292727.db2.gz XESFLTQVQMWENX-MNOVXSKESA-N -1 1 303.428 0.377 20 0 DCADMM COC[C@H](CO)NCc1oc(Br)cc1C(=O)[O-] ZINC001606805162 1170296101 /nfs/dbraw/zinc/29/61/01/1170296101.db2.gz WUKZPTHXKNFLOZ-LURJTMIESA-N -1 1 308.128 0.837 20 0 DCADMM COC[C@H](NC(=O)c1ccc(C=CC(=O)[O-])o1)c1nn[nH]n1 ZINC001606812477 1170297753 /nfs/dbraw/zinc/29/77/53/1170297753.db2.gz GPDMOHDOAASLKV-NHLYECAPSA-N -1 1 307.266 0.008 20 0 DCADMM COC[C@]1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CNCCO1 ZINC001606824577 1170303946 /nfs/dbraw/zinc/30/39/46/1170303946.db2.gz QGQQRIANXVSAPC-AWEZNQCLSA-N -1 1 312.297 0.467 20 0 DCADMM O=C(NCc1nc2cccnc2[nH]1)c1coc(-c2nnn[n-]2)c1 ZINC001606847248 1170312923 /nfs/dbraw/zinc/31/29/23/1170312923.db2.gz QSZYXAXUABDIJP-UHFFFAOYSA-N -1 1 310.277 0.661 20 0 DCADMM O=C(NCc1nc2cccnc2[nH]1)c1coc(-c2nn[n-]n2)c1 ZINC001606847248 1170312930 /nfs/dbraw/zinc/31/29/30/1170312930.db2.gz QSZYXAXUABDIJP-UHFFFAOYSA-N -1 1 310.277 0.661 20 0 DCADMM O=C(NN1CCCNC1=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606851051 1170314183 /nfs/dbraw/zinc/31/41/83/1170314183.db2.gz ZXUCBNXCXRBOFX-UHFFFAOYSA-N -1 1 323.263 0.205 20 0 DCADMM O=C(NN1CCCNC1=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606851051 1170314187 /nfs/dbraw/zinc/31/41/87/1170314187.db2.gz ZXUCBNXCXRBOFX-UHFFFAOYSA-N -1 1 323.263 0.205 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc2c1C(=O)CC2 ZINC001606893603 1170324360 /nfs/dbraw/zinc/32/43/60/1170324360.db2.gz XRYRVUPMEAWOCC-UHFFFAOYSA-N -1 1 309.289 0.971 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc2c1C(=O)CC2 ZINC001606893603 1170324365 /nfs/dbraw/zinc/32/43/65/1170324365.db2.gz XRYRVUPMEAWOCC-UHFFFAOYSA-N -1 1 309.289 0.971 20 0 DCADMM COCCN1CCN(C(=O)c2ccc(C(=O)[O-])n2C)C(C)(C)C1 ZINC001606895452 1170326554 /nfs/dbraw/zinc/32/65/54/1170326554.db2.gz OZCFLEXBRHBELW-UHFFFAOYSA-N -1 1 323.393 0.906 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1CCCCNC1=O ZINC001606933439 1170333872 /nfs/dbraw/zinc/33/38/72/1170333872.db2.gz LUQKSRVIZGJDAQ-VIFPVBQESA-N -1 1 316.325 0.052 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1CCCCNC1=O ZINC001606933439 1170333876 /nfs/dbraw/zinc/33/38/76/1170333876.db2.gz LUQKSRVIZGJDAQ-VIFPVBQESA-N -1 1 316.325 0.052 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1COC[C@H]1C1CC1 ZINC001606934700 1170334478 /nfs/dbraw/zinc/33/44/78/1170334478.db2.gz IEIJCERAQFJQLV-ONGXEEELSA-N -1 1 315.337 0.808 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1COC[C@H]1C1CC1 ZINC001606934700 1170334483 /nfs/dbraw/zinc/33/44/83/1170334483.db2.gz IEIJCERAQFJQLV-ONGXEEELSA-N -1 1 315.337 0.808 20 0 DCADMM O=C(O[C@@H]1[C@H]2C[C@H]3C(=O)O[C@H]1[C@H]3C2)c1coc(-c2nnn[n-]2)c1 ZINC001606963116 1170340117 /nfs/dbraw/zinc/34/01/17/1170340117.db2.gz UDVHRGKQNGIRDS-LVQZYVJGSA-N -1 1 316.273 0.567 20 0 DCADMM O=C(O[C@@H]1[C@H]2C[C@H]3C(=O)O[C@H]1[C@H]3C2)c1coc(-c2nn[n-]n2)c1 ZINC001606963116 1170340123 /nfs/dbraw/zinc/34/01/23/1170340123.db2.gz UDVHRGKQNGIRDS-LVQZYVJGSA-N -1 1 316.273 0.567 20 0 DCADMM O=C(c1cc[nH]c1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001607009114 1170353330 /nfs/dbraw/zinc/35/33/30/1170353330.db2.gz VBKFJMULZFVXPY-UHFFFAOYSA-N -1 1 324.348 0.552 20 0 DCADMM O=C(c1cc[nH]c1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001607009114 1170353336 /nfs/dbraw/zinc/35/33/36/1170353336.db2.gz VBKFJMULZFVXPY-UHFFFAOYSA-N -1 1 324.348 0.552 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](C(F)F)C1 ZINC001607017488 1170355833 /nfs/dbraw/zinc/35/58/33/1170355833.db2.gz UOEHLSFXHCQSHI-VIFPVBQESA-N -1 1 310.264 0.368 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](C(F)F)C1 ZINC001607017488 1170355834 /nfs/dbraw/zinc/35/58/34/1170355834.db2.gz UOEHLSFXHCQSHI-VIFPVBQESA-N -1 1 310.264 0.368 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC(O)(c2ccccc2)C1 ZINC001607025194 1170358301 /nfs/dbraw/zinc/35/83/01/1170358301.db2.gz CMPJRVNDZRASKH-UHFFFAOYSA-N -1 1 322.328 0.605 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC(O)(c2ccccc2)C1 ZINC001607025194 1170358305 /nfs/dbraw/zinc/35/83/05/1170358305.db2.gz CMPJRVNDZRASKH-UHFFFAOYSA-N -1 1 322.328 0.605 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001607021823 1170358689 /nfs/dbraw/zinc/35/86/89/1170358689.db2.gz DNCKFCCUJQOOSL-MFKMUULPSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001607021823 1170358697 /nfs/dbraw/zinc/35/86/97/1170358697.db2.gz DNCKFCCUJQOOSL-MFKMUULPSA-N -1 1 314.349 0.903 20 0 DCADMM 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CC(C)(C)c1nnc(Sc2cncc(-c3nn[n-]n3)n2)n1N ZINC001609081884 1170801652 /nfs/dbraw/zinc/80/16/52/1170801652.db2.gz SJUFGXKBAUNKBN-UHFFFAOYSA-N -1 1 318.370 0.411 20 0 DCADMM C[C@@H](CC(=O)NCCn1cnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001609108114 1170812584 /nfs/dbraw/zinc/81/25/84/1170812584.db2.gz BNWYLORSPMJKCX-JTQLQIEISA-N -1 1 315.341 0.027 20 0 DCADMM C[C@H](Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O)C1CCCCC1 ZINC001609116380 1170816761 /nfs/dbraw/zinc/81/67/61/1170816761.db2.gz JUDLMUPGOJMPJU-SNVBAGLBSA-N -1 1 318.381 0.944 20 0 DCADMM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC001609122085 1170818932 /nfs/dbraw/zinc/81/89/32/1170818932.db2.gz QWUAJLJILNUTBE-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@H]1CCCOC1 ZINC001609122085 1170818942 /nfs/dbraw/zinc/81/89/42/1170818942.db2.gz QWUAJLJILNUTBE-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1CCCN1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001609166890 1170833950 /nfs/dbraw/zinc/83/39/50/1170833950.db2.gz JUHKDXOBIJZIFV-JTQLQIEISA-N -1 1 300.366 0.959 20 0 DCADMM CC1CCC(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)CC1 ZINC001609161814 1170834009 /nfs/dbraw/zinc/83/40/09/1170834009.db2.gz VGWGZFOBDSCBMO-UHFFFAOYSA-N -1 1 304.354 0.553 20 0 DCADMM C[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609163688 1170834168 /nfs/dbraw/zinc/83/41/68/1170834168.db2.gz DAVTWXDEGMMBEX-ZJUUUORDSA-N -1 1 322.394 0.976 20 0 DCADMM C[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609163688 1170834175 /nfs/dbraw/zinc/83/41/75/1170834175.db2.gz DAVTWXDEGMMBEX-ZJUUUORDSA-N -1 1 322.394 0.976 20 0 DCADMM C[C@@H]1CCCN1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001609166894 1170834616 /nfs/dbraw/zinc/83/46/16/1170834616.db2.gz JUHKDXOBIJZIFV-SNVBAGLBSA-N -1 1 300.366 0.959 20 0 DCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H](C(F)(F)F)O1 ZINC001609176523 1170847665 /nfs/dbraw/zinc/84/76/65/1170847665.db2.gz ZGFUILICXYFQBP-SVRRBLITSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H](C(F)(F)F)O1 ZINC001609176523 1170847674 /nfs/dbraw/zinc/84/76/74/1170847674.db2.gz ZGFUILICXYFQBP-SVRRBLITSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1COCC[C@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609176902 1170849550 /nfs/dbraw/zinc/84/95/50/1170849550.db2.gz IBDNZTUZSGQQBS-ZJUUUORDSA-N -1 1 302.338 0.664 20 0 DCADMM C[C@@H]1COCC[C@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609176902 1170849559 /nfs/dbraw/zinc/84/95/59/1170849559.db2.gz IBDNZTUZSGQQBS-ZJUUUORDSA-N -1 1 302.338 0.664 20 0 DCADMM CC[C@H](Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O)OC ZINC001609192163 1170860999 /nfs/dbraw/zinc/86/09/99/1170860999.db2.gz XLSTWDPXBNNYQT-SECBINFHSA-N -1 1 307.310 0.240 20 0 DCADMM CC[C@H]1CN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)C[C@@H](C)O1 ZINC001609202405 1170867131 /nfs/dbraw/zinc/86/71/31/1170867131.db2.gz HIMVVOBKQPIOLO-NEPJUHHUSA-N -1 1 318.381 0.794 20 0 DCADMM CCCCCN(CCO)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609208808 1170871101 /nfs/dbraw/zinc/87/11/01/1170871101.db2.gz SKHGAVFXKJPTTG-UHFFFAOYSA-N -1 1 304.354 0.886 20 0 DCADMM CCCCCN(CCO)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609208808 1170871107 /nfs/dbraw/zinc/87/11/07/1170871107.db2.gz SKHGAVFXKJPTTG-UHFFFAOYSA-N -1 1 304.354 0.886 20 0 DCADMM CCC[C@H]1CCC[C@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609206675 1170872361 /nfs/dbraw/zinc/87/23/61/1170872361.db2.gz HSIHIONXGRLILJ-WDEREUQCSA-N -1 1 318.385 0.791 20 0 DCADMM CCNC(=O)[C@H](C)NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001609228537 1170883007 /nfs/dbraw/zinc/88/30/07/1170883007.db2.gz ARPMQNRVOUWUKF-LURJTMIESA-N -1 1 324.370 0.278 20 0 DCADMM CCNC(=O)[C@H](C)NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001609228537 1170883018 /nfs/dbraw/zinc/88/30/18/1170883018.db2.gz ARPMQNRVOUWUKF-LURJTMIESA-N -1 1 324.370 0.278 20 0 DCADMM CCNC(=O)[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001609229752 1170888386 /nfs/dbraw/zinc/88/83/86/1170888386.db2.gz TWASHFBCURQXFC-NSHDSACASA-N -1 1 317.353 0.152 20 0 DCADMM CCNC(=O)[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001609229752 1170888397 /nfs/dbraw/zinc/88/83/97/1170888397.db2.gz TWASHFBCURQXFC-NSHDSACASA-N -1 1 317.353 0.152 20 0 DCADMM CCOC[C@H]1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001609240293 1170893143 /nfs/dbraw/zinc/89/31/43/1170893143.db2.gz VTPOLMQDHGCPQX-NSHDSACASA-N -1 1 304.354 0.344 20 0 DCADMM CN(C)c1noc(CNCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001609270917 1170905300 /nfs/dbraw/zinc/90/53/00/1170905300.db2.gz KTOJESRZDYERCF-UHFFFAOYSA-N -1 1 306.355 0.667 20 0 DCADMM CN(C[C@H](O)C(F)(F)F)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609272982 1170906082 /nfs/dbraw/zinc/90/60/82/1170906082.db2.gz KGHMHMLGKSGQJP-QMMMGPOBSA-N -1 1 316.243 0.257 20 0 DCADMM CN(C[C@H](O)C(F)(F)F)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609272982 1170906085 /nfs/dbraw/zinc/90/60/85/1170906085.db2.gz KGHMHMLGKSGQJP-QMMMGPOBSA-N -1 1 316.243 0.257 20 0 DCADMM CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609286860 1170913473 /nfs/dbraw/zinc/91/34/73/1170913473.db2.gz VEJUICHWRLZJCI-MRVPVSSYSA-N -1 1 304.310 0.058 20 0 DCADMM CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609286860 1170913479 /nfs/dbraw/zinc/91/34/79/1170913479.db2.gz VEJUICHWRLZJCI-MRVPVSSYSA-N -1 1 304.310 0.058 20 0 DCADMM CNC(=O)c1cccc(CCNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001609289082 1170914752 /nfs/dbraw/zinc/91/47/52/1170914752.db2.gz INGVVAJFTYDBRS-UHFFFAOYSA-N -1 1 324.348 0.671 20 0 DCADMM CNC(=O)c1cccc(CCNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001609289082 1170914755 /nfs/dbraw/zinc/91/47/55/1170914755.db2.gz INGVVAJFTYDBRS-UHFFFAOYSA-N -1 1 324.348 0.671 20 0 DCADMM CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609288724 1170915965 /nfs/dbraw/zinc/91/59/65/1170915965.db2.gz IKAOXSHTSWOYBG-JTQLQIEISA-N -1 1 320.353 0.659 20 0 DCADMM CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609288724 1170915971 /nfs/dbraw/zinc/91/59/71/1170915971.db2.gz IKAOXSHTSWOYBG-JTQLQIEISA-N -1 1 320.353 0.659 20 0 DCADMM COC1(c2noc([C@@H](C)n3cnc(-c4nn[n-]n4)n3)n2)CCC1 ZINC001609311939 1170929014 /nfs/dbraw/zinc/92/90/14/1170929014.db2.gz JWJIHLRVFPMMRJ-SSDOTTSWSA-N -1 1 317.313 0.476 20 0 DCADMM COCCn1cc(CNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001609330412 1170941989 /nfs/dbraw/zinc/94/19/89/1170941989.db2.gz JKVKQSUXTKXOTB-UHFFFAOYSA-N -1 1 301.314 0.112 20 0 DCADMM COCCn1cc(CNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001609330412 1170942000 /nfs/dbraw/zinc/94/20/00/1170942000.db2.gz JKVKQSUXTKXOTB-UHFFFAOYSA-N -1 1 301.314 0.112 20 0 DCADMM COc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])on1 ZINC001609339721 1170944669 /nfs/dbraw/zinc/94/46/69/1170944669.db2.gz HQJBROLIWKUQCK-UHFFFAOYSA-N -1 1 302.250 0.821 20 0 DCADMM Cc1c([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)cnn1C ZINC001609382770 1170957080 /nfs/dbraw/zinc/95/70/80/1170957080.db2.gz QYMMTKPZEFAGMT-ZETCQYMHSA-N -1 1 301.310 0.993 20 0 DCADMM Cc1c([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)cnn1C ZINC001609382770 1170957084 /nfs/dbraw/zinc/95/70/84/1170957084.db2.gz QYMMTKPZEFAGMT-ZETCQYMHSA-N -1 1 301.310 0.993 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC001609392258 1170961546 /nfs/dbraw/zinc/96/15/46/1170961546.db2.gz KMNKNJNHJHUDOE-QMMMGPOBSA-N -1 1 300.326 0.140 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC001609392258 1170961550 /nfs/dbraw/zinc/96/15/50/1170961550.db2.gz KMNKNJNHJHUDOE-QMMMGPOBSA-N -1 1 300.326 0.140 20 0 DCADMM Cc1ccnc(N2CC[N@@H+]3CCOC[C@H]3C2)c1-c1nn[nH]n1 ZINC001609438845 1170976360 /nfs/dbraw/zinc/97/63/60/1170976360.db2.gz NWIHHEJQUABDSA-LLVKDONJSA-N -1 1 301.354 0.091 20 0 DCADMM Cc1ccnc(N2CC[N@H+]3CCOC[C@H]3C2)c1-c1nn[nH]n1 ZINC001609438845 1170976363 /nfs/dbraw/zinc/97/63/63/1170976363.db2.gz NWIHHEJQUABDSA-LLVKDONJSA-N -1 1 301.354 0.091 20 0 DCADMM Cc1cnccc1CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609441433 1170979558 /nfs/dbraw/zinc/97/95/58/1170979558.db2.gz FIMMMQKAKKVQCX-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1cnccc1CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609441433 1170979564 /nfs/dbraw/zinc/97/95/64/1170979564.db2.gz FIMMMQKAKKVQCX-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1nc(C)n(C2CN(c3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001609449411 1170981151 /nfs/dbraw/zinc/98/11/51/1170981151.db2.gz CXAYIYMAAGMQLE-UHFFFAOYSA-N -1 1 317.382 0.901 20 0 DCADMM Cc1nsc(NC(=O)NCC(F)(F)CO)c1-c1nnn[n-]1 ZINC001609464855 1170986611 /nfs/dbraw/zinc/98/66/11/1170986611.db2.gz COMSBVJBXZKMEC-UHFFFAOYSA-N -1 1 319.297 0.381 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(F)c(F)c2)c1=O ZINC001609477416 1170992341 /nfs/dbraw/zinc/99/23/41/1170992341.db2.gz VBXYAIKLAJUDNS-UHFFFAOYSA-N -1 1 320.259 0.054 20 0 DCADMM FC(F)CN1CCC(Nc2ncncc2-c2nn[n-]n2)CC1 ZINC001609486010 1170996015 /nfs/dbraw/zinc/99/60/15/1170996015.db2.gz BRLAIAMKBZQAHH-UHFFFAOYSA-N -1 1 310.312 0.798 20 0 DCADMM NC(=O)[C@@H](Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001609501085 1171000474 /nfs/dbraw/zinc/00/04/74/1171000474.db2.gz AMVLMIKZQIWXKW-SNVBAGLBSA-N -1 1 310.321 0.165 20 0 DCADMM NC(=O)[C@@H](Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001609501085 1171000481 /nfs/dbraw/zinc/00/04/81/1171000481.db2.gz AMVLMIKZQIWXKW-SNVBAGLBSA-N -1 1 310.321 0.165 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001609551374 1171018143 /nfs/dbraw/zinc/01/81/43/1171018143.db2.gz BRQOVUNHOLOSIQ-GHMZBOCLSA-N -1 1 316.369 0.401 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCOCC2(CC2)C1 ZINC001609567283 1171024611 /nfs/dbraw/zinc/02/46/11/1171024611.db2.gz ZLWISLXPHCHZBD-UHFFFAOYSA-N -1 1 315.337 0.906 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCOCC2(CC2)C1 ZINC001609567283 1171024617 /nfs/dbraw/zinc/02/46/17/1171024617.db2.gz ZLWISLXPHCHZBD-UHFFFAOYSA-N -1 1 315.337 0.906 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1C[C@@H](O)CC(F)(F)C1 ZINC001609583795 1171029249 /nfs/dbraw/zinc/02/92/49/1171029249.db2.gz LQWGSUCSCIIBPO-QMMMGPOBSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1C[C@@H](O)CC(F)(F)C1 ZINC001609583795 1171029255 /nfs/dbraw/zinc/02/92/55/1171029255.db2.gz LQWGSUCSCIIBPO-QMMMGPOBSA-N -1 1 310.264 0.104 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CC[C@H]1C1CC1 ZINC001609598342 1171037186 /nfs/dbraw/zinc/03/71/86/1171037186.db2.gz ZKPLEHAVOWSFIO-VIFPVBQESA-N -1 1 306.351 0.435 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCCCO1 ZINC001609597202 1171037952 /nfs/dbraw/zinc/03/79/52/1171037952.db2.gz KCTZYLWSHLOPQP-UHFFFAOYSA-N -1 1 310.339 0.368 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCCCO1 ZINC001609597202 1171037959 /nfs/dbraw/zinc/03/79/59/1171037959.db2.gz KCTZYLWSHLOPQP-UHFFFAOYSA-N -1 1 310.339 0.368 20 0 DCADMM O=c1[n-]nc([C@@H]2CCCN(c3ncncc3-c3nn[nH]n3)C2)o1 ZINC001609604534 1171039011 /nfs/dbraw/zinc/03/90/11/1171039011.db2.gz VHWJDMAJIZSYTG-SSDOTTSWSA-N -1 1 315.297 0.129 20 0 DCADMM CC(C)[C@]1(C2CC2)NC(=O)N(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)C1=O ZINC001609689244 1171068045 /nfs/dbraw/zinc/06/80/45/1171068045.db2.gz XAMCEIAAHKWJAX-NSODJVPESA-N -1 1 323.393 0.953 20 0 DCADMM CC(C)Nc1ncccc1C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001609708140 1171071361 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Cn1[n-]c(CN2CC[C@H]3[C@H]2CCCN3C(=O)C2CCC2)nc1=O ZINC001049278110 755214597 /nfs/dbraw/zinc/21/45/97/755214597.db2.gz ZNLGBYLDQDWNDK-OLZOCXBDSA-N -1 1 319.409 0.474 20 0 DCADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC2(C)C)C3)nc1=O ZINC001096968230 755558191 /nfs/dbraw/zinc/55/81/91/755558191.db2.gz DRDRSZNTFOASBW-KKOKHZNYSA-N -1 1 319.409 0.376 20 0 DCADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=CCCC2)C3)nc1=O ZINC001096947903 755562827 /nfs/dbraw/zinc/56/28/27/755562827.db2.gz NILSOOCTBLBOFV-UPJWGTAASA-N -1 1 317.393 0.440 20 0 DCADMM CCN(C(=O)CSC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079268711 755764548 /nfs/dbraw/zinc/76/45/48/755764548.db2.gz PQCKSCLFAXVLRG-UHFFFAOYSA-N -1 1 309.391 0.823 20 0 DCADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001079539287 755896396 /nfs/dbraw/zinc/89/63/96/755896396.db2.gz CSTGPZHLTUVEOA-DIACKHNESA-N -1 1 319.409 0.091 20 0 DCADMM CC(C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C)=C1CCC1 ZINC001079676239 755956344 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CC[C@@H](C)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001570921233 948616645 /nfs/dbraw/zinc/61/66/45/948616645.db2.gz RPYNFFZEGPFCFE-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H]1CC[C@H](O)C1 ZINC001570921556 948623151 /nfs/dbraw/zinc/62/31/51/948623151.db2.gz FGNREPYUSHPTPH-IUCAKERBSA-N -1 1 318.337 0.167 20 0 DCADMM C[C@@H](C(=O)NCCn1cnc(-c2nn[n-]n2)n1)[C@@H](C)C(C)(C)C ZINC001570923027 948653582 /nfs/dbraw/zinc/65/35/82/948653582.db2.gz RSZJLHIWTPUSHY-NXEZZACHSA-N -1 1 320.401 0.893 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCN(CC(F)F)CC1 ZINC001263722389 948737551 /nfs/dbraw/zinc/73/75/51/948737551.db2.gz UHJNYLVIELKTNG-UHFFFAOYSA-N -1 1 318.349 0.802 20 0 DCADMM CC(C)[C@@H](F)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574080441 948794268 /nfs/dbraw/zinc/79/42/68/948794268.db2.gz KIBBVBXJDKFYGT-SNVBAGLBSA-N -1 1 322.348 0.203 20 0 DCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1C[C@@H]1C ZINC001574683355 948849404 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953108685 /nfs/dbraw/zinc/10/86/85/953108685.db2.gz DOSSSXWMVLKCJD-MNOVXSKESA-N -1 1 307.354 0.119 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001412826829 953116323 /nfs/dbraw/zinc/11/63/23/953116323.db2.gz KXTOSQTWGFRATN-DTWKUNHWSA-N -1 1 313.379 0.028 20 0 DCADMM CN(CCOCc1ccccc1)C(=O)[C@]1(C(=O)[O-])CNCCO1 ZINC001340001970 953137460 /nfs/dbraw/zinc/13/74/60/953137460.db2.gz GRNKRKFYIPVOHK-INIZCTEOSA-N -1 1 322.361 0.105 20 0 DCADMM Cn1c(-c2nnn[n-]2)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC001341257193 953219438 /nfs/dbraw/zinc/21/94/38/953219438.db2.gz ZEURFOKOWMZXLI-UHFFFAOYSA-N -1 1 318.291 0.836 20 0 DCADMM Cn1c(-c2nn[n-]n2)nnc1N1CCc2ccc(F)c(F)c2C1 ZINC001341257193 953219440 /nfs/dbraw/zinc/21/94/40/953219440.db2.gz ZEURFOKOWMZXLI-UHFFFAOYSA-N -1 1 318.291 0.836 20 0 DCADMM O=C([O-])[C@@]1(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)CNCCO1 ZINC001341463007 953232683 /nfs/dbraw/zinc/23/26/83/953232683.db2.gz KDFZSALMLALEEX-DOMZBBRYSA-N -1 1 324.764 0.887 20 0 DCADMM 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303.366 0.740 20 0 DCADMM C[C@@H](CNC(=O)CCc1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC001366351384 954079636 /nfs/dbraw/zinc/07/96/36/954079636.db2.gz DIVVOWCRPVMJDE-NSHDSACASA-N -1 1 303.366 0.737 20 0 DCADMM CN(C)Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1 ZINC001593702453 954134750 /nfs/dbraw/zinc/13/47/50/954134750.db2.gz QLYMBOUWVWGBKK-MLGOLLRUSA-N -1 1 319.361 0.316 20 0 DCADMM Cc1nnc(CN[C@H](C)CCNC(=O)c2[nH]nc(C)c2[O-])s1 ZINC001366444394 954200335 /nfs/dbraw/zinc/20/03/35/954200335.db2.gz GWMVLVWMOHEQPU-SSDOTTSWSA-N -1 1 324.410 0.882 20 0 DCADMM CN(CC(F)F)C1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001593727254 954285743 /nfs/dbraw/zinc/28/57/43/954285743.db2.gz CMNXICUWKMCCFR-NSHDSACASA-N -1 1 319.352 0.333 20 0 DCADMM O=C(NCCNC(=O)c1ncccc1[O-])c1ccnc(F)c1 ZINC001348599988 954383341 /nfs/dbraw/zinc/38/33/41/954383341.db2.gz MCNKHFUDRVDGBP-UHFFFAOYSA-N -1 1 304.281 0.481 20 0 DCADMM CN1CCN(c2ncccc2CNC(=O)C2(C(=O)[O-])CC2)CC1 ZINC001593787194 954716514 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CC(C)N(C)C(=O)CN(C)CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001591550280 992741258 /nfs/dbraw/zinc/74/12/58/992741258.db2.gz FNXFKPITUZOHFJ-NEPJUHHUSA-N -1 1 313.398 0.012 20 0 DCADMM CC(C)N(CC(N)=O)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001591573428 992776685 /nfs/dbraw/zinc/77/66/85/992776685.db2.gz DQODIPAPNMIMJL-LBPRGKRZSA-N -1 1 310.350 0.320 20 0 DCADMM CC[C@H](C)OCC(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001393304112 992859735 /nfs/dbraw/zinc/85/97/35/992859735.db2.gz MPMYPWMUQCLPLB-RYUDHWBXSA-N -1 1 321.377 0.933 20 0 DCADMM CN1C[C@@H](CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)OC1=O ZINC001598567300 993158642 /nfs/dbraw/zinc/15/86/42/993158642.db2.gz QOIGDVMIDNLKPW-NSHDSACASA-N -1 1 312.366 0.519 20 0 DCADMM CN1C[C@H](O)C[C@]1(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001598568027 993165391 /nfs/dbraw/zinc/16/53/91/993165391.db2.gz ARTJEKNSWGVXFZ-DVOMOZLQSA-N -1 1 306.362 0.254 20 0 DCADMM CN1C[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCCC2)C(C)(C)C1 ZINC001598568872 993173856 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CN1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1(C)C ZINC001598607003 993680955 /nfs/dbraw/zinc/68/09/55/993680955.db2.gz GTRMYDCLVGRDLQ-UHFFFAOYSA-N -1 1 307.350 0.099 20 0 DCADMM Cc1c[nH]c(C(=O)N(C)[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)n1 ZINC001394448325 993716234 /nfs/dbraw/zinc/71/62/34/993716234.db2.gz JUZGEQMBBBNJEA-JTQLQIEISA-N -1 1 319.369 0.182 20 0 DCADMM C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CC1)NCc1n[nH]c(=O)[n-]1 ZINC001394520541 993794219 /nfs/dbraw/zinc/79/42/19/993794219.db2.gz GFCVEOQLNFHELJ-ZETCQYMHSA-N -1 1 321.303 0.789 20 0 DCADMM CN1CCN(C(=O)c2ncc3ccccn32)C[C@@H](C(=O)[O-])C1 ZINC001598612624 993809009 /nfs/dbraw/zinc/80/90/09/993809009.db2.gz VSTZMWVKCVEBIZ-NSHDSACASA-N -1 1 302.334 0.423 20 0 DCADMM C[C@H](CN(C)C(=O)c1cnoc1C1CC1)NCc1n[nH]c(=O)[n-]1 ZINC001394541688 993812899 /nfs/dbraw/zinc/81/28/99/993812899.db2.gz GTVXAEJDMYHIPQ-MRVPVSSYSA-N -1 1 320.353 0.626 20 0 DCADMM Cn1cc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c(C(C)(C)C)n1 ZINC001598612978 993817089 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/nfs/dbraw/zinc/53/12/60/994531260.db2.gz NUCBVQKCEIVVML-OAHLLOKOSA-N -1 1 310.350 0.995 20 0 DCADMM O=C(NCC1(NC(=O)c2ncccc2[O-])CC1)c1cncs1 ZINC001400535790 994625008 /nfs/dbraw/zinc/62/50/08/994625008.db2.gz XWXZTUYIFZGJLJ-UHFFFAOYSA-N -1 1 318.358 0.936 20 0 DCADMM CNS(=O)(=O)[C@@H]1CCCN(C[C@@H]2CC(C(=O)[O-])=C(C)O2)C1 ZINC001598669021 994723198 /nfs/dbraw/zinc/72/31/98/994723198.db2.gz IBXLFXVBUKBSAI-WDEREUQCSA-N -1 1 318.395 0.148 20 0 DCADMM CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001598669115 994724121 /nfs/dbraw/zinc/72/41/21/994724121.db2.gz IZOPEUMPJLWMEC-GFCCVEGCSA-N -1 1 312.391 0.817 20 0 DCADMM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C(=O)[O-])c1cccnc1 ZINC001598670432 994746476 /nfs/dbraw/zinc/74/64/76/994746476.db2.gz DODRIGOIOXWTNX-NWDGAFQWSA-N -1 1 313.379 0.221 20 0 DCADMM CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C(=O)[O-])c1cccnc1 ZINC001598670433 994747414 /nfs/dbraw/zinc/74/74/14/994747414.db2.gz DODRIGOIOXWTNX-RYUDHWBXSA-N -1 1 313.379 0.221 20 0 DCADMM CNS(=O)(=O)CCN[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001598672556 994783031 /nfs/dbraw/zinc/78/30/31/994783031.db2.gz UDKOUBOPHDFJOU-JTQLQIEISA-N -1 1 316.379 0.350 20 0 DCADMM CNc1cnc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cn1 ZINC001598679776 994908467 /nfs/dbraw/zinc/90/84/67/994908467.db2.gz NPHVERMJSHXNTR-SNVBAGLBSA-N -1 1 307.354 0.139 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1ccns1 ZINC001464383449 1015903881 /nfs/dbraw/zinc/90/38/81/1015903881.db2.gz WZMQDBONWZONGN-UHFFFAOYSA-N -1 1 316.364 0.174 20 0 DCADMM O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cnncc1[O-] ZINC001464395012 1015905508 /nfs/dbraw/zinc/90/55/08/1015905508.db2.gz DCXAEWDBSKZGJL-GFCCVEGCSA-N -1 1 316.317 0.696 20 0 DCADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2c(C)n[nH]c2C)c1 ZINC001464514507 1015915739 /nfs/dbraw/zinc/91/57/39/1015915739.db2.gz TZOWYJLVJAVOEW-UHFFFAOYSA-N -1 1 313.335 0.885 20 0 DCADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)[C@H](O)C(C)C ZINC001396302616 995314491 /nfs/dbraw/zinc/31/44/91/995314491.db2.gz 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/nfs/dbraw/zinc/44/69/34/605446934.db2.gz SEFPZJWLEJHMHW-LBPRGKRZSA-N -1 1 301.387 0.292 20 0 DCADMM CC[C@H](CO)N1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1 ZINC000826587532 605447394 /nfs/dbraw/zinc/44/73/94/605447394.db2.gz VFUZNFADWDFCBX-LLVKDONJSA-N -1 1 301.387 0.338 20 0 DCADMM O=C([O-])N1CCN(CCN2C(=O)CNC2=O)C2(CCCCC2)C1 ZINC000832031265 605476946 /nfs/dbraw/zinc/47/69/46/605476946.db2.gz KJFHLEQGJPQGGT-UHFFFAOYSA-N -1 1 324.381 0.537 20 0 DCADMM COc1cc(F)ccc1N1CCN(C[C@@](C)(O)C(=O)[O-])CC1 ZINC000833729001 605497785 /nfs/dbraw/zinc/49/77/85/605497785.db2.gz LDYHUDYYVLOEKP-OAHLLOKOSA-N -1 1 312.341 0.792 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(C3CC3)CC2)n1 ZINC000826357269 607764334 /nfs/dbraw/zinc/76/43/34/607764334.db2.gz YBZSLRKXYWSTFO-UHFFFAOYSA-N -1 1 302.342 0.912 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(C3CC3)CC2)n1 ZINC000826357269 607764335 /nfs/dbraw/zinc/76/43/35/607764335.db2.gz YBZSLRKXYWSTFO-UHFFFAOYSA-N -1 1 302.342 0.912 20 0 DCADMM O=C([O-])NC1CCN(CC(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000832382334 605673627 /nfs/dbraw/zinc/67/36/27/605673627.db2.gz VGCWZJXCIHJLPT-CQSZACIVSA-N -1 1 324.425 0.415 20 0 DCADMM C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000824908695 605707400 /nfs/dbraw/zinc/70/74/00/605707400.db2.gz WAYCEUMYQYKTGE-VXGBXAGGSA-N -1 1 314.430 0.421 20 0 DCADMM O=C([O-])N1CCO[C@H](C(=O)Nc2ccccc2-c2nnc[nH]2)C1 ZINC000834056242 605710535 /nfs/dbraw/zinc/71/05/35/605710535.db2.gz MRHRAELZZKEGSK-NSHDSACASA-N -1 1 317.305 0.789 20 0 DCADMM C[C@@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)N1CCN(C)CC1 ZINC000824973933 605718401 /nfs/dbraw/zinc/71/84/01/605718401.db2.gz PURFOSLKMPSTSJ-NWDGAFQWSA-N -1 1 314.430 0.421 20 0 DCADMM CCCNC(=O)NC(=O)CN1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833856083 605903683 /nfs/dbraw/zinc/90/36/83/605903683.db2.gz WQOYIZHWKNGFOC-ZJUUUORDSA-N -1 1 300.359 0.200 20 0 DCADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)n2[n-]ccc2n1 ZINC000834095933 605964312 /nfs/dbraw/zinc/96/43/12/605964312.db2.gz QBXBZGYDHJPMJI-NEPJUHHUSA-N -1 1 317.349 0.739 20 0 DCADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000833479994 605965251 /nfs/dbraw/zinc/96/52/51/605965251.db2.gz PCWYIGNITUAFIN-ZJUUUORDSA-N -1 1 310.358 0.588 20 0 DCADMM CCN(C[C@H]1CCOC1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821207322 606165276 /nfs/dbraw/zinc/16/52/76/606165276.db2.gz LGEZKIYMLCGQQZ-SECBINFHSA-N -1 1 320.357 0.491 20 0 DCADMM CCN(C[C@H]1CCOC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821207322 606165277 /nfs/dbraw/zinc/16/52/77/606165277.db2.gz LGEZKIYMLCGQQZ-SECBINFHSA-N -1 1 320.357 0.491 20 0 DCADMM COC(=O)[C@H]1CCC[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000821655325 606196725 /nfs/dbraw/zinc/19/67/25/606196725.db2.gz JFZNCXWZTUENHE-YUMQZZPRSA-N -1 1 319.325 0.265 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC(OCC(F)F)C1 ZINC000823478626 606299944 /nfs/dbraw/zinc/29/99/44/606299944.db2.gz NHVIVYOCIHDOOL-UHFFFAOYSA-N -1 1 310.264 0.368 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC(OCC(F)F)C1 ZINC000823478626 606299946 /nfs/dbraw/zinc/29/99/46/606299946.db2.gz NHVIVYOCIHDOOL-UHFFFAOYSA-N -1 1 310.264 0.368 20 0 DCADMM CC(C)OC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820142298 606496761 /nfs/dbraw/zinc/49/67/61/606496761.db2.gz JULISIMQWLRFPF-UHFFFAOYSA-N -1 1 309.351 1.000 20 0 DCADMM CC(C)OC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820142298 606496763 /nfs/dbraw/zinc/49/67/63/606496763.db2.gz JULISIMQWLRFPF-UHFFFAOYSA-N -1 1 309.351 1.000 20 0 DCADMM CC(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819796550 606520802 /nfs/dbraw/zinc/52/08/02/606520802.db2.gz LJOQEYJQVRJEFF-UHFFFAOYSA-N -1 1 320.378 0.623 20 0 DCADMM CC(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819796550 606520804 /nfs/dbraw/zinc/52/08/04/606520804.db2.gz LJOQEYJQVRJEFF-UHFFFAOYSA-N -1 1 320.378 0.623 20 0 DCADMM CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821631461 606524726 /nfs/dbraw/zinc/52/47/26/606524726.db2.gz JQHRQIGNRSELLX-QMMMGPOBSA-N -1 1 320.378 0.669 20 0 DCADMM CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821631461 606524728 /nfs/dbraw/zinc/52/47/28/606524728.db2.gz JQHRQIGNRSELLX-QMMMGPOBSA-N -1 1 320.378 0.669 20 0 DCADMM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820683413 606527290 /nfs/dbraw/zinc/52/72/90/606527290.db2.gz AUWHKABHBSVNLL-JGVFFNPUSA-N -1 1 320.378 0.654 20 0 DCADMM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820683413 606527291 /nfs/dbraw/zinc/52/72/91/606527291.db2.gz AUWHKABHBSVNLL-JGVFFNPUSA-N -1 1 320.378 0.654 20 0 DCADMM Cn1cc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000822679522 606527575 /nfs/dbraw/zinc/52/75/75/606527575.db2.gz FJDXANNIOVMBBX-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1cc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000822679522 606527577 /nfs/dbraw/zinc/52/75/77/606527577.db2.gz FJDXANNIOVMBBX-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM O=C(N[C@@H]1CCc2nccn2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823160457 606538424 /nfs/dbraw/zinc/53/84/24/606538424.db2.gz BPIIBUAJDRADBL-MRVPVSSYSA-N -1 1 315.362 0.870 20 0 DCADMM NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000822859250 606569810 /nfs/dbraw/zinc/56/98/10/606569810.db2.gz GCBKDTHTHHTVES-HTQZYQBOSA-N -1 1 320.378 0.702 20 0 DCADMM NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000822859250 606569811 /nfs/dbraw/zinc/56/98/11/606569811.db2.gz GCBKDTHTHHTVES-HTQZYQBOSA-N -1 1 320.378 0.702 20 0 DCADMM CCCCN(CCO)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821065300 606596850 /nfs/dbraw/zinc/59/68/50/606596850.db2.gz HZOUKRSFMSURHM-UHFFFAOYSA-N -1 1 308.346 0.227 20 0 DCADMM CCCCN(CCO)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821065300 606596851 /nfs/dbraw/zinc/59/68/51/606596851.db2.gz HZOUKRSFMSURHM-UHFFFAOYSA-N -1 1 308.346 0.227 20 0 DCADMM NC(=O)c1c[nH]c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000822879585 606600722 /nfs/dbraw/zinc/60/07/22/606600722.db2.gz DLPHXUHGFMXGIU-UHFFFAOYSA-N -1 1 313.277 0.252 20 0 DCADMM CC(C)(C)C(=O)NCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819898364 606652295 /nfs/dbraw/zinc/65/22/95/606652295.db2.gz FJIGLECHNICHPK-UHFFFAOYSA-N -1 1 318.337 0.467 20 0 DCADMM CC(C)(C)C(=O)NCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819898364 606652296 /nfs/dbraw/zinc/65/22/96/606652296.db2.gz FJIGLECHNICHPK-UHFFFAOYSA-N -1 1 318.337 0.467 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1ccc(F)cc1F ZINC000822903790 606695208 /nfs/dbraw/zinc/69/52/08/606695208.db2.gz OMUOPWTVJBUTQJ-UHFFFAOYSA-N -1 1 305.248 0.807 20 0 DCADMM CN(C)S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nn[nH]n1 ZINC000821588333 606707132 /nfs/dbraw/zinc/70/71/32/606707132.db2.gz MWPDNFOVOQEKBW-UHFFFAOYSA-N -1 1 314.375 0.037 20 0 DCADMM Cc1ccn(C)c(=O)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822369595 606953505 /nfs/dbraw/zinc/95/35/05/606953505.db2.gz KQVIORUACMWSML-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM Cc1ccn(C)c(=O)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822369595 606953507 /nfs/dbraw/zinc/95/35/07/606953507.db2.gz KQVIORUACMWSML-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM C[C@H](CCNC(=O)c1ccc(-c2nnn[n-]2)s1)[S@@](C)=O ZINC000820241097 607098647 /nfs/dbraw/zinc/09/86/47/607098647.db2.gz DKTRDQJIIJKVAS-JLPJYYFKSA-N -1 1 313.408 0.815 20 0 DCADMM C[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)s1)[S@@](C)=O ZINC000820241097 607098648 /nfs/dbraw/zinc/09/86/48/607098648.db2.gz DKTRDQJIIJKVAS-JLPJYYFKSA-N -1 1 313.408 0.815 20 0 DCADMM NC(=O)c1cccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000822889735 607103513 /nfs/dbraw/zinc/10/35/13/607103513.db2.gz CZEUTCMAZSIWDX-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM NC(=O)c1cccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000822889735 607103515 /nfs/dbraw/zinc/10/35/15/607103515.db2.gz CZEUTCMAZSIWDX-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820235760 607129777 /nfs/dbraw/zinc/12/97/77/607129777.db2.gz UTRLXKVGJPWNID-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820235760 607129778 /nfs/dbraw/zinc/12/97/78/607129778.db2.gz UTRLXKVGJPWNID-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM COC(=O)[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821652010 607137635 /nfs/dbraw/zinc/13/76/35/607137635.db2.gz KOAAWALEXHNUQB-CQSZACIVSA-N -1 1 316.321 0.287 20 0 DCADMM COC(=O)[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821652010 607137637 /nfs/dbraw/zinc/13/76/37/607137637.db2.gz KOAAWALEXHNUQB-CQSZACIVSA-N -1 1 316.321 0.287 20 0 DCADMM COCCC1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821686606 607193438 /nfs/dbraw/zinc/19/34/38/607193438.db2.gz XZKLIZPTLZGPDW-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM COCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821686606 607193439 /nfs/dbraw/zinc/19/34/39/607193439.db2.gz XZKLIZPTLZGPDW-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000820735613 607207953 /nfs/dbraw/zinc/20/79/53/607207953.db2.gz UCODYBSCLGNAJH-SECBINFHSA-N -1 1 310.321 0.609 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@H]1Cc1ccccc1 ZINC000823122480 607221756 /nfs/dbraw/zinc/22/17/56/607221756.db2.gz BZSSWWGYPLCVEK-LBPRGKRZSA-N -1 1 324.348 0.302 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCC(F)(F)C1 ZINC000823127319 607225339 /nfs/dbraw/zinc/22/53/39/607225339.db2.gz ZOYCZETUMVPTBC-SSDOTTSWSA-N -1 1 312.284 0.152 20 0 DCADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC000824427769 607825326 /nfs/dbraw/zinc/82/53/26/607825326.db2.gz OTAIRBGPBBGJQS-LURJTMIESA-N -1 1 315.380 0.091 20 0 DCADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC000824427769 607825327 /nfs/dbraw/zinc/82/53/27/607825327.db2.gz OTAIRBGPBBGJQS-LURJTMIESA-N -1 1 315.380 0.091 20 0 DCADMM CCCNC(=O)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825332974 607865098 /nfs/dbraw/zinc/86/50/98/607865098.db2.gz OKLHRZZWYZSFHV-UHFFFAOYSA-N -1 1 322.300 0.620 20 0 DCADMM CCCNC(=O)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825332974 607865099 /nfs/dbraw/zinc/86/50/99/607865099.db2.gz OKLHRZZWYZSFHV-UHFFFAOYSA-N -1 1 322.300 0.620 20 0 DCADMM Cc1ccccc1OC[C@H](O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826307505 607869122 /nfs/dbraw/zinc/86/91/22/607869122.db2.gz KYXVLZBYIWYXJO-SNVBAGLBSA-N -1 1 301.310 0.207 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCC2(C1)OCCO2 ZINC000826472634 607995966 /nfs/dbraw/zinc/99/59/66/607995966.db2.gz RCNVDKZAMTUHSH-UHFFFAOYSA-N -1 1 316.321 0.241 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCC2(C1)OCCO2 ZINC000826472634 607995967 /nfs/dbraw/zinc/99/59/67/607995967.db2.gz RCNVDKZAMTUHSH-UHFFFAOYSA-N -1 1 316.321 0.241 20 0 DCADMM CCC1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC000825176297 608073874 /nfs/dbraw/zinc/07/38/74/608073874.db2.gz OATOBMUFLSDZJQ-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM CCC1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC000825176297 608073875 /nfs/dbraw/zinc/07/38/75/608073875.db2.gz OATOBMUFLSDZJQ-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM Nc1ccnc(CNc2snc(Cl)c2-c2nnn[n-]2)n1 ZINC000826396254 608190941 /nfs/dbraw/zinc/19/09/41/608190941.db2.gz ONBKUVPLGXCYAF-UHFFFAOYSA-N -1 1 309.746 0.961 20 0 DCADMM Nc1ccnc(CNc2snc(Cl)c2-c2nn[n-]n2)n1 ZINC000826396254 608190942 /nfs/dbraw/zinc/19/09/42/608190942.db2.gz ONBKUVPLGXCYAF-UHFFFAOYSA-N -1 1 309.746 0.961 20 0 DCADMM O=C(NC[C@@H](O)c1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826433532 608197492 /nfs/dbraw/zinc/19/74/92/608197492.db2.gz JLNVLLGEQCDFDX-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NC[C@@H](O)c1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826433532 608197494 /nfs/dbraw/zinc/19/74/94/608197494.db2.gz JLNVLLGEQCDFDX-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@]2(C)CCCOC2)n1 ZINC000826356783 608266554 /nfs/dbraw/zinc/26/65/54/608266554.db2.gz FTJFWIRICZCVMO-GFCCVEGCSA-N -1 1 306.330 0.291 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@]2(C)CCCOC2)n1 ZINC000826356783 608266555 /nfs/dbraw/zinc/26/65/55/608266555.db2.gz FTJFWIRICZCVMO-GFCCVEGCSA-N -1 1 306.330 0.291 20 0 DCADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC000824961360 608341853 /nfs/dbraw/zinc/34/18/53/608341853.db2.gz BXARYVONIPXQLH-ZJUUUORDSA-N -1 1 322.394 0.928 20 0 DCADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC000824961360 608341855 /nfs/dbraw/zinc/34/18/55/608341855.db2.gz BXARYVONIPXQLH-ZJUUUORDSA-N -1 1 322.394 0.928 20 0 DCADMM c1cc(-c2noc(CNc3ccc(-c4nnn[n-]4)nn3)n2)ccn1 ZINC000826515347 608393998 /nfs/dbraw/zinc/39/39/98/608393998.db2.gz WIPVQRIHVZTNPY-UHFFFAOYSA-N -1 1 322.292 0.714 20 0 DCADMM c1cc(-c2noc(CNc3ccc(-c4nn[n-]n4)nn3)n2)ccn1 ZINC000826515347 608394000 /nfs/dbraw/zinc/39/40/00/608394000.db2.gz WIPVQRIHVZTNPY-UHFFFAOYSA-N -1 1 322.292 0.714 20 0 DCADMM CCc1nc2n(n1)C[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000825750230 608415461 /nfs/dbraw/zinc/41/54/61/608415461.db2.gz NCNGEDHOXDAUBB-QMMMGPOBSA-N -1 1 312.341 0.238 20 0 DCADMM CCc1nc2n(n1)C[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000825750230 608415463 /nfs/dbraw/zinc/41/54/63/608415463.db2.gz NCNGEDHOXDAUBB-QMMMGPOBSA-N -1 1 312.341 0.238 20 0 DCADMM O=C(C1CC1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826398339 608502580 /nfs/dbraw/zinc/50/25/80/608502580.db2.gz VDZACAFZSPJFIH-UHFFFAOYSA-N -1 1 302.338 0.514 20 0 DCADMM O=C(C1CC1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826398339 608502582 /nfs/dbraw/zinc/50/25/82/608502582.db2.gz VDZACAFZSPJFIH-UHFFFAOYSA-N -1 1 302.338 0.514 20 0 DCADMM c1cnn(C[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)c1 ZINC000826526359 608691937 /nfs/dbraw/zinc/69/19/37/608691937.db2.gz VPMNYOPANLXINY-LBPRGKRZSA-N -1 1 315.337 0.557 20 0 DCADMM c1cnn(C[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)c1 ZINC000826526359 608691941 /nfs/dbraw/zinc/69/19/41/608691941.db2.gz VPMNYOPANLXINY-LBPRGKRZSA-N -1 1 315.337 0.557 20 0 DCADMM O=c1c2ccccc2ncn1CCn1ccnc1-c1nnn[n-]1 ZINC000826501594 608893352 /nfs/dbraw/zinc/89/33/52/608893352.db2.gz XQGCZPABGPRGIS-UHFFFAOYSA-N -1 1 308.305 0.473 20 0 DCADMM O=c1c2ccccc2ncn1CCn1ccnc1-c1nn[n-]n1 ZINC000826501594 608893355 /nfs/dbraw/zinc/89/33/55/608893355.db2.gz XQGCZPABGPRGIS-UHFFFAOYSA-N -1 1 308.305 0.473 20 0 DCADMM CCN(Cc1cn(C)nn1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825439611 609409881 /nfs/dbraw/zinc/40/98/81/609409881.db2.gz HGLNIIZJUPAWCU-UHFFFAOYSA-N -1 1 313.325 0.053 20 0 DCADMM CCN(Cc1cn(C)nn1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825439611 609409883 /nfs/dbraw/zinc/40/98/83/609409883.db2.gz HGLNIIZJUPAWCU-UHFFFAOYSA-N -1 1 313.325 0.053 20 0 DCADMM CCC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(=O)OC ZINC000825242211 609469953 /nfs/dbraw/zinc/46/99/53/609469953.db2.gz LGQJHSAZXVMRSK-MRVPVSSYSA-N -1 1 322.325 0.164 20 0 DCADMM CCC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(=O)OC ZINC000825242211 609469955 /nfs/dbraw/zinc/46/99/55/609469955.db2.gz LGQJHSAZXVMRSK-MRVPVSSYSA-N -1 1 322.325 0.164 20 0 DCADMM COCCN1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1=O ZINC000826159796 609493117 /nfs/dbraw/zinc/49/31/17/609493117.db2.gz SFQXLQWLCPQMSQ-UHFFFAOYSA-N -1 1 322.394 0.219 20 0 DCADMM O=S1(=O)CCCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000826497005 609589746 /nfs/dbraw/zinc/58/97/46/609589746.db2.gz QRYRTSMSQXGUDR-SECBINFHSA-N -1 1 308.367 0.641 20 0 DCADMM O=S1(=O)CCCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000826497005 609589748 /nfs/dbraw/zinc/58/97/48/609589748.db2.gz QRYRTSMSQXGUDR-SECBINFHSA-N -1 1 308.367 0.641 20 0 DCADMM CC(=O)N[C@H]1C[C@@H](CNC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000978818397 660609058 /nfs/dbraw/zinc/60/90/58/660609058.db2.gz AEQXUWQLONEOPZ-JGZJWPJOSA-N -1 1 304.350 0.704 20 0 DCADMM Cc1nonc1CN1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027843536 660826793 /nfs/dbraw/zinc/82/67/93/660826793.db2.gz BYPKUYMSQJSVNT-LLVKDONJSA-N -1 1 317.349 0.873 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)C2CC(C)(C)C2)nc1=O ZINC001027862857 660855186 /nfs/dbraw/zinc/85/51/86/660855186.db2.gz YHKQLPQTJXULAO-LBPRGKRZSA-N -1 1 321.425 0.625 20 0 DCADMM Cc1occc1C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000980679219 660981848 /nfs/dbraw/zinc/98/18/48/660981848.db2.gz GSMRQSQOXPQZJQ-UHFFFAOYSA-N -1 1 319.365 0.358 20 0 DCADMM Cn1nncc1CN1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000981026851 661067269 /nfs/dbraw/zinc/06/72/69/661067269.db2.gz NMEUUJYQTKMQQB-UHFFFAOYSA-N -1 1 316.365 0.264 20 0 DCADMM CO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@@H]1CCCO1)CCO2 ZINC000921316150 665293284 /nfs/dbraw/zinc/29/32/84/665293284.db2.gz XNWXDIDWKGITRD-XQQFMLRXSA-N -1 1 305.396 0.771 20 0 DCADMM CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)CCn1cccn1 ZINC000921377125 665298415 /nfs/dbraw/zinc/29/84/15/665298415.db2.gz LTAPWUYBQQNVFU-SNVBAGLBSA-N -1 1 321.424 0.097 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)C2CC3(CC3)C2)nc1=O ZINC001028127092 661224348 /nfs/dbraw/zinc/22/43/48/661224348.db2.gz DLYUPAYIVLKDQQ-LBPRGKRZSA-N -1 1 319.409 0.379 20 0 DCADMM Cc1cc(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)ccn1 ZINC000998206591 665415120 /nfs/dbraw/zinc/41/51/20/665415120.db2.gz DYGQXJKRGYPWGX-UHFFFAOYSA-N -1 1 312.329 0.745 20 0 DCADMM CNC(=O)C1CCC(NC(=O)NN=c2nc(OC)cc[n-]2)CC1 ZINC000068886546 665450086 /nfs/dbraw/zinc/45/00/86/665450086.db2.gz NJWCRIFQJARIGI-UHFFFAOYSA-N -1 1 322.369 0.416 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1=NCCS1 ZINC000170900966 665469155 /nfs/dbraw/zinc/46/91/55/665469155.db2.gz HOXZDIQVDLSDKJ-UHFFFAOYSA-N -1 1 305.363 0.401 20 0 DCADMM C[C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000939068002 665482062 /nfs/dbraw/zinc/48/20/62/665482062.db2.gz KBRAIQJHOOHZOS-GHMZBOCLSA-N -1 1 305.382 0.803 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[C@@H]2OC)o1 ZINC000889354676 657561745 /nfs/dbraw/zinc/56/17/45/657561745.db2.gz AKTNHZXJRPJHFI-BDAKNGLRSA-N -1 1 302.352 0.437 20 0 DCADMM COCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001039181297 657568318 /nfs/dbraw/zinc/56/83/18/657568318.db2.gz UIINEKMLTIITSD-VXGBXAGGSA-N -1 1 323.397 0.360 20 0 DCADMM COCCNC(=O)C1CCN(c2cc(=O)[n-]c(COC)n2)CC1 ZINC000891684049 657637634 /nfs/dbraw/zinc/63/76/34/657637634.db2.gz FDJNIQMXJAILEQ-UHFFFAOYSA-N -1 1 324.381 0.308 20 0 DCADMM Cc1ccoc1C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969284160 657658686 /nfs/dbraw/zinc/65/86/86/657658686.db2.gz CQAXANZZRRSQTC-JTQLQIEISA-N -1 1 319.365 0.260 20 0 DCADMM CC(C)(C)C(=O)C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001010730835 657757113 /nfs/dbraw/zinc/75/71/13/657757113.db2.gz GIESLLXLXCHYFN-UHFFFAOYSA-N -1 1 319.361 0.687 20 0 DCADMM O=C(c1cnsn1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001010480973 657783872 /nfs/dbraw/zinc/78/38/72/657783872.db2.gz GSISEJGFZPNXFR-UHFFFAOYSA-N -1 1 319.346 0.237 20 0 DCADMM Cc1ccc(CC(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000970725416 657834763 /nfs/dbraw/zinc/83/47/63/657834763.db2.gz DGBNXFFKJNGNDA-GFCCVEGCSA-N -1 1 316.365 0.147 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]3[C@@H](CCCN3C(=O)C3CC3)C2)nc1=O ZINC001021489764 657896675 /nfs/dbraw/zinc/89/66/75/657896675.db2.gz JGOSIEOJYROETG-QWHCGFSZSA-N -1 1 319.409 0.331 20 0 DCADMM CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023490929 657925013 /nfs/dbraw/zinc/92/50/13/657925013.db2.gz SOJPZGBMQMXCHK-MWLCHTKSSA-N -1 1 307.350 0.135 20 0 DCADMM CC(C)c1cc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)no1 ZINC000969497571 657933949 /nfs/dbraw/zinc/93/39/49/657933949.db2.gz BYFLCTUCYISGOV-SECBINFHSA-N -1 1 320.353 0.626 20 0 DCADMM Cc1nnc(CN2CC([C@@H](C)NC(=O)c3ncccc3[O-])C2)[nH]1 ZINC000969543463 657970107 /nfs/dbraw/zinc/97/01/07/657970107.db2.gz OPHDEHCXWCBKKA-SECBINFHSA-N -1 1 316.365 0.464 20 0 DCADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970838255 657970524 /nfs/dbraw/zinc/97/05/24/657970524.db2.gz VFHMJNAOHDMSHA-HBNJOMJRSA-N -1 1 317.393 0.493 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000971972778 658113996 /nfs/dbraw/zinc/11/39/96/658113996.db2.gz UBQUWWDPCAAFIW-BFQNTYOBSA-N -1 1 319.409 0.331 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000970996356 658162504 /nfs/dbraw/zinc/16/25/04/658162504.db2.gz IJKCSGDYAORJRQ-CYBMUJFWSA-N -1 1 321.425 0.721 20 0 DCADMM CCS(=O)(=O)CCN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934272256 658263869 /nfs/dbraw/zinc/26/38/69/658263869.db2.gz FWSITFSZUNFVGB-SNVBAGLBSA-N -1 1 315.395 0.762 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC000972096339 658293983 /nfs/dbraw/zinc/29/39/83/658293983.db2.gz ANNKWXKLBGSUBG-NSHDSACASA-N -1 1 307.398 0.331 20 0 DCADMM CC(C)[C@H](F)C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1 ZINC000972123041 658334884 /nfs/dbraw/zinc/33/48/84/658334884.db2.gz WCOURZRMBWNQTB-JQWIXIFHSA-N -1 1 313.377 0.135 20 0 DCADMM Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(F)cc3)C2)nc1=O ZINC001021777838 658407597 /nfs/dbraw/zinc/40/75/97/658407597.db2.gz VRBLNFKKGNJZNP-TXEJJXNPSA-N -1 1 319.340 0.298 20 0 DCADMM Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC34CCC4)C2)nc1=O ZINC001022781969 658537665 /nfs/dbraw/zinc/53/76/65/658537665.db2.gz YIWNDWGSPMWILD-OUAUKWLOSA-N -1 1 305.382 0.035 20 0 DCADMM Cn1[n-]c(CN2CCCC[C@@H]2CNC(=O)c2cc[nH]c2)nc1=O ZINC001024452978 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C[C@@H](CCNCc1cscn1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001568652263 1160724641 /nfs/dbraw/zinc/72/46/41/1160724641.db2.gz IMQQIJHZFZFCHO-ZETCQYMHSA-N -1 1 324.366 0.038 20 0 DCADMM C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)CC1=CCCCC1 ZINC001569108195 1160945763 /nfs/dbraw/zinc/94/57/63/1160945763.db2.gz FFNHHYHNRZFYHG-GFCCVEGCSA-N -1 1 321.425 0.935 20 0 DCADMM COCC[C@H](NC(=O)c1c(C)[nH]c(=O)[n-]c1=S)C(=O)OC ZINC001570052691 1161395247 /nfs/dbraw/zinc/39/52/47/1161395247.db2.gz FGCZUYOYVKLMLR-ZETCQYMHSA-N -1 1 315.351 0.087 20 0 DCADMM CC(C)C[C@](C)(CNC(=O)[C@@H]1CN2CCN1C[C@@H]2C)C(=O)[O-] ZINC001573490455 1163449405 /nfs/dbraw/zinc/44/94/05/1163449405.db2.gz CHIWCWVICPSFFO-HEHGZKQESA-N -1 1 311.426 0.628 20 0 DCADMM CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001573525429 1163460118 /nfs/dbraw/zinc/46/01/18/1163460118.db2.gz ZXYZJUNCSXYYRO-SECBINFHSA-N -1 1 316.383 0.211 20 0 DCADMM C[C@@H](NC1CCN(c2cnccn2)CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573574155 1163506596 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DCADMM CC(C)(F)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573913550 1163582336 /nfs/dbraw/zinc/58/23/36/1163582336.db2.gz VEEZHEWFQAABFH-QMMMGPOBSA-N -1 1 320.332 0.100 20 0 DCADMM CC(C)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573946966 1163596041 /nfs/dbraw/zinc/59/60/41/1163596041.db2.gz PNXZNHCDVIUKSK-VIFPVBQESA-N -1 1 304.358 0.572 20 0 DCADMM CC(C)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573946966 1163596049 /nfs/dbraw/zinc/59/60/49/1163596049.db2.gz PNXZNHCDVIUKSK-VIFPVBQESA-N -1 1 304.358 0.572 20 0 DCADMM COC1(C[C@H](NC(=O)CCN2CC[C@@H](F)C2)C(=O)[O-])CCC1 ZINC001573954723 1163599597 /nfs/dbraw/zinc/59/95/97/1163599597.db2.gz RIDXCIPHACPOGP-NEPJUHHUSA-N -1 1 316.373 0.949 20 0 DCADMM CC(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573957988 1163603986 /nfs/dbraw/zinc/60/39/86/1163603986.db2.gz MBFGSWQADQTESV-JTQLQIEISA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573957988 1163603993 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CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]2COC[C@@H]21 ZINC001575709920 1164114030 /nfs/dbraw/zinc/11/40/30/1164114030.db2.gz PJTFYFAUASWZAZ-CMPLNLGQSA-N -1 1 314.349 0.759 20 0 DCADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]2COC[C@@H]21 ZINC001575709920 1164114032 /nfs/dbraw/zinc/11/40/32/1164114032.db2.gz PJTFYFAUASWZAZ-CMPLNLGQSA-N -1 1 314.349 0.759 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CC(C)C1 ZINC001575965080 1164196548 /nfs/dbraw/zinc/19/65/48/1164196548.db2.gz IWJQDGAMLZZBSZ-KYHHOPLUSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1=O ZINC001576095653 1164238814 /nfs/dbraw/zinc/23/88/14/1164238814.db2.gz LLIVKHFTQAJEBG-VGMNWLOBSA-N -1 1 316.321 0.199 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1=O ZINC001576095653 1164238820 /nfs/dbraw/zinc/23/88/20/1164238820.db2.gz LLIVKHFTQAJEBG-VGMNWLOBSA-N -1 1 316.321 0.199 20 0 DCADMM CCC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576415461 1164333720 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CCC(=O)N[C@@H]1CC[C@@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576441236 1164345198 /nfs/dbraw/zinc/34/51/98/1164345198.db2.gz VPJHVKMSLGLWGP-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576441236 1164345206 /nfs/dbraw/zinc/34/52/06/1164345206.db2.gz VPJHVKMSLGLWGP-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576445268 1164348426 /nfs/dbraw/zinc/34/84/26/1164348426.db2.gz QIBKKMWQBWSZBJ-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576445268 1164348432 /nfs/dbraw/zinc/34/84/32/1164348432.db2.gz QIBKKMWQBWSZBJ-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(C)(C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576515271 1164374839 /nfs/dbraw/zinc/37/48/39/1164374839.db2.gz CSCXLRACSRUPLX-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCC(C)(C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576515271 1164374844 /nfs/dbraw/zinc/37/48/44/1164374844.db2.gz CSCXLRACSRUPLX-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)C(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576559890 1164390523 /nfs/dbraw/zinc/39/05/23/1164390523.db2.gz DPMKDJRLBGKBGU-VHSXEESVSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576559890 1164390526 /nfs/dbraw/zinc/39/05/26/1164390526.db2.gz DPMKDJRLBGKBGU-VHSXEESVSA-N -1 1 318.385 0.962 20 0 DCADMM CC/C(C)=C\C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576558774 1164391034 /nfs/dbraw/zinc/39/10/34/1164391034.db2.gz YWXCGLWCWJMZRR-KTKRTIGZSA-N -1 1 316.369 0.305 20 0 DCADMM CC[C@@H](C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576563936 1164392629 /nfs/dbraw/zinc/39/26/29/1164392629.db2.gz OUNXFYVOQAHJRG-NXEZZACHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576563936 1164392636 /nfs/dbraw/zinc/39/26/36/1164392636.db2.gz OUNXFYVOQAHJRG-NXEZZACHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576573872 1164399937 /nfs/dbraw/zinc/39/99/37/1164399937.db2.gz UEWNOXRFHXIVTG-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576573872 1164399943 /nfs/dbraw/zinc/39/99/43/1164399943.db2.gz UEWNOXRFHXIVTG-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576576995 1164401829 /nfs/dbraw/zinc/40/18/29/1164401829.db2.gz QRONUUOALLCRBT-VHSXEESVSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576576995 1164401835 /nfs/dbraw/zinc/40/18/35/1164401835.db2.gz QRONUUOALLCRBT-VHSXEESVSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576577346 1164402722 /nfs/dbraw/zinc/40/27/22/1164402722.db2.gz XBVWDDPVXCBPFS-ZJUUUORDSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576580938 1164404801 /nfs/dbraw/zinc/40/48/01/1164404801.db2.gz HEIFRZAGQKJLSE-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](C)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576580938 1164404807 /nfs/dbraw/zinc/40/48/07/1164404807.db2.gz HEIFRZAGQKJLSE-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576596035 1164408596 /nfs/dbraw/zinc/40/85/96/1164408596.db2.gz MUSAYKINYPOZDC-UWVGGRQHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576596035 1164408597 /nfs/dbraw/zinc/40/85/97/1164408597.db2.gz MUSAYKINYPOZDC-UWVGGRQHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)CC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576614362 1164414844 /nfs/dbraw/zinc/41/48/44/1164414844.db2.gz FZDNJTXVPBWQFX-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)CC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576614362 1164414849 /nfs/dbraw/zinc/41/48/49/1164414849.db2.gz FZDNJTXVPBWQFX-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)CC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576629306 1164419016 /nfs/dbraw/zinc/41/90/16/1164419016.db2.gz HPFCCMHRUAYSMP-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)CC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576629306 1164419019 /nfs/dbraw/zinc/41/90/19/1164419019.db2.gz HPFCCMHRUAYSMP-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](CC)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576778649 1164462041 /nfs/dbraw/zinc/46/20/41/1164462041.db2.gz VYKOGNLWVPRZPD-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](CC)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576778649 1164462044 /nfs/dbraw/zinc/46/20/44/1164462044.db2.gz VYKOGNLWVPRZPD-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](CNC(=O)CC1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576804424 1164470439 /nfs/dbraw/zinc/47/04/39/1164470439.db2.gz SEZOUCUQMIBBIC-JTQLQIEISA-N -1 1 316.369 0.185 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576926544 1164538750 /nfs/dbraw/zinc/53/87/50/1164538750.db2.gz RPCOOLBFCJCZOS-RKDXNWHRSA-N -1 1 322.348 0.086 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576941034 1164547937 /nfs/dbraw/zinc/54/79/37/1164547937.db2.gz NDSGZUMHECHPNL-DTWKUNHWSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576941034 1164547950 /nfs/dbraw/zinc/54/79/50/1164547950.db2.gz NDSGZUMHECHPNL-DTWKUNHWSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576954878 1164553722 /nfs/dbraw/zinc/55/37/22/1164553722.db2.gz VRCJUBIPHYOIDH-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576954878 1164553729 /nfs/dbraw/zinc/55/37/29/1164553729.db2.gz VRCJUBIPHYOIDH-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NCCN(CC)c1nccnc1-c1nnn[n-]1 ZINC001576956055 1164556165 /nfs/dbraw/zinc/55/61/65/1164556165.db2.gz DSEKYTHSAWMJPI-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM CC[C@@H](F)C(=O)NCCN(CC)c1nccnc1-c1nn[n-]n1 ZINC001576956055 1164556167 /nfs/dbraw/zinc/55/61/67/1164556167.db2.gz DSEKYTHSAWMJPI-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001576956659 1164556372 /nfs/dbraw/zinc/55/63/72/1164556372.db2.gz OGYSZEZKLIYXIX-DTWKUNHWSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001576956659 1164556376 /nfs/dbraw/zinc/55/63/76/1164556376.db2.gz OGYSZEZKLIYXIX-DTWKUNHWSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H]1CN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C[C@@H]1O ZINC001577170059 1164619582 /nfs/dbraw/zinc/61/95/82/1164619582.db2.gz UJVGBYPNAOCIDB-SCZZXKLOSA-N -1 1 318.337 0.119 20 0 DCADMM CCCC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577185076 1164625738 /nfs/dbraw/zinc/62/57/38/1164625738.db2.gz RAGAHWPKHAQAEU-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577185076 1164625743 /nfs/dbraw/zinc/62/57/43/1164625743.db2.gz RAGAHWPKHAQAEU-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001577194726 1164629508 /nfs/dbraw/zinc/62/95/08/1164629508.db2.gz NSMLDXMJYGOZHB-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001577194726 1164629512 /nfs/dbraw/zinc/62/95/12/1164629512.db2.gz NSMLDXMJYGOZHB-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001577202291 1164633407 /nfs/dbraw/zinc/63/34/07/1164633407.db2.gz DFDFCMULMMWGJL-SNVBAGLBSA-N -1 1 316.369 0.185 20 0 DCADMM CCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001577213722 1164635954 /nfs/dbraw/zinc/63/59/54/1164635954.db2.gz LVNDINSRGDHWCR-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001577213722 1164635960 /nfs/dbraw/zinc/63/59/60/1164635960.db2.gz LVNDINSRGDHWCR-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCCC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001577216216 1164638892 /nfs/dbraw/zinc/63/88/92/1164638892.db2.gz PQECDQADZTXNSW-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001577216216 1164638895 /nfs/dbraw/zinc/63/88/95/1164638895.db2.gz PQECDQADZTXNSW-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC[C@H](C)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577279111 1164658957 /nfs/dbraw/zinc/65/89/57/1164658957.db2.gz YIWFDAKJVHHGIR-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CCCCC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577417986 1164687766 /nfs/dbraw/zinc/68/77/66/1164687766.db2.gz YUAHEYNTTDPLLO-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCN(CCNC(C)=O)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001577659167 1164755409 /nfs/dbraw/zinc/75/54/09/1164755409.db2.gz CZUSBRMPOFUWAF-UHFFFAOYSA-N -1 1 318.385 0.572 20 0 DCADMM CCCN(CCNC(C)=O)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001577659167 1164755416 /nfs/dbraw/zinc/75/54/16/1164755416.db2.gz CZUSBRMPOFUWAF-UHFFFAOYSA-N -1 1 318.385 0.572 20 0 DCADMM CCN(CC(C)(C)O)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577874026 1164820408 /nfs/dbraw/zinc/82/04/08/1164820408.db2.gz GSAUOCDLMQJYLQ-UHFFFAOYSA-N -1 1 320.353 0.509 20 0 DCADMM CCOC(=O)[C@H](N)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001577921981 1164842201 /nfs/dbraw/zinc/84/22/01/1164842201.db2.gz SWQIXDZMQIURGS-GFCCVEGCSA-N -1 1 304.306 0.407 20 0 DCADMM CCN(CCNC(=O)C1CCC1)c1cncc(-c2nnn[n-]2)n1 ZINC001577946766 1164856252 /nfs/dbraw/zinc/85/62/52/1164856252.db2.gz NCZSTACGBJVUJE-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)C1CCC1)c1cncc(-c2nn[n-]n2)n1 ZINC001577946766 1164856261 /nfs/dbraw/zinc/85/62/61/1164856261.db2.gz NCZSTACGBJVUJE-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM O=C(Cn1c(=O)[n-][nH]c1=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC001577968269 1164869589 /nfs/dbraw/zinc/86/95/89/1164869589.db2.gz XRHMQCOQBWITOF-UHFFFAOYSA-N -1 1 301.266 0.113 20 0 DCADMM CCN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)[C@H]1C[C@H]1C ZINC001578124267 1164929310 /nfs/dbraw/zinc/92/93/10/1164929310.db2.gz VRAYSHXYNAIAKY-ZJUUUORDSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)[C@H]1C[C@H]1C ZINC001578124267 1164929317 /nfs/dbraw/zinc/92/93/17/1164929317.db2.gz VRAYSHXYNAIAKY-ZJUUUORDSA-N -1 1 316.369 0.573 20 0 DCADMM CCOC(=O)c1cc(Nc2ccnc(-c3nnn[n-]3)c2)cn1C ZINC001578253327 1164964407 /nfs/dbraw/zinc/96/44/07/1164964407.db2.gz QOVDRBKBBXTEJT-UHFFFAOYSA-N -1 1 313.321 0.942 20 0 DCADMM CCOC(=O)c1cc(Nc2ccnc(-c3nn[n-]n3)c2)cn1C ZINC001578253327 1164964414 /nfs/dbraw/zinc/96/44/14/1164964414.db2.gz QOVDRBKBBXTEJT-UHFFFAOYSA-N -1 1 313.321 0.942 20 0 DCADMM CCOC(=O)c1cnn(CC(=O)c2ccoc2)c1-c1nn[n-]n1 ZINC001578254438 1164965223 /nfs/dbraw/zinc/96/52/23/1164965223.db2.gz PIIYNGAKQSCVSI-UHFFFAOYSA-N -1 1 316.277 0.716 20 0 DCADMM CCOc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC001578396880 1164997800 /nfs/dbraw/zinc/99/78/00/1164997800.db2.gz OEYDKEOANAIRSZ-UHFFFAOYSA-N -1 1 314.309 0.646 20 0 DCADMM CCOc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC001578396880 1164997806 /nfs/dbraw/zinc/99/78/06/1164997806.db2.gz OEYDKEOANAIRSZ-UHFFFAOYSA-N -1 1 314.309 0.646 20 0 DCADMM CCOc1cncc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001578405210 1165002114 /nfs/dbraw/zinc/00/21/14/1165002114.db2.gz BKTSMIKSCKRVLM-UHFFFAOYSA-N -1 1 312.293 0.703 20 0 DCADMM CCOc1cncc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001578405210 1165002119 /nfs/dbraw/zinc/00/21/19/1165002119.db2.gz BKTSMIKSCKRVLM-UHFFFAOYSA-N -1 1 312.293 0.703 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001578435966 1165014921 /nfs/dbraw/zinc/01/49/21/1165014921.db2.gz WTDWLKDGBXWCMQ-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001578435966 1165014932 /nfs/dbraw/zinc/01/49/32/1165014932.db2.gz WTDWLKDGBXWCMQ-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001578434159 1165015359 /nfs/dbraw/zinc/01/53/59/1165015359.db2.gz GCCCEAZXRAOPLW-OPRDCNLKSA-N -1 1 316.369 0.041 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C2CCS(=O)CC2)n1 ZINC001578567116 1165063438 /nfs/dbraw/zinc/06/34/38/1165063438.db2.gz YEHBHMYTRUETMF-UHFFFAOYSA-N -1 1 321.410 0.566 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C2CCS(=O)CC2)n1 ZINC001578567116 1165063444 /nfs/dbraw/zinc/06/34/44/1165063444.db2.gz YEHBHMYTRUETMF-UHFFFAOYSA-N -1 1 321.410 0.566 20 0 DCADMM CCn1ccc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001578775101 1165104211 /nfs/dbraw/zinc/10/42/11/1165104211.db2.gz NHENKZNRQOOHSO-UHFFFAOYSA-N -1 1 313.325 0.800 20 0 DCADMM CCn1ccc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001578775101 1165104214 /nfs/dbraw/zinc/10/42/14/1165104214.db2.gz NHENKZNRQOOHSO-UHFFFAOYSA-N -1 1 313.325 0.800 20 0 DCADMM CN(C[C@@H](O)c1cccnc1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579064049 1165197485 /nfs/dbraw/zinc/19/74/85/1165197485.db2.gz TTWWAUPQIXBWDU-LLVKDONJSA-N -1 1 314.305 0.660 20 0 DCADMM CN(C[C@@H](O)c1cccnc1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579064049 1165197489 /nfs/dbraw/zinc/19/74/89/1165197489.db2.gz TTWWAUPQIXBWDU-LLVKDONJSA-N -1 1 314.305 0.660 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CC12CC2 ZINC001579128225 1165216733 /nfs/dbraw/zinc/21/67/33/1165216733.db2.gz IWBOAKUWZXRVPW-QMMMGPOBSA-N -1 1 316.369 0.363 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CC12CC2 ZINC001579128225 1165216740 /nfs/dbraw/zinc/21/67/40/1165216740.db2.gz IWBOAKUWZXRVPW-QMMMGPOBSA-N -1 1 316.369 0.363 20 0 DCADMM CN(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)CC1CC1 ZINC001579152431 1165225276 /nfs/dbraw/zinc/22/52/76/1165225276.db2.gz PKQTXCJEBPSDMW-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)CC1CC1 ZINC001579152431 1165225285 /nfs/dbraw/zinc/22/52/85/1165225285.db2.gz PKQTXCJEBPSDMW-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)[C@H]1CC12CC2 ZINC001579211190 1165237943 /nfs/dbraw/zinc/23/79/43/1165237943.db2.gz RGDVPTVOVZYQKZ-SECBINFHSA-N -1 1 314.353 0.327 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)[C@H]1CC12CC2 ZINC001579211190 1165237947 /nfs/dbraw/zinc/23/79/47/1165237947.db2.gz RGDVPTVOVZYQKZ-SECBINFHSA-N -1 1 314.353 0.327 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)[C@H]1CC1(C)C ZINC001579219191 1165242137 /nfs/dbraw/zinc/24/21/37/1165242137.db2.gz QOZFLPXWKBSSMM-SECBINFHSA-N -1 1 316.369 0.573 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)[C@H]1CC1(C)C ZINC001579219191 1165242144 /nfs/dbraw/zinc/24/21/44/1165242144.db2.gz QOZFLPXWKBSSMM-SECBINFHSA-N -1 1 316.369 0.573 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)c1ccco1 ZINC001579219911 1165242352 /nfs/dbraw/zinc/24/23/52/1165242352.db2.gz AWTNZXNNDUKUHQ-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)c1ccco1 ZINC001579219911 1165242361 /nfs/dbraw/zinc/24/23/61/1165242361.db2.gz AWTNZXNNDUKUHQ-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM CN1C(=O)CC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001579303719 1165265958 /nfs/dbraw/zinc/26/59/58/1165265958.db2.gz MMOQFWXBHSXRCS-SSDOTTSWSA-N -1 1 316.325 0.027 20 0 DCADMM CNC(=O)C[C@@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579388507 1165294966 /nfs/dbraw/zinc/29/49/66/1165294966.db2.gz DGRWDIQVTAUVNW-SSDOTTSWSA-N -1 1 323.382 0.252 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H](C)O1 ZINC001579469908 1165320943 /nfs/dbraw/zinc/32/09/43/1165320943.db2.gz BYCSOGUKUKTACB-WPRPVWTQSA-N -1 1 323.378 0.691 20 0 DCADMM COC(=O)c1ccc(=O)n(Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001579485250 1165329000 /nfs/dbraw/zinc/32/90/00/1165329000.db2.gz TXXCMLVORRHTPL-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM COC(=O)c1oc(Cn2ccc(-c3nn[n-]n3)cc2=O)cc1C ZINC001579493063 1165332814 /nfs/dbraw/zinc/33/28/14/1165332814.db2.gz HZDSBGRHHCFQJC-UHFFFAOYSA-N -1 1 315.289 0.765 20 0 DCADMM CO[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001579867957 1165415846 /nfs/dbraw/zinc/41/58/46/1165415846.db2.gz GEOCAIBKGQJEMZ-QMMMGPOBSA-N -1 1 308.367 0.859 20 0 DCADMM COc1cc(=O)[nH]cc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001579889025 1165425503 /nfs/dbraw/zinc/42/55/03/1165425503.db2.gz ZMMQZHSEGXKKSY-UHFFFAOYSA-N -1 1 316.281 0.260 20 0 DCADMM COc1cc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)ccn1 ZINC001579913079 1165433834 /nfs/dbraw/zinc/43/38/34/1165433834.db2.gz CTISVTCHCQVASL-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1cc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)ccn1 ZINC001579913079 1165433839 /nfs/dbraw/zinc/43/38/39/1165433839.db2.gz CTISVTCHCQVASL-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(N)c1F ZINC001579988533 1165462800 /nfs/dbraw/zinc/46/28/00/1165462800.db2.gz LKFSQQKTSLYMEI-UHFFFAOYSA-N -1 1 318.272 0.572 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(N)c1F ZINC001579988533 1165462806 /nfs/dbraw/zinc/46/28/06/1165462806.db2.gz LKFSQQKTSLYMEI-UHFFFAOYSA-N -1 1 318.272 0.572 20 0 DCADMM COc1ccnc(N(C)C(=O)c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001580095235 1165501864 /nfs/dbraw/zinc/50/18/64/1165501864.db2.gz PIOXDDCUPLHBMU-UHFFFAOYSA-N -1 1 315.293 0.843 20 0 DCADMM COc1ccnc(N(C)C(=O)c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001580095235 1165501868 /nfs/dbraw/zinc/50/18/68/1165501868.db2.gz PIOXDDCUPLHBMU-UHFFFAOYSA-N -1 1 315.293 0.843 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001580188131 1165532413 /nfs/dbraw/zinc/53/24/13/1165532413.db2.gz QTDBYRUKMPITOB-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001580188131 1165532419 /nfs/dbraw/zinc/53/24/19/1165532419.db2.gz QTDBYRUKMPITOB-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM CSCC[C@H](O)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001580225063 1165541581 /nfs/dbraw/zinc/54/15/81/1165541581.db2.gz QGQJXIMHXBLERK-ZETCQYMHSA-N -1 1 323.382 0.520 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)NC2CC(=O)C2)cc1-c1nn[n-]n1 ZINC001580230521 1165543152 /nfs/dbraw/zinc/54/31/52/1165543152.db2.gz BGOVZGLWMIXKRN-UHFFFAOYSA-N -1 1 320.334 0.151 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc[nH]1 ZINC001580285257 1165558466 /nfs/dbraw/zinc/55/84/66/1165558466.db2.gz NNROBCLSKDYXNF-QMMMGPOBSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc[nH]1 ZINC001580285257 1165558470 /nfs/dbraw/zinc/55/84/70/1165558470.db2.gz NNROBCLSKDYXNF-QMMMGPOBSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CC1(C)C ZINC001580295457 1165561213 /nfs/dbraw/zinc/56/12/13/1165561213.db2.gz MUPXNMLLHOQQAJ-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CC1(C)C ZINC001580295457 1165561219 /nfs/dbraw/zinc/56/12/19/1165561219.db2.gz MUPXNMLLHOQQAJ-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001580367045 1165586555 /nfs/dbraw/zinc/58/65/55/1165586555.db2.gz ZCZIOJUXNWEMSN-OPRDCNLKSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001580367045 1165586562 /nfs/dbraw/zinc/58/65/62/1165586562.db2.gz ZCZIOJUXNWEMSN-OPRDCNLKSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccccc1 ZINC001580420060 1165597461 /nfs/dbraw/zinc/59/74/61/1165597461.db2.gz UUAMXKZVTLLJCR-SNVBAGLBSA-N -1 1 324.348 0.887 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccccc1 ZINC001580420060 1165597468 /nfs/dbraw/zinc/59/74/68/1165597468.db2.gz UUAMXKZVTLLJCR-SNVBAGLBSA-N -1 1 324.348 0.887 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc3nccn3c2)nn1C ZINC001580523698 1165629336 /nfs/dbraw/zinc/62/93/36/1165629336.db2.gz JXNDPZWNIHRLHX-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1c(-c2nnn[n-]2)nn(-c2cccnc2)c1NC(=O)C(F)F ZINC001580526215 1165630542 /nfs/dbraw/zinc/63/05/42/1165630542.db2.gz LZPTZYPICLEDLT-UHFFFAOYSA-N -1 1 320.263 0.959 20 0 DCADMM Cc1c(-c2nn[n-]n2)nn(-c2cccnc2)c1NC(=O)C(F)F ZINC001580526215 1165630544 /nfs/dbraw/zinc/63/05/44/1165630544.db2.gz LZPTZYPICLEDLT-UHFFFAOYSA-N -1 1 320.263 0.959 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCc1ccon1 ZINC001580605698 1165654950 /nfs/dbraw/zinc/65/49/50/1165654950.db2.gz FEHIWLYRWUPEPE-UHFFFAOYSA-N -1 1 315.293 0.236 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2Cc3ccccc3NC2=O)n1 ZINC001580719314 1165698260 /nfs/dbraw/zinc/69/82/60/1165698260.db2.gz ZTOMOUWIUSWDTN-LBPRGKRZSA-N -1 1 322.332 0.940 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2Cc3ccccc3NC2=O)n1 ZINC001580719314 1165698265 /nfs/dbraw/zinc/69/82/65/1165698265.db2.gz ZTOMOUWIUSWDTN-LBPRGKRZSA-N -1 1 322.332 0.940 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)NC(=O)CC(C)C)n1 ZINC001580750744 1165708663 /nfs/dbraw/zinc/70/86/63/1165708663.db2.gz ZTGGCMMDJGLVKE-JTQLQIEISA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)NC(=O)CC(C)C)n1 ZINC001580750744 1165708668 /nfs/dbraw/zinc/70/86/68/1165708668.db2.gz ZTGGCMMDJGLVKE-JTQLQIEISA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cccn2cc(Cn3cnc(-c4nn[n-]n4)cc3=O)nc12 ZINC001581261428 1165806329 /nfs/dbraw/zinc/80/63/29/1165806329.db2.gz GDHAPZNSYAFFLH-UHFFFAOYSA-N -1 1 308.305 0.428 20 0 DCADMM Cc1csc(Sc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)n1 ZINC001581387664 1165820312 /nfs/dbraw/zinc/82/03/12/1165820312.db2.gz YPSCERNKDRRTEB-UHFFFAOYSA-N -1 1 323.363 0.170 20 0 DCADMM Cc1nc(N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001581494875 1165835432 /nfs/dbraw/zinc/83/54/32/1165835432.db2.gz CWPHOHKCAYRMIY-MWLCHTKSSA-N -1 1 321.385 0.535 20 0 DCADMM Cc1nc(N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001581494875 1165835437 /nfs/dbraw/zinc/83/54/37/1165835437.db2.gz CWPHOHKCAYRMIY-MWLCHTKSSA-N -1 1 321.385 0.535 20 0 DCADMM Cc1nc(N[C@@H](Cc2ccccc2)C(N)=O)cc(-c2nnn[n-]2)n1 ZINC001581497311 1165835571 /nfs/dbraw/zinc/83/55/71/1165835571.db2.gz UENLLPHKWGJERY-NSHDSACASA-N -1 1 324.348 0.474 20 0 DCADMM Cc1nc(N[C@@H](Cc2ccccc2)C(N)=O)cc(-c2nn[n-]n2)n1 ZINC001581497311 1165835575 /nfs/dbraw/zinc/83/55/75/1165835575.db2.gz UENLLPHKWGJERY-NSHDSACASA-N -1 1 324.348 0.474 20 0 DCADMM Cc1ncccc1CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581559903 1165842548 /nfs/dbraw/zinc/84/25/48/1165842548.db2.gz JRALQHVUILBDDW-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1ncccc1CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581559903 1165842554 /nfs/dbraw/zinc/84/25/54/1165842554.db2.gz JRALQHVUILBDDW-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1nocc1CNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001581644208 1165855328 /nfs/dbraw/zinc/85/53/28/1165855328.db2.gz ZHJOOFRBEVUNCB-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1nsc(N2CC[C@@H](NC(=O)C(C)C)C2)c1-c1nn[n-]n1 ZINC001581670186 1165858580 /nfs/dbraw/zinc/85/85/80/1165858580.db2.gz WZIZGGKVTWVSEG-SECBINFHSA-N -1 1 321.410 0.983 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](CO)[C@@H]1CCCOC1 ZINC001581727158 1165861462 /nfs/dbraw/zinc/86/14/62/1165861462.db2.gz LAEPFRRTGCDEIQ-MWLCHTKSSA-N -1 1 321.337 0.285 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](CO)[C@@H]1CCCOC1 ZINC001581727158 1165861468 /nfs/dbraw/zinc/86/14/68/1165861468.db2.gz LAEPFRRTGCDEIQ-MWLCHTKSSA-N -1 1 321.337 0.285 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](CO)[C@H]1CCCOC1 ZINC001581727159 1165862044 /nfs/dbraw/zinc/86/20/44/1165862044.db2.gz LAEPFRRTGCDEIQ-ONGXEEELSA-N -1 1 321.337 0.285 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](CO)[C@H]1CCCOC1 ZINC001581727159 1165862051 /nfs/dbraw/zinc/86/20/51/1165862051.db2.gz LAEPFRRTGCDEIQ-ONGXEEELSA-N -1 1 321.337 0.285 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cccn3nccc23)n1 ZINC001581754777 1165870463 /nfs/dbraw/zinc/87/04/63/1165870463.db2.gz LIZWROFYVKNXJW-UHFFFAOYSA-N -1 1 309.293 0.500 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccn3nccc23)n1 ZINC001581754777 1165870470 /nfs/dbraw/zinc/87/04/70/1165870470.db2.gz LIZWROFYVKNXJW-UHFFFAOYSA-N -1 1 309.293 0.500 20 0 DCADMM NC(=O)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)co1 ZINC001581902371 1165907294 /nfs/dbraw/zinc/90/72/94/1165907294.db2.gz QXJJPQODVNKMCL-UHFFFAOYSA-N -1 1 318.318 0.550 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2[nH]cc(C=O)c2c1 ZINC001581908797 1165909031 /nfs/dbraw/zinc/90/90/31/1165909031.db2.gz CBTGZJKNUPDJHO-UHFFFAOYSA-N -1 1 322.288 0.628 20 0 DCADMM O=C(C1CC1)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001581923431 1165914136 /nfs/dbraw/zinc/91/41/36/1165914136.db2.gz UCQCQNXETNXCHV-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001581923431 1165914143 /nfs/dbraw/zinc/91/41/43/1165914143.db2.gz UCQCQNXETNXCHV-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CCCF)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001582041275 1165942451 /nfs/dbraw/zinc/94/24/51/1165942451.db2.gz BUKNZNMSNFJYKU-SECBINFHSA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CCCF)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001582041275 1165942454 /nfs/dbraw/zinc/94/24/54/1165942454.db2.gz BUKNZNMSNFJYKU-SECBINFHSA-N -1 1 320.332 0.419 20 0 DCADMM O=C(NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001582403907 1166013072 /nfs/dbraw/zinc/01/30/72/1166013072.db2.gz VXMSVWPYQIFNKT-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001582403907 1166013076 /nfs/dbraw/zinc/01/30/76/1166013076.db2.gz VXMSVWPYQIFNKT-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H](O)c1ccccn1 ZINC001582548232 1166040094 /nfs/dbraw/zinc/04/00/94/1166040094.db2.gz KQICGSJGGUMISW-LLVKDONJSA-N -1 1 316.346 0.673 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NCc1cnccn1 ZINC001582558186 1166045285 /nfs/dbraw/zinc/04/52/85/1166045285.db2.gz KUSJQKUAZHRDLM-UHFFFAOYSA-N -1 1 316.350 0.718 20 0 DCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001582589130 1166049331 /nfs/dbraw/zinc/04/93/31/1166049331.db2.gz SRMDGZAKLYFAPX-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001582589130 1166049340 /nfs/dbraw/zinc/04/93/40/1166049340.db2.gz SRMDGZAKLYFAPX-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](c2cnccn2)C1 ZINC001582708455 1166068565 /nfs/dbraw/zinc/06/85/65/1166068565.db2.gz LFIMTIUCDGEGKJ-SNVBAGLBSA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](c2cnccn2)C1 ZINC001582708455 1166068566 /nfs/dbraw/zinc/06/85/66/1166068566.db2.gz LFIMTIUCDGEGKJ-SNVBAGLBSA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1c2ccccc2C[C@@H]1CO ZINC001582708277 1166069125 /nfs/dbraw/zinc/06/91/25/1166069125.db2.gz IWZGWUALWAXOIT-LLVKDONJSA-N -1 1 322.328 0.826 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1c2ccccc2C[C@@H]1CO ZINC001582708277 1166069132 /nfs/dbraw/zinc/06/91/32/1166069132.db2.gz IWZGWUALWAXOIT-LLVKDONJSA-N -1 1 322.328 0.826 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@@H](n2cncn2)C1 ZINC001582745318 1166074319 /nfs/dbraw/zinc/07/43/19/1166074319.db2.gz ZLDGFCNCVZIRLF-SECBINFHSA-N -1 1 316.350 0.607 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CCOc1ccc(F)cc1 ZINC001582806086 1166086663 /nfs/dbraw/zinc/08/66/63/1166086663.db2.gz FFEBDBANDOBJME-UHFFFAOYSA-N -1 1 318.268 0.347 20 0 DCADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC001582809130 1166087964 /nfs/dbraw/zinc/08/79/64/1166087964.db2.gz HRZBCJFAAPZBEZ-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC001582809130 1166087976 /nfs/dbraw/zinc/08/79/76/1166087976.db2.gz HRZBCJFAAPZBEZ-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC[C@@H]1O ZINC001582812063 1166090676 /nfs/dbraw/zinc/09/06/76/1166090676.db2.gz IKGJRFCTPHCMAD-WDSKDSINSA-N -1 1 316.774 0.156 20 0 DCADMM OC[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC[C@@H]1O ZINC001582812063 1166090683 /nfs/dbraw/zinc/09/06/83/1166090683.db2.gz IKGJRFCTPHCMAD-WDSKDSINSA-N -1 1 316.774 0.156 20 0 DCADMM c1sc(CN2CCO[C@@H]3COCC[C@@H]32)nc1-c1nnn[n-]1 ZINC001582820579 1166098370 /nfs/dbraw/zinc/09/83/70/1166098370.db2.gz MATZOKKZNZBKPW-VHSXEESVSA-N -1 1 308.367 0.313 20 0 DCADMM c1sc(CN2CCO[C@@H]3COCC[C@@H]32)nc1-c1nn[n-]n1 ZINC001582820579 1166098376 /nfs/dbraw/zinc/09/83/76/1166098376.db2.gz MATZOKKZNZBKPW-VHSXEESVSA-N -1 1 308.367 0.313 20 0 DCADMM c1coc(-c2nc(CNc3ncncc3-c3nn[n-]n3)no2)c1 ZINC001582819502 1166099207 /nfs/dbraw/zinc/09/92/07/1166099207.db2.gz VKZHTBKWGOAUQJ-UHFFFAOYSA-N -1 1 311.265 0.912 20 0 DCADMM CCCCOCC(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001584092167 1166306930 /nfs/dbraw/zinc/30/69/30/1166306930.db2.gz OXUWJMGJUSSQGU-NSHDSACASA-N -1 1 309.366 0.838 20 0 DCADMM CSCC[C@H](NC(=O)c1cc(C=O)cn1C)c1nn[n-]n1 ZINC001585197114 1166409953 /nfs/dbraw/zinc/40/99/53/1166409953.db2.gz PQYZBXUUFYIAIZ-VIFPVBQESA-N -1 1 308.367 0.575 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@]1(C)CCNC1=O ZINC001585869573 1166463301 /nfs/dbraw/zinc/46/33/01/1166463301.db2.gz KJYPPEJLLPYHOR-HNNXBMFYSA-N -1 1 317.349 0.194 20 0 DCADMM CCc1cc(C(=O)Nc2nc3nc(CC)cc(=O)n3[n-]2)n(C)n1 ZINC001587188701 1166505530 /nfs/dbraw/zinc/50/55/30/1166505530.db2.gz WVWMXRIGMLESPT-UHFFFAOYSA-N -1 1 315.337 0.528 20 0 DCADMM C=C/C=C/CCNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001588530208 1166559614 /nfs/dbraw/zinc/55/96/14/1166559614.db2.gz ITIMTKIFXFWCBW-ONEGZZNKSA-N -1 1 306.351 0.672 20 0 DCADMM C=C/C=C\CCn1c(=O)c(-c2nn[n-]n2)c(C)n(C2CC2)c1=O ZINC001588531094 1166560518 /nfs/dbraw/zinc/56/05/18/1166560518.db2.gz YOKNEWMHVIJJDA-PLNGDYQASA-N -1 1 314.349 0.966 20 0 DCADMM CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588806942 1166592742 /nfs/dbraw/zinc/59/27/42/1166592742.db2.gz OXLYGAIIDGLKBN-PHIMTYICSA-N -1 1 314.353 0.165 20 0 DCADMM CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588806942 1166592745 /nfs/dbraw/zinc/59/27/45/1166592745.db2.gz OXLYGAIIDGLKBN-PHIMTYICSA-N -1 1 314.353 0.165 20 0 DCADMM CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001588810622 1166594904 /nfs/dbraw/zinc/59/49/04/1166594904.db2.gz BCKHHWXGJXIQTM-ONGXEEELSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588810622 1166594910 /nfs/dbraw/zinc/59/49/10/1166594910.db2.gz BCKHHWXGJXIQTM-ONGXEEELSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001588810620 1166595084 /nfs/dbraw/zinc/59/50/84/1166595084.db2.gz BCKHHWXGJXIQTM-KOLCDFICSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588810620 1166595093 /nfs/dbraw/zinc/59/50/93/1166595093.db2.gz BCKHHWXGJXIQTM-KOLCDFICSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001588812993 1166595511 /nfs/dbraw/zinc/59/55/11/1166595511.db2.gz SFHPQVDDUBHBFN-UHFFFAOYSA-N -1 1 304.310 0.200 20 0 DCADMM CC(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001588812993 1166595513 /nfs/dbraw/zinc/59/55/13/1166595513.db2.gz SFHPQVDDUBHBFN-UHFFFAOYSA-N -1 1 304.310 0.200 20 0 DCADMM CC(=O)NC1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001588841518 1166605999 /nfs/dbraw/zinc/60/59/99/1166605999.db2.gz KSZSNRXJCQFSKL-UHFFFAOYSA-N -1 1 301.354 0.675 20 0 DCADMM CC(=O)NC1CCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001588841518 1166606008 /nfs/dbraw/zinc/60/60/08/1166606008.db2.gz KSZSNRXJCQFSKL-UHFFFAOYSA-N -1 1 301.354 0.675 20 0 DCADMM C[C@H](C(=O)N(C)C[Si](C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588942125 1166622567 /nfs/dbraw/zinc/62/25/67/1166622567.db2.gz XYDXMBICCVVKFU-MRVPVSSYSA-N -1 1 308.422 0.355 20 0 DCADMM C[C@H](C(=O)NCc1ccc(O)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588999189 1166626988 /nfs/dbraw/zinc/62/69/88/1166626988.db2.gz YJYACTXNVLJUEN-MRVPVSSYSA-N -1 1 314.309 0.041 20 0 DCADMM C[C@@H](C(=O)OCC(C1CC1)C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589025830 1166629094 /nfs/dbraw/zinc/62/90/94/1166629094.db2.gz FQTSIPJFGNQSFF-QMMMGPOBSA-N -1 1 317.353 0.999 20 0 DCADMM CC(C)(C)CC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(N)=O ZINC001589123251 1166635525 /nfs/dbraw/zinc/63/55/25/1166635525.db2.gz MDQPSOJFLCFMPQ-QMMMGPOBSA-N -1 1 304.358 0.749 20 0 DCADMM CC(C)(C)CC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(N)=O ZINC001589123251 1166635531 /nfs/dbraw/zinc/63/55/31/1166635531.db2.gz MDQPSOJFLCFMPQ-QMMMGPOBSA-N -1 1 304.358 0.749 20 0 DCADMM CC(C)(C)/C=C\C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001589111125 1166635720 /nfs/dbraw/zinc/63/57/20/1166635720.db2.gz NWWZZDVSCJVZCP-PLNGDYQASA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)/C=C\C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001589111125 1166635722 /nfs/dbraw/zinc/63/57/22/1166635722.db2.gz NWWZZDVSCJVZCP-PLNGDYQASA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(F)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001589311332 1166648393 /nfs/dbraw/zinc/64/83/93/1166648393.db2.gz KMVJGCHIJLUSBD-UHFFFAOYSA-N -1 1 324.320 0.113 20 0 DCADMM CC(C)(F)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001589311332 1166648398 /nfs/dbraw/zinc/64/83/98/1166648398.db2.gz KMVJGCHIJLUSBD-UHFFFAOYSA-N -1 1 324.320 0.113 20 0 DCADMM CC(C)=CC(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001589354534 1166653160 /nfs/dbraw/zinc/65/31/60/1166653160.db2.gz UBJWPGJSADEXKQ-SNVBAGLBSA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)=CC(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001589354534 1166653166 /nfs/dbraw/zinc/65/31/66/1166653166.db2.gz UBJWPGJSADEXKQ-SNVBAGLBSA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1nncn1C ZINC001589475510 1166661910 /nfs/dbraw/zinc/66/19/10/1166661910.db2.gz NYKMGKMXOLZAMA-JTQLQIEISA-N -1 1 319.398 0.939 20 0 DCADMM CC(C)[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1nncn1C ZINC001589475510 1166661916 /nfs/dbraw/zinc/66/19/16/1166661916.db2.gz NYKMGKMXOLZAMA-JTQLQIEISA-N -1 1 319.398 0.939 20 0 DCADMM CC(C)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1=O ZINC001589629951 1166668143 /nfs/dbraw/zinc/66/81/43/1166668143.db2.gz KLFOULDZIGSSNQ-UHFFFAOYSA-N -1 1 318.337 0.400 20 0 DCADMM CC(C)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1=O ZINC001589629951 1166668147 /nfs/dbraw/zinc/66/81/47/1166668147.db2.gz KLFOULDZIGSSNQ-UHFFFAOYSA-N -1 1 318.337 0.400 20 0 DCADMM CC(C)OC(=O)c1cn(Cc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001589735986 1166680980 /nfs/dbraw/zinc/68/09/80/1166680980.db2.gz LIQFHHYKFFFGRZ-UHFFFAOYSA-N -1 1 314.309 0.467 20 0 DCADMM CC(C)OC(=O)c1cn(Cc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001589735986 1166680983 /nfs/dbraw/zinc/68/09/83/1166680983.db2.gz LIQFHHYKFFFGRZ-UHFFFAOYSA-N -1 1 314.309 0.467 20 0 DCADMM CC(C)n1nnc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001589785624 1166688301 /nfs/dbraw/zinc/68/83/01/1166688301.db2.gz OAEUBCMCUNPOCM-UHFFFAOYSA-N -1 1 300.286 0.081 20 0 DCADMM CC(C)n1nnc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001589785624 1166688306 /nfs/dbraw/zinc/68/83/06/1166688306.db2.gz OAEUBCMCUNPOCM-UHFFFAOYSA-N -1 1 300.286 0.081 20 0 DCADMM C[C@H](CCCO)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589821579 1166692194 /nfs/dbraw/zinc/69/21/94/1166692194.db2.gz RWRFNVBPUQILGH-SSDOTTSWSA-N -1 1 311.371 0.283 20 0 DCADMM C[C@H](CCCO)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589821579 1166692201 /nfs/dbraw/zinc/69/22/01/1166692201.db2.gz RWRFNVBPUQILGH-SSDOTTSWSA-N -1 1 311.371 0.283 20 0 DCADMM C[C@@H](CC[S@](C)=O)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589834869 1166695894 /nfs/dbraw/zinc/69/58/94/1166695894.db2.gz NCELYUUOBMKPOE-ZCAPAMDOSA-N -1 1 323.382 0.540 20 0 DCADMM C[C@@H](CC[S@](C)=O)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589834869 1166695900 /nfs/dbraw/zinc/69/59/00/1166695900.db2.gz NCELYUUOBMKPOE-ZCAPAMDOSA-N -1 1 323.382 0.540 20 0 DCADMM C[C@H](CN1CCOCC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589848728 1166700066 /nfs/dbraw/zinc/70/00/66/1166700066.db2.gz UBAPZHBEKRDOPR-SNVBAGLBSA-N -1 1 320.353 0.252 20 0 DCADMM C[C@H](CN1CCOCC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589848728 1166700072 /nfs/dbraw/zinc/70/00/72/1166700072.db2.gz UBAPZHBEKRDOPR-SNVBAGLBSA-N -1 1 320.353 0.252 20 0 DCADMM C[C@H](COCC(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589886333 1166707932 /nfs/dbraw/zinc/70/79/32/1166707932.db2.gz UIISBRZAHNOTCB-ZCFIWIBFSA-N -1 1 303.248 0.458 20 0 DCADMM C[C@H](Cc1cnn(C)c1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589904303 1166714163 /nfs/dbraw/zinc/71/41/63/1166714163.db2.gz LPVGXGRNDGERKN-SSDOTTSWSA-N -1 1 301.314 0.141 20 0 DCADMM C[C@H](Cc1cnn(C)c1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589904303 1166714170 /nfs/dbraw/zinc/71/41/70/1166714170.db2.gz LPVGXGRNDGERKN-SSDOTTSWSA-N -1 1 301.314 0.141 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1csnn1 ZINC001589926818 1166720601 /nfs/dbraw/zinc/72/06/01/1166720601.db2.gz WIOKPKRAOVMHJK-SSDOTTSWSA-N -1 1 316.350 0.533 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1csnn1 ZINC001589926818 1166720608 /nfs/dbraw/zinc/72/06/08/1166720608.db2.gz WIOKPKRAOVMHJK-SSDOTTSWSA-N -1 1 316.350 0.533 20 0 DCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H](O)Cc1ccccc1 ZINC001589986070 1166734143 /nfs/dbraw/zinc/73/41/43/1166734143.db2.gz WECFOASQNBEVFU-PWSUYJOCSA-N -1 1 311.349 0.483 20 0 DCADMM C[C@@](O)(CNC(=O)c1coc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589989408 1166737780 /nfs/dbraw/zinc/73/77/80/1166737780.db2.gz VAFZDGRACVQORA-SECBINFHSA-N -1 1 305.216 0.503 20 0 DCADMM C[C@@](O)(CNC(=O)c1coc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589989408 1166737786 /nfs/dbraw/zinc/73/77/86/1166737786.db2.gz VAFZDGRACVQORA-SECBINFHSA-N -1 1 305.216 0.503 20 0 DCADMM C[C@](O)(CNC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001589989398 1166738788 /nfs/dbraw/zinc/73/87/88/1166738788.db2.gz USUVYLSGLCDFKA-INIZCTEOSA-N -1 1 324.344 0.899 20 0 DCADMM C[C@](O)(CNC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001589989398 1166738794 /nfs/dbraw/zinc/73/87/94/1166738794.db2.gz USUVYLSGLCDFKA-INIZCTEOSA-N -1 1 324.344 0.899 20 0 DCADMM C[C@@H](O)[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC001589995136 1166739902 /nfs/dbraw/zinc/73/99/02/1166739902.db2.gz KTRCCWUVAGDBAR-VXNVDRBHSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@@H](O)[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC001589995136 1166739904 /nfs/dbraw/zinc/73/99/04/1166739904.db2.gz KTRCCWUVAGDBAR-VXNVDRBHSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@@H](O)C(C)(C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589993221 1166740364 /nfs/dbraw/zinc/74/03/64/1166740364.db2.gz PYPISMUXLNFQTP-SSDOTTSWSA-N -1 1 308.346 0.129 20 0 DCADMM C[C@@H](O)C(C)(C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589993221 1166740372 /nfs/dbraw/zinc/74/03/72/1166740372.db2.gz PYPISMUXLNFQTP-SSDOTTSWSA-N -1 1 308.346 0.129 20 0 DCADMM C[C@H](O)[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001589994743 1166740403 /nfs/dbraw/zinc/74/04/03/1166740403.db2.gz IKZVEGRXXGETOB-VHSXEESVSA-N -1 1 317.353 0.886 20 0 DCADMM C[C@H](O)[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001589994743 1166740408 /nfs/dbraw/zinc/74/04/08/1166740408.db2.gz IKZVEGRXXGETOB-VHSXEESVSA-N -1 1 317.353 0.886 20 0 DCADMM C[C@@H](O)[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001589994529 1166740629 /nfs/dbraw/zinc/74/06/29/1166740629.db2.gz HCVGYAFHIKTSIP-SCZZXKLOSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H](O)[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001589994529 1166740635 /nfs/dbraw/zinc/74/06/35/1166740635.db2.gz HCVGYAFHIKTSIP-SCZZXKLOSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589996041 1166744249 /nfs/dbraw/zinc/74/42/49/1166744249.db2.gz GBWGWOZZLCBLTE-RKDXNWHRSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589996041 1166744258 /nfs/dbraw/zinc/74/42/58/1166744258.db2.gz GBWGWOZZLCBLTE-RKDXNWHRSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C ZINC001590014018 1166753241 /nfs/dbraw/zinc/75/32/41/1166753241.db2.gz JDOCNHIOHKJPDN-MRVPVSSYSA-N -1 1 318.337 0.722 20 0 DCADMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C ZINC001590014018 1166753245 /nfs/dbraw/zinc/75/32/45/1166753245.db2.gz JDOCNHIOHKJPDN-MRVPVSSYSA-N -1 1 318.337 0.722 20 0 DCADMM C[C@]1(C(F)F)CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001590074598 1166764974 /nfs/dbraw/zinc/76/49/74/1166764974.db2.gz VFZPIFWQAGTOOM-CYBMUJFWSA-N -1 1 324.291 0.758 20 0 DCADMM C[C@]1(C(F)F)CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001590074598 1166764980 /nfs/dbraw/zinc/76/49/80/1166764980.db2.gz VFZPIFWQAGTOOM-CYBMUJFWSA-N -1 1 324.291 0.758 20 0 DCADMM CC1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CCS1(=O)=O ZINC001590084008 1166771334 /nfs/dbraw/zinc/77/13/34/1166771334.db2.gz RSDOAEPNPKJFLV-QMMMGPOBSA-N -1 1 323.382 0.424 20 0 DCADMM CC1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CCS1(=O)=O ZINC001590084008 1166771340 /nfs/dbraw/zinc/77/13/40/1166771340.db2.gz RSDOAEPNPKJFLV-QMMMGPOBSA-N -1 1 323.382 0.424 20 0 DCADMM CC1(C)CC[C@@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)O1 ZINC001590090001 1166772223 /nfs/dbraw/zinc/77/22/23/1166772223.db2.gz XCABSZLSSFRUER-NSHDSACASA-N -1 1 316.365 0.878 20 0 DCADMM CC1(C)CC[C@@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)O1 ZINC001590090001 1166772227 /nfs/dbraw/zinc/77/22/27/1166772227.db2.gz XCABSZLSSFRUER-NSHDSACASA-N -1 1 316.365 0.878 20 0 DCADMM CC1(C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CCCO1 ZINC001590104363 1166773369 /nfs/dbraw/zinc/77/33/69/1166773369.db2.gz XPYKPHBDVVRCLU-UHFFFAOYSA-N -1 1 302.338 0.903 20 0 DCADMM CC1(C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CCCO1 ZINC001590104363 1166773375 /nfs/dbraw/zinc/77/33/75/1166773375.db2.gz XPYKPHBDVVRCLU-UHFFFAOYSA-N -1 1 302.338 0.903 20 0 DCADMM CC1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)OCCO1 ZINC001590134414 1166783708 /nfs/dbraw/zinc/78/37/08/1166783708.db2.gz ZFDMYSIGCOAZGS-UHFFFAOYSA-N -1 1 303.326 0.709 20 0 DCADMM CC1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)OCCO1 ZINC001590134414 1166783712 /nfs/dbraw/zinc/78/37/12/1166783712.db2.gz ZFDMYSIGCOAZGS-UHFFFAOYSA-N -1 1 303.326 0.709 20 0 DCADMM CC1(CO)CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590136200 1166785307 /nfs/dbraw/zinc/78/53/07/1166785307.db2.gz KCDQFXOBDHRUFB-UHFFFAOYSA-N -1 1 302.338 0.496 20 0 DCADMM CC1(CO)CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590136200 1166785310 /nfs/dbraw/zinc/78/53/10/1166785310.db2.gz KCDQFXOBDHRUFB-UHFFFAOYSA-N -1 1 302.338 0.496 20 0 DCADMM C[C@@H]1C(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C(=O)N1C1CC1 ZINC001590165925 1166796273 /nfs/dbraw/zinc/79/62/73/1166796273.db2.gz QKBNZBYJGSVZAG-ZCFIWIBFSA-N -1 1 319.350 0.638 20 0 DCADMM C[C@@H]1C(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C(=O)N1C1CC1 ZINC001590165925 1166796277 /nfs/dbraw/zinc/79/62/77/1166796277.db2.gz QKBNZBYJGSVZAG-ZCFIWIBFSA-N -1 1 319.350 0.638 20 0 DCADMM C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001590167778 1166797748 /nfs/dbraw/zinc/79/77/48/1166797748.db2.gz PCDRJEMPSOWBGM-NXEZZACHSA-N -1 1 301.354 0.426 20 0 DCADMM C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001590167778 1166797752 /nfs/dbraw/zinc/79/77/52/1166797752.db2.gz PCDRJEMPSOWBGM-NXEZZACHSA-N -1 1 301.354 0.426 20 0 DCADMM C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001590167780 1166799951 /nfs/dbraw/zinc/79/99/51/1166799951.db2.gz PCDRJEMPSOWBGM-VHSXEESVSA-N -1 1 301.354 0.426 20 0 DCADMM C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001590167780 1166799954 /nfs/dbraw/zinc/79/99/54/1166799954.db2.gz PCDRJEMPSOWBGM-VHSXEESVSA-N -1 1 301.354 0.426 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590214469 1166815190 /nfs/dbraw/zinc/81/51/90/1166815190.db2.gz NDUQALIEMHSFSI-IUCAKERBSA-N -1 1 302.342 0.183 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590214469 1166815192 /nfs/dbraw/zinc/81/51/92/1166815192.db2.gz NDUQALIEMHSFSI-IUCAKERBSA-N -1 1 302.342 0.183 20 0 DCADMM C[C@H]1CC[C@@H](C(=O)NCCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590222326 1166819168 /nfs/dbraw/zinc/81/91/68/1166819168.db2.gz GFJKUVSREGCZKH-VHSXEESVSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H]1CC[C@@H](C(=O)NCCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590222326 1166819173 /nfs/dbraw/zinc/81/91/73/1166819173.db2.gz GFJKUVSREGCZKH-VHSXEESVSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H]1CC[C@H](Nc2ncncc2-c2nn[n-]n2)CS1(=O)=O ZINC001590240741 1166824856 /nfs/dbraw/zinc/82/48/56/1166824856.db2.gz UGIWZGNPPOCVCQ-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cncc(-c2nn[n-]n2)c1=O ZINC001590243116 1166825827 /nfs/dbraw/zinc/82/58/27/1166825827.db2.gz IZSIYBSKKADWSQ-NXEZZACHSA-N -1 1 317.353 0.213 20 0 DCADMM C[C@@H]1CCC[C@@]1(O)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590247545 1166826606 /nfs/dbraw/zinc/82/66/06/1166826606.db2.gz JVCIOQJCIJVXEB-AMIZOPFISA-N -1 1 320.357 0.273 20 0 DCADMM C[C@@H]1CCC[C@@]1(O)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590247545 1166826611 /nfs/dbraw/zinc/82/66/11/1166826611.db2.gz JVCIOQJCIJVXEB-AMIZOPFISA-N -1 1 320.357 0.273 20 0 DCADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](C(N)=O)C1 ZINC001590270572 1166832564 /nfs/dbraw/zinc/83/25/64/1166832564.db2.gz ZUTBBAQGPGCOGS-SFYZADRCSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](C(N)=O)C1 ZINC001590270572 1166832570 /nfs/dbraw/zinc/83/25/70/1166832570.db2.gz ZUTBBAQGPGCOGS-SFYZADRCSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590284684 1166838957 /nfs/dbraw/zinc/83/89/57/1166838957.db2.gz LSQNLQUHCBWDNW-DOLQZWNJSA-N -1 1 320.357 0.044 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](C)[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590286212 1166838988 /nfs/dbraw/zinc/83/89/88/1166838988.db2.gz ZGECAQXSWAQJOM-RGOKHQFPSA-N -1 1 304.358 0.522 20 0 DCADMM C[C@H]1CN(C(=O)Cn2ccnc2-c2nnn[n-]2)CC(C)(C)O1 ZINC001590292496 1166843040 /nfs/dbraw/zinc/84/30/40/1166843040.db2.gz YESJPCRLCOAMFU-VIFPVBQESA-N -1 1 305.342 0.089 20 0 DCADMM C[C@H]1CN(C(=O)Cn2ccnc2-c2nn[n-]n2)CC(C)(C)O1 ZINC001590292496 1166843044 /nfs/dbraw/zinc/84/30/44/1166843044.db2.gz YESJPCRLCOAMFU-VIFPVBQESA-N -1 1 305.342 0.089 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@]1(C)CO ZINC001590297028 1166843051 /nfs/dbraw/zinc/84/30/51/1166843051.db2.gz AKZVFKYXBMANMY-OTYXRUKQSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@]1(C)CO ZINC001590297028 1166843054 /nfs/dbraw/zinc/84/30/54/1166843054.db2.gz AKZVFKYXBMANMY-OTYXRUKQSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@]1(C)CO ZINC001590299386 1166847463 /nfs/dbraw/zinc/84/74/63/1166847463.db2.gz FLXWFAPTSHAOIK-XPTSAGLGSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@]1(C)CO ZINC001590299386 1166847469 /nfs/dbraw/zinc/84/74/69/1166847469.db2.gz FLXWFAPTSHAOIK-XPTSAGLGSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)S1=O ZINC001590300261 1166849090 /nfs/dbraw/zinc/84/90/90/1166849090.db2.gz UXEIFJNXCZHVLS-IUCAKERBSA-N -1 1 320.378 0.243 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)S1=O ZINC001590300261 1166849093 /nfs/dbraw/zinc/84/90/93/1166849093.db2.gz UXEIFJNXCZHVLS-IUCAKERBSA-N -1 1 320.378 0.243 20 0 DCADMM C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590323566 1166865561 /nfs/dbraw/zinc/86/55/61/1166865561.db2.gz MRLVYVIXCXPLBT-HTRCEHHLSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590323566 1166865565 /nfs/dbraw/zinc/86/55/65/1166865565.db2.gz MRLVYVIXCXPLBT-HTRCEHHLSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1OCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)[C@H]1C ZINC001590340018 1166876152 /nfs/dbraw/zinc/87/61/52/1166876152.db2.gz ZCWVPPVRVYSKKH-DTWKUNHWSA-N -1 1 303.326 0.903 20 0 DCADMM C[C@H]1OCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)[C@H]1C ZINC001590340018 1166876156 /nfs/dbraw/zinc/87/61/56/1166876156.db2.gz ZCWVPPVRVYSKKH-DTWKUNHWSA-N -1 1 303.326 0.903 20 0 DCADMM C/C=C(\C)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590349158 1166878592 /nfs/dbraw/zinc/87/85/92/1166878592.db2.gz ZQDUKGXVBMMGGS-NAZIUFLLSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(\C)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590349158 1166878598 /nfs/dbraw/zinc/87/85/98/1166878598.db2.gz ZQDUKGXVBMMGGS-NAZIUFLLSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(\C)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001590349383 1166879096 /nfs/dbraw/zinc/87/90/96/1166879096.db2.gz JHUWFZBRIFNKFP-VGANXODHSA-N -1 1 302.342 0.540 20 0 DCADMM C/C=C(\C)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001590349383 1166879101 /nfs/dbraw/zinc/87/91/01/1166879101.db2.gz JHUWFZBRIFNKFP-VGANXODHSA-N -1 1 302.342 0.540 20 0 DCADMM C/C=C\C[C@H](CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590353065 1166881609 /nfs/dbraw/zinc/88/16/09/1166881609.db2.gz NPGCZIRVGRUADX-TUUFMJSCSA-N -1 1 306.330 0.049 20 0 DCADMM C/C=C\C[C@H](CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590353065 1166881612 /nfs/dbraw/zinc/88/16/12/1166881612.db2.gz NPGCZIRVGRUADX-TUUFMJSCSA-N -1 1 306.330 0.049 20 0 DCADMM C/C=C(/C)C(=O)NCCN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001590351693 1166881861 /nfs/dbraw/zinc/88/18/61/1166881861.db2.gz ZIWRQHUZLOFZLL-WMZJFQQLSA-N -1 1 316.369 0.565 20 0 DCADMM C/C=C(/C)C(=O)NCCN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001590351693 1166881872 /nfs/dbraw/zinc/88/18/72/1166881872.db2.gz ZIWRQHUZLOFZLL-WMZJFQQLSA-N -1 1 316.369 0.565 20 0 DCADMM CCC(=O)N(C)CCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590359932 1166883959 /nfs/dbraw/zinc/88/39/59/1166883959.db2.gz PZTSMLJOPFVRFZ-UHFFFAOYSA-N -1 1 304.358 0.499 20 0 DCADMM CCC(=O)N(C)CCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590359932 1166883963 /nfs/dbraw/zinc/88/39/63/1166883963.db2.gz PZTSMLJOPFVRFZ-UHFFFAOYSA-N -1 1 304.358 0.499 20 0 DCADMM CCC(=O)N[C@@H](C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590363463 1166886200 /nfs/dbraw/zinc/88/62/00/1166886200.db2.gz AMKXJIASKCWVON-IUCAKERBSA-N -1 1 304.358 0.762 20 0 DCADMM CCC(=O)N[C@@H](C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590363463 1166886206 /nfs/dbraw/zinc/88/62/06/1166886206.db2.gz AMKXJIASKCWVON-IUCAKERBSA-N -1 1 304.358 0.762 20 0 DCADMM CCC(=O)N[C@@H](C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590363461 1166888159 /nfs/dbraw/zinc/88/81/59/1166888159.db2.gz AMKXJIASKCWVON-BDAKNGLRSA-N -1 1 304.358 0.762 20 0 DCADMM CCC(=O)N[C@@H](C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590363461 1166888164 /nfs/dbraw/zinc/88/81/64/1166888164.db2.gz AMKXJIASKCWVON-BDAKNGLRSA-N -1 1 304.358 0.762 20 0 DCADMM CCC(=O)NCCCN(c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001590366373 1166889041 /nfs/dbraw/zinc/88/90/41/1166889041.db2.gz OLZWEMUJQKVFIR-UHFFFAOYSA-N -1 1 318.385 0.788 20 0 DCADMM CCC(=O)NCCCN(c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001590366373 1166889049 /nfs/dbraw/zinc/88/90/49/1166889049.db2.gz OLZWEMUJQKVFIR-UHFFFAOYSA-N -1 1 318.385 0.788 20 0 DCADMM CCC(C)(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590371778 1166893097 /nfs/dbraw/zinc/89/30/97/1166893097.db2.gz BZPDNQAATXOKBI-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CCC(C)(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590371778 1166893104 /nfs/dbraw/zinc/89/31/04/1166893104.db2.gz BZPDNQAATXOKBI-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](C)N(CC(=O)OC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590412414 1166901412 /nfs/dbraw/zinc/90/14/12/1166901412.db2.gz OSGLHLXKYYIKKW-VIFPVBQESA-N -1 1 318.337 0.675 20 0 DCADMM CC[C@H](C)N(CC(=O)OC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590412414 1166901420 /nfs/dbraw/zinc/90/14/20/1166901420.db2.gz OSGLHLXKYYIKKW-VIFPVBQESA-N -1 1 318.337 0.675 20 0 DCADMM CC[C@H](C)c1nnc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)[nH]1 ZINC001590416918 1166903999 /nfs/dbraw/zinc/90/39/99/1166903999.db2.gz GERKVAHBXKQOFX-JGVFFNPUSA-N -1 1 314.357 0.883 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590451762 1166909868 /nfs/dbraw/zinc/90/98/68/1166909868.db2.gz MLHOMSXYMNDZPB-QMMMGPOBSA-N -1 1 308.321 0.275 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590451762 1166909874 /nfs/dbraw/zinc/90/98/74/1166909874.db2.gz MLHOMSXYMNDZPB-QMMMGPOBSA-N -1 1 308.321 0.275 20 0 DCADMM CC[C@H](Cn1c(=O)c(-c2nn[n-]n2)c(C)n(C2CC2)c1=O)OC ZINC001590452321 1166910160 /nfs/dbraw/zinc/91/01/60/1166910160.db2.gz QKICDRQVAJZUNY-SNVBAGLBSA-N -1 1 320.353 0.258 20 0 DCADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](O)C(F)F ZINC001590460417 1166915299 /nfs/dbraw/zinc/91/52/99/1166915299.db2.gz WLCSRSMCAHXHEH-CBAPKCEASA-N -1 1 312.280 0.396 20 0 DCADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](O)C(F)F ZINC001590460417 1166915304 /nfs/dbraw/zinc/91/53/04/1166915304.db2.gz WLCSRSMCAHXHEH-CBAPKCEASA-N -1 1 312.280 0.396 20 0 DCADMM CC[C@@H](O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590477771 1166920194 /nfs/dbraw/zinc/92/01/94/1166920194.db2.gz YZYJEKWNHFMULV-SSDOTTSWSA-N -1 1 317.396 0.368 20 0 DCADMM CC[C@@H](O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590477771 1166920200 /nfs/dbraw/zinc/92/02/00/1166920200.db2.gz YZYJEKWNHFMULV-SSDOTTSWSA-N -1 1 317.396 0.368 20 0 DCADMM CCC1(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CCC1 ZINC001590496639 1166925266 /nfs/dbraw/zinc/92/52/66/1166925266.db2.gz SWWWWWNPLWUNTD-UHFFFAOYSA-N -1 1 305.342 0.658 20 0 DCADMM CC[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CCCO1 ZINC001590521045 1166933325 /nfs/dbraw/zinc/93/33/25/1166933325.db2.gz NFVBGKPWWDORRO-SNVBAGLBSA-N -1 1 302.338 0.903 20 0 DCADMM CC[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CCCO1 ZINC001590521045 1166933331 /nfs/dbraw/zinc/93/33/31/1166933331.db2.gz NFVBGKPWWDORRO-SNVBAGLBSA-N -1 1 302.338 0.903 20 0 DCADMM CC/C=C(\C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590526196 1166936964 /nfs/dbraw/zinc/93/69/64/1166936964.db2.gz XQTCZFBOADXKPF-BJMVGYQFSA-N -1 1 316.369 0.883 20 0 DCADMM CC/C=C(\C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590526196 1166936968 /nfs/dbraw/zinc/93/69/68/1166936968.db2.gz XQTCZFBOADXKPF-BJMVGYQFSA-N -1 1 316.369 0.883 20 0 DCADMM CC/C=C(/C)C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590536020 1166936979 /nfs/dbraw/zinc/93/69/79/1166936979.db2.gz SXDMEVXQYGILJT-YHYXMXQVSA-N -1 1 316.369 0.931 20 0 DCADMM CC/C=C(/C)C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590536020 1166936982 /nfs/dbraw/zinc/93/69/82/1166936982.db2.gz SXDMEVXQYGILJT-YHYXMXQVSA-N -1 1 316.369 0.931 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001590536785 1166940000 /nfs/dbraw/zinc/94/00/00/1166940000.db2.gz VHFFKCCFHHGBKY-SECBINFHSA-N -1 1 304.358 0.398 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001590536785 1166940005 /nfs/dbraw/zinc/94/00/05/1166940005.db2.gz VHFFKCCFHHGBKY-SECBINFHSA-N -1 1 304.358 0.398 20 0 DCADMM CCC[C@@]1(C)NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001590564161 1166944371 /nfs/dbraw/zinc/94/43/71/1166944371.db2.gz RDOBVGJBPFCUOH-GFCCVEGCSA-N -1 1 321.366 0.934 20 0 DCADMM CCC[C@@]1(C)NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001590564161 1166944373 /nfs/dbraw/zinc/94/43/73/1166944373.db2.gz RDOBVGJBPFCUOH-GFCCVEGCSA-N -1 1 321.366 0.934 20 0 DCADMM CCCCOCCn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC001590613198 1166948496 /nfs/dbraw/zinc/94/84/96/1166948496.db2.gz OSANAMZEMSXGAY-UHFFFAOYSA-N -1 1 321.337 0.632 20 0 DCADMM CCCCNC(=S)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590604750 1166949595 /nfs/dbraw/zinc/94/95/95/1166949595.db2.gz VNJFXZLTNOTWGL-UHFFFAOYSA-N -1 1 323.430 0.369 20 0 DCADMM CCCCNC(=S)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590604750 1166949601 /nfs/dbraw/zinc/94/96/01/1166949601.db2.gz VNJFXZLTNOTWGL-UHFFFAOYSA-N -1 1 323.430 0.369 20 0 DCADMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)C=C(C)C ZINC001590713706 1166980188 /nfs/dbraw/zinc/98/01/88/1166980188.db2.gz HSXDRUMSQVGHKO-UHFFFAOYSA-N -1 1 316.369 0.883 20 0 DCADMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)C=C(C)C ZINC001590713706 1166980190 /nfs/dbraw/zinc/98/01/90/1166980190.db2.gz HSXDRUMSQVGHKO-UHFFFAOYSA-N -1 1 316.369 0.883 20 0 DCADMM CCN1C[C@H](CNc2nc(-c3nn[n-]n3)ccc2C)CC1=O ZINC001590730982 1166987552 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/nfs/dbraw/zinc/22/78/26/1167227826.db2.gz JJXMGIDNJQITID-ZJUUUORDSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@H]1CC[C@@H](C)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591347743 1167227832 /nfs/dbraw/zinc/22/78/32/1167227832.db2.gz JJXMGIDNJQITID-ZJUUUORDSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@@H]1COCC[C@H]1N(C)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591361131 1167235788 /nfs/dbraw/zinc/23/57/88/1167235788.db2.gz JTNXJBOQYDXJLU-GHMZBOCLSA-N -1 1 304.354 0.810 20 0 DCADMM CO[C@@H]1COCC[C@H]1N(C)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591361131 1167235792 /nfs/dbraw/zinc/23/57/92/1167235792.db2.gz JTNXJBOQYDXJLU-GHMZBOCLSA-N -1 1 304.354 0.810 20 0 DCADMM COC[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)nc1)OC ZINC001591376580 1167247510 /nfs/dbraw/zinc/24/75/10/1167247510.db2.gz ULYODYDETHMGCG-SNVBAGLBSA-N -1 1 306.326 0.043 20 0 DCADMM COC[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)nc1)OC ZINC001591376580 1167247517 /nfs/dbraw/zinc/24/75/17/1167247517.db2.gz ULYODYDETHMGCG-SNVBAGLBSA-N -1 1 306.326 0.043 20 0 DCADMM COC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001591379140 1167249991 /nfs/dbraw/zinc/24/99/91/1167249991.db2.gz GOICKKYGKJYBMM-GFCCVEGCSA-N -1 1 304.354 0.591 20 0 DCADMM COC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001591379140 1167249996 /nfs/dbraw/zinc/24/99/96/1167249996.db2.gz GOICKKYGKJYBMM-GFCCVEGCSA-N -1 1 304.354 0.591 20 0 DCADMM COC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC001591383198 1167256111 /nfs/dbraw/zinc/25/61/11/1167256111.db2.gz YSTUZFQQJHADNZ-MFKMUULPSA-N -1 1 304.354 0.537 20 0 DCADMM COC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC001591383198 1167256118 /nfs/dbraw/zinc/25/61/18/1167256118.db2.gz YSTUZFQQJHADNZ-MFKMUULPSA-N -1 1 304.354 0.537 20 0 DCADMM COCC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001591388609 1167258263 /nfs/dbraw/zinc/25/82/63/1167258263.db2.gz GLOPXEXQCBMFER-UHFFFAOYSA-N -1 1 305.342 0.512 20 0 DCADMM COCC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001591388609 1167258270 /nfs/dbraw/zinc/25/82/70/1167258270.db2.gz GLOPXEXQCBMFER-UHFFFAOYSA-N -1 1 305.342 0.512 20 0 DCADMM COCC1(O)CN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001591390174 1167258510 /nfs/dbraw/zinc/25/85/10/1167258510.db2.gz CENLFLKNOCNUEZ-UHFFFAOYSA-N -1 1 313.321 0.007 20 0 DCADMM COCC1(O)CN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001591390174 1167258517 /nfs/dbraw/zinc/25/85/17/1167258517.db2.gz CENLFLKNOCNUEZ-UHFFFAOYSA-N -1 1 313.321 0.007 20 0 DCADMM COC[C@H]1CCCN1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591393966 1167261103 /nfs/dbraw/zinc/26/11/03/1167261103.db2.gz KGRXHIOTTLXAFL-SECBINFHSA-N -1 1 303.326 0.017 20 0 DCADMM COC[C@H]1CCCN1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591393966 1167261111 /nfs/dbraw/zinc/26/11/11/1167261111.db2.gz KGRXHIOTTLXAFL-SECBINFHSA-N -1 1 303.326 0.017 20 0 DCADMM COC[C@H]1CCN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001591394060 1167262319 /nfs/dbraw/zinc/26/23/19/1167262319.db2.gz NOVMYQOKTKDHSB-SSDOTTSWSA-N -1 1 315.380 0.338 20 0 DCADMM COC[C@@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001591395572 1167264678 /nfs/dbraw/zinc/26/46/78/1167264678.db2.gz FKDZOQJNHISHRZ-QWRGUYRKSA-N -1 1 304.354 0.810 20 0 DCADMM COC[C@@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001591395572 1167264684 /nfs/dbraw/zinc/26/46/84/1167264684.db2.gz FKDZOQJNHISHRZ-QWRGUYRKSA-N -1 1 304.354 0.810 20 0 DCADMM COCCCCCOC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591411450 1167270719 /nfs/dbraw/zinc/27/07/19/1167270719.db2.gz QMIRHHJNXGHRKR-VIFPVBQESA-N -1 1 309.330 0.379 20 0 DCADMM COCCCN(C)c1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001591414181 1167272595 /nfs/dbraw/zinc/27/25/95/1167272595.db2.gz IBLPVUOYPSTJQU-UHFFFAOYSA-N -1 1 306.326 0.521 20 0 DCADMM COCCCN(C)c1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001591414181 1167272604 /nfs/dbraw/zinc/27/26/04/1167272604.db2.gz IBLPVUOYPSTJQU-UHFFFAOYSA-N -1 1 306.326 0.521 20 0 DCADMM COCCCN(CCOC)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591414395 1167273216 /nfs/dbraw/zinc/27/32/16/1167273216.db2.gz OKSAYIAJQQSSTA-UHFFFAOYSA-N -1 1 320.353 0.387 20 0 DCADMM COCCCN(CCOC)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591414395 1167273220 /nfs/dbraw/zinc/27/32/20/1167273220.db2.gz OKSAYIAJQQSSTA-UHFFFAOYSA-N -1 1 320.353 0.387 20 0 DCADMM COCCN(CCOC)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591424773 1167282690 /nfs/dbraw/zinc/28/26/90/1167282690.db2.gz QXACUUPRFCUFCB-UHFFFAOYSA-N -1 1 319.369 0.633 20 0 DCADMM COCCN(CCOC)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591424773 1167282696 /nfs/dbraw/zinc/28/26/96/1167282696.db2.gz QXACUUPRFCUFCB-UHFFFAOYSA-N -1 1 319.369 0.633 20 0 DCADMM COCCn1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cn1 ZINC001591449944 1167288570 /nfs/dbraw/zinc/28/85/70/1167288570.db2.gz VMTHYEHNUSDROR-UHFFFAOYSA-N -1 1 320.338 0.418 20 0 DCADMM COCCn1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cn1 ZINC001591449944 1167288577 /nfs/dbraw/zinc/28/85/77/1167288577.db2.gz VMTHYEHNUSDROR-UHFFFAOYSA-N -1 1 320.338 0.418 20 0 DCADMM CON(C)C(=O)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001591463160 1167297043 /nfs/dbraw/zinc/29/70/43/1167297043.db2.gz RMYSRPUHYHIXJC-UHFFFAOYSA-N -1 1 314.305 0.201 20 0 DCADMM COc1c(F)nccc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001591475402 1167306475 /nfs/dbraw/zinc/30/64/75/1167306475.db2.gz AMUZPSWLYBLOPN-UHFFFAOYSA-N -1 1 318.272 0.693 20 0 DCADMM CO[C@H]1C[C@H](CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC001591475302 1167307682 /nfs/dbraw/zinc/30/76/82/1167307682.db2.gz YGYCCUDOIYGLFL-KYZUINATSA-N -1 1 306.326 0.247 20 0 DCADMM CO[C@H]1C[C@H](CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC001591475302 1167307686 /nfs/dbraw/zinc/30/76/86/1167307686.db2.gz YGYCCUDOIYGLFL-KYZUINATSA-N -1 1 306.326 0.247 20 0 DCADMM COc1ncc(NC(=O)N[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC001591665637 1167345405 /nfs/dbraw/zinc/34/54/05/1167345405.db2.gz HVYOHMQDCLZWQX-SSDOTTSWSA-N -1 1 305.298 0.181 20 0 DCADMM COc1ncc(NC(=O)c2ccnn2C)cc1-c1nn[n-]n1 ZINC001591668083 1167346239 /nfs/dbraw/zinc/34/62/39/1167346239.db2.gz PLUWVCRVYBKAMN-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM CS(=O)(=O)[C@H]1CCCN(Cc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591672571 1167349668 /nfs/dbraw/zinc/34/96/68/1167349668.db2.gz AEFATQHKDFMBIA-NSHDSACASA-N -1 1 322.394 0.271 20 0 DCADMM CS(=O)(=O)C1(CNc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001591671348 1167349757 /nfs/dbraw/zinc/34/97/57/1167349757.db2.gz FGPIZYPGDWDJQC-UHFFFAOYSA-N -1 1 308.367 0.063 20 0 DCADMM CS(=O)(=O)C1(CNc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001591671348 1167349765 /nfs/dbraw/zinc/34/97/65/1167349765.db2.gz FGPIZYPGDWDJQC-UHFFFAOYSA-N -1 1 308.367 0.063 20 0 DCADMM CS(=O)(=O)C[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591671434 1167349859 /nfs/dbraw/zinc/34/98/59/1167349859.db2.gz MVEMFOADDIRNFZ-SECBINFHSA-N -1 1 308.367 0.133 20 0 DCADMM CS(=O)(=O)C[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591671434 1167349863 /nfs/dbraw/zinc/34/98/63/1167349863.db2.gz MVEMFOADDIRNFZ-SECBINFHSA-N -1 1 308.367 0.133 20 0 DCADMM CS[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591690639 1167352887 /nfs/dbraw/zinc/35/28/87/1167352887.db2.gz PPYLUOKUXIDDSP-SNVBAGLBSA-N -1 1 304.379 0.768 20 0 DCADMM CS[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591690639 1167352892 /nfs/dbraw/zinc/35/28/92/1167352892.db2.gz PPYLUOKUXIDDSP-SNVBAGLBSA-N -1 1 304.379 0.768 20 0 DCADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1CO ZINC001591733619 1167364721 /nfs/dbraw/zinc/36/47/21/1167364721.db2.gz JEEPMKSIPVJXMW-BXKDBHETSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1CO ZINC001591733619 1167364726 /nfs/dbraw/zinc/36/47/26/1167364726.db2.gz JEEPMKSIPVJXMW-BXKDBHETSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1CC1 ZINC001591764140 1167368426 /nfs/dbraw/zinc/36/84/26/1167368426.db2.gz KGRUNPADNKDPCN-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1CC1 ZINC001591764140 1167368433 /nfs/dbraw/zinc/36/84/33/1167368433.db2.gz KGRUNPADNKDPCN-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H]1[C@H](O)CCCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591758267 1167370079 /nfs/dbraw/zinc/37/00/79/1167370079.db2.gz ZNBAFGIZVPSFGA-LDYMZIIASA-N -1 1 303.326 0.639 20 0 DCADMM C[C@@H]1[C@H](O)CCCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591758267 1167370084 /nfs/dbraw/zinc/37/00/84/1167370084.db2.gz ZNBAFGIZVPSFGA-LDYMZIIASA-N -1 1 303.326 0.639 20 0 DCADMM C[C@H]1[C@@H](O)CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591776087 1167373616 /nfs/dbraw/zinc/37/36/16/1167373616.db2.gz SKCZMKATVOVWHM-CABZTGNLSA-N -1 1 302.338 0.176 20 0 DCADMM C[C@H]1[C@@H](O)CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591776087 1167373618 /nfs/dbraw/zinc/37/36/18/1167373618.db2.gz SKCZMKATVOVWHM-CABZTGNLSA-N -1 1 302.338 0.176 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2cn(C(C)C)nn2)c1 ZINC001591837146 1167390551 /nfs/dbraw/zinc/39/05/51/1167390551.db2.gz SZTOMXGPHKNJJT-UHFFFAOYSA-N -1 1 300.326 0.558 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C(N)=O)CC[C@H]2C)n1 ZINC001591883895 1167409822 /nfs/dbraw/zinc/40/98/22/1167409822.db2.gz LBAMVBKMWJJPDF-RKDXNWHRSA-N -1 1 302.342 0.055 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C(N)=O)CC[C@H]2C)n1 ZINC001591883895 1167409825 /nfs/dbraw/zinc/40/98/25/1167409825.db2.gz LBAMVBKMWJJPDF-RKDXNWHRSA-N -1 1 302.342 0.055 20 0 DCADMM Cc1cc(COCC(=O)Nc2c[nH]nc2-c2nn[n-]n2)no1 ZINC001591973095 1167428093 /nfs/dbraw/zinc/42/80/93/1167428093.db2.gz SMPWTLZJSLEXMG-UHFFFAOYSA-N -1 1 304.270 0.042 20 0 DCADMM Cc1cc(N2CCC(OCCCO)CC2)cc(-c2nnn[n-]2)n1 ZINC001592002595 1167432512 /nfs/dbraw/zinc/43/25/12/1167432512.db2.gz ZUCOIMZKQYUOOX-UHFFFAOYSA-N -1 1 318.381 0.938 20 0 DCADMM Cc1cc(N2CCC(OCCCO)CC2)cc(-c2nn[n-]n2)n1 ZINC001592002595 1167432521 /nfs/dbraw/zinc/43/25/21/1167432521.db2.gz ZUCOIMZKQYUOOX-UHFFFAOYSA-N -1 1 318.381 0.938 20 0 DCADMM Cc1cc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)ccn1 ZINC001592029141 1167438319 /nfs/dbraw/zinc/43/83/19/1167438319.db2.gz WQVIPIUUUIPQTC-UHFFFAOYSA-N -1 1 311.305 0.653 20 0 DCADMM Cc1cc(NC[C@H](C(=O)[O-])C2CCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592038539 1167441371 /nfs/dbraw/zinc/44/13/71/1167441371.db2.gz JQQBWXOAOYVIHP-JTQLQIEISA-N -1 1 302.338 0.905 20 0 DCADMM Cc1cc(N[C@H](CO)C[C@H](O)C(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592035720 1167442100 /nfs/dbraw/zinc/44/21/00/1167442100.db2.gz PQVMLBXJHAIOAJ-AAEUAGOBSA-N -1 1 320.397 0.562 20 0 DCADMM Cc1cc(N[C@H](CO)C[C@H](O)C(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592035720 1167442101 /nfs/dbraw/zinc/44/21/01/1167442101.db2.gz PQVMLBXJHAIOAJ-AAEUAGOBSA-N -1 1 320.397 0.562 20 0 DCADMM Cc1cc(NC[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592044960 1167444766 /nfs/dbraw/zinc/44/47/66/1167444766.db2.gz UOSANSZVJPSKJW-JTQLQIEISA-N -1 1 313.365 0.993 20 0 DCADMM Cc1cc(NC[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592044960 1167444770 /nfs/dbraw/zinc/44/47/70/1167444770.db2.gz UOSANSZVJPSKJW-JTQLQIEISA-N -1 1 313.365 0.993 20 0 DCADMM Cc1ccc(C(=O)Cn2cncc(-c3nn[n-]n3)c2=O)cc1C ZINC001592115396 1167458291 /nfs/dbraw/zinc/45/82/91/1167458291.db2.gz GEQKRZDUZSPSHZ-UHFFFAOYSA-N -1 1 310.317 0.923 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001592109919 1167458341 /nfs/dbraw/zinc/45/83/41/1167458341.db2.gz HZQPVUKUMNNISJ-WDEREUQCSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCc2n[nH]c(=O)cc2C1 ZINC001592114651 1167458380 /nfs/dbraw/zinc/45/83/80/1167458380.db2.gz SEDLRKLHCJEZBH-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM Cc1ccc(CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)o1 ZINC001592150927 1167462505 /nfs/dbraw/zinc/46/25/05/1167462505.db2.gz CXFVNPNIEWAMPL-UHFFFAOYSA-N -1 1 302.298 0.018 20 0 DCADMM Cc1ccc(NCC[C@@H]2CCCS2(=O)=O)nc1-c1nnn[n-]1 ZINC001592183017 1167470293 /nfs/dbraw/zinc/47/02/93/1167470293.db2.gz JDLPHEWITUKSJL-JTQLQIEISA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(NCC[C@@H]2CCCS2(=O)=O)nc1-c1nn[n-]n1 ZINC001592183017 1167470296 /nfs/dbraw/zinc/47/02/96/1167470296.db2.gz JDLPHEWITUKSJL-JTQLQIEISA-N -1 1 322.394 0.949 20 0 DCADMM Cc1cccc2nc(CNc3ccnc(-c4nn[n-]n4)n3)n(C)c21 ZINC001592246891 1167477011 /nfs/dbraw/zinc/47/70/11/1167477011.db2.gz BCLDWCYGKZEEKE-UHFFFAOYSA-N -1 1 321.348 0.886 20 0 DCADMM Cc1cccc2ncc(C(=O)n3ncc(-c4nn[n-]n4)c3N)n21 ZINC001592245892 1167477794 /nfs/dbraw/zinc/47/77/94/1167477794.db2.gz CMUMQUXIKHPXNU-UHFFFAOYSA-N -1 1 309.293 0.290 20 0 DCADMM Cc1ccccc1CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001592258000 1167477846 /nfs/dbraw/zinc/47/78/46/1167477846.db2.gz OWENHRLVEIHRBI-UHFFFAOYSA-N -1 1 312.337 0.126 20 0 DCADMM Cc1ccn(CN2CCc3ncncc3C2)c(=O)c1-c1nn[n-]n1 ZINC001592266490 1167480081 /nfs/dbraw/zinc/48/00/81/1167480081.db2.gz DBIQXIFLZDHANV-UHFFFAOYSA-N -1 1 324.348 0.143 20 0 DCADMM Cc1ccn(C)c(=O)c1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592264872 1167480295 /nfs/dbraw/zinc/48/02/95/1167480295.db2.gz KNZOQWDBSPQYPG-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM Cc1ccn(C)c(=O)c1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592264872 1167480298 /nfs/dbraw/zinc/48/02/98/1167480298.db2.gz KNZOQWDBSPQYPG-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM Cc1[nH]nc(C(=O)N2CCc3c2cccc3-c2nn[nH]n2)c1[O-] ZINC001592325128 1167489107 /nfs/dbraw/zinc/48/91/07/1167489107.db2.gz WXSONMZHYCIPOX-UHFFFAOYSA-N -1 1 311.305 0.807 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cc(F)ccc2N)c1-c1nn[n-]n1 ZINC001592329941 1167490438 /nfs/dbraw/zinc/49/04/38/1167490438.db2.gz HPGUPZYAEOXJQJ-UHFFFAOYSA-N -1 1 302.273 0.872 20 0 DCADMM Cc1nnc(CCNC(=O)c2cc(-c3nn[n-]n3)oc2C)[nH]1 ZINC001592359440 1167503841 /nfs/dbraw/zinc/50/38/41/1167503841.db2.gz IBPBYUZEWJAPQR-UHFFFAOYSA-N -1 1 302.298 0.167 20 0 DCADMM Cc1nc(N[C@H]2CCc3c(nnn3C)C2)cc(-c2nnn[n-]2)n1 ZINC001592382961 1167509316 /nfs/dbraw/zinc/50/93/16/1167509316.db2.gz NFJBFLKFINUUIA-QMMMGPOBSA-N -1 1 312.341 0.063 20 0 DCADMM Cc1nc(N[C@H]2CCc3c(nnn3C)C2)cc(-c2nn[n-]n2)n1 ZINC001592382961 1167509322 /nfs/dbraw/zinc/50/93/22/1167509322.db2.gz NFJBFLKFINUUIA-QMMMGPOBSA-N -1 1 312.341 0.063 20 0 DCADMM Cc1nn(C)c(NC(=O)CC[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC001592433678 1167520995 /nfs/dbraw/zinc/52/09/95/1167520995.db2.gz GWWQUTLJANHGPY-SECBINFHSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1nn(C)c(NC(=O)CC[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC001592433678 1167521001 /nfs/dbraw/zinc/52/10/01/1167521001.db2.gz GWWQUTLJANHGPY-SECBINFHSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCC(=O)C[C@H]2C)c1-c1nnn[n-]1 ZINC001592433980 1167521058 /nfs/dbraw/zinc/52/10/58/1167521058.db2.gz KVQNGEOQBNEPNX-XCBNKYQSSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCC(=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC001592433980 1167521064 /nfs/dbraw/zinc/52/10/64/1167521064.db2.gz KVQNGEOQBNEPNX-XCBNKYQSSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nn(CC(=O)c2ccoc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436701 1167522472 /nfs/dbraw/zinc/52/24/72/1167522472.db2.gz ZYDLXEXQCUOZSX-UHFFFAOYSA-N -1 1 300.278 0.516 20 0 DCADMM Cc1nn(C[C@@H]2C[C@H]3CCC[C@@H]3O2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436683 1167522791 /nfs/dbraw/zinc/52/27/91/1167522791.db2.gz ZFCYMNNMLQFGSP-WOPDTQHZSA-N -1 1 316.365 0.998 20 0 DCADMM Cc1nsc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1-c1nn[n-]n1 ZINC001592488974 1167536351 /nfs/dbraw/zinc/53/63/51/1167536351.db2.gz FEQRXXGCJAUILJ-VGMNWLOBSA-N -1 1 308.367 0.847 20 0 DCADMM Cc1nsc(NC[C@@H]2CCN(C)C(=O)C2)c1-c1nn[n-]n1 ZINC001592488948 1167537399 /nfs/dbraw/zinc/53/73/99/1167537399.db2.gz DIBNHTIFYJSPGE-MRVPVSSYSA-N -1 1 307.383 0.912 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](O)COCC1CC1 ZINC001592501494 1167542352 /nfs/dbraw/zinc/54/23/52/1167542352.db2.gz GNSNSMMVCARAHP-SNVBAGLBSA-N -1 1 321.337 0.285 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](O)COCC1CC1 ZINC001592501494 1167542356 /nfs/dbraw/zinc/54/23/56/1167542356.db2.gz GNSNSMMVCARAHP-SNVBAGLBSA-N -1 1 321.337 0.285 20 0 DCADMM Cc1oncc1CNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001592517462 1167546596 /nfs/dbraw/zinc/54/65/96/1167546596.db2.gz QLUBSOOYSPJBCO-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1onc(CC(=O)Nc2ccn3ccnc3c2)c1-c1nn[n-]n1 ZINC001592517121 1167546935 /nfs/dbraw/zinc/54/69/35/1167546935.db2.gz UMCCCUWBTRBONH-UHFFFAOYSA-N -1 1 324.304 0.992 20 0 DCADMM Cc1onc(CC(=O)NC[C@H](C)c2ncon2)c1-c1nnn[n-]1 ZINC001592517801 1167547099 /nfs/dbraw/zinc/54/70/99/1167547099.db2.gz RRVRIUMTQSDRJV-LURJTMIESA-N -1 1 318.297 0.009 20 0 DCADMM Cc1onc(CC(=O)NC[C@H](C)c2ncon2)c1-c1nn[n-]n1 ZINC001592517801 1167547109 /nfs/dbraw/zinc/54/71/09/1167547109.db2.gz RRVRIUMTQSDRJV-LURJTMIESA-N -1 1 318.297 0.009 20 0 DCADMM Clc1cnn([C@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)c1 ZINC001592538283 1167550861 /nfs/dbraw/zinc/55/08/61/1167550861.db2.gz JUIUSRXHYDNZRP-VIFPVBQESA-N -1 1 317.744 0.958 20 0 DCADMM Cn1c(Cn2ccc(-c3nn[n-]n3)cc2=O)nnc1C1CCC1 ZINC001592553638 1167557259 /nfs/dbraw/zinc/55/72/59/1167557259.db2.gz HWZDTEGAKDZIDE-UHFFFAOYSA-N -1 1 312.337 0.473 20 0 DCADMM Cn1c(Cn2cnc(-c3nn[n-]n3)cc2=O)nc2ccccc21 ZINC001592553651 1167557466 /nfs/dbraw/zinc/55/74/66/1167557466.db2.gz IKISCRPKCUDBOU-UHFFFAOYSA-N -1 1 308.305 0.358 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC001592557119 1167559257 /nfs/dbraw/zinc/55/92/57/1167559257.db2.gz QGUGXRCHMNKLMJ-JTQLQIEISA-N -1 1 324.348 0.845 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC001592557119 1167559265 /nfs/dbraw/zinc/55/92/65/1167559265.db2.gz QGUGXRCHMNKLMJ-JTQLQIEISA-N -1 1 324.348 0.845 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C/C=C\c2ccccc2)c1=O ZINC001592558115 1167559330 /nfs/dbraw/zinc/55/93/30/1167559330.db2.gz OQRSWEIIUVPERN-YVMONPNESA-N -1 1 310.317 0.441 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCC2CCCC2)n(C)c1=O ZINC001592555472 1167559562 /nfs/dbraw/zinc/55/95/62/1167559562.db2.gz LMGGTOSTRBCHHB-UHFFFAOYSA-N -1 1 319.369 0.256 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC[C@H]2CCOC2)n1 ZINC001592559670 1167559796 /nfs/dbraw/zinc/55/97/96/1167559796.db2.gz FGNGOJRNTXFGMD-QMMMGPOBSA-N -1 1 306.330 0.148 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC[C@H]2CCOC2)n1 ZINC001592559670 1167559802 /nfs/dbraw/zinc/55/98/02/1167559802.db2.gz FGNGOJRNTXFGMD-QMMMGPOBSA-N -1 1 306.330 0.148 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2nnc3ccccc3n2)n1 ZINC001592559971 1167560695 /nfs/dbraw/zinc/56/06/95/1167560695.db2.gz JZOKMRWMXLKJIE-UHFFFAOYSA-N -1 1 322.292 0.191 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2nnc3ccccc3n2)n1 ZINC001592559971 1167560700 /nfs/dbraw/zinc/56/07/00/1167560700.db2.gz JZOKMRWMXLKJIE-UHFFFAOYSA-N -1 1 322.292 0.191 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccn(C(F)F)n2)n1 ZINC001592560210 1167561050 /nfs/dbraw/zinc/56/10/50/1167561050.db2.gz SIMJWZVVYHDLFK-UHFFFAOYSA-N -1 1 309.240 0.444 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccn(C(F)F)n2)n1 ZINC001592560210 1167561056 /nfs/dbraw/zinc/56/10/56/1167561056.db2.gz SIMJWZVVYHDLFK-UHFFFAOYSA-N -1 1 309.240 0.444 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC001592559822 1167561159 /nfs/dbraw/zinc/56/11/59/1167561159.db2.gz KUKCVYRLYGFFSM-OYNCUSHFSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC001592559822 1167561166 /nfs/dbraw/zinc/56/11/66/1167561166.db2.gz KUKCVYRLYGFFSM-OYNCUSHFSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1ccc(COc2ccc(F)nc2-c2nn[n-]n2)cc1=O ZINC001592580402 1167568362 /nfs/dbraw/zinc/56/83/62/1167568362.db2.gz GANFNIIGSOXWPL-UHFFFAOYSA-N -1 1 302.269 0.679 20 0 DCADMM Cn1cc(N2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)cn1 ZINC001592576259 1167569037 /nfs/dbraw/zinc/56/90/37/1167569037.db2.gz OGQXMSCRHVRRHE-UHFFFAOYSA-N -1 1 311.353 0.322 20 0 DCADMM Cn1cc(N2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)cn1 ZINC001592576259 1167569043 /nfs/dbraw/zinc/56/90/43/1167569043.db2.gz OGQXMSCRHVRRHE-UHFFFAOYSA-N -1 1 311.353 0.322 20 0 DCADMM Cn1ccnc1[C@@H]1N(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001592585130 1167570758 /nfs/dbraw/zinc/57/07/58/1167570758.db2.gz PJILNNUCJICWQK-NSHDSACASA-N -1 1 311.353 0.978 20 0 DCADMM Cn1ccnc1[C@@H]1N(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001592585130 1167570762 /nfs/dbraw/zinc/57/07/62/1167570762.db2.gz PJILNNUCJICWQK-NSHDSACASA-N -1 1 311.353 0.978 20 0 DCADMM FC1(F)C[C@H]2CN(c3cc(-c4nnn[n-]4)ncn3)CCN2C1 ZINC001592630282 1167585785 /nfs/dbraw/zinc/58/57/85/1167585785.db2.gz GIJHBUCLOVWKBM-QMMMGPOBSA-N -1 1 308.296 0.186 20 0 DCADMM FC1(F)C[C@H]2CN(c3cc(-c4nn[n-]n4)ncn3)CCN2C1 ZINC001592630282 1167585792 /nfs/dbraw/zinc/58/57/92/1167585792.db2.gz GIJHBUCLOVWKBM-QMMMGPOBSA-N -1 1 308.296 0.186 20 0 DCADMM FC(F)(F)CNC(=S)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592614309 1167586694 /nfs/dbraw/zinc/58/66/94/1167586694.db2.gz IZHKRNCLXFLLGE-UHFFFAOYSA-N -1 1 323.329 0.850 20 0 DCADMM FC(F)(F)[C@@H]1CCC[C@@H](Cn2cc(-c3nn[n-]n3)nn2)O1 ZINC001592613732 1167587537 /nfs/dbraw/zinc/58/75/37/1167587537.db2.gz JWMNVQNAXYBSQB-XPUUQOCRSA-N -1 1 303.248 0.958 20 0 DCADMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592719604 1167611948 /nfs/dbraw/zinc/61/19/48/1167611948.db2.gz FVAATFUNVVCBLS-JGVFFNPUSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592719604 1167611951 /nfs/dbraw/zinc/61/19/51/1167611951.db2.gz FVAATFUNVVCBLS-JGVFFNPUSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592722143 1167614489 /nfs/dbraw/zinc/61/44/89/1167614489.db2.gz WRWLEJXMNHASTI-BDAKNGLRSA-N -1 1 315.337 0.036 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592722143 1167614494 /nfs/dbraw/zinc/61/44/94/1167614494.db2.gz WRWLEJXMNHASTI-BDAKNGLRSA-N -1 1 315.337 0.036 20 0 DCADMM NC(=O)C[C@H]1CCCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001592726313 1167616872 /nfs/dbraw/zinc/61/68/72/1167616872.db2.gz SEBBEBPMAXZYPV-MRVPVSSYSA-N -1 1 320.378 0.656 20 0 DCADMM NC(=O)C[C@H]1CCCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001592726313 1167616876 /nfs/dbraw/zinc/61/68/76/1167616876.db2.gz SEBBEBPMAXZYPV-MRVPVSSYSA-N -1 1 320.378 0.656 20 0 DCADMM NC(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001592730239 1167618328 /nfs/dbraw/zinc/61/83/28/1167618328.db2.gz TXCSVIUYAQNBGR-UHFFFAOYSA-N -1 1 321.366 0.155 20 0 DCADMM NC(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001592730239 1167618330 /nfs/dbraw/zinc/61/83/30/1167618330.db2.gz TXCSVIUYAQNBGR-UHFFFAOYSA-N -1 1 321.366 0.155 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cnc2n1CCCCC2 ZINC001592752995 1167631669 /nfs/dbraw/zinc/63/16/69/1167631669.db2.gz MEQHYGWYPMGEQK-UHFFFAOYSA-N -1 1 313.325 0.257 20 0 DCADMM Nc1ncc2c(n1)CN(Cc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001592762696 1167638183 /nfs/dbraw/zinc/63/81/83/1167638183.db2.gz NNCSPGKXVAWPOZ-UHFFFAOYSA-N -1 1 309.337 0.192 20 0 DCADMM O=C(C[C@@H]1C=CCCC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592812582 1167644850 /nfs/dbraw/zinc/64/48/50/1167644850.db2.gz IVJUMJJYQVSCPM-SNVBAGLBSA-N -1 1 302.342 0.321 20 0 DCADMM O=C(CCOC[C@H]1CCCO1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592847433 1167650101 /nfs/dbraw/zinc/65/01/01/1167650101.db2.gz BFRFBIGNOCFXNF-MRVPVSSYSA-N -1 1 307.314 0.114 20 0 DCADMM O=C(CCc1cnccn1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592855761 1167650748 /nfs/dbraw/zinc/65/07/48/1167650748.db2.gz MQSNHNXGSYPIMI-UHFFFAOYSA-N -1 1 311.305 0.728 20 0 DCADMM O=C(CCc1cnccn1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592855761 1167650756 /nfs/dbraw/zinc/65/07/56/1167650756.db2.gz MQSNHNXGSYPIMI-UHFFFAOYSA-N -1 1 311.305 0.728 20 0 DCADMM O=C(CNc1c2ccccc2nnc1-c1nnn[n-]1)N1CCCC1 ZINC001592874859 1167652893 /nfs/dbraw/zinc/65/28/93/1167652893.db2.gz URNIADQSDJXAHO-UHFFFAOYSA-N -1 1 324.348 0.844 20 0 DCADMM O=C(CNc1c2ccccc2nnc1-c1nn[n-]n1)N1CCCC1 ZINC001592874859 1167652894 /nfs/dbraw/zinc/65/28/94/1167652894.db2.gz URNIADQSDJXAHO-UHFFFAOYSA-N -1 1 324.348 0.844 20 0 DCADMM O=C(COCC(F)F)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592886326 1167656980 /nfs/dbraw/zinc/65/69/80/1167656980.db2.gz DLFVARKFPMAEJZ-UHFFFAOYSA-N -1 1 324.291 0.823 20 0 DCADMM O=C(COCC(F)F)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592886326 1167656985 /nfs/dbraw/zinc/65/69/85/1167656985.db2.gz DLFVARKFPMAEJZ-UHFFFAOYSA-N -1 1 324.291 0.823 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1c1cn[nH]c1 ZINC001592913717 1167663176 /nfs/dbraw/zinc/66/31/76/1167663176.db2.gz OPPVFNOIOZXQBU-CYBMUJFWSA-N -1 1 324.348 0.891 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1c1cn[nH]c1 ZINC001592913717 1167663179 /nfs/dbraw/zinc/66/31/79/1167663179.db2.gz OPPVFNOIOZXQBU-CYBMUJFWSA-N -1 1 324.348 0.891 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1ccc(F)cn1 ZINC001592914140 1167663270 /nfs/dbraw/zinc/66/32/70/1167663270.db2.gz PMKZSWABCQDFES-UHFFFAOYSA-N -1 1 313.296 0.655 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1ccc(F)cn1 ZINC001592914140 1167663272 /nfs/dbraw/zinc/66/32/72/1167663272.db2.gz PMKZSWABCQDFES-UHFFFAOYSA-N -1 1 313.296 0.655 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC(C(F)(F)F)C1 ZINC001592914267 1167663656 /nfs/dbraw/zinc/66/36/56/1167663656.db2.gz ZVLXOFUONBLDOL-UHFFFAOYSA-N -1 1 312.255 0.825 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC(C(F)(F)F)C1 ZINC001592914267 1167663659 /nfs/dbraw/zinc/66/36/59/1167663659.db2.gz ZVLXOFUONBLDOL-UHFFFAOYSA-N -1 1 312.255 0.825 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H](CCO)C1CC1 ZINC001592914925 1167665980 /nfs/dbraw/zinc/66/59/80/1167665980.db2.gz IMFDYYBQCYJHJS-NSHDSACASA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H](CCO)C1CC1 ZINC001592914925 1167665983 /nfs/dbraw/zinc/66/59/83/1167665983.db2.gz IMFDYYBQCYJHJS-NSHDSACASA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O)c1cccs1 ZINC001592934374 1167668361 /nfs/dbraw/zinc/66/83/61/1167668361.db2.gz DVEVWIFWTAJZHU-UHFFFAOYSA-N -1 1 304.291 0.073 20 0 DCADMM O=C(N[C@@H](c1ncon1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001592954939 1167675145 /nfs/dbraw/zinc/67/51/45/1167675145.db2.gz JULSGQCXVRAPBQ-SNVBAGLBSA-N -1 1 312.293 0.526 20 0 DCADMM O=C(N[C@@H](c1ncon1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592954939 1167675146 /nfs/dbraw/zinc/67/51/46/1167675146.db2.gz JULSGQCXVRAPBQ-SNVBAGLBSA-N -1 1 312.293 0.526 20 0 DCADMM O=C(NC1CC1)[C@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001592967115 1167676352 /nfs/dbraw/zinc/67/63/52/1167676352.db2.gz IQPQEADHDBSOPE-VIFPVBQESA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1coc(-c2nnn[n-]2)c1 ZINC001592972277 1167677249 /nfs/dbraw/zinc/67/72/49/1167677249.db2.gz JMAJZFLJIXJTTA-UWVGGRQHSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1coc(-c2nn[n-]n2)c1 ZINC001592972277 1167677253 /nfs/dbraw/zinc/67/72/53/1167677253.db2.gz JMAJZFLJIXJTTA-UWVGGRQHSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@H]1CC(=O)N(CC2CC2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592965549 1167677359 /nfs/dbraw/zinc/67/73/59/1167677359.db2.gz LSBCBPNZOBHZTP-JTQLQIEISA-N -1 1 316.321 0.200 20 0 DCADMM O=C(N[C@H]1CC(=O)N(CC2CC2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592965549 1167677379 /nfs/dbraw/zinc/67/73/79/1167677379.db2.gz LSBCBPNZOBHZTP-JTQLQIEISA-N -1 1 316.321 0.200 20 0 DCADMM O=C(N[C@@H]1CCOC12CCOCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001592996165 1167682103 /nfs/dbraw/zinc/68/21/03/1167682103.db2.gz MBJUUFILRMCIIG-LLVKDONJSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@@H]1CCOC12CCOCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001592996165 1167682108 /nfs/dbraw/zinc/68/21/08/1167682108.db2.gz MBJUUFILRMCIIG-LLVKDONJSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(NC[C@H]1C=CCC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593022645 1167687878 /nfs/dbraw/zinc/68/78/78/1167687878.db2.gz BVEAYHQXQSYPKZ-VIFPVBQESA-N -1 1 313.321 0.283 20 0 DCADMM O=C(NC[C@H]1C=CCC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593022645 1167687886 /nfs/dbraw/zinc/68/78/86/1167687886.db2.gz BVEAYHQXQSYPKZ-VIFPVBQESA-N -1 1 313.321 0.283 20 0 DCADMM O=C(NCC1(CF)CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593015497 1167689190 /nfs/dbraw/zinc/68/91/90/1167689190.db2.gz CCNBFNHJOLUTDP-UHFFFAOYSA-N -1 1 320.328 0.758 20 0 DCADMM O=C(NCC1(CF)CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593015497 1167689198 /nfs/dbraw/zinc/68/91/98/1167689198.db2.gz CCNBFNHJOLUTDP-UHFFFAOYSA-N -1 1 320.328 0.758 20 0 DCADMM O=C(NC[C@H]1CC2(CCC2)CO1)c1cccc(-c2nnn[n-]2)n1 ZINC001593029313 1167690936 /nfs/dbraw/zinc/69/09/36/1167690936.db2.gz WFQLOACGEYWNNH-SNVBAGLBSA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NC[C@H]1CC2(CCC2)CO1)c1cccc(-c2nn[n-]n2)n1 ZINC001593029313 1167690940 /nfs/dbraw/zinc/69/09/40/1167690940.db2.gz WFQLOACGEYWNNH-SNVBAGLBSA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NC[C@H]1CC[C@@H](C2CC2)O1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593030029 1167691004 /nfs/dbraw/zinc/69/10/04/1167691004.db2.gz KOZAJEBTBIREIZ-YPMHNXCESA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@H]1CC[C@@H](C2CC2)O1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593030029 1167691007 /nfs/dbraw/zinc/69/10/07/1167691007.db2.gz KOZAJEBTBIREIZ-YPMHNXCESA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NCCCNc1cnc(-c2nnn[n-]2)cn1)[C@H]1CC1(F)F ZINC001593075756 1167696987 /nfs/dbraw/zinc/69/69/87/1167696987.db2.gz PEWCPMZVVGICEV-SSDOTTSWSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCCNc1cnc(-c2nn[n-]n2)cn1)[C@H]1CC1(F)F ZINC001593075756 1167696993 /nfs/dbraw/zinc/69/69/93/1167696993.db2.gz PEWCPMZVVGICEV-SSDOTTSWSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCC[C@@H]1CCOC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593066858 1167698875 /nfs/dbraw/zinc/69/88/75/1167698875.db2.gz PAXHPGRZHDRNSY-SNVBAGLBSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCC[C@@H]1CCOC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593066858 1167698885 /nfs/dbraw/zinc/69/88/85/1167698885.db2.gz PAXHPGRZHDRNSY-SNVBAGLBSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCN1CCOCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593085724 1167704381 /nfs/dbraw/zinc/70/43/81/1167704381.db2.gz BFHRRDVRTMBAGA-UHFFFAOYSA-N -1 1 320.328 0.068 20 0 DCADMM O=C(NCCN1CCOCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593085724 1167704388 /nfs/dbraw/zinc/70/43/88/1167704388.db2.gz BFHRRDVRTMBAGA-UHFFFAOYSA-N -1 1 320.328 0.068 20 0 DCADMM O=C(NCCn1ccnn1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593110422 1167711692 /nfs/dbraw/zinc/71/16/92/1167711692.db2.gz YHIFYGUGKPIOBV-UHFFFAOYSA-N -1 1 302.273 0.027 20 0 DCADMM O=C(NCCn1ccnn1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593110422 1167711696 /nfs/dbraw/zinc/71/16/96/1167711696.db2.gz YHIFYGUGKPIOBV-UHFFFAOYSA-N -1 1 302.273 0.027 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cnn2ccncc12 ZINC001593146650 1167722812 /nfs/dbraw/zinc/72/28/12/1167722812.db2.gz YIMNSUHMXLJINP-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cnn2ccncc12 ZINC001593146650 1167722819 /nfs/dbraw/zinc/72/28/19/1167722819.db2.gz YIMNSUHMXLJINP-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N1CCSCC1 ZINC001593150466 1167725892 /nfs/dbraw/zinc/72/58/92/1167725892.db2.gz JTXHDAGLKWUKLO-UHFFFAOYSA-N -1 1 311.396 0.582 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N1CCSCC1 ZINC001593150466 1167725897 /nfs/dbraw/zinc/72/58/97/1167725897.db2.gz JTXHDAGLKWUKLO-UHFFFAOYSA-N -1 1 311.396 0.582 20 0 DCADMM O=C(NCc1cnccn1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593148548 1167726404 /nfs/dbraw/zinc/72/64/04/1167726404.db2.gz MXRIDXBKLHVADB-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(N[C@@H](CO)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001593173209 1167731358 /nfs/dbraw/zinc/73/13/58/1167731358.db2.gz VYGMSPNKXUAUPZ-LURJTMIESA-N -1 1 307.257 0.581 20 0 DCADMM O=C(N[C@@H](CO)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001593173209 1167731366 /nfs/dbraw/zinc/73/13/66/1167731366.db2.gz VYGMSPNKXUAUPZ-LURJTMIESA-N -1 1 307.257 0.581 20 0 DCADMM O=C(N[C@H](CO)c1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593182025 1167731527 /nfs/dbraw/zinc/73/15/27/1167731527.db2.gz KTAFBVISDOKAHJ-CYBMUJFWSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(N[C@H](CO)c1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593182025 1167731533 /nfs/dbraw/zinc/73/15/33/1167731533.db2.gz KTAFBVISDOKAHJ-CYBMUJFWSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001593195426 1167733905 /nfs/dbraw/zinc/73/39/05/1167733905.db2.gz BVKJMEDKNIZETP-MRVPVSSYSA-N -1 1 303.326 0.975 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1c2nc[nH]c2ccc1F ZINC001593197906 1167734517 /nfs/dbraw/zinc/73/45/17/1167734517.db2.gz RLHWFEDEGGBZBQ-UHFFFAOYSA-N -1 1 313.256 0.858 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H](CO)CC1CCC1 ZINC001593243810 1167744189 /nfs/dbraw/zinc/74/41/89/1167744189.db2.gz ICAQOJYZFFOSNX-SNVBAGLBSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H](CO)CC1CCC1 ZINC001593243810 1167744192 /nfs/dbraw/zinc/74/41/92/1167744192.db2.gz ICAQOJYZFFOSNX-SNVBAGLBSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1Cc2cncn2C1 ZINC001593255412 1167746784 /nfs/dbraw/zinc/74/67/84/1167746784.db2.gz HEBYFZLIYDZZSM-SECBINFHSA-N -1 1 311.309 0.205 20 0 DCADMM O=C([O-])[C@]1([NH2+]Cc2cccc(-c3nn[n-]n3)n2)CCSC1 ZINC001593274929 1167751475 /nfs/dbraw/zinc/75/14/75/1167751475.db2.gz RZBCTHMHWPDFQY-LBPRGKRZSA-N -1 1 306.351 0.312 20 0 DCADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cnc2n[nH]nc2c1 ZINC001593302098 1167767948 /nfs/dbraw/zinc/76/79/48/1167767948.db2.gz VANMXZAZOSYCJY-UHFFFAOYSA-N -1 1 323.276 0.285 20 0 DCADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cnc2n[nH]nc2c1 ZINC001593302098 1167767953 /nfs/dbraw/zinc/76/79/53/1167767953.db2.gz VANMXZAZOSYCJY-UHFFFAOYSA-N -1 1 323.276 0.285 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(n2cccn2)CC1 ZINC001593337138 1167777740 /nfs/dbraw/zinc/77/77/40/1167777740.db2.gz QVQPEOMRMXQCIY-UHFFFAOYSA-N -1 1 324.348 0.936 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(n2cccn2)CC1 ZINC001593337138 1167777747 /nfs/dbraw/zinc/77/77/47/1167777747.db2.gz QVQPEOMRMXQCIY-UHFFFAOYSA-N -1 1 324.348 0.936 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@](O)(C2CC2)C1 ZINC001593336819 1167778256 /nfs/dbraw/zinc/77/82/56/1167778256.db2.gz DNZXXAACGNJHKH-CQSZACIVSA-N -1 1 300.322 0.249 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@](O)(C2CC2)C1 ZINC001593336819 1167778263 /nfs/dbraw/zinc/77/82/63/1167778263.db2.gz DNZXXAACGNJHKH-CQSZACIVSA-N -1 1 300.322 0.249 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC001593340165 1167781874 /nfs/dbraw/zinc/78/18/74/1167781874.db2.gz DKVOUXNUOYJFNA-QURMUULBSA-N -1 1 321.362 0.585 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC001593340165 1167781883 /nfs/dbraw/zinc/78/18/83/1167781883.db2.gz DKVOUXNUOYJFNA-QURMUULBSA-N -1 1 321.362 0.585 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCOC[C@@H]1C1CC1 ZINC001593349119 1167785719 /nfs/dbraw/zinc/78/57/19/1167785719.db2.gz ZBHYNPXCTPOYKS-GFCCVEGCSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCOC[C@@H]1C1CC1 ZINC001593349119 1167785728 /nfs/dbraw/zinc/78/57/28/1167785728.db2.gz ZBHYNPXCTPOYKS-GFCCVEGCSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1C[C@@H]2COC[C@@H]2C1 ZINC001593350693 1167785750 /nfs/dbraw/zinc/78/57/50/1167785750.db2.gz SSEXRMLWCKBSQR-DTORHVGOSA-N -1 1 303.297 0.724 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1C[C@@H]2COC[C@@H]2C1 ZINC001593350693 1167785752 /nfs/dbraw/zinc/78/57/52/1167785752.db2.gz SSEXRMLWCKBSQR-DTORHVGOSA-N -1 1 303.297 0.724 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCC2(C1)OCCO2 ZINC001593367584 1167786882 /nfs/dbraw/zinc/78/68/82/1167786882.db2.gz MPBKLAHCLZOLGP-UHFFFAOYSA-N -1 1 305.294 0.439 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCC2(C1)OCCO2 ZINC001593367584 1167786891 /nfs/dbraw/zinc/78/68/91/1167786891.db2.gz MPBKLAHCLZOLGP-UHFFFAOYSA-N -1 1 305.294 0.439 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCN(CC(F)F)CC1 ZINC001593369380 1167787650 /nfs/dbraw/zinc/78/76/50/1167787650.db2.gz JOLNORKOXXGBMC-UHFFFAOYSA-N -1 1 312.280 0.483 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCN(CC(F)F)CC1 ZINC001593369380 1167787653 /nfs/dbraw/zinc/78/76/53/1167787653.db2.gz JOLNORKOXXGBMC-UHFFFAOYSA-N -1 1 312.280 0.483 20 0 DCADMM O=C1CCCN1CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593392021 1167802934 /nfs/dbraw/zinc/80/29/34/1167802934.db2.gz CQUGXOPUNYICEY-UHFFFAOYSA-N -1 1 314.353 0.568 20 0 DCADMM O=C1CCCN1CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593392021 1167802947 /nfs/dbraw/zinc/80/29/47/1167802947.db2.gz CQUGXOPUNYICEY-UHFFFAOYSA-N -1 1 314.353 0.568 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC(=O)N2CCC[C@@H]21 ZINC001593395081 1167806222 /nfs/dbraw/zinc/80/62/22/1167806222.db2.gz NXVFNAHHLZRVEI-VIFPVBQESA-N -1 1 318.362 0.723 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC(=O)N2CCC[C@@H]21 ZINC001593395081 1167806228 /nfs/dbraw/zinc/80/62/28/1167806228.db2.gz NXVFNAHHLZRVEI-VIFPVBQESA-N -1 1 318.362 0.723 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(=O)CC12CCC2 ZINC001593395272 1167812674 /nfs/dbraw/zinc/81/26/74/1167812674.db2.gz YZXUMKWZUQWJCO-UHFFFAOYSA-N -1 1 312.333 0.990 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(=O)CC12CCC2 ZINC001593395272 1167812681 /nfs/dbraw/zinc/81/26/81/1167812681.db2.gz YZXUMKWZUQWJCO-UHFFFAOYSA-N -1 1 312.333 0.990 20 0 DCADMM O=C1CN(c2nccnc2-c2nnn[n-]2)Cc2ccccc2N1 ZINC001593399809 1167812701 /nfs/dbraw/zinc/81/27/01/1167812701.db2.gz XIABHHQTUTZIRQ-UHFFFAOYSA-N -1 1 308.305 0.615 20 0 DCADMM O=C1CN(c2nccnc2-c2nn[n-]n2)Cc2ccccc2N1 ZINC001593399809 1167812707 /nfs/dbraw/zinc/81/27/07/1167812707.db2.gz XIABHHQTUTZIRQ-UHFFFAOYSA-N -1 1 308.305 0.615 20 0 DCADMM O=C1OC[C@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@@H]12 ZINC001593413294 1167828774 /nfs/dbraw/zinc/82/87/74/1167828774.db2.gz PKVQQEVWQYOPBE-RNFRBKRXSA-N -1 1 306.713 0.524 20 0 DCADMM O=C1OC[C@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C[C@@H]12 ZINC001593413294 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C[C@]1(COC(=O)c2cccc(F)c2-c2nnn[n-]2)COC(=O)N1 ZINC001603807360 1169397942 /nfs/dbraw/zinc/39/79/42/1169397942.db2.gz BTYKFSQFYKMECU-ZDUSSCGKSA-N -1 1 321.268 0.661 20 0 DCADMM C[C@]1(COC(=O)c2cccc(F)c2-c2nn[n-]n2)COC(=O)N1 ZINC001603807360 1169397946 /nfs/dbraw/zinc/39/79/46/1169397946.db2.gz BTYKFSQFYKMECU-ZDUSSCGKSA-N -1 1 321.268 0.661 20 0 DCADMM C[C@]1(CO)CCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603808014 1169401007 /nfs/dbraw/zinc/40/10/07/1169401007.db2.gz JIWORPQQZFUOPT-AWEZNQCLSA-N -1 1 302.338 0.496 20 0 DCADMM C[C@]1(CO)CCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603808014 1169401011 /nfs/dbraw/zinc/40/10/11/1169401011.db2.gz JIWORPQQZFUOPT-AWEZNQCLSA-N -1 1 302.338 0.496 20 0 DCADMM C[C@@]1(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CCOC1=O ZINC001603814437 1169402698 /nfs/dbraw/zinc/40/26/98/1169402698.db2.gz MCKZVADOPKANBB-CYBMUJFWSA-N -1 1 323.259 0.580 20 0 DCADMM C[C@@]1(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CCOC1=O ZINC001603814437 1169402705 /nfs/dbraw/zinc/40/27/05/1169402705.db2.gz MCKZVADOPKANBB-CYBMUJFWSA-N -1 1 323.259 0.580 20 0 DCADMM CC1(OCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001603819544 1169404243 /nfs/dbraw/zinc/40/42/43/1169404243.db2.gz GEWBMVJQABUMIE-UHFFFAOYSA-N -1 1 302.338 0.837 20 0 DCADMM CC1(OCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001603819544 1169404248 /nfs/dbraw/zinc/40/42/48/1169404248.db2.gz GEWBMVJQABUMIE-UHFFFAOYSA-N -1 1 302.338 0.837 20 0 DCADMM CC1CC(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001603844229 1169409965 /nfs/dbraw/zinc/40/99/65/1169409965.db2.gz CAASZSPEFXRCIT-UHFFFAOYSA-N -1 1 302.342 0.231 20 0 DCADMM CC1CC(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001603844229 1169409970 /nfs/dbraw/zinc/40/99/70/1169409970.db2.gz CAASZSPEFXRCIT-UHFFFAOYSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@H](C(=O)N[C@@H]1CCS[C@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001603853969 1169412853 /nfs/dbraw/zinc/41/28/53/1169412853.db2.gz IBJOKUWQEMZAER-IWSPIJDZSA-N -1 1 322.398 0.420 20 0 DCADMM 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C[C@H]1COCCCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603946990 1169446621 /nfs/dbraw/zinc/44/66/21/1169446621.db2.gz FXCMGUVNOFPZRV-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM C[C@H]1COCCCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603946990 1169446627 /nfs/dbraw/zinc/44/66/27/1169446627.db2.gz FXCMGUVNOFPZRV-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM C[C@@H]1OCC[C@H]1COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603955745 1169451048 /nfs/dbraw/zinc/45/10/48/1169451048.db2.gz QRCVIQWPBWKKAM-ONGXEEELSA-N -1 1 303.322 0.772 20 0 DCADMM C[C@@H]1OCC[C@H]1COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603955745 1169451052 /nfs/dbraw/zinc/45/10/52/1169451052.db2.gz QRCVIQWPBWKKAM-ONGXEEELSA-N -1 1 303.322 0.772 20 0 DCADMM CCC(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001603968138 1169457781 /nfs/dbraw/zinc/45/77/81/1169457781.db2.gz WHAUVPCLQDPRKZ-WCBMZHEXSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001603968138 1169457785 /nfs/dbraw/zinc/45/77/85/1169457785.db2.gz 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CCC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603971985 1169460197 /nfs/dbraw/zinc/46/01/97/1169460197.db2.gz LHODDLNBDCMMPY-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001603974572 1169461229 /nfs/dbraw/zinc/46/12/29/1169461229.db2.gz LSFVGHAVOAZSSX-UTLUCORTSA-N -1 1 314.353 0.293 20 0 DCADMM CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001603974572 1169461232 /nfs/dbraw/zinc/46/12/32/1169461232.db2.gz LSFVGHAVOAZSSX-UTLUCORTSA-N -1 1 314.353 0.293 20 0 DCADMM CC[C@](C)(NC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)OC ZINC001603986431 1169463341 /nfs/dbraw/zinc/46/33/41/1169463341.db2.gz AELQWXFTZWDCIN-ZDUSSCGKSA-N -1 1 304.310 0.333 20 0 DCADMM CC[C@](C)(NC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)OC ZINC001603986431 1169463345 /nfs/dbraw/zinc/46/33/45/1169463345.db2.gz AELQWXFTZWDCIN-ZDUSSCGKSA-N -1 1 304.310 0.333 20 0 DCADMM CC[C@H](C)C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001603995848 1169467596 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Cc1[nH]nc(NC(=O)CCc2cncs2)c1-c1nn[n-]n1 ZINC001606013332 1170050207 /nfs/dbraw/zinc/05/02/07/1170050207.db2.gz MANFCNJKYDKODW-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nc(NC[C@H]2CCCCS2(=O)=O)cc(-c2nnn[n-]2)n1 ZINC001606069525 1170069986 /nfs/dbraw/zinc/06/99/86/1170069986.db2.gz KWPSIFNOBSYNIZ-SECBINFHSA-N -1 1 323.382 0.344 20 0 DCADMM Cc1nc(NC[C@H]2CCCCS2(=O)=O)cc(-c2nn[n-]n2)n1 ZINC001606069525 1170069994 /nfs/dbraw/zinc/06/99/94/1170069994.db2.gz KWPSIFNOBSYNIZ-SECBINFHSA-N -1 1 323.382 0.344 20 0 DCADMM Cc1nc2ccc(Cn3c(=O)[nH]cc(-c4nnn[n-]4)c3=O)cc2[nH]1 ZINC001606084134 1170072226 /nfs/dbraw/zinc/07/22/26/1170072226.db2.gz IEXFZDIJRWOQES-UHFFFAOYSA-N -1 1 324.304 0.362 20 0 DCADMM Cc1nc2cc(Cn3c(=O)[nH]cc(-c4nn[n-]n4)c3=O)ccc2[nH]1 ZINC001606084134 1170072232 /nfs/dbraw/zinc/07/22/32/1170072232.db2.gz IEXFZDIJRWOQES-UHFFFAOYSA-N -1 1 324.304 0.362 20 0 DCADMM Cc1nc2ccc(Cn3c(=O)[nH]cc(-c4nn[n-]n4)c3=O)cc2[nH]1 ZINC001606084134 1170072235 /nfs/dbraw/zinc/07/22/35/1170072235.db2.gz IEXFZDIJRWOQES-UHFFFAOYSA-N -1 1 324.304 0.362 20 0 DCADMM C[N@@H+](CCCOC(=O)NC(N)=O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001606122852 1170085526 /nfs/dbraw/zinc/08/55/26/1170085526.db2.gz ZTBWHMGRQRADSK-JTQLQIEISA-N -1 1 317.342 0.136 20 0 DCADMM Cc1noc(C)c1C(=O)COc1cnc(-c2nn[n-]n2)nc1 ZINC001606128520 1170085994 /nfs/dbraw/zinc/08/59/94/1170085994.db2.gz JKQFHBMHUPNTBL-UHFFFAOYSA-N -1 1 301.266 0.523 20 0 DCADMM Cc1nsc(N2CC(O)(c3nccn3C)C2)c1-c1nn[n-]n1 ZINC001606143710 1170093997 /nfs/dbraw/zinc/09/39/97/1170093997.db2.gz WHMRDHWHMMTXNL-UHFFFAOYSA-N -1 1 318.366 0.073 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC001606166299 1170096923 /nfs/dbraw/zinc/09/69/23/1170096923.db2.gz ALXVAHCXQADLIS-LDWIPMOCSA-N -1 1 304.310 0.023 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC001606166299 1170096931 /nfs/dbraw/zinc/09/69/31/1170096931.db2.gz ALXVAHCXQADLIS-LDWIPMOCSA-N -1 1 304.310 0.023 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCC(=O)NC1CC1 ZINC001606167710 1170101654 /nfs/dbraw/zinc/10/16/54/1170101654.db2.gz UQBKRXXSOAFOSI-UHFFFAOYSA-N -1 1 318.337 0.557 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCC(=O)NC1CC1 ZINC001606167710 1170101659 /nfs/dbraw/zinc/10/16/59/1170101659.db2.gz UQBKRXXSOAFOSI-UHFFFAOYSA-N -1 1 318.337 0.557 20 0 DCADMM Cn1c(CN2CCC3(CNC(=O)N3C)CC2)ccc1C(=O)[O-] ZINC001606194459 1170107674 /nfs/dbraw/zinc/10/76/74/1170107674.db2.gz OTMWCCIRYYZLMP-UHFFFAOYSA-N -1 1 306.366 0.713 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H](C(C)(C)O)C2)n1 ZINC001606223346 1170121656 /nfs/dbraw/zinc/12/16/56/1170121656.db2.gz NDTBPMHQBKFUSQ-MRVPVSSYSA-N -1 1 320.357 0.225 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H](C(C)(C)O)C2)n1 ZINC001606223346 1170121662 /nfs/dbraw/zinc/12/16/62/1170121662.db2.gz NDTBPMHQBKFUSQ-MRVPVSSYSA-N -1 1 320.357 0.225 20 0 DCADMM CN1CCC[C@H]1c1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)[nH]n1 ZINC001606227017 1170124145 /nfs/dbraw/zinc/12/41/45/1170124145.db2.gz NNJGPKHDJRVAPW-MFKMUULPSA-N -1 1 322.365 0.492 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])Cc2cnc(C3CC3)o2)CC1 ZINC001606241103 1170131895 /nfs/dbraw/zinc/13/18/95/1170131895.db2.gz HEGKSRIOKMXOAW-UHFFFAOYSA-N -1 1 322.409 0.686 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)C2CCCCC2)CC1 ZINC001606241551 1170132711 /nfs/dbraw/zinc/13/27/11/1170132711.db2.gz VYKSOLMDUHPDPS-UHFFFAOYSA-N -1 1 311.426 0.727 20 0 DCADMM CN[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cnn(C)c1 ZINC001606292907 1170152188 /nfs/dbraw/zinc/15/21/88/1170152188.db2.gz ZQUYNVXAOYWTFH-SMDDNHRTSA-N -1 1 308.382 0.784 20 0 DCADMM CNCc1cn([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)nn1 ZINC001606299100 1170154352 /nfs/dbraw/zinc/15/43/52/1170154352.db2.gz SFZGUUCWVWBQSY-JTQLQIEISA-N -1 1 317.349 0.573 20 0 DCADMM COC(=O)[C@H]1CN(Cc2cnn(C3CCC3)c2)C[C@H]1C(=O)[O-] ZINC001606431570 1170199049 /nfs/dbraw/zinc/19/90/49/1170199049.db2.gz UXPJUHMTOJVCQY-OLZOCXBDSA-N -1 1 307.350 0.914 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2nsnc2c1 ZINC001606446420 1170205988 /nfs/dbraw/zinc/20/59/88/1170205988.db2.gz ORMFCAJYUSSTSR-UHFFFAOYSA-N -1 1 313.306 0.339 20 0 DCADMM COC(=O)CC[C@H](C(=O)OC)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001606448093 1170206545 /nfs/dbraw/zinc/20/65/45/1170206545.db2.gz CRQDVMCZCCVDRD-GMTAPVOTSA-N -1 1 301.339 0.524 20 0 DCADMM Nc1ncncc1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001606456404 1170210482 /nfs/dbraw/zinc/21/04/82/1170210482.db2.gz QAZANEVRMKZZAR-UHFFFAOYSA-N -1 1 309.746 0.961 20 0 DCADMM Nc1nc(Cl)c(N)c(Oc2ccc(F)nc2-c2nn[n-]n2)n1 ZINC001606455928 1170211823 /nfs/dbraw/zinc/21/18/23/1170211823.db2.gz VVDMSBNZCRPMSJ-UHFFFAOYSA-N -1 1 323.679 0.801 20 0 DCADMM COC(=O)[C@@H](NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)C(C)C ZINC001606505084 1170221734 /nfs/dbraw/zinc/22/17/34/1170221734.db2.gz CIDMOGBISHNKRF-QWRGUYRKSA-N -1 1 302.371 0.389 20 0 DCADMM COC(=O)c1[nH]cc(C(=O)[O-])c1NS(=O)(=O)C[C@@H](C)OC ZINC001606520639 1170228488 /nfs/dbraw/zinc/22/84/88/1170228488.db2.gz JSYCPNJBAHZBAY-ZCFIWIBFSA-N -1 1 320.323 0.276 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC(c2ccccn2)C1 ZINC001606594022 1170238817 /nfs/dbraw/zinc/23/88/17/1170238817.db2.gz CNZVQYBBNNTQKZ-UHFFFAOYSA-N -1 1 321.344 0.825 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC(c2ccccn2)C1 ZINC001606594022 1170238820 /nfs/dbraw/zinc/23/88/20/1170238820.db2.gz CNZVQYBBNNTQKZ-UHFFFAOYSA-N -1 1 321.344 0.825 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001606595528 1170240797 /nfs/dbraw/zinc/24/07/97/1170240797.db2.gz YKCAICZLNZLNMH-PHIMTYICSA-N -1 1 300.322 0.194 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001606595528 1170240804 /nfs/dbraw/zinc/24/08/04/1170240804.db2.gz YKCAICZLNZLNMH-PHIMTYICSA-N -1 1 300.322 0.194 20 0 DCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1ccccc1F ZINC001606618820 1170243363 /nfs/dbraw/zinc/24/33/63/1170243363.db2.gz JFKZXKSWHGBRIE-UHFFFAOYSA-N -1 1 314.280 0.806 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O)NC1CC1 ZINC001606617521 1170243828 /nfs/dbraw/zinc/24/38/28/1170243828.db2.gz RMWYFOWXCJCCCJ-UHFFFAOYSA-N -1 1 310.317 0.460 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CCCC1(F)F ZINC001606621110 1170245155 /nfs/dbraw/zinc/24/51/55/1170245155.db2.gz YEEMBQQLGSQCNF-ZETCQYMHSA-N -1 1 312.284 0.010 20 0 DCADMM O=C(N[C@@H](CO)c1ccsc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606635870 1170249627 /nfs/dbraw/zinc/24/96/27/1170249627.db2.gz XYOJJGSCWGOMNG-NSHDSACASA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@@H](CO)c1ccsc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606635870 1170249632 /nfs/dbraw/zinc/24/96/32/1170249632.db2.gz XYOJJGSCWGOMNG-NSHDSACASA-N -1 1 316.346 0.787 20 0 DCADMM O=C(CNC(=O)c1ccnc(-c2nnn[n-]2)c1)c1cccs1 ZINC001606693566 1170263567 /nfs/dbraw/zinc/26/35/67/1170263567.db2.gz DRCWNODVSHVWJV-UHFFFAOYSA-N -1 1 314.330 0.936 20 0 DCADMM O=C(CNC(=O)c1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC001606693566 1170263572 /nfs/dbraw/zinc/26/35/72/1170263572.db2.gz DRCWNODVSHVWJV-UHFFFAOYSA-N -1 1 314.330 0.936 20 0 DCADMM COCC(=O)N(C)CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001606772617 1170284177 /nfs/dbraw/zinc/28/41/77/1170284177.db2.gz UOSMLXXEQYHVDY-UHFFFAOYSA-N -1 1 320.305 0.304 20 0 DCADMM COC[C@H](C)OC[C@@H](O)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001606798724 1170293303 /nfs/dbraw/zinc/29/33/03/1170293303.db2.gz SJWQMYYPBPNGGH-GUBZILKMSA-N -1 1 318.395 0.904 20 0 DCADMM O=C(NC[C@@H](O)Cc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606803973 1170295966 /nfs/dbraw/zinc/29/59/66/1170295966.db2.gz JGUORVMUNUSEGR-ZDUSSCGKSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(NC[C@@H](O)Cc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606803973 1170295972 /nfs/dbraw/zinc/29/59/72/1170295972.db2.gz JGUORVMUNUSEGR-ZDUSSCGKSA-N -1 1 324.344 0.595 20 0 DCADMM COC[C@@H](NC(=O)CSc1n[nH]c(=S)s1)C(=O)[O-] ZINC001606808800 1170297612 /nfs/dbraw/zinc/29/76/12/1170297612.db2.gz CXFJBHDRSJRVOZ-SCSAIBSYSA-N -1 1 309.394 0.135 20 0 DCADMM O=C([N-]N1CCc2ccccc2C1=O)c1coc(-c2nn[nH]n2)c1 ZINC001606850956 1170314133 /nfs/dbraw/zinc/31/41/33/1170314133.db2.gz VFCFBPFZPQOIOS-UHFFFAOYSA-N -1 1 324.300 0.803 20 0 DCADMM COCCS(=O)(=O)CCCN1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC001606920092 1170330673 /nfs/dbraw/zinc/33/06/73/1170330673.db2.gz VMAOPCLRUCONQD-RYUDHWBXSA-N -1 1 307.412 0.623 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@@H]2O1)c1ccc(-c2nn[n-]n2)o1 ZINC001606965267 1170342401 /nfs/dbraw/zinc/34/24/01/1170342401.db2.gz MGTHRIZPXBXOFM-LAEOZQHASA-N -1 1 306.278 0.420 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1C[C@@H](O)Cc2ccccc21 ZINC001607025837 1170359004 /nfs/dbraw/zinc/35/90/04/1170359004.db2.gz MKRRCNOCRZZMBE-LBPRGKRZSA-N -1 1 322.328 0.826 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1C[C@@H](O)Cc2ccccc21 ZINC001607025837 1170359010 /nfs/dbraw/zinc/35/90/10/1170359010.db2.gz MKRRCNOCRZZMBE-LBPRGKRZSA-N -1 1 322.328 0.826 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC001607030591 1170359754 /nfs/dbraw/zinc/35/97/54/1170359754.db2.gz JSOLIQNJFZYETH-BNJANLQDSA-N -1 1 321.362 0.585 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC001607030591 1170359756 /nfs/dbraw/zinc/35/97/56/1170359756.db2.gz JSOLIQNJFZYETH-BNJANLQDSA-N -1 1 321.362 0.585 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1C[C@H](O)CC(F)(F)C1 ZINC001607026529 1170359833 /nfs/dbraw/zinc/35/98/33/1170359833.db2.gz GUSHOCRCPBNMCR-ZCFIWIBFSA-N -1 1 315.305 0.770 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1C[C@H](O)CC(F)(F)C1 ZINC001607026529 1170359848 /nfs/dbraw/zinc/35/98/48/1170359848.db2.gz GUSHOCRCPBNMCR-ZCFIWIBFSA-N -1 1 315.305 0.770 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC2(CC1)COCCO2 ZINC001607030465 1170360128 /nfs/dbraw/zinc/36/01/28/1170360128.db2.gz DYEUAGBBDOVSKY-UHFFFAOYSA-N -1 1 319.321 0.481 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC2(CC1)COCCO2 ZINC001607030465 1170360132 /nfs/dbraw/zinc/36/01/32/1170360132.db2.gz DYEUAGBBDOVSKY-UHFFFAOYSA-N -1 1 319.321 0.481 20 0 DCADMM O=C(N[C@@H]1CCNC(=O)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001607044777 1170367890 /nfs/dbraw/zinc/36/78/90/1170367890.db2.gz XOYVYSHJKUPHBZ-QMMMGPOBSA-N -1 1 318.312 0.404 20 0 DCADMM O=C(N[C@@H]1CCNC(=O)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001607044777 1170367893 /nfs/dbraw/zinc/36/78/93/1170367893.db2.gz XOYVYSHJKUPHBZ-QMMMGPOBSA-N -1 1 318.312 0.404 20 0 DCADMM O=C1CC[C@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)O1 ZINC001607044438 1170368684 /nfs/dbraw/zinc/36/86/84/1170368684.db2.gz SASQCBZQJPNYMX-SECBINFHSA-N -1 1 311.301 0.887 20 0 DCADMM O=C1NCC[C@H]1CCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001607051207 1170369484 /nfs/dbraw/zinc/36/94/84/1170369484.db2.gz CTNYOZRFVGRLAZ-NSHDSACASA-N -1 1 324.348 0.651 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CNC(=O)c2ccccc21 ZINC001607049766 1170370434 /nfs/dbraw/zinc/37/04/34/1170370434.db2.gz JUOSADITRJURFL-SECBINFHSA-N -1 1 324.304 0.056 20 0 DCADMM COc1cc(F)c(S(=O)(=O)N[C@@H](CF)C(=O)[O-])c(F)c1 ZINC001607169703 1170412115 /nfs/dbraw/zinc/41/21/15/1170412115.db2.gz SIUBOPNSFNGDJN-QMMMGPOBSA-N -1 1 313.253 0.674 20 0 DCADMM O=S(=O)(CCC1CC1)Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001607057813 1170375332 /nfs/dbraw/zinc/37/53/32/1170375332.db2.gz KHGHSWSGNWZMCU-UHFFFAOYSA-N -1 1 313.314 0.910 20 0 DCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](F)C1 ZINC001607075518 1170380989 /nfs/dbraw/zinc/38/09/89/1170380989.db2.gz RNZFULWIYFZYDI-SSDOTTSWSA-N -1 1 315.305 0.738 20 0 DCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](F)C1 ZINC001607075518 1170380996 /nfs/dbraw/zinc/38/09/96/1170380996.db2.gz RNZFULWIYFZYDI-SSDOTTSWSA-N -1 1 315.305 0.738 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cccc2c1OCCO2 ZINC001607090046 1170386809 /nfs/dbraw/zinc/38/68/09/1170386809.db2.gz JFHKIKWUSSWTFO-UHFFFAOYSA-N -1 1 311.301 0.848 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccc2ncccc2c1 ZINC001607088842 1170387731 /nfs/dbraw/zinc/38/77/31/1170387731.db2.gz RYULWABLPHBPIT-UHFFFAOYSA-N -1 1 321.300 0.726 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CCCOC(F)(F)F ZINC001607088110 1170387901 /nfs/dbraw/zinc/38/79/01/1170387901.db2.gz CYMNPSPNTZHQLU-UHFFFAOYSA-N -1 1 306.204 0.056 20 0 DCADMM O[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]2CCCC[C@H]12 ZINC001607099143 1170393482 /nfs/dbraw/zinc/39/34/82/1170393482.db2.gz DXXZSYMJYRBCKE-HBNTYKKESA-N -1 1 301.354 0.787 20 0 DCADMM OC1(c2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)COC1 ZINC001607099216 1170393678 /nfs/dbraw/zinc/39/36/78/1170393678.db2.gz IGYKGBUKECNSET-UHFFFAOYSA-N -1 1 311.305 0.618 20 0 DCADMM OC1(c2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)COC1 ZINC001607099216 1170393689 /nfs/dbraw/zinc/39/36/89/1170393689.db2.gz IGYKGBUKECNSET-UHFFFAOYSA-N -1 1 311.305 0.618 20 0 DCADMM Oc1ccc2c(c1)OCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001607111535 1170401987 /nfs/dbraw/zinc/40/19/87/1170401987.db2.gz YWKVAHMDUZHTLD-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM c1cc(CNc2ncc3c(n2)CCOC3)nc(-c2nnn[n-]2)c1 ZINC001607118994 1170403507 /nfs/dbraw/zinc/40/35/07/1170403507.db2.gz HQNSZNCYKBTEIC-UHFFFAOYSA-N -1 1 310.321 0.737 20 0 DCADMM c1cc(CNc2ncc3c(n2)CCOC3)nc(-c2nn[n-]n2)c1 ZINC001607118994 1170403512 /nfs/dbraw/zinc/40/35/12/1170403512.db2.gz HQNSZNCYKBTEIC-UHFFFAOYSA-N -1 1 310.321 0.737 20 0 DCADMM c1cn(Cc2ccccc2)c(Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC001607130504 1170406949 /nfs/dbraw/zinc/40/69/49/1170406949.db2.gz YTLAGTZANUTMLV-UHFFFAOYSA-N -1 1 307.321 0.751 20 0 DCADMM c1ncc(-c2nnn[n-]2)nc1N[C@H]1CCOC2(CCOCC2)C1 ZINC001607138447 1170408674 /nfs/dbraw/zinc/40/86/74/1170408674.db2.gz FMMKQMSLMUVDIB-JTQLQIEISA-N -1 1 317.353 0.797 20 0 DCADMM c1ncc(-c2nn[n-]n2)nc1N[C@H]1CCOC2(CCOCC2)C1 ZINC001607138447 1170408675 /nfs/dbraw/zinc/40/86/75/1170408675.db2.gz FMMKQMSLMUVDIB-JTQLQIEISA-N -1 1 317.353 0.797 20 0 DCADMM COc1ccc([C@H](NC(=O)[C@@H](C)N(C)C)C(=O)[O-])c(OC)c1 ZINC001607229035 1170418130 /nfs/dbraw/zinc/41/81/30/1170418130.db2.gz HYUPDZKRIIGYJE-RNCFNFMXSA-N -1 1 310.350 0.896 20 0 DCADMM COc1ccc(CNC(=O)NCc2n[nH]c(C)n2)cc1C(=O)[O-] ZINC001607257735 1170420500 /nfs/dbraw/zinc/42/05/00/1170420500.db2.gz IVEXGOBJXORGFJ-UHFFFAOYSA-N -1 1 319.321 0.819 20 0 DCADMM COc1ccc(NC(=O)[C@@H]2CN3CCN2C[C@H]3C)c(C(=O)[O-])c1 ZINC001607272140 1170421782 /nfs/dbraw/zinc/42/17/82/1170421782.db2.gz WKZXHBIDXPJVCQ-YGRLFVJLSA-N -1 1 319.361 0.720 20 0 DCADMM COc1cccc(C[C@@H](N[C@H]2CCC(=O)NC2=O)C(=O)[O-])c1 ZINC001607318578 1170427646 /nfs/dbraw/zinc/42/76/46/1170427646.db2.gz CVSUCBJTLMEPLH-NWDGAFQWSA-N -1 1 306.318 0.086 20 0 DCADMM COc1cccc(CN2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1 ZINC001607322326 1170428741 /nfs/dbraw/zinc/42/87/41/1170428741.db2.gz ZAVUIRBSTPZDME-LSDHHAIUSA-N -1 1 318.373 0.964 20 0 DCADMM COc1cnc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c(F)c1 ZINC001607354080 1170433599 /nfs/dbraw/zinc/43/35/99/1170433599.db2.gz GALORJUAKZFOMS-VIFPVBQESA-N -1 1 311.313 0.318 20 0 DCADMM Cc1cc(CCC(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])n[nH]1 ZINC001607637592 1170487422 /nfs/dbraw/zinc/48/74/22/1170487422.db2.gz JIZNTPLJHBWQOU-CQSZACIVSA-N -1 1 305.338 0.507 20 0 DCADMM Cc1ccc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1C(=O)[O-] ZINC001607727920 1170500194 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302.334 0.958 20 0 DCADMM NC(=O)[C@@H]1CCCN1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001608240378 1170627078 /nfs/dbraw/zinc/62/70/78/1170627078.db2.gz YSWPUUZXNMDDAF-AAEUAGOBSA-N -1 1 308.334 0.074 20 0 DCADMM Nc1c(NC(=O)C2CN([C@@H]3CCOC3)C2)cccc1C(=O)[O-] ZINC001608270825 1170638996 /nfs/dbraw/zinc/63/89/96/1170638996.db2.gz OMPOGKKGDBZWFK-SNVBAGLBSA-N -1 1 305.334 0.626 20 0 DCADMM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)CCc1nc[nH]n1)CCO2 ZINC001608322716 1170649226 /nfs/dbraw/zinc/64/92/26/1170649226.db2.gz SFTPMVWRCQVRGL-XIRUVYRFSA-N -1 1 308.338 0.266 20 0 DCADMM O=C([O-])C1(NC(=O)CN2CC[C@H](CCCO)C2)CCCCC1 ZINC001608327684 1170650471 /nfs/dbraw/zinc/65/04/71/1170650471.db2.gz SFGOPLWAVIMPQX-ZDUSSCGKSA-N -1 1 312.410 0.985 20 0 DCADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)CN1CCCCCCC1=O ZINC001608331546 1170652038 /nfs/dbraw/zinc/65/20/38/1170652038.db2.gz RONZQYMXDBMAPO-GFCCVEGCSA-N -1 1 322.365 0.314 20 0 DCADMM O=C([O-])c1cccc2nc(NC(=O)CN3CCOC3=O)[nH]c21 ZINC001608334094 1170653437 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DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cccc2oc(=O)[nH]c21 ZINC001608486139 1170689046 /nfs/dbraw/zinc/68/90/46/1170689046.db2.gz UWINNQSLLZJGCW-VIFPVBQESA-N -1 1 316.273 0.682 20 0 DCADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1coc2c1C(=O)CCC2 ZINC001608486605 1170689181 /nfs/dbraw/zinc/68/91/81/1170689181.db2.gz BXSFWWWWXSOIAJ-SNVBAGLBSA-N -1 1 317.301 0.947 20 0 DCADMM O=C([O-])[C@H](c1cccnc1)N1CCN(CCCCCO)CC1 ZINC001608563764 1170703039 /nfs/dbraw/zinc/70/30/39/1170703039.db2.gz ZWEQRKXJQTZYMQ-HNNXBMFYSA-N -1 1 307.394 0.988 20 0 DCADMM O=C([O-])[C@@H]1CSCCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001608648084 1170731208 /nfs/dbraw/zinc/73/12/08/1170731208.db2.gz MQLJMLAWSSWBQA-VHSXEESVSA-N -1 1 324.406 0.726 20 0 DCADMM O=C([O-])CCNC(=O)CCNCc1cc2c(cc[nH]c2=O)o1 ZINC001608728707 1170745757 /nfs/dbraw/zinc/74/57/57/1170745757.db2.gz RHGRZGVMNSSYIT-UHFFFAOYSA-N -1 1 307.306 0.604 20 0 DCADMM O=C([O-])COCC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC001608756553 1170751336 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CC(=O)N1CCC[C@H](CNc2cccc(-c3nn[n-]n3)n2)C1 ZINC001609062645 1170796437 /nfs/dbraw/zinc/79/64/37/1170796437.db2.gz SCMFBWUKQPLHAF-LLVKDONJSA-N -1 1 301.354 0.932 20 0 DCADMM C[C@H](C(=O)N[C@@H](C)C(F)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001609070154 1170798824 /nfs/dbraw/zinc/79/88/24/1170798824.db2.gz JOXJEIMMLHMTAW-UHNVWZDZSA-N -1 1 304.236 0.086 20 0 DCADMM CC(C)(CNc1snc(Cl)c1-c1nnn[n-]1)C(N)=O ZINC001609084157 1170802840 /nfs/dbraw/zinc/80/28/40/1170802840.db2.gz LAJZQNDGEWDOJG-UHFFFAOYSA-N -1 1 301.763 0.900 20 0 DCADMM CC(C)(CNc1snc(Cl)c1-c1nn[n-]n1)C(N)=O ZINC001609084157 1170802842 /nfs/dbraw/zinc/80/28/42/1170802842.db2.gz LAJZQNDGEWDOJG-UHFFFAOYSA-N -1 1 301.763 0.900 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N1CCCCC1=O ZINC001609113828 1170814234 /nfs/dbraw/zinc/81/42/34/1170814234.db2.gz ISEYTJQPLARMIF-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N1CCCCC1=O ZINC001609113828 1170814241 /nfs/dbraw/zinc/81/42/41/1170814241.db2.gz ISEYTJQPLARMIF-SECBINFHSA-N 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1170833850 /nfs/dbraw/zinc/83/38/50/1170833850.db2.gz VPXOZDZZPTUEOC-NXEZZACHSA-N -1 1 304.358 0.668 20 0 DCADMM C[C@@H]1CCC[C@@]1(O)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609164880 1170834707 /nfs/dbraw/zinc/83/47/07/1170834707.db2.gz YPPLMGMQJPVZCI-YMTOWFKASA-N -1 1 317.353 0.934 20 0 DCADMM C[C@@H]1CCC[C@@]1(O)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609164880 1170834714 /nfs/dbraw/zinc/83/47/14/1170834714.db2.gz YPPLMGMQJPVZCI-YMTOWFKASA-N -1 1 317.353 0.934 20 0 DCADMM C[C@H](C(=O)N1[C@H](C)CCC1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001609161580 1170835270 /nfs/dbraw/zinc/83/52/70/1170835270.db2.gz WDOMIVHLLLGJEJ-RKDXNWHRSA-N -1 1 304.358 0.809 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H](C)[C@H](C)O1 ZINC001609171444 1170843003 /nfs/dbraw/zinc/84/30/03/1170843003.db2.gz HCWZKZLKMITKOH-UTLUCORTSA-N -1 1 302.338 0.900 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H](C)[C@H](C)O1 ZINC001609171444 1170843013 /nfs/dbraw/zinc/84/30/13/1170843013.db2.gz HCWZKZLKMITKOH-UTLUCORTSA-N 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1170862647 /nfs/dbraw/zinc/86/26/47/1170862647.db2.gz IMTCGNUPGHHVSA-KOLCDFICSA-N -1 1 302.338 0.901 20 0 DCADMM CCC1(O)CCN(Cn2cccc(-c3nn[n-]n3)c2=O)CC1 ZINC001609197959 1170864924 /nfs/dbraw/zinc/86/49/24/1170864924.db2.gz DQWZDAYPNKWMSN-UHFFFAOYSA-N -1 1 304.354 0.223 20 0 DCADMM CCCN(CC(N)=O)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609212608 1170872760 /nfs/dbraw/zinc/87/27/60/1170872760.db2.gz ASVCYGQCZBVIDX-UHFFFAOYSA-N -1 1 301.763 0.678 20 0 DCADMM CCCN(CC(N)=O)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609212608 1170872766 /nfs/dbraw/zinc/87/27/66/1170872766.db2.gz ASVCYGQCZBVIDX-UHFFFAOYSA-N -1 1 301.763 0.678 20 0 DCADMM CCCn1cc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)nn1 ZINC001609218408 1170873843 /nfs/dbraw/zinc/87/38/43/1170873843.db2.gz FCHKHZSRGGLBTN-UHFFFAOYSA-N -1 1 316.329 0.162 20 0 DCADMM CCCn1cc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)nn1 ZINC001609218408 1170873851 /nfs/dbraw/zinc/87/38/51/1170873851.db2.gz FCHKHZSRGGLBTN-UHFFFAOYSA-N -1 1 316.329 0.162 20 0 DCADMM CCOC1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001609238720 1170889076 /nfs/dbraw/zinc/88/90/76/1170889076.db2.gz REELDXZVUYFPGU-UHFFFAOYSA-N -1 1 323.378 0.588 20 0 DCADMM CCOC1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001609238720 1170889085 /nfs/dbraw/zinc/88/90/85/1170889085.db2.gz REELDXZVUYFPGU-UHFFFAOYSA-N -1 1 323.378 0.588 20 0 DCADMM CCn1cc(CC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cn1 ZINC001609258725 1170900714 /nfs/dbraw/zinc/90/07/14/1170900714.db2.gz HMBNNDQTZFVNLJ-UHFFFAOYSA-N -1 1 301.314 0.296 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCSC(C)(C)C)c1=O ZINC001609258239 1170900729 /nfs/dbraw/zinc/90/07/29/1170900729.db2.gz XXRZEGPFMWMZSB-UHFFFAOYSA-N -1 1 324.410 0.742 20 0 DCADMM CN(CCNc1cc(-c2nnn[n-]2)ncn1)CC(F)(F)F ZINC001609276186 1170906628 /nfs/dbraw/zinc/90/66/28/1170906628.db2.gz PFFCBZDVPRQTSE-UHFFFAOYSA-N -1 1 302.264 0.563 20 0 DCADMM CN(CCNc1cc(-c2nn[n-]n2)ncn1)CC(F)(F)F ZINC001609276186 1170906630 /nfs/dbraw/zinc/90/66/30/1170906630.db2.gz PFFCBZDVPRQTSE-UHFFFAOYSA-N -1 1 302.264 0.563 20 0 DCADMM COC(=O)C1(CNC(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001609294418 1170916512 /nfs/dbraw/zinc/91/65/12/1170916512.db2.gz KEMGZYVLDJJLHY-UHFFFAOYSA-N -1 1 307.335 0.611 20 0 DCADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001609297453 1170918757 /nfs/dbraw/zinc/91/87/57/1170918757.db2.gz OBGUSORSVSCKMM-QMMMGPOBSA-N -1 1 305.294 0.531 20 0 DCADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001609297453 1170918762 /nfs/dbraw/zinc/91/87/62/1170918762.db2.gz OBGUSORSVSCKMM-QMMMGPOBSA-N -1 1 305.294 0.531 20 0 DCADMM COC(=O)CC1(NC(=O)c2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001609298125 1170922967 /nfs/dbraw/zinc/92/29/67/1170922967.db2.gz JADFYWSFWPYOOK-UHFFFAOYSA-N -1 1 305.294 0.675 20 0 DCADMM COC(=O)CC1(NC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001609298125 1170922975 /nfs/dbraw/zinc/92/29/75/1170922975.db2.gz JADFYWSFWPYOOK-UHFFFAOYSA-N -1 1 305.294 0.675 20 0 DCADMM COC(=O)C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001609298335 1170923336 /nfs/dbraw/zinc/92/33/36/1170923336.db2.gz NOWJWKBFSPYRGL-JTQLQIEISA-N -1 1 307.310 0.224 20 0 DCADMM COC(=O)C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001609298335 1170923343 /nfs/dbraw/zinc/92/33/43/1170923343.db2.gz NOWJWKBFSPYRGL-JTQLQIEISA-N -1 1 307.310 0.224 20 0 DCADMM COC(=O)c1n[nH]cc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609306458 1170923918 /nfs/dbraw/zinc/92/39/18/1170923918.db2.gz LMPJOGZPETXRJP-UHFFFAOYSA-N -1 1 303.238 0.222 20 0 DCADMM CO[C@@H](C)CS(=O)(=O)Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001609308333 1170927974 /nfs/dbraw/zinc/92/79/74/1170927974.db2.gz JXUGUMYDLKSLHZ-LURJTMIESA-N -1 1 317.302 0.144 20 0 DCADMM COC[C@H]1CCN1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001609320991 1170935028 /nfs/dbraw/zinc/93/50/28/1170935028.db2.gz JZBJRWPRNYEPLX-SSDOTTSWSA-N -1 1 309.355 0.884 20 0 DCADMM COC[C@H]1CCN1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001609320991 1170935031 /nfs/dbraw/zinc/93/50/31/1170935031.db2.gz JZBJRWPRNYEPLX-SSDOTTSWSA-N -1 1 309.355 0.884 20 0 DCADMM C[C@H]1COC(C)(C)CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001609376283 1170954906 /nfs/dbraw/zinc/95/49/06/1170954906.db2.gz JLJRKOGOJZZAQE-QMMMGPOBSA-N -1 1 320.357 0.631 20 0 DCADMM C[C@H]1COC(C)(C)CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001609376283 1170954907 /nfs/dbraw/zinc/95/49/07/1170954907.db2.gz JLJRKOGOJZZAQE-QMMMGPOBSA-N -1 1 320.357 0.631 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCO ZINC001609378609 1170957692 /nfs/dbraw/zinc/95/76/92/1170957692.db2.gz SVYREDXUODPNKM-UHFFFAOYSA-N -1 1 307.310 0.052 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(C(F)F)no2)c1 ZINC001609386553 1170959874 /nfs/dbraw/zinc/95/98/74/1170959874.db2.gz OVMXVKBXEVERAV-UHFFFAOYSA-N -1 1 309.236 0.706 20 0 DCADMM Cc1cc(NCCNc2nc(C)cc(-c3nnn[n-]3)n2)n(C)n1 ZINC001609392024 1170963343 /nfs/dbraw/zinc/96/33/43/1170963343.db2.gz DGZFKMIMRJPVID-UHFFFAOYSA-N -1 1 314.357 0.531 20 0 DCADMM Cc1cc(NCCNc2nc(C)cc(-c3nn[n-]n3)n2)n(C)n1 ZINC001609392024 1170963348 /nfs/dbraw/zinc/96/33/48/1170963348.db2.gz DGZFKMIMRJPVID-UHFFFAOYSA-N -1 1 314.357 0.531 20 0 DCADMM Cc1ccc(N2C[C@H](C)O[C@@]3(CCOC3)C2)nc1-c1nnn[n-]1 ZINC001609425027 1170973996 /nfs/dbraw/zinc/97/39/96/1170973996.db2.gz UQKDTGMFBMEFQV-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2C[C@H](C)O[C@@]3(CCOC3)C2)nc1-c1nn[n-]n1 ZINC001609425027 1170974004 /nfs/dbraw/zinc/97/40/04/1170974004.db2.gz UQKDTGMFBMEFQV-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nc1-c1nnn[n-]1 ZINC001609425387 1170974865 /nfs/dbraw/zinc/97/48/65/1170974865.db2.gz MYRKPEMIJDDLIB-ZJUUUORDSA-N -1 1 315.337 0.505 20 0 DCADMM Cc1ccc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nc1-c1nn[n-]n1 ZINC001609425387 1170974872 /nfs/dbraw/zinc/97/48/72/1170974872.db2.gz MYRKPEMIJDDLIB-ZJUUUORDSA-N -1 1 315.337 0.505 20 0 DCADMM Cc1ccn(CN2CCSC[C@@H](C)C2)c(=O)c1-c1nn[n-]n1 ZINC001609437956 1170977390 /nfs/dbraw/zinc/97/73/90/1170977390.db2.gz JJVPFWHVBVFPLP-JTQLQIEISA-N -1 1 320.422 0.979 20 0 DCADMM Cc1cnn(CCC(=O)OCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001609441603 1170978806 /nfs/dbraw/zinc/97/88/06/1170978806.db2.gz MNROUGGVZMNCLU-UHFFFAOYSA-N -1 1 319.350 0.962 20 0 DCADMM Cc1cnn(CCC(=O)OCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001609441603 1170978816 /nfs/dbraw/zinc/97/88/16/1170978816.db2.gz MNROUGGVZMNCLU-UHFFFAOYSA-N -1 1 319.350 0.962 20 0 DCADMM Cc1[nH]nc(NC(=O)c2nnc3ccccc3n2)c1-c1nn[n-]n1 ZINC001609444624 1170979244 /nfs/dbraw/zinc/97/92/44/1170979244.db2.gz LFJSPHBQTMWDND-UHFFFAOYSA-N -1 1 322.292 0.489 20 0 DCADMM Clc1cnn([C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001609474679 1170988955 /nfs/dbraw/zinc/98/89/55/1170988955.db2.gz MVMUQJBKDANHGW-VIFPVBQESA-N -1 1 317.744 0.958 20 0 DCADMM Clc1cnn([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001609474679 1170988958 /nfs/dbraw/zinc/98/89/58/1170988958.db2.gz MVMUQJBKDANHGW-VIFPVBQESA-N -1 1 317.744 0.958 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001609477261 1170991507 /nfs/dbraw/zinc/99/15/07/1170991507.db2.gz JYJVBPKBGCZVAI-WEDXCCLWSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001609477261 1170991512 /nfs/dbraw/zinc/99/15/12/1170991512.db2.gz JYJVBPKBGCZVAI-WEDXCCLWSA-N -1 1 302.342 0.910 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCC1CCOCC1 ZINC001609510647 1171004818 /nfs/dbraw/zinc/00/48/18/1171004818.db2.gz YFKYTLFFJBUFRJ-UHFFFAOYSA-N -1 1 305.342 0.883 20 0 DCADMM O=C(C1CC1)[C@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001609515666 1171006633 /nfs/dbraw/zinc/00/66/33/1171006633.db2.gz QSTZIAXVPSILFR-CYBMUJFWSA-N -1 1 314.349 0.442 20 0 DCADMM O=C(C1CC1)[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001609515666 1171006639 /nfs/dbraw/zinc/00/66/39/1171006639.db2.gz QSTZIAXVPSILFR-CYBMUJFWSA-N -1 1 314.349 0.442 20 0 DCADMM O=C([C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1)N1CCCC1 ZINC001609516372 1171007222 /nfs/dbraw/zinc/00/72/22/1171007222.db2.gz CDGURYUPGFBUKG-NSHDSACASA-N -1 1 313.365 0.710 20 0 DCADMM O=C([C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1)N1CCCC1 ZINC001609516372 1171007229 /nfs/dbraw/zinc/00/72/29/1171007229.db2.gz CDGURYUPGFBUKG-NSHDSACASA-N -1 1 313.365 0.710 20 0 DCADMM O=C(NC[C@H]1Cc2ccccc2O1)c1cccc(-c2nnn[n-]2)n1 ZINC001609547268 1171016457 /nfs/dbraw/zinc/01/64/57/1171016457.db2.gz XSJDDXVXDRBVNN-LLVKDONJSA-N -1 1 322.328 0.995 20 0 DCADMM O=C(NC[C@H]1Cc2ccccc2O1)c1cccc(-c2nn[n-]n2)n1 ZINC001609547268 1171016464 /nfs/dbraw/zinc/01/64/64/1171016464.db2.gz XSJDDXVXDRBVNN-LLVKDONJSA-N -1 1 322.328 0.995 20 0 DCADMM O=C(NCCC1(CO)CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609547260 1171017322 /nfs/dbraw/zinc/01/73/22/1171017322.db2.gz XCHGJDQNLKCFSU-UHFFFAOYSA-N -1 1 303.326 0.546 20 0 DCADMM O=C(NCCC1(CO)CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609547260 1171017330 /nfs/dbraw/zinc/01/73/30/1171017330.db2.gz XCHGJDQNLKCFSU-UHFFFAOYSA-N -1 1 303.326 0.546 20 0 DCADMM O=C(Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1)c1cnco1 ZINC001609568415 1171022584 /nfs/dbraw/zinc/02/25/84/1171022584.db2.gz PPKBHYSBODQBGI-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(OCc1ncnn1CCF)c1ccc(-c2nn[n-]n2)o1 ZINC001609578148 1171026765 /nfs/dbraw/zinc/02/67/65/1171026765.db2.gz AZRQBTLXKTZCGT-UHFFFAOYSA-N -1 1 307.245 0.378 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCOC[C@@]12CCOC2 ZINC001609582061 1171029955 /nfs/dbraw/zinc/02/99/55/1171029955.db2.gz OUKZQSHHBILHCP-ZDUSSCGKSA-N -1 1 305.294 0.091 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCOC[C@@]12CCOC2 ZINC001609582061 1171029959 /nfs/dbraw/zinc/02/99/59/1171029959.db2.gz OUKZQSHHBILHCP-ZDUSSCGKSA-N -1 1 305.294 0.091 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001609581939 1171030143 /nfs/dbraw/zinc/03/01/43/1171030143.db2.gz KXSRRUIAUHHDNW-SKDRFNHKSA-N -1 1 319.321 0.480 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001609581939 1171030147 /nfs/dbraw/zinc/03/01/47/1171030147.db2.gz KXSRRUIAUHHDNW-SKDRFNHKSA-N -1 1 319.321 0.480 20 0 DCADMM O=S(=O)(NC/C=C\C1CC1)c1cccnc1-c1nn[n-]n1 ZINC001609595017 1171034073 /nfs/dbraw/zinc/03/40/73/1171034073.db2.gz 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Cc1nnc([C@H](C)N2CC(N(C)C(=O)c3ncccc3[O-])C2)o1 ZINC001042645708 751805302 /nfs/dbraw/zinc/80/53/02/751805302.db2.gz CMYSYZZROKQDJL-VIFPVBQESA-N -1 1 317.349 0.996 20 0 DCADMM CC(C)[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1 ZINC001042719814 751861997 /nfs/dbraw/zinc/86/19/97/751861997.db2.gz MRLBTYJBBZSQDV-NSHDSACASA-N -1 1 321.377 0.382 20 0 DCADMM C[C@@H]1OCC[C@H]1C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001167540364 747361340 /nfs/dbraw/zinc/36/13/40/747361340.db2.gz QSPCWONUAVUZPS-WDEREUQCSA-N -1 1 323.397 0.311 20 0 DCADMM Cc1n[nH]c(C(=O)NCCNCc2ccncc2Cl)c1[O-] ZINC001125728816 747542026 /nfs/dbraw/zinc/54/20/26/747542026.db2.gz OBCXRPDVTIRTOT-UHFFFAOYSA-N -1 1 309.757 0.992 20 0 DCADMM CCCC[C@H](C(N)=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001112783950 761918760 /nfs/dbraw/zinc/91/87/60/761918760.db2.gz JOTWAHXSHHCXPC-GFCCVEGCSA-N -1 1 320.393 0.589 20 0 DCADMM C[C@H]1CC[C@H](NC(=O)C2(C)CC2)CN1Cc1nc(=O)n(C)[n-]1 ZINC001071521853 761925680 /nfs/dbraw/zinc/92/56/80/761925680.db2.gz 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CN(C(=O)[C@@H]1CCC(C)(C)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001043785566 752389050 /nfs/dbraw/zinc/38/90/50/752389050.db2.gz XKVAQYAZTPBZFZ-LLVKDONJSA-N -1 1 321.425 0.577 20 0 DCADMM O=C(CC(F)(F)F)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044950105 752951972 /nfs/dbraw/zinc/95/19/72/752951972.db2.gz WYRNUYUOBHSOIC-ZETCQYMHSA-N -1 1 307.276 0.543 20 0 DCADMM O=C([C@@H]1CCCOC1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044952590 752953383 /nfs/dbraw/zinc/95/33/83/752953383.db2.gz CQSBNWCILZDKDW-MNOVXSKESA-N -1 1 309.370 0.018 20 0 DCADMM O=C(CCc1ccoc1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044987686 752979387 /nfs/dbraw/zinc/97/93/87/752979387.db2.gz XBFVRRVWHYHOOU-LBPRGKRZSA-N -1 1 319.365 0.817 20 0 DCADMM O=C(c1ncccc1[O-])N1CCC[C@H]1C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001045008767 752992767 /nfs/dbraw/zinc/99/27/67/752992767.db2.gz QLVBFBRPAMCSBJ-VIFPVBQESA-N -1 1 318.337 0.005 20 0 DCADMM C[C@@H](CCNC(=O)[C@]1(C)CCOC1)NC(=O)c1ncccc1[O-] ZINC001078038340 753000793 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Cc1coc(C(=O)N[C@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)c1 ZINC001046560543 753792694 /nfs/dbraw/zinc/79/26/94/753792694.db2.gz OYBXYIFXCWDZAW-OAHLLOKOSA-N -1 1 319.365 0.404 20 0 DCADMM COC(=O)c1nc2nc(NC[C@H]3CC(=O)N(C)C3)ccc2[nH]1 ZINC001168727622 753884678 /nfs/dbraw/zinc/88/46/78/753884678.db2.gz TWVWZNDUHNBUAP-MRVPVSSYSA-N -1 1 303.322 0.635 20 0 DCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2)c1cocn1 ZINC001047038345 754071147 /nfs/dbraw/zinc/07/11/47/754071147.db2.gz UOMBUPXXVGXHTE-GUBZILKMSA-N -1 1 318.337 0.281 20 0 DCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2)C1CC=CC1 ZINC001047043060 754071889 /nfs/dbraw/zinc/07/18/89/754071889.db2.gz QGGRXTQPSQRRCZ-DRZSPHRISA-N -1 1 317.393 0.946 20 0 DCADMM CCOC(=O)c1c[n-]c(NC(=O)c2nc3ncc(C)cn3n2)n1 ZINC001128847628 754328809 /nfs/dbraw/zinc/32/88/09/754328809.db2.gz SZYAQJAFAZRCMP-UHFFFAOYSA-N -1 1 315.293 0.585 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]3[C@H]2CCCN3C(=O)C2CCC2)nc1=O ZINC001049278109 755214855 /nfs/dbraw/zinc/21/48/55/755214855.db2.gz ZNLGBYLDQDWNDK-CHWSQXEVSA-N -1 1 319.409 0.474 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1cnc(F)cn1 ZINC001113575529 762402384 /nfs/dbraw/zinc/40/23/84/762402384.db2.gz WZIJIWRGLFJNLY-VIFPVBQESA-N -1 1 305.313 0.971 20 0 DCADMM Cc1ccoc1C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054388705 756467942 /nfs/dbraw/zinc/46/79/42/756467942.db2.gz WWNIMBCZUIFFAH-NXEZZACHSA-N -1 1 305.338 0.662 20 0 DCADMM Cc1ccoc1C(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054388708 756468096 /nfs/dbraw/zinc/46/80/96/756468096.db2.gz WWNIMBCZUIFFAH-ZJUUUORDSA-N -1 1 305.338 0.662 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054579545 756548765 /nfs/dbraw/zinc/54/87/65/756548765.db2.gz HRUDYZWOYQIAPX-PWSUYJOCSA-N -1 1 316.365 0.085 20 0 DCADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054649462 756598937 /nfs/dbraw/zinc/59/89/37/756598937.db2.gz IEBFVHRMQADLSG-YUMQZZPRSA-N -1 1 315.324 0.492 20 0 DCADMM C/C=C(\C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001081391407 756610187 /nfs/dbraw/zinc/61/01/87/756610187.db2.gz MCMCLHVJMARETI-OBUZQMMYSA-N -1 1 319.361 0.303 20 0 DCADMM CCc1n[nH]cc1C(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054842987 756651860 /nfs/dbraw/zinc/65/18/60/756651860.db2.gz ZNXJCLWKMKNRFK-KCJUWKMLSA-N -1 1 319.369 0.046 20 0 DCADMM CCC(=O)N[C@@]1(CO)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001055660805 756846176 /nfs/dbraw/zinc/84/61/76/756846176.db2.gz DWVNZGFHXLXNIC-HNNXBMFYSA-N -1 1 307.350 0.281 20 0 DCADMM C[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082421922 757124394 /nfs/dbraw/zinc/12/43/94/757124394.db2.gz MWBBAFFYTCPCDG-IJLUTSLNSA-N -1 1 305.382 0.803 20 0 DCADMM C[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082469042 757139511 /nfs/dbraw/zinc/13/95/11/757139511.db2.gz PTURHCRZWLQBLR-GRYCIOLGSA-N -1 1 323.397 0.264 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)C(C)(F)F ZINC001082747748 757235960 /nfs/dbraw/zinc/23/59/60/757235960.db2.gz HZLGOEKPCGCRIN-HRDYMLBCSA-N -1 1 317.340 0.738 20 0 DCADMM CC1(C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1ncccc1[O-] ZINC001057410538 757734651 /nfs/dbraw/zinc/73/46/51/757734651.db2.gz RGYHYRPFFABGKY-LLVKDONJSA-N -1 1 321.377 0.384 20 0 DCADMM COC(=O)Cc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)ccn1 ZINC001170228908 762582516 /nfs/dbraw/zinc/58/25/16/762582516.db2.gz NYLYSIMAVJNGEM-UHFFFAOYSA-N -1 1 300.278 0.913 20 0 DCADMM Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(=O)[n-]2)cn1 ZINC001085129372 758224642 /nfs/dbraw/zinc/22/46/42/758224642.db2.gz LDQJQCKOPROYRE-GHMZBOCLSA-N -1 1 319.369 0.075 20 0 DCADMM CO[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065928929 758630963 /nfs/dbraw/zinc/63/09/63/758630963.db2.gz UPXYMMHUTWRIAY-RYUDHWBXSA-N -1 1 321.377 0.933 20 0 DCADMM O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)[C@]12C[C@H]1COC2 ZINC001085206267 758755029 /nfs/dbraw/zinc/75/50/29/758755029.db2.gz JDSWSHMNSICQGF-SQYUCLKFSA-N -1 1 321.381 0.064 20 0 DCADMM O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)c1ccncn1 ZINC001085367761 758836459 /nfs/dbraw/zinc/83/64/59/758836459.db2.gz MTDYNYQQWPXZGU-NXEZZACHSA-N -1 1 317.353 0.131 20 0 DCADMM CC[C@H](C(N)=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001085561951 759043731 /nfs/dbraw/zinc/04/37/31/759043731.db2.gz ZOBRDIXPOAWDHL-WDEREUQCSA-N -1 1 306.366 0.197 20 0 DCADMM CN(C[C@@H]1CCN1Cc1cnn(C)c1)C(=O)c1ncccc1[O-] ZINC001085562613 759059160 /nfs/dbraw/zinc/05/91/60/759059160.db2.gz PLVNTXMYTPEPKZ-ZDUSSCGKSA-N -1 1 315.377 0.867 20 0 DCADMM Cc1coc(C(=O)N(C)C[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)c1 ZINC001085775760 759294248 /nfs/dbraw/zinc/29/42/48/759294248.db2.gz AQSDSNPVDUEMER-LLVKDONJSA-N -1 1 319.365 0.356 20 0 DCADMM CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1CCC1(C)C ZINC001085775259 759294608 /nfs/dbraw/zinc/29/46/08/759294608.db2.gz SRMVPOGFEVNBEC-VXGBXAGGSA-N -1 1 321.425 0.577 20 0 DCADMM CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)C1CC2(CC2)C1 ZINC001085809494 759338236 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320.309 0.253 20 0 DCADMM O=C(NC1(CCO)CN(CC2CCC2)C1)c1ncccc1[O-] ZINC001422621643 1010413787 /nfs/dbraw/zinc/41/37/87/1010413787.db2.gz MZCUOUXJDQACHI-UHFFFAOYSA-N -1 1 305.378 0.754 20 0 DCADMM COc1cc(S(=O)(=O)[N-][C@@H](C)Cc2cnn(C)c2)sn1 ZINC001475303375 1017090204 /nfs/dbraw/zinc/09/02/04/1017090204.db2.gz FZOZAUCUBCPPQZ-QMMMGPOBSA-N -1 1 316.408 0.795 20 0 DCADMM Cc1cc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)on1 ZINC001477688449 1017299436 /nfs/dbraw/zinc/29/94/36/1017299436.db2.gz LWTDSPKIGZUFDS-UHFFFAOYSA-N -1 1 319.321 0.551 20 0 DCADMM CCCC[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ncccc1[O-] ZINC001444150661 1010883666 /nfs/dbraw/zinc/88/36/66/1010883666.db2.gz HBLUUSOCTGOZLQ-NWDGAFQWSA-N -1 1 323.393 0.820 20 0 DCADMM CCCC(C)(C)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001423112754 1010897751 /nfs/dbraw/zinc/89/77/51/1010897751.db2.gz MNPDUHNROLJFIO-NSHDSACASA-N -1 1 309.414 0.625 20 0 DCADMM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)CCCc2nn[n-]n2)C1 ZINC001444203467 1010904951 /nfs/dbraw/zinc/90/49/51/1010904951.db2.gz ATRFRLDXRXOCRT-GHMZBOCLSA-N -1 1 308.386 0.286 20 0 DCADMM COc1ccc(Cn2nnc(C(=O)Nc3nn[n-]n3)c2C)cc1 ZINC001444620931 1011097502 /nfs/dbraw/zinc/09/75/02/1011097502.db2.gz ISBOXAARAYDMPV-UHFFFAOYSA-N -1 1 314.309 0.409 20 0 DCADMM CC[C@H](SC)C(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C(C)C ZINC001444854443 1011188462 /nfs/dbraw/zinc/18/84/62/1011188462.db2.gz DIXSCYCHJAKCJJ-ZJUUUORDSA-N -1 1 315.443 0.882 20 0 DCADMM COCC1(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC001456344606 1011210826 /nfs/dbraw/zinc/21/08/26/1011210826.db2.gz LVJCTPDVOZJPRS-UHFFFAOYSA-N -1 1 319.361 0.545 20 0 DCADMM CCC[C@H](C)CC(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1 ZINC001444976731 1011282191 /nfs/dbraw/zinc/28/21/91/1011282191.db2.gz WNJKJVCEZZTJJV-LBPRGKRZSA-N -1 1 311.430 0.825 20 0 DCADMM CO[C@H](CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C(C)C ZINC001478018968 1017319136 /nfs/dbraw/zinc/31/91/36/1017319136.db2.gz OWAVXZKVALZMJR-GFCCVEGCSA-N -1 1 324.381 0.725 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1cn[nH]c1 ZINC001431612752 1011465093 /nfs/dbraw/zinc/46/50/93/1011465093.db2.gz YSTKGGGZPOFIQA-UHFFFAOYSA-N -1 1 303.322 0.402 20 0 DCADMM CC[C@@H](CNC(=O)Cc1cnoc1)NC(=O)c1ncccc1[O-] ZINC001456917353 1011521210 /nfs/dbraw/zinc/52/12/10/1011521210.db2.gz OLJVKGXPPAERLR-NSHDSACASA-N -1 1 318.333 0.643 20 0 DCADMM COc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(N)=O)sn1 ZINC001423816080 1011600517 /nfs/dbraw/zinc/60/05/17/1011600517.db2.gz SDHFCUPJUCIOEK-SFYZADRCSA-N -1 1 319.408 0.474 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCOCC1 ZINC001431805138 1011667771 /nfs/dbraw/zinc/66/77/71/1011667771.db2.gz YDBHVJMBBYUPPR-RYUDHWBXSA-N -1 1 321.377 0.838 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)C1=CCOCC1 ZINC001457336332 1011676588 /nfs/dbraw/zinc/67/65/88/1011676588.db2.gz ZJMWSTXHFDJKNP-NSHDSACASA-N -1 1 319.361 0.616 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cnn(C2CCC2)c1 ZINC001445363155 1011696669 /nfs/dbraw/zinc/69/66/69/1011696669.db2.gz HAHMIDAWOKKPKK-SECBINFHSA-N -1 1 319.369 0.340 20 0 DCADMM O=S(=O)([N-][C@@H](CO)[C@@H]1CCOC1)c1ccc(C(F)F)o1 ZINC001423893622 1011697904 /nfs/dbraw/zinc/69/79/04/1011697904.db2.gz IJCWPEKQKYPVCD-SFYZADRCSA-N -1 1 311.306 0.893 20 0 DCADMM O=C(NCCN(C(=O)c1ncccc1[O-])C1CC1)[C@@H]1CCCO1 ZINC001431847924 1011704034 /nfs/dbraw/zinc/70/40/34/1011704034.db2.gz BNZXOTDCFMZELD-ZDUSSCGKSA-N -1 1 319.361 0.687 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N(C)CC2CCOCC2)[n-]n1 ZINC001423902450 1011711542 /nfs/dbraw/zinc/71/15/42/1011711542.db2.gz MJPUODZDSPYGQA-UHFFFAOYSA-N -1 1 317.367 0.243 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N(C)CC2CCOCC2)n[n-]1 ZINC001423902450 1011711549 /nfs/dbraw/zinc/71/15/49/1011711549.db2.gz MJPUODZDSPYGQA-UHFFFAOYSA-N -1 1 317.367 0.243 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C(C)(C)c1cccnc1 ZINC001445398826 1011731367 /nfs/dbraw/zinc/73/13/67/1011731367.db2.gz OVDCCCWJZPFCFI-SNVBAGLBSA-N -1 1 318.381 0.477 20 0 DCADMM CC(C)(C)C(=O)Nc1ccc(C(=O)NN2CC(=O)[N-]C2=O)cn1 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314.367 0.494 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cccnc1C1CC1 ZINC001445583818 1011961448 /nfs/dbraw/zinc/96/14/48/1011961448.db2.gz OQANJBIYKVTGCO-VIFPVBQESA-N -1 1 316.365 0.691 20 0 DCADMM C[C@@H](CNC(=O)C1=CCOCC1)N(C)C(=O)c1ncccc1[O-] ZINC001424101334 1011997716 /nfs/dbraw/zinc/99/77/16/1011997716.db2.gz DGMPLLSNRZYUCL-NSHDSACASA-N -1 1 319.361 0.711 20 0 DCADMM C[C@H](C(=O)NCC1(NC(=O)c2cnn[nH]2)CC1)c1ccco1 ZINC001535981764 1012011116 /nfs/dbraw/zinc/01/11/16/1012011116.db2.gz DRRWZLSGDQWXQK-VIFPVBQESA-N -1 1 303.322 0.580 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NCc2ccc(C)cn2)[n-]n1 ZINC001475431191 1017107136 /nfs/dbraw/zinc/10/71/36/1017107136.db2.gz GMUBLGNBIDBCKF-UHFFFAOYSA-N -1 1 310.335 0.378 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NCc2ccc(C)cn2)n[n-]1 ZINC001475431191 1017107142 /nfs/dbraw/zinc/10/71/42/1017107142.db2.gz GMUBLGNBIDBCKF-UHFFFAOYSA-N -1 1 310.335 0.378 20 0 DCADMM C[C@H]1CO[C@H](C(=O)NCC2(NC(=O)c3ncccc3[O-])CC2)C1 ZINC001432265865 1012227144 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Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCNC(=O)c1ccco1 ZINC001540645282 1012458532 /nfs/dbraw/zinc/45/85/32/1012458532.db2.gz RMCWOVIXGZSGSB-UHFFFAOYSA-N -1 1 322.346 0.532 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]2CNC(=O)CCC2(C)CC2)nc1=O ZINC001446120119 1012614405 /nfs/dbraw/zinc/61/44/05/1012614405.db2.gz YQNZUDJZHIKVLL-LLVKDONJSA-N -1 1 307.398 0.379 20 0 DCADMM Cn1nccc1[C@H]1NC(=O)CC[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC001548493554 1012660407 /nfs/dbraw/zinc/66/04/07/1012660407.db2.gz PMNRTLXKLQQXKA-MUWHJKNJSA-N -1 1 322.262 0.756 20 0 DCADMM CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncccc2O)C[C@H]1C ZINC001424566801 1012661280 /nfs/dbraw/zinc/66/12/80/1012661280.db2.gz QHKIXELEKJSGGZ-NEPJUHHUSA-N -1 1 320.393 0.506 20 0 DCADMM O=C([C@H]1CC(c2ccccc2)=NO1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548499375 1012665253 /nfs/dbraw/zinc/66/52/53/1012665253.db2.gz JMEQPVSMTFLVJX-DGCLKSJQSA-N -1 1 312.333 0.709 20 0 DCADMM CN(CC(=O)N1CC[C@@H](c2nn[n-]n2)C1)C(=O)c1ccccc1 ZINC001548499254 1012664962 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O=C(c1cc2c(o1)CCCC2)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001548643713 1012871886 /nfs/dbraw/zinc/87/18/86/1012871886.db2.gz RCTCNLAXLCOGJP-LBPRGKRZSA-N -1 1 303.322 0.885 20 0 DCADMM CC[C@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1ncccc1[O-] ZINC001432802071 1012912249 /nfs/dbraw/zinc/91/22/49/1012912249.db2.gz GTYDKBZNZAMRIO-SNVBAGLBSA-N -1 1 317.349 0.378 20 0 DCADMM C[C@@H](CNC(=O)c1ccccn1)CNC(=O)c1ncccc1[O-] ZINC001432926956 1013008534 /nfs/dbraw/zinc/00/85/34/1013008534.db2.gz GQRRBWXULLMOBD-NSHDSACASA-N -1 1 314.345 0.978 20 0 DCADMM Cc1ccc(S(=O)(=O)CCC(=O)N(C)c2nn[n-]n2)cc1 ZINC001461562892 1013029574 /nfs/dbraw/zinc/02/95/74/1013029574.db2.gz DAOLFDZKCDWKMN-UHFFFAOYSA-N -1 1 309.351 0.335 20 0 DCADMM O=S(=O)([N-]CCNc1ncccn1)c1ccc(F)nc1F ZINC001475651769 1017131980 /nfs/dbraw/zinc/13/19/80/1017131980.db2.gz XSGNFOXIRRLNBY-UHFFFAOYSA-N -1 1 315.305 0.540 20 0 DCADMM Cc1n[nH]cc1C(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001508995312 1017133709 /nfs/dbraw/zinc/13/37/09/1017133709.db2.gz RFGPWDZUVBZMRX-VIFPVBQESA-N -1 1 317.349 0.709 20 0 DCADMM CN(C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@H]1CC(C)(C)OC1=O ZINC001476503532 1017200397 /nfs/dbraw/zinc/20/03/97/1017200397.db2.gz VUWOPLULBSQVER-LLVKDONJSA-N -1 1 317.349 0.900 20 0 DCADMM CCOc1cccc([C@H](C)NC(=O)[C@]2(C(=O)[O-])CNCCO2)c1 ZINC001521277848 1017341867 /nfs/dbraw/zinc/34/18/67/1017341867.db2.gz YMNJXUVZCNKAEV-ZBEGNZNMSA-N -1 1 322.361 0.706 20 0 DCADMM COC[C@@H](C)C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001510491079 1017664564 /nfs/dbraw/zinc/66/45/64/1017664564.db2.gz PPQFPYPYWIAFQH-MNOVXSKESA-N -1 1 309.366 0.646 20 0 DCADMM Cc1cncc(C(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C2CC2)c1 ZINC001480011158 1018116874 /nfs/dbraw/zinc/11/68/74/1018116874.db2.gz UUBBLSADRDOCSL-GFCCVEGCSA-N -1 1 316.365 0.512 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@@H](NCc2cnns2)C2CC2)c1[O-] ZINC001480014547 1018120507 /nfs/dbraw/zinc/12/05/07/1018120507.db2.gz LEDMRKSLBBFDBG-SNVBAGLBSA-N -1 1 322.394 0.573 20 0 DCADMM CCn1ccc(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)n1 ZINC001480050239 1018162920 /nfs/dbraw/zinc/16/29/20/1018162920.db2.gz HJZDARXSCNLTIB-NSHDSACASA-N -1 1 319.369 0.025 20 0 DCADMM CC[C@@H](CNC(=O)c1ncccc1F)NCc1n[nH]c(=O)[n-]1 ZINC001495079894 1018293383 /nfs/dbraw/zinc/29/33/83/1018293383.db2.gz LNNNCLIBJINMNW-QMMMGPOBSA-N -1 1 308.317 0.343 20 0 DCADMM CC[C@H](CNC(=O)c1c[nH]nc1C1CC1)NCc1n[nH]c(=O)[n-]1 ZINC001495087230 1018301922 /nfs/dbraw/zinc/30/19/22/1018301922.db2.gz SQRODBGLWMAQLW-SECBINFHSA-N -1 1 319.369 0.409 20 0 DCADMM CC[C@H](CNC(=O)[C@@H](C)c1cccnc1)NCc1n[nH]c(=O)[n-]1 ZINC001495092153 1018303416 /nfs/dbraw/zinc/30/34/16/1018303416.db2.gz IBQHXCDZFZLNQD-CMPLNLGQSA-N -1 1 318.381 0.693 20 0 DCADMM CCn1cc(CN[C@H](C)CNC(=O)c2ncccc2[O-])nn1 ZINC001480451062 1018546657 /nfs/dbraw/zinc/54/66/57/1018546657.db2.gz OPEXHFIOESQCCA-SNVBAGLBSA-N -1 1 304.354 0.307 20 0 DCADMM CC[C@@H](F)CN1CC[C@](O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001500662405 1018553704 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548196132 /nfs/dbraw/zinc/19/61/32/548196132.db2.gz NGELGUJKEXVCNI-GFCCVEGCSA-N -1 1 318.308 0.800 20 0 DCADMM C[C@H](CN(C)C(=O)c1c2c(nn1C)CCCC2)c1nn[n-]n1 ZINC000681352440 548240599 /nfs/dbraw/zinc/24/05/99/548240599.db2.gz AUTJFLOWHKQGJE-SECBINFHSA-N -1 1 303.370 0.688 20 0 DCADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1nnnn1C ZINC000681790293 548295330 /nfs/dbraw/zinc/29/53/30/548295330.db2.gz DCCBYICRMWPXGA-UHFFFAOYSA-N -1 1 305.342 0.242 20 0 DCADMM O=C([C@@H]1CCc2nccn2C1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000682515217 548391887 /nfs/dbraw/zinc/39/18/87/548391887.db2.gz PWEKWNUSCCEMIX-GHMZBOCLSA-N -1 1 301.354 0.365 20 0 DCADMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n[nH]1 ZINC000683136989 548453275 /nfs/dbraw/zinc/45/32/75/548453275.db2.gz KTKFUBCHFGZNHU-PHDIDXHHSA-N -1 1 307.314 0.405 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCC1CC(O)C1 ZINC000683348958 548471166 /nfs/dbraw/zinc/47/11/66/548471166.db2.gz LLZQNICAZARGFO-UHFFFAOYSA-N -1 1 318.377 0.871 20 0 DCADMM 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IMMXECYEMQYDEJ-VIFPVBQESA-N -1 1 324.348 0.512 20 0 DCADMM NC(=O)[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737743668 598935120 /nfs/dbraw/zinc/93/51/20/598935120.db2.gz IMMXECYEMQYDEJ-VIFPVBQESA-N -1 1 324.348 0.512 20 0 DCADMM C[S@@](=O)CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737174247 598971114 /nfs/dbraw/zinc/97/11/14/598971114.db2.gz UQTIIMXTAUHQHS-OAQYLSRUSA-N -1 1 303.351 0.600 20 0 DCADMM C[S@@](=O)CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737174247 598971115 /nfs/dbraw/zinc/97/11/15/598971115.db2.gz UQTIIMXTAUHQHS-OAQYLSRUSA-N -1 1 303.351 0.600 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(NCCCOC[C@H]2CCOC2)n1 ZINC000738445577 598973319 /nfs/dbraw/zinc/97/33/19/598973319.db2.gz IXXIAJDDMTZWDQ-SNVBAGLBSA-N -1 1 305.342 0.512 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(NCCCOC[C@H]2CCOC2)n1 ZINC000738445577 598973321 /nfs/dbraw/zinc/97/33/21/598973321.db2.gz IXXIAJDDMTZWDQ-SNVBAGLBSA-N -1 1 305.342 0.512 20 0 DCADMM CC(C)OC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735892984 598984454 /nfs/dbraw/zinc/98/44/54/598984454.db2.gz RLWYUSXXJKNWMA-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM CC(C)OC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735892984 598984455 /nfs/dbraw/zinc/98/44/55/598984455.db2.gz RLWYUSXXJKNWMA-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737758566 598990900 /nfs/dbraw/zinc/99/09/00/598990900.db2.gz NEKIEQUGWIDPJU-UHFFFAOYSA-N -1 1 323.316 0.542 20 0 DCADMM NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737758566 598990902 /nfs/dbraw/zinc/99/09/02/598990902.db2.gz NEKIEQUGWIDPJU-UHFFFAOYSA-N -1 1 323.316 0.542 20 0 DCADMM O=C(Nc1nnc2ccccn21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738208262 598991824 /nfs/dbraw/zinc/99/18/24/598991824.db2.gz KSALGLGPWIRWSM-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1nnc2ccccn21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738208262 598991825 /nfs/dbraw/zinc/99/18/25/598991825.db2.gz KSALGLGPWIRWSM-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM COCCn1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000737015586 598994182 /nfs/dbraw/zinc/99/41/82/598994182.db2.gz DGOOBPCGXZEMAY-UHFFFAOYSA-N -1 1 314.309 0.357 20 0 DCADMM COCCn1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000737015586 598994183 /nfs/dbraw/zinc/99/41/83/598994183.db2.gz DGOOBPCGXZEMAY-UHFFFAOYSA-N -1 1 314.309 0.357 20 0 DCADMM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736323933 598998493 /nfs/dbraw/zinc/99/84/93/598998493.db2.gz FUCARLGNXBSKBO-BDAKNGLRSA-N -1 1 317.353 0.295 20 0 DCADMM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736323933 598998495 /nfs/dbraw/zinc/99/84/95/598998495.db2.gz FUCARLGNXBSKBO-BDAKNGLRSA-N -1 1 317.353 0.295 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738122654 599030324 /nfs/dbraw/zinc/03/03/24/599030324.db2.gz GWVJRYARNSGLJI-UHFFFAOYSA-N -1 1 311.309 0.118 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738122654 599030327 /nfs/dbraw/zinc/03/03/27/599030327.db2.gz GWVJRYARNSGLJI-UHFFFAOYSA-N -1 1 311.309 0.118 20 0 DCADMM Cc1cc(C)n(C2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000737256143 599031632 /nfs/dbraw/zinc/03/16/32/599031632.db2.gz LCMGPTKLFYCMTD-UHFFFAOYSA-N -1 1 324.348 0.772 20 0 DCADMM Cc1cc(C)n(C2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000737256143 599031634 /nfs/dbraw/zinc/03/16/34/599031634.db2.gz LCMGPTKLFYCMTD-UHFFFAOYSA-N -1 1 324.348 0.772 20 0 DCADMM Cn1cc([C@@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000822669738 599042620 /nfs/dbraw/zinc/04/26/20/599042620.db2.gz NIOPDFHFMXQHGM-VIFPVBQESA-N -1 1 320.744 0.794 20 0 DCADMM Cn1cc([C@@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000822669738 599042623 /nfs/dbraw/zinc/04/26/23/599042623.db2.gz NIOPDFHFMXQHGM-VIFPVBQESA-N -1 1 320.744 0.794 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000820668116 599053009 /nfs/dbraw/zinc/05/30/09/599053009.db2.gz PSECWJSVNVPWGO-GHMZBOCLSA-N -1 1 313.365 0.566 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000820668116 599053011 /nfs/dbraw/zinc/05/30/11/599053011.db2.gz PSECWJSVNVPWGO-GHMZBOCLSA-N -1 1 313.365 0.566 20 0 DCADMM Cc1ccc([C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737320593 599056395 /nfs/dbraw/zinc/05/63/95/599056395.db2.gz RNMSXJIVSOVAHN-NSHDSACASA-N -1 1 314.305 0.627 20 0 DCADMM Cc1ccc([C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737320593 599056398 /nfs/dbraw/zinc/05/63/98/599056398.db2.gz RNMSXJIVSOVAHN-NSHDSACASA-N -1 1 314.305 0.627 20 0 DCADMM CC[C@@H](C)C[C@@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820870285 599067455 /nfs/dbraw/zinc/06/74/55/599067455.db2.gz QDAFHBATDMGJQM-RKDXNWHRSA-N -1 1 321.385 0.501 20 0 DCADMM O=C(NCCc1ccccc1O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738089199 599106999 /nfs/dbraw/zinc/10/69/99/599106999.db2.gz VMNVBLZRNLCEPG-UHFFFAOYSA-N -1 1 310.317 0.940 20 0 DCADMM O=C(NCCc1ccccc1O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738089199 599107004 /nfs/dbraw/zinc/10/70/04/599107004.db2.gz VMNVBLZRNLCEPG-UHFFFAOYSA-N -1 1 310.317 0.940 20 0 DCADMM Cc1nnc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737521705 599136651 /nfs/dbraw/zinc/13/66/51/599136651.db2.gz NGCQIXBNRWSRFD-ZCFIWIBFSA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nnc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737521705 599136653 /nfs/dbraw/zinc/13/66/53/599136653.db2.gz NGCQIXBNRWSRFD-ZCFIWIBFSA-N -1 1 301.266 0.871 20 0 DCADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N(C)C ZINC000735735295 599142084 /nfs/dbraw/zinc/14/20/84/599142084.db2.gz QTXFMBQXAYULBU-NSHDSACASA-N -1 1 318.337 0.531 20 0 DCADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N(C)C ZINC000735735295 599142087 /nfs/dbraw/zinc/14/20/87/599142087.db2.gz QTXFMBQXAYULBU-NSHDSACASA-N -1 1 318.337 0.531 20 0 DCADMM O=C([O-])C1CCN(CC(=O)NC(=O)NCc2ccco2)CC1 ZINC000386371956 596924570 /nfs/dbraw/zinc/92/45/70/596924570.db2.gz GHUVCIZBMFTUGK-UHFFFAOYSA-N -1 1 309.322 0.402 20 0 DCADMM C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CCC(=O)[O-])CC2)C1 ZINC000739091996 597000248 /nfs/dbraw/zinc/00/02/48/597000248.db2.gz MBGDBYICDMSKJC-UONOGXRCSA-N -1 1 311.426 0.774 20 0 DCADMM CC(C)[C@@H](CNC(=O)CSCC(=O)[O-])N1CCN(C)CC1 ZINC000128209605 597101796 /nfs/dbraw/zinc/10/17/96/597101796.db2.gz RUOCMWKYEJWHSV-GFCCVEGCSA-N -1 1 317.455 0.192 20 0 DCADMM C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)C(=O)[O-] ZINC000739023636 597329605 /nfs/dbraw/zinc/32/96/05/597329605.db2.gz MFHKMLUHJHZUSA-LURJTMIESA-N -1 1 307.331 0.425 20 0 DCADMM CS(=O)(=O)NC1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000820891054 597341920 /nfs/dbraw/zinc/34/19/20/597341920.db2.gz XAQLVCFOYRDZFO-UHFFFAOYSA-N -1 1 312.391 0.898 20 0 DCADMM C[C@@H](C(=O)[O-])N(C)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000262940501 597460469 /nfs/dbraw/zinc/46/04/69/597460469.db2.gz ZOPXQILQEOMPEN-ZDUSSCGKSA-N -1 1 320.393 0.525 20 0 DCADMM C[C@H](OC(=O)c1ccc(F)cc1NS(C)(=O)=O)C(=O)[O-] ZINC000737703739 597498901 /nfs/dbraw/zinc/49/89/01/597498901.db2.gz FUALIVQCQUVEFM-LURJTMIESA-N -1 1 305.283 0.827 20 0 DCADMM COc1ccc(C(=O)[N-]C(=O)C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000818578939 597534900 /nfs/dbraw/zinc/53/49/00/597534900.db2.gz FGPPYYICNDEAQY-NSHDSACASA-N -1 1 306.318 0.358 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(C)cs2)c1=O ZINC000736719045 599284961 /nfs/dbraw/zinc/28/49/61/599284961.db2.gz ODXWYCZTGDZODT-UHFFFAOYSA-N -1 1 319.350 0.023 20 0 DCADMM COC(=O)C1(NC(=O)CN[C@@H](C(=O)[O-])C(C)C)CCCCC1 ZINC000820653587 598189300 /nfs/dbraw/zinc/18/93/00/598189300.db2.gz NHISZQBEBYZDQF-GFCCVEGCSA-N -1 1 314.382 0.677 20 0 DCADMM CN(CCCNc1nccnc1-c1nnn[n-]1)CC(F)(F)F ZINC000736799226 598344465 /nfs/dbraw/zinc/34/44/65/598344465.db2.gz AGYHHPUPEJWLMP-UHFFFAOYSA-N -1 1 316.291 0.953 20 0 DCADMM CN(CCCNc1nccnc1-c1nn[n-]n1)CC(F)(F)F ZINC000736799226 598344467 /nfs/dbraw/zinc/34/44/67/598344467.db2.gz AGYHHPUPEJWLMP-UHFFFAOYSA-N -1 1 316.291 0.953 20 0 DCADMM NC(=O)c1cccc(CCNc2nccnc2-c2nnn[n-]2)c1 ZINC000737762273 598354752 /nfs/dbraw/zinc/35/47/52/598354752.db2.gz WXBRUHASYNLWIB-UHFFFAOYSA-N -1 1 310.321 0.410 20 0 DCADMM NC(=O)c1cccc(CCNc2nccnc2-c2nn[n-]n2)c1 ZINC000737762273 598354758 /nfs/dbraw/zinc/35/47/58/598354758.db2.gz WXBRUHASYNLWIB-UHFFFAOYSA-N -1 1 310.321 0.410 20 0 DCADMM c1nc(-c2nnn[n-]2)cnc1NCCCOC[C@H]1CCCO1 ZINC000738453190 598385705 /nfs/dbraw/zinc/38/57/05/598385705.db2.gz VUJPPCYHMACVBN-SNVBAGLBSA-N -1 1 305.342 0.654 20 0 DCADMM c1nc(-c2nn[n-]n2)cnc1NCCCOC[C@H]1CCCO1 ZINC000738453190 598385708 /nfs/dbraw/zinc/38/57/08/598385708.db2.gz VUJPPCYHMACVBN-SNVBAGLBSA-N -1 1 305.342 0.654 20 0 DCADMM Clc1nsc(N[C@@H]2CCc3ncnn3C2)c1-c1nnn[n-]1 ZINC000737582818 598545712 /nfs/dbraw/zinc/54/57/12/598545712.db2.gz FYKDYSICIJNKRB-RXMQYKEDSA-N -1 1 323.773 0.995 20 0 DCADMM Clc1nsc(N[C@@H]2CCc3ncnn3C2)c1-c1nn[n-]n1 ZINC000737582818 598545714 /nfs/dbraw/zinc/54/57/14/598545714.db2.gz FYKDYSICIJNKRB-RXMQYKEDSA-N -1 1 323.773 0.995 20 0 DCADMM CCc1nn(Cc2cccnc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707018 598640286 /nfs/dbraw/zinc/64/02/86/598640286.db2.gz OLGMYOKWQYAOJA-UHFFFAOYSA-N -1 1 311.349 0.992 20 0 DCADMM CNC(=O)[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736869740 598677357 /nfs/dbraw/zinc/67/73/57/598677357.db2.gz BLLCZCRMNGDUEJ-QMMMGPOBSA-N -1 1 321.772 0.878 20 0 DCADMM CNC(=O)[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736869740 598677359 /nfs/dbraw/zinc/67/73/59/598677359.db2.gz BLLCZCRMNGDUEJ-QMMMGPOBSA-N -1 1 321.772 0.878 20 0 DCADMM CS(=O)(=O)N1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737164826 599401876 /nfs/dbraw/zinc/40/18/76/599401876.db2.gz BVJUQSHEICEUOL-UHFFFAOYSA-N -1 1 323.382 0.098 20 0 DCADMM CS(=O)(=O)N1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737164826 599401879 /nfs/dbraw/zinc/40/18/79/599401879.db2.gz BVJUQSHEICEUOL-UHFFFAOYSA-N -1 1 323.382 0.098 20 0 DCADMM Cn1cnnc1C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737617865 599405106 /nfs/dbraw/zinc/40/51/06/599405106.db2.gz DOYRSGOAZZUKGL-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cnnc1C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737617865 599405108 /nfs/dbraw/zinc/40/51/08/599405108.db2.gz 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O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]2COCC[C@H]21 ZINC000823478686 606817752 /nfs/dbraw/zinc/81/77/52/606817752.db2.gz PHRUXHNKEIDUEL-WCQYABFASA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]2COCC[C@H]21 ZINC000823478686 606817754 /nfs/dbraw/zinc/81/77/54/606817754.db2.gz PHRUXHNKEIDUEL-WCQYABFASA-N -1 1 314.349 0.903 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccncc2)n1 ZINC000822620221 606830422 /nfs/dbraw/zinc/83/04/22/606830422.db2.gz MMVVJXYYUXVJRB-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccncc2)n1 ZINC000822620221 606830424 /nfs/dbraw/zinc/83/04/24/606830424.db2.gz MMVVJXYYUXVJRB-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM CCC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)s1)c1nn[n-]n1 ZINC000821023135 606912924 /nfs/dbraw/zinc/91/29/24/606912924.db2.gz XJNHETGCRDCOQP-ZCFIWIBFSA-N -1 1 319.354 0.713 20 0 DCADMM C[C@H](Cc1cccs1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820299839 607207078 /nfs/dbraw/zinc/20/70/78/607207078.db2.gz LKANDTBLXUISLH-MRVPVSSYSA-N -1 1 318.366 0.267 20 0 DCADMM Cc1ccc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)o1 ZINC000822228755 607208427 /nfs/dbraw/zinc/20/84/27/607208427.db2.gz DXTWNHCEUZJSCH-QMMMGPOBSA-N -1 1 302.298 0.237 20 0 DCADMM CCOc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821431370 607208880 /nfs/dbraw/zinc/20/88/80/607208880.db2.gz ROIZVULZCSNENI-UHFFFAOYSA-N -1 1 314.309 0.496 20 0 DCADMM CC(C)[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820039436 607214066 /nfs/dbraw/zinc/21/40/66/607214066.db2.gz WKYRKDYRNVSSRF-MNOVXSKESA-N -1 1 318.385 0.789 20 0 DCADMM Cc1cccc2c1CC[C@@H]2NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822340633 607214298 /nfs/dbraw/zinc/21/42/98/607214298.db2.gz AISGRZKUUJPDRL-LBPRGKRZSA-N -1 1 324.348 0.570 20 0 DCADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820862278 607218163 /nfs/dbraw/zinc/21/81/63/607218163.db2.gz QAEWANQCGWCYAW-QWRGUYRKSA-N -1 1 318.385 0.885 20 0 DCADMM Cc1nc(C)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000822431938 607222331 /nfs/dbraw/zinc/22/23/31/607222331.db2.gz PSNSUCXXPAQGOD-UHFFFAOYSA-N -1 1 305.327 0.170 20 0 DCADMM CC(C)CN(CC(C)(C)C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820081809 607224175 /nfs/dbraw/zinc/22/41/75/607224175.db2.gz WPIFOMYEQDNWIV-UHFFFAOYSA-N -1 1 320.401 0.989 20 0 DCADMM CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821950418 607225040 /nfs/dbraw/zinc/22/50/40/607225040.db2.gz NDDPAGTYJGBYQS-HZGVNTEJSA-N -1 1 313.408 0.770 20 0 DCADMM CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821950418 607225041 /nfs/dbraw/zinc/22/50/41/607225041.db2.gz NDDPAGTYJGBYQS-HZGVNTEJSA-N -1 1 313.408 0.770 20 0 DCADMM CC(C)(C)n1nccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819976206 607237057 /nfs/dbraw/zinc/23/70/57/607237057.db2.gz QLCBKVMLHYFIOS-UHFFFAOYSA-N -1 1 316.329 0.048 20 0 DCADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(=O)NCc1ccco1 ZINC000824662625 607897120 /nfs/dbraw/zinc/89/71/20/607897120.db2.gz OBTQJPRAUDUQMZ-VIFPVBQESA-N -1 1 313.321 0.972 20 0 DCADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(=O)NCc1ccco1 ZINC000824662625 607897121 /nfs/dbraw/zinc/89/71/21/607897121.db2.gz OBTQJPRAUDUQMZ-VIFPVBQESA-N -1 1 313.321 0.972 20 0 DCADMM COCCN(CCC(=O)OC)c1cccc(-c2nnn[n-]2)n1 ZINC000826157580 607901862 /nfs/dbraw/zinc/90/18/62/607901862.db2.gz BPDQBGNDGZHZRR-UHFFFAOYSA-N -1 1 306.326 0.278 20 0 DCADMM COCCN(CCC(=O)OC)c1cccc(-c2nn[n-]n2)n1 ZINC000826157580 607901863 /nfs/dbraw/zinc/90/18/63/607901863.db2.gz BPDQBGNDGZHZRR-UHFFFAOYSA-N -1 1 306.326 0.278 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](CCO)C1 ZINC000826472579 607942490 /nfs/dbraw/zinc/94/24/90/607942490.db2.gz PBVWNYUJRXKVCK-JTQLQIEISA-N -1 1 302.338 0.496 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](CCO)C1 ZINC000826472579 607942491 /nfs/dbraw/zinc/94/24/91/607942491.db2.gz PBVWNYUJRXKVCK-JTQLQIEISA-N -1 1 302.338 0.496 20 0 DCADMM O=C1CNC(=O)N1CCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826481419 607973742 /nfs/dbraw/zinc/97/37/42/607973742.db2.gz TZXDUHZJFVLSTK-UHFFFAOYSA-N -1 1 320.284 0.327 20 0 DCADMM O=C1CNC(=O)N1CCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826481419 607973743 /nfs/dbraw/zinc/97/37/43/607973743.db2.gz TZXDUHZJFVLSTK-UHFFFAOYSA-N -1 1 320.284 0.327 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CSC(=O)N1 ZINC000826482169 607999136 /nfs/dbraw/zinc/99/91/36/607999136.db2.gz UNTNQUIDUYDVEP-ZETCQYMHSA-N -1 1 306.307 0.336 20 0 DCADMM CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC ZINC000825242368 608334571 /nfs/dbraw/zinc/33/45/71/608334571.db2.gz PKZCAKHDWHZZPG-SSDOTTSWSA-N -1 1 309.351 1.000 20 0 DCADMM CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC000825242368 608334574 /nfs/dbraw/zinc/33/45/74/608334574.db2.gz PKZCAKHDWHZZPG-SSDOTTSWSA-N -1 1 309.351 1.000 20 0 DCADMM FC(F)(F)CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826367941 608394156 /nfs/dbraw/zinc/39/41/56/608394156.db2.gz VEXIJHADTWAQIU-UHFFFAOYSA-N -1 1 314.275 0.341 20 0 DCADMM FC(F)(F)CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826367941 608394158 /nfs/dbraw/zinc/39/41/58/608394158.db2.gz VEXIJHADTWAQIU-UHFFFAOYSA-N -1 1 314.275 0.341 20 0 DCADMM CCc1nc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)no1 ZINC000825745146 608407818 /nfs/dbraw/zinc/40/78/18/608407818.db2.gz IUWCQVDKJYDUGY-SECBINFHSA-N -1 1 313.325 0.944 20 0 DCADMM CCc1nc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)no1 ZINC000825745146 608407820 /nfs/dbraw/zinc/40/78/20/608407820.db2.gz IUWCQVDKJYDUGY-SECBINFHSA-N -1 1 313.325 0.944 20 0 DCADMM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825840000 608419390 /nfs/dbraw/zinc/41/93/90/608419390.db2.gz MPFQUUPDSFABMI-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825840000 608419392 /nfs/dbraw/zinc/41/93/92/608419392.db2.gz MPFQUUPDSFABMI-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM C[C@@H](C(=O)OC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824051818 608427019 /nfs/dbraw/zinc/42/70/19/608427019.db2.gz FUWBPRANIVWKRG-QMMMGPOBSA-N -1 1 305.342 0.823 20 0 DCADMM C[C@@H](C(=O)OC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824051818 608427021 /nfs/dbraw/zinc/42/70/21/608427021.db2.gz FUWBPRANIVWKRG-QMMMGPOBSA-N -1 1 305.342 0.823 20 0 DCADMM CC(C)(C)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1=O ZINC000824093687 608427135 /nfs/dbraw/zinc/42/71/35/608427135.db2.gz JSNVMURFQWQXML-MRVPVSSYSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(C)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC000824093687 608427136 /nfs/dbraw/zinc/42/71/36/608427136.db2.gz JSNVMURFQWQXML-MRVPVSSYSA-N -1 1 302.342 0.468 20 0 DCADMM CCNC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000825471629 608506010 /nfs/dbraw/zinc/50/60/10/608506010.db2.gz ZAWIDZYWTMUPKA-UHFFFAOYSA-N -1 1 321.410 0.775 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](C)O ZINC000822535450 608582315 /nfs/dbraw/zinc/58/23/15/608582315.db2.gz RYYIWEBTRLNPJL-MRVPVSSYSA-N -1 1 316.321 0.669 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](C)O ZINC000822535450 608582316 /nfs/dbraw/zinc/58/23/16/608582316.db2.gz RYYIWEBTRLNPJL-MRVPVSSYSA-N -1 1 316.321 0.669 20 0 DCADMM Cc1nc2n(n1)CCN(Cc1ccc(-c3nn[n-]n3)s1)C2 ZINC000826329286 608710848 /nfs/dbraw/zinc/71/08/48/608710848.db2.gz XEOKBFOCZZKXOV-UHFFFAOYSA-N -1 1 302.367 0.844 20 0 DCADMM CN(Cc1ccc(-c2nnn[n-]2)o1)CC(C)(C)S(C)(=O)=O ZINC000825962343 608741157 /nfs/dbraw/zinc/74/11/57/608741157.db2.gz XLXGFVKSUQHIPI-UHFFFAOYSA-N -1 1 313.383 0.715 20 0 DCADMM CN(Cc1ccc(-c2nn[n-]n2)o1)CC(C)(C)S(C)(=O)=O ZINC000825962343 608741158 /nfs/dbraw/zinc/74/11/58/608741158.db2.gz XLXGFVKSUQHIPI-UHFFFAOYSA-N -1 1 313.383 0.715 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H]1F ZINC000824949606 609381091 /nfs/dbraw/zinc/38/10/91/609381091.db2.gz YGIUTJIFUJQMQC-CBAPKCEASA-N -1 1 308.321 0.812 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H]1F ZINC000824949606 609381094 /nfs/dbraw/zinc/38/10/94/609381094.db2.gz YGIUTJIFUJQMQC-CBAPKCEASA-N -1 1 308.321 0.812 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)NC(C)(C)CO)cc1-c1nn[n-]n1 ZINC000826229565 609393582 /nfs/dbraw/zinc/39/35/82/609393582.db2.gz JCINMJATBDNIBE-UHFFFAOYSA-N -1 1 324.366 0.190 20 0 DCADMM O=C(NC[C@@H]1[C@H]2CN(Cc3cnon3)C[C@H]21)c1ncccc1[O-] ZINC000978050704 660477290 /nfs/dbraw/zinc/47/72/90/660477290.db2.gz QIXNVOXYIPEOPJ-CNDDSTCGSA-N -1 1 315.333 0.278 20 0 DCADMM COCCN(CC(C)C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909398289 660599445 /nfs/dbraw/zinc/59/94/45/660599445.db2.gz CHHBFWBBHZWROP-CYBMUJFWSA-N -1 1 300.399 0.914 20 0 DCADMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000866953254 662662190 /nfs/dbraw/zinc/66/21/90/662662190.db2.gz IUAMBBWJLXSBBM-XUPINFNUSA-N -1 1 309.457 0.421 20 0 DCADMM C/C=C(\C)C(=O)N1CCO[C@H]([C@H](C)NCc2n[nH]c(=O)[n-]2)C1 ZINC000979237959 660693406 /nfs/dbraw/zinc/69/34/06/660693406.db2.gz DKXHASDPZMOBMB-HSHPDBBSSA-N -1 1 309.370 0.182 20 0 DCADMM O=C(N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1)c1cnco1 ZINC000979675813 660799717 /nfs/dbraw/zinc/79/97/17/660799717.db2.gz VAYBQLGQTKQMFZ-MGCOHNPYSA-N -1 1 316.317 0.714 20 0 DCADMM O=C(NC[C@H]1CCCN1Cc1ncccn1)c1ncccc1[O-] 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DCADMM Cn1[n-]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC=CCC3)C2)nc1=O ZINC001019984116 693634806 /nfs/dbraw/zinc/63/48/06/693634806.db2.gz VDQNCRIVOBFXLJ-SRVKXCTJSA-N -1 1 305.382 0.202 20 0 DCADMM CO[C@@H](C)C(=O)NC1(C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001072969113 694689517 /nfs/dbraw/zinc/68/95/17/694689517.db2.gz NMUNXSTYRLHENR-NSHDSACASA-N -1 1 321.377 0.933 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CC[C@H]1CCOC1 ZINC001074594508 694911068 /nfs/dbraw/zinc/91/10/68/694911068.db2.gz CADRLZAKCGZCHO-SRVKXCTJSA-N -1 1 323.397 0.406 20 0 DCADMM COCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001074755996 694920736 /nfs/dbraw/zinc/92/07/36/694920736.db2.gz BQPMSYCQZYAUGB-NEPJUHHUSA-N -1 1 321.377 0.933 20 0 DCADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)C[C@H]1CCCO1 ZINC001076244079 695008291 /nfs/dbraw/zinc/00/82/91/695008291.db2.gz HXUOSFSFMLCKFJ-NWDGAFQWSA-N -1 1 321.377 0.981 20 0 DCADMM Cc1oncc1CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001076916833 695096963 /nfs/dbraw/zinc/09/69/63/695096963.db2.gz DQWIKXHZBKWUKK-DGCLKSJQSA-N -1 1 318.333 0.059 20 0 DCADMM C([C@H]1CCOC1)n1c(-c2nnn[n-]2)nnc1N1CCCCCC1 ZINC001772536752 1157544992 /nfs/dbraw/zinc/54/49/92/1157544992.db2.gz IQCLTCBANOUPIW-LLVKDONJSA-N -1 1 318.385 0.875 20 0 DCADMM C([C@H]1CCOC1)n1c(-c2nn[n-]n2)nnc1N1CCCCCC1 ZINC001772536752 1157544994 /nfs/dbraw/zinc/54/49/94/1157544994.db2.gz IQCLTCBANOUPIW-LLVKDONJSA-N -1 1 318.385 0.875 20 0 DCADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2nc3ncccn3n2)n1 ZINC001625900184 1157950300 /nfs/dbraw/zinc/95/03/00/1157950300.db2.gz JISCSFMBWWUISH-UHFFFAOYSA-N -1 1 315.293 0.205 20 0 DCADMM COCCCC(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001745401969 1157977723 /nfs/dbraw/zinc/97/77/23/1157977723.db2.gz SZDXTZGCKCGPLI-LBPRGKRZSA-N -1 1 321.377 0.935 20 0 DCADMM C[C@H](CC(=O)OCc1nn[n-]n1)n1cc(Br)cn1 ZINC001772362535 1158122694 /nfs/dbraw/zinc/12/26/94/1158122694.db2.gz OSOOQVUOZYKYAZ-ZCFIWIBFSA-N -1 1 315.131 0.853 20 0 DCADMM CC[C@H]1CN(c2nnc(-c3nnn[n-]3)n2CCOC)CCS1 ZINC001649144623 1158795452 /nfs/dbraw/zinc/79/54/52/1158795452.db2.gz OQRVGYKPUURFHU-VIFPVBQESA-N -1 1 324.414 0.436 20 0 DCADMM CC[C@H]1CN(c2nnc(-c3nn[n-]n3)n2CCOC)CCS1 ZINC001649144623 1158795458 /nfs/dbraw/zinc/79/54/58/1158795458.db2.gz OQRVGYKPUURFHU-VIFPVBQESA-N -1 1 324.414 0.436 20 0 DCADMM CCc1nn(C)cc1C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001720070914 1158797716 /nfs/dbraw/zinc/79/77/16/1158797716.db2.gz ZNHSTYXBCLVWDM-UHFFFAOYSA-N -1 1 317.349 0.243 20 0 DCADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@@H]1CCC(=O)NC1 ZINC000346104571 1158862887 /nfs/dbraw/zinc/86/28/87/1158862887.db2.gz PTQPWXSHXWGFOJ-SECBINFHSA-N -1 1 316.321 0.243 20 0 DCADMM O=C(NN1CC(=O)[N-]C1=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC001248724944 1159136738 /nfs/dbraw/zinc/13/67/38/1159136738.db2.gz NYXSAHIGSCAQPW-UHFFFAOYSA-N -1 1 312.285 0.651 20 0 DCADMM CCCC1(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)CC1 ZINC001446375668 1159398660 /nfs/dbraw/zinc/39/86/60/1159398660.db2.gz XBWMKLYMGFHLPB-UHFFFAOYSA-N -1 1 307.398 0.331 20 0 DCADMM C[C@@H](C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1)C1CC1 ZINC001446521161 1159448828 /nfs/dbraw/zinc/44/88/28/1159448828.db2.gz BXFFLQFXJRYDFZ-MEBBXXQBSA-N -1 1 307.398 0.235 20 0 DCADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1coc(C)n1 ZINC001448271942 1159727872 /nfs/dbraw/zinc/72/78/72/1159727872.db2.gz QCWIBCVQLRNKEZ-SNVBAGLBSA-N -1 1 322.369 0.885 20 0 DCADMM C[C@H](CNC(=O)C[C@@H]1CCCO1)CNC(=O)c1ncccc1[O-] ZINC001451488202 1159748622 /nfs/dbraw/zinc/74/86/22/1159748622.db2.gz BSZBBOBUBANXDS-NEPJUHHUSA-N -1 1 321.377 0.838 20 0 DCADMM CO[C@H](C)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591323301 1159767155 /nfs/dbraw/zinc/76/71/55/1159767155.db2.gz WNKMIZNTLGNACI-SSDOTTSWSA-N -1 1 301.328 0.115 20 0 DCADMM O=C(NCc1nn[n-]n1)c1nnn(-c2ccccc2)c1C(F)F ZINC001542881362 1159816036 /nfs/dbraw/zinc/81/60/36/1159816036.db2.gz GPQWYQRCXAQAPP-UHFFFAOYSA-N -1 1 320.263 0.648 20 0 DCADMM Cc1ncc(NC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)cn1 ZINC001565562951 1159883532 /nfs/dbraw/zinc/88/35/32/1159883532.db2.gz NXOZZUPQZQKIBJ-UHFFFAOYSA-N -1 1 312.289 0.617 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)CC1=O ZINC001566116686 1159966145 /nfs/dbraw/zinc/96/61/45/1159966145.db2.gz YOHOWKSNTMUDNJ-SUZMYJTESA-N -1 1 302.330 0.700 20 0 DCADMM CON(C)C[C@H](O)Cn1cc(NC(=O)c2ccc([O-])cn2)cn1 ZINC001566433405 1159975975 /nfs/dbraw/zinc/97/59/75/1159975975.db2.gz PJNTWCSJHWBCQI-LBPRGKRZSA-N -1 1 321.337 0.090 20 0 DCADMM O=C(NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1cccnn1 ZINC001566600163 1160087262 /nfs/dbraw/zinc/08/72/62/1160087262.db2.gz QMPCYNVFQVVXJO-UHFFFAOYSA-N -1 1 317.353 0.085 20 0 DCADMM CN(C)c1ccc(C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)cc1 ZINC001567595257 1160435016 /nfs/dbraw/zinc/43/50/16/1160435016.db2.gz BSAUAXWGSMLWHD-UHFFFAOYSA-N -1 1 318.381 0.438 20 0 DCADMM CC(=O)N[C@](C)(C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])C(C)C ZINC001573417678 1163431615 /nfs/dbraw/zinc/43/16/15/1163431615.db2.gz KTHRYLBSWFOYBY-FZMZJTMJSA-N -1 1 310.354 0.072 20 0 DCADMM CC(=O)N[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)C(C)C ZINC001573418049 1163431821 /nfs/dbraw/zinc/43/18/21/1163431821.db2.gz MLKSMOLRMXINJT-FZMZJTMJSA-N -1 1 313.398 0.155 20 0 DCADMM CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC001573493373 1163450457 /nfs/dbraw/zinc/45/04/57/1163450457.db2.gz KVDRDMDGSBSBAU-LLVKDONJSA-N -1 1 318.337 0.775 20 0 DCADMM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](Cc2nn[nH]n2)C1 ZINC001573495564 1163451984 /nfs/dbraw/zinc/45/19/84/1163451984.db2.gz XDRUDOVGVFZJOO-MWLCHTKSSA-N -1 1 310.358 0.273 20 0 DCADMM CC(C)[C@H](NC(=O)[O-])C(=O)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC001573494429 1163452387 /nfs/dbraw/zinc/45/23/87/1163452387.db2.gz PTPBDUPXNDVYQB-WPRPVWTQSA-N -1 1 311.342 0.217 20 0 DCADMM CC(C)Cn1[nH]c(CC(=O)Nc2c[nH]c(C(=O)[O-])n2)cc1=O ZINC001573519247 1163458036 /nfs/dbraw/zinc/45/80/36/1163458036.db2.gz GNJFCSFVOGMRTP-UHFFFAOYSA-N -1 1 307.310 0.435 20 0 DCADMM CC1(CNCc2nnc3c(=O)[nH]ccn23)CCN(C(=O)[O-])CC1 ZINC001573620395 1163516508 /nfs/dbraw/zinc/51/65/08/1163516508.db2.gz VJUHNXLTQMVORY-UHFFFAOYSA-N -1 1 320.353 0.287 20 0 DCADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC001573649701 1163522257 /nfs/dbraw/zinc/52/22/57/1163522257.db2.gz RDUSPLXHEDOVGY-RDDDGLTNSA-N -1 1 304.310 0.390 20 0 DCADMM CC[C@H]1CN(CC2CN(S(C)(=O)=O)C2)C[C@]1(F)C(=O)[O-] ZINC001573823762 1163560778 /nfs/dbraw/zinc/56/07/78/1163560778.db2.gz DZZMSLYZMUNXRA-CMPLNLGQSA-N -1 1 308.375 0.013 20 0 DCADMM CC(C)C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573951299 1163599108 /nfs/dbraw/zinc/59/91/08/1163599108.db2.gz PUBOVNFZPWWRFE-SNVBAGLBSA-N -1 1 316.369 0.573 20 0 DCADMM CC(C)C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573951299 1163599111 /nfs/dbraw/zinc/59/91/11/1163599111.db2.gz PUBOVNFZPWWRFE-SNVBAGLBSA-N -1 1 316.369 0.573 20 0 DCADMM CC(C)C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573964220 1163605988 /nfs/dbraw/zinc/60/59/88/1163605988.db2.gz DNGCIFVLIPCIMZ-UHFFFAOYSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573965715 1163608491 /nfs/dbraw/zinc/60/84/91/1163608491.db2.gz FNCNFTBAOHYZPK-JTQLQIEISA-N -1 1 316.369 0.041 20 0 DCADMM COc1cccc(C[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CCN2)c1 ZINC001574041277 1163627344 /nfs/dbraw/zinc/62/73/44/1163627344.db2.gz DBPFMZDXZIPETO-NWANDNLSSA-N -1 1 318.373 0.759 20 0 DCADMM CSCc1n[nH]c(CNC(=O)c2cc(C(=O)[O-])cnc2C)n1 ZINC001574096346 1163634092 /nfs/dbraw/zinc/63/40/92/1163634092.db2.gz IEUPSBZJKFEYLA-UHFFFAOYSA-N -1 1 321.362 0.999 20 0 DCADMM CSCc1nnc(CNC(=O)c2cc(C(=O)[O-])cnc2C)[nH]1 ZINC001574096346 1163634099 /nfs/dbraw/zinc/63/40/99/1163634099.db2.gz IEUPSBZJKFEYLA-UHFFFAOYSA-N -1 1 321.362 0.999 20 0 DCADMM C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N[C@@H]1CC[C@H]1O ZINC001574107944 1163638664 /nfs/dbraw/zinc/63/86/64/1163638664.db2.gz OFIFTABBNRFJDC-PMOUVXMZSA-N -1 1 320.389 0.690 20 0 DCADMM Cc1nc(NCc2nnc([C@H]3CCOC3)[nH]2)ncc1C(=O)[O-] ZINC001574191934 1163657652 /nfs/dbraw/zinc/65/76/52/1163657652.db2.gz ISTPPZNKUGQUSH-QMMMGPOBSA-N -1 1 304.310 0.717 20 0 DCADMM Cc1nc(NCc2n[nH]c([C@H]3CCOC3)n2)ncc1C(=O)[O-] ZINC001574191934 1163657655 /nfs/dbraw/zinc/65/76/55/1163657655.db2.gz ISTPPZNKUGQUSH-QMMMGPOBSA-N -1 1 304.310 0.717 20 0 DCADMM O=C([O-])[C@]1(NC(=O)CCc2nn[nH]n2)CCc2ccccc21 ZINC001574299879 1163689570 /nfs/dbraw/zinc/68/95/70/1163689570.db2.gz VCWAGBXMJRCPNQ-AWEZNQCLSA-N -1 1 301.306 0.175 20 0 DCADMM O=C(Cc1n[nH]c(C2CC2)n1)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC001574302548 1163691179 /nfs/dbraw/zinc/69/11/79/1163691179.db2.gz KSPYZTGONPMWCH-JOYOIKCWSA-N -1 1 308.338 0.221 20 0 DCADMM O=C([O-])C[C@@H](O)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC001574362988 1163705892 /nfs/dbraw/zinc/70/58/92/1163705892.db2.gz NNNCUAYZQWHYGS-NXEZZACHSA-N -1 1 308.338 0.224 20 0 DCADMM O=C([O-])[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(c(=O)[n-]1)COCC2 ZINC001574385792 1163711473 /nfs/dbraw/zinc/71/14/73/1163711473.db2.gz PZIJVMBHEFIKMY-KOLCDFICSA-N -1 1 307.350 0.988 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001574431270 1163723503 /nfs/dbraw/zinc/72/35/03/1163723503.db2.gz VBPKMMHFUAMPHY-RKDXNWHRSA-N -1 1 307.306 0.377 20 0 DCADMM C[C@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1nccnc1-c1nnn[n-]1 ZINC001574619858 1163736510 /nfs/dbraw/zinc/73/65/10/1163736510.db2.gz UOYRHNNJHJXONA-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1nccnc1-c1nn[n-]n1 ZINC001574619858 1163736517 /nfs/dbraw/zinc/73/65/17/1163736517.db2.gz UOYRHNNJHJXONA-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1C[C@@H]1C ZINC001574673728 1163739729 /nfs/dbraw/zinc/73/97/29/1163739729.db2.gz NDQIAMDOVCTOIL-AEJSXWLSSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)F ZINC001574810250 1163757436 /nfs/dbraw/zinc/75/74/36/1163757436.db2.gz FVXBSDVPATZTSU-MRVPVSSYSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)F ZINC001574810250 1163757445 /nfs/dbraw/zinc/75/74/45/1163757445.db2.gz FVXBSDVPATZTSU-MRVPVSSYSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574829996 1163761569 /nfs/dbraw/zinc/76/15/69/1163761569.db2.gz OKAAWZBLJXNRIT-MRVPVSSYSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574829996 1163761574 /nfs/dbraw/zinc/76/15/74/1163761574.db2.gz OKAAWZBLJXNRIT-MRVPVSSYSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@@H](CNC(=O)[C@@H](C)C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574836665 1163766147 /nfs/dbraw/zinc/76/61/47/1163766147.db2.gz KGRLQGDQBDXXCO-IUCAKERBSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC1(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574861707 1163775081 /nfs/dbraw/zinc/77/50/81/1163775081.db2.gz MUKUUFMTEVTOPX-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC1(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574861707 1163775087 /nfs/dbraw/zinc/77/50/87/1163775087.db2.gz MUKUUFMTEVTOPX-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574862811 1163776161 /nfs/dbraw/zinc/77/61/61/1163776161.db2.gz VTSSSYJIVFUMKR-BDAKNGLRSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC1(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574862559 1163777004 /nfs/dbraw/zinc/77/70/04/1163777004.db2.gz UOFBHYHSOMLBRY-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC1(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574862559 1163777010 /nfs/dbraw/zinc/77/70/10/1163777010.db2.gz UOFBHYHSOMLBRY-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574863064 1163777020 /nfs/dbraw/zinc/77/70/20/1163777020.db2.gz WOLSFAYYJAIUHQ-QMMMGPOBSA-N -1 1 302.342 0.008 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC12CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574863373 1163777313 /nfs/dbraw/zinc/77/73/13/1163777313.db2.gz YDLNPLVFNLPQIN-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC12CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574863373 1163777320 /nfs/dbraw/zinc/77/73/20/1163777320.db2.gz YDLNPLVFNLPQIN-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(Cc1cccnc1)NCCNC(=O)c1ncccc1[O-] ZINC001575027221 1163854403 /nfs/dbraw/zinc/85/44/03/1163854403.db2.gz ARFAPCCIPJZPLA-UHFFFAOYSA-N -1 1 300.318 0.271 20 0 DCADMM C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001575304061 1163967914 /nfs/dbraw/zinc/96/79/14/1163967914.db2.gz QTYAPKQAOSTUCD-ZCFIWIBFSA-N -1 1 322.329 0.442 20 0 DCADMM C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001575304061 1163967916 /nfs/dbraw/zinc/96/79/16/1163967916.db2.gz QTYAPKQAOSTUCD-ZCFIWIBFSA-N -1 1 322.329 0.442 20 0 DCADMM C[C@H](Nc1ncncc1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC001575458855 1164022116 /nfs/dbraw/zinc/02/21/16/1164022116.db2.gz HLUDETJORPECLB-JTQLQIEISA-N -1 1 324.348 0.774 20 0 DCADMM CC1(C)[C@H]2[C@H](CCCN2c2cc(-c3nnn[n-]3)ncn2)[C@@H]1O ZINC001575752499 1164134920 /nfs/dbraw/zinc/13/49/20/1164134920.db2.gz LNFCQYIKAPBLMQ-AXTRIDKLSA-N -1 1 301.354 0.642 20 0 DCADMM CC1(C)[C@H]2[C@H](CCCN2c2cc(-c3nn[n-]n3)ncn2)[C@@H]1O ZINC001575752499 1164134923 /nfs/dbraw/zinc/13/49/23/1164134923.db2.gz LNFCQYIKAPBLMQ-AXTRIDKLSA-N -1 1 301.354 0.642 20 0 DCADMM C[C@H]1OCC[C@H]1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001575795030 1164154937 /nfs/dbraw/zinc/15/49/37/1164154937.db2.gz QHLQMRYKCUBSSI-GHMZBOCLSA-N -1 1 307.350 0.448 20 0 DCADMM C[C@@]1(NC(=O)C2CC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575803179 1164158352 /nfs/dbraw/zinc/15/83/52/1164158352.db2.gz PZSJXHSXCNKWEO-CQSZACIVSA-N -1 1 314.353 0.152 20 0 DCADMM C[C@@]1(NC(=O)C2CC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575803179 1164158356 /nfs/dbraw/zinc/15/83/56/1164158356.db2.gz PZSJXHSXCNKWEO-CQSZACIVSA-N -1 1 314.353 0.152 20 0 DCADMM CC1CC(C(=O)NCCN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575960792 1164195145 /nfs/dbraw/zinc/19/51/45/1164195145.db2.gz WLPAXMSIYSEQIP-UHFFFAOYSA-N -1 1 316.369 0.255 20 0 DCADMM CC1CC(C(=O)NCCN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575960792 1164195151 /nfs/dbraw/zinc/19/51/51/1164195151.db2.gz WLPAXMSIYSEQIP-UHFFFAOYSA-N -1 1 316.369 0.255 20 0 DCADMM CCC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576415031 1164333950 /nfs/dbraw/zinc/33/39/50/1164333950.db2.gz ICUPRUWFJDOMMT-AWEZNQCLSA-N -1 1 316.369 0.139 20 0 DCADMM CCC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576414533 1164334389 /nfs/dbraw/zinc/33/43/89/1164334389.db2.gz CGBCLAIFVVFDDQ-SNVBAGLBSA-N -1 1 316.369 0.139 20 0 DCADMM CCC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001576445251 1164347193 /nfs/dbraw/zinc/34/71/93/1164347193.db2.gz QEANNHUIKQJROF-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001576445251 1164347198 /nfs/dbraw/zinc/34/71/98/1164347198.db2.gz QEANNHUIKQJROF-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576445446 1164348136 /nfs/dbraw/zinc/34/81/36/1164348136.db2.gz RIPIHTDAHJPXCS-UWVGGRQHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576445446 1164348143 /nfs/dbraw/zinc/34/81/43/1164348143.db2.gz RIPIHTDAHJPXCS-UWVGGRQHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001576445548 1164348744 /nfs/dbraw/zinc/34/87/44/1164348744.db2.gz SLLMGOAYTWEZFR-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001576445548 1164348751 /nfs/dbraw/zinc/34/87/51/1164348751.db2.gz SLLMGOAYTWEZFR-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001576487083 1164363160 /nfs/dbraw/zinc/36/31/60/1164363160.db2.gz LAVNXOSIRRKGBW-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001576487083 1164363166 /nfs/dbraw/zinc/36/31/66/1164363166.db2.gz LAVNXOSIRRKGBW-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576486274 1164363934 /nfs/dbraw/zinc/36/39/34/1164363934.db2.gz DDRNLAMNMKOOJO-SNVBAGLBSA-N -1 1 316.369 0.318 20 0 DCADMM CCC(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001576486274 1164363938 /nfs/dbraw/zinc/36/39/38/1164363938.db2.gz DDRNLAMNMKOOJO-SNVBAGLBSA-N -1 1 316.369 0.318 20 0 DCADMM CC[C@H](C)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576564920 1164393502 /nfs/dbraw/zinc/39/35/02/1164393502.db2.gz UXFHUSVKEPNIGG-UWVGGRQHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576564920 1164393504 /nfs/dbraw/zinc/39/35/04/1164393504.db2.gz UXFHUSVKEPNIGG-UWVGGRQHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576571551 1164398445 /nfs/dbraw/zinc/39/84/45/1164398445.db2.gz GYBUMTJWNQCVAH-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@H](C)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576571551 1164398452 /nfs/dbraw/zinc/39/84/52/1164398452.db2.gz GYBUMTJWNQCVAH-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576608060 1164409848 /nfs/dbraw/zinc/40/98/48/1164409848.db2.gz YZLMRWNWQMILIK-LPEHRKFASA-N -1 1 316.369 0.184 20 0 DCADMM CC[C@@H](CNC(=O)C1(C)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576780706 1164461391 /nfs/dbraw/zinc/46/13/91/1164461391.db2.gz ZHDCPOSBQATUFN-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)C1(C)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576780706 1164461394 /nfs/dbraw/zinc/46/13/94/1164461394.db2.gz ZHDCPOSBQATUFN-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576926120 1164536190 /nfs/dbraw/zinc/53/61/90/1164536190.db2.gz HJVFDPKFULOIBP-VIFPVBQESA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576926120 1164536200 /nfs/dbraw/zinc/53/62/00/1164536200.db2.gz HJVFDPKFULOIBP-VIFPVBQESA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576939623 1164545986 /nfs/dbraw/zinc/54/59/86/1164545986.db2.gz GQZQYVWFEHRDHQ-DTWKUNHWSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576939623 1164545994 /nfs/dbraw/zinc/54/59/94/1164545994.db2.gz GQZQYVWFEHRDHQ-DTWKUNHWSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576968312 1164562111 /nfs/dbraw/zinc/56/21/11/1164562111.db2.gz ABELJNOTTNXGQO-IWSPIJDZSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576968312 1164562119 /nfs/dbraw/zinc/56/21/19/1164562119.db2.gz ABELJNOTTNXGQO-IWSPIJDZSA-N -1 1 320.332 0.464 20 0 DCADMM CCCC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577185045 1164625268 /nfs/dbraw/zinc/62/52/68/1164625268.db2.gz QIWOVVDDMWDVAW-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001577203416 1164632827 /nfs/dbraw/zinc/63/28/27/1164632827.db2.gz YAOXOJVJNLTBIT-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001577203416 1164632829 /nfs/dbraw/zinc/63/28/29/1164632829.db2.gz YAOXOJVJNLTBIT-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001577213437 1164636288 /nfs/dbraw/zinc/63/62/88/1164636288.db2.gz COGSGGZAIYUCEO-JTQLQIEISA-N -1 1 316.369 0.185 20 0 DCADMM CCCC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001577210880 1164636738 /nfs/dbraw/zinc/63/67/38/1164636738.db2.gz OHSIGEVHSAKUID-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001577218868 1164639457 /nfs/dbraw/zinc/63/94/57/1164639457.db2.gz LWQUDQMCLHAYGG-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCC[C@@H](C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001577253121 1164652267 /nfs/dbraw/zinc/65/22/67/1164652267.db2.gz BLUTTXPHACTDME-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CCC[C@@H](C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001577253121 1164652270 /nfs/dbraw/zinc/65/22/70/1164652270.db2.gz BLUTTXPHACTDME-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CCC[C@@H](O)[C@H](CO)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001577327060 1164671169 /nfs/dbraw/zinc/67/11/69/1164671169.db2.gz YUMUINUTOPBOFQ-WDEREUQCSA-N -1 1 319.369 0.468 20 0 DCADMM CCC[C@@H](O)[C@H](CO)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001577327060 1164671172 /nfs/dbraw/zinc/67/11/72/1164671172.db2.gz YUMUINUTOPBOFQ-WDEREUQCSA-N -1 1 319.369 0.468 20 0 DCADMM Cc1ccc(-n2[n-]c(C(=O)NOCc3c[nH]nn3)cc2=O)cc1 ZINC001577354510 1164676142 /nfs/dbraw/zinc/67/61/42/1164676142.db2.gz IQAKBGABIOZARL-UHFFFAOYSA-N -1 1 314.305 0.454 20 0 DCADMM CCCC[C@@](C)(CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001577430304 1164690368 /nfs/dbraw/zinc/69/03/68/1164690368.db2.gz AACVLLYUGCGJDD-ZDUSSCGKSA-N -1 1 323.357 0.019 20 0 DCADMM CCCC[C@@H](NC(N)=O)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001577491197 1164704089 /nfs/dbraw/zinc/70/40/89/1164704089.db2.gz ILIYJJNWQTUKEE-SSDOTTSWSA-N -1 1 321.345 0.064 20 0 DCADMM CCCN(C(C)=O)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577547367 1164721752 /nfs/dbraw/zinc/72/17/52/1164721752.db2.gz JZUZQRGXOVGOHU-LLVKDONJSA-N -1 1 316.369 0.494 20 0 DCADMM CCCN(C(C)=O)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577547367 1164721757 /nfs/dbraw/zinc/72/17/57/1164721757.db2.gz JZUZQRGXOVGOHU-LLVKDONJSA-N -1 1 316.369 0.494 20 0 DCADMM CCN(CCNC(=O)CC(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001577954050 1164861531 /nfs/dbraw/zinc/86/15/31/1164861531.db2.gz DIPLNTFONUZOHQ-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCNC(=O)CC(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001577954050 1164861537 /nfs/dbraw/zinc/86/15/37/1164861537.db2.gz DIPLNTFONUZOHQ-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)c2ccc3c(c2)CCN3)n[n-]1 ZINC001578066002 1164915421 /nfs/dbraw/zinc/91/54/21/1164915421.db2.gz WISFGDARXFQNSF-UHFFFAOYSA-N -1 1 315.333 0.879 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc3c(c2)CCN3)n1 ZINC001578066002 1164915426 /nfs/dbraw/zinc/91/54/26/1164915426.db2.gz WISFGDARXFQNSF-UHFFFAOYSA-N -1 1 315.333 0.879 20 0 DCADMM CCN(CCNc1nc(C)cc(-c2nnn[n-]2)n1)C(=O)C1CC1 ZINC001578150974 1164939072 /nfs/dbraw/zinc/93/90/72/1164939072.db2.gz UQHMVYCAOZDAGI-UHFFFAOYSA-N -1 1 316.369 0.636 20 0 DCADMM CCN(CCNc1nc(C)cc(-c2nn[n-]n2)n1)C(=O)C1CC1 ZINC001578150974 1164939078 /nfs/dbraw/zinc/93/90/78/1164939078.db2.gz UQHMVYCAOZDAGI-UHFFFAOYSA-N -1 1 316.369 0.636 20 0 DCADMM CCO[C@@]1(C)C[C@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001578383575 1164994676 /nfs/dbraw/zinc/99/46/76/1164994676.db2.gz ZGGOAWOCEWCUGG-PELKAZGASA-N -1 1 323.382 0.690 20 0 DCADMM CCO[C@@]1(C)C[C@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001578383575 1164994679 /nfs/dbraw/zinc/99/46/79/1164994679.db2.gz ZGGOAWOCEWCUGG-PELKAZGASA-N -1 1 323.382 0.690 20 0 DCADMM CCc1nc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)co1 ZINC001578619726 1165070795 /nfs/dbraw/zinc/07/07/95/1165070795.db2.gz LOLNCHGYLCOOCJ-UHFFFAOYSA-N -1 1 317.313 0.472 20 0 DCADMM CCc1nc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)co1 ZINC001578619726 1165070800 /nfs/dbraw/zinc/07/08/00/1165070800.db2.gz LOLNCHGYLCOOCJ-UHFFFAOYSA-N -1 1 317.313 0.472 20 0 DCADMM CCc1nc(NC[C@H](O)c2cncs2)cc(-c2nnn[n-]2)n1 ZINC001578652911 1165081419 /nfs/dbraw/zinc/08/14/19/1165081419.db2.gz MPKGTWTUYBEINI-QMMMGPOBSA-N -1 1 318.366 0.821 20 0 DCADMM CCc1nc(NC[C@H](O)c2cncs2)cc(-c2nn[n-]n2)n1 ZINC001578652911 1165081427 /nfs/dbraw/zinc/08/14/27/1165081427.db2.gz MPKGTWTUYBEINI-QMMMGPOBSA-N -1 1 318.366 0.821 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)CC1CC1 ZINC001579211275 1165239194 /nfs/dbraw/zinc/23/91/94/1165239194.db2.gz UZOZMOVHXFQEDA-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)CC1CC1 ZINC001579211275 1165239199 /nfs/dbraw/zinc/23/91/99/1165239199.db2.gz UZOZMOVHXFQEDA-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CN1c2ccccc2CN(c2ccc(-c3nnn[n-]3)nn2)CC1=O ZINC001579308141 1165266982 /nfs/dbraw/zinc/26/69/82/1165266982.db2.gz CRCRYCITRSPUFK-UHFFFAOYSA-N -1 1 322.332 0.640 20 0 DCADMM CN1c2ccccc2CN(c2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC001579308141 1165266990 /nfs/dbraw/zinc/26/69/90/1165266990.db2.gz CRCRYCITRSPUFK-UHFFFAOYSA-N -1 1 322.332 0.640 20 0 DCADMM CN1C(=O)c2ccccc2[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001579311344 1165268817 /nfs/dbraw/zinc/26/88/17/1165268817.db2.gz IAYHUUCSYNZEAB-LLVKDONJSA-N -1 1 322.332 0.896 20 0 DCADMM CN1C(=O)c2ccccc2[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001579311344 1165268823 /nfs/dbraw/zinc/26/88/23/1165268823.db2.gz IAYHUUCSYNZEAB-LLVKDONJSA-N -1 1 322.332 0.896 20 0 DCADMM CNc1ncc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001579431248 1165308398 /nfs/dbraw/zinc/30/83/98/1165308398.db2.gz HRYBWAXDJHXYIT-UHFFFAOYSA-N -1 1 322.379 0.751 20 0 DCADMM CNc1ncc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001579431248 1165308405 /nfs/dbraw/zinc/30/84/05/1165308405.db2.gz HRYBWAXDJHXYIT-UHFFFAOYSA-N -1 1 322.379 0.751 20 0 DCADMM COC(=O)N(C)CCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579453127 1165315395 /nfs/dbraw/zinc/31/53/95/1165315395.db2.gz OQCCGYGCAOAJLT-UHFFFAOYSA-N -1 1 320.313 0.081 20 0 DCADMM COC(=O)N(C)CCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579453127 1165315400 /nfs/dbraw/zinc/31/54/00/1165315400.db2.gz OQCCGYGCAOAJLT-UHFFFAOYSA-N -1 1 320.313 0.081 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001579466572 1165318167 /nfs/dbraw/zinc/31/81/67/1165318167.db2.gz BNYQGJSMWUXJBH-SFYZADRCSA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001579466572 1165318173 /nfs/dbraw/zinc/31/81/73/1165318173.db2.gz BNYQGJSMWUXJBH-SFYZADRCSA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)[C@@H]1[C@H](CNc2ncncc2-c2nn[n-]n2)C1(F)F ZINC001579472078 1165321849 /nfs/dbraw/zinc/32/18/49/1165321849.db2.gz DNZLIXNKVVWIQA-BQBZGAKWSA-N -1 1 311.252 0.123 20 0 DCADMM COC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)ccc2=O)cc1 ZINC001579482391 1165326000 /nfs/dbraw/zinc/32/60/00/1165326000.db2.gz GXUAMRAQMKKSKB-UHFFFAOYSA-N -1 1 311.301 0.863 20 0 DCADMM COC[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C1CC1 ZINC001579697751 1165379585 /nfs/dbraw/zinc/37/95/85/1165379585.db2.gz PTCFWARRORPKSL-JTQLQIEISA-N -1 1 318.337 0.431 20 0 DCADMM CO[C@@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC001579848365 1165410091 /nfs/dbraw/zinc/41/00/91/1165410091.db2.gz CDGGBKMHPIUGQY-LLVKDONJSA-N -1 1 313.321 0.926 20 0 DCADMM CO[C@@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC001579848365 1165410098 /nfs/dbraw/zinc/41/00/98/1165410098.db2.gz CDGGBKMHPIUGQY-LLVKDONJSA-N -1 1 313.321 0.926 20 0 DCADMM CO[C@@H]1CCC[C@H]1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001579849963 1165411186 /nfs/dbraw/zinc/41/11/86/1165411186.db2.gz GJTQBDYSUXMPBZ-NXEZZACHSA-N -1 1 318.337 0.573 20 0 DCADMM COc1cc(CCNc2ccnc(-c3nn[n-]n3)n2)ccc1O ZINC001579922960 1165438127 /nfs/dbraw/zinc/43/81/27/1165438127.db2.gz KHABOTRKKFTNPL-UHFFFAOYSA-N -1 1 313.321 0.447 20 0 DCADMM COc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1OC ZINC001579988865 1165462326 /nfs/dbraw/zinc/46/23/26/1165462326.db2.gz WPDMGBNWWRRXCE-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM COc1cccc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)n1 ZINC001580061714 1165489764 /nfs/dbraw/zinc/48/97/64/1165489764.db2.gz QWKZRGKBQJEGSW-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1cccc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)n1 ZINC001580061714 1165489770 /nfs/dbraw/zinc/48/97/70/1165489770.db2.gz QWKZRGKBQJEGSW-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1cccc(OCC(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001580070842 1165491975 /nfs/dbraw/zinc/49/19/75/1165491975.db2.gz FKFZQCZWAZVHSO-UHFFFAOYSA-N -1 1 315.293 0.616 20 0 DCADMM COc1ccnc(N(C)C(=O)c2ccc(-c3nn[nH]n3)o2)n1 ZINC001580094976 1165501349 /nfs/dbraw/zinc/50/13/49/1165501349.db2.gz CDQBNMQESLGKBS-UHFFFAOYSA-N -1 1 301.266 0.535 20 0 DCADMM COc1ccnc(N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001580094976 1165501355 /nfs/dbraw/zinc/50/13/55/1165501355.db2.gz CDQBNMQESLGKBS-UHFFFAOYSA-N -1 1 301.266 0.535 20 0 DCADMM CS(=O)(=O)c1ccnc(Oc2cccnc2-c2nnn[n-]2)n1 ZINC001580172437 1165527273 /nfs/dbraw/zinc/52/72/73/1165527273.db2.gz XZCOMHQMNRHXSL-UHFFFAOYSA-N -1 1 319.306 0.248 20 0 DCADMM CS(=O)(=O)c1ccnc(Oc2cccnc2-c2nn[n-]n2)n1 ZINC001580172437 1165527280 /nfs/dbraw/zinc/52/72/80/1165527280.db2.gz XZCOMHQMNRHXSL-UHFFFAOYSA-N -1 1 319.306 0.248 20 0 DCADMM CSc1nc(CNc2nnccc2-c2nn[nH]n2)cc(=O)[n-]1 ZINC001580238782 1165544388 /nfs/dbraw/zinc/54/43/88/1165544388.db2.gz WMYROSJPCPBAGN-UHFFFAOYSA-N -1 1 317.338 0.486 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCC1CC1 ZINC001580285400 1165558639 /nfs/dbraw/zinc/55/86/39/1165558639.db2.gz UPWMRQMFCSLYPY-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCC1CC1 ZINC001580285400 1165558644 /nfs/dbraw/zinc/55/86/44/1165558644.db2.gz UPWMRQMFCSLYPY-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1=CCCC1 ZINC001580295386 1165561951 /nfs/dbraw/zinc/56/19/51/1165561951.db2.gz JYKHNIIMASFFJI-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1=CCCC1 ZINC001580295386 1165561956 /nfs/dbraw/zinc/56/19/56/1165561956.db2.gz JYKHNIIMASFFJI-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)C ZINC001580299780 1165563669 /nfs/dbraw/zinc/56/36/69/1165563669.db2.gz GCGXXZTXWFZRPY-QMMMGPOBSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)C ZINC001580299780 1165563672 /nfs/dbraw/zinc/56/36/72/1165563672.db2.gz GCGXXZTXWFZRPY-QMMMGPOBSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001580373658 1165588760 /nfs/dbraw/zinc/58/87/60/1165588760.db2.gz PVRRVAOREDTJBR-SCZZXKLOSA-N -1 1 314.353 0.150 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001580373658 1165588769 /nfs/dbraw/zinc/58/87/69/1165588769.db2.gz PVRRVAOREDTJBR-SCZZXKLOSA-N -1 1 314.353 0.150 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1=CCCC1 ZINC001580413722 1165595019 /nfs/dbraw/zinc/59/50/19/1165595019.db2.gz VTPGOQATBUCHRO-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1=CCCC1 ZINC001580413722 1165595027 /nfs/dbraw/zinc/59/50/27/1165595027.db2.gz VTPGOQATBUCHRO-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM Nc1cccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001580455334 1165607056 /nfs/dbraw/zinc/60/70/56/1165607056.db2.gz JKQVZEHLBXXZSQ-UHFFFAOYSA-N -1 1 300.318 0.767 20 0 DCADMM Cc1c(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)nnn1C ZINC001580557247 1165639068 /nfs/dbraw/zinc/63/90/68/1165639068.db2.gz BWLCXZMBQYBGBI-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@@H](CO)[C@@H]1C ZINC001580597519 1165649629 /nfs/dbraw/zinc/64/96/29/1165649629.db2.gz ICJPZWNSUZVVDL-IUCAKERBSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H](C)CCCO ZINC001580605381 1165653998 /nfs/dbraw/zinc/65/39/98/1165653998.db2.gz YRDQSYRXRBZJJC-QMMMGPOBSA-N -1 1 320.353 0.414 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1cccn1C ZINC001580605767 1165654022 /nfs/dbraw/zinc/65/40/22/1165654022.db2.gz IJUPNQHBFLUWPH-UHFFFAOYSA-N -1 1 313.321 0.544 20 0 DCADMM Cc1oncc1CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001580605861 1165654180 /nfs/dbraw/zinc/65/41/80/1165654180.db2.gz MWZVLZOTOIMVIJ-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC[C@H]1CCOC1 ZINC001580605754 1165654354 /nfs/dbraw/zinc/65/43/54/1165654354.db2.gz HPKKFJJVRKGYGN-VIFPVBQESA-N -1 1 318.337 0.432 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H](C)NC(=O)C2CC2)n1 ZINC001580686006 1165687134 /nfs/dbraw/zinc/68/71/34/1165687134.db2.gz ZOODXWMRLXNLPD-RKDXNWHRSA-N -1 1 316.369 0.680 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H](C)NC(=O)C2CC2)n1 ZINC001580686006 1165687138 /nfs/dbraw/zinc/68/71/38/1165687138.db2.gz ZOODXWMRLXNLPD-RKDXNWHRSA-N -1 1 316.369 0.680 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)C2CCC2)n1 ZINC001580696742 1165689461 /nfs/dbraw/zinc/68/94/61/1165689461.db2.gz XVKLXOBSOQWECR-SECBINFHSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)C2CCC2)n1 ZINC001580696742 1165689467 /nfs/dbraw/zinc/68/94/67/1165689467.db2.gz XVKLXOBSOQWECR-SECBINFHSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)NC(=O)[C@@H]2C[C@H]2C)n1 ZINC001580749853 1165708786 /nfs/dbraw/zinc/70/87/86/1165708786.db2.gz BEPOTYYUQQPVLC-FKTZTGRPSA-N -1 1 316.369 0.538 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)NC(=O)[C@@H]2C[C@H]2C)n1 ZINC001580749853 1165708794 /nfs/dbraw/zinc/70/87/94/1165708794.db2.gz BEPOTYYUQQPVLC-FKTZTGRPSA-N -1 1 316.369 0.538 20 0 DCADMM Cc1ccc(COCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001581201692 1165797431 /nfs/dbraw/zinc/79/74/31/1165797431.db2.gz OJQMCYGHNSXPTI-UHFFFAOYSA-N -1 1 313.321 0.811 20 0 DCADMM Cc1ccc(F)cc1Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001581206709 1165797985 /nfs/dbraw/zinc/79/79/85/1165797985.db2.gz FJLCKKMZEYZYHC-UHFFFAOYSA-N -1 1 302.269 0.625 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2CCCCN(C)C2=O)c1-c1nn[n-]n1 ZINC001581402815 1165821623 /nfs/dbraw/zinc/82/16/23/1165821623.db2.gz LKCISEXGDQHYQJ-QMMMGPOBSA-N -1 1 318.341 0.095 20 0 DCADMM Cc1[nH]nc(NC(=O)Cc2ccccc2CO)c1-c1nn[n-]n1 ZINC001581402845 1165822323 /nfs/dbraw/zinc/82/23/23/1165822323.db2.gz MJNOBDRLSZOBHQ-UHFFFAOYSA-N -1 1 313.321 0.572 20 0 DCADMM Cc1nsc(NC(=O)CCc2ccnn2C)c1-c1nnn[n-]1 ZINC001581683596 1165857610 /nfs/dbraw/zinc/85/76/10/1165857610.db2.gz FEFAZVXQPBDTCW-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1nsc(NC(=O)CCc2ccnn2C)c1-c1nn[n-]n1 ZINC001581683596 1165857616 /nfs/dbraw/zinc/85/76/16/1165857616.db2.gz FEFAZVXQPBDTCW-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1nsc(NC(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c1-c1nnn[n-]1 ZINC001581685707 1165859278 /nfs/dbraw/zinc/85/92/78/1165859278.db2.gz QGCBJJXNGKVGTO-JIGDXULJSA-N -1 1 321.366 0.334 20 0 DCADMM Cc1nsc(NC(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c1-c1nn[n-]n1 ZINC001581685707 1165859287 /nfs/dbraw/zinc/85/92/87/1165859287.db2.gz QGCBJJXNGKVGTO-JIGDXULJSA-N -1 1 321.366 0.334 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@]1(C)CCC(=O)N1 ZINC001581727456 1165862079 /nfs/dbraw/zinc/86/20/79/1165862079.db2.gz YCRJJSVKALNLAB-ZDUSSCGKSA-N -1 1 304.310 0.167 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@]1(C)CCC(=O)N1 ZINC001581727456 1165862088 /nfs/dbraw/zinc/86/20/88/1165862088.db2.gz YCRJJSVKALNLAB-ZDUSSCGKSA-N -1 1 304.310 0.167 20 0 DCADMM Cn1cc([C@H](CO)NC(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001581765080 1165869557 /nfs/dbraw/zinc/86/95/57/1165869557.db2.gz WHOJGGGRCIFQFE-VIFPVBQESA-N -1 1 319.350 0.125 20 0 DCADMM Cn1ncc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1C(F)F ZINC001581830152 1165883872 /nfs/dbraw/zinc/88/38/72/1165883872.db2.gz HLYHVFBHHBTESY-UHFFFAOYSA-N -1 1 309.240 0.513 20 0 DCADMM Fc1cccc2nc(NCCn3cnc(-c4nn[n-]n4)n3)oc21 ZINC001581855785 1165889339 /nfs/dbraw/zinc/88/93/39/1165889339.db2.gz MULXAXXPXQAGJP-UHFFFAOYSA-N -1 1 315.272 0.851 20 0 DCADMM NC(=O)N1CCC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001581895555 1165907612 /nfs/dbraw/zinc/90/76/12/1165907612.db2.gz NVOUHZXWRPHLHA-SSDOTTSWSA-N -1 1 322.760 0.870 20 0 DCADMM NC(=O)N1CCC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001581895555 1165907619 /nfs/dbraw/zinc/90/76/19/1165907619.db2.gz NVOUHZXWRPHLHA-SSDOTTSWSA-N -1 1 322.760 0.870 20 0 DCADMM Nc1nnc(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)o1 ZINC001581911111 1165912657 /nfs/dbraw/zinc/91/26/57/1165912657.db2.gz BYGIFYNDIJNOBY-UHFFFAOYSA-N -1 1 314.313 0.006 20 0 DCADMM Nc1nnc(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)o1 ZINC001581911111 1165912664 /nfs/dbraw/zinc/91/26/64/1165912664.db2.gz BYGIFYNDIJNOBY-UHFFFAOYSA-N -1 1 314.313 0.006 20 0 DCADMM CC(C)(C)C(=O)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001581964617 1165924663 /nfs/dbraw/zinc/92/46/63/1165924663.db2.gz GPXGUWZBXFRZKH-UHFFFAOYSA-N -1 1 305.334 0.343 20 0 DCADMM O=C(COc1cc(F)cc(F)c1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582126843 1165962343 /nfs/dbraw/zinc/96/23/43/1165962343.db2.gz FFOCLLKCUXJSSZ-UHFFFAOYSA-N -1 1 321.247 0.886 20 0 DCADMM O=C(COc1cccnc1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001582131967 1165964601 /nfs/dbraw/zinc/96/46/01/1165964601.db2.gz ZMOIQUGLDIZQCS-UHFFFAOYSA-N -1 1 317.334 0.413 20 0 DCADMM O=C(COc1cccnc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001582131967 1165964607 /nfs/dbraw/zinc/96/46/07/1165964607.db2.gz ZMOIQUGLDIZQCS-UHFFFAOYSA-N -1 1 317.334 0.413 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cnn(C2CCC2)c1 ZINC001582199694 1165982558 /nfs/dbraw/zinc/98/25/58/1165982558.db2.gz VQBZOYSHFYUDDN-UHFFFAOYSA-N -1 1 314.313 0.018 20 0 DCADMM O=C(N[C@H](CO)c1ccccn1)c1ccsc1-c1nnn[n-]1 ZINC001582232619 1165988168 /nfs/dbraw/zinc/98/81/68/1165988168.db2.gz OMHHQZFONPAABH-SNVBAGLBSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@H](CO)c1ccccn1)c1ccsc1-c1nn[n-]n1 ZINC001582232619 1165988172 /nfs/dbraw/zinc/98/81/72/1165988172.db2.gz OMHHQZFONPAABH-SNVBAGLBSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)C1CC1 ZINC001582361743 1166006010 /nfs/dbraw/zinc/00/60/10/1166006010.db2.gz GOLKJFCMECULTD-JTQLQIEISA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)C1CC1 ZINC001582361743 1166006015 /nfs/dbraw/zinc/00/60/15/1166006015.db2.gz GOLKJFCMECULTD-JTQLQIEISA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)C1CC1 ZINC001582366541 1166007084 /nfs/dbraw/zinc/00/70/84/1166007084.db2.gz DXJTZBNSZABQPI-JTQLQIEISA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)C1CC1 ZINC001582366541 1166007090 /nfs/dbraw/zinc/00/70/90/1166007090.db2.gz DXJTZBNSZABQPI-JTQLQIEISA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@@H](O)C1CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001582369265 1166007315 /nfs/dbraw/zinc/00/73/15/1166007315.db2.gz XMRVPABNXIBPFV-SNVBAGLBSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001582543239 1166035593 /nfs/dbraw/zinc/03/55/93/1166035593.db2.gz SINAKFSUHHWHLY-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001582543239 1166035600 /nfs/dbraw/zinc/03/56/00/1166035600.db2.gz SINAKFSUHHWHLY-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CC(O)(C2CC2)C1 ZINC001582548504 1166038295 /nfs/dbraw/zinc/03/82/95/1166038295.db2.gz BYNNJQNVHFFFIE-UHFFFAOYSA-N -1 1 320.378 0.595 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H]1CCC[C@@H]1O ZINC001582549585 1166039852 /nfs/dbraw/zinc/03/98/52/1166039852.db2.gz GDXWQWBXTUGCHK-IUCAKERBSA-N -1 1 308.367 0.641 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001582557991 1166043678 /nfs/dbraw/zinc/04/36/78/1166043678.db2.gz BYTTVWJRZAGUHA-XLPZGREQSA-N -1 1 318.362 0.555 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001582557991 1166043686 /nfs/dbraw/zinc/04/36/86/1166043686.db2.gz BYTTVWJRZAGUHA-XLPZGREQSA-N -1 1 318.362 0.555 20 0 DCADMM O=C(N[C@@H](CO)C(F)(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001582563055 1166046705 /nfs/dbraw/zinc/04/67/05/1166046705.db2.gz VYOTWROWGXLCGE-ZETCQYMHSA-N -1 1 319.218 0.659 20 0 DCADMM O=C(N[C@@H](CO)C(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001582563055 1166046709 /nfs/dbraw/zinc/04/67/09/1166046709.db2.gz VYOTWROWGXLCGE-ZETCQYMHSA-N -1 1 319.218 0.659 20 0 DCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1COCCO1 ZINC001582654066 1166061239 /nfs/dbraw/zinc/06/12/39/1166061239.db2.gz XMSVNXWUZXHSTM-BYPYZUCNSA-N -1 1 316.730 0.331 20 0 DCADMM O=C(N[C@]12CC(=O)N[C@H]1CCCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001582777827 1166080423 /nfs/dbraw/zinc/08/04/23/1166080423.db2.gz LPSHSQLKIHCINC-IINYFYTJSA-N -1 1 316.321 0.391 20 0 DCADMM O=C(N[C@]12CC(=O)N[C@H]1CCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001582777827 1166080426 /nfs/dbraw/zinc/08/04/26/1166080426.db2.gz LPSHSQLKIHCINC-IINYFYTJSA-N -1 1 316.321 0.391 20 0 DCADMM O[C@H](CNc1cc(-c2nnn[n-]2)ncn1)Cc1ccc(F)cc1 ZINC001582809326 1166088941 /nfs/dbraw/zinc/08/89/41/1166088941.db2.gz IIFXHNSITCADCR-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1cc(-c2nn[n-]n2)ncn1)Cc1ccc(F)cc1 ZINC001582809326 1166088945 /nfs/dbraw/zinc/08/89/45/1166088945.db2.gz IIFXHNSITCADCR-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC[C@H]1O ZINC001582812061 1166092138 /nfs/dbraw/zinc/09/21/38/1166092138.db2.gz IKGJRFCTPHCMAD-PHDIDXHHSA-N -1 1 316.774 0.156 20 0 DCADMM OC[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC[C@H]1O ZINC001582812061 1166092146 /nfs/dbraw/zinc/09/21/46/1166092146.db2.gz IKGJRFCTPHCMAD-PHDIDXHHSA-N -1 1 316.774 0.156 20 0 DCADMM OCc1cc(CCNc2cc(-c3nnn[n-]3)ncn2)ccc1O ZINC001582813885 1166093125 /nfs/dbraw/zinc/09/31/25/1166093125.db2.gz HOCUPGGKNKZUAY-UHFFFAOYSA-N -1 1 313.321 0.509 20 0 DCADMM OCc1cc(CCNc2cc(-c3nn[n-]n3)ncn2)ccc1O ZINC001582813885 1166093131 /nfs/dbraw/zinc/09/31/31/1166093131.db2.gz HOCUPGGKNKZUAY-UHFFFAOYSA-N -1 1 313.321 0.509 20 0 DCADMM c1cc([C@@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CCO2)ccn1 ZINC001582817256 1166097604 /nfs/dbraw/zinc/09/76/04/1166097604.db2.gz BEUSMDSVVFDAGB-NEPJUHHUSA-N -1 1 324.348 0.806 20 0 DCADMM c1cc(CNc2ccnc(-c3nn[n-]n3)n2)cc(OCC2CC2)n1 ZINC001582817221 1166097636 /nfs/dbraw/zinc/09/76/36/1166097636.db2.gz ZYUVCHDGSGEKJS-UHFFFAOYSA-N -1 1 324.348 0.875 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ns[nH]c1=O ZINC001586104825 1166477650 /nfs/dbraw/zinc/47/76/50/1166477650.db2.gz CNPQAVUXGYZFQQ-SSDOTTSWSA-N -1 1 303.307 0.276 20 0 DCADMM CC(=O)N(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001588802127 1166591293 /nfs/dbraw/zinc/59/12/93/1166591293.db2.gz LMLNTSPTVRZRPB-UHFFFAOYSA-N -1 1 304.358 0.350 20 0 DCADMM CC(=O)N(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001588802127 1166591299 /nfs/dbraw/zinc/59/12/99/1166591299.db2.gz LMLNTSPTVRZRPB-UHFFFAOYSA-N -1 1 304.358 0.350 20 0 DCADMM CC(=O)N1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588810684 1166594268 /nfs/dbraw/zinc/59/42/68/1166594268.db2.gz FYBWDLBSCCKTIX-SNVBAGLBSA-N -1 1 302.342 0.245 20 0 DCADMM CC(=O)N1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588810684 1166594272 /nfs/dbraw/zinc/59/42/72/1166594272.db2.gz FYBWDLBSCCKTIX-SNVBAGLBSA-N -1 1 302.342 0.245 20 0 DCADMM CC(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588811061 1166594628 /nfs/dbraw/zinc/59/46/28/1166594628.db2.gz XKTHMZZAEIGTDW-UHFFFAOYSA-N -1 1 302.342 0.470 20 0 DCADMM CC(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588811061 1166594634 /nfs/dbraw/zinc/59/46/34/1166594634.db2.gz XKTHMZZAEIGTDW-UHFFFAOYSA-N -1 1 302.342 0.470 20 0 DCADMM CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)CC(C)C ZINC001588838234 1166603631 /nfs/dbraw/zinc/60/36/31/1166603631.db2.gz VSZYYJZNXDHRFU-JTQLQIEISA-N -1 1 304.358 0.619 20 0 DCADMM CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)CC(C)C ZINC001588838234 1166603638 /nfs/dbraw/zinc/60/36/38/1166603638.db2.gz VSZYYJZNXDHRFU-JTQLQIEISA-N -1 1 304.358 0.619 20 0 DCADMM CC(=O)NC(C)(C)COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001588831444 1166604111 /nfs/dbraw/zinc/60/41/11/1166604111.db2.gz MQIAAJSDFVZAJB-UHFFFAOYSA-N -1 1 307.310 0.840 20 0 DCADMM CC(=O)NC(C)(C)COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001588831444 1166604114 /nfs/dbraw/zinc/60/41/14/1166604114.db2.gz MQIAAJSDFVZAJB-UHFFFAOYSA-N -1 1 307.310 0.840 20 0 DCADMM CC(=O)NCC1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001588854059 1166608361 /nfs/dbraw/zinc/60/83/61/1166608361.db2.gz AMXITXLOZAKVCY-UHFFFAOYSA-N -1 1 301.354 0.614 20 0 DCADMM CC(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001588854059 1166608366 /nfs/dbraw/zinc/60/83/66/1166608366.db2.gz AMXITXLOZAKVCY-UHFFFAOYSA-N -1 1 301.354 0.614 20 0 DCADMM C[C@@H](C(=O)N(C)C(C1CC1)C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588936260 1166619367 /nfs/dbraw/zinc/61/93/67/1166619367.db2.gz FRWGDWPCGUZHEB-QMMMGPOBSA-N -1 1 316.369 0.666 20 0 DCADMM C[C@@H](N(C)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588936835 1166619960 /nfs/dbraw/zinc/61/99/60/1166619960.db2.gz MGXQWNYIDCOVAD-DTWKUNHWSA-N -1 1 306.374 0.912 20 0 DCADMM C[C@@H](C(=O)N(C)Cc1ccc[nH]1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943513 1166621406 /nfs/dbraw/zinc/62/14/06/1166621406.db2.gz QTBHTKNKCNRDQF-QMMMGPOBSA-N -1 1 301.314 0.006 20 0 DCADMM C[C@@H](C(=O)NC[C@]1(C)CCCS1)n1cnc(-c2nn[n-]n2)n1 ZINC001588978817 1166623369 /nfs/dbraw/zinc/62/33/69/1166623369.db2.gz OTJVSIAVSJOIPF-UFBFGSQYSA-N -1 1 322.398 0.421 20 0 DCADMM C[C@@H](C(=O)N[C@H]1CCC(C)(C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588972410 1166624039 /nfs/dbraw/zinc/62/40/39/1166624039.db2.gz KAOCOTTVWXCGJB-IUCAKERBSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@@H](C(=O)NCCCC(F)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588990946 1166626053 /nfs/dbraw/zinc/62/60/53/1166626053.db2.gz ZAELVENBFIDCSE-LURJTMIESA-N -1 1 318.263 0.478 20 0 DCADMM C[C@@H](C(=O)OCc1nccs1)n1cnc(-c2nn[n-]n2)n1 ZINC001589032910 1166630375 /nfs/dbraw/zinc/63/03/75/1166630375.db2.gz RYTFLAVJVDWGMC-LURJTMIESA-N -1 1 306.311 0.219 20 0 DCADMM CC(C)(C(=O)n1ncc(-c2nn[n-]n2)c1N)C1CCC(O)CC1 ZINC001589064988 1166633415 /nfs/dbraw/zinc/63/34/15/1166633415.db2.gz XQDCFNBINSPUJO-UHFFFAOYSA-N -1 1 319.369 0.863 20 0 DCADMM CC(C)(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)n1cccn1 ZINC001589061857 1166633590 /nfs/dbraw/zinc/63/35/90/1166633590.db2.gz MVUMHMJWRRMMIN-UHFFFAOYSA-N -1 1 313.321 0.937 20 0 DCADMM CC(C)(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)n1cccn1 ZINC001589061857 1166633592 /nfs/dbraw/zinc/63/35/92/1166633592.db2.gz MVUMHMJWRRMMIN-UHFFFAOYSA-N -1 1 313.321 0.937 20 0 DCADMM CC(C)(C)/C=C\C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001589109852 1166635618 /nfs/dbraw/zinc/63/56/18/1166635618.db2.gz CCBWPBKDWDVZCT-SREVYHEPSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)/C=C\C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001589109852 1166635630 /nfs/dbraw/zinc/63/56/30/1166635630.db2.gz CCBWPBKDWDVZCT-SREVYHEPSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)OC(=O)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589156421 1166639813 /nfs/dbraw/zinc/63/98/13/1166639813.db2.gz VNAGDEVURLWYHW-UHFFFAOYSA-N -1 1 319.321 0.689 20 0 DCADMM CC(C)(C)OC(=O)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589156421 1166639815 /nfs/dbraw/zinc/63/98/15/1166639815.db2.gz VNAGDEVURLWYHW-UHFFFAOYSA-N -1 1 319.321 0.689 20 0 DCADMM CC(C)(CCS(C)(=O)=O)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589275707 1166641604 /nfs/dbraw/zinc/64/16/04/1166641604.db2.gz HDYWDNVODVBAOP-UHFFFAOYSA-N -1 1 311.371 0.282 20 0 DCADMM CC(C)(CCS(C)(=O)=O)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589275707 1166641613 /nfs/dbraw/zinc/64/16/13/1166641613.db2.gz HDYWDNVODVBAOP-UHFFFAOYSA-N -1 1 311.371 0.282 20 0 DCADMM CC(C)(CCCO)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589275581 1166642694 /nfs/dbraw/zinc/64/26/94/1166642694.db2.gz BBVVLAPZLJNUCG-UHFFFAOYSA-N -1 1 304.354 0.790 20 0 DCADMM CC(C)(CCCO)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589275581 1166642698 /nfs/dbraw/zinc/64/26/98/1166642698.db2.gz BBVVLAPZLJNUCG-UHFFFAOYSA-N -1 1 304.354 0.790 20 0 DCADMM CC(C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589411435 1166656461 /nfs/dbraw/zinc/65/64/61/1166656461.db2.gz PZWIFFBXRCZJFV-KYZUINATSA-N -1 1 302.342 0.372 20 0 DCADMM CC(C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589411435 1166656466 /nfs/dbraw/zinc/65/64/66/1166656466.db2.gz PZWIFFBXRCZJFV-KYZUINATSA-N -1 1 302.342 0.372 20 0 DCADMM CC(C)C(C)(C)Sc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001589425582 1166656768 /nfs/dbraw/zinc/65/67/68/1166656768.db2.gz VQKMPUHGTGOMDP-UHFFFAOYSA-N -1 1 324.410 0.791 20 0 DCADMM CC(C)[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)C(N)=O ZINC001589428323 1166656879 /nfs/dbraw/zinc/65/68/79/1166656879.db2.gz LSTOQHNADWZVBI-LBPRGKRZSA-N -1 1 308.367 0.558 20 0 DCADMM CC(C)[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)C(N)=O ZINC001589428323 1166656884 /nfs/dbraw/zinc/65/68/84/1166656884.db2.gz LSTOQHNADWZVBI-LBPRGKRZSA-N -1 1 308.367 0.558 20 0 DCADMM CC(C)C(C)(C)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589425614 1166657595 /nfs/dbraw/zinc/65/75/95/1166657595.db2.gz WVQJTFPMSFRAJY-UHFFFAOYSA-N -1 1 307.362 0.192 20 0 DCADMM CC(C)[C@H](CO)ONC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589459310 1166658818 /nfs/dbraw/zinc/65/88/18/1166658818.db2.gz AJHVEVARQXSLKT-JTQLQIEISA-N -1 1 309.301 0.684 20 0 DCADMM CC(C)[C@H](CO)ONC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589459310 1166658822 /nfs/dbraw/zinc/65/88/22/1166658822.db2.gz AJHVEVARQXSLKT-JTQLQIEISA-N -1 1 309.301 0.684 20 0 DCADMM CC(C)[C@H](CCO)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589441530 1166659714 /nfs/dbraw/zinc/65/97/14/1166659714.db2.gz FKQVGSZQBLUBOT-JTQLQIEISA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)[C@H](CCO)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589441530 1166659719 /nfs/dbraw/zinc/65/97/19/1166659719.db2.gz FKQVGSZQBLUBOT-JTQLQIEISA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)[C@H](O)CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001589479255 1166662163 /nfs/dbraw/zinc/66/21/63/1166662163.db2.gz AOPBPYKXILMARO-GFCCVEGCSA-N -1 1 303.366 0.924 20 0 DCADMM CC(C)CC(=O)N(C)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001589521345 1166664821 /nfs/dbraw/zinc/66/48/21/1166664821.db2.gz VYGPFNNHHVJYKH-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CC(C)CC(=O)N(C)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001589521345 1166664829 /nfs/dbraw/zinc/66/48/29/1166664829.db2.gz VYGPFNNHHVJYKH-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CC(C)C[C@@H](O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589563272 1166666632 /nfs/dbraw/zinc/66/66/32/1166666632.db2.gz XIRAUVYVMLTHHL-LLVKDONJSA-N -1 1 304.354 0.327 20 0 DCADMM CC(C)C[C@@H](O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589563272 1166666634 /nfs/dbraw/zinc/66/66/34/1166666634.db2.gz XIRAUVYVMLTHHL-LLVKDONJSA-N -1 1 304.354 0.327 20 0 DCADMM CC(C)C[C@H]1C(=O)NCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001589572173 1166667846 /nfs/dbraw/zinc/66/78/46/1166667846.db2.gz OZUHFWVPQUVKJO-NSHDSACASA-N -1 1 304.354 0.806 20 0 DCADMM CC(C)C[C@H]1C(=O)NCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001589572173 1166667848 /nfs/dbraw/zinc/66/78/48/1166667848.db2.gz OZUHFWVPQUVKJO-NSHDSACASA-N -1 1 304.354 0.806 20 0 DCADMM CC(C)COC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589644203 1166670699 /nfs/dbraw/zinc/67/06/99/1166670699.db2.gz TXBBLUJYJUESJI-SECBINFHSA-N -1 1 309.326 0.223 20 0 DCADMM CC(C)COC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589644203 1166670704 /nfs/dbraw/zinc/67/07/04/1166670704.db2.gz TXBBLUJYJUESJI-SECBINFHSA-N -1 1 309.326 0.223 20 0 DCADMM CC(C)N1C(=O)C(=O)N(Cc2ccc(-c3nn[n-]n3)s2)C1=O ZINC001589709734 1166673173 /nfs/dbraw/zinc/67/31/73/1166673173.db2.gz WKXSRAXMALJZHL-UHFFFAOYSA-N -1 1 320.334 0.627 20 0 DCADMM CC(C)N(C[C@@H]1CCC(=O)N1)c1ccnc(-c2nn[n-]n2)n1 ZINC001589679251 1166673301 /nfs/dbraw/zinc/67/33/01/1166673301.db2.gz JYYIFWVHLTZNLR-VIFPVBQESA-N -1 1 302.342 0.150 20 0 DCADMM CC(C)N1C(=O)C(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001589709663 1166674940 /nfs/dbraw/zinc/67/49/40/1166674940.db2.gz SPGMKDXPUALZBK-UHFFFAOYSA-N -1 1 321.322 0.022 20 0 DCADMM CC(C)N1C(=O)C(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001589709663 1166674943 /nfs/dbraw/zinc/67/49/43/1166674943.db2.gz SPGMKDXPUALZBK-UHFFFAOYSA-N -1 1 321.322 0.022 20 0 DCADMM CC(C)S(=O)(=O)CCCOc1cccnc1-c1nnn[n-]1 ZINC001589759548 1166682859 /nfs/dbraw/zinc/68/28/59/1166682859.db2.gz YPXQWCJVTOCTOR-UHFFFAOYSA-N -1 1 311.367 0.854 20 0 DCADMM CC(C)S(=O)(=O)CCCOc1cccnc1-c1nn[n-]n1 ZINC001589759548 1166682864 /nfs/dbraw/zinc/68/28/64/1166682864.db2.gz YPXQWCJVTOCTOR-UHFFFAOYSA-N -1 1 311.367 0.854 20 0 DCADMM CC(C)c1nnc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)o1 ZINC001589778187 1166684760 /nfs/dbraw/zinc/68/47/60/1166684760.db2.gz AMBZXEIRQOZHCJ-UHFFFAOYSA-N -1 1 318.345 0.723 20 0 DCADMM CC(C)c1nnc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)o1 ZINC001589778187 1166684766 /nfs/dbraw/zinc/68/47/66/1166684766.db2.gz AMBZXEIRQOZHCJ-UHFFFAOYSA-N -1 1 318.345 0.723 20 0 DCADMM CC(C)[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(N)=O ZINC001589765943 1166685105 /nfs/dbraw/zinc/68/51/05/1166685105.db2.gz QOZMSSYDBWUETJ-BYPYZUCNSA-N -1 1 301.763 0.898 20 0 DCADMM C[C@@H](C1CC1)N(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC001589787558 1166687975 /nfs/dbraw/zinc/68/79/75/1166687975.db2.gz UJGAIVRVSACBAM-QMMMGPOBSA-N -1 1 302.342 0.248 20 0 DCADMM C[C@H](CC[S@@](C)=O)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589834866 1166694533 /nfs/dbraw/zinc/69/45/33/1166694533.db2.gz NCELYUUOBMKPOE-CWMRNNLJSA-N -1 1 323.382 0.540 20 0 DCADMM C[C@H](CC[S@@](C)=O)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589834866 1166694539 /nfs/dbraw/zinc/69/45/39/1166694539.db2.gz NCELYUUOBMKPOE-CWMRNNLJSA-N -1 1 323.382 0.540 20 0 DCADMM C[C@H](CN1CCOCC1)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589848258 1166696966 /nfs/dbraw/zinc/69/69/66/1166696966.db2.gz PSACZNGBXIHESW-SECBINFHSA-N -1 1 322.394 0.379 20 0 DCADMM C[C@@H](CCO)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589835679 1166697261 /nfs/dbraw/zinc/69/72/61/1166697261.db2.gz YOKJMOKHELVNJV-ZETCQYMHSA-N -1 1 317.396 0.320 20 0 DCADMM C[C@@H](CCO)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589835679 1166697266 /nfs/dbraw/zinc/69/72/66/1166697266.db2.gz YOKJMOKHELVNJV-ZETCQYMHSA-N -1 1 317.396 0.320 20 0 DCADMM C[C@@H](CO)[C@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589886469 1166708338 /nfs/dbraw/zinc/70/83/38/1166708338.db2.gz HDHRGFUVXIMVDN-GXFFZTMASA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](CO)[C@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589886469 1166708344 /nfs/dbraw/zinc/70/83/44/1166708344.db2.gz HDHRGFUVXIMVDN-GXFFZTMASA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H](Cc1cnn(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589905566 1166714592 /nfs/dbraw/zinc/71/45/92/1166714592.db2.gz XLIAITSJIVCRSR-MRVPVSSYSA-N -1 1 301.310 0.554 20 0 DCADMM C[C@H](Cc1cnn(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589905566 1166714596 /nfs/dbraw/zinc/71/45/96/1166714596.db2.gz XLIAITSJIVCRSR-MRVPVSSYSA-N -1 1 301.310 0.554 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nccc(N)n1 ZINC001589944751 1166726438 /nfs/dbraw/zinc/72/64/38/1166726438.db2.gz TZNVIPUMBBPZQW-SSDOTTSWSA-N -1 1 311.309 0.125 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nccc(N)n1 ZINC001589944751 1166726443 /nfs/dbraw/zinc/72/64/43/1166726443.db2.gz TZNVIPUMBBPZQW-SSDOTTSWSA-N -1 1 311.309 0.125 20 0 DCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1(S(C)(=O)=O)CC1 ZINC001589986832 1166738369 /nfs/dbraw/zinc/73/83/69/1166738369.db2.gz UVSDRELYCCCZKX-SSDOTTSWSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1(S(C)(=O)=O)CC1 ZINC001589986832 1166738374 /nfs/dbraw/zinc/73/83/74/1166738374.db2.gz UVSDRELYCCCZKX-SSDOTTSWSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001589994740 1166739710 /nfs/dbraw/zinc/73/97/10/1166739710.db2.gz IKZVEGRXXGETOB-NXEZZACHSA-N -1 1 317.353 0.886 20 0 DCADMM C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001589994740 1166739717 /nfs/dbraw/zinc/73/97/17/1166739717.db2.gz IKZVEGRXXGETOB-NXEZZACHSA-N -1 1 317.353 0.886 20 0 DCADMM C[C@H](O)C[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589994925 1166740306 /nfs/dbraw/zinc/74/03/06/1166740306.db2.gz BPVBHNNCFSVOPR-DTWKUNHWSA-N -1 1 307.310 0.072 20 0 DCADMM C[C@H](O)C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589994925 1166740316 /nfs/dbraw/zinc/74/03/16/1166740316.db2.gz BPVBHNNCFSVOPR-DTWKUNHWSA-N -1 1 307.310 0.072 20 0 DCADMM C[C@@H](O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001589994528 1166741624 /nfs/dbraw/zinc/74/16/24/1166741624.db2.gz HCVGYAFHIKTSIP-PSASIEDQSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H](O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001589994528 1166741630 /nfs/dbraw/zinc/74/16/30/1166741630.db2.gz HCVGYAFHIKTSIP-PSASIEDQSA-N -1 1 301.354 0.741 20 0 DCADMM CC1(C(=O)NCC=CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590067112 1166762626 /nfs/dbraw/zinc/76/26/26/1166762626.db2.gz WCBMPVZIWGNMQY-NSCUHMNNSA-N -1 1 314.353 0.541 20 0 DCADMM CC1(C(=O)NCC=CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590067112 1166762627 /nfs/dbraw/zinc/76/26/27/1166762627.db2.gz WCBMPVZIWGNMQY-NSCUHMNNSA-N -1 1 314.353 0.541 20 0 DCADMM C[C@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCNC1=O ZINC001590071321 1166764094 /nfs/dbraw/zinc/76/40/94/1166764094.db2.gz XLVZIMQTDAPOQK-ZDUSSCGKSA-N -1 1 302.294 0.037 20 0 DCADMM CC1(C)CCC(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590086137 1166771587 /nfs/dbraw/zinc/77/15/87/1166771587.db2.gz ILTHVZSVKBJADG-UHFFFAOYSA-N -1 1 318.385 0.791 20 0 DCADMM CC1(C)CO[C@@H](CNC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590110637 1166776222 /nfs/dbraw/zinc/77/62/22/1166776222.db2.gz CPVVYTIUYKDBQZ-SNVBAGLBSA-N -1 1 302.338 0.807 20 0 DCADMM CC1(C)CO[C@@H](CNC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590110637 1166776228 /nfs/dbraw/zinc/77/62/28/1166776228.db2.gz CPVVYTIUYKDBQZ-SNVBAGLBSA-N -1 1 302.338 0.807 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C2=C(C)OCCS2)nn1C ZINC001590156873 1166792653 /nfs/dbraw/zinc/79/26/53/1166792653.db2.gz HLLFMIZCRFYJBO-UHFFFAOYSA-N -1 1 321.366 0.842 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C2=C(C)OCCS2)nn1C ZINC001590156873 1166792659 /nfs/dbraw/zinc/79/26/59/1166792659.db2.gz HLLFMIZCRFYJBO-UHFFFAOYSA-N -1 1 321.366 0.842 20 0 DCADMM C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590166559 1166796258 /nfs/dbraw/zinc/79/62/58/1166796258.db2.gz DEUAJHBMTFYYLH-KOLCDFICSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590166559 1166796261 /nfs/dbraw/zinc/79/62/61/1166796261.db2.gz DEUAJHBMTFYYLH-KOLCDFICSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001590193647 1166806277 /nfs/dbraw/zinc/80/62/77/1166806277.db2.gz MTORMZZJPWECRV-NXEZZACHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001590193647 1166806281 /nfs/dbraw/zinc/80/62/81/1166806281.db2.gz MTORMZZJPWECRV-NXEZZACHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CO1 ZINC001590199482 1166810222 /nfs/dbraw/zinc/81/02/22/1166810222.db2.gz KZRJVYHADCAFTG-RNFRBKRXSA-N -1 1 309.355 0.300 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CO1 ZINC001590199482 1166810230 /nfs/dbraw/zinc/81/02/30/1166810230.db2.gz KZRJVYHADCAFTG-RNFRBKRXSA-N -1 1 309.355 0.300 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590214819 1166816191 /nfs/dbraw/zinc/81/61/91/1166816191.db2.gz DEXLCROILVEIEC-DOLQZWNJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590214819 1166816198 /nfs/dbraw/zinc/81/61/98/1166816198.db2.gz DEXLCROILVEIEC-DOLQZWNJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C[C@@H]1CO ZINC001590268371 1166832985 /nfs/dbraw/zinc/83/29/85/1166832985.db2.gz WVRXXXHVBGQYGH-VHSXEESVSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C[C@@H]1CO ZINC001590268371 1166832989 /nfs/dbraw/zinc/83/29/89/1166832989.db2.gz WVRXXXHVBGQYGH-VHSXEESVSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1n1ccnc1 ZINC001590274758 1166834213 /nfs/dbraw/zinc/83/42/13/1166834213.db2.gz PMGMEQWKSHJZGZ-MNOVXSKESA-N -1 1 311.353 0.941 20 0 DCADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@@H]1CO ZINC001590277324 1166837566 /nfs/dbraw/zinc/83/75/66/1166837566.db2.gz VJKGBGMMFRCRPT-GXSJLCMTSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@@H]1CO ZINC001590277324 1166837570 /nfs/dbraw/zinc/83/75/70/1166837570.db2.gz VJKGBGMMFRCRPT-GXSJLCMTSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@H]1CO ZINC001590277326 1166838185 /nfs/dbraw/zinc/83/81/85/1166838185.db2.gz VJKGBGMMFRCRPT-KOLCDFICSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@H]1CO ZINC001590277326 1166838188 /nfs/dbraw/zinc/83/81/88/1166838188.db2.gz VJKGBGMMFRCRPT-KOLCDFICSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@]1(C)CO ZINC001590293115 1166842038 /nfs/dbraw/zinc/84/20/38/1166842038.db2.gz UCBVNJFMCVTUMX-MEBBXXQBSA-N -1 1 316.365 0.281 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@]1(C)CO ZINC001590293115 1166842046 /nfs/dbraw/zinc/84/20/46/1166842046.db2.gz UCBVNJFMCVTUMX-MEBBXXQBSA-N -1 1 316.365 0.281 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@]1(C)CO ZINC001590297040 1166842120 /nfs/dbraw/zinc/84/21/20/1166842120.db2.gz AKZVFKYXBMANMY-YMTOWFKASA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@]1(C)CO ZINC001590297040 1166842128 /nfs/dbraw/zinc/84/21/28/1166842128.db2.gz AKZVFKYXBMANMY-YMTOWFKASA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CC[S@@](=O)C1 ZINC001590309201 1166855739 /nfs/dbraw/zinc/85/57/39/1166855739.db2.gz WRJLIRHPAASQOI-LADRHHBVSA-N -1 1 306.395 0.462 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@]2(CCOC2)O1 ZINC001590312740 1166857699 /nfs/dbraw/zinc/85/76/99/1166857699.db2.gz QMWMOCFKNPMTSP-NOZJJQNGSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@]2(CCOC2)O1 ZINC001590312740 1166857702 /nfs/dbraw/zinc/85/77/02/1166857702.db2.gz QMWMOCFKNPMTSP-NOZJJQNGSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H](CO)O1 ZINC001590316428 1166861142 /nfs/dbraw/zinc/86/11/42/1166861142.db2.gz MIQNXIXVGJGUAL-WDSKDSINSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H](CO)O1 ZINC001590316428 1166861154 /nfs/dbraw/zinc/86/11/54/1166861154.db2.gz MIQNXIXVGJGUAL-WDSKDSINSA-N -1 1 316.774 0.563 20 0 DCADMM C/C=C(\C)C(=O)NCCN(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001590350095 1166878687 /nfs/dbraw/zinc/87/86/87/1166878687.db2.gz OAZJTJNYFPLKNR-ONNFQVAWSA-N -1 1 316.369 0.565 20 0 DCADMM CCC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590361434 1166883588 /nfs/dbraw/zinc/88/35/88/1166883588.db2.gz DGKDBCRKRMYQGN-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM CCC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590361434 1166883596 /nfs/dbraw/zinc/88/35/96/1166883596.db2.gz DGKDBCRKRMYQGN-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001590359870 1166883999 /nfs/dbraw/zinc/88/39/99/1166883999.db2.gz LVJLFPFBROTKGZ-AOOOYVTPSA-N -1 1 314.353 0.246 20 0 DCADMM CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001590359870 1166884003 /nfs/dbraw/zinc/88/40/03/1166884003.db2.gz LVJLFPFBROTKGZ-AOOOYVTPSA-N -1 1 314.353 0.246 20 0 DCADMM CCC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001590360130 1166885118 /nfs/dbraw/zinc/88/51/18/1166885118.db2.gz RJITYMLYTKJZRG-UWVGGRQHSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001590360130 1166885121 /nfs/dbraw/zinc/88/51/21/1166885121.db2.gz RJITYMLYTKJZRG-UWVGGRQHSA-N -1 1 316.369 0.776 20 0 DCADMM CC/C(C)=C/C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590386197 1166893946 /nfs/dbraw/zinc/89/39/46/1166893946.db2.gz XQTNLGXIVYVNGT-CMDGGOBGSA-N -1 1 318.385 0.919 20 0 DCADMM CC/C(C)=C/C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590386197 1166893954 /nfs/dbraw/zinc/89/39/54/1166893954.db2.gz XQTNLGXIVYVNGT-CMDGGOBGSA-N -1 1 318.385 0.919 20 0 DCADMM CC[C@@H](C)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590394981 1166898272 /nfs/dbraw/zinc/89/82/72/1166898272.db2.gz JSFYNPWATSFLIA-UMCURTJPSA-N -1 1 316.369 0.787 20 0 DCADMM CC[C@@H](C)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590394981 1166898278 /nfs/dbraw/zinc/89/82/78/1166898278.db2.gz JSFYNPWATSFLIA-UMCURTJPSA-N -1 1 316.369 0.787 20 0 DCADMM CC[C@H](C)[C@@](C)(O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590395594 1166898392 /nfs/dbraw/zinc/89/83/92/1166898392.db2.gz BJULDDILOQMVDS-BONVTDFDSA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@H](C)[C@@](C)(O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590395594 1166898396 /nfs/dbraw/zinc/89/83/96/1166898396.db2.gz BJULDDILOQMVDS-BONVTDFDSA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@@H](CSC)N(C)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590446587 1166907476 /nfs/dbraw/zinc/90/74/76/1166907476.db2.gz DGGWPTCNZOEEDS-IUCAKERBSA-N -1 1 324.414 0.619 20 0 DCADMM CC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001590449525 1166909439 /nfs/dbraw/zinc/90/94/39/1166909439.db2.gz RLXKCUMEJJOPSS-ZCFIWIBFSA-N -1 1 324.366 0.190 20 0 DCADMM CC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@H](O)C(C)C ZINC001590454444 1166909777 /nfs/dbraw/zinc/90/97/77/1166909777.db2.gz LKXJAGOFCWEGJG-SMDDNHRTSA-N -1 1 318.381 0.716 20 0 DCADMM CC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@H](O)C(C)C ZINC001590454444 1166909782 /nfs/dbraw/zinc/90/97/82/1166909782.db2.gz LKXJAGOFCWEGJG-SMDDNHRTSA-N -1 1 318.381 0.716 20 0 DCADMM CC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001590449523 1166910371 /nfs/dbraw/zinc/91/03/71/1166910371.db2.gz RLXKCUMEJJOPSS-LURJTMIESA-N -1 1 324.366 0.190 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001590453573 1166910506 /nfs/dbraw/zinc/91/05/06/1166910506.db2.gz MUHIQECSVZMHBR-SFYZADRCSA-N -1 1 308.321 0.321 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001590453573 1166910513 /nfs/dbraw/zinc/91/05/13/1166910513.db2.gz MUHIQECSVZMHBR-SFYZADRCSA-N -1 1 308.321 0.321 20 0 DCADMM CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@H](O)C(C)C ZINC001590460220 1166915829 /nfs/dbraw/zinc/91/58/29/1166915829.db2.gz ZJXCUPVOHPPSFZ-JOYOIKCWSA-N -1 1 304.354 0.787 20 0 DCADMM CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@H](O)C(C)C ZINC001590460220 1166915837 /nfs/dbraw/zinc/91/58/37/1166915837.db2.gz ZJXCUPVOHPPSFZ-JOYOIKCWSA-N -1 1 304.354 0.787 20 0 DCADMM CC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001590472599 1166918278 /nfs/dbraw/zinc/91/82/78/1166918278.db2.gz UTPYZTWGRKTWSL-YUMQZZPRSA-N -1 1 321.341 0.036 20 0 DCADMM CC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1c(C)nn(C)c1C ZINC001590472779 1166918289 /nfs/dbraw/zinc/91/82/89/1166918289.db2.gz HJFNNMCBHZUUFI-JTQLQIEISA-N -1 1 313.369 0.992 20 0 DCADMM CC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)[C@@H]1CC1(C)C ZINC001590472030 1166918568 /nfs/dbraw/zinc/91/85/68/1166918568.db2.gz QILXMDSAEJYPKO-JGVFFNPUSA-N -1 1 319.369 0.903 20 0 DCADMM CC[C@H](SC)C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590481813 1166922603 /nfs/dbraw/zinc/92/26/03/1166922603.db2.gz APIIZYYNWLEBGM-VIFPVBQESA-N -1 1 322.398 0.326 20 0 DCADMM CC[C@H](SC)C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590481813 1166922607 /nfs/dbraw/zinc/92/26/07/1166922607.db2.gz APIIZYYNWLEBGM-VIFPVBQESA-N -1 1 322.398 0.326 20 0 DCADMM CC[C@H]1CCCC[C@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590510027 1166927517 /nfs/dbraw/zinc/92/75/17/1166927517.db2.gz DYZVROSIGMPMMN-QWRGUYRKSA-N -1 1 318.385 0.791 20 0 DCADMM CC[C@@H]1CC[C@H](C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)O1 ZINC001590505060 1166929230 /nfs/dbraw/zinc/92/92/30/1166929230.db2.gz PFJDYJHDMYIPNH-RKDXNWHRSA-N -1 1 305.342 0.805 20 0 DCADMM CC[C@@H]1CC[C@H](C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)O1 ZINC001590505060 1166929235 /nfs/dbraw/zinc/92/92/35/1166929235.db2.gz PFJDYJHDMYIPNH-RKDXNWHRSA-N -1 1 305.342 0.805 20 0 DCADMM CC[C@@H]1CCCCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590512541 1166929902 /nfs/dbraw/zinc/92/99/02/1166929902.db2.gz UUOGZWWGMLRVDP-SNVBAGLBSA-N -1 1 319.373 0.432 20 0 DCADMM CC[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001590519240 1166931909 /nfs/dbraw/zinc/93/19/09/1166931909.db2.gz YGOQRTTUTYWNFN-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM CC[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001590519240 1166931914 /nfs/dbraw/zinc/93/19/14/1166931914.db2.gz YGOQRTTUTYWNFN-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM CC[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@H](CC)CO1 ZINC001590524252 1166932938 /nfs/dbraw/zinc/93/29/38/1166932938.db2.gz RAOBQQJIUIWLGP-VXGBXAGGSA-N -1 1 318.381 0.875 20 0 DCADMM CC[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CCCO1 ZINC001590521044 1166934983 /nfs/dbraw/zinc/93/49/83/1166934983.db2.gz NFVBGKPWWDORRO-JTQLQIEISA-N -1 1 302.338 0.903 20 0 DCADMM CC[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CCCO1 ZINC001590521044 1166934985 /nfs/dbraw/zinc/93/49/85/1166934985.db2.gz NFVBGKPWWDORRO-JTQLQIEISA-N -1 1 302.338 0.903 20 0 DCADMM CC/C=C(\C)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590535872 1166937152 /nfs/dbraw/zinc/93/71/52/1166937152.db2.gz RRYMKROFTPCEPE-BJMVGYQFSA-N -1 1 316.369 0.565 20 0 DCADMM CCC[C@H](C)[C@H](CO)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590546929 1166939236 /nfs/dbraw/zinc/93/92/36/1166939236.db2.gz AXNVZAGRCVJEMZ-CABZTGNLSA-N -1 1 304.354 0.789 20 0 DCADMM CCC[C@H](C)[C@H](CO)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590546929 1166939239 /nfs/dbraw/zinc/93/92/39/1166939239.db2.gz AXNVZAGRCVJEMZ-CABZTGNLSA-N -1 1 304.354 0.789 20 0 DCADMM CCC[C@](C)(CO)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001590542568 1166940586 /nfs/dbraw/zinc/94/05/86/1166940586.db2.gz ABXLACNBSXPJRF-CQSZACIVSA-N -1 1 320.353 0.557 20 0 DCADMM CCC[C@@H](CCO)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590555972 1166941659 /nfs/dbraw/zinc/94/16/59/1166941659.db2.gz IMHUARJPHIIQJT-VIFPVBQESA-N -1 1 305.342 0.934 20 0 DCADMM CCC[C@@H](CCO)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590555972 1166941663 /nfs/dbraw/zinc/94/16/63/1166941663.db2.gz IMHUARJPHIIQJT-VIFPVBQESA-N -1 1 305.342 0.934 20 0 DCADMM CCC[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)OCC ZINC001590557951 1166942418 /nfs/dbraw/zinc/94/24/18/1166942418.db2.gz VMAUAAPQSZHXSQ-MRVPVSSYSA-N -1 1 323.357 0.283 20 0 DCADMM CCC[C@H](C)S(=O)(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590552958 1166942743 /nfs/dbraw/zinc/94/27/43/1166942743.db2.gz JFIYMDYRXNGXBZ-ZETCQYMHSA-N -1 1 316.412 0.931 20 0 DCADMM CCC[C@H](C)S(=O)(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590552958 1166942746 /nfs/dbraw/zinc/94/27/46/1166942746.db2.gz JFIYMDYRXNGXBZ-ZETCQYMHSA-N -1 1 316.412 0.931 20 0 DCADMM CCCCCCC(=O)NCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590590115 1166945974 /nfs/dbraw/zinc/94/59/74/1166945974.db2.gz OBNGMOKYRCQKBJ-UHFFFAOYSA-N -1 1 318.385 0.577 20 0 DCADMM CCCCC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590570683 1166946506 /nfs/dbraw/zinc/94/65/06/1166946506.db2.gz OCDZNYCZVITGEE-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCCCC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590570683 1166946512 /nfs/dbraw/zinc/94/65/12/1166946512.db2.gz OCDZNYCZVITGEE-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCC/C=C\[C@@H](O)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590570038 1166947288 /nfs/dbraw/zinc/94/72/88/1166947288.db2.gz IUBIDYYLSCRGRO-ISALQUGTSA-N -1 1 318.337 0.926 20 0 DCADMM CCCN1C[C@@H](C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)CC1=O ZINC001590633124 1166954330 /nfs/dbraw/zinc/95/43/30/1166954330.db2.gz YWTYZSWAWMWOPS-QMMMGPOBSA-N -1 1 318.341 0.095 20 0 DCADMM CCCN1C[C@H](C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)CC1=O ZINC001590633123 1166954469 /nfs/dbraw/zinc/95/44/69/1166954469.db2.gz YWTYZSWAWMWOPS-MRVPVSSYSA-N -1 1 318.341 0.095 20 0 DCADMM CCCNC(=O)CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590637323 1166958638 /nfs/dbraw/zinc/95/86/38/1166958638.db2.gz WACXPVOZNCQVTD-UHFFFAOYSA-N -1 1 318.341 0.300 20 0 DCADMM CCCNC(=O)CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590637323 1166958645 /nfs/dbraw/zinc/95/86/45/1166958645.db2.gz WACXPVOZNCQVTD-UHFFFAOYSA-N -1 1 318.341 0.300 20 0 DCADMM CCCn1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001590663829 1166963062 /nfs/dbraw/zinc/96/30/62/1166963062.db2.gz VDZWIFMLEHEAGV-UHFFFAOYSA-N -1 1 319.354 0.255 20 0 DCADMM CCCn1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001590663829 1166963067 /nfs/dbraw/zinc/96/30/67/1166963067.db2.gz VDZWIFMLEHEAGV-UHFFFAOYSA-N -1 1 319.354 0.255 20 0 DCADMM CCN(C)C(=O)[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001590676902 1166964380 /nfs/dbraw/zinc/96/43/80/1166964380.db2.gz QPLGZRWMFVVHDS-NSHDSACASA-N -1 1 318.385 0.880 20 0 DCADMM CCN(C)C(=O)[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001590676902 1166964388 /nfs/dbraw/zinc/96/43/88/1166964388.db2.gz QPLGZRWMFVVHDS-NSHDSACASA-N -1 1 318.385 0.880 20 0 DCADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCNC1=O ZINC001590674188 1166965041 /nfs/dbraw/zinc/96/50/41/1166965041.db2.gz WITHPPHNBZEAJW-ZETCQYMHSA-N -1 1 306.351 0.279 20 0 DCADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCNC1=O ZINC001590674188 1166965047 /nfs/dbraw/zinc/96/50/47/1166965047.db2.gz WITHPPHNBZEAJW-ZETCQYMHSA-N -1 1 306.351 0.279 20 0 DCADMM CCN(CC(C)(C)C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590682605 1166972329 /nfs/dbraw/zinc/97/23/29/1166972329.db2.gz NEEXRDPWKMOQJG-UHFFFAOYSA-N -1 1 321.385 0.137 20 0 DCADMM CCN(CCC(=O)OC)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590691869 1166977019 /nfs/dbraw/zinc/97/70/19/1166977019.db2.gz 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CCOC(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001590767809 1167013028 /nfs/dbraw/zinc/01/30/28/1167013028.db2.gz UDJHYAWHLDUKLK-SECBINFHSA-N -1 1 318.341 0.608 20 0 DCADMM CCOC(COCCNc1cc(-c2nnn[n-]2)ncn1)OCC ZINC001590785707 1167018107 /nfs/dbraw/zinc/01/81/07/1167018107.db2.gz USSZKXZRKNVBPH-UHFFFAOYSA-N -1 1 323.357 0.484 20 0 DCADMM CCOC(COCCNc1cc(-c2nn[n-]n2)ncn1)OCC ZINC001590785707 1167018112 /nfs/dbraw/zinc/01/81/12/1167018112.db2.gz USSZKXZRKNVBPH-UHFFFAOYSA-N -1 1 323.357 0.484 20 0 DCADMM CCOCCONC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590815420 1167029625 /nfs/dbraw/zinc/02/96/25/1167029625.db2.gz QOBILNYJPTYJQM-UHFFFAOYSA-N -1 1 313.264 0.843 20 0 DCADMM CCOCCONC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590815420 1167029630 /nfs/dbraw/zinc/02/96/30/1167029630.db2.gz QOBILNYJPTYJQM-UHFFFAOYSA-N -1 1 313.264 0.843 20 0 DCADMM CCSCCn1c(=O)c(-c2nn[n-]n2)c(C)n(C2CC2)c1=O ZINC001590853731 1167038445 /nfs/dbraw/zinc/03/84/45/1167038445.db2.gz XLTKJWAQRAGTFJ-UHFFFAOYSA-N -1 1 322.394 0.587 20 0 DCADMM CC[S@@](=O)CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590850851 1167039543 /nfs/dbraw/zinc/03/95/43/1167039543.db2.gz CTYOXUSOSAPZJZ-OAQYLSRUSA-N -1 1 309.355 0.152 20 0 DCADMM CC[S@@](=O)CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590850851 1167039547 /nfs/dbraw/zinc/03/95/47/1167039547.db2.gz CTYOXUSOSAPZJZ-OAQYLSRUSA-N -1 1 309.355 0.152 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C(=O)N(C)C)C2)n1 ZINC001590905943 1167045580 /nfs/dbraw/zinc/04/55/80/1167045580.db2.gz SFWVPVVLIAOHKH-SECBINFHSA-N -1 1 316.369 0.134 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C(=O)N(C)C)C2)n1 ZINC001590905943 1167045582 /nfs/dbraw/zinc/04/55/82/1167045582.db2.gz SFWVPVVLIAOHKH-SECBINFHSA-N -1 1 316.369 0.134 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](c3nnc[nH]3)C2)n1 ZINC001590906558 1167046385 /nfs/dbraw/zinc/04/63/85/1167046385.db2.gz PTNZRUASCBWDIN-QMMMGPOBSA-N -1 1 312.341 0.331 20 0 DCADMM CCc1nc(N[C@@H](C)C(=O)NC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001590914907 1167049634 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CCc1nc(NCCOC[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001590922697 1167051964 /nfs/dbraw/zinc/05/19/64/1167051964.db2.gz VWBUZRRWJJMZDS-JTQLQIEISA-N -1 1 319.369 0.827 20 0 DCADMM CCc1nc(NCCOC[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001590922697 1167051968 /nfs/dbraw/zinc/05/19/68/1167051968.db2.gz VWBUZRRWJJMZDS-JTQLQIEISA-N -1 1 319.369 0.827 20 0 DCADMM CCc1nc(NC[C@@H]2CCS(=O)(=O)C2)cc(-c2nnn[n-]2)n1 ZINC001590918474 1167052447 /nfs/dbraw/zinc/05/24/47/1167052447.db2.gz DAVSJDVCRVWYQY-QMMMGPOBSA-N -1 1 323.382 0.066 20 0 DCADMM CCc1nc(NC[C@@H]2CCS(=O)(=O)C2)cc(-c2nn[n-]n2)n1 ZINC001590918474 1167052450 /nfs/dbraw/zinc/05/24/50/1167052450.db2.gz DAVSJDVCRVWYQY-QMMMGPOBSA-N -1 1 323.382 0.066 20 0 DCADMM CCc1nn(Cc2nocc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929783 1167053001 /nfs/dbraw/zinc/05/30/01/1167053001.db2.gz VBHGFVXPMDCOLS-UHFFFAOYSA-N -1 1 315.337 0.893 20 0 DCADMM CCc1nn(Cc2csnn2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929532 1167053268 /nfs/dbraw/zinc/05/32/68/1167053268.db2.gz 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/nfs/dbraw/zinc/06/87/17/1167068717.db2.gz DKECTSGNNNSGJL-UHFFFAOYSA-N -1 1 309.351 0.443 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)C1CCS(=O)CC1 ZINC001590991955 1167068721 /nfs/dbraw/zinc/06/87/21/1167068721.db2.gz DKECTSGNNNSGJL-UHFFFAOYSA-N -1 1 309.351 0.443 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)o1)C1(C(N)=O)CCCC1 ZINC001590992224 1167069713 /nfs/dbraw/zinc/06/97/13/1167069713.db2.gz IFEULYYREKGJTA-UHFFFAOYSA-N -1 1 304.310 0.330 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)C1(C(N)=O)CCCC1 ZINC001590992224 1167069717 /nfs/dbraw/zinc/06/97/17/1167069717.db2.gz IFEULYYREKGJTA-UHFFFAOYSA-N -1 1 304.310 0.330 20 0 DCADMM CN(C)C(=O)N(C)[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591003745 1167073972 /nfs/dbraw/zinc/07/39/72/1167073972.db2.gz WDKLLVPGDCIOOP-SNVBAGLBSA-N -1 1 316.369 0.454 20 0 DCADMM CN(C)C(=O)N(C)[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591003745 1167073979 /nfs/dbraw/zinc/07/39/79/1167073979.db2.gz WDKLLVPGDCIOOP-SNVBAGLBSA-N -1 1 316.369 0.454 20 0 DCADMM CN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591044085 1167091703 /nfs/dbraw/zinc/09/17/03/1167091703.db2.gz GPADWQSCQCJBSL-ZETCQYMHSA-N -1 1 321.284 0.923 20 0 DCADMM CN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591044085 1167091717 /nfs/dbraw/zinc/09/17/17/1167091717.db2.gz GPADWQSCQCJBSL-ZETCQYMHSA-N -1 1 321.284 0.923 20 0 DCADMM CN(C[C@H]1CCS(=O)(=O)C1)c1cccnc1-c1nnn[n-]1 ZINC001591063907 1167098617 /nfs/dbraw/zinc/09/86/17/1167098617.db2.gz DTRAOIMXOJCQJN-SECBINFHSA-N -1 1 308.367 0.133 20 0 DCADMM CN(C[C@H]1CCS(=O)(=O)C1)c1cccnc1-c1nn[n-]n1 ZINC001591063907 1167098622 /nfs/dbraw/zinc/09/86/22/1167098622.db2.gz DTRAOIMXOJCQJN-SECBINFHSA-N -1 1 308.367 0.133 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccco1 ZINC001591089838 1167104314 /nfs/dbraw/zinc/10/43/14/1167104314.db2.gz DGMVTIYTNATMSR-UHFFFAOYSA-N -1 1 316.325 0.470 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccco1 ZINC001591089838 1167104317 /nfs/dbraw/zinc/10/43/17/1167104317.db2.gz DGMVTIYTNATMSR-UHFFFAOYSA-N -1 1 316.325 0.470 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)C1CC=CC1 ZINC001591107157 1167106641 /nfs/dbraw/zinc/10/66/41/1167106641.db2.gz XFCHVMQQPNGHCQ-UHFFFAOYSA-N -1 1 314.353 0.493 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)C1CC=CC1 ZINC001591107157 1167106645 /nfs/dbraw/zinc/10/66/45/1167106645.db2.gz XFCHVMQQPNGHCQ-UHFFFAOYSA-N -1 1 314.353 0.493 20 0 DCADMM CNC(=O)[C@H]1CCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591204316 1167153676 /nfs/dbraw/zinc/15/36/76/1167153676.db2.gz VASCFTSPRMHIKY-SECBINFHSA-N -1 1 304.310 0.200 20 0 DCADMM CNC(=O)[C@H]1CCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591204316 1167153677 /nfs/dbraw/zinc/15/36/77/1167153677.db2.gz VASCFTSPRMHIKY-SECBINFHSA-N -1 1 304.310 0.200 20 0 DCADMM CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591214063 1167159827 /nfs/dbraw/zinc/15/98/27/1167159827.db2.gz RHVGJAFAZUIBMN-QMMMGPOBSA-N -1 1 306.326 0.350 20 0 DCADMM CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591214063 1167159832 /nfs/dbraw/zinc/15/98/32/1167159832.db2.gz RHVGJAFAZUIBMN-QMMMGPOBSA-N -1 1 306.326 0.350 20 0 DCADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)CC1CC1 ZINC001591232435 1167168927 /nfs/dbraw/zinc/16/89/27/1167168927.db2.gz NQAAKHHJJHFLNO-SECBINFHSA-N -1 1 319.321 0.779 20 0 DCADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)CC1CC1 ZINC001591232435 1167168930 /nfs/dbraw/zinc/16/89/30/1167168930.db2.gz NQAAKHHJJHFLNO-SECBINFHSA-N -1 1 319.321 0.779 20 0 DCADMM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001591250686 1167177083 /nfs/dbraw/zinc/17/70/83/1167177083.db2.gz SKYXDUHEQLBJAL-LNLATYFQSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001591250686 1167177086 /nfs/dbraw/zinc/17/70/86/1167177086.db2.gz SKYXDUHEQLBJAL-LNLATYFQSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001591250688 1167177163 /nfs/dbraw/zinc/17/71/63/1167177163.db2.gz SKYXDUHEQLBJAL-SBMIAAHKSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001591250688 1167177166 /nfs/dbraw/zinc/17/71/66/1167177166.db2.gz SKYXDUHEQLBJAL-SBMIAAHKSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)CCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001591262869 1167186111 /nfs/dbraw/zinc/18/61/11/1167186111.db2.gz IVDFFAHOWZHPCP-UHFFFAOYSA-N -1 1 317.353 0.826 20 0 DCADMM COC(=O)CCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001591262869 1167186115 /nfs/dbraw/zinc/18/61/15/1167186115.db2.gz IVDFFAHOWZHPCP-UHFFFAOYSA-N -1 1 317.353 0.826 20 0 DCADMM COC(=O)C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)C[C@H]1C ZINC001591269806 1167190902 /nfs/dbraw/zinc/19/09/02/1167190902.db2.gz AGRSJQMVPIZYMY-RKDXNWHRSA-N -1 1 303.326 0.292 20 0 DCADMM COC(=O)C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)C[C@H]1C ZINC001591269806 1167190907 /nfs/dbraw/zinc/19/09/07/1167190907.db2.gz AGRSJQMVPIZYMY-RKDXNWHRSA-N -1 1 303.326 0.292 20 0 DCADMM COC(=O)NCCC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001591275223 1167193700 /nfs/dbraw/zinc/19/37/00/1167193700.db2.gz RGBKNXWURRADLE-UHFFFAOYSA-N -1 1 311.323 0.718 20 0 DCADMM COC(=O)N[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001591275638 1167193949 /nfs/dbraw/zinc/19/39/49/1167193949.db2.gz QOFXXDOVGBRFMA-ZETCQYMHSA-N -1 1 323.744 0.850 20 0 DCADMM COC(=O)N[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001591275638 1167193955 /nfs/dbraw/zinc/19/39/55/1167193955.db2.gz QOFXXDOVGBRFMA-ZETCQYMHSA-N -1 1 323.744 0.850 20 0 DCADMM COC(=O)[C@@]1(C)CN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001591282007 1167198881 /nfs/dbraw/zinc/19/88/81/1167198881.db2.gz BNGXBAKZVGTORB-XPTSAGLGSA-N -1 1 302.338 0.897 20 0 DCADMM COC(=O)[C@@]1(C)CN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001591282007 1167198884 /nfs/dbraw/zinc/19/88/84/1167198884.db2.gz BNGXBAKZVGTORB-XPTSAGLGSA-N -1 1 302.338 0.897 20 0 DCADMM COC(=O)[C@H](CC(C)C)NCc1cccc(-c2nnn[n-]2)n1 ZINC001591284131 1167200330 /nfs/dbraw/zinc/20/03/30/1167200330.db2.gz ZWLMACDBBVJMLM-LBPRGKRZSA-N -1 1 304.354 0.939 20 0 DCADMM COC(=O)[C@H](CC(C)C)NCc1cccc(-c2nn[n-]n2)n1 ZINC001591284131 1167200336 /nfs/dbraw/zinc/20/03/36/1167200336.db2.gz ZWLMACDBBVJMLM-LBPRGKRZSA-N -1 1 304.354 0.939 20 0 DCADMM COC(=O)c1ccc(N(C)Cc2cn[nH]c2)c(-c2nnn[n-]2)n1 ZINC001591293478 1167203457 /nfs/dbraw/zinc/20/34/57/1167203457.db2.gz GGHSLAPERJXDGL-UHFFFAOYSA-N -1 1 314.309 0.408 20 0 DCADMM COC(=O)c1ccc(N(C)Cc2cn[nH]c2)c(-c2nn[n-]n2)n1 ZINC001591293478 1167203462 /nfs/dbraw/zinc/20/34/62/1167203462.db2.gz GGHSLAPERJXDGL-UHFFFAOYSA-N -1 1 314.309 0.408 20 0 DCADMM COC(=O)c1ccc(N[C@H](C)C[C@H](C)O)c(-c2nnn[n-]2)n1 ZINC001591295227 1167204502 /nfs/dbraw/zinc/20/45/02/1167204502.db2.gz CKZSQMKKCNTUKO-SFYZADRCSA-N -1 1 306.326 0.620 20 0 DCADMM COC(=O)c1ccc(N[C@H](C)C[C@H](C)O)c(-c2nn[n-]n2)n1 ZINC001591295227 1167204507 /nfs/dbraw/zinc/20/45/07/1167204507.db2.gz CKZSQMKKCNTUKO-SFYZADRCSA-N -1 1 306.326 0.620 20 0 DCADMM COC(=O)c1ccc(Cn2cncc(-c3nn[n-]n3)c2=O)cc1 ZINC001591292947 1167204666 /nfs/dbraw/zinc/20/46/66/1167204666.db2.gz INQZEDNTRHLTIP-UHFFFAOYSA-N -1 1 312.289 0.258 20 0 DCADMM CO[C@@](C)(CO)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001591319154 1167210363 /nfs/dbraw/zinc/21/03/63/1167210363.db2.gz WOMIEXSGMKKKHF-SECBINFHSA-N -1 1 304.763 0.786 20 0 DCADMM CO[C@@](C)(CO)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001591319154 1167210372 /nfs/dbraw/zinc/21/03/72/1167210372.db2.gz WOMIEXSGMKKKHF-SECBINFHSA-N -1 1 304.763 0.786 20 0 DCADMM CO[C@H]([C@@H](C)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001591326215 1167217399 /nfs/dbraw/zinc/21/73/99/1167217399.db2.gz KSEHFLNVKSRJRT-YMTOWFKASA-N -1 1 316.365 0.734 20 0 DCADMM CO[C@H]([C@@H](C)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001591326215 1167217403 /nfs/dbraw/zinc/21/74/03/1167217403.db2.gz KSEHFLNVKSRJRT-YMTOWFKASA-N -1 1 316.365 0.734 20 0 DCADMM CO[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)C(C)(C)C ZINC001591329517 1167217882 /nfs/dbraw/zinc/21/78/82/1167217882.db2.gz DOVNYJQKZNDNKO-SSDOTTSWSA-N -1 1 323.357 0.139 20 0 DCADMM CO[C@@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCSC1 ZINC001591337121 1167220313 /nfs/dbraw/zinc/22/03/13/1167220313.db2.gz KRRXEMSPDGXTQN-LBPRGKRZSA-N -1 1 306.351 0.722 20 0 DCADMM CO[C@@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCSC1 ZINC001591337121 1167220319 /nfs/dbraw/zinc/22/03/19/1167220319.db2.gz KRRXEMSPDGXTQN-LBPRGKRZSA-N -1 1 306.351 0.722 20 0 DCADMM CO[C@]1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCSC1 ZINC001591342085 1167222669 /nfs/dbraw/zinc/22/26/69/1167222669.db2.gz HPHIMMJEVZYMIG-ZDUSSCGKSA-N -1 1 320.378 0.514 20 0 DCADMM CO[C@]1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCSC1 ZINC001591342085 1167222673 /nfs/dbraw/zinc/22/26/73/1167222673.db2.gz HPHIMMJEVZYMIG-ZDUSSCGKSA-N -1 1 320.378 0.514 20 0 DCADMM CO[C@]1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCSC1 ZINC001591342084 1167223896 /nfs/dbraw/zinc/22/38/96/1167223896.db2.gz AENCKLDXPVZCDW-LBPRGKRZSA-N -1 1 307.383 0.899 20 0 DCADMM CO[C@]1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCSC1 ZINC001591342084 1167223903 /nfs/dbraw/zinc/22/39/03/1167223903.db2.gz AENCKLDXPVZCDW-LBPRGKRZSA-N -1 1 307.383 0.899 20 0 DCADMM CO[C@@]1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCSC1 ZINC001591342837 1167224478 /nfs/dbraw/zinc/22/44/78/1167224478.db2.gz RSTSIMOATYEGMZ-CYBMUJFWSA-N -1 1 320.378 0.514 20 0 DCADMM CO[C@@]1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCSC1 ZINC001591342837 1167224483 /nfs/dbraw/zinc/22/44/83/1167224483.db2.gz RSTSIMOATYEGMZ-CYBMUJFWSA-N -1 1 320.378 0.514 20 0 DCADMM CO[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591355216 1167230240 /nfs/dbraw/zinc/23/02/40/1167230240.db2.gz VPDOJDVQLJLPIF-QMMMGPOBSA-N -1 1 313.339 0.259 20 0 DCADMM CO[C@@H]1CC[C@H]2OCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C1 ZINC001591354538 1167230723 /nfs/dbraw/zinc/23/07/23/1167230723.db2.gz PUHILNPUVPKVMX-YUSALJHKSA-N -1 1 317.353 0.429 20 0 DCADMM CO[C@@H]1CC[C@H]2OCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001591354538 1167230730 /nfs/dbraw/zinc/23/07/30/1167230730.db2.gz PUHILNPUVPKVMX-YUSALJHKSA-N -1 1 317.353 0.429 20 0 DCADMM COCC1(CNc2ncncc2-c2nn[n-]n2)CCOCC1 ZINC001591388306 1167258529 /nfs/dbraw/zinc/25/85/29/1167258529.db2.gz BRNSNQDCSVCYTM-UHFFFAOYSA-N -1 1 305.342 0.512 20 0 DCADMM COCCC[C@H](C)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001591406814 1167271310 /nfs/dbraw/zinc/27/13/10/1167271310.db2.gz AKJWURWSPTUPIZ-QMMMGPOBSA-N -1 1 307.358 0.910 20 0 DCADMM COCCC[C@H](C)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001591406814 1167271315 /nfs/dbraw/zinc/27/13/15/1167271315.db2.gz AKJWURWSPTUPIZ-QMMMGPOBSA-N -1 1 307.358 0.910 20 0 DCADMM COCCN(CC(F)F)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001591423003 1167278734 /nfs/dbraw/zinc/27/87/34/1167278734.db2.gz VXUYMWNEOAIJER-UHFFFAOYSA-N -1 1 314.296 0.199 20 0 DCADMM COC[C@H]1C[C@@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001591453294 1167293968 /nfs/dbraw/zinc/29/39/68/1167293968.db2.gz PUJVKAYVBLRKQL-OCAPTIKFSA-N -1 1 323.382 0.547 20 0 DCADMM COC[C@H]1C[C@@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001591453294 1167293972 /nfs/dbraw/zinc/29/39/72/1167293972.db2.gz PUJVKAYVBLRKQL-OCAPTIKFSA-N -1 1 323.382 0.547 20 0 DCADMM CO[C@H]1C[C@@H](CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591473069 1167305038 /nfs/dbraw/zinc/30/50/38/1167305038.db2.gz SMXUEXQKBRMJTI-DTORHVGOSA-N -1 1 303.326 0.808 20 0 DCADMM CO[C@H]1C[C@@H](CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591473069 1167305046 /nfs/dbraw/zinc/30/50/46/1167305046.db2.gz SMXUEXQKBRMJTI-DTORHVGOSA-N -1 1 303.326 0.808 20 0 DCADMM COc1cc(OC)cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001591551758 1167327602 /nfs/dbraw/zinc/32/76/02/1167327602.db2.gz IZVYWJWENOIQRH-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM COc1ccc(C=O)cc1Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001591582443 1167334155 /nfs/dbraw/zinc/33/41/55/1167334155.db2.gz WJKCXJKHKMKTOD-UHFFFAOYSA-N -1 1 312.289 0.293 20 0 DCADMM COc1ccccc1[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591646541 1167341194 /nfs/dbraw/zinc/34/11/94/1167341194.db2.gz QHYZYDYWTHYFSI-CYBMUJFWSA-N -1 1 312.333 0.838 20 0 DCADMM COc1ccccc1[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591646541 1167341198 /nfs/dbraw/zinc/34/11/98/1167341198.db2.gz QHYZYDYWTHYFSI-CYBMUJFWSA-N -1 1 312.333 0.838 20 0 DCADMM CS(=O)(=O)c1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)o1 ZINC001591680685 1167351995 /nfs/dbraw/zinc/35/19/95/1167351995.db2.gz GSSKLNOFMDPMBB-UHFFFAOYSA-N -1 1 321.318 0.073 20 0 DCADMM CSC1(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC001591688188 1167353533 /nfs/dbraw/zinc/35/35/33/1167353533.db2.gz JCOWTPBYLZKETQ-UHFFFAOYSA-N -1 1 308.371 0.617 20 0 DCADMM CSC1(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC001591688188 1167353538 /nfs/dbraw/zinc/35/35/38/1167353538.db2.gz JCOWTPBYLZKETQ-UHFFFAOYSA-N -1 1 308.371 0.617 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1C ZINC001591727280 1167361887 /nfs/dbraw/zinc/36/18/87/1167361887.db2.gz BVDCZWVJPIXPDN-HRDYMLBCSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1C ZINC001591727280 1167361893 /nfs/dbraw/zinc/36/18/93/1167361893.db2.gz BVDCZWVJPIXPDN-HRDYMLBCSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H]1COCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591752424 1167367200 /nfs/dbraw/zinc/36/72/00/1167367200.db2.gz HVVPXLLPZSETQF-SSDOTTSWSA-N -1 1 309.355 0.254 20 0 DCADMM C[C@@H]1COCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591752424 1167367206 /nfs/dbraw/zinc/36/72/06/1167367206.db2.gz HVVPXLLPZSETQF-SSDOTTSWSA-N -1 1 309.355 0.254 20 0 DCADMM C[C@@]1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCC(=O)N1 ZINC001591758771 1167370148 /nfs/dbraw/zinc/37/01/48/1167370148.db2.gz HMUZVGFBKGTQHE-LBPRGKRZSA-N -1 1 306.351 0.213 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1C[C@@H]1C ZINC001591776305 1167374419 /nfs/dbraw/zinc/37/44/19/1167374419.db2.gz HAWGVQHXBDSDLD-YIZRAAEISA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1C[C@@H]1C ZINC001591776305 1167374425 /nfs/dbraw/zinc/37/44/25/1167374425.db2.gz HAWGVQHXBDSDLD-YIZRAAEISA-N -1 1 302.342 0.229 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(CC(C)C)no2)c1 ZINC001591836961 1167390779 /nfs/dbraw/zinc/39/07/79/1167390779.db2.gz PZSYSFPBUCGDAL-UHFFFAOYSA-N -1 1 315.337 0.967 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(c3nccnn3)CC2)c1 ZINC001591889087 1167410714 /nfs/dbraw/zinc/41/07/14/1167410714.db2.gz XLWXPEBAVNBRLD-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(c3nccnn3)CC2)c1 ZINC001591889087 1167410717 /nfs/dbraw/zinc/41/07/17/1167410717.db2.gz XLWXPEBAVNBRLD-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(c3ncccn3)CC2)c1 ZINC001591887615 1167411605 /nfs/dbraw/zinc/41/16/05/1167411605.db2.gz BVPXQJKBRXARPW-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(c3ncccn3)CC2)c1 ZINC001591887615 1167411608 /nfs/dbraw/zinc/41/16/08/1167411608.db2.gz BVPXQJKBRXARPW-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(CNC(=O)C3)CC2)n1 ZINC001591886759 1167411734 /nfs/dbraw/zinc/41/17/34/1167411734.db2.gz DEGKJHUAGAYNFP-UHFFFAOYSA-N -1 1 314.353 0.072 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(CNC(=O)C3)CC2)n1 ZINC001591886759 1167411737 /nfs/dbraw/zinc/41/17/37/1167411737.db2.gz DEGKJHUAGAYNFP-UHFFFAOYSA-N -1 1 314.353 0.072 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC001591891565 1167413784 /nfs/dbraw/zinc/41/37/84/1167413784.db2.gz LETFDEVRCNLGOG-AOOOYVTPSA-N -1 1 320.378 0.051 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC001591891565 1167413789 /nfs/dbraw/zinc/41/37/89/1167413789.db2.gz LETFDEVRCNLGOG-AOOOYVTPSA-N -1 1 320.378 0.051 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC(=O)NCc2ccco2)n1 ZINC001591893611 1167413999 /nfs/dbraw/zinc/41/39/99/1167413999.db2.gz KTWUWPWSBHTZLR-UHFFFAOYSA-N -1 1 314.309 0.286 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC(=O)NCc2ccco2)n1 ZINC001591893611 1167414004 /nfs/dbraw/zinc/41/40/04/1167414004.db2.gz KTWUWPWSBHTZLR-UHFFFAOYSA-N -1 1 314.309 0.286 20 0 DCADMM Cc1cc(NCC2CCS(=O)(=O)CC2)nc(-c2nnn[n-]2)c1 ZINC001592043996 1167443669 /nfs/dbraw/zinc/44/36/69/1167443669.db2.gz DLYAZASYEXMZAI-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1cc(NCC2CCS(=O)(=O)CC2)nc(-c2nn[n-]n2)c1 ZINC001592043996 1167443674 /nfs/dbraw/zinc/44/36/74/1167443674.db2.gz DLYAZASYEXMZAI-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(-c2noc([C@@H](C)n3cnc(-c4nn[n-]n4)n3)n2)cn1 ZINC001592112393 1167459209 /nfs/dbraw/zinc/45/92/09/1167459209.db2.gz INTFMSJZNWSTHC-MRVPVSSYSA-N -1 1 324.308 0.821 20 0 DCADMM Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1-c1nn[nH]n1 ZINC001592155988 1167462186 /nfs/dbraw/zinc/46/21/86/1167462186.db2.gz WDSDAWGAJIQHJP-LBPRGKRZSA-N -1 1 313.365 0.385 20 0 DCADMM Cc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC001592153602 1167463478 /nfs/dbraw/zinc/46/34/78/1167463478.db2.gz HJSYMLSYZJBMSY-WCQYABFASA-N -1 1 303.366 0.757 20 0 DCADMM Cc1ccc(NC(=O)COc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001592178984 1167471056 /nfs/dbraw/zinc/47/10/56/1167471056.db2.gz CMARTYBPXSYJPQ-UHFFFAOYSA-N -1 1 311.305 0.983 20 0 DCADMM Cc1ccc(SCc2nc(=O)n(C)[n-]2)c(-c2nn[nH]n2)c1 ZINC001592196276 1167476503 /nfs/dbraw/zinc/47/65/03/1167476503.db2.gz KXNPCPAGQPHCCX-UHFFFAOYSA-N -1 1 303.351 0.889 20 0 DCADMM Cc1cccc(C[C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001592230610 1167477136 /nfs/dbraw/zinc/47/71/36/1167477136.db2.gz YSVKXOZDNWJSOS-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1cccc(C[C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001592230610 1167477142 /nfs/dbraw/zinc/47/71/42/1167477142.db2.gz YSVKXOZDNWJSOS-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccccc1C[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001592255612 1167478976 /nfs/dbraw/zinc/47/89/76/1167478976.db2.gz BTEMMWAMWAYRBK-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccccc1C[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001592255612 1167478983 /nfs/dbraw/zinc/47/89/83/1167478983.db2.gz BTEMMWAMWAYRBK-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1nsc(NC(=O)c2nccc(C)n2)c1-c1nnn[n-]1 ZINC001592271627 1167482109 /nfs/dbraw/zinc/48/21/09/1167482109.db2.gz IBDXHEVTJFNTEG-UHFFFAOYSA-N -1 1 302.323 0.982 20 0 DCADMM Cc1nsc(NC(=O)c2nccc(C)n2)c1-c1nn[n-]n1 ZINC001592271627 1167482110 /nfs/dbraw/zinc/48/21/10/1167482110.db2.gz IBDXHEVTJFNTEG-UHFFFAOYSA-N -1 1 302.323 0.982 20 0 DCADMM Cc1ccnc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592272012 1167483146 /nfs/dbraw/zinc/48/31/46/1167483146.db2.gz YBGIZUBGLBYAJE-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1cnn(C)c1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592302393 1167487361 /nfs/dbraw/zinc/48/73/61/1167487361.db2.gz GHRQIQDWQNCKDJ-UHFFFAOYSA-N -1 1 313.325 0.761 20 0 DCADMM Cc1csc(=O)n1CCn1ccc(-c2nn[n-]n2)cc1=O ZINC001592312880 1167487681 /nfs/dbraw/zinc/48/76/81/1167487681.db2.gz XZCKUJUYRBCYGD-UHFFFAOYSA-N -1 1 304.335 0.260 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC001592328086 1167489851 /nfs/dbraw/zinc/48/98/51/1167489851.db2.gz PSJYRFBOMMVRAT-MUWHJKNJSA-N -1 1 303.326 0.842 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cc(C(F)F)ncn2)c1-c1nn[n-]n1 ZINC001592330038 1167491488 /nfs/dbraw/zinc/49/14/88/1167491488.db2.gz JQICVLRFNBCJJQ-UHFFFAOYSA-N -1 1 321.251 0.878 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)C3CC3)CC2)n1 ZINC001592341138 1167496098 /nfs/dbraw/zinc/49/60/98/1167496098.db2.gz MCCONJQHGOWVCH-UHFFFAOYSA-N -1 1 314.353 0.024 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)C3CC3)CC2)n1 ZINC001592341138 1167496099 /nfs/dbraw/zinc/49/60/99/1167496099.db2.gz MCCONJQHGOWVCH-UHFFFAOYSA-N -1 1 314.353 0.024 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2nncn2C)n1 ZINC001592353790 1167501112 /nfs/dbraw/zinc/50/11/12/1167501112.db2.gz UVCQPGCTYRPETA-UHFFFAOYSA-N -1 1 303.355 0.694 20 0 DCADMM Cc1nc(C(C)(C)NC(=O)c2cccc(-c3nnn[n-]3)n2)no1 ZINC001592352535 1167501204 /nfs/dbraw/zinc/50/12/04/1167501204.db2.gz FPHNYLMWCDRYMO-UHFFFAOYSA-N -1 1 314.309 0.618 20 0 DCADMM Cc1nc(C(C)(C)NC(=O)c2cccc(-c3nn[n-]n3)n2)no1 ZINC001592352535 1167501210 /nfs/dbraw/zinc/50/12/10/1167501210.db2.gz FPHNYLMWCDRYMO-UHFFFAOYSA-N -1 1 314.309 0.618 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2nnnn2C)n1 ZINC001592353799 1167501587 /nfs/dbraw/zinc/50/15/87/1167501587.db2.gz VLGYSDRQNZWUKA-UHFFFAOYSA-N -1 1 304.343 0.089 20 0 DCADMM Cc1nc(N[C@H]2CCN(C(C)(C)C)C2=O)cc(-c2nnn[n-]2)n1 ZINC001592383072 1167508911 /nfs/dbraw/zinc/50/89/11/1167508911.db2.gz OHEYSUSJVPNIKY-VIFPVBQESA-N -1 1 316.369 0.776 20 0 DCADMM Cc1nc(N[C@H]2CCN(C(C)(C)C)C2=O)cc(-c2nn[n-]n2)n1 ZINC001592383072 1167508912 /nfs/dbraw/zinc/50/89/12/1167508912.db2.gz OHEYSUSJVPNIKY-VIFPVBQESA-N -1 1 316.369 0.776 20 0 DCADMM Cc1nn(C)c(C)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592430630 1167520789 /nfs/dbraw/zinc/52/07/89/1167520789.db2.gz SJZJYDXRQYGURM-UHFFFAOYSA-N -1 1 324.322 0.578 20 0 DCADMM Cc1nn(C[C@H](O)c2ccccc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436556 1167522859 /nfs/dbraw/zinc/52/28/59/1167522859.db2.gz UIUQNXRRIVVKOO-LBPRGKRZSA-N -1 1 312.333 0.774 20 0 DCADMM Cc1nn(CN2CCCCC2=O)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437697 1167523258 /nfs/dbraw/zinc/52/32/58/1167523258.db2.gz ZVXLTDVNOVZZOR-UHFFFAOYSA-N -1 1 303.326 0.010 20 0 DCADMM Cc1nnc(CN(C)Cn2cccc(-c3nn[n-]n3)c2=O)s1 ZINC001592442355 1167524216 /nfs/dbraw/zinc/52/42/16/1167524216.db2.gz GAVFJKLANGXOJD-UHFFFAOYSA-N -1 1 318.366 0.278 20 0 DCADMM Cc1nsc(NC(=O)NC2CC(CCO)C2)c1-c1nnn[n-]1 ZINC001592481344 1167533992 /nfs/dbraw/zinc/53/39/92/1167533992.db2.gz MKXMOYJGNYTXJY-UHFFFAOYSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)NC2CC(CCO)C2)c1-c1nn[n-]n1 ZINC001592481344 1167533999 /nfs/dbraw/zinc/53/39/99/1167533999.db2.gz MKXMOYJGNYTXJY-UHFFFAOYSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](C)CCCO)c1-c1nnn[n-]1 ZINC001592480734 1167535717 /nfs/dbraw/zinc/53/57/17/1167535717.db2.gz SIHCHEUOMNXLKI-LURJTMIESA-N -1 1 311.371 0.914 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](C)CCCO)c1-c1nn[n-]n1 ZINC001592480734 1167535722 /nfs/dbraw/zinc/53/57/22/1167535722.db2.gz SIHCHEUOMNXLKI-LURJTMIESA-N -1 1 311.371 0.914 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1CCN(CCF)C1 ZINC001592500954 1167542036 /nfs/dbraw/zinc/54/20/36/1167542036.db2.gz FVWMJRBNJYXMRQ-SECBINFHSA-N -1 1 309.301 0.969 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1CCN(CCF)C1 ZINC001592500954 1167542042 /nfs/dbraw/zinc/54/20/42/1167542042.db2.gz FVWMJRBNJYXMRQ-SECBINFHSA-N -1 1 309.301 0.969 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CO[C@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC001592517263 1167546004 /nfs/dbraw/zinc/54/60/04/1167546004.db2.gz GHZIEJZTOASBIP-ONGXEEELSA-N -1 1 318.337 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CO[C@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001592517263 1167546012 /nfs/dbraw/zinc/54/60/12/1167546012.db2.gz GHZIEJZTOASBIP-ONGXEEELSA-N -1 1 318.337 0.389 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H]3[C@@H](C2)C3(F)F)c1-c1nnn[n-]1 ZINC001592516147 1167547151 /nfs/dbraw/zinc/54/71/51/1167547151.db2.gz UCSJWJSIEFBNDZ-KNVOCYPGSA-N -1 1 310.264 0.429 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H]3[C@@H](C2)C3(F)F)c1-c1nn[n-]n1 ZINC001592516147 1167547156 /nfs/dbraw/zinc/54/71/56/1167547156.db2.gz UCSJWJSIEFBNDZ-KNVOCYPGSA-N -1 1 310.264 0.429 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCC[C@H]2CCO)c1-c1nnn[n-]1 ZINC001592517812 1167547256 /nfs/dbraw/zinc/54/72/56/1167547256.db2.gz RXKOURJNUZXFPV-UWVGGRQHSA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCC[C@H]2CCO)c1-c1nn[n-]n1 ZINC001592517812 1167547262 /nfs/dbraw/zinc/54/72/62/1167547262.db2.gz RXKOURJNUZXFPV-UWVGGRQHSA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(Cc2nnc([C@H]3CCCO3)o2)c1-c1nnn[n-]1 ZINC001592517175 1167547279 /nfs/dbraw/zinc/54/72/79/1167547279.db2.gz YHMUEBKVGBYKTG-MRVPVSSYSA-N -1 1 303.282 0.988 20 0 DCADMM Cc1onc(Cc2nnc([C@H]3CCCO3)o2)c1-c1nn[n-]n1 ZINC001592517175 1167547288 /nfs/dbraw/zinc/54/72/88/1167547288.db2.gz YHMUEBKVGBYKTG-MRVPVSSYSA-N -1 1 303.282 0.988 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H](CF)C2)c1-c1nnn[n-]1 ZINC001592516247 1167548218 /nfs/dbraw/zinc/54/82/18/1167548218.db2.gz ZIKHEJJUWBBDFL-SECBINFHSA-N -1 1 308.317 0.914 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H](CF)C2)c1-c1nn[n-]n1 ZINC001592516247 1167548222 /nfs/dbraw/zinc/54/82/22/1167548222.db2.gz ZIKHEJJUWBBDFL-SECBINFHSA-N -1 1 308.317 0.914 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnc3cc[nH]c3c2)n1 ZINC001592560159 1167560460 /nfs/dbraw/zinc/56/04/60/1167560460.db2.gz PCRNQMKTXHPGPJ-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnc3cc[nH]c3c2)n1 ZINC001592560159 1167560463 /nfs/dbraw/zinc/56/04/63/1167560463.db2.gz PCRNQMKTXHPGPJ-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)n1 ZINC001592559678 1167561994 /nfs/dbraw/zinc/56/19/94/1167561994.db2.gz FPDJCUOMKYPGHX-UHLUBPPHSA-N -1 1 318.341 0.289 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)n1 ZINC001592559678 1167561996 /nfs/dbraw/zinc/56/19/96/1167561996.db2.gz FPDJCUOMKYPGHX-UHLUBPPHSA-N -1 1 318.341 0.289 20 0 DCADMM Cn1cc(Cn2cc(-c3nn[n-]n3)ccc2=O)c(C(F)F)n1 ZINC001592576534 1167567656 /nfs/dbraw/zinc/56/76/56/1167567656.db2.gz RZTFAJHCRZFQNU-UHFFFAOYSA-N -1 1 307.264 0.748 20 0 DCADMM Cn1ccc(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592580794 1167570448 /nfs/dbraw/zinc/57/04/48/1167570448.db2.gz HMUFMPSKMJOQMJ-UHFFFAOYSA-N -1 1 319.354 0.056 20 0 DCADMM Cn1ccc(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592580794 1167570455 /nfs/dbraw/zinc/57/04/55/1167570455.db2.gz HMUFMPSKMJOQMJ-UHFFFAOYSA-N -1 1 319.354 0.056 20 0 DCADMM Cn1ccnc1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592585964 1167571937 /nfs/dbraw/zinc/57/19/37/1167571937.db2.gz QJHLDQWBKJPTMK-UHFFFAOYSA-N -1 1 301.285 0.669 20 0 DCADMM Cn1ccnc1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592585964 1167571940 /nfs/dbraw/zinc/57/19/40/1167571940.db2.gz QJHLDQWBKJPTMK-UHFFFAOYSA-N -1 1 301.285 0.669 20 0 DCADMM Cn1nc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c2c1CCCC2 ZINC001592593964 1167576295 /nfs/dbraw/zinc/57/62/95/1167576295.db2.gz SRIHSXQJNNCGSZ-UHFFFAOYSA-N -1 1 313.325 0.454 20 0 DCADMM Cn1nc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c2ccccc21 ZINC001592595770 1167577428 /nfs/dbraw/zinc/57/74/28/1167577428.db2.gz FSQAJEIOUCDNJA-UHFFFAOYSA-N -1 1 323.320 0.415 20 0 DCADMM Cn1nnc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1C(F)F ZINC001592608731 1167584254 /nfs/dbraw/zinc/58/42/54/1167584254.db2.gz CNLVCVYOKQAAOE-UHFFFAOYSA-N -1 1 310.224 0.778 20 0 DCADMM Cn1nnc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1C(F)F ZINC001592608731 1167584261 /nfs/dbraw/zinc/58/42/61/1167584261.db2.gz CNLVCVYOKQAAOE-UHFFFAOYSA-N -1 1 310.224 0.778 20 0 DCADMM FC(F)c1nnc2n1CCN(c1ncncc1-c1nn[n-]n1)C2 ZINC001592627228 1167587492 /nfs/dbraw/zinc/58/74/92/1167587492.db2.gz UUHZNMYKSUMWDW-UHFFFAOYSA-N -1 1 320.267 0.206 20 0 DCADMM NC(=O)[C@H](C1CC1)N(CC1CC1)c1cc(-c2nnn[n-]2)ncn1 ZINC001592714964 1167609695 /nfs/dbraw/zinc/60/96/95/1167609695.db2.gz VSXINFCWXVRIJY-LBPRGKRZSA-N -1 1 314.353 0.137 20 0 DCADMM NC(=O)[C@H](C1CC1)N(CC1CC1)c1cc(-c2nn[n-]n2)ncn1 ZINC001592714964 1167609701 /nfs/dbraw/zinc/60/97/01/1167609701.db2.gz VSXINFCWXVRIJY-LBPRGKRZSA-N -1 1 314.353 0.137 20 0 DCADMM NC(=O)[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001592721151 1167613529 /nfs/dbraw/zinc/61/35/29/1167613529.db2.gz UZJGJQAJDPYBPN-RXMQYKEDSA-N -1 1 313.774 0.678 20 0 DCADMM NC(=O)[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001592721151 1167613532 /nfs/dbraw/zinc/61/35/32/1167613532.db2.gz UZJGJQAJDPYBPN-RXMQYKEDSA-N -1 1 313.774 0.678 20 0 DCADMM NC(=O)c1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)s1 ZINC001592736345 1167623211 /nfs/dbraw/zinc/62/32/11/1167623211.db2.gz USSLMOXXPSTURQ-UHFFFAOYSA-N -1 1 304.295 0.003 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2ncsc2c1 ZINC001592752780 1167631916 /nfs/dbraw/zinc/63/19/16/1167631916.db2.gz DLRCIESBLKMFJY-UHFFFAOYSA-N -1 1 312.318 0.944 20 0 DCADMM O=C([C@@H]1C[C@@H]1F)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592775096 1167643529 /nfs/dbraw/zinc/64/35/29/1167643529.db2.gz VJARAPWHNAQDGC-BDAKNGLRSA-N -1 1 322.369 0.935 20 0 DCADMM O=C(C=Cc1cncc(F)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592803597 1167645228 /nfs/dbraw/zinc/64/52/28/1167645228.db2.gz NGLWDQOVPYWPJM-UPHRSURJSA-N -1 1 300.257 0.776 20 0 DCADMM O=C(C=Cc1cncc(F)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592803597 1167645231 /nfs/dbraw/zinc/64/52/31/1167645231.db2.gz NGLWDQOVPYWPJM-UPHRSURJSA-N -1 1 300.257 0.776 20 0 DCADMM O=C(CCCF)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001592836238 1167647109 /nfs/dbraw/zinc/64/71/09/1167647109.db2.gz VPDVHGZLINYWRN-UHFFFAOYSA-N -1 1 319.344 0.660 20 0 DCADMM O=C(CCCF)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001592836238 1167647110 /nfs/dbraw/zinc/64/71/10/1167647110.db2.gz VPDVHGZLINYWRN-UHFFFAOYSA-N -1 1 319.344 0.660 20 0 DCADMM O=C(CCn1cnnn1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592862726 1167651487 /nfs/dbraw/zinc/65/14/87/1167651487.db2.gz FDGLOCUQXGEENY-UHFFFAOYSA-N -1 1 306.311 0.048 20 0 DCADMM O=C(CCn1cccn1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592860508 1167652149 /nfs/dbraw/zinc/65/21/49/1167652149.db2.gz WROMYPUXFXBZLC-UHFFFAOYSA-N -1 1 304.339 0.226 20 0 DCADMM O=C(CCn1cccn1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592860508 1167652154 /nfs/dbraw/zinc/65/21/54/1167652154.db2.gz WROMYPUXFXBZLC-UHFFFAOYSA-N -1 1 304.339 0.226 20 0 DCADMM O=C(Cc1cnccc1Cl)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592928617 1167668221 /nfs/dbraw/zinc/66/82/21/1167668221.db2.gz OFPGFHDZCBLGAM-UHFFFAOYSA-N -1 1 304.701 0.819 20 0 DCADMM O=C(Cc1cnccc1Cl)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592928617 1167668224 /nfs/dbraw/zinc/66/82/24/1167668224.db2.gz OFPGFHDZCBLGAM-UHFFFAOYSA-N -1 1 304.701 0.819 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(C(F)F)CCCC1 ZINC001592939661 1167670192 /nfs/dbraw/zinc/67/01/92/1167670192.db2.gz IJFIIKXQEKVWBT-UHFFFAOYSA-N -1 1 312.284 0.152 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)c1ccnc(C(F)(F)F)c1 ZINC001592941445 1167670528 /nfs/dbraw/zinc/67/05/28/1167670528.db2.gz NQHBPABLXCOPOL-UHFFFAOYSA-N -1 1 324.226 0.755 20 0 DCADMM O=C(N[C@H](c1ncon1)C1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001592955297 1167673428 /nfs/dbraw/zinc/67/34/28/1167673428.db2.gz MRAHSTRMXFCKKY-VIFPVBQESA-N -1 1 301.266 0.724 20 0 DCADMM O=C(N[C@H](c1ncon1)C1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001592955297 1167673434 /nfs/dbraw/zinc/67/34/34/1167673434.db2.gz MRAHSTRMXFCKKY-VIFPVBQESA-N -1 1 301.266 0.724 20 0 DCADMM O=C(N[C@@H](CO)C1CC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592954082 1167675189 /nfs/dbraw/zinc/67/51/89/1167675189.db2.gz VDUOBIMTAPSBKP-NSHDSACASA-N -1 1 312.333 0.849 20 0 DCADMM O=C(NCC1(C2(O)CCC2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593017458 1167688915 /nfs/dbraw/zinc/68/89/15/1167688915.db2.gz ZAOBYFIPCAOTTA-UHFFFAOYSA-N -1 1 314.349 0.687 20 0 DCADMM O=C(NCC1(C2(O)CCC2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593017458 1167688922 /nfs/dbraw/zinc/68/89/22/1167688922.db2.gz ZAOBYFIPCAOTTA-UHFFFAOYSA-N -1 1 314.349 0.687 20 0 DCADMM O=C(NC[C@@H](O)c1ccsc1)c1coc(-c2nnn[n-]2)c1 ZINC001593014202 1167689052 /nfs/dbraw/zinc/68/90/52/1167689052.db2.gz WOISYEDAZUCHBC-SECBINFHSA-N -1 1 305.319 0.985 20 0 DCADMM O=C(NC[C@@H](O)c1ccsc1)c1coc(-c2nn[n-]n2)c1 ZINC001593014202 1167689058 /nfs/dbraw/zinc/68/90/58/1167689058.db2.gz WOISYEDAZUCHBC-SECBINFHSA-N -1 1 305.319 0.985 20 0 DCADMM O=C(NCCc1cnoc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593107016 1167709819 /nfs/dbraw/zinc/70/98/19/1167709819.db2.gz ONSAWJLHIWOQKI-UHFFFAOYSA-N -1 1 302.269 0.966 20 0 DCADMM O=C(NCCc1cnoc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593107016 1167709826 /nfs/dbraw/zinc/70/98/26/1167709826.db2.gz ONSAWJLHIWOQKI-UHFFFAOYSA-N -1 1 302.269 0.966 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@H]1CCC[C@H](F)C1 ZINC001593110276 1167710644 /nfs/dbraw/zinc/71/06/44/1167710644.db2.gz VFGQFJRECPHNQD-IUCAKERBSA-N -1 1 308.321 0.103 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CC2(C1)CCCC2 ZINC001593110140 1167711156 /nfs/dbraw/zinc/71/11/56/1167711156.db2.gz UBPGALAZWYSZMF-UHFFFAOYSA-N -1 1 317.357 0.044 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1cc(Cl)cs1 ZINC001593111985 1167711480 /nfs/dbraw/zinc/71/14/80/1167711480.db2.gz KJIAFUVMLSBRCF-UHFFFAOYSA-N -1 1 324.757 0.603 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1CCCO1 ZINC001593137634 1167719728 /nfs/dbraw/zinc/71/97/28/1167719728.db2.gz LNFQOLMRDSNKEV-QMMMGPOBSA-N -1 1 308.367 0.906 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](O)CC1 ZINC001593137751 1167720994 /nfs/dbraw/zinc/72/09/94/1167720994.db2.gz SEMMZCYSBPCXNE-VIFPVBQESA-N -1 1 322.394 0.985 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc2ncccn2n1 ZINC001593146047 1167724760 /nfs/dbraw/zinc/72/47/60/1167724760.db2.gz GQRDTNUTJMWMHF-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc2ncccn2n1 ZINC001593146047 1167724768 /nfs/dbraw/zinc/72/47/68/1167724768.db2.gz GQRDTNUTJMWMHF-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H](O)c1ccccn1 ZINC001593147233 1167724956 /nfs/dbraw/zinc/72/49/56/1167724956.db2.gz HEKHCMKOYZZVJD-GFCCVEGCSA-N -1 1 311.305 0.007 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H](O)c1ccccn1 ZINC001593147233 1167724965 /nfs/dbraw/zinc/72/49/65/1167724965.db2.gz HEKHCMKOYZZVJD-GFCCVEGCSA-N -1 1 311.305 0.007 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N1CC[C@H](CF)C1 ZINC001593150057 1167727019 /nfs/dbraw/zinc/72/70/19/1167727019.db2.gz UJKYJEXGBMIGCQ-SSDOTTSWSA-N -1 1 311.346 0.824 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N1CC[C@H](CF)C1 ZINC001593150057 1167727023 /nfs/dbraw/zinc/72/70/23/1167727023.db2.gz UJKYJEXGBMIGCQ-SSDOTTSWSA-N -1 1 311.346 0.824 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc(=O)[nH]c1 ZINC001593152057 1167727114 /nfs/dbraw/zinc/72/71/14/1167727114.db2.gz UVVYMJHNMVRIJP-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc(=O)[nH]c1 ZINC001593152057 1167727120 /nfs/dbraw/zinc/72/71/20/1167727120.db2.gz UVVYMJHNMVRIJP-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cccc(=O)[nH]1 ZINC001593195519 1167734023 /nfs/dbraw/zinc/73/40/23/1167734023.db2.gz FPKNXNRMYZNFGC-UHFFFAOYSA-N -1 1 312.293 0.820 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1snnc1C1CC1 ZINC001593199345 1167734053 /nfs/dbraw/zinc/73/40/53/1167734053.db2.gz KPBZWGLFMKINAH-UHFFFAOYSA-N -1 1 303.311 0.571 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1snnc1C1CC1 ZINC001593199345 1167734058 /nfs/dbraw/zinc/73/40/58/1167734058.db2.gz KPBZWGLFMKINAH-UHFFFAOYSA-N -1 1 303.311 0.571 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@@H]2COC[C@@H]2C1 ZINC001593256094 1167747532 /nfs/dbraw/zinc/74/75/32/1167747532.db2.gz MFKAARJDIJTJCI-ZJUUUORDSA-N -1 1 315.337 0.762 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@@H]2COC[C@@H]2C1 ZINC001593256094 1167747544 /nfs/dbraw/zinc/74/75/44/1167747544.db2.gz MFKAARJDIJTJCI-ZJUUUORDSA-N -1 1 315.337 0.762 20 0 DCADMM O=C(OCc1noc2c1COCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593306392 1167767733 /nfs/dbraw/zinc/76/77/33/1167767733.db2.gz VDBPZENAEKOPOZ-UHFFFAOYSA-N -1 1 317.261 0.877 20 0 DCADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCC[C@@H]1CO ZINC001593315168 1167768426 /nfs/dbraw/zinc/76/84/26/1167768426.db2.gz GUTWMQLKZHFFME-SECBINFHSA-N -1 1 312.333 0.945 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001593338240 1167778069 /nfs/dbraw/zinc/77/80/69/1167778069.db2.gz VJQXGNQGKYOEBX-VAOFZXAKSA-N -1 1 305.363 0.914 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001593338240 1167778075 /nfs/dbraw/zinc/77/80/75/1167778075.db2.gz VJQXGNQGKYOEBX-VAOFZXAKSA-N -1 1 305.363 0.914 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCSC[C@@H]1CCO ZINC001593339754 1167782450 /nfs/dbraw/zinc/78/24/50/1167782450.db2.gz VTNCNCIJRJDRFF-QMMMGPOBSA-N -1 1 309.351 0.400 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCSC[C@@H]1CCO ZINC001593339754 1167782458 /nfs/dbraw/zinc/78/24/58/1167782458.db2.gz VTNCNCIJRJDRFF-QMMMGPOBSA-N -1 1 309.351 0.400 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@](O)(C2CC2)C1 ZINC001593339739 1167783076 /nfs/dbraw/zinc/78/30/76/1167783076.db2.gz VFYIJPKGTNWRRB-CYBMUJFWSA-N -1 1 305.363 0.915 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@](O)(C2CC2)C1 ZINC001593339739 1167783083 /nfs/dbraw/zinc/78/30/83/1167783083.db2.gz VFYIJPKGTNWRRB-CYBMUJFWSA-N -1 1 305.363 0.915 20 0 DCADMM O=C1CCCCCN1CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001593393904 1167807146 /nfs/dbraw/zinc/80/71/46/1167807146.db2.gz XLWKQJLFCQPHST-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C1CCCCCN1CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001593393904 1167807160 /nfs/dbraw/zinc/80/71/60/1167807160.db2.gz XLWKQJLFCQPHST-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC001593397239 1167811551 /nfs/dbraw/zinc/81/15/51/1167811551.db2.gz SMIFCXXBAWRFBZ-UHFFFAOYSA-N -1 1 324.304 0.727 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc2c(c1)CCC(=O)N2 ZINC001593397239 1167811559 /nfs/dbraw/zinc/81/15/59/1167811559.db2.gz SMIFCXXBAWRFBZ-UHFFFAOYSA-N -1 1 324.304 0.727 20 0 DCADMM O=c1ccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)c[nH]1 ZINC001593445381 1167845632 /nfs/dbraw/zinc/84/56/32/1167845632.db2.gz XCLWWULWICLTNG-UHFFFAOYSA-N -1 1 324.347 0.830 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H]2C[C@H]21 ZINC001593454896 1167845651 /nfs/dbraw/zinc/84/56/51/1167845651.db2.gz SVYGXNDSXDAOQJ-RQJHMYQMSA-N -1 1 313.364 0.090 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H]2C[C@H]21 ZINC001593454896 1167845664 /nfs/dbraw/zinc/84/56/64/1167845664.db2.gz SVYGXNDSXDAOQJ-RQJHMYQMSA-N -1 1 313.364 0.090 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CCC2(CCC2)C1 ZINC001593457728 1167851158 /nfs/dbraw/zinc/85/11/58/1167851158.db2.gz QOMOTUYLCWWHLY-UHFFFAOYSA-N -1 1 320.378 0.826 20 0 DCADMM O=S1(=O)CC[C@H](c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)C1 ZINC001593464750 1167852783 /nfs/dbraw/zinc/85/27/83/1167852783.db2.gz ZKNZRYADVLXUQL-LURJTMIESA-N -1 1 322.306 0.412 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccc(Cl)s1 ZINC001593489395 1167871412 /nfs/dbraw/zinc/87/14/12/1167871412.db2.gz KOIVJEKYXBACIF-UHFFFAOYSA-N -1 1 310.726 0.892 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CN1CCSCC1)CCC2 ZINC001593492165 1167876243 /nfs/dbraw/zinc/87/62/43/1167876243.db2.gz JPFBLEFJNLSAOB-UHFFFAOYSA-N -1 1 318.406 0.523 20 0 DCADMM O[C@H](CNc1ncncc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001593507154 1167886014 /nfs/dbraw/zinc/88/60/14/1167886014.db2.gz MYLWSMPVQAUCCO-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM OC[C@@H](CNc1ncncc1-c1nn[n-]n1)CC1CCOCC1 ZINC001593523767 1167900576 /nfs/dbraw/zinc/90/05/76/1167900576.db2.gz NYDJOUYODFUDPF-LLVKDONJSA-N -1 1 319.369 0.494 20 0 DCADMM OC[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)Cc1ccco1 ZINC001593524856 1167901341 /nfs/dbraw/zinc/90/13/41/1167901341.db2.gz SWHIUTPALHHVQK-SECBINFHSA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)Cc1ccco1 ZINC001593524856 1167901353 /nfs/dbraw/zinc/90/13/53/1167901353.db2.gz SWHIUTPALHHVQK-SECBINFHSA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@@]1(C(F)(F)F)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001593526881 1167905596 /nfs/dbraw/zinc/90/55/96/1167905596.db2.gz SMJJHKUEJJZRRT-SNVBAGLBSA-N -1 1 315.259 0.408 20 0 DCADMM OC[C@@]1(C(F)(F)F)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001593526881 1167905606 /nfs/dbraw/zinc/90/56/06/1167905606.db2.gz SMJJHKUEJJZRRT-SNVBAGLBSA-N -1 1 315.259 0.408 20 0 DCADMM c1cc(N[C@H](C2CCC2)[C@@H]2CCOC2)nc(-c2nn[n-]n2)n1 ZINC001593558139 1167935270 /nfs/dbraw/zinc/93/52/70/1167935270.db2.gz JWBGFOCKFSVUCP-ZYHUDNBSSA-N -1 1 301.354 0.696 20 0 DCADMM c1nncn1CC1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001593557071 1167936677 /nfs/dbraw/zinc/93/66/77/1167936677.db2.gz FVQOKQPIVDOQRZ-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1nncn1CC1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001593557071 1167936686 /nfs/dbraw/zinc/93/66/86/1167936686.db2.gz FVQOKQPIVDOQRZ-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1cc2c(c(CNc3ccnc(-c4nn[n-]n4)n3)n1)CCCC2 ZINC001593561446 1167941919 /nfs/dbraw/zinc/94/19/19/1167941919.db2.gz RAHHCIIMKZDAEZ-UHFFFAOYSA-N -1 1 308.349 0.965 20 0 DCADMM c1ncn(C2CN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n1 ZINC001593578106 1167945981 /nfs/dbraw/zinc/94/59/81/1167945981.db2.gz TUYYAOKKMHSXOT-UHFFFAOYSA-N -1 1 320.320 0.463 20 0 DCADMM c1ncn(C2CN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n1 ZINC001593578106 1167945989 /nfs/dbraw/zinc/94/59/89/1167945989.db2.gz TUYYAOKKMHSXOT-UHFFFAOYSA-N -1 1 320.320 0.463 20 0 DCADMM c1ccc(-c2nn[nH]n2)c(OCC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC001593568841 1167946269 /nfs/dbraw/zinc/94/62/69/1167946269.db2.gz FNAPXLCUJRQJJB-TXEJJXNPSA-N -1 1 317.349 0.345 20 0 DCADMM c1ccc(-c2nn[nH]n2)c(OCC[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC001593568841 1167946274 /nfs/dbraw/zinc/94/62/74/1167946274.db2.gz FNAPXLCUJRQJJB-TXEJJXNPSA-N -1 1 317.349 0.345 20 0 DCADMM c1cnc([C@@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001593583455 1167949192 /nfs/dbraw/zinc/94/91/92/1167949192.db2.gz DREUUDLJUBMBRA-SNVBAGLBSA-N -1 1 309.337 0.831 20 0 DCADMM c1cnc([C@@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001593583455 1167949199 /nfs/dbraw/zinc/94/91/99/1167949199.db2.gz DREUUDLJUBMBRA-SNVBAGLBSA-N -1 1 309.337 0.831 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N2CCO[C@@]3(CCCOC3)C2)c1 ZINC001593583259 1167949305 /nfs/dbraw/zinc/94/93/05/1167949305.db2.gz UJKIQRXJZVNZQL-AWEZNQCLSA-N -1 1 302.338 0.648 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N2CCO[C@@]3(CCCOC3)C2)c1 ZINC001593583259 1167949311 /nfs/dbraw/zinc/94/93/11/1167949311.db2.gz UJKIQRXJZVNZQL-AWEZNQCLSA-N -1 1 302.338 0.648 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(NCCCOCC2CCOCC2)n1 ZINC001593594479 1167955854 /nfs/dbraw/zinc/95/58/54/1167955854.db2.gz CMZKJELDHUYOEK-UHFFFAOYSA-N -1 1 319.369 0.902 20 0 DCADMM COC[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1nn[n-]n1 ZINC001595889744 1167981239 /nfs/dbraw/zinc/98/12/39/1167981239.db2.gz XMIMETFHKJKGHL-LBPRGKRZSA-N -1 1 313.321 0.503 20 0 DCADMM COC[C@@H](NC(=O)c1ocnc1-c1ccccc1)c1nn[n-]n1 ZINC001595889375 1167981960 /nfs/dbraw/zinc/98/19/60/1167981960.db2.gz MUUXNVFWZQIEGY-SNVBAGLBSA-N -1 1 314.305 0.972 20 0 DCADMM C[C@@H]1CN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C[C@@H](C(=O)[O-])O1 ZINC001599862825 1168073610 /nfs/dbraw/zinc/07/36/10/1168073610.db2.gz IKIYANWKJQTRFB-RNCFNFMXSA-N -1 1 318.333 0.729 20 0 DCADMM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@H](c3nn[nH]n3)C2)c1 ZINC001600109852 1168122343 /nfs/dbraw/zinc/12/23/43/1168122343.db2.gz KGCMICYVWCKHGZ-VIFPVBQESA-N -1 1 301.306 0.836 20 0 DCADMM Cc1cc(C)n(CCN(C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC001600180306 1168130381 /nfs/dbraw/zinc/13/03/81/1168130381.db2.gz KSKDFRXZBKNUTK-OLZOCXBDSA-N -1 1 308.382 0.269 20 0 DCADMM Cc1cc(CCC(=O)N[C@@H](Cc2cncs2)C(=O)[O-])n[nH]1 ZINC001600188625 1168134126 /nfs/dbraw/zinc/13/41/26/1168134126.db2.gz PNQMCLGIVIOVEB-NSHDSACASA-N -1 1 308.363 0.919 20 0 DCADMM Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCC[C@@H]2CC(=O)[O-])n[nH]1 ZINC001600189282 1168134494 /nfs/dbraw/zinc/13/44/94/1168134494.db2.gz MAJUZWHQENWVSQ-JOYOIKCWSA-N -1 1 322.365 0.231 20 0 DCADMM Cc1cc(CN[C@@H]2CCN(c3cnn(C)c3)C2=O)[nH]c1C(=O)[O-] ZINC001600204996 1168137325 /nfs/dbraw/zinc/13/73/25/1168137325.db2.gz JMFOLFKGLIBESD-GFCCVEGCSA-N -1 1 317.349 0.650 20 0 DCADMM Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H]2C)cc(C(=O)[O-])c1 ZINC001600246950 1168148030 /nfs/dbraw/zinc/14/80/30/1168148030.db2.gz HIQPQPDXWVCVPD-GWCFXTLKSA-N -1 1 319.361 0.841 20 0 DCADMM Cc1cc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)nn1C ZINC001600261431 1168152389 /nfs/dbraw/zinc/15/23/89/1168152389.db2.gz BMLMYXKXJNKYHS-LLVKDONJSA-N -1 1 309.370 0.741 20 0 DCADMM Cc1ccc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1C(=O)[O-] ZINC001600414526 1168179883 /nfs/dbraw/zinc/17/98/83/1168179883.db2.gz WPRWHTJHXKDOFQ-KBPBESRZSA-N -1 1 304.346 0.783 20 0 DCADMM Cc1cccc([C@H](O)CN2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001600518534 1168195158 /nfs/dbraw/zinc/19/51/58/1168195158.db2.gz FIXARSMQIOQTJY-UONOGXRCSA-N -1 1 306.362 0.694 20 0 DCADMM Cc1cccc2ncc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n21 ZINC001600560414 1168200829 /nfs/dbraw/zinc/20/08/29/1168200829.db2.gz LTEAWFGKAKCYHB-QWRGUYRKSA-N -1 1 304.350 0.710 20 0 DCADMM Cc1cccn2cc(CC(=O)N3CCN(CC(=O)[O-])CC3)nc12 ZINC001600589277 1168203160 /nfs/dbraw/zinc/20/31/60/1168203160.db2.gz DWPACDJOAXDOBQ-UHFFFAOYSA-N -1 1 316.361 0.414 20 0 DCADMM Cc1cncc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC001600628734 1168221289 /nfs/dbraw/zinc/22/12/89/1168221289.db2.gz PRPPFNDEFRHMKX-ZDUSSCGKSA-N -1 1 302.334 0.858 20 0 DCADMM Cc1cnn(C)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1N ZINC001600635638 1168222562 /nfs/dbraw/zinc/22/25/62/1168222562.db2.gz PFCAPHHVUIABRN-UHFFFAOYSA-N -1 1 310.335 0.810 20 0 DCADMM Cc1conc1CN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600644915 1168227546 /nfs/dbraw/zinc/22/75/46/1168227546.db2.gz JEMUTWSUBYXZTA-BJDJZHNGSA-N -1 1 307.350 0.688 20 0 DCADMM Cc1nc(CC(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)n[nH]1 ZINC001600671043 1168241524 /nfs/dbraw/zinc/24/15/24/1168241524.db2.gz FBTDNGXRAUVFAL-CQSZACIVSA-N -1 1 303.322 0.557 20 0 DCADMM Cc1nc(CNS(=O)(=O)c2ccc(F)cc2C(=O)[O-])n[nH]1 ZINC001600671278 1168241760 /nfs/dbraw/zinc/24/17/60/1168241760.db2.gz SQZOIVXOQHMRKB-UHFFFAOYSA-N -1 1 314.298 0.429 20 0 DCADMM Cc1nc(CC(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)n[nH]1 ZINC001600671039 1168241809 /nfs/dbraw/zinc/24/18/09/1168241809.db2.gz FBTDNGXRAUVFAL-AWEZNQCLSA-N -1 1 303.322 0.557 20 0 DCADMM Cc1nnc(SCC(=O)Nc2cnn(CC(=O)[O-])c2C)[nH]1 ZINC001600674615 1168243157 /nfs/dbraw/zinc/24/31/57/1168243157.db2.gz GTRJQGADODJAHW-UHFFFAOYSA-N -1 1 310.339 0.433 20 0 DCADMM Cc1nc2c(cccc2C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])[nH]1 ZINC001600720668 1168262843 /nfs/dbraw/zinc/26/28/43/1168262843.db2.gz FWAVMXPSPSEGTI-LLVKDONJSA-N -1 1 316.317 0.287 20 0 DCADMM Cc1ncc(CNC2(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)s1 ZINC001600737310 1168269404 /nfs/dbraw/zinc/26/94/04/1168269404.db2.gz QNIMVUKXABZPMH-GHMZBOCLSA-N -1 1 309.391 0.911 20 0 DCADMM Cc1nn(-c2ccncc2)cc1CN1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001600765366 1168281428 /nfs/dbraw/zinc/28/14/28/1168281428.db2.gz HHDFFBODMHCPML-GJZGRUSLSA-N -1 1 316.361 0.986 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600769094 1168284431 /nfs/dbraw/zinc/28/44/31/1168284431.db2.gz MEZFWXPPFQJOTO-PRHODGIISA-N -1 1 319.365 0.676 20 0 DCADMM Cc1nn(C)cc1CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001600776065 1168288658 /nfs/dbraw/zinc/28/86/58/1168288658.db2.gz OMZQEQGKYZCAMB-LLVKDONJSA-N -1 1 308.382 0.278 20 0 DCADMM Cc1nnc([C@@H](C)NS(=O)(=O)c2csnc2C(=O)[O-])o1 ZINC001600791911 1168297837 /nfs/dbraw/zinc/29/78/37/1168297837.db2.gz CVGSWVSEJNUHRR-SCSAIBSYSA-N -1 1 318.336 0.572 20 0 DCADMM Cn1ncc(I)c1CNC(C)(C)C(=O)[O-] ZINC001601027375 1168571681 /nfs/dbraw/zinc/57/16/81/1168571681.db2.gz GPALAJVTEZJWBF-UHFFFAOYSA-N -1 1 323.134 0.978 20 0 DCADMM Cn1nccc1[C@H](NC(=O)Cc1[nH]nc2ccccc21)C(=O)[O-] ZINC001601034538 1168573283 /nfs/dbraw/zinc/57/32/83/1168573283.db2.gz YZHJLRXDEDSXIR-AWEZNQCLSA-N -1 1 313.317 0.781 20 0 DCADMM Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001601038285 1168574562 /nfs/dbraw/zinc/57/45/62/1168574562.db2.gz RHZXOQKNJKEPJW-RWEMILLDSA-N -1 1 315.333 0.338 20 0 DCADMM N[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@H]1F ZINC001601202728 1168656463 /nfs/dbraw/zinc/65/64/63/1168656463.db2.gz MVSFLXADQFBHKA-GHMZBOCLSA-N -1 1 309.297 0.221 20 0 DCADMM O=C([O-])c1ccc(/C=C/C(=O)NC[C@@H]2CN3CCN2CCC3)o1 ZINC001601236763 1168672633 /nfs/dbraw/zinc/67/26/33/1168672633.db2.gz HBDKZKICWDOMTH-OGOUPESXSA-N -1 1 319.361 0.497 20 0 DCADMM O=C([O-])c1cnc(CCNC(=O)CCN2CC[C@@H](F)C2)s1 ZINC001601274803 1168686778 /nfs/dbraw/zinc/68/67/78/1168686778.db2.gz KWANPKRDVFQRAT-SECBINFHSA-N -1 1 315.370 0.934 20 0 DCADMM 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20 0 DCADMM CC(C)=CC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001603182751 1169267481 /nfs/dbraw/zinc/26/74/81/1169267481.db2.gz OHCBKPMRLHUBFY-UHFFFAOYSA-N -1 1 313.365 0.877 20 0 DCADMM CC(C)=CC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603183185 1169267747 /nfs/dbraw/zinc/26/77/47/1169267747.db2.gz UFVKLPUFXCAGSN-ZJUUUORDSA-N -1 1 316.369 0.928 20 0 DCADMM CC(C)=CC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603183185 1169267756 /nfs/dbraw/zinc/26/77/56/1169267756.db2.gz UFVKLPUFXCAGSN-ZJUUUORDSA-N -1 1 316.369 0.928 20 0 DCADMM CC(C)=CC(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001603182383 1169268489 /nfs/dbraw/zinc/26/84/89/1169268489.db2.gz IMVBQIXHKHCRBU-SNVBAGLBSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)=CC(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001603182383 1169268500 /nfs/dbraw/zinc/26/85/00/1169268500.db2.gz IMVBQIXHKHCRBU-SNVBAGLBSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001603197206 1169270904 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CC(C)[C@H](F)C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001603225275 1169277303 /nfs/dbraw/zinc/27/73/03/1169277303.db2.gz NOIOUDGFLKELIF-NSHDSACASA-N -1 1 322.348 0.569 20 0 DCADMM CC(C)[C@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603238575 1169278942 /nfs/dbraw/zinc/27/89/42/1169278942.db2.gz PFWYINIWWPSYAS-CQSZACIVSA-N -1 1 303.370 0.892 20 0 DCADMM CC(C)[C@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603238575 1169278950 /nfs/dbraw/zinc/27/89/50/1169278950.db2.gz PFWYINIWWPSYAS-CQSZACIVSA-N -1 1 303.370 0.892 20 0 DCADMM CC(C)CCC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001603269928 1169283686 /nfs/dbraw/zinc/28/36/86/1169283686.db2.gz GQFSADQAZPWFBC-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CC(C)CCC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001603269928 1169283692 /nfs/dbraw/zinc/28/36/92/1169283692.db2.gz GQFSADQAZPWFBC-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CC(C)(C(=O)[O-])N1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC001603259101 1169284454 /nfs/dbraw/zinc/28/44/54/1169284454.db2.gz 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ZINC001603521186 1169315054 /nfs/dbraw/zinc/31/50/54/1169315054.db2.gz RDSKAMKDZLJCCI-QMMMGPOBSA-N -1 1 322.348 0.569 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001603521186 1169315062 /nfs/dbraw/zinc/31/50/62/1169315062.db2.gz RDSKAMKDZLJCCI-QMMMGPOBSA-N -1 1 322.348 0.569 20 0 DCADMM C[C@@H](CN1CCOCC1)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603521423 1169316819 /nfs/dbraw/zinc/31/68/19/1169316819.db2.gz VNIOBHLJERIKSX-JTQLQIEISA-N -1 1 318.337 0.139 20 0 DCADMM C[C@@H](CN1CCOCC1)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603521423 1169316824 /nfs/dbraw/zinc/31/68/24/1169316824.db2.gz VNIOBHLJERIKSX-JTQLQIEISA-N -1 1 318.337 0.139 20 0 DCADMM C[C@@H](CO)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001603566345 1169324682 /nfs/dbraw/zinc/32/46/82/1169324682.db2.gz JDDCYBTXAALITC-VIFPVBQESA-N -1 1 305.338 0.940 20 0 DCADMM C[C@@H](CO)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001603566345 1169324691 /nfs/dbraw/zinc/32/46/91/1169324691.db2.gz JDDCYBTXAALITC-VIFPVBQESA-N -1 1 305.338 0.940 20 0 DCADMM C[C@](O)(C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C1CCC1 ZINC001603690828 1169355091 /nfs/dbraw/zinc/35/50/91/1169355091.db2.gz QIASNVSIOONYQX-CQSZACIVSA-N -1 1 317.353 0.957 20 0 DCADMM C[C@H](O)[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001603694910 1169359370 /nfs/dbraw/zinc/35/93/70/1169359370.db2.gz GDAVBGKXYXOLQU-DTWKUNHWSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@H](O)[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001603694910 1169359378 /nfs/dbraw/zinc/35/93/78/1169359378.db2.gz GDAVBGKXYXOLQU-DTWKUNHWSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)NC(C)(C)C ZINC001603702637 1169364499 /nfs/dbraw/zinc/36/44/99/1169364499.db2.gz DRASJQYRGLVFCO-SSDOTTSWSA-N -1 1 307.310 0.920 20 0 DCADMM CC1(C)COC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603791271 1169390736 /nfs/dbraw/zinc/39/07/36/1169390736.db2.gz GLVQKJPUYVENBV-SECBINFHSA-N -1 1 303.326 0.808 20 0 DCADMM CC1(C)COC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603791271 1169390739 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CC1=C(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C(=O)OC1(C)C ZINC001603827742 1169406130 /nfs/dbraw/zinc/40/61/30/1169406130.db2.gz QDKAHMAQQFBTBG-UHFFFAOYSA-N -1 1 303.282 0.180 20 0 DCADMM CC1=C(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C(=O)OC1(C)C ZINC001603827742 1169406132 /nfs/dbraw/zinc/40/61/32/1169406132.db2.gz QDKAHMAQQFBTBG-UHFFFAOYSA-N -1 1 303.282 0.180 20 0 DCADMM C[C@@H]1C[C@H](C)CN(C(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)C1 ZINC001603845681 1169410979 /nfs/dbraw/zinc/41/09/79/1169410979.db2.gz DVBSIWPMOCDOBI-PHIMTYICSA-N -1 1 316.365 0.533 20 0 DCADMM C[C@H](C(=O)N[C@H]1CCS[C@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001603853967 1169413435 /nfs/dbraw/zinc/41/34/35/1169413435.db2.gz IBJOKUWQEMZAER-HLTSFMKQSA-N -1 1 322.398 0.420 20 0 DCADMM C[C@H]1CCC[C@H](CNC(=O)c2ccnc(-c3nnn[n-]3)c2)O1 ZINC001603885891 1169420595 /nfs/dbraw/zinc/42/05/95/1169420595.db2.gz FZMZSBMWOSGROL-GXSJLCMTSA-N -1 1 302.338 0.949 20 0 DCADMM C[C@H]1CCC[C@H](CNC(=O)c2ccnc(-c3nn[n-]n3)c2)O1 ZINC001603885891 1169420597 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C[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@]2(CCOC2)O1 ZINC001603934934 1169440172 /nfs/dbraw/zinc/44/01/72/1169440172.db2.gz DCCISUNFQZEZOI-ZANVPECISA-N -1 1 322.394 0.703 20 0 DCADMM C[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@]2(CCOC2)O1 ZINC001603934934 1169440176 /nfs/dbraw/zinc/44/01/76/1169440176.db2.gz DCCISUNFQZEZOI-ZANVPECISA-N -1 1 322.394 0.703 20 0 DCADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC[C@H]1O ZINC001603939014 1169444491 /nfs/dbraw/zinc/44/44/91/1169444491.db2.gz ILJBMKZUNGADME-GZMMTYOYSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC[C@H]1O ZINC001603939014 1169444493 /nfs/dbraw/zinc/44/44/93/1169444493.db2.gz ILJBMKZUNGADME-GZMMTYOYSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603949054 1169448366 /nfs/dbraw/zinc/44/83/66/1169448366.db2.gz WGNQEUPFRDJBCE-VIFPVBQESA-N -1 1 324.348 0.819 20 0 DCADMM C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001603950139 1169448927 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Cc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)nc(C)n1 ZINC001605621889 1169975019 /nfs/dbraw/zinc/97/50/19/1169975019.db2.gz NUIUOEJYEIBBQZ-UHFFFAOYSA-N -1 1 316.350 0.660 20 0 DCADMM Cc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)nc(C)n1 ZINC001605621889 1169975022 /nfs/dbraw/zinc/97/50/22/1169975022.db2.gz NUIUOEJYEIBBQZ-UHFFFAOYSA-N -1 1 316.350 0.660 20 0 DCADMM Cc1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)nn1C(C)C ZINC001605627348 1169977185 /nfs/dbraw/zinc/97/71/85/1169977185.db2.gz CUBYSEYYKBRQNI-UHFFFAOYSA-N -1 1 301.314 0.928 20 0 DCADMM Cc1cc(C)n(CC(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001605649718 1169982130 /nfs/dbraw/zinc/98/21/30/1169982130.db2.gz LBDXECJNABJOPE-UHFFFAOYSA-N -1 1 318.366 0.453 20 0 DCADMM Cc1cc(C)n(CC(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001605649718 1169982133 /nfs/dbraw/zinc/98/21/33/1169982133.db2.gz LBDXECJNABJOPE-UHFFFAOYSA-N -1 1 318.366 0.453 20 0 DCADMM CCOc1cc(C(=O)N2CCNCC2)ccc1OCC(=O)[O-] ZINC001605658316 1169982588 /nfs/dbraw/zinc/98/25/88/1169982588.db2.gz YDCFTKGMKLZGRQ-UHFFFAOYSA-N -1 1 308.334 0.594 20 0 DCADMM Cc1cc(N[C@H]2CCN(C3CCC3)C2=O)cc(-c2nnn[n-]2)n1 ZINC001605724066 1169992026 /nfs/dbraw/zinc/99/20/26/1169992026.db2.gz RWJOCANUTGCQLD-LBPRGKRZSA-N -1 1 313.365 0.557 20 0 DCADMM Cc1cc(N[C@H]2CCN(C3CCC3)C2=O)cc(-c2nn[n-]n2)n1 ZINC001605724066 1169992030 /nfs/dbraw/zinc/99/20/30/1169992030.db2.gz RWJOCANUTGCQLD-LBPRGKRZSA-N -1 1 313.365 0.557 20 0 DCADMM Cc1cc(N[C@@H]2CCN(C3CCC3)C2=O)cc(-c2nnn[n-]2)n1 ZINC001605724065 1169992373 /nfs/dbraw/zinc/99/23/73/1169992373.db2.gz RWJOCANUTGCQLD-GFCCVEGCSA-N -1 1 313.365 0.557 20 0 DCADMM Cc1cc(N[C@@H]2CCN(C3CCC3)C2=O)cc(-c2nn[n-]n2)n1 ZINC001605724065 1169992380 /nfs/dbraw/zinc/99/23/80/1169992380.db2.gz RWJOCANUTGCQLD-GFCCVEGCSA-N -1 1 313.365 0.557 20 0 DCADMM Cc1cc(NCCCn2cc(CO)nn2)nc(-c2nnn[n-]2)c1 ZINC001605735734 1169995301 /nfs/dbraw/zinc/99/53/01/1169995301.db2.gz UHWKMJOUKOMZLL-UHFFFAOYSA-N -1 1 315.341 0.156 20 0 DCADMM Cc1cc(NCCCn2cc(CO)nn2)nc(-c2nn[n-]n2)c1 ZINC001605735734 1169995306 /nfs/dbraw/zinc/99/53/06/1169995306.db2.gz UHWKMJOUKOMZLL-UHFFFAOYSA-N -1 1 315.341 0.156 20 0 DCADMM CCc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@@H]1CCN(C)C1 ZINC001605790205 1170002981 /nfs/dbraw/zinc/00/29/81/1170002981.db2.gz PDGDXLGNPMYXQT-GFCCVEGCSA-N -1 1 319.361 0.706 20 0 DCADMM Cc1ccc(-c2noc(Cn3cnc(-c4nn[n-]n4)n3)n2)cc1 ZINC001605805114 1170005947 /nfs/dbraw/zinc/00/59/47/1170005947.db2.gz QEJQEFPLXLEBOZ-UHFFFAOYSA-N -1 1 309.293 0.865 20 0 DCADMM CCc1ncc(CNS(=O)(=O)c2cc(C(=O)[O-])cn2C)[nH]1 ZINC001605853214 1170012899 /nfs/dbraw/zinc/01/28/99/1170012899.db2.gz UZNBLFMPHFBOLU-UHFFFAOYSA-N -1 1 312.351 0.487 20 0 DCADMM Cc1ccn(CN2CCOC(C)(C)[C@@H]2C)c(=O)c1-c1nn[n-]n1 ZINC001605952989 1170035129 /nfs/dbraw/zinc/03/51/29/1170035129.db2.gz SVUZORWOFTYFKA-NSHDSACASA-N -1 1 318.381 0.794 20 0 DCADMM Cc1nc(N[C@@H]2C[C@@H]3CCCCN3C2=O)cc(-c2nnn[n-]2)n1 ZINC001606064049 1170067561 /nfs/dbraw/zinc/06/75/61/1170067561.db2.gz VQKZVUXLJUGGJX-GXSJLCMTSA-N -1 1 314.353 0.530 20 0 DCADMM Cc1nc(N[C@@H]2C[C@@H]3CCCCN3C2=O)cc(-c2nn[n-]n2)n1 ZINC001606064049 1170067566 /nfs/dbraw/zinc/06/75/66/1170067566.db2.gz VQKZVUXLJUGGJX-GXSJLCMTSA-N -1 1 314.353 0.530 20 0 DCADMM CN(CC(=O)N[C@]1(CC(=O)[O-])CCCOC1)[C@H]1CCSC1 ZINC001606080685 1170071462 /nfs/dbraw/zinc/07/14/62/1170071462.db2.gz KXPJFUFZWDZFJZ-FZMZJTMJSA-N -1 1 316.423 0.564 20 0 DCADMM Cc1nn(C[C@@H](O)COCC(C)C)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114424 1170078814 /nfs/dbraw/zinc/07/88/14/1170078814.db2.gz NUEKORUQYPXMDB-LLVKDONJSA-N -1 1 322.369 0.074 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnn(C)c2Cl)c1-c1nnn[n-]1 ZINC001606112178 1170079759 /nfs/dbraw/zinc/07/97/59/1170079759.db2.gz DVCGNTGKLVSMOF-UHFFFAOYSA-N -1 1 321.732 0.548 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnn(C)c2Cl)c1-c1nn[n-]n1 ZINC001606112178 1170079764 /nfs/dbraw/zinc/07/97/64/1170079764.db2.gz DVCGNTGKLVSMOF-UHFFFAOYSA-N -1 1 321.732 0.548 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)CCN1CCCC1=O ZINC001606164846 1170097717 /nfs/dbraw/zinc/09/77/17/1170097717.db2.gz 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321.304 0.796 20 0 DCADMM CN1CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)[C@@H](CO)C1 ZINC001606242691 1170134788 /nfs/dbraw/zinc/13/47/88/1170134788.db2.gz QJGQUYOVTYMMRE-NFBGWVBBSA-N -1 1 320.389 0.772 20 0 DCADMM Cn1nccc1CCOC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001606281739 1170148174 /nfs/dbraw/zinc/14/81/74/1170148174.db2.gz IDYXYEUCMJECBL-UHFFFAOYSA-N -1 1 313.321 0.324 20 0 DCADMM Cn1nccc1CCOC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001606281739 1170148178 /nfs/dbraw/zinc/14/81/78/1170148178.db2.gz IDYXYEUCMJECBL-UHFFFAOYSA-N -1 1 313.321 0.324 20 0 DCADMM CNc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cn1 ZINC001606309908 1170156850 /nfs/dbraw/zinc/15/68/50/1170156850.db2.gz CSBOYJDLIKUSMI-NSHDSACASA-N -1 1 306.366 0.744 20 0 DCADMM COC(=O)[C@H](c1cccc(OC)c1)N1CCN(CC(=O)[O-])CC1 ZINC001606341938 1170163603 /nfs/dbraw/zinc/16/36/03/1170163603.db2.gz ANOHLPYGYQTHDL-HNNXBMFYSA-N -1 1 322.361 0.612 20 0 DCADMM COC(=O)C12CC(C(=O)N3CC[N@@H+](CCC(=O)[O-])C[C@H]3C)(C1)C2 ZINC001606357838 1170168891 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DCADMM COC(=O)[C@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@@H]1C(=O)[O-] ZINC001606417803 1170193228 /nfs/dbraw/zinc/19/32/28/1170193228.db2.gz SOJTXJFBKHKFHJ-IUCAKERBSA-N -1 1 309.322 0.020 20 0 DCADMM COC(=O)[C@@H]1CN(C)CCN([C@@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001606425393 1170196096 /nfs/dbraw/zinc/19/60/96/1170196096.db2.gz IOCVTJJRVJWLQR-VHSXEESVSA-N -1 1 311.338 0.470 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2ccnn2CC(C)C)C[C@H]1C(=O)[O-] ZINC001606428825 1170197011 /nfs/dbraw/zinc/19/70/11/1170197011.db2.gz GWXGJGLRQKPVEC-CHWSQXEVSA-N -1 1 309.366 0.845 20 0 DCADMM NC(=O)c1ccc(CNCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001606429725 1170198582 /nfs/dbraw/zinc/19/85/82/1170198582.db2.gz DKQVTUGQXXKTQJ-UHFFFAOYSA-N -1 1 316.350 0.107 20 0 DCADMM NC(=O)c1ccc(CNCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001606429725 1170198584 /nfs/dbraw/zinc/19/85/84/1170198584.db2.gz DKQVTUGQXXKTQJ-UHFFFAOYSA-N -1 1 316.350 0.107 20 0 DCADMM COC(=O)[C@H]1CN(Cc2nn(C)c3ccccc23)C[C@H]1C(=O)[O-] ZINC001606432776 1170200047 /nfs/dbraw/zinc/20/00/47/1170200047.db2.gz UJQYPUFUVOKWFD-NEPJUHHUSA-N -1 1 317.345 0.879 20 0 DCADMM COC(=O)C[C@@H](C)CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001606441243 1170203824 /nfs/dbraw/zinc/20/38/24/1170203824.db2.gz QYVLIHXCIGYZKK-NWDGAFQWSA-N -1 1 314.382 0.583 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(NC2CC2)nc1 ZINC001606446241 1170206249 /nfs/dbraw/zinc/20/62/49/1170206249.db2.gz KNIJVBCHXMCDMJ-UHFFFAOYSA-N -1 1 311.309 0.303 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cnc2ccccc2c1 ZINC001606446641 1170206399 /nfs/dbraw/zinc/20/63/99/1170206399.db2.gz VTFPAYMJWRBDPA-UHFFFAOYSA-N -1 1 306.289 0.882 20 0 DCADMM COC(=O)CC[C@@H](C(=O)[O-])N1CCO[C@@]2(CCSC2)C1 ZINC001606449756 1170208122 /nfs/dbraw/zinc/20/81/22/1170208122.db2.gz PIHYTVKFIHONIX-GWCFXTLKSA-N -1 1 303.380 0.601 20 0 DCADMM Nc1ccnc(CNC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001606452228 1170209030 /nfs/dbraw/zinc/20/90/30/1170209030.db2.gz IUBCHOHZNOEBHT-UHFFFAOYSA-N -1 1 302.323 0.230 20 0 DCADMM Nc1ccnc(CNC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001606452458 1170209524 /nfs/dbraw/zinc/20/95/24/1170209524.db2.gz WWJQTHALRXZKON-UHFFFAOYSA-N -1 1 302.323 0.230 20 0 DCADMM Nc1ccnc(CNC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001606452458 1170209530 /nfs/dbraw/zinc/20/95/30/1170209530.db2.gz WWJQTHALRXZKON-UHFFFAOYSA-N -1 1 302.323 0.230 20 0 DCADMM COC(=O)Cn1cc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)nn1 ZINC001606484177 1170218540 /nfs/dbraw/zinc/21/85/40/1170218540.db2.gz LRUARGVCYJDEGS-NSHDSACASA-N -1 1 324.381 0.774 20 0 DCADMM O=C(CC1CCCC1)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001606499708 1170221154 /nfs/dbraw/zinc/22/11/54/1170221154.db2.gz VFZMLWPZJSEZMY-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CC1CCCC1)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001606499708 1170221157 /nfs/dbraw/zinc/22/11/57/1170221157.db2.gz VFZMLWPZJSEZMY-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCc1ccsc1 ZINC001606621080 1170244946 /nfs/dbraw/zinc/24/49/46/1170244946.db2.gz WWTYNISGJHNGCQ-UHFFFAOYSA-N -1 1 318.366 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/nfs/dbraw/zinc/28/31/66/1170283166.db2.gz CSIQEYFFRIPWGL-VIFPVBQESA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCCNc1cncc(-c2nn[n-]n2)n1)[C@@H]1CC12CC2 ZINC001606768509 1170283170 /nfs/dbraw/zinc/28/31/70/1170283170.db2.gz CSIQEYFFRIPWGL-VIFPVBQESA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCOC1CCOCC1)c1ccsc1-c1nnn[n-]1 ZINC001606786772 1170290125 /nfs/dbraw/zinc/29/01/25/1170290125.db2.gz HUAJBOGPQHIFFD-UHFFFAOYSA-N -1 1 323.378 0.854 20 0 DCADMM O=C(NCCOC1CCOCC1)c1ccsc1-c1nn[n-]n1 ZINC001606786772 1170290130 /nfs/dbraw/zinc/29/01/30/1170290130.db2.gz HUAJBOGPQHIFFD-UHFFFAOYSA-N -1 1 323.378 0.854 20 0 DCADMM O=C(NCCc1cnc(=O)[nH]c1)c1ccc(-c2nnn[n-]2)s1 ZINC001606796201 1170293255 /nfs/dbraw/zinc/29/32/55/1170293255.db2.gz LXLKMBXPIIQAKD-UHFFFAOYSA-N -1 1 317.334 0.396 20 0 DCADMM O=C(NCCc1cnc(=O)[nH]c1)c1ccc(-c2nn[n-]n2)s1 ZINC001606796201 1170293260 /nfs/dbraw/zinc/29/32/60/1170293260.db2.gz LXLKMBXPIIQAKD-UHFFFAOYSA-N -1 1 317.334 0.396 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccccc1Cl 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DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1COC[C@@H]1C1CC1 ZINC001606934699 1170334645 /nfs/dbraw/zinc/33/46/45/1170334645.db2.gz IEIJCERAQFJQLV-MWLCHTKSSA-N -1 1 315.337 0.808 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cccn(C2CC2)c1=O ZINC001606945558 1170336221 /nfs/dbraw/zinc/33/62/21/1170336221.db2.gz ISRPJPGSOLUHRQ-UHFFFAOYSA-N -1 1 312.293 0.339 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H](O)C12CCCC2 ZINC001607017544 1170355631 /nfs/dbraw/zinc/35/56/31/1170355631.db2.gz WKSHCQZHOVHNIG-LLVKDONJSA-N -1 1 303.322 0.979 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H](O)C12CCCC2 ZINC001607017544 1170355637 /nfs/dbraw/zinc/35/56/37/1170355637.db2.gz WKSHCQZHOVHNIG-LLVKDONJSA-N -1 1 303.322 0.979 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCS[C@H]2COCC[C@H]21 ZINC001607016634 1170355926 /nfs/dbraw/zinc/35/59/26/1170355926.db2.gz BNZSDEPTUSLDBH-KCJUWKMLSA-N -1 1 321.362 0.806 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCS[C@H]2COCC[C@H]21 ZINC001607016634 1170355972 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C[C@H](CCNC(=O)c1cccc(-c2nnn[n-]2)n1)[S@](C)=O ZINC001609111504 1170812571 /nfs/dbraw/zinc/81/25/71/1170812571.db2.gz VUJGEVVNZNQMFJ-ZEDNOMKYSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@H](CCNC(=O)c1cccc(-c2nn[n-]n2)n1)[S@](C)=O ZINC001609111504 1170812578 /nfs/dbraw/zinc/81/25/78/1170812578.db2.gz VUJGEVVNZNQMFJ-ZEDNOMKYSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N1CCCCC1=O ZINC001609114207 1170814146 /nfs/dbraw/zinc/81/41/46/1170814146.db2.gz ZRCWLPIVWFAGKS-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N1CCCCC1=O ZINC001609114207 1170814148 /nfs/dbraw/zinc/81/41/48/1170814148.db2.gz ZRCWLPIVWFAGKS-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(=O)NCC(F)(F)F ZINC001609126927 1170818640 /nfs/dbraw/zinc/81/86/40/1170818640.db2.gz ONXUNNPSIIVAKH-RXMQYKEDSA-N -1 1 316.247 0.136 20 0 DCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(=O)NCC(F)(F)F ZINC001609126927 1170818643 /nfs/dbraw/zinc/81/86/43/1170818643.db2.gz ONXUNNPSIIVAKH-RXMQYKEDSA-N -1 1 316.247 0.136 20 0 DCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1(S(C)(=O)=O)CC1 ZINC001609126707 1170819181 /nfs/dbraw/zinc/81/91/81/1170819181.db2.gz GIXYCYJCALSGCC-SSDOTTSWSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1(S(C)(=O)=O)CC1 ZINC001609126707 1170819187 /nfs/dbraw/zinc/81/91/87/1170819187.db2.gz GIXYCYJCALSGCC-SSDOTTSWSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)c1nnnn1C ZINC001609132737 1170823255 /nfs/dbraw/zinc/82/32/55/1170823255.db2.gz GPLLICYFXIMPHZ-ZCFIWIBFSA-N -1 1 318.272 0.447 20 0 DCADMM C[C@@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)c1nnnn1C ZINC001609132737 1170823260 /nfs/dbraw/zinc/82/32/60/1170823260.db2.gz GPLLICYFXIMPHZ-ZCFIWIBFSA-N -1 1 318.272 0.447 20 0 DCADMM CC1(C)[C@@H](O)CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609143190 1170825456 /nfs/dbraw/zinc/82/54/56/1170825456.db2.gz CXUTUUCYOBCWLK-VIFPVBQESA-N -1 1 303.326 0.639 20 0 DCADMM CC1(C)[C@@H](O)CCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609143190 1170825461 /nfs/dbraw/zinc/82/54/61/1170825461.db2.gz CXUTUUCYOBCWLK-VIFPVBQESA-N -1 1 303.326 0.639 20 0 DCADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C(N)=O)C1 ZINC001609168363 1170838769 /nfs/dbraw/zinc/83/87/69/1170838769.db2.gz YWTVWOOIBUJNQT-YUMQZZPRSA-N -1 1 320.378 0.654 20 0 DCADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C(N)=O)C1 ZINC001609168363 1170838779 /nfs/dbraw/zinc/83/87/79/1170838779.db2.gz YWTVWOOIBUJNQT-YUMQZZPRSA-N -1 1 320.378 0.654 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC(C)(C)O1 ZINC001609172533 1170842639 /nfs/dbraw/zinc/84/26/39/1170842639.db2.gz YITNRMWVYCYKJZ-SECBINFHSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC(C)(C)O1 ZINC001609172533 1170842648 /nfs/dbraw/zinc/84/26/48/1170842648.db2.gz YITNRMWVYCYKJZ-SECBINFHSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC(C)(C)O1 ZINC001609172534 1170843404 /nfs/dbraw/zinc/84/34/04/1170843404.db2.gz YITNRMWVYCYKJZ-VIFPVBQESA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC(C)(C)O1 ZINC001609172534 1170843412 /nfs/dbraw/zinc/84/34/12/1170843412.db2.gz YITNRMWVYCYKJZ-VIFPVBQESA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609184115 1170853773 /nfs/dbraw/zinc/85/37/73/1170853773.db2.gz QDFUXJQQFMYWCX-OTYXRUKQSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609184115 1170853786 /nfs/dbraw/zinc/85/37/86/1170853786.db2.gz QDFUXJQQFMYWCX-OTYXRUKQSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@H](C[C@@H](C)CO)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609188300 1170856277 /nfs/dbraw/zinc/85/62/77/1170856277.db2.gz IJWMEKYQQCTQPM-NXEZZACHSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@H](C[C@@H](C)CO)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609188300 1170856291 /nfs/dbraw/zinc/85/62/91/1170856291.db2.gz IJWMEKYQQCTQPM-NXEZZACHSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@H](CO)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609191109 1170861880 /nfs/dbraw/zinc/86/18/80/1170861880.db2.gz HWLDPCZIJCPDJN-SSDOTTSWSA-N -1 1 317.396 0.320 20 0 DCADMM CC[C@H](CO)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609191109 1170861889 /nfs/dbraw/zinc/86/18/89/1170861889.db2.gz HWLDPCZIJCPDJN-SSDOTTSWSA-N -1 1 317.396 0.320 20 0 DCADMM CCC[C@@H](CC)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609204710 1170865880 /nfs/dbraw/zinc/86/58/80/1170865880.db2.gz MVIXIKQTPUMOCC-SECBINFHSA-N -1 1 317.353 0.895 20 0 DCADMM CCC[C@@H](CC)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609204710 1170865893 /nfs/dbraw/zinc/86/58/93/1170865893.db2.gz MVIXIKQTPUMOCC-SECBINFHSA-N -1 1 317.353 0.895 20 0 DCADMM CCC[C@H](O)CNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001609206094 1170868920 /nfs/dbraw/zinc/86/89/20/1170868920.db2.gz KKLYQLYJZGFHTB-ZETCQYMHSA-N -1 1 311.371 0.914 20 0 DCADMM CCC[C@H](O)CNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001609206094 1170868925 /nfs/dbraw/zinc/86/89/25/1170868925.db2.gz KKLYQLYJZGFHTB-ZETCQYMHSA-N -1 1 311.371 0.914 20 0 DCADMM CCN(CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001609221599 1170877700 /nfs/dbraw/zinc/87/77/00/1170877700.db2.gz LALOOFAESRZHOL-UHFFFAOYSA-N -1 1 312.337 0.812 20 0 DCADMM CCN(CC)C(=O)CN(C)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609222752 1170878389 /nfs/dbraw/zinc/87/83/89/1170878389.db2.gz WVOLFGBHFHHGSH-UHFFFAOYSA-N -1 1 303.370 0.875 20 0 DCADMM CCN(CC)C(=O)CN(C)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609222752 1170878399 /nfs/dbraw/zinc/87/83/99/1170878399.db2.gz WVOLFGBHFHHGSH-UHFFFAOYSA-N -1 1 303.370 0.875 20 0 DCADMM CN(CC(=O)NCc1ccco1)c1cnc(-c2nnn[n-]2)cn1 ZINC001609271448 1170905596 /nfs/dbraw/zinc/90/55/96/1170905596.db2.gz TVZUVFAEZLYWNX-UHFFFAOYSA-N -1 1 314.309 0.002 20 0 DCADMM CN(CC(=O)NCc1ccco1)c1cnc(-c2nn[n-]n2)cn1 ZINC001609271448 1170905599 /nfs/dbraw/zinc/90/55/99/1170905599.db2.gz TVZUVFAEZLYWNX-UHFFFAOYSA-N -1 1 314.309 0.002 20 0 DCADMM CN(CC1CC1)C(=O)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609273305 1170906187 /nfs/dbraw/zinc/90/61/87/1170906187.db2.gz CQVCBGRIUIRQOS-UHFFFAOYSA-N -1 1 321.362 0.953 20 0 DCADMM CN(CC1CC1)C(=O)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609273305 1170906193 /nfs/dbraw/zinc/90/61/93/1170906193.db2.gz CQVCBGRIUIRQOS-UHFFFAOYSA-N -1 1 321.362 0.953 20 0 DCADMM COC(=O)CCN(CC(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC001609298917 1170922645 /nfs/dbraw/zinc/92/26/45/1170922645.db2.gz LCXTXXFHMLVXDJ-UHFFFAOYSA-N -1 1 305.342 0.682 20 0 DCADMM COC(=O)CCN(CC(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC001609298917 1170922648 /nfs/dbraw/zinc/92/26/48/1170922648.db2.gz LCXTXXFHMLVXDJ-UHFFFAOYSA-N -1 1 305.342 0.682 20 0 DCADMM CO[C@@H]1CCCN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)C1 ZINC001609314319 1170930569 /nfs/dbraw/zinc/93/05/69/1170930569.db2.gz ILDXFEZOULLREW-LLVKDONJSA-N -1 1 304.354 0.405 20 0 DCADMM COCC1(CCNC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609318550 1170931098 /nfs/dbraw/zinc/93/10/98/1170931098.db2.gz DBCZSVHOAUSMFZ-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM COCC1(CCNC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609318550 1170931107 /nfs/dbraw/zinc/93/11/07/1170931107.db2.gz DBCZSVHOAUSMFZ-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM COCCC1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609322527 1170934681 /nfs/dbraw/zinc/93/46/81/1170934681.db2.gz WSECEPDHSRHGEI-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM COCCC1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609322527 1170934685 /nfs/dbraw/zinc/93/46/85/1170934685.db2.gz WSECEPDHSRHGEI-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM COCC1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609319684 1170935663 /nfs/dbraw/zinc/93/56/63/1170935663.db2.gz JQSOVNIOGSCLJH-UHFFFAOYSA-N -1 1 302.338 0.760 20 0 DCADMM COCC1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609319684 1170935665 /nfs/dbraw/zinc/93/56/65/1170935665.db2.gz JQSOVNIOGSCLJH-UHFFFAOYSA-N -1 1 302.338 0.760 20 0 DCADMM COCc1nc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)no1 ZINC001609331557 1170941634 /nfs/dbraw/zinc/94/16/34/1170941634.db2.gz RHFXVGZXDIQZAD-UHFFFAOYSA-N -1 1 320.265 0.655 20 0 DCADMM COCc1nc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)no1 ZINC001609331557 1170941641 /nfs/dbraw/zinc/94/16/41/1170941641.db2.gz RHFXVGZXDIQZAD-UHFFFAOYSA-N -1 1 320.265 0.655 20 0 DCADMM CS(=O)(=O)CCCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609366605 1170950297 /nfs/dbraw/zinc/95/02/97/1170950297.db2.gz FBXBSPKEXVCBFX-UHFFFAOYSA-N -1 1 313.339 0.014 20 0 DCADMM CS(=O)(=O)CCCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609366605 1170950302 /nfs/dbraw/zinc/95/03/02/1170950302.db2.gz FBXBSPKEXVCBFX-UHFFFAOYSA-N -1 1 313.339 0.014 20 0 DCADMM CS(=O)(=O)CCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609366701 1170950689 /nfs/dbraw/zinc/95/06/89/1170950689.db2.gz KOSNFGHVIXEAIL-UHFFFAOYSA-N -1 1 322.803 0.823 20 0 DCADMM CS(=O)(=O)CCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609366701 1170950694 /nfs/dbraw/zinc/95/06/94/1170950694.db2.gz KOSNFGHVIXEAIL-UHFFFAOYSA-N -1 1 322.803 0.823 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H](C)c2cnn(C)c2)nn1C ZINC001609378980 1170956425 /nfs/dbraw/zinc/95/64/25/1170956425.db2.gz MYKPVFZVYBOHFJ-ZETCQYMHSA-N -1 1 315.341 0.384 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H](C)c2cnn(C)c2)nn1C ZINC001609378980 1170956430 /nfs/dbraw/zinc/95/64/30/1170956430.db2.gz MYKPVFZVYBOHFJ-ZETCQYMHSA-N -1 1 315.341 0.384 20 0 DCADMM Cc1c(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cnn1C ZINC001609383562 1170957668 /nfs/dbraw/zinc/95/76/68/1170957668.db2.gz YKCKYPKEGXJSKJ-UHFFFAOYSA-N -1 1 312.337 0.576 20 0 DCADMM Cc1c(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cnn1C ZINC001609383562 1170957671 /nfs/dbraw/zinc/95/76/71/1170957671.db2.gz YKCKYPKEGXJSKJ-UHFFFAOYSA-N -1 1 312.337 0.576 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(O)(c3ccccc3)C2)n1 ZINC001609391497 1170962376 /nfs/dbraw/zinc/96/23/76/1170962376.db2.gz LIUMQTFJHKJQCL-UHFFFAOYSA-N -1 1 309.333 0.673 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(O)(c3ccccc3)C2)n1 ZINC001609391497 1170962382 /nfs/dbraw/zinc/96/23/82/1170962382.db2.gz LIUMQTFJHKJQCL-UHFFFAOYSA-N -1 1 309.333 0.673 20 0 DCADMM Cc1csc(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001609442646 1170979004 /nfs/dbraw/zinc/97/90/04/1170979004.db2.gz YKWFPMSJGVKGDF-SSDOTTSWSA-N -1 1 319.354 0.101 20 0 DCADMM Cc1nc(C)c(C(=O)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)o1 ZINC001609449216 1170980190 /nfs/dbraw/zinc/98/01/90/1170980190.db2.gz RVAYDMPPTANIMI-UHFFFAOYSA-N -1 1 314.305 0.825 20 0 DCADMM Cc1nnc(Sc2nnc(CO)n2C)c(-c2nn[n-]n2)c1C ZINC001609461961 1170988299 /nfs/dbraw/zinc/98/82/99/1170988299.db2.gz UMDMXHKJJVPJCK-UHFFFAOYSA-N -1 1 319.354 0.046 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CSC[C@@H]2C)c1-c1nnn[n-]1 ZINC001609471161 1170989561 /nfs/dbraw/zinc/98/95/61/1170989561.db2.gz WAZAJIRQHREXCT-RCOVLWMOSA-N -1 1 308.367 0.573 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CSC[C@@H]2C)c1-c1nn[n-]n1 ZINC001609471161 1170989565 /nfs/dbraw/zinc/98/95/65/1170989565.db2.gz WAZAJIRQHREXCT-RCOVLWMOSA-N -1 1 308.367 0.573 20 0 DCADMM Cc1occc1CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609470862 1170989669 /nfs/dbraw/zinc/98/96/69/1170989669.db2.gz YWHPAURQGZDTOM-SSDOTTSWSA-N -1 1 302.298 0.237 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)nn2)n1 ZINC001609477504 1170991618 /nfs/dbraw/zinc/99/16/18/1170991618.db2.gz COQPCAKUJGKRSS-UHFFFAOYSA-N -1 1 305.689 0.296 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)nn2)n1 ZINC001609477504 1170991622 /nfs/dbraw/zinc/99/16/22/1170991622.db2.gz COQPCAKUJGKRSS-UHFFFAOYSA-N -1 1 305.689 0.296 20 0 DCADMM Cn1cc(CCNC(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001609479201 1170992029 /nfs/dbraw/zinc/99/20/29/1170992029.db2.gz WGQWZHBZGRBAJG-UHFFFAOYSA-N -1 1 315.312 0.712 20 0 DCADMM Cn1cc(CCNC(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001609479201 1170992033 /nfs/dbraw/zinc/99/20/33/1170992033.db2.gz WGQWZHBZGRBAJG-UHFFFAOYSA-N -1 1 315.312 0.712 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609481374 1170994240 /nfs/dbraw/zinc/99/42/40/1170994240.db2.gz PWXIFWPVVVIZGX-QMMMGPOBSA-N -1 1 314.309 0.566 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609481374 1170994244 /nfs/dbraw/zinc/99/42/44/1170994244.db2.gz PWXIFWPVVVIZGX-QMMMGPOBSA-N -1 1 314.309 0.566 20 0 DCADMM 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ZINC001127511543 751430837 /nfs/dbraw/zinc/43/08/37/751430837.db2.gz VUQFLJOOHIYCIY-STQMWFEESA-N -1 1 315.377 0.910 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)C2CN(C[C@@H]3CCO[C@H](C)C3)C2)c1[O-] ZINC001042619445 751786388 /nfs/dbraw/zinc/78/63/88/751786388.db2.gz DMGHVNPALTXMBI-ZYHUDNBSSA-N -1 1 322.409 0.995 20 0 DCADMM CN(C(=O)c1ncccc1[O-])C1CN(CCn2cccn2)C1 ZINC001042646326 751804975 /nfs/dbraw/zinc/80/49/75/751804975.db2.gz PBGZMZXHXSGTAC-UHFFFAOYSA-N -1 1 301.350 0.440 20 0 DCADMM CN(C(=O)C1C=CC=CC=C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001042810020 751926505 /nfs/dbraw/zinc/92/65/05/751926505.db2.gz DTQJSVVUFKXIGX-UHFFFAOYSA-N -1 1 315.377 0.049 20 0 DCADMM CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107246755 751967020 /nfs/dbraw/zinc/96/70/20/751967020.db2.gz MYYWSVOEVZTECN-IAQYHMDHSA-N -1 1 307.398 0.379 20 0 DCADMM CC(C)Cn1ncnc1CNCCNC(=O)c1ncccc1[O-] ZINC001126118472 748225194 /nfs/dbraw/zinc/22/51/94/748225194.db2.gz CKDIHDXIGTYKRH-UHFFFAOYSA-N -1 1 318.381 0.554 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2CC23CC3)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087740089 749036495 /nfs/dbraw/zinc/03/64/95/749036495.db2.gz PBYMPXPXABAUGV-GRYCIOLGSA-N -1 1 319.409 0.378 20 0 DCADMM COCCC(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516855 749275861 /nfs/dbraw/zinc/27/58/61/749275861.db2.gz WLOFNWOYLFPIDZ-LBPRGKRZSA-N -1 1 321.377 0.792 20 0 DCADMM C[C@@H]1CCC[C@@H](C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)C1 ZINC001043700242 752355832 /nfs/dbraw/zinc/35/58/32/752355832.db2.gz QSKCMXBOAJJIBL-VXGBXAGGSA-N -1 1 321.425 0.577 20 0 DCADMM COc1cccc(F)c1C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001127934741 752571653 /nfs/dbraw/zinc/57/16/53/752571653.db2.gz PIFHVUSDZLWGGR-UHFFFAOYSA-N -1 1 309.301 0.178 20 0 DCADMM O=C(c1ccccc1O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044934900 752942027 /nfs/dbraw/zinc/94/20/27/752942027.db2.gz LKCWRSOZMBXXEY-JTQLQIEISA-N -1 1 317.349 0.610 20 0 DCADMM O=C(C[C@H]1CCCO1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044942676 752946226 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O=C(CC1CC1)NC[C@@H]1COCCN1C(=O)c1ncccc1[O-] ZINC001061194907 753567100 /nfs/dbraw/zinc/56/71/00/753567100.db2.gz CMOUTMSPMFIASI-GFCCVEGCSA-N -1 1 319.361 0.545 20 0 DCADMM Cn1ccc(CN2CC[C@](C)(NC(=O)c3ncccc3[O-])C2)n1 ZINC001046262357 753598977 /nfs/dbraw/zinc/59/89/77/753598977.db2.gz PPCYDNRHQLPMMK-INIZCTEOSA-N -1 1 315.377 0.915 20 0 DCADMM CCCOCC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001071953379 762253210 /nfs/dbraw/zinc/25/32/10/762253210.db2.gz YOQZPVGUWAAEDH-NEPJUHHUSA-N -1 1 321.377 0.791 20 0 DCADMM CCOC(=O)c1c[n-]c(NC(=O)c2cnn3ncccc23)n1 ZINC001128946437 754378023 /nfs/dbraw/zinc/37/80/23/754378023.db2.gz PCJGAELCPXZOLC-UHFFFAOYSA-N -1 1 300.278 0.881 20 0 DCADMM C[C@H]1CC[C@@H](NC(=O)C(C)(C)C)CN1Cc1nc(=O)n(C)[n-]1 ZINC001072016390 762298408 /nfs/dbraw/zinc/29/84/08/762298408.db2.gz QJIHJEYHGVPMDP-WDEREUQCSA-N -1 1 309.414 0.624 20 0 DCADMM CCO[C@H](C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001062606133 754811443 /nfs/dbraw/zinc/81/14/43/754811443.db2.gz 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COCCC(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082022839 756893182 /nfs/dbraw/zinc/89/31/82/756893182.db2.gz PPHITDLDYHHDOE-LBPRGKRZSA-N -1 1 321.377 0.935 20 0 DCADMM CC[C@H](C)C(=O)N(CCO)CCNC(=O)c1ncccc1[O-] ZINC001057017384 757031132 /nfs/dbraw/zinc/03/11/32/757031132.db2.gz ZEDOPBUJHIJSJZ-NSHDSACASA-N -1 1 309.366 0.384 20 0 DCADMM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082497468 757157602 /nfs/dbraw/zinc/15/76/02/757157602.db2.gz RUICVQNVIIEZCW-RYPBNFRJSA-N -1 1 315.324 0.348 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H](C)CCCCNCc2cnon2)c1[O-] ZINC001170212190 762567903 /nfs/dbraw/zinc/56/79/03/762567903.db2.gz RAWDOIYIBWRBDG-VIFPVBQESA-N -1 1 322.369 0.885 20 0 DCADMM Nc1ccc2ccc(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)nc2n1 ZINC001170216802 762569578 /nfs/dbraw/zinc/56/95/78/762569578.db2.gz OVSOCKUVPQFLPR-UHFFFAOYSA-N -1 1 310.277 0.985 20 0 DCADMM CCC[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ncccc1[O-] ZINC001057410365 757734004 /nfs/dbraw/zinc/73/40/04/757734004.db2.gz OGACZFJUKBQKOL-GFCCVEGCSA-N -1 1 323.393 0.774 20 0 DCADMM Cn1[n-]c(CN2CCC3(CN(C(=O)CCC4CC4)C3)C2)nc1=O ZINC001072563148 762571351 /nfs/dbraw/zinc/57/13/51/762571351.db2.gz IEVQRQVVQZWGPM-UHFFFAOYSA-N -1 1 319.409 0.333 20 0 DCADMM Cc1c(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cccc1C(N)=O ZINC001170220363 762571461 /nfs/dbraw/zinc/57/14/61/762571461.db2.gz WVCTWOOOBMPONO-UHFFFAOYSA-N -1 1 300.278 0.867 20 0 DCADMM CCOC(=O)Cc1ncncc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170231617 762574701 /nfs/dbraw/zinc/57/47/01/762574701.db2.gz FWHCWHZUAHVZNX-UHFFFAOYSA-N -1 1 315.293 0.698 20 0 DCADMM COCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050528172 757799859 /nfs/dbraw/zinc/79/98/59/757799859.db2.gz BMXPQEFWVVSYHF-NEPJUHHUSA-N -1 1 321.377 0.791 20 0 DCADMM C[C@@H]1CCC[C@H](OCC(=O)N2CCOC[C@@H]2c2nn[n-]n2)C1 ZINC000822400997 758193791 /nfs/dbraw/zinc/19/37/91/758193791.db2.gz AIBPCSRIWWROKK-GRYCIOLGSA-N -1 1 309.370 0.695 20 0 DCADMM O=C(NC[C@@H]1COCCN1C[C@@H]1CCOC1)c1ncccc1[O-] ZINC001050887438 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960194175 /nfs/dbraw/zinc/19/41/75/960194175.db2.gz JIZBJYOTLQNUBP-KRTXAFLBSA-N -1 1 314.367 0.027 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@]2(O)CCSC2)n1 ZINC001362933454 960194181 /nfs/dbraw/zinc/19/41/81/960194181.db2.gz JIZBJYOTLQNUBP-KRTXAFLBSA-N -1 1 314.367 0.027 20 0 DCADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@]2(O)CCSC2)n[n-]1 ZINC001362933440 960195010 /nfs/dbraw/zinc/19/50/10/960195010.db2.gz JIZBJYOTLQNUBP-JMCQJSRRSA-N -1 1 314.367 0.027 20 0 DCADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@]2(O)CCSC2)[n-]1 ZINC001362933440 960195016 /nfs/dbraw/zinc/19/50/16/960195016.db2.gz JIZBJYOTLQNUBP-JMCQJSRRSA-N -1 1 314.367 0.027 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@]2(O)CCSC2)n1 ZINC001362933440 960195024 /nfs/dbraw/zinc/19/50/24/960195024.db2.gz JIZBJYOTLQNUBP-JMCQJSRRSA-N -1 1 314.367 0.027 20 0 DCADMM Cc1nc([C@H](C)NS(=O)(=O)c2scnc2C(=O)[O-])n[nH]1 ZINC000392439609 972486804 /nfs/dbraw/zinc/48/68/04/972486804.db2.gz ZJUVCHWKJXFIEW-BYPYZUCNSA-N -1 1 317.352 0.307 20 0 DCADMM 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CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C[C@@H]2CCCOC2)n1 ZINC001363232079 960658647 /nfs/dbraw/zinc/65/86/47/960658647.db2.gz OKODZAJAESAJOG-ZJUUUORDSA-N -1 1 310.354 0.975 20 0 DCADMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC001574291283 960686039 /nfs/dbraw/zinc/68/60/39/960686039.db2.gz NVUJLHQPGODQPR-WQGACYEGSA-N -1 1 310.394 0.809 20 0 DCADMM Cc1cc(C(=O)N[C@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)cc(C)n1 ZINC001377800645 960686976 /nfs/dbraw/zinc/68/69/76/960686976.db2.gz HLRMGTPSEBVJFT-GHMZBOCLSA-N -1 1 318.381 0.819 20 0 DCADMM C[C@](CNCc1n[nH]c(=O)[n-]1)(NC(=O)[C@@H]1CC12CC2)C1CC1 ZINC001378418389 960727872 /nfs/dbraw/zinc/72/78/72/960727872.db2.gz WHSQFDBLOFGSIW-IINYFYTJSA-N -1 1 305.382 0.685 20 0 DCADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cnn(C)c1 ZINC001378438482 960754675 /nfs/dbraw/zinc/75/46/75/960754675.db2.gz BBCRESDZPFTTJV-LLVKDONJSA-N -1 1 321.385 0.322 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001363276650 960760007 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CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681059244 548197141 /nfs/dbraw/zinc/19/71/41/548197141.db2.gz YMTOJPOMBCLRTN-SECBINFHSA-N -1 1 302.327 0.295 20 0 DCADMM O=C(CNC(=O)c1c(F)cccc1Cl)NCc1nn[n-]n1 ZINC000681118894 548204709 /nfs/dbraw/zinc/20/47/09/548204709.db2.gz GURUYYSCWJXFDZ-UHFFFAOYSA-N -1 1 312.692 0.038 20 0 DCADMM C[C@H](CN(C)C(=O)c1ccc2[nH]c(=O)oc2c1)c1nn[n-]n1 ZINC000681352474 548240722 /nfs/dbraw/zinc/24/07/22/548240722.db2.gz CDDPFHYRARECPM-SSDOTTSWSA-N -1 1 302.294 0.922 20 0 DCADMM COCC(=O)NC1CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000681713195 548284265 /nfs/dbraw/zinc/28/42/65/548284265.db2.gz HMZMPZBWJINRIZ-UHFFFAOYSA-N -1 1 307.350 0.463 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CCc2nccn2C1 ZINC000682607869 548409189 /nfs/dbraw/zinc/40/91/89/548409189.db2.gz OGTYOZMVMTWQQK-OCCSQVGLSA-N -1 1 323.360 0.864 20 0 DCADMM COCCN(Cc1ncccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000685466899 548712625 /nfs/dbraw/zinc/71/26/25/548712625.db2.gz NYZDANUFNZUQJO-NSHDSACASA-N -1 1 300.380 0.423 20 0 DCADMM OCCOCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738393996 598955098 /nfs/dbraw/zinc/95/50/98/598955098.db2.gz NLMBMGUGLPNGAU-UHFFFAOYSA-N -1 1 301.310 0.231 20 0 DCADMM OCCOCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738393996 598955100 /nfs/dbraw/zinc/95/51/00/598955100.db2.gz NLMBMGUGLPNGAU-UHFFFAOYSA-N -1 1 301.310 0.231 20 0 DCADMM Cc1nc(C(C)(C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC000737468375 599000388 /nfs/dbraw/zinc/00/03/88/599000388.db2.gz XYUMDDBVMHKKQG-UHFFFAOYSA-N -1 1 314.309 0.618 20 0 DCADMM Cc1nc(C(C)(C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC000737468375 599000389 /nfs/dbraw/zinc/00/03/89/599000389.db2.gz XYUMDDBVMHKKQG-UHFFFAOYSA-N -1 1 314.309 0.618 20 0 DCADMM Cc1ncsc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737502684 599003092 /nfs/dbraw/zinc/00/30/92/599003092.db2.gz HSWURKWLPYSWAJ-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1ncsc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737502684 599003094 /nfs/dbraw/zinc/00/30/94/599003094.db2.gz HSWURKWLPYSWAJ-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cn1cc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000737605343 599030296 /nfs/dbraw/zinc/03/02/96/599030296.db2.gz NIHJEOJUIJJXHX-ZDUSSCGKSA-N -1 1 324.348 0.973 20 0 DCADMM Cn1cc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000737605343 599030299 /nfs/dbraw/zinc/03/02/99/599030299.db2.gz NIHJEOJUIJJXHX-ZDUSSCGKSA-N -1 1 324.348 0.973 20 0 DCADMM CS(=O)(=O)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000821926501 599105530 /nfs/dbraw/zinc/10/55/30/599105530.db2.gz HDTBJNWIIRIECY-UHFFFAOYSA-N -1 1 308.776 0.433 20 0 DCADMM CS(=O)(=O)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000821926501 599105531 /nfs/dbraw/zinc/10/55/31/599105531.db2.gz HDTBJNWIIRIECY-UHFFFAOYSA-N -1 1 308.776 0.433 20 0 DCADMM CCOc1ccccc1OCCn1cnc(-c2nn[n-]n2)n1 ZINC000821438185 599123624 /nfs/dbraw/zinc/12/36/24/599123624.db2.gz VBEIKDPZZVBDBD-UHFFFAOYSA-N -1 1 301.310 0.936 20 0 DCADMM CC[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736323371 599134269 /nfs/dbraw/zinc/13/42/69/599134269.db2.gz DTRPJDLXFQHFBA-MRVPVSSYSA-N -1 1 304.310 0.333 20 0 DCADMM CC[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736323371 599134271 /nfs/dbraw/zinc/13/42/71/599134271.db2.gz DTRPJDLXFQHFBA-MRVPVSSYSA-N -1 1 304.310 0.333 20 0 DCADMM O=C(OCc1nc(C2CC2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738244911 599134297 /nfs/dbraw/zinc/13/42/97/599134297.db2.gz MNJUBWKODJMSFD-UHFFFAOYSA-N -1 1 313.277 0.879 20 0 DCADMM O=C(OCc1nc(C2CC2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738244911 599134298 /nfs/dbraw/zinc/13/42/98/599134298.db2.gz MNJUBWKODJMSFD-UHFFFAOYSA-N -1 1 313.277 0.879 20 0 DCADMM CNC(=O)c1cccc(NC(=O)[C@@H](C)N(C)CCC(=O)[O-])c1 ZINC000818491072 597001071 /nfs/dbraw/zinc/00/10/71/597001071.db2.gz XZDPHWLQSAYXPP-SNVBAGLBSA-N -1 1 307.350 0.780 20 0 DCADMM C[C@@]1(C2CC2)NC(=O)N(CN2CCC[C@H](CC(=O)[O-])C2)C1=O ZINC000818080537 597044490 /nfs/dbraw/zinc/04/44/90/597044490.db2.gz QDJWHDOAJVRPER-BMIGLBTASA-N -1 1 309.366 0.851 20 0 DCADMM CC(C)(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735602302 599239054 /nfs/dbraw/zinc/23/90/54/599239054.db2.gz CSMSBCNXSNMTIS-JTQLQIEISA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735602302 599239056 /nfs/dbraw/zinc/23/90/56/599239056.db2.gz CSMSBCNXSNMTIS-JTQLQIEISA-N -1 1 304.354 0.789 20 0 DCADMM CN(C)CC(=O)N1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000820535888 597344230 /nfs/dbraw/zinc/34/42/30/597344230.db2.gz VEJAWMDNHADHLC-UHFFFAOYSA-N -1 1 305.378 0.591 20 0 DCADMM Cc1ncc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])s1 ZINC000230275250 597389025 /nfs/dbraw/zinc/38/90/25/597389025.db2.gz FLQNBWVTCKAJBO-UHFFFAOYSA-N -1 1 307.397 0.088 20 0 DCADMM CN1CCN(C(C)(C)CNC(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000818482467 597507013 /nfs/dbraw/zinc/50/70/13/597507013.db2.gz XTBFYMDZKBDSEK-LBPRGKRZSA-N -1 1 312.414 0.129 20 0 DCADMM CN(C)S(=O)(=O)c1cccc(CN2CC[C@H](C(=O)[O-])C2)c1 ZINC000062133844 597525273 /nfs/dbraw/zinc/52/52/73/597525273.db2.gz WDXDLCOUXWXLDS-LBPRGKRZSA-N -1 1 312.391 0.843 20 0 DCADMM C[C@@H](CN1CCOCC1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000820095513 597735757 /nfs/dbraw/zinc/73/57/57/597735757.db2.gz GKPLUTYIZNAQTO-LBPRGKRZSA-N -1 1 306.362 0.969 20 0 DCADMM CC(C)(NCC(=O)NCC(=O)[O-])C(=O)NCC1CCCCC1 ZINC000819948191 597805570 /nfs/dbraw/zinc/80/55/70/597805570.db2.gz GOCLSBOAFJHQHG-UHFFFAOYSA-N -1 1 313.398 0.252 20 0 DCADMM NC(=O)c1cnn2cc(CN3CCC(C(=O)[O-])CC3)cnc12 ZINC000821357255 598120226 /nfs/dbraw/zinc/12/02/26/598120226.db2.gz NBIOORYWPLGAOI-UHFFFAOYSA-N -1 1 303.322 0.125 20 0 DCADMM C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736279104 598258887 /nfs/dbraw/zinc/25/88/87/598258887.db2.gz VIMCIJQROHWXMR-SECBINFHSA-N -1 1 308.367 0.682 20 0 DCADMM C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736279104 598258888 /nfs/dbraw/zinc/25/88/88/598258888.db2.gz VIMCIJQROHWXMR-SECBINFHSA-N -1 1 308.367 0.682 20 0 DCADMM Oc1ccccc1N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738400828 598337210 /nfs/dbraw/zinc/33/72/10/598337210.db2.gz LEZIXVWSFGFTKL-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Oc1ccccc1N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738400828 598337212 /nfs/dbraw/zinc/33/72/12/598337212.db2.gz LEZIXVWSFGFTKL-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Cn1nccc1[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000737629033 598347034 /nfs/dbraw/zinc/34/70/34/598347034.db2.gz UJCLPXATMHHAEC-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nccc1[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000737629033 598347035 /nfs/dbraw/zinc/34/70/35/598347035.db2.gz UJCLPXATMHHAEC-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM O=C1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1c1ccccc1 ZINC000738301620 598348908 /nfs/dbraw/zinc/34/89/08/598348908.db2.gz PRDHBRWFHOOAHM-JTQLQIEISA-N -1 1 322.332 0.874 20 0 DCADMM O=C1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1c1ccccc1 ZINC000738301620 598348910 /nfs/dbraw/zinc/34/89/10/598348910.db2.gz PRDHBRWFHOOAHM-JTQLQIEISA-N -1 1 322.332 0.874 20 0 DCADMM COC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC000736937094 598352755 /nfs/dbraw/zinc/35/27/55/598352755.db2.gz UWZODAAHDUTWAN-MRVPVSSYSA-N -1 1 304.314 0.299 20 0 DCADMM COC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC000736937094 598352757 /nfs/dbraw/zinc/35/27/57/598352757.db2.gz UWZODAAHDUTWAN-MRVPVSSYSA-N -1 1 304.314 0.299 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC000736291646 598463818 /nfs/dbraw/zinc/46/38/18/598463818.db2.gz XBAFJIVWTZHTEG-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC000736291646 598463819 /nfs/dbraw/zinc/46/38/19/598463819.db2.gz XBAFJIVWTZHTEG-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM O=C(NCCNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000738082154 598746792 /nfs/dbraw/zinc/74/67/92/598746792.db2.gz HYVZAHSOOCFDFZ-UHFFFAOYSA-N -1 1 313.774 0.915 20 0 DCADMM O=C(NCCNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000738082154 598746794 /nfs/dbraw/zinc/74/67/94/598746794.db2.gz HYVZAHSOOCFDFZ-UHFFFAOYSA-N -1 1 313.774 0.915 20 0 DCADMM CC[C@H](C)[C@](C)(O)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820862628 599379440 /nfs/dbraw/zinc/37/94/40/599379440.db2.gz QVXSBWWAOBYSIR-LKFCYVNXSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@H](C)[C@](C)(O)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820862628 599379442 /nfs/dbraw/zinc/37/94/42/599379442.db2.gz QVXSBWWAOBYSIR-LKFCYVNXSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820862630 599379781 /nfs/dbraw/zinc/37/97/81/599379781.db2.gz QVXSBWWAOBYSIR-OTYXRUKQSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820862630 599379784 /nfs/dbraw/zinc/37/97/84/599379784.db2.gz QVXSBWWAOBYSIR-OTYXRUKQSA-N -1 1 304.354 0.789 20 0 DCADMM CC(=O)N(C)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735458861 599417680 /nfs/dbraw/zinc/41/76/80/599417680.db2.gz SFJPRYGZBBRVHR-UHFFFAOYSA-N -1 1 301.354 0.709 20 0 DCADMM CC(=O)N(C)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735458861 599417682 /nfs/dbraw/zinc/41/76/82/599417682.db2.gz SFJPRYGZBBRVHR-UHFFFAOYSA-N -1 1 301.354 0.709 20 0 DCADMM c1cnn(C[C@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)c1 ZINC000738412722 599432651 /nfs/dbraw/zinc/43/26/51/599432651.db2.gz MDNYTVYKKHMZSP-LLVKDONJSA-N -1 1 312.337 0.364 20 0 DCADMM c1cnn(C[C@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)c1 ZINC000738412722 599432654 /nfs/dbraw/zinc/43/26/54/599432654.db2.gz MDNYTVYKKHMZSP-LLVKDONJSA-N -1 1 312.337 0.364 20 0 DCADMM c1ncn(C[C@@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)n1 ZINC000738413349 599435063 /nfs/dbraw/zinc/43/50/63/599435063.db2.gz UGCJBDXUJKIETO-LLVKDONJSA-N -1 1 311.353 0.770 20 0 DCADMM c1ncn(C[C@@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)n1 ZINC000738413349 599435066 /nfs/dbraw/zinc/43/50/66/599435066.db2.gz UGCJBDXUJKIETO-LLVKDONJSA-N -1 1 311.353 0.770 20 0 DCADMM C[C@@H](CN(C)Cc1ccc(S(=O)(=O)N(C)C)o1)C(=O)[O-] ZINC000736576518 599752570 /nfs/dbraw/zinc/75/25/70/599752570.db2.gz ANRZRNZIBRSJCM-VIFPVBQESA-N -1 1 304.368 0.682 20 0 DCADMM C[C@H]1CCCN(CCNS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000736795880 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C[C@@H](C[C@@H]1CCOC1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820235930 607136894 /nfs/dbraw/zinc/13/68/94/607136894.db2.gz VGVIVLBEOWAGBJ-IUCAKERBSA-N -1 1 320.357 0.537 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1Cc1nnc(-c2ccco2)o1 ZINC000823656955 607173506 /nfs/dbraw/zinc/17/35/06/607173506.db2.gz KMZKWRNIQHCRIJ-UHFFFAOYSA-N -1 1 311.261 0.720 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCc2ccccc2C1 ZINC000823126030 607206167 /nfs/dbraw/zinc/20/61/67/607206167.db2.gz FQMNAOIWOAHVSX-LBPRGKRZSA-N -1 1 324.348 0.132 20 0 DCADMM C[C@@H](c1ccccn1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820571451 607210893 /nfs/dbraw/zinc/21/08/93/607210893.db2.gz YSJZSHJXUODCDK-VIFPVBQESA-N -1 1 313.325 0.073 20 0 DCADMM CC(C)[C@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820037783 607217989 /nfs/dbraw/zinc/21/79/89/607217989.db2.gz HUYJSSMEBAMOMD-SNVBAGLBSA-N -1 1 304.358 0.495 20 0 DCADMM CC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nccs1 ZINC000820919718 607218139 /nfs/dbraw/zinc/21/81/39/607218139.db2.gz FYSQVJITNPXHQI-SSDOTTSWSA-N -1 1 319.354 0.182 20 0 DCADMM C[C@H]1Cc2ccccc2CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820814636 607219369 /nfs/dbraw/zinc/21/93/69/607219369.db2.gz WTOJIGZPXBJNJS-JTQLQIEISA-N -1 1 324.348 0.432 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823125985 607219731 /nfs/dbraw/zinc/21/97/31/607219731.db2.gz DOKTWANIWWXPIF-GHMZBOCLSA-N -1 1 316.369 0.543 20 0 DCADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821034577 607220352 /nfs/dbraw/zinc/22/03/52/607220352.db2.gz PIGWVCXOTSHDJJ-QWRGUYRKSA-N -1 1 318.385 0.885 20 0 DCADMM CCC(CC)(CC)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820882048 607223341 /nfs/dbraw/zinc/22/33/41/607223341.db2.gz IMCRXIASPLGSFX-UHFFFAOYSA-N -1 1 306.374 0.791 20 0 DCADMM CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821950486 607224951 /nfs/dbraw/zinc/22/49/51/607224951.db2.gz NRDTZJOQRKWPAB-XCBNKYQSSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821950486 607224952 /nfs/dbraw/zinc/22/49/52/607224952.db2.gz NRDTZJOQRKWPAB-XCBNKYQSSA-N -1 1 308.367 0.104 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCOC(C)(C)C2)n1 ZINC000826357169 607835232 /nfs/dbraw/zinc/83/52/32/607835232.db2.gz UHMXQPPZMGQQKI-MRVPVSSYSA-N -1 1 320.357 0.679 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCOC(C)(C)C2)n1 ZINC000826357169 607835233 /nfs/dbraw/zinc/83/52/33/607835233.db2.gz UHMXQPPZMGQQKI-MRVPVSSYSA-N -1 1 320.357 0.679 20 0 DCADMM CC(=O)N1CC[C@H](CN(C)c2cccc(-c3nn[n-]n3)n2)C1 ZINC000823974858 607849161 /nfs/dbraw/zinc/84/91/61/607849161.db2.gz TVTYPLIOWZUBEF-LLVKDONJSA-N -1 1 301.354 0.566 20 0 DCADMM CC(=O)N1CC[C@H](CN(C)c2cccc(-c3nnn[n-]3)n2)C1 ZINC000823974858 607849160 /nfs/dbraw/zinc/84/91/60/607849160.db2.gz TVTYPLIOWZUBEF-LLVKDONJSA-N -1 1 301.354 0.566 20 0 DCADMM CC(C)CSCCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824274919 607916677 /nfs/dbraw/zinc/91/66/77/607916677.db2.gz MWTWSIIJAFTPHJ-UHFFFAOYSA-N -1 1 324.414 0.354 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000826393063 607963628 /nfs/dbraw/zinc/96/36/28/607963628.db2.gz AAYHCMPDUYLHHZ-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000826393063 607963629 /nfs/dbraw/zinc/96/36/29/607963629.db2.gz AAYHCMPDUYLHHZ-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM C[C@@H](CO)CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824437028 608007611 /nfs/dbraw/zinc/00/76/11/608007611.db2.gz XHIMCUUBRMQKCM-MRVPVSSYSA-N -1 1 308.346 0.130 20 0 DCADMM C[C@@H](CO)CCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824437028 608007612 /nfs/dbraw/zinc/00/76/12/608007612.db2.gz XHIMCUUBRMQKCM-MRVPVSSYSA-N -1 1 308.346 0.130 20 0 DCADMM CC1(C)CCC(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000824795784 608008377 /nfs/dbraw/zinc/00/83/77/608008377.db2.gz DQFGEGAPODWKCS-UHFFFAOYSA-N -1 1 318.385 0.791 20 0 DCADMM CC(C)CCOCCNC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824249763 608012596 /nfs/dbraw/zinc/01/25/96/608012596.db2.gz UEEQLJMQRUOMHL-UHFFFAOYSA-N -1 1 307.358 0.242 20 0 DCADMM CC(C)CCOCCNC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824249763 608012597 /nfs/dbraw/zinc/01/25/97/608012597.db2.gz UEEQLJMQRUOMHL-UHFFFAOYSA-N -1 1 307.358 0.242 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H](C3CC3)C2)n1 ZINC000826356721 608119200 /nfs/dbraw/zinc/11/92/00/608119200.db2.gz CPCPEZIYCBGRSR-SECBINFHSA-N -1 1 302.342 0.864 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H](C3CC3)C2)n1 ZINC000826356721 608119201 /nfs/dbraw/zinc/11/92/01/608119201.db2.gz CPCPEZIYCBGRSR-SECBINFHSA-N -1 1 302.342 0.864 20 0 DCADMM Cc1nc(Cl)ccc1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826327233 608120037 /nfs/dbraw/zinc/12/00/37/608120037.db2.gz YQBRFEXEBMLYIF-UHFFFAOYSA-N -1 1 318.728 0.885 20 0 DCADMM OCCn1cc(Nc2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826510196 608179917 /nfs/dbraw/zinc/17/99/17/608179917.db2.gz CDWKVUYCUDOGDY-UHFFFAOYSA-N -1 1 312.746 0.909 20 0 DCADMM OCCn1cc(Nc2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826510196 608179918 /nfs/dbraw/zinc/17/99/18/608179918.db2.gz CDWKVUYCUDOGDY-UHFFFAOYSA-N -1 1 312.746 0.909 20 0 DCADMM CCc1nn(Cc2ccn(C)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762773 608198209 /nfs/dbraw/zinc/19/82/09/608198209.db2.gz IFZZMSCCXONKOJ-UHFFFAOYSA-N -1 1 314.353 0.330 20 0 DCADMM O=C(NCCCNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000826436681 608409398 /nfs/dbraw/zinc/40/93/98/608409398.db2.gz DDFGJDWGYHFIMA-UHFFFAOYSA-N -1 1 324.348 0.889 20 0 DCADMM O=C(NCCCNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000826436681 608409400 /nfs/dbraw/zinc/40/94/00/608409400.db2.gz DDFGJDWGYHFIMA-UHFFFAOYSA-N -1 1 324.348 0.889 20 0 DCADMM CC(C)(C)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1=O ZINC000824093688 608427110 /nfs/dbraw/zinc/42/71/10/608427110.db2.gz JSNVMURFQWQXML-QMMMGPOBSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(C)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC000824093688 608427112 /nfs/dbraw/zinc/42/71/12/608427112.db2.gz JSNVMURFQWQXML-QMMMGPOBSA-N -1 1 302.342 0.468 20 0 DCADMM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1n1ccnc1 ZINC000824961946 608431769 /nfs/dbraw/zinc/43/17/69/608431769.db2.gz LMAXKNLGNDBPMQ-PWSUYJOCSA-N -1 1 311.353 0.941 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC000823973210 608436639 /nfs/dbraw/zinc/43/66/39/608436639.db2.gz JFMNKLPIMLLVIQ-WCBMZHEXSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC000823973210 608436641 /nfs/dbraw/zinc/43/66/41/608436641.db2.gz JFMNKLPIMLLVIQ-WCBMZHEXSA-N -1 1 302.342 0.326 20 0 DCADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](O)C(F)(F)F ZINC000825148295 608438721 /nfs/dbraw/zinc/43/87/21/608438721.db2.gz PFRCMIITQVPZCP-XRGYYRRGSA-N -1 1 303.248 0.770 20 0 DCADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](O)C(F)(F)F ZINC000825148295 608438722 /nfs/dbraw/zinc/43/87/22/608438722.db2.gz PFRCMIITQVPZCP-XRGYYRRGSA-N -1 1 303.248 0.770 20 0 DCADMM OCc1nnc(Sc2cccc(-c3nnn[n-]3)n2)n1C1CC1 ZINC000826510932 608441191 /nfs/dbraw/zinc/44/11/91/608441191.db2.gz SCWKBDUSJVEZLH-UHFFFAOYSA-N -1 1 316.350 0.832 20 0 DCADMM OCc1nnc(Sc2cccc(-c3nn[n-]n3)n2)n1C1CC1 ZINC000826510932 608441192 /nfs/dbraw/zinc/44/11/92/608441192.db2.gz SCWKBDUSJVEZLH-UHFFFAOYSA-N -1 1 316.350 0.832 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC2(CC1)OCCO2 ZINC000826280801 608542623 /nfs/dbraw/zinc/54/26/23/608542623.db2.gz QPXMGZLAZZNZPH-UHFFFAOYSA-N -1 1 302.338 0.913 20 0 DCADMM CC(=O)N[C@@H]1CCCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC000823989359 608543818 /nfs/dbraw/zinc/54/38/18/608543818.db2.gz VBBMISBGRZQINW-LLVKDONJSA-N -1 1 301.354 0.675 20 0 DCADMM OCC[C@@H]1COCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826508838 608585106 /nfs/dbraw/zinc/58/51/06/608585106.db2.gz CYSOZYOPBCMQMB-MRVPVSSYSA-N -1 1 310.745 0.503 20 0 DCADMM OCC[C@@H]1COCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826508838 608585107 /nfs/dbraw/zinc/58/51/07/608585107.db2.gz CYSOZYOPBCMQMB-MRVPVSSYSA-N -1 1 310.745 0.503 20 0 DCADMM C[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000824892626 608759567 /nfs/dbraw/zinc/75/95/67/608759567.db2.gz KYQDLJYOGOXYBE-DTWKUNHWSA-N -1 1 324.366 0.108 20 0 DCADMM C[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000824892626 608759570 /nfs/dbraw/zinc/75/95/70/608759570.db2.gz KYQDLJYOGOXYBE-DTWKUNHWSA-N -1 1 324.366 0.108 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1c(F)cccc1F ZINC000826425243 608893811 /nfs/dbraw/zinc/89/38/11/608893811.db2.gz VWRSAKFHHRAPFY-UHFFFAOYSA-N -1 1 305.248 0.980 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1c(F)cccc1F ZINC000826425243 608893815 /nfs/dbraw/zinc/89/38/15/608893815.db2.gz VWRSAKFHHRAPFY-UHFFFAOYSA-N -1 1 305.248 0.980 20 0 DCADMM CCCCCN(CC(N)=O)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825271969 609170277 /nfs/dbraw/zinc/17/02/77/609170277.db2.gz SIDIFJGLWNZOOW-UHFFFAOYSA-N -1 1 317.353 0.379 20 0 DCADMM CCCCCN(CC(N)=O)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825271969 609170278 /nfs/dbraw/zinc/17/02/78/609170278.db2.gz SIDIFJGLWNZOOW-UHFFFAOYSA-N -1 1 317.353 0.379 20 0 DCADMM CN(C)C(=O)CC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825840691 609311151 /nfs/dbraw/zinc/31/11/51/609311151.db2.gz PWAKWTQCPRPTLM-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(C)C(=O)CC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825840691 609311152 /nfs/dbraw/zinc/31/11/52/609311152.db2.gz PWAKWTQCPRPTLM-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM C[C@H](O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824678839 609312021 /nfs/dbraw/zinc/31/20/21/609312021.db2.gz PLYATPLMZFHHFF-ZETCQYMHSA-N -1 1 317.284 0.511 20 0 DCADMM O=C(CNc1c2ccccc2nnc1-c1nnn[n-]1)NCC1CC1 ZINC000826412817 609324500 /nfs/dbraw/zinc/32/45/00/609324500.db2.gz FCKOEXKVCVOWGC-UHFFFAOYSA-N -1 1 324.348 0.748 20 0 DCADMM O=C(CNc1c2ccccc2nnc1-c1nn[n-]n1)NCC1CC1 ZINC000826412817 609324502 /nfs/dbraw/zinc/32/45/02/609324502.db2.gz FCKOEXKVCVOWGC-UHFFFAOYSA-N -1 1 324.348 0.748 20 0 DCADMM Cc1onc(CC(=O)N2CCOCC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826345717 609471218 /nfs/dbraw/zinc/47/12/18/609471218.db2.gz SAEJQGJTCIXWFB-QMMMGPOBSA-N -1 1 306.326 0.343 20 0 DCADMM Cc1onc(CC(=O)N2CCOCC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826345717 609471220 /nfs/dbraw/zinc/47/12/20/609471220.db2.gz SAEJQGJTCIXWFB-QMMMGPOBSA-N -1 1 306.326 0.343 20 0 DCADMM O=S(=O)([N-]C[C@H]1C[C@@H](O)C1)c1nc[nH]c1Br ZINC000867564526 667468802 /nfs/dbraw/zinc/46/88/02/667468802.db2.gz KQKPFMXGSYILNZ-OLQVQODUSA-N -1 1 310.173 0.221 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)c2ccccc2)nc1=O ZINC001027728407 660661538 /nfs/dbraw/zinc/66/15/38/660661538.db2.gz ZVLNWIFTGLAJRV-CYBMUJFWSA-N -1 1 315.377 0.503 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@H]2CC=CCC2)nc1=O ZINC001027749191 660690085 /nfs/dbraw/zinc/69/00/85/660690085.db2.gz SHWZFUAZIRFISP-QWHCGFSZSA-N -1 1 319.409 0.545 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)/C=C\C2CC2)CCO1 ZINC000979255448 660696354 /nfs/dbraw/zinc/69/63/54/660696354.db2.gz MVTJDFJLNNQWGF-HDTYDHQFSA-N -1 1 321.381 0.182 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)C2CC=CC2)nc1=O ZINC001027797568 660745742 /nfs/dbraw/zinc/74/57/42/660745742.db2.gz YNAVCYYSEXVKQL-GFCCVEGCSA-N -1 1 305.382 0.155 20 0 DCADMM CCC[C@H](NC(=O)c1cc2c(cc1O)OCO2)c1nn[n-]n1 ZINC000436581761 660794011 /nfs/dbraw/zinc/79/40/11/660794011.db2.gz BWDWPPNKSUZVOL-QMMMGPOBSA-N -1 1 305.294 0.905 20 0 DCADMM C[C@@H](C(=O)N(C)C)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001027844687 660829178 /nfs/dbraw/zinc/82/91/78/660829178.db2.gz VVTMCDYQJFSJKH-RYUDHWBXSA-N -1 1 320.393 0.458 20 0 DCADMM Cc1cocc1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC000980174462 660885830 /nfs/dbraw/zinc/88/58/30/660885830.db2.gz AMAQEAZPZFVGSK-MGCOHNPYSA-N -1 1 303.322 0.645 20 0 DCADMM O=C(NC1CCC(NC(=O)c2cnn[nH]2)CC1)c1ccsn1 ZINC000980308790 660911004 /nfs/dbraw/zinc/91/10/04/660911004.db2.gz LIMURHFRMPVAAF-UHFFFAOYSA-N -1 1 320.378 0.732 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@H](NCc3cnon3)C2)c1[O-] ZINC000981016664 661063798 /nfs/dbraw/zinc/06/37/98/661063798.db2.gz AXILQYCVZYVHML-VHSXEESVSA-N -1 1 320.353 0.638 20 0 DCADMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)[C@@H]1CCCOC1 ZINC000869383679 667652640 /nfs/dbraw/zinc/65/26/40/667652640.db2.gz VRORQEHIULLRLO-MRVPVSSYSA-N -1 1 311.256 0.594 20 0 DCADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001028124494 661219239 /nfs/dbraw/zinc/21/92/39/661219239.db2.gz DXZSMHNXDYRDBZ-JHJVBQTASA-N -1 1 321.425 0.625 20 0 DCADMM COC(=O)[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)CCOC(C)C ZINC000885770237 667700625 /nfs/dbraw/zinc/70/06/25/667700625.db2.gz ZUSKTMSCSXOJQX-RYUDHWBXSA-N -1 1 323.411 0.442 20 0 DCADMM Cc1c(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)ccn1C ZINC000939091396 665485275 /nfs/dbraw/zinc/48/52/75/665485275.db2.gz HYZQMCSORCWPJN-BXKDBHETSA-N -1 1 318.381 0.408 20 0 DCADMM CC(C)c1ocnc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970423194 657492984 /nfs/dbraw/zinc/49/29/84/657492984.db2.gz QNDYAHTVKKXRGP-SECBINFHSA-N -1 1 320.353 0.626 20 0 DCADMM CC(=O)N1CSC[C@@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891624854 657553174 /nfs/dbraw/zinc/55/31/74/657553174.db2.gz SOVVSNZSBPVSTI-LLVKDONJSA-N -1 1 322.390 0.921 20 0 DCADMM 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C[C@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)C1(C)CC1 ZINC001574824417 1163762368 /nfs/dbraw/zinc/76/23/68/1163762368.db2.gz SITNHPASIACBRZ-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC1(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574862812 1163775841 /nfs/dbraw/zinc/77/58/41/1163775841.db2.gz VTSSSYJIVFUMKR-DTWKUNHWSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC12CC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574863409 1163776566 /nfs/dbraw/zinc/77/65/66/1163776566.db2.gz YMJFGRWLVYJHCP-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC12CC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574863409 1163776574 /nfs/dbraw/zinc/77/65/74/1163776574.db2.gz YMJFGRWLVYJHCP-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](O)C[C@@H]1COCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001575479521 1164029887 /nfs/dbraw/zinc/02/98/87/1164029887.db2.gz DIMSDYGSKPUPOF-PSASIEDQSA-N -1 1 323.378 0.540 20 0 DCADMM C[C@@H]1C[C@H](C(=O)NCCCNC(=O)c2ncccc2[O-])CO1 ZINC001575795233 1164154883 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0.867 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576589941 1164406468 /nfs/dbraw/zinc/40/64/68/1164406468.db2.gz QDYKMOHCOVAODD-WPRPVWTQSA-N -1 1 318.385 0.928 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576589941 1164406471 /nfs/dbraw/zinc/40/64/71/1164406471.db2.gz QDYKMOHCOVAODD-WPRPVWTQSA-N -1 1 318.385 0.928 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576603814 1164410003 /nfs/dbraw/zinc/41/00/03/1164410003.db2.gz AKZMAGNMTDBETF-DTWKUNHWSA-N -1 1 304.358 0.041 20 0 DCADMM CC[C@H](C)CC(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576631566 1164418599 /nfs/dbraw/zinc/41/85/99/1164418599.db2.gz FEQXDVUPGSWXGX-VHSXEESVSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576778456 1164461218 /nfs/dbraw/zinc/46/12/18/1164461218.db2.gz VDLQGLLMZYJJLD-DTWKUNHWSA-N -1 1 322.348 0.133 20 0 DCADMM CC[C@H](CNC(=O)CC1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001576803886 1164469935 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CCCC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001577187987 1164627926 /nfs/dbraw/zinc/62/79/26/1164627926.db2.gz OSMJFVIKMWJIOV-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001577187987 1164627929 /nfs/dbraw/zinc/62/79/29/1164627929.db2.gz OSMJFVIKMWJIOV-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCOC(=O)[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C(C)C ZINC001578240690 1164960822 /nfs/dbraw/zinc/96/08/22/1164960822.db2.gz AMLPKSWEFZKMPD-MRVPVSSYSA-N -1 1 307.314 0.364 20 0 DCADMM CCOC(=O)[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C(C)C ZINC001578240690 1164960826 /nfs/dbraw/zinc/96/08/26/1164960826.db2.gz AMLPKSWEFZKMPD-MRVPVSSYSA-N -1 1 307.314 0.364 20 0 DCADMM CCOC(=O)[C@H](COC)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001578250968 1164962450 /nfs/dbraw/zinc/96/24/50/1164962450.db2.gz RVHHGZNNHYSXAU-VIFPVBQESA-N -1 1 323.309 0.076 20 0 DCADMM CCOC(=O)[C@H](COC)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001578250968 1164962455 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CCc1nc(NC[C@@H]2CCCN2C(C)=O)cc(-c2nn[n-]n2)n1 ZINC001578654868 1165083149 /nfs/dbraw/zinc/08/31/49/1165083149.db2.gz BSLNSCGJSSXKCS-JTQLQIEISA-N -1 1 316.369 0.642 20 0 DCADMM CCc1nc(NCc2nc(N(C)C)n[nH]2)cc(-c2nnn[n-]2)n1 ZINC001578669563 1165083886 /nfs/dbraw/zinc/08/38/86/1165083886.db2.gz REDINQDXHDVURS-UHFFFAOYSA-N -1 1 315.345 0.015 20 0 DCADMM CCc1nc(NCc2nc(N(C)C)n[nH]2)cc(-c2nn[n-]n2)n1 ZINC001578669563 1165083890 /nfs/dbraw/zinc/08/38/90/1165083890.db2.gz REDINQDXHDVURS-UHFFFAOYSA-N -1 1 315.345 0.015 20 0 DCADMM CCc1nc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001578672685 1165085407 /nfs/dbraw/zinc/08/54/07/1165085407.db2.gz SARFALVPKSNWHL-HTQZYQBOSA-N -1 1 323.382 0.207 20 0 DCADMM CCc1nc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001578672685 1165085416 /nfs/dbraw/zinc/08/54/16/1165085416.db2.gz SARFALVPKSNWHL-HTQZYQBOSA-N -1 1 323.382 0.207 20 0 DCADMM CCn1ncc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001578821423 1165129485 /nfs/dbraw/zinc/12/94/85/1165129485.db2.gz JTQJSLPWOFJFSR-UHFFFAOYSA-N -1 1 314.313 0.195 20 0 DCADMM CCn1ncc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001578821423 1165129489 /nfs/dbraw/zinc/12/94/89/1165129489.db2.gz JTQJSLPWOFJFSR-UHFFFAOYSA-N -1 1 314.313 0.195 20 0 DCADMM CN(CCNC(=O)CCC1CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001579175286 1165230250 /nfs/dbraw/zinc/23/02/50/1165230250.db2.gz HTJLYWGSXGARLB-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)CCC1CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001579175286 1165230252 /nfs/dbraw/zinc/23/02/52/1165230252.db2.gz HTJLYWGSXGARLB-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)CC(C)(C)C ZINC001579211258 1165238217 /nfs/dbraw/zinc/23/82/17/1165238217.db2.gz UMZYRYPFLQEXEW-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)CC(C)(C)C ZINC001579211258 1165238224 /nfs/dbraw/zinc/23/82/24/1165238224.db2.gz UMZYRYPFLQEXEW-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)c1ccco1 ZINC001579227206 1165244582 /nfs/dbraw/zinc/24/45/82/1165244582.db2.gz VYUGUYOGSGLZCU-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)c1ccco1 ZINC001579227206 1165244588 /nfs/dbraw/zinc/24/45/88/1165244588.db2.gz VYUGUYOGSGLZCU-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)C1(C)CCC1 ZINC001579226107 1165245252 /nfs/dbraw/zinc/24/52/52/1165245252.db2.gz KYGMZPJYYPGQIC-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)C1(C)CCC1 ZINC001579226107 1165245262 /nfs/dbraw/zinc/24/52/62/1165245262.db2.gz KYGMZPJYYPGQIC-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(Cc1ccns1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001579260589 1165253269 /nfs/dbraw/zinc/25/32/69/1165253269.db2.gz BMDYHLUJZMXIJM-UHFFFAOYSA-N -1 1 315.362 0.919 20 0 DCADMM CN(Cc1ccns1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001579260589 1165253276 /nfs/dbraw/zinc/25/32/76/1165253276.db2.gz BMDYHLUJZMXIJM-UHFFFAOYSA-N -1 1 315.362 0.919 20 0 DCADMM CN1C(=O)c2ccccc2[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001579312199 1165269611 /nfs/dbraw/zinc/26/96/11/1165269611.db2.gz SWNXSIYHAZDWBP-LLVKDONJSA-N -1 1 322.332 0.317 20 0 DCADMM CNC(=O)[C@H](C)NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001579383671 1165294054 /nfs/dbraw/zinc/29/40/54/1165294054.db2.gz VFYSIUZLQFAKSS-ZETCQYMHSA-N -1 1 313.321 0.212 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C1 ZINC001579446790 1165311717 /nfs/dbraw/zinc/31/17/17/1165311717.db2.gz PZUAFDWFFBMXDY-KYXWUPHJSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001579446790 1165311721 /nfs/dbraw/zinc/31/17/21/1165311721.db2.gz PZUAFDWFFBMXDY-KYXWUPHJSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)Cc1occc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001579452426 1165315498 /nfs/dbraw/zinc/31/54/98/1165315498.db2.gz WQWFVLYLUCQZKN-UHFFFAOYSA-N -1 1 317.265 0.151 20 0 DCADMM CO[C@H](Cn1cncc(-c2nn[n-]n2)c1=O)c1ccc(F)cc1 ZINC001579595957 1165355877 /nfs/dbraw/zinc/35/58/77/1165355877.db2.gz MBWCBUSTMJIOTK-GFCCVEGCSA-N -1 1 316.296 0.950 20 0 DCADMM CO[C@@H]1COCC[C@H]1CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001579618156 1165362360 /nfs/dbraw/zinc/36/23/60/1165362360.db2.gz IYQCHMCBCWEZBV-DTWKUNHWSA-N -1 1 321.341 0.278 20 0 DCADMM COCC1(O)CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001579746777 1165386497 /nfs/dbraw/zinc/38/64/97/1165386497.db2.gz HSEZHKASSSCWKW-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM CO[C@@H]1CCCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001579850267 1165411893 /nfs/dbraw/zinc/41/18/93/1165411893.db2.gz PAEMXLRIVWHZHN-NXEZZACHSA-N -1 1 320.357 0.679 20 0 DCADMM CO[C@@H]1CCCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001579850267 1165411895 /nfs/dbraw/zinc/41/18/95/1165411895.db2.gz PAEMXLRIVWHZHN-NXEZZACHSA-N -1 1 320.357 0.679 20 0 DCADMM CO[C@@H]1CCC[C@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001579849861 1165412137 /nfs/dbraw/zinc/41/21/37/1165412137.db2.gz AZZKFXUXGMUTIR-PSASIEDQSA-N -1 1 306.326 0.389 20 0 DCADMM CO[C@@H]1CCC[C@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001579849861 1165412141 /nfs/dbraw/zinc/41/21/41/1165412141.db2.gz AZZKFXUXGMUTIR-PSASIEDQSA-N -1 1 306.326 0.389 20 0 DCADMM COc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)nn1C ZINC001579890504 1165425047 /nfs/dbraw/zinc/42/50/47/1165425047.db2.gz LZIPVFXPMCEMLD-UHFFFAOYSA-N -1 1 314.309 0.280 20 0 DCADMM COc1ccc([C@H](O)CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001579993436 1165464659 /nfs/dbraw/zinc/46/46/59/1165464659.db2.gz WXDJCKPYABJTAO-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccc([C@H](O)CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001579993436 1165464665 /nfs/dbraw/zinc/46/46/65/1165464665.db2.gz WXDJCKPYABJTAO-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccc(CNc2ncncc2-c2nn[n-]n2)c(OC)n1 ZINC001580029935 1165477535 /nfs/dbraw/zinc/47/75/35/1165477535.db2.gz ASYHFTJRMPXCND-UHFFFAOYSA-N -1 1 314.309 0.681 20 0 DCADMM C[S@@](=O)CCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001580172058 1165527639 /nfs/dbraw/zinc/52/76/39/1165527639.db2.gz JFMYQUITEGLJLQ-JOCHJYFZSA-N -1 1 318.362 0.456 20 0 DCADMM C[S@](=O)CCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001580172059 1165528788 /nfs/dbraw/zinc/52/87/88/1165528788.db2.gz JFMYQUITEGLJLQ-QFIPXVFZSA-N -1 1 318.362 0.456 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccoc1 ZINC001580285259 1165558898 /nfs/dbraw/zinc/55/88/98/1165558898.db2.gz NRRXYFAHYLDNDM-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccoc1 ZINC001580285259 1165558903 /nfs/dbraw/zinc/55/89/03/1165558903.db2.gz NRRXYFAHYLDNDM-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1cccs1 ZINC001580308644 1165566186 /nfs/dbraw/zinc/56/61/86/1165566186.db2.gz PIMJDNFFIGHEEV-ZCFIWIBFSA-N -1 1 319.350 0.901 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC1CC1 ZINC001580429467 1165601323 /nfs/dbraw/zinc/60/13/23/1165601323.db2.gz IELOLEAPVIWAHD-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC1CC1 ZINC001580429467 1165601326 /nfs/dbraw/zinc/60/13/26/1165601326.db2.gz IELOLEAPVIWAHD-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001580452572 1165605291 /nfs/dbraw/zinc/60/52/91/1165605291.db2.gz TZACSVSITRTYOG-AEJSXWLSSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001580452572 1165605297 /nfs/dbraw/zinc/60/52/97/1165605297.db2.gz TZACSVSITRTYOG-AEJSXWLSSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001580452566 1165605629 /nfs/dbraw/zinc/60/56/29/1165605629.db2.gz SWKMAGUVIXTUJW-AEJSXWLSSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001580452566 1165605635 /nfs/dbraw/zinc/60/56/35/1165605635.db2.gz SWKMAGUVIXTUJW-AEJSXWLSSA-N -1 1 314.353 0.008 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@@H](O)C1(C)C ZINC001580598497 1165649779 /nfs/dbraw/zinc/64/97/79/1165649779.db2.gz XZGQTFLGAUTLOY-SECBINFHSA-N -1 1 318.337 0.261 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001580601195 1165651658 /nfs/dbraw/zinc/65/16/58/1165651658.db2.gz JQFWZEKEXHBBJS-NQMVMOMDSA-N -1 1 318.337 0.571 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H](C)C[C@H](C)O ZINC001580604323 1165653149 /nfs/dbraw/zinc/65/31/49/1165653149.db2.gz QIADICLENQHEOF-CBAPKCEASA-N -1 1 320.353 0.413 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H](CO)C(C)C ZINC001580604296 1165653222 /nfs/dbraw/zinc/65/32/22/1165653222.db2.gz PYSHBBZWEBWAQW-SECBINFHSA-N -1 1 320.353 0.270 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)[C@H]2C[C@@H]2C)n1 ZINC001580639606 1165670320 /nfs/dbraw/zinc/67/03/20/1165670320.db2.gz JXZZFOWMOUIYLK-WPRPVWTQSA-N -1 1 316.369 0.174 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)[C@H]2C[C@@H]2C)n1 ZINC001580639606 1165670323 /nfs/dbraw/zinc/67/03/23/1165670323.db2.gz JXZZFOWMOUIYLK-WPRPVWTQSA-N -1 1 316.369 0.174 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)C2CCC2)n1 ZINC001580640135 1165670719 /nfs/dbraw/zinc/67/07/19/1165670719.db2.gz RREALGZAYKEUBU-UHFFFAOYSA-N -1 1 316.369 0.318 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)C2CCC2)n1 ZINC001580640135 1165670727 /nfs/dbraw/zinc/67/07/27/1165670727.db2.gz RREALGZAYKEUBU-UHFFFAOYSA-N -1 1 316.369 0.318 20 0 DCADMM Cc1ccc(F)c(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)c1F ZINC001581204963 1165797314 /nfs/dbraw/zinc/79/73/14/1165797314.db2.gz OWELGZWVMXIJNU-UHFFFAOYSA-N -1 1 320.259 0.764 20 0 DCADMM Cc1nc(CNc2ncncc2-c2nn[n-]n2)sc1C(N)=O ZINC001581454440 1165831176 /nfs/dbraw/zinc/83/11/76/1165831176.db2.gz ZSZAQMPALCULEI-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cc1nc(NC[C@@H]2CCN(CC(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001581517827 1165837368 /nfs/dbraw/zinc/83/73/68/1165837368.db2.gz IAGZRIAZZCYNER-VIFPVBQESA-N -1 1 324.339 0.964 20 0 DCADMM Cc1nc(NC[C@@H]2CCN(CC(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001581517827 1165837374 /nfs/dbraw/zinc/83/73/74/1165837374.db2.gz IAGZRIAZZCYNER-VIFPVBQESA-N -1 1 324.339 0.964 20 0 DCADMM Cc1nnc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)o1 ZINC001581609608 1165848646 /nfs/dbraw/zinc/84/86/46/1165848646.db2.gz LVHDVGRMCSATGC-UHFFFAOYSA-N -1 1 321.247 0.766 20 0 DCADMM Cc1nnc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)o1 ZINC001581609608 1165848656 /nfs/dbraw/zinc/84/86/56/1165848656.db2.gz LVHDVGRMCSATGC-UHFFFAOYSA-N -1 1 321.247 0.766 20 0 DCADMM Cc1nn(CCO)c(C)c1CNc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001581604059 1165849188 /nfs/dbraw/zinc/84/91/88/1165849188.db2.gz UBDYSYNTZCHVRL-UHFFFAOYSA-N -1 1 317.357 0.316 20 0 DCADMM Cc1nn(CCO)c(C)c1CNc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001581604059 1165849199 /nfs/dbraw/zinc/84/91/99/1165849199.db2.gz UBDYSYNTZCHVRL-UHFFFAOYSA-N -1 1 317.357 0.316 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1nccc(N)n1 ZINC001581727052 1165860969 /nfs/dbraw/zinc/86/09/69/1165860969.db2.gz GUPNENQCTUSFGH-ZCFIWIBFSA-N -1 1 314.309 0.631 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1nccc(N)n1 ZINC001581727052 1165860977 /nfs/dbraw/zinc/86/09/77/1165860977.db2.gz GUPNENQCTUSFGH-ZCFIWIBFSA-N -1 1 314.309 0.631 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cn(C)cn1 ZINC001581727069 1165861602 /nfs/dbraw/zinc/86/16/02/1165861602.db2.gz HOSMGUAVYKDPJE-UHFFFAOYSA-N -1 1 301.310 0.474 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cn(C)cn1 ZINC001581727069 1165861607 /nfs/dbraw/zinc/86/16/07/1165861607.db2.gz HOSMGUAVYKDPJE-UHFFFAOYSA-N -1 1 301.310 0.474 20 0 DCADMM Cc1onc(CC(=O)Nc2ccc(CO)cc2)c1-c1nnn[n-]1 ZINC001581739759 1165863663 /nfs/dbraw/zinc/86/36/63/1165863663.db2.gz PUQCFYCBCNZKRP-UHFFFAOYSA-N -1 1 314.305 0.837 20 0 DCADMM Cc1onc(CC(=O)Nc2ccc(CO)cc2)c1-c1nn[n-]n1 ZINC001581739759 1165863668 /nfs/dbraw/zinc/86/36/68/1165863668.db2.gz PUQCFYCBCNZKRP-UHFFFAOYSA-N -1 1 314.305 0.837 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCn3ccnc32)n1 ZINC001581754420 1165868160 /nfs/dbraw/zinc/86/81/60/1165868160.db2.gz SORWXJJZKKSILY-QMMMGPOBSA-N -1 1 314.313 0.063 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCn3ccnc32)n1 ZINC001581754420 1165868165 /nfs/dbraw/zinc/86/81/65/1165868165.db2.gz SORWXJJZKKSILY-QMMMGPOBSA-N -1 1 314.313 0.063 20 0 DCADMM Cn1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c(Cl)n1 ZINC001581762239 1165870933 /nfs/dbraw/zinc/87/09/33/1165870933.db2.gz PJBWDIILQFWQAV-UHFFFAOYSA-N -1 1 324.757 0.640 20 0 DCADMM Cn1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c(Cl)n1 ZINC001581762239 1165870938 /nfs/dbraw/zinc/87/09/38/1165870938.db2.gz PJBWDIILQFWQAV-UHFFFAOYSA-N -1 1 324.757 0.640 20 0 DCADMM Cn1cc(CCC(=O)NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001581768495 1165871762 /nfs/dbraw/zinc/87/17/62/1165871762.db2.gz ICGOENTWRHPROT-UHFFFAOYSA-N -1 1 317.378 0.911 20 0 DCADMM Cn1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1=O ZINC001581785313 1165875945 /nfs/dbraw/zinc/87/59/45/1165875945.db2.gz LLQBEIGNSXNLRO-UHFFFAOYSA-N -1 1 316.346 0.557 20 0 DCADMM Cn1ccc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)n1 ZINC001581790784 1165876708 /nfs/dbraw/zinc/87/67/08/1165876708.db2.gz WOJDJMLXBNZDIJ-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1ccc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)n1 ZINC001581790784 1165876716 /nfs/dbraw/zinc/87/67/16/1165876716.db2.gz WOJDJMLXBNZDIJ-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1cnc2c1nccc2C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581808944 1165880432 /nfs/dbraw/zinc/88/04/32/1165880432.db2.gz YAYIJPVJIRIJQZ-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1cnc2c1nccc2C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581808944 1165880440 /nfs/dbraw/zinc/88/04/40/1165880440.db2.gz YAYIJPVJIRIJQZ-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1cnc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001581808281 1165880543 /nfs/dbraw/zinc/88/05/43/1165880543.db2.gz UQRPRZDLYWIVIW-UHFFFAOYSA-N -1 1 318.366 0.661 20 0 DCADMM Cn1nc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)c2ccccc21 ZINC001581823847 1165884089 /nfs/dbraw/zinc/88/40/89/1165884089.db2.gz WQFPTFZYUAGMSB-UHFFFAOYSA-N -1 1 323.320 0.658 20 0 DCADMM NC(=O)NC1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001581897067 1165905883 /nfs/dbraw/zinc/90/58/83/1165905883.db2.gz YWSLYOLHCMOZAZ-UHFFFAOYSA-N -1 1 321.366 0.201 20 0 DCADMM NC(=O)[C@@H]1Cc2ccccc2CN1c1ccnc(-c2nnn[n-]2)c1 ZINC001581900771 1165906890 /nfs/dbraw/zinc/90/68/90/1165906890.db2.gz VWLMYDXCKZSTDB-AWEZNQCLSA-N -1 1 321.344 0.678 20 0 DCADMM NC(=O)[C@@H]1Cc2ccccc2CN1c1ccnc(-c2nn[n-]n2)c1 ZINC001581900771 1165906897 /nfs/dbraw/zinc/90/68/97/1165906897.db2.gz VWLMYDXCKZSTDB-AWEZNQCLSA-N -1 1 321.344 0.678 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc2ccncc21 ZINC001581909132 1165909707 /nfs/dbraw/zinc/90/97/07/1165909707.db2.gz QLWYPTGZMCCNRH-UHFFFAOYSA-N -1 1 306.289 0.882 20 0 DCADMM NC(=O)c1cccc(CSc2ncncc2-c2nnn[n-]2)n1 ZINC001581905339 1165910685 /nfs/dbraw/zinc/91/06/85/1165910685.db2.gz CQGRXDZUWNYKMO-UHFFFAOYSA-N -1 1 314.334 0.443 20 0 DCADMM NC(=O)c1cccc(CSc2ncncc2-c2nn[n-]n2)n1 ZINC001581905339 1165910688 /nfs/dbraw/zinc/91/06/88/1165910688.db2.gz CQGRXDZUWNYKMO-UHFFFAOYSA-N -1 1 314.334 0.443 20 0 DCADMM O=C(C1CC1)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001581921452 1165914268 /nfs/dbraw/zinc/91/42/68/1165914268.db2.gz CLKHKOKGCADGIU-UHFFFAOYSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001581921452 1165914272 /nfs/dbraw/zinc/91/42/72/1165914272.db2.gz CLKHKOKGCADGIU-UHFFFAOYSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001581922892 1165914863 /nfs/dbraw/zinc/91/48/63/1165914863.db2.gz MJBKARVTBYIMHN-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C1CC1)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001581922892 1165914870 /nfs/dbraw/zinc/91/48/70/1165914870.db2.gz MJBKARVTBYIMHN-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C[C@@H](O)c1cccc(F)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001581959650 1165923637 /nfs/dbraw/zinc/92/36/37/1165923637.db2.gz LRFUUNGXOJVDKE-SNVBAGLBSA-N -1 1 317.284 0.791 20 0 DCADMM O=C(C[C@@H](O)c1cccc(F)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001581959650 1165923643 /nfs/dbraw/zinc/92/36/43/1165923643.db2.gz LRFUUNGXOJVDKE-SNVBAGLBSA-N -1 1 317.284 0.791 20 0 DCADMM O=C(CCCF)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001582042607 1165942543 /nfs/dbraw/zinc/94/25/43/1165942543.db2.gz QOGIFSPLFULFKC-VIFPVBQESA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CCCF)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001582042607 1165942551 /nfs/dbraw/zinc/94/25/51/1165942551.db2.gz QOGIFSPLFULFKC-VIFPVBQESA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CCN1CCCC1=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582052488 1165946150 /nfs/dbraw/zinc/94/61/50/1165946150.db2.gz NEWKZSLGNQGYFR-UHFFFAOYSA-N -1 1 320.378 0.557 20 0 DCADMM O=C(COc1ccc(F)cc1F)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582128871 1165963192 /nfs/dbraw/zinc/96/31/92/1165963192.db2.gz IPBCJVJQFOQGMG-UHFFFAOYSA-N -1 1 321.247 0.886 20 0 DCADMM O=C(Cc1ccccc1O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001582150684 1165970926 /nfs/dbraw/zinc/97/09/26/1165970926.db2.gz OTSZFKOQKCQZLI-UHFFFAOYSA-N -1 1 316.346 0.888 20 0 DCADMM O=C(Cc1ccccc1O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001582150684 1165970933 /nfs/dbraw/zinc/97/09/33/1165970933.db2.gz OTSZFKOQKCQZLI-UHFFFAOYSA-N -1 1 316.346 0.888 20 0 DCADMM O=C(N[C@@H](CO)[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001582230665 1165986079 /nfs/dbraw/zinc/98/60/79/1165986079.db2.gz JFLHJPDYGGXJAY-IUCAKERBSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(N[C@@H](CO)[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001582230665 1165986083 /nfs/dbraw/zinc/98/60/83/1165986083.db2.gz JFLHJPDYGGXJAY-IUCAKERBSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001582522380 1166031230 /nfs/dbraw/zinc/03/12/30/1166031230.db2.gz XJUGJGVSTMEART-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001582522380 1166031236 /nfs/dbraw/zinc/03/12/36/1166031236.db2.gz XJUGJGVSTMEART-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001582529005 1166032798 /nfs/dbraw/zinc/03/27/98/1166032798.db2.gz XSLLLXLUUVMNPQ-GARJFASQSA-N -1 1 316.369 0.401 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)C1(C2CCC2)CCC1 ZINC001582528281 1166032839 /nfs/dbraw/zinc/03/28/39/1166032839.db2.gz NCUPYDRAEAQGRP-UHFFFAOYSA-N -1 1 316.369 0.545 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCn2ccnc2C1 ZINC001582554940 1166042519 /nfs/dbraw/zinc/04/25/19/1166042519.db2.gz YEOOXEMGZWBMAT-LLVKDONJSA-N -1 1 324.348 0.337 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ncc(Cl)cn1 ZINC001582561327 1166046106 /nfs/dbraw/zinc/04/61/06/1166046106.db2.gz ZNTCEOLFVRMAQN-UHFFFAOYSA-N -1 1 322.741 0.697 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ncc(Cl)cn1 ZINC001582561327 1166046109 /nfs/dbraw/zinc/04/61/09/1166046109.db2.gz ZNTCEOLFVRMAQN-UHFFFAOYSA-N -1 1 322.741 0.697 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001582614370 1166052824 /nfs/dbraw/zinc/05/28/24/1166052824.db2.gz VIRHVLUZSQOMFM-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001582614370 1166052829 /nfs/dbraw/zinc/05/28/29/1166052829.db2.gz VIRHVLUZSQOMFM-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@]1(O)CCSC1 ZINC001582629493 1166054532 /nfs/dbraw/zinc/05/45/32/1166054532.db2.gz QSRPOHSGMVIAJE-GFCCVEGCSA-N -1 1 321.366 0.274 20 0 DCADMM O=C(Nc1ccc(CO)c(CO)c1)c1coc(-c2nnn[n-]2)c1 ZINC001582638883 1166058067 /nfs/dbraw/zinc/05/80/67/1166058067.db2.gz IRMREEHQAPQNRT-UHFFFAOYSA-N -1 1 315.289 0.697 20 0 DCADMM O=C(Nc1ccc(CO)c(CO)c1)c1coc(-c2nn[n-]n2)c1 ZINC001582638883 1166058073 /nfs/dbraw/zinc/05/80/73/1166058073.db2.gz IRMREEHQAPQNRT-UHFFFAOYSA-N -1 1 315.289 0.697 20 0 DCADMM O=C(Nn1cccn1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001582654321 1166062356 /nfs/dbraw/zinc/06/23/56/1166062356.db2.gz FAONPNCWWYMCOK-UHFFFAOYSA-N -1 1 324.226 0.861 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001582701495 1166068249 /nfs/dbraw/zinc/06/82/49/1166068249.db2.gz NGOLLWZHIRLTDF-XHDPSFHLSA-N -1 1 314.349 0.496 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001582701495 1166068253 /nfs/dbraw/zinc/06/82/53/1166068253.db2.gz NGOLLWZHIRLTDF-XHDPSFHLSA-N -1 1 314.349 0.496 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2ncncc2C1 ZINC001582701301 1166069417 /nfs/dbraw/zinc/06/94/17/1166069417.db2.gz JVTRBWZRENEFLN-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2ncncc2C1 ZINC001582701301 1166069428 /nfs/dbraw/zinc/06/94/28/1166069428.db2.gz JVTRBWZRENEFLN-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM O=C1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1c1ccccc1 ZINC001582759613 1166076131 /nfs/dbraw/zinc/07/61/31/1166076131.db2.gz DUYRUSFCNIKNKF-SNVBAGLBSA-N -1 1 322.332 0.874 20 0 DCADMM O=C1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1c1ccccc1 ZINC001582759613 1166076138 /nfs/dbraw/zinc/07/61/38/1166076138.db2.gz DUYRUSFCNIKNKF-SNVBAGLBSA-N -1 1 322.332 0.874 20 0 DCADMM O=S(=O)(NCc1ncccn1)c1ccsc1-c1nn[n-]n1 ZINC001582797664 1166083528 /nfs/dbraw/zinc/08/35/28/1166083528.db2.gz SPJIAEOBXROHKA-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@H](O)c1ccc(F)cc1 ZINC001582806816 1166086485 /nfs/dbraw/zinc/08/64/85/1166086485.db2.gz UTYPWSXCRQYKAM-LBPRGKRZSA-N -1 1 301.281 0.901 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@@H]1COc2ccccc2O1 ZINC001582806333 1166086951 /nfs/dbraw/zinc/08/69/51/1166086951.db2.gz NLBAMELBDVWHGI-LLVKDONJSA-N -1 1 311.301 0.868 20 0 DCADMM OC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC001582812750 1166090566 /nfs/dbraw/zinc/09/05/66/1166090566.db2.gz RNNRVTWFKRRQFM-PHDIDXHHSA-N -1 1 316.774 0.786 20 0 DCADMM OC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC001582812750 1166090572 /nfs/dbraw/zinc/09/05/72/1166090572.db2.gz RNNRVTWFKRRQFM-PHDIDXHHSA-N -1 1 316.774 0.786 20 0 DCADMM c1cc(CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)on1 ZINC001582816030 1166096443 /nfs/dbraw/zinc/09/64/43/1166096443.db2.gz ACGMWKZUIOWLQR-UHFFFAOYSA-N -1 1 315.337 0.766 20 0 DCADMM c1cc(CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)on1 ZINC001582816030 1166096451 /nfs/dbraw/zinc/09/64/51/1166096451.db2.gz ACGMWKZUIOWLQR-UHFFFAOYSA-N -1 1 315.337 0.766 20 0 DCADMM CN(CC1=CCCOC1)C(=O)CNC(=O)c1ncccc1[O-] ZINC001583932706 1166295201 /nfs/dbraw/zinc/29/52/01/1166295201.db2.gz MVYIUQPVUVCLIK-UHFFFAOYSA-N -1 1 305.334 0.322 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCOCC(F)F)n[n-]1 ZINC001584175918 1166312681 /nfs/dbraw/zinc/31/26/81/1166312681.db2.gz IMTQKQYGUJZIJI-ZETCQYMHSA-N -1 1 320.296 0.830 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCOCC(F)F)[n-]1 ZINC001584175918 1166312684 /nfs/dbraw/zinc/31/26/84/1166312684.db2.gz IMTQKQYGUJZIJI-ZETCQYMHSA-N -1 1 320.296 0.830 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCOCC(F)F)n1 ZINC001584175918 1166312689 /nfs/dbraw/zinc/31/26/89/1166312689.db2.gz IMTQKQYGUJZIJI-ZETCQYMHSA-N -1 1 320.296 0.830 20 0 DCADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CCOCC(F)F)n[n-]1 ZINC001584175917 1166313385 /nfs/dbraw/zinc/31/33/85/1166313385.db2.gz IMTQKQYGUJZIJI-SSDOTTSWSA-N -1 1 320.296 0.830 20 0 DCADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCOCC(F)F)[n-]1 ZINC001584175917 1166313388 /nfs/dbraw/zinc/31/33/88/1166313388.db2.gz IMTQKQYGUJZIJI-SSDOTTSWSA-N -1 1 320.296 0.830 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCOCC(F)F)n1 ZINC001584175917 1166313392 /nfs/dbraw/zinc/31/33/92/1166313392.db2.gz IMTQKQYGUJZIJI-SSDOTTSWSA-N -1 1 320.296 0.830 20 0 DCADMM COc1nccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)n1 ZINC001586104704 1166478651 /nfs/dbraw/zinc/47/86/51/1166478651.db2.gz AKPKCMCDMRQQSK-NSHDSACASA-N -1 1 311.305 0.518 20 0 DCADMM C/C=C(\C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ncccc2[O-])C1 ZINC001586268816 1166490916 /nfs/dbraw/zinc/49/09/16/1166490916.db2.gz BNZFXBSONYQYLX-WPGNYUKHSA-N -1 1 319.361 0.447 20 0 DCADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@@H]1CCCNC1=O ZINC001586308726 1166493666 /nfs/dbraw/zinc/49/36/66/1166493666.db2.gz MEGBIHZPSCZQLM-LLVKDONJSA-N -1 1 316.321 0.243 20 0 DCADMM O=C(CCc1nn[n-]n1)NCc1ccc(Cn2cccn2)cc1 ZINC001586809774 1166500407 /nfs/dbraw/zinc/50/04/07/1166500407.db2.gz WGHLOIAULRDSNR-UHFFFAOYSA-N -1 1 311.349 0.694 20 0 DCADMM CCC[C@H](NC(=O)c1ccc(Cn2ccnn2)o1)c1nn[n-]n1 ZINC001587597913 1166509071 /nfs/dbraw/zinc/50/90/71/1166509071.db2.gz MGFHZKTVQSYNEG-JTQLQIEISA-N -1 1 316.325 0.704 20 0 DCADMM CC(=O)C[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001588786935 1166589737 /nfs/dbraw/zinc/58/97/37/1166589737.db2.gz QSRWBWJPSZIKSM-VIFPVBQESA-N -1 1 305.294 0.280 20 0 DCADMM CC(=O)C[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001588786935 1166589741 /nfs/dbraw/zinc/58/97/41/1166589741.db2.gz QSRWBWJPSZIKSM-VIFPVBQESA-N -1 1 305.294 0.280 20 0 DCADMM CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588813234 1166596331 /nfs/dbraw/zinc/59/63/31/1166596331.db2.gz VCXHHXAJKZZNII-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588813234 1166596340 /nfs/dbraw/zinc/59/63/40/1166596340.db2.gz VCXHHXAJKZZNII-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001588818869 1166597592 /nfs/dbraw/zinc/59/75/92/1166597592.db2.gz DPSOUOFYEUEUCE-GFCCVEGCSA-N -1 1 315.337 0.235 20 0 DCADMM CC(=O)N1CCC[C@@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001588818869 1166597595 /nfs/dbraw/zinc/59/75/95/1166597595.db2.gz DPSOUOFYEUEUCE-GFCCVEGCSA-N -1 1 315.337 0.235 20 0 DCADMM CC(=O)N1CCC[C@H](CNc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001588818137 1166598190 /nfs/dbraw/zinc/59/81/90/1166598190.db2.gz AYKJXQJZAZKEHY-LLVKDONJSA-N -1 1 301.354 0.354 20 0 DCADMM CC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001588818137 1166598199 /nfs/dbraw/zinc/59/81/99/1166598199.db2.gz AYKJXQJZAZKEHY-LLVKDONJSA-N -1 1 301.354 0.354 20 0 DCADMM CC(=O)N[C@H]1CC[C@@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588839292 1166603387 /nfs/dbraw/zinc/60/33/87/1166603387.db2.gz BPSRPZSWVQWNHE-SCZZXKLOSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H]1CC[C@@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588839292 1166603391 /nfs/dbraw/zinc/60/33/91/1166603391.db2.gz BPSRPZSWVQWNHE-SCZZXKLOSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)NCC1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001588855332 1166609354 /nfs/dbraw/zinc/60/93/54/1166609354.db2.gz SOSPQUCJJPRGJN-UHFFFAOYSA-N -1 1 315.381 0.923 20 0 DCADMM CC(=O)NCC1CCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001588855332 1166609358 /nfs/dbraw/zinc/60/93/58/1166609358.db2.gz SOSPQUCJJPRGJN-UHFFFAOYSA-N -1 1 315.381 0.923 20 0 DCADMM CC(=O)NCCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588860884 1166610153 /nfs/dbraw/zinc/61/01/53/1166610153.db2.gz BKPPINPHXUMSPT-UHFFFAOYSA-N -1 1 301.763 0.915 20 0 DCADMM CC(=O)O[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001588887108 1166613915 /nfs/dbraw/zinc/61/39/15/1166613915.db2.gz RJTLLGDJSAWFDW-VIFPVBQESA-N -1 1 305.294 0.627 20 0 DCADMM CC(=O)O[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001588887108 1166613921 /nfs/dbraw/zinc/61/39/21/1166613921.db2.gz RJTLLGDJSAWFDW-VIFPVBQESA-N -1 1 305.294 0.627 20 0 DCADMM CC(=O)c1cc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)on1 ZINC001588901163 1166616403 /nfs/dbraw/zinc/61/64/03/1166616403.db2.gz LBYIOIUVLWTDEO-UHFFFAOYSA-N -1 1 314.261 0.809 20 0 DCADMM CC(=O)c1cc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)on1 ZINC001588901163 1166616407 /nfs/dbraw/zinc/61/64/07/1166616407.db2.gz LBYIOIUVLWTDEO-UHFFFAOYSA-N -1 1 314.261 0.809 20 0 DCADMM C[C@@H](C(=O)N1CC2(C1)CC(F)(F)C2)n1cnc(-c2nn[n-]n2)n1 ZINC001588944962 1166621066 /nfs/dbraw/zinc/62/10/66/1166621066.db2.gz HEHOOUNPZSNVNI-ZETCQYMHSA-N -1 1 324.295 0.277 20 0 DCADMM C[C@H](C(=O)N1CCOC(C)(C)[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001588959674 1166622641 /nfs/dbraw/zinc/62/26/41/1166622641.db2.gz HBPGBJSIQIKKNH-RKDXNWHRSA-N -1 1 320.357 0.045 20 0 DCADMM C[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001588998886 1166626008 /nfs/dbraw/zinc/62/60/08/1166626008.db2.gz GPVYZBNKFCNCOX-VIFPVBQESA-N -1 1 312.337 0.415 20 0 DCADMM C[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001588998886 1166626018 /nfs/dbraw/zinc/62/60/18/1166626018.db2.gz GPVYZBNKFCNCOX-VIFPVBQESA-N -1 1 312.337 0.415 20 0 DCADMM C[C@H](C(=O)N[C@@H]1CC=CC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001589002886 1166627234 /nfs/dbraw/zinc/62/72/34/1166627234.db2.gz GAQZEPOKILVNAX-OPRDCNLKSA-N -1 1 302.342 0.490 20 0 DCADMM C[C@H](C(=O)NCCCCC1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588990725 1166627473 /nfs/dbraw/zinc/62/74/73/1166627473.db2.gz WUHCDPZLSQDFTA-SECBINFHSA-N -1 1 304.358 0.716 20 0 DCADMM CC(C)(C)OC(=O)CCCn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001589151626 1166637347 /nfs/dbraw/zinc/63/73/47/1166637347.db2.gz LSRIIVLPTCGSHT-UHFFFAOYSA-N -1 1 322.325 0.251 20 0 DCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589213224 1166639665 /nfs/dbraw/zinc/63/96/65/1166639665.db2.gz GMIDNIRVSABQJM-RKDXNWHRSA-N -1 1 304.358 0.257 20 0 DCADMM CC(C)=CC(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001589368250 1166651760 /nfs/dbraw/zinc/65/17/60/1166651760.db2.gz SYTHWJKRXXRPHF-JTQLQIEISA-N -1 1 316.369 0.930 20 0 DCADMM CC(C)=CC(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001589368250 1166651762 /nfs/dbraw/zinc/65/17/62/1166651762.db2.gz SYTHWJKRXXRPHF-JTQLQIEISA-N -1 1 316.369 0.930 20 0 DCADMM CC(C)[C@@H](CO)[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001589459736 1166659291 /nfs/dbraw/zinc/65/92/91/1166659291.db2.gz JHJGFEYVQXFNKO-PWSUYJOCSA-N -1 1 305.386 0.780 20 0 DCADMM CC(C)[C@]1(CO)CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589494630 1166663125 /nfs/dbraw/zinc/66/31/25/1166663125.db2.gz OLSJOFQPHLCYRB-CQSZACIVSA-N -1 1 303.370 0.892 20 0 DCADMM CC(C)[C@]1(CO)CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589494630 1166663130 /nfs/dbraw/zinc/66/31/30/1166663130.db2.gz OLSJOFQPHLCYRB-CQSZACIVSA-N -1 1 303.370 0.892 20 0 DCADMM CC(C)CC(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001589536218 1166665574 /nfs/dbraw/zinc/66/55/74/1166665574.db2.gz HKDNCWLZBVTOJM-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)CC(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001589536218 1166665577 /nfs/dbraw/zinc/66/55/77/1166665577.db2.gz HKDNCWLZBVTOJM-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589573213 1166667560 /nfs/dbraw/zinc/66/75/60/1166667560.db2.gz UTZHUTCEHAZMJO-VIFPVBQESA-N -1 1 318.337 0.446 20 0 DCADMM CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589573213 1166667563 /nfs/dbraw/zinc/66/75/63/1166667563.db2.gz UTZHUTCEHAZMJO-VIFPVBQESA-N -1 1 318.337 0.446 20 0 DCADMM CC(C)CNC(=O)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589635175 1166669198 /nfs/dbraw/zinc/66/91/98/1166669198.db2.gz VHEWEEHNKHWWDM-UHFFFAOYSA-N -1 1 318.337 0.120 20 0 DCADMM CC(C)CNC(=O)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589635175 1166669200 /nfs/dbraw/zinc/66/92/00/1166669200.db2.gz VHEWEEHNKHWWDM-UHFFFAOYSA-N -1 1 318.337 0.120 20 0 DCADMM CC(C)N1CC[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1=O ZINC001589712057 1166673349 /nfs/dbraw/zinc/67/33/49/1166673349.db2.gz NQFIZXODCAUYEU-VIFPVBQESA-N -1 1 304.310 0.199 20 0 DCADMM CC(C)N1CC[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1=O ZINC001589712057 1166673352 /nfs/dbraw/zinc/67/33/52/1166673352.db2.gz NQFIZXODCAUYEU-VIFPVBQESA-N -1 1 304.310 0.199 20 0 DCADMM CC(C)O[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCOC1 ZINC001589738436 1166681404 /nfs/dbraw/zinc/68/14/04/1166681404.db2.gz WGQVQKBYKFFUPH-ZDUSSCGKSA-N -1 1 305.342 0.653 20 0 DCADMM CC(C)O[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCOC1 ZINC001589738436 1166681406 /nfs/dbraw/zinc/68/14/06/1166681406.db2.gz WGQVQKBYKFFUPH-ZDUSSCGKSA-N -1 1 305.342 0.653 20 0 DCADMM CC(C)[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(C)(C)O ZINC001589763903 1166683445 /nfs/dbraw/zinc/68/34/45/1166683445.db2.gz HBMCLIPYVYPNDL-ZDUSSCGKSA-N -1 1 318.381 0.716 20 0 DCADMM CC(C)[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(C)(C)O ZINC001589763903 1166683450 /nfs/dbraw/zinc/68/34/50/1166683450.db2.gz HBMCLIPYVYPNDL-ZDUSSCGKSA-N -1 1 318.381 0.716 20 0 DCADMM CC(C)OC(=O)CC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589802530 1166690708 /nfs/dbraw/zinc/69/07/08/1166690708.db2.gz KFVNBMGJOZDZGU-SECBINFHSA-N -1 1 305.342 0.611 20 0 DCADMM C[C@@H](CN(C)C(=O)c1cscc1-c1nn[nH]n1)c1nn[n-]n1 ZINC001589841457 1166697628 /nfs/dbraw/zinc/69/76/28/1166697628.db2.gz TXJZRWGFGOKMPD-LURJTMIESA-N -1 1 319.354 0.317 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589853164 1166700920 /nfs/dbraw/zinc/70/09/20/1166700920.db2.gz OMYCAEPRLMTZFM-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589853164 1166700930 /nfs/dbraw/zinc/70/09/30/1166700930.db2.gz OMYCAEPRLMTZFM-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNc1ncncc1-c1nn[n-]n1)CC1(C)OCCO1 ZINC001589880846 1166704414 /nfs/dbraw/zinc/70/44/14/1166704414.db2.gz VHHCPHIRDNLBJA-SECBINFHSA-N -1 1 305.342 0.858 20 0 DCADMM C[C@@H](COC(=O)c1coc(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001589885096 1166707797 /nfs/dbraw/zinc/70/77/97/1166707797.db2.gz RNAJUHKSRGNJGM-ZETCQYMHSA-N -1 1 314.323 0.297 20 0 DCADMM C[C@@H](COC(=O)c1coc(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001589885096 1166707803 /nfs/dbraw/zinc/70/78/03/1166707803.db2.gz RNAJUHKSRGNJGM-ZETCQYMHSA-N -1 1 314.323 0.297 20 0 DCADMM C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589886468 1166709197 /nfs/dbraw/zinc/70/91/97/1166709197.db2.gz HDHRGFUVXIMVDN-GWCFXTLKSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589886468 1166709199 /nfs/dbraw/zinc/70/91/99/1166709199.db2.gz HDHRGFUVXIMVDN-GWCFXTLKSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](COCC(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589886332 1166709367 /nfs/dbraw/zinc/70/93/67/1166709367.db2.gz UIISBRZAHNOTCB-LURJTMIESA-N -1 1 303.248 0.458 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCOC1 ZINC001589926317 1166721554 /nfs/dbraw/zinc/72/15/54/1166721554.db2.gz LEOOJWGZKWWTRR-PWSUYJOCSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCOC1 ZINC001589926317 1166721560 /nfs/dbraw/zinc/72/15/60/1166721560.db2.gz LEOOJWGZKWWTRR-PWSUYJOCSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1nnc2n1CCC2 ZINC001589975202 1166733417 /nfs/dbraw/zinc/73/34/17/1166733417.db2.gz AXZVCRHGJZWUQJ-ZETCQYMHSA-N -1 1 317.382 0.712 20 0 DCADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1nnc2n1CCC2 ZINC001589975202 1166733424 /nfs/dbraw/zinc/73/34/24/1166733424.db2.gz AXZVCRHGJZWUQJ-ZETCQYMHSA-N -1 1 317.382 0.712 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1cccnc1 ZINC001589977092 1166735940 /nfs/dbraw/zinc/73/59/40/1166735940.db2.gz YJJNWWKPEPMHDV-MRVPVSSYSA-N -1 1 320.334 0.894 20 0 DCADMM C[C@@H](CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C[C@H](C)O ZINC001589999765 1166746177 /nfs/dbraw/zinc/74/61/77/1166746177.db2.gz ZWTPDNLYOZAGKW-ZJUUUORDSA-N -1 1 304.354 0.327 20 0 DCADMM C[C@@H](CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C[C@H](C)O ZINC001589999765 1166746184 /nfs/dbraw/zinc/74/61/84/1166746184.db2.gz ZWTPDNLYOZAGKW-ZJUUUORDSA-N -1 1 304.354 0.327 20 0 DCADMM C[C@@H](OC(=O)c1csc(-c2nnn[n-]2)c1)c1nnnn1C ZINC001590015604 1166752544 /nfs/dbraw/zinc/75/25/44/1166752544.db2.gz JMBCIADQRFKBCK-RXMQYKEDSA-N -1 1 306.311 0.370 20 0 DCADMM C[C@@H](OC(=O)c1csc(-c2nn[n-]n2)c1)c1nnnn1C ZINC001590015604 1166752550 /nfs/dbraw/zinc/75/25/50/1166752550.db2.gz JMBCIADQRFKBCK-RXMQYKEDSA-N -1 1 306.311 0.370 20 0 DCADMM C[C@@H](c1nnc(-c2cccn2C)o1)n1cnc(-c2nn[n-]n2)n1 ZINC001590053859 1166759715 /nfs/dbraw/zinc/75/97/15/1166759715.db2.gz GGTVXHGNMJSPDE-ZETCQYMHSA-N -1 1 312.297 0.456 20 0 DCADMM CC1(C(=O)NCCNc2nccnc2-c2nnn[n-]2)CCC1 ZINC001590069720 1166762388 /nfs/dbraw/zinc/76/23/88/1166762388.db2.gz HHTUDISADUCCAP-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CC1(C(=O)NCCNc2nccnc2-c2nn[n-]n2)CCC1 ZINC001590069720 1166762391 /nfs/dbraw/zinc/76/23/91/1166762391.db2.gz HHTUDISADUCCAP-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM C[C@@]1(C(N)=O)CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590073201 1166766346 /nfs/dbraw/zinc/76/63/46/1166766346.db2.gz PJBZKHCUBOLISY-CQSZACIVSA-N -1 1 318.312 0.343 20 0 DCADMM C[C@@]1(C(N)=O)CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590073201 1166766350 /nfs/dbraw/zinc/76/63/50/1166766350.db2.gz PJBZKHCUBOLISY-CQSZACIVSA-N -1 1 318.312 0.343 20 0 DCADMM CC1(C)CCC[C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590093540 1166770952 /nfs/dbraw/zinc/77/09/52/1166770952.db2.gz JOSPMAYJYGOBDN-JTQLQIEISA-N -1 1 318.385 0.791 20 0 DCADMM CC1(C)CN(c2ncncc2-c2nn[n-]n2)C[C@@]2(CCOC2)O1 ZINC001590109216 1166775673 /nfs/dbraw/zinc/77/56/73/1166775673.db2.gz FQSJTOOWHRMPBZ-CQSZACIVSA-N -1 1 317.353 0.431 20 0 DCADMM CC1(C)OCC(C)(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CO1 ZINC001590114784 1166779658 /nfs/dbraw/zinc/77/96/58/1166779658.db2.gz DKILXXQPOXCUKC-UHFFFAOYSA-N -1 1 307.314 0.318 20 0 DCADMM CC1(C)OCC(C)(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CO1 ZINC001590114784 1166779664 /nfs/dbraw/zinc/77/96/64/1166779664.db2.gz DKILXXQPOXCUKC-UHFFFAOYSA-N -1 1 307.314 0.318 20 0 DCADMM CC1(C)OCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590118025 1166781127 /nfs/dbraw/zinc/78/11/27/1166781127.db2.gz JYHJNEUUUTYPBM-LLVKDONJSA-N -1 1 302.338 0.488 20 0 DCADMM CC1(C)OCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590118025 1166781133 /nfs/dbraw/zinc/78/11/33/1166781133.db2.gz JYHJNEUUUTYPBM-LLVKDONJSA-N -1 1 302.338 0.488 20 0 DCADMM CC1(C)[C@@H]2CC[C@@]1(C(=O)n1ncc(-c3nn[n-]n3)c1N)C(=O)C2 ZINC001590121416 1166781971 /nfs/dbraw/zinc/78/19/71/1166781971.db2.gz SINVOWJNJHNZCC-UOWDBTKRSA-N -1 1 315.337 0.681 20 0 DCADMM C[C@]1(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H]2C[C@H]2C1 ZINC001590130768 1166785075 /nfs/dbraw/zinc/78/50/75/1166785075.db2.gz XGOZBFGIPXRRFK-WOFXILAISA-N -1 1 302.342 0.011 20 0 DCADMM C[C@@H]1C[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)[C@H](C)O1 ZINC001590183905 1166802447 /nfs/dbraw/zinc/80/24/47/1166802447.db2.gz VGUIPOYFPCKRNL-GJMOJQLCSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@@H]1C[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)[C@H](C)O1 ZINC001590183905 1166802452 /nfs/dbraw/zinc/80/24/52/1166802452.db2.gz VGUIPOYFPCKRNL-GJMOJQLCSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001590198540 1166810164 /nfs/dbraw/zinc/81/01/64/1166810164.db2.gz CUKTWLDAQZQUQP-JGVFFNPUSA-N -1 1 308.367 0.905 20 0 DCADMM C[C@H]1CC[C@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)O1 ZINC001590230573 1166820166 /nfs/dbraw/zinc/82/01/66/1166820166.db2.gz MCHZXKHEVGCSPG-JGVFFNPUSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@H]1CC[C@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)O1 ZINC001590230573 1166820173 /nfs/dbraw/zinc/82/01/73/1166820173.db2.gz MCHZXKHEVGCSPG-JGVFFNPUSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590226276 1166820679 /nfs/dbraw/zinc/82/06/79/1166820679.db2.gz NSLPDNAOWPKEQR-SFYZADRCSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590226276 1166820683 /nfs/dbraw/zinc/82/06/83/1166820683.db2.gz NSLPDNAOWPKEQR-SFYZADRCSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccncc1-c1nn[nH]n1 ZINC001590225414 1166820925 /nfs/dbraw/zinc/82/09/25/1166820925.db2.gz DONBKPXIHOKIRB-KOLCDFICSA-N -1 1 302.338 0.947 20 0 DCADMM C[C@@H]1CCC[C@H](C)N1C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001590242646 1166826255 /nfs/dbraw/zinc/82/62/55/1166826255.db2.gz HBCREYMRLBKNOS-PHIMTYICSA-N -1 1 316.365 0.818 20 0 DCADMM C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001590242642 1166826356 /nfs/dbraw/zinc/82/63/56/1166826356.db2.gz HBCREYMRLBKNOS-GHMZBOCLSA-N -1 1 316.365 0.818 20 0 DCADMM C[C@H]1CCCC[C@H]1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC001590252177 1166827123 /nfs/dbraw/zinc/82/71/23/1166827123.db2.gz LDTDOCLVAVMLGH-UWVGGRQHSA-N -1 1 304.354 0.553 20 0 DCADMM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590277402 1166838545 /nfs/dbraw/zinc/83/85/45/1166838545.db2.gz ILQLDTHVSVEPFY-POYBYMJQSA-N -1 1 306.351 0.183 20 0 DCADMM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590277402 1166838549 /nfs/dbraw/zinc/83/85/49/1166838549.db2.gz ILQLDTHVSVEPFY-POYBYMJQSA-N -1 1 306.351 0.183 20 0 DCADMM C[C@@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590292190 1166843528 /nfs/dbraw/zinc/84/35/28/1166843528.db2.gz KDUXJXAIQYOKCP-SECBINFHSA-N -1 1 323.378 0.940 20 0 DCADMM C[C@@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590292190 1166843533 /nfs/dbraw/zinc/84/35/33/1166843533.db2.gz KDUXJXAIQYOKCP-SECBINFHSA-N -1 1 323.378 0.940 20 0 DCADMM C[C@H]1CN(C(=O)c2ccsc2-c2nnn[n-]2)CC(=O)N1C ZINC001590300859 1166849413 /nfs/dbraw/zinc/84/94/13/1166849413.db2.gz XSQOTMWQFOEDPO-ZETCQYMHSA-N -1 1 306.351 0.231 20 0 DCADMM C[C@H]1CN(C(=O)c2ccsc2-c2nn[n-]n2)CC(=O)N1C ZINC001590300859 1166849421 /nfs/dbraw/zinc/84/94/21/1166849421.db2.gz XSQOTMWQFOEDPO-ZETCQYMHSA-N -1 1 306.351 0.231 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)CCO1 ZINC001590312389 1166858090 /nfs/dbraw/zinc/85/80/90/1166858090.db2.gz IWEOSKLAMGQRMQ-SSDOTTSWSA-N -1 1 315.380 0.338 20 0 DCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@]2(CCCOC2)O1 ZINC001590317112 1166861392 /nfs/dbraw/zinc/86/13/92/1166861392.db2.gz ULSCBKOXXRRNSX-YGRLFVJLSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@]2(CCCOC2)O1 ZINC001590317112 1166861394 /nfs/dbraw/zinc/86/13/94/1166861394.db2.gz ULSCBKOXXRRNSX-YGRLFVJLSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CO[C@H](CO)CN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590323036 1166865140 /nfs/dbraw/zinc/86/51/40/1166865140.db2.gz JHQWZIKSQZQIQQ-BDAKNGLRSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@@H]1CO[C@H](CO)CN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590323036 1166865149 /nfs/dbraw/zinc/86/51/49/1166865149.db2.gz JHQWZIKSQZQIQQ-BDAKNGLRSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@@H]1OCC[C@]1(C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590333893 1166869683 /nfs/dbraw/zinc/86/96/83/1166869683.db2.gz LNNGYPXNFKRODU-SDBXPKJASA-N -1 1 303.326 0.951 20 0 DCADMM C[C@@H]1OCC[C@]1(C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590333893 1166869698 /nfs/dbraw/zinc/86/96/98/1166869698.db2.gz LNNGYPXNFKRODU-SDBXPKJASA-N -1 1 303.326 0.951 20 0 DCADMM C[C@H]1OCC[C@@]1(C)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590336575 1166873609 /nfs/dbraw/zinc/87/36/09/1166873609.db2.gz QIHZKZCWTYQZGV-JMCQJSRRSA-N -1 1 323.382 0.690 20 0 DCADMM C[C@H]1OCC[C@@]1(C)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590336575 1166873605 /nfs/dbraw/zinc/87/36/05/1166873605.db2.gz QIHZKZCWTYQZGV-JMCQJSRRSA-N -1 1 323.382 0.690 20 0 DCADMM C[C@@H]1[C@H](C)OCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590336059 1166873855 /nfs/dbraw/zinc/87/38/55/1166873855.db2.gz JHFNGZKWKODWRQ-SFYZADRCSA-N -1 1 323.382 0.642 20 0 DCADMM C[C@@H]1[C@H](C)OCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590336059 1166873864 /nfs/dbraw/zinc/87/38/64/1166873864.db2.gz JHFNGZKWKODWRQ-SFYZADRCSA-N -1 1 323.382 0.642 20 0 DCADMM C/C=C(\C)C(=O)N(CC)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590344928 1166876864 /nfs/dbraw/zinc/87/68/64/1166876864.db2.gz XPGNTLSNIVLRCM-ONNFQVAWSA-N -1 1 316.369 0.883 20 0 DCADMM C/C=C(\C)C(=O)N(CC)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590344928 1166876872 /nfs/dbraw/zinc/87/68/72/1166876872.db2.gz XPGNTLSNIVLRCM-ONNFQVAWSA-N -1 1 316.369 0.883 20 0 DCADMM C/C=C(/C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590342512 1166877079 /nfs/dbraw/zinc/87/70/79/1166877079.db2.gz HLURFSORLUSXHI-BSKOKIOFSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(/C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590342512 1166877083 /nfs/dbraw/zinc/87/70/83/1166877083.db2.gz HLURFSORLUSXHI-BSKOKIOFSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001590343164 1166877576 /nfs/dbraw/zinc/87/75/76/1166877576.db2.gz MRAUVCPHRWXXMQ-ONNFQVAWSA-N -1 1 316.369 0.883 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001590343164 1166877582 /nfs/dbraw/zinc/87/75/82/1166877582.db2.gz MRAUVCPHRWXXMQ-ONNFQVAWSA-N -1 1 316.369 0.883 20 0 DCADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590340258 1166877739 /nfs/dbraw/zinc/87/77/39/1166877739.db2.gz ZWZKVRYZRACINR-SREGZZRCSA-N -1 1 302.338 0.803 20 0 DCADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590340258 1166877745 /nfs/dbraw/zinc/87/77/45/1166877745.db2.gz ZWZKVRYZRACINR-SREGZZRCSA-N -1 1 302.338 0.803 20 0 DCADMM CCC(=CC(=O)NCCNc1cncc(-c2nnn[n-]2)n1)CC ZINC001590356072 1166881589 /nfs/dbraw/zinc/88/15/89/1166881589.db2.gz LJNFGXAQMLOROH-UHFFFAOYSA-N -1 1 316.369 0.931 20 0 DCADMM CCC(=CC(=O)NCCNc1cncc(-c2nn[n-]n2)n1)CC ZINC001590356072 1166881592 /nfs/dbraw/zinc/88/15/92/1166881592.db2.gz LJNFGXAQMLOROH-UHFFFAOYSA-N -1 1 316.369 0.931 20 0 DCADMM CCC(=O)N[C@@H](C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001590363524 1166888013 /nfs/dbraw/zinc/88/80/13/1166888013.db2.gz GFEHMTZRLZKYNT-DTWKUNHWSA-N -1 1 304.358 0.762 20 0 DCADMM CCC(=O)N[C@@H](C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001590363524 1166888018 /nfs/dbraw/zinc/88/80/18/1166888018.db2.gz GFEHMTZRLZKYNT-DTWKUNHWSA-N -1 1 304.358 0.762 20 0 DCADMM CC[C@@](C)(CCO)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590381672 1166894597 /nfs/dbraw/zinc/89/45/97/1166894597.db2.gz LZOARXZQDHQJKK-ZDUSSCGKSA-N -1 1 305.342 0.934 20 0 DCADMM CC[C@@](C)(CCO)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590381672 1166894603 /nfs/dbraw/zinc/89/46/03/1166894603.db2.gz LZOARXZQDHQJKK-ZDUSSCGKSA-N -1 1 305.342 0.934 20 0 DCADMM CC[C@](C)(O)Cc1cn(Cc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001590383275 1166894953 /nfs/dbraw/zinc/89/49/53/1166894953.db2.gz BCFKKZKYSCJXHP-LBPRGKRZSA-N -1 1 320.382 0.667 20 0 DCADMM CC[C@](C)(O)Cc1cn(Cc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001590383275 1166894955 /nfs/dbraw/zinc/89/49/55/1166894955.db2.gz BCFKKZKYSCJXHP-LBPRGKRZSA-N -1 1 320.382 0.667 20 0 DCADMM CC/C(C)=C/C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590384774 1166895190 /nfs/dbraw/zinc/89/51/90/1166895190.db2.gz KGUKAAUSULJERW-MDZDMXLPSA-N -1 1 316.369 0.883 20 0 DCADMM CC/C(C)=C/C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590384774 1166895197 /nfs/dbraw/zinc/89/51/97/1166895197.db2.gz KGUKAAUSULJERW-MDZDMXLPSA-N -1 1 316.369 0.883 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590391096 1166898073 /nfs/dbraw/zinc/89/80/73/1166898073.db2.gz PGJKDHFYPYXYLJ-VIFPVBQESA-N -1 1 304.358 0.573 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590391096 1166898083 /nfs/dbraw/zinc/89/80/83/1166898083.db2.gz PGJKDHFYPYXYLJ-VIFPVBQESA-N -1 1 304.358 0.573 20 0 DCADMM CC[C@H](C)NC(=O)CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590413343 1166903475 /nfs/dbraw/zinc/90/34/75/1166903475.db2.gz XJGXDQAWNXTFJS-QMMMGPOBSA-N -1 1 322.394 0.963 20 0 DCADMM CC[C@H](C)NC(=O)CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590413343 1166903481 /nfs/dbraw/zinc/90/34/81/1166903481.db2.gz XJGXDQAWNXTFJS-QMMMGPOBSA-N -1 1 322.394 0.963 20 0 DCADMM CCC(CC)(NC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590427575 1166903718 /nfs/dbraw/zinc/90/37/18/1166903718.db2.gz BJMPFEBQMGLGNS-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CCC(CC)(NC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)OC ZINC001590427575 1166903721 /nfs/dbraw/zinc/90/37/21/1166903721.db2.gz BJMPFEBQMGLGNS-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590456819 1166912813 /nfs/dbraw/zinc/91/28/13/1166912813.db2.gz VBPWUNRYCOFAJQ-SFYZADRCSA-N -1 1 308.321 0.321 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590456819 1166912817 /nfs/dbraw/zinc/91/28/17/1166912817.db2.gz VBPWUNRYCOFAJQ-SFYZADRCSA-N -1 1 308.321 0.321 20 0 DCADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H](C)O ZINC001590470021 1166916917 /nfs/dbraw/zinc/91/69/17/1166916917.db2.gz NWJKGNXIWQFCJX-RQJHMYQMSA-N -1 1 317.396 0.366 20 0 DCADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H](C)O ZINC001590470021 1166916920 /nfs/dbraw/zinc/91/69/20/1166916920.db2.gz NWJKGNXIWQFCJX-RQJHMYQMSA-N -1 1 317.396 0.366 20 0 DCADMM CCC1(CC(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)COC1 ZINC001590493703 1166923345 /nfs/dbraw/zinc/92/33/45/1166923345.db2.gz XPUFGOMLSHIGOV-UHFFFAOYSA-N -1 1 305.342 0.664 20 0 DCADMM CCC1(CC(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)COC1 ZINC001590493703 1166923350 /nfs/dbraw/zinc/92/33/50/1166923350.db2.gz XPUFGOMLSHIGOV-UHFFFAOYSA-N -1 1 305.342 0.664 20 0 DCADMM CC[C@]1(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCOC1 ZINC001590495053 1166923812 /nfs/dbraw/zinc/92/38/12/1166923812.db2.gz 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ZINC001590504939 1166928278 /nfs/dbraw/zinc/92/82/78/1166928278.db2.gz MLIZVXVXFHTLQI-ZJUUUORDSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H](C)[S@@]1=O ZINC001590520763 1166932104 /nfs/dbraw/zinc/93/21/04/1166932104.db2.gz IXKNIGRZTMLCKN-UODZXCQVSA-N -1 1 306.395 0.998 20 0 DCADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H](C)[S@@]1=O ZINC001590520763 1166932107 /nfs/dbraw/zinc/93/21/07/1166932107.db2.gz IXKNIGRZTMLCKN-UODZXCQVSA-N -1 1 306.395 0.998 20 0 DCADMM CC/C=C(/C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590532530 1166936660 /nfs/dbraw/zinc/93/66/60/1166936660.db2.gz ZFBKLXBLXUOEOU-HYHWUIIZSA-N -1 1 316.369 0.352 20 0 DCADMM CCC[C@@H](C)C(=O)NCCNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590546642 1166939406 /nfs/dbraw/zinc/93/94/06/1166939406.db2.gz OGCTZCCFSHVZIE-SECBINFHSA-N -1 1 318.385 0.929 20 0 DCADMM CCC[C@@H](C)C(=O)NCCNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590546642 1166939409 /nfs/dbraw/zinc/93/94/09/1166939409.db2.gz OGCTZCCFSHVZIE-SECBINFHSA-N -1 1 318.385 0.929 20 0 DCADMM CCCC(C)(C)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590542145 1166939707 /nfs/dbraw/zinc/93/97/07/1166939707.db2.gz VNNNAIBNNXKELA-UHFFFAOYSA-N -1 1 307.362 0.336 20 0 DCADMM CCCC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001590536786 1166940678 /nfs/dbraw/zinc/94/06/78/1166940678.db2.gz VHFFKCCFHHGBKY-VIFPVBQESA-N -1 1 304.358 0.398 20 0 DCADMM CCCC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001590536786 1166940683 /nfs/dbraw/zinc/94/06/83/1166940683.db2.gz VHFFKCCFHHGBKY-VIFPVBQESA-N -1 1 304.358 0.398 20 0 DCADMM CCCCCC(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590585068 1166945845 /nfs/dbraw/zinc/94/58/45/1166945845.db2.gz XCBSLOAJRBKBTB-JTQLQIEISA-N -1 1 318.385 0.576 20 0 DCADMM CCCCC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(=O)OC ZINC001590590510 1166946043 /nfs/dbraw/zinc/94/60/43/1166946043.db2.gz PWHLUHAXNZUWHY-VIFPVBQESA-N -1 1 305.342 0.612 20 0 DCADMM CCCN(CC(N)=O)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590623037 1166950587 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CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@](O)(C3CC3)C2)n1 ZINC001590906798 1167047223 /nfs/dbraw/zinc/04/72/23/1167047223.db2.gz XQQDEHSREDDURJ-HNNXBMFYSA-N -1 1 315.381 0.960 20 0 DCADMM CCc1nc(NCC(=O)N(CC)CC)cc(-c2nnn[n-]2)n1 ZINC001590916452 1167049259 /nfs/dbraw/zinc/04/92/59/1167049259.db2.gz OBLNOVMMKZMYPI-UHFFFAOYSA-N -1 1 304.358 0.499 20 0 DCADMM CCc1nc(NCC(=O)N(CC)CC)cc(-c2nn[n-]n2)n1 ZINC001590916452 1167049265 /nfs/dbraw/zinc/04/92/65/1167049265.db2.gz OBLNOVMMKZMYPI-UHFFFAOYSA-N -1 1 304.358 0.499 20 0 DCADMM CCc1nc(NCC[C@@H](C)NC(C)=O)cc(-c2nnn[n-]2)n1 ZINC001590920301 1167052108 /nfs/dbraw/zinc/05/21/08/1167052108.db2.gz RLMYOZORHQKPSX-MRVPVSSYSA-N -1 1 304.358 0.546 20 0 DCADMM CCc1nc(NCC[C@@H](C)NC(C)=O)cc(-c2nn[n-]n2)n1 ZINC001590920301 1167052111 /nfs/dbraw/zinc/05/21/11/1167052111.db2.gz RLMYOZORHQKPSX-MRVPVSSYSA-N -1 1 304.358 0.546 20 0 DCADMM CCc1nc(N[C@H]2C[C@H](CNC(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001590923469 1167052139 /nfs/dbraw/zinc/05/21/39/1167052139.db2.gz 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ZINC001591244994 1167174387 /nfs/dbraw/zinc/17/43/87/1167174387.db2.gz RUDCLPUNEBSCLR-UHFFFAOYSA-N -1 1 323.259 0.580 20 0 DCADMM COC(=O)C1(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CC1 ZINC001591244994 1167174395 /nfs/dbraw/zinc/17/43/95/1167174395.db2.gz RUDCLPUNEBSCLR-UHFFFAOYSA-N -1 1 323.259 0.580 20 0 DCADMM COC(=O)C1CC(NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591250732 1167176035 /nfs/dbraw/zinc/17/60/35/1167176035.db2.gz SXVSIRWQVIWTJT-UHFFFAOYSA-N -1 1 307.335 0.610 20 0 DCADMM COC(=O)C1CC(NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001591250732 1167176038 /nfs/dbraw/zinc/17/60/38/1167176038.db2.gz SXVSIRWQVIWTJT-UHFFFAOYSA-N -1 1 307.335 0.610 20 0 DCADMM COC(=O)/C=C\[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591257507 1167181618 /nfs/dbraw/zinc/18/16/18/1167181618.db2.gz QVCIMKBSUAJQPI-MJSGSUOKSA-N -1 1 305.294 0.616 20 0 DCADMM COC(=O)/C=C\[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591257507 1167181624 /nfs/dbraw/zinc/18/16/24/1167181624.db2.gz QVCIMKBSUAJQPI-MJSGSUOKSA-N -1 1 305.294 0.616 20 0 DCADMM COC(=O)CC(C)(C)N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591257992 1167181698 /nfs/dbraw/zinc/18/16/98/1167181698.db2.gz WKKLLCDJBODBRW-UHFFFAOYSA-N -1 1 318.337 0.675 20 0 DCADMM COC(=O)CC(C)(C)N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591257992 1167181702 /nfs/dbraw/zinc/18/17/02/1167181702.db2.gz WKKLLCDJBODBRW-UHFFFAOYSA-N -1 1 318.337 0.675 20 0 DCADMM COC(=O)C[C@@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CCO1 ZINC001591264040 1167186420 /nfs/dbraw/zinc/18/64/20/1167186420.db2.gz LGYXCVHENRJOTF-SNVBAGLBSA-N -1 1 318.337 0.338 20 0 DCADMM COC(=O)C[C@@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CCO1 ZINC001591264040 1167186423 /nfs/dbraw/zinc/18/64/23/1167186423.db2.gz LGYXCVHENRJOTF-SNVBAGLBSA-N -1 1 318.337 0.338 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCOCC2CC2)c1 ZINC001591285335 1167200167 /nfs/dbraw/zinc/20/01/67/1167200167.db2.gz IMCQDIXLQYXFIT-UHFFFAOYSA-N -1 1 319.321 0.242 20 0 DCADMM COC(=O)c1ccc(NC[C@@H]2CCCO2)c(-c2nnn[n-]2)n1 ZINC001591296551 1167204197 /nfs/dbraw/zinc/20/41/97/1167204197.db2.gz UCHUELIXZKATQM-QMMMGPOBSA-N -1 1 304.310 0.639 20 0 DCADMM COC(=O)c1ccc(NC[C@@H]2CCCO2)c(-c2nn[n-]n2)n1 ZINC001591296551 1167204201 /nfs/dbraw/zinc/20/42/01/1167204201.db2.gz UCHUELIXZKATQM-QMMMGPOBSA-N -1 1 304.310 0.639 20 0 DCADMM COC(=O)c1cccc(C(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001591297581 1167208156 /nfs/dbraw/zinc/20/81/56/1167208156.db2.gz FOIBIORVYFZKHN-UHFFFAOYSA-N -1 1 313.277 0.128 20 0 DCADMM CO[C@H](C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C)C1CCC1 ZINC001591315735 1167209754 /nfs/dbraw/zinc/20/97/54/1167209754.db2.gz IFFUKLXUSLOWGL-JTQLQIEISA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@H](C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C)C1CCC1 ZINC001591315735 1167209756 /nfs/dbraw/zinc/20/97/56/1167209756.db2.gz IFFUKLXUSLOWGL-JTQLQIEISA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591348299 1167228707 /nfs/dbraw/zinc/22/87/07/1167228707.db2.gz QVIJALYZRUKUEC-OPRDCNLKSA-N -1 1 320.357 0.045 20 0 DCADMM CO[C@@H]1CC[C@@H]2OCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C1 ZINC001591354537 1167231159 /nfs/dbraw/zinc/23/11/59/1167231159.db2.gz PUHILNPUVPKVMX-USWWRNFRSA-N -1 1 317.353 0.429 20 0 DCADMM CO[C@@H]1CC[C@@H]2OCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C1 ZINC001591354537 1167231164 /nfs/dbraw/zinc/23/11/64/1167231164.db2.gz PUHILNPUVPKVMX-USWWRNFRSA-N -1 1 317.353 0.429 20 0 DCADMM COC[C@@H](Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O)C(C)C ZINC001591379668 1167249443 /nfs/dbraw/zinc/24/94/43/1167249443.db2.gz RXPUYHSNWYEXTR-LLVKDONJSA-N -1 1 306.370 0.959 20 0 DCADMM COC[C@]1(C(=O)OC)CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001591385719 1167255252 /nfs/dbraw/zinc/25/52/52/1167255252.db2.gz CZTNUBQUTACGAV-AWEZNQCLSA-N -1 1 321.337 0.614 20 0 DCADMM COC[C@]1(C(=O)OC)CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001591385719 1167255256 /nfs/dbraw/zinc/25/52/56/1167255256.db2.gz CZTNUBQUTACGAV-AWEZNQCLSA-N -1 1 321.337 0.614 20 0 DCADMM COCC1(C2CCC2)CN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001591385196 1167255993 /nfs/dbraw/zinc/25/59/93/1167255993.db2.gz JDGKYZYQCOXZAX-UHFFFAOYSA-N -1 1 301.354 0.910 20 0 DCADMM COCC1(C2CCC2)CN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001591385196 1167255998 /nfs/dbraw/zinc/25/59/98/1167255998.db2.gz JDGKYZYQCOXZAX-UHFFFAOYSA-N -1 1 301.354 0.910 20 0 DCADMM COC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC001591395843 1167263233 /nfs/dbraw/zinc/26/32/33/1167263233.db2.gz LCPLFQRSZUQDSD-ZJUUUORDSA-N -1 1 305.342 0.205 20 0 DCADMM COC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC001591395843 1167263240 /nfs/dbraw/zinc/26/32/40/1167263240.db2.gz LCPLFQRSZUQDSD-ZJUUUORDSA-N -1 1 305.342 0.205 20 0 DCADMM COC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H](C)O1 ZINC001591396459 1167266673 /nfs/dbraw/zinc/26/66/73/1167266673.db2.gz XPVWFOJHYAITJD-RKDXNWHRSA-N -1 1 307.310 0.336 20 0 DCADMM COC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@@H](C)O1 ZINC001591396459 1167266680 /nfs/dbraw/zinc/26/66/80/1167266680.db2.gz XPVWFOJHYAITJD-RKDXNWHRSA-N -1 1 307.310 0.336 20 0 DCADMM COCCCCNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591412884 1167271783 /nfs/dbraw/zinc/27/17/83/1167271783.db2.gz YSUTZUKDBMZQQD-UHFFFAOYSA-N -1 1 311.371 0.549 20 0 DCADMM COCCCCNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591412884 1167271791 /nfs/dbraw/zinc/27/17/91/1167271791.db2.gz YSUTZUKDBMZQQD-UHFFFAOYSA-N -1 1 311.371 0.549 20 0 DCADMM COCCCOCCC(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001591417363 1167275264 /nfs/dbraw/zinc/27/52/64/1167275264.db2.gz YAKKUSYEKQBKKF-UHFFFAOYSA-N -1 1 323.357 0.290 20 0 DCADMM COCCCOCCC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001591417363 1167275273 /nfs/dbraw/zinc/27/52/73/1167275273.db2.gz YAKKUSYEKQBKKF-UHFFFAOYSA-N -1 1 323.357 0.290 20 0 DCADMM COCCNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591430352 1167284547 /nfs/dbraw/zinc/28/45/47/1167284547.db2.gz APMRVDCUBYBEGP-UHFFFAOYSA-N -1 1 303.735 0.745 20 0 DCADMM COCCOCCCOC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591438478 1167290357 /nfs/dbraw/zinc/29/03/57/1167290357.db2.gz RMCMNAYDVDNZSL-UHFFFAOYSA-N -1 1 321.337 0.401 20 0 DCADMM COCCOCCCOC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591438478 1167290363 /nfs/dbraw/zinc/29/03/63/1167290363.db2.gz RMCMNAYDVDNZSL-UHFFFAOYSA-N -1 1 321.337 0.401 20 0 DCADMM COCCn1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001591451376 1167290695 /nfs/dbraw/zinc/29/06/95/1167290695.db2.gz NROCTVOBWWEMJA-UHFFFAOYSA-N -1 1 303.282 0.555 20 0 DCADMM COCCn1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001591451376 1167290703 /nfs/dbraw/zinc/29/07/03/1167290703.db2.gz NROCTVOBWWEMJA-UHFFFAOYSA-N -1 1 303.282 0.555 20 0 DCADMM COCc1nc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cs1 ZINC001591460115 1167294365 /nfs/dbraw/zinc/29/43/65/1167294365.db2.gz KENFAARIKNYMAC-UHFFFAOYSA-N -1 1 306.311 0.445 20 0 DCADMM COCc1nc(CNc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001591459982 1167294402 /nfs/dbraw/zinc/29/44/02/1167294402.db2.gz PFRZMXMVYDXYSG-UHFFFAOYSA-N -1 1 304.339 0.294 20 0 DCADMM COCn1ncc(C)c1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001591464839 1167296305 /nfs/dbraw/zinc/29/63/05/1167296305.db2.gz XMZGIKYZEDYSQN-UHFFFAOYSA-N -1 1 320.382 0.722 20 0 DCADMM COCn1ncc(C)c1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001591464839 1167296312 /nfs/dbraw/zinc/29/63/12/1167296312.db2.gz XMZGIKYZEDYSQN-UHFFFAOYSA-N -1 1 320.382 0.722 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCCCCNC(C)=O ZINC001591475198 1167307585 /nfs/dbraw/zinc/30/75/85/1167307585.db2.gz SVEZNOMBUQNDAS-UHFFFAOYSA-N -1 1 320.353 0.343 20 0 DCADMM COc1c(C(=O)OCc2ccc(-c3nnn[n-]3)o2)cnn1C ZINC001591475799 1167307771 /nfs/dbraw/zinc/30/77/71/1167307771.db2.gz AYRAJBHNBDCJAJ-UHFFFAOYSA-N -1 1 304.266 0.559 20 0 DCADMM COc1c(C(=O)OCc2ccc(-c3nn[n-]n3)o2)cnn1C ZINC001591475799 1167307774 /nfs/dbraw/zinc/30/77/74/1167307774.db2.gz AYRAJBHNBDCJAJ-UHFFFAOYSA-N -1 1 304.266 0.559 20 0 DCADMM COc1cc(CN(C)c2cncc(-c3nnn[n-]3)n2)sn1 ZINC001591525828 1167321783 /nfs/dbraw/zinc/32/17/83/1167321783.db2.gz LFBSDVOSXOSDRZ-UHFFFAOYSA-N -1 1 304.339 0.758 20 0 DCADMM COc1cc(CN(C)c2cncc(-c3nn[n-]n3)n2)sn1 ZINC001591525828 1167321789 /nfs/dbraw/zinc/32/17/89/1167321789.db2.gz LFBSDVOSXOSDRZ-UHFFFAOYSA-N -1 1 304.339 0.758 20 0 DCADMM COc1coc(COc2cccnc2-c2nnn[n-]2)cc1=O ZINC001591659852 1167344545 /nfs/dbraw/zinc/34/45/45/1167344545.db2.gz MJLFDXIVWXQDEI-UHFFFAOYSA-N -1 1 301.262 0.803 20 0 DCADMM COc1coc(COc2cccnc2-c2nn[n-]n2)cc1=O ZINC001591659852 1167344546 /nfs/dbraw/zinc/34/45/46/1167344546.db2.gz MJLFDXIVWXQDEI-UHFFFAOYSA-N -1 1 301.262 0.803 20 0 DCADMM COc1ncc(NC(=O)N[C@@H](CO)C(C)C)cc1-c1nn[n-]n1 ZINC001591665689 1167346215 /nfs/dbraw/zinc/34/62/15/1167346215.db2.gz KSQDELTZMJXVTE-JTQLQIEISA-N -1 1 321.341 0.409 20 0 DCADMM C[S@](=O)C1(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591683768 1167353614 /nfs/dbraw/zinc/35/36/14/1167353614.db2.gz YXHUBCVREYVDES-QFIPXVFZSA-N -1 1 321.366 0.294 20 0 DCADMM C[S@](=O)C1(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591683768 1167353619 /nfs/dbraw/zinc/35/36/19/1167353619.db2.gz YXHUBCVREYVDES-QFIPXVFZSA-N -1 1 321.366 0.294 20 0 DCADMM CSCC(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001591691593 1167356163 /nfs/dbraw/zinc/35/61/63/1167356163.db2.gz GIFVQLNYNIEBBE-UHFFFAOYSA-N -1 1 316.350 0.749 20 0 DCADMM C[C@@H]1CC=CC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001591732116 1167364573 /nfs/dbraw/zinc/36/45/73/1167364573.db2.gz GDQPYSARKIDBLE-HTQZYQBOSA-N -1 1 303.326 0.433 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001591773732 1167371030 /nfs/dbraw/zinc/37/10/30/1167371030.db2.gz AWCLPZYVROOOEV-DTORHVGOSA-N -1 1 303.326 0.903 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001591773732 1167371044 /nfs/dbraw/zinc/37/10/44/1167371044.db2.gz AWCLPZYVROOOEV-DTORHVGOSA-N -1 1 303.326 0.903 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001591774909 1167373603 /nfs/dbraw/zinc/37/36/03/1167373603.db2.gz YVPSJYCWQSHENZ-IUCAKERBSA-N -1 1 302.342 0.183 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001591774909 1167373605 /nfs/dbraw/zinc/37/36/05/1167373605.db2.gz YVPSJYCWQSHENZ-IUCAKERBSA-N -1 1 302.342 0.183 20 0 DCADMM C[C@H]1COCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591774412 1167374009 /nfs/dbraw/zinc/37/40/09/1167374009.db2.gz HVVPXLLPZSETQF-ZETCQYMHSA-N -1 1 309.355 0.254 20 0 DCADMM C[C@H]1COCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591774412 1167374015 /nfs/dbraw/zinc/37/40/15/1167374015.db2.gz HVVPXLLPZSETQF-ZETCQYMHSA-N -1 1 309.355 0.254 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)COC2CCCC2)nn1C ZINC001591796350 1167381441 /nfs/dbraw/zinc/38/14/41/1167381441.db2.gz IXLHDTFQZHMTHY-UHFFFAOYSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)COC2CCCC2)nn1C ZINC001591796350 1167381445 /nfs/dbraw/zinc/38/14/45/1167381445.db2.gz IXLHDTFQZHMTHY-UHFFFAOYSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CCC(=O)[C@H](C)C2)nn1C ZINC001591798032 1167383772 /nfs/dbraw/zinc/38/37/72/1167383772.db2.gz DMGBEQITOKHVAI-APPZFPTMSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC(=O)[C@H](C)C2)nn1C ZINC001591798032 1167383778 /nfs/dbraw/zinc/38/37/78/1167383778.db2.gz DMGBEQITOKHVAI-APPZFPTMSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCCSC1 ZINC001591836171 1167391284 /nfs/dbraw/zinc/39/12/84/1167391284.db2.gz ZJEGGALHJDSBIV-MRVPVSSYSA-N -1 1 320.378 0.901 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(CCO)Cc2ccccc2)n1 ZINC001591884174 1167408559 /nfs/dbraw/zinc/40/85/59/1167408559.db2.gz RNPMYKUPQYAAFM-UHFFFAOYSA-N -1 1 311.349 0.964 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(CCO)Cc2ccccc2)n1 ZINC001591884174 1167408561 /nfs/dbraw/zinc/40/85/61/1167408561.db2.gz RNPMYKUPQYAAFM-UHFFFAOYSA-N -1 1 311.349 0.964 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@@H]2CC2CC2)n1 ZINC001591888803 1167410669 /nfs/dbraw/zinc/41/06/69/1167410669.db2.gz PCZMGKXNKBSMJT-NSHDSACASA-N -1 1 301.354 0.970 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@@H]2CC2CC2)n1 ZINC001591888803 1167410672 /nfs/dbraw/zinc/41/06/72/1167410672.db2.gz PCZMGKXNKBSMJT-NSHDSACASA-N -1 1 301.354 0.970 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(F)(F)[C@@H](CO)C2)n1 ZINC001591886268 1167410839 /nfs/dbraw/zinc/41/08/39/1167410839.db2.gz QTMYUHMNIRYEKX-MRVPVSSYSA-N -1 1 311.296 0.419 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(F)(F)[C@@H](CO)C2)n1 ZINC001591886268 1167410845 /nfs/dbraw/zinc/41/08/45/1167410845.db2.gz QTMYUHMNIRYEKX-MRVPVSSYSA-N -1 1 311.296 0.419 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC001591887914 1167411690 /nfs/dbraw/zinc/41/16/90/1167411690.db2.gz HEMSHZMEFFWKGD-KOLCDFICSA-N -1 1 315.337 0.505 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC001591887914 1167411692 /nfs/dbraw/zinc/41/16/92/1167411692.db2.gz HEMSHZMEFFWKGD-KOLCDFICSA-N -1 1 315.337 0.505 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCC[C@@H]2C(N)=O)n1 ZINC001591892835 1167413860 /nfs/dbraw/zinc/41/38/60/1167413860.db2.gz QKTHLLNHZQPHDF-IUCAKERBSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCC[C@@H]2C(N)=O)n1 ZINC001591892835 1167413861 /nfs/dbraw/zinc/41/38/61/1167413861.db2.gz QKTHLLNHZQPHDF-IUCAKERBSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H]3CCCCN3C2=O)n1 ZINC001591892946 1167414110 /nfs/dbraw/zinc/41/41/10/1167414110.db2.gz UUZZZCFODSJPBA-MWLCHTKSSA-N -1 1 314.353 0.530 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H]3CCCCN3C2=O)n1 ZINC001591892946 1167414112 /nfs/dbraw/zinc/41/41/12/1167414112.db2.gz UUZZZCFODSJPBA-MWLCHTKSSA-N -1 1 314.353 0.530 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC(=O)N2CCCCC2)n1 ZINC001591893644 1167414363 /nfs/dbraw/zinc/41/43/63/1167414363.db2.gz NFYAIBOWMZOIKM-UHFFFAOYSA-N -1 1 302.342 0.390 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC(=O)N2CCCCC2)n1 ZINC001591893644 1167414367 /nfs/dbraw/zinc/41/43/67/1167414367.db2.gz NFYAIBOWMZOIKM-UHFFFAOYSA-N -1 1 302.342 0.390 20 0 DCADMM Cc1cc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cs1 ZINC001591977657 1167427692 /nfs/dbraw/zinc/42/76/92/1167427692.db2.gz SUVLZIAESQQDCP-UHFFFAOYSA-N -1 1 304.335 0.145 20 0 DCADMM Cc1cc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)nc(C)n1 ZINC001591978187 1167428333 /nfs/dbraw/zinc/42/83/33/1167428333.db2.gz YMUNXGZPJIFILK-UHFFFAOYSA-N -1 1 323.360 0.972 20 0 DCADMM Cc1cc(N2CC[C@H](OC(=O)N(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001592002451 1167433154 /nfs/dbraw/zinc/43/31/54/1167433154.db2.gz VVNCCYWKRNHCMP-NSHDSACASA-N -1 1 317.353 0.847 20 0 DCADMM Cc1cc(N2CC[C@H](OC(=O)N(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001592002451 1167433159 /nfs/dbraw/zinc/43/31/59/1167433159.db2.gz VVNCCYWKRNHCMP-NSHDSACASA-N -1 1 317.353 0.847 20 0 DCADMM Cc1cc(N[C@H](C)C2(S(C)(=O)=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001592034562 1167442505 /nfs/dbraw/zinc/44/25/05/1167442505.db2.gz OTGRBKBQOMZOAV-SECBINFHSA-N -1 1 322.394 0.370 20 0 DCADMM Cc1cc(N[C@H](C)C2(S(C)(=O)=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001592034562 1167442510 /nfs/dbraw/zinc/44/25/10/1167442510.db2.gz OTGRBKBQOMZOAV-SECBINFHSA-N -1 1 322.394 0.370 20 0 DCADMM Cc1cc(NC[C@H](O)COCC2CC2)cc(-c2nnn[n-]2)n1 ZINC001592041836 1167445161 /nfs/dbraw/zinc/44/51/61/1167445161.db2.gz WLOJVMHCLRXCIS-LBPRGKRZSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1cc(NC[C@H](O)COCC2CC2)cc(-c2nn[n-]n2)n1 ZINC001592041836 1167445164 /nfs/dbraw/zinc/44/51/64/1167445164.db2.gz WLOJVMHCLRXCIS-LBPRGKRZSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1cc(NCc2nc(-c3nn[n-]n3)cs2)c(=O)n(C)c1 ZINC001592053667 1167446724 /nfs/dbraw/zinc/44/67/24/1167446724.db2.gz OCUWCLPIPWKLBP-UHFFFAOYSA-N -1 1 303.351 0.942 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001592114640 1167458657 /nfs/dbraw/zinc/45/86/57/1167458657.db2.gz RVJATLGYVMBHHM-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001592114640 1167458665 /nfs/dbraw/zinc/45/86/65/1167458665.db2.gz RVJATLGYVMBHHM-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](O)COCC1CC1 ZINC001592113032 1167458812 /nfs/dbraw/zinc/45/88/12/1167458812.db2.gz DADZUTOMEQEZHQ-LLVKDONJSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1ccc(NC[C@@H]2CN(C3CC3)C(=O)O2)nc1-c1nnn[n-]1 ZINC001592183344 1167471278 /nfs/dbraw/zinc/47/12/78/1167471278.db2.gz QJBMXQQVCFVVRK-SNVBAGLBSA-N -1 1 315.337 0.965 20 0 DCADMM Cc1ccc(NC[C@@H]2CN(C3CC3)C(=O)O2)nc1-c1nn[n-]n1 ZINC001592183344 1167471283 /nfs/dbraw/zinc/47/12/83/1167471283.db2.gz QJBMXQQVCFVVRK-SNVBAGLBSA-N -1 1 315.337 0.965 20 0 DCADMM Cc1ccc(NCCNC(=O)c2ccn[nH]2)nc1-c1nn[n-]n1 ZINC001592185498 1167474027 /nfs/dbraw/zinc/47/40/27/1167474027.db2.gz ACSDUQHOVTWSDP-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1ccc2ncnc(NCCn3cnc(-c4nn[n-]n4)n3)c2c1 ZINC001592211533 1167476389 /nfs/dbraw/zinc/47/63/89/1167476389.db2.gz FVDKNFNZIXCRJM-UHFFFAOYSA-N -1 1 322.336 0.822 20 0 DCADMM Cc1ccn(CN2CCCOC[C@H]2C)c(=O)c1-c1nn[n-]n1 ZINC001592266484 1167480425 /nfs/dbraw/zinc/48/04/25/1167480425.db2.gz CYXBEYBYSXBNNP-LLVKDONJSA-N -1 1 304.354 0.405 20 0 DCADMM Cc1cccn2c(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cnc12 ZINC001592261246 1167480551 /nfs/dbraw/zinc/48/05/51/1167480551.db2.gz ZLANAJNUGUXKJL-UHFFFAOYSA-N -1 1 324.308 0.053 20 0 DCADMM Cc1ccn2cnnc2c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592269175 1167480662 /nfs/dbraw/zinc/48/06/62/1167480662.db2.gz LEQWSEKSJWSOLW-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1ccn2cnnc2c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592269175 1167480666 /nfs/dbraw/zinc/48/06/66/1167480666.db2.gz LEQWSEKSJWSOLW-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1cnc(Cl)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001592295214 1167485717 /nfs/dbraw/zinc/48/57/17/1167485717.db2.gz UDPPQGCDASHOLO-UHFFFAOYSA-N -1 1 304.701 0.691 20 0 DCADMM Cc1cnccc1CCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001592302271 1167486089 /nfs/dbraw/zinc/48/60/89/1167486089.db2.gz ZYVKMPGEUCAGRI-UHFFFAOYSA-N -1 1 311.349 0.986 20 0 DCADMM Cc1coc(C(=O)NCCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001592308866 1167487127 /nfs/dbraw/zinc/48/71/27/1167487127.db2.gz XSKUJELHZRCKGT-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1coc(C(=O)NCCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001592308866 1167487131 /nfs/dbraw/zinc/48/71/31/1167487131.db2.gz XSKUJELHZRCKGT-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1cnn(C)c1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592302336 1167487565 /nfs/dbraw/zinc/48/75/65/1167487565.db2.gz CZYYOPBDKHNDHM-UHFFFAOYSA-N -1 1 305.323 0.722 20 0 DCADMM Cc1cnn(C)c1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592302336 1167487570 /nfs/dbraw/zinc/48/75/70/1167487570.db2.gz CZYYOPBDKHNDHM-UHFFFAOYSA-N -1 1 305.323 0.722 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cc(C=O)oc2C)c1-c1nn[n-]n1 ZINC001592329571 1167491243 /nfs/dbraw/zinc/49/12/43/1167491243.db2.gz AFDCBAZPVIOOFM-UHFFFAOYSA-N -1 1 301.266 0.864 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(C(=O)OC(C)(C)C)C2)n1 ZINC001592338149 1167494174 /nfs/dbraw/zinc/49/41/74/1167494174.db2.gz VMESNSWMVHBHRH-UHFFFAOYSA-N -1 1 317.353 0.743 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(C(=O)OC(C)(C)C)C2)n1 ZINC001592338149 1167494178 /nfs/dbraw/zinc/49/41/78/1167494178.db2.gz VMESNSWMVHBHRH-UHFFFAOYSA-N -1 1 317.353 0.743 20 0 DCADMM Cc1nc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)[nH]c1C ZINC001592362157 1167505016 /nfs/dbraw/zinc/50/50/16/1167505016.db2.gz FPXZYZMYPAZKTI-UHFFFAOYSA-N -1 1 312.337 0.461 20 0 DCADMM Cc1nc(NCC2CCS(=O)(=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001592387768 1167512607 /nfs/dbraw/zinc/51/26/07/1167512607.db2.gz PQYKXTYCHKZJMY-UHFFFAOYSA-N -1 1 323.382 0.202 20 0 DCADMM Cc1nc(NCC2CCS(=O)(=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001592387768 1167512610 /nfs/dbraw/zinc/51/26/10/1167512610.db2.gz PQYKXTYCHKZJMY-UHFFFAOYSA-N -1 1 323.382 0.202 20 0 DCADMM Cc1nc(Nc2cnn3c2NC[C@@H](C)C3)cc(-c2nnn[n-]2)n1 ZINC001592398414 1167512783 /nfs/dbraw/zinc/51/27/83/1167512783.db2.gz AYXUPOHDZKZQOD-SSDOTTSWSA-N -1 1 312.341 0.967 20 0 DCADMM Cc1nc(Nc2cnn3c2NC[C@@H](C)C3)cc(-c2nn[n-]n2)n1 ZINC001592398414 1167512786 /nfs/dbraw/zinc/51/27/86/1167512786.db2.gz AYXUPOHDZKZQOD-SSDOTTSWSA-N -1 1 312.341 0.967 20 0 DCADMM Cc1ncccc1CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592417190 1167516955 /nfs/dbraw/zinc/51/69/55/1167516955.db2.gz DMJZOIUPVCHFEE-UHFFFAOYSA-N -1 1 309.333 0.824 20 0 DCADMM Cc1ncccc1CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592417190 1167516959 /nfs/dbraw/zinc/51/69/59/1167516959.db2.gz DMJZOIUPVCHFEE-UHFFFAOYSA-N -1 1 309.333 0.824 20 0 DCADMM Cc1nccnc1CCNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592419475 1167518531 /nfs/dbraw/zinc/51/85/31/1167518531.db2.gz IHBCHLSOFQHWTE-UHFFFAOYSA-N -1 1 310.321 0.333 20 0 DCADMM Cc1nccnc1CCNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592419475 1167518539 /nfs/dbraw/zinc/51/85/39/1167518539.db2.gz IHBCHLSOFQHWTE-UHFFFAOYSA-N -1 1 310.321 0.333 20 0 DCADMM Cc1noc(C)c1[C@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592456199 1167528901 /nfs/dbraw/zinc/52/89/01/1167528901.db2.gz ABMGWKJVCAVCJA-YFKPBYRVSA-N -1 1 302.298 0.694 20 0 DCADMM Cc1noc2ncc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cc12 ZINC001592462250 1167532184 /nfs/dbraw/zinc/53/21/84/1167532184.db2.gz CYDDFMFJLGIYTC-UHFFFAOYSA-N -1 1 311.265 0.179 20 0 DCADMM Cc1noc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)n1 ZINC001592462295 1167532280 /nfs/dbraw/zinc/53/22/80/1167532280.db2.gz HDJQCEYYJYFXPT-UHFFFAOYSA-N -1 1 309.289 0.921 20 0 DCADMM Cc1nsc(N(C)Cc2nnc3n2CCC3)c1-c1nn[n-]n1 ZINC001592469146 1167533001 /nfs/dbraw/zinc/53/30/01/1167533001.db2.gz IWIVGLNFEXIDEF-UHFFFAOYSA-N -1 1 317.382 0.806 20 0 DCADMM Cc1nsc(NC(=O)N(CCO)C2CC2)c1-c1nnn[n-]1 ZINC001592480229 1167534177 /nfs/dbraw/zinc/53/41/77/1167534177.db2.gz UTBVAMHIKKPPSL-UHFFFAOYSA-N -1 1 309.355 0.620 20 0 DCADMM Cc1nsc(NC(=O)N(CCO)C2CC2)c1-c1nn[n-]n1 ZINC001592480229 1167534183 /nfs/dbraw/zinc/53/41/83/1167534183.db2.gz UTBVAMHIKKPPSL-UHFFFAOYSA-N -1 1 309.355 0.620 20 0 DCADMM Cc1nsc(N2CCC[C@@H](CNC(N)=O)C2)c1-c1nn[n-]n1 ZINC001592475131 1167535037 /nfs/dbraw/zinc/53/50/37/1167535037.db2.gz SVKHCRHCLOAPCN-QMMMGPOBSA-N -1 1 322.398 0.516 20 0 DCADMM Cc1nsc(N[C@H]2CCc3nnnn3CC2)c1-c1nn[n-]n1 ZINC001592486615 1167537956 /nfs/dbraw/zinc/53/79/56/1167537956.db2.gz OZHYEXPLKNPTKJ-ZETCQYMHSA-N -1 1 318.370 0.435 20 0 DCADMM Cc1nsc(N[C@H](CO)Cc2cnn(C)c2)c1-c1nn[n-]n1 ZINC001592482554 1167538632 /nfs/dbraw/zinc/53/86/32/1167538632.db2.gz AHNAHBNIGZHZOY-VIFPVBQESA-N -1 1 320.382 0.381 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@H](C)[S@@](C)=O ZINC001592502196 1167542579 /nfs/dbraw/zinc/54/25/79/1167542579.db2.gz MCFDXPRMFZOWEB-MWAODPMSSA-N -1 1 311.367 0.655 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@H](C)[S@@](C)=O ZINC001592502196 1167542585 /nfs/dbraw/zinc/54/25/85/1167542585.db2.gz MCFDXPRMFZOWEB-MWAODPMSSA-N -1 1 311.367 0.655 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CSC2(C)C)c1-c1nnn[n-]1 ZINC001592517786 1167546837 /nfs/dbraw/zinc/54/68/37/1167546837.db2.gz QISJKPYEWCCDJZ-MRVPVSSYSA-N -1 1 308.367 0.716 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CSC2(C)C)c1-c1nn[n-]n1 ZINC001592517786 1167546840 /nfs/dbraw/zinc/54/68/40/1167546840.db2.gz QISJKPYEWCCDJZ-MRVPVSSYSA-N -1 1 308.367 0.716 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H](O)C23CCC3)c1-c1nnn[n-]1 ZINC001592517590 1167548330 /nfs/dbraw/zinc/54/83/30/1167548330.db2.gz NAHSNRBLPOHWGN-ZJUUUORDSA-N -1 1 318.337 0.125 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H](O)C23CCC3)c1-c1nn[n-]n1 ZINC001592517590 1167548338 /nfs/dbraw/zinc/54/83/38/1167548338.db2.gz NAHSNRBLPOHWGN-ZJUUUORDSA-N -1 1 318.337 0.125 20 0 DCADMM Cn1c(=O)[nH]c(Oc2ccc(F)cc2)c(-c2nn[n-]n2)c1=O ZINC001592545462 1167550166 /nfs/dbraw/zinc/55/01/66/1167550166.db2.gz YRXJBTCCGHQBNJ-UHFFFAOYSA-N -1 1 304.241 0.185 20 0 DCADMM Cn1c(CNc2ncncc2-c2nn[n-]n2)nnc1C1CCC1 ZINC001592552527 1167559035 /nfs/dbraw/zinc/55/90/35/1167559035.db2.gz GYTUEEZROCKUSD-UHFFFAOYSA-N -1 1 312.341 0.665 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC001592560066 1167560486 /nfs/dbraw/zinc/56/04/86/1167560486.db2.gz WPCUGYYOAIQVJB-IWSPIJDZSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC001592560066 1167560491 /nfs/dbraw/zinc/56/04/91/1167560491.db2.gz WPCUGYYOAIQVJB-IWSPIJDZSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H]2C(F)(F)F)n1 ZINC001592559456 1167560578 /nfs/dbraw/zinc/56/05/78/1167560578.db2.gz RETNCGJMNYDJGH-ZCFIWIBFSA-N -1 1 316.247 0.769 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H]2C(F)(F)F)n1 ZINC001592559456 1167560582 /nfs/dbraw/zinc/56/05/82/1167560582.db2.gz RETNCGJMNYDJGH-ZCFIWIBFSA-N -1 1 316.247 0.769 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC[C@@H]2CC2(F)F)n1 ZINC001592559860 1167561617 /nfs/dbraw/zinc/56/16/17/1167561617.db2.gz MKAOHCFTSGAAHO-ZCFIWIBFSA-N -1 1 312.284 0.767 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC[C@@H]2CC2(F)F)n1 ZINC001592559860 1167561623 /nfs/dbraw/zinc/56/16/23/1167561623.db2.gz MKAOHCFTSGAAHO-ZCFIWIBFSA-N -1 1 312.284 0.767 20 0 DCADMM Cn1cc(C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001592571300 1167566782 /nfs/dbraw/zinc/56/67/82/1167566782.db2.gz WVOIZISJTMVJOB-SNVBAGLBSA-N -1 1 311.353 0.459 20 0 DCADMM Cn1cc(C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001592571300 1167566787 /nfs/dbraw/zinc/56/67/87/1167566787.db2.gz WVOIZISJTMVJOB-SNVBAGLBSA-N -1 1 311.353 0.459 20 0 DCADMM Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592577604 1167568466 /nfs/dbraw/zinc/56/84/66/1167568466.db2.gz JLCFBYOPUQWITP-SSDOTTSWSA-N -1 1 313.325 0.382 20 0 DCADMM Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592577604 1167568468 /nfs/dbraw/zinc/56/84/68/1167568468.db2.gz JLCFBYOPUQWITP-SSDOTTSWSA-N -1 1 313.325 0.382 20 0 DCADMM Cn1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592580687 1167569061 /nfs/dbraw/zinc/56/90/61/1167569061.db2.gz YGKHVGRIFVDQHQ-UHFFFAOYSA-N -1 1 304.339 0.983 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592591428 1167576949 /nfs/dbraw/zinc/57/69/49/1167576949.db2.gz RQSZXKIXUTXJNX-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592591428 1167576954 /nfs/dbraw/zinc/57/69/54/1167576954.db2.gz RQSZXKIXUTXJNX-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM FC(F)CN1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001592625307 1167587730 /nfs/dbraw/zinc/58/77/30/1167587730.db2.gz SMXNUZMJPGWAFC-UHFFFAOYSA-N -1 1 310.312 0.434 20 0 DCADMM FC(F)CN1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001592625307 1167587734 /nfs/dbraw/zinc/58/77/34/1167587734.db2.gz SMXNUZMJPGWAFC-UHFFFAOYSA-N -1 1 310.312 0.434 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592726162 1167615538 /nfs/dbraw/zinc/61/55/38/1167615538.db2.gz VBZMGFVZABNOMF-VIFPVBQESA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592726162 1167615541 /nfs/dbraw/zinc/61/55/41/1167615541.db2.gz VBZMGFVZABNOMF-VIFPVBQESA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592729548 1167619117 /nfs/dbraw/zinc/61/91/17/1167619117.db2.gz BFQDLADTUVDDNO-GFCCVEGCSA-N -1 1 309.333 0.712 20 0 DCADMM NC(=O)C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592729548 1167619123 /nfs/dbraw/zinc/61/91/23/1167619123.db2.gz BFQDLADTUVDDNO-GFCCVEGCSA-N -1 1 309.333 0.712 20 0 DCADMM NC(=O)[C@@H]1Cc2ccccc2CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001592735465 1167621658 /nfs/dbraw/zinc/62/16/58/1167621658.db2.gz UVSPWTXYANTBPO-LBPRGKRZSA-N -1 1 322.332 0.073 20 0 DCADMM NC(=O)[C@@H]1Cc2ccccc2CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001592735465 1167621662 /nfs/dbraw/zinc/62/16/62/1167621662.db2.gz UVSPWTXYANTBPO-LBPRGKRZSA-N -1 1 322.332 0.073 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(F)c(C=O)c1 ZINC001592752796 1167630845 /nfs/dbraw/zinc/63/08/45/1167630845.db2.gz FJHCJYLPMDTHQH-UHFFFAOYSA-N -1 1 301.241 0.286 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCOC2(CCC2)C1 ZINC001592753958 1167633879 /nfs/dbraw/zinc/63/38/79/1167633879.db2.gz IXKMXLTWOHOBKI-QMMMGPOBSA-N -1 1 303.326 0.635 20 0 DCADMM O=C(C1CC1)[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001592773929 1167641022 /nfs/dbraw/zinc/64/10/22/1167641022.db2.gz OMERTHHSMOGWLJ-JTQLQIEISA-N -1 1 320.378 0.503 20 0 DCADMM O=C(C1CC1)[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001592773929 1167641026 /nfs/dbraw/zinc/64/10/26/1167641026.db2.gz OMERTHHSMOGWLJ-JTQLQIEISA-N -1 1 320.378 0.503 20 0 DCADMM O=C(/C=C\C1CCCC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592790113 1167642810 /nfs/dbraw/zinc/64/28/10/1167642810.db2.gz GYRLAESRRCXAGD-WAYWQWQTSA-N -1 1 302.342 0.321 20 0 DCADMM O=C(CC1CCC1)NCCNc1nccnc1-c1nnn[n-]1 ZINC001592819679 1167644929 /nfs/dbraw/zinc/64/49/29/1167644929.db2.gz ISGXADMLZPNBDI-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(CC1CCC1)NCCNc1nccnc1-c1nn[n-]n1 ZINC001592819679 1167644932 /nfs/dbraw/zinc/64/49/32/1167644932.db2.gz ISGXADMLZPNBDI-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(CCCF)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592836295 1167648057 /nfs/dbraw/zinc/64/80/57/1167648057.db2.gz HCJBXVGHCVPHPV-UPHRSURJSA-N -1 1 320.332 0.491 20 0 DCADMM O=C(CCCF)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592836295 1167648060 /nfs/dbraw/zinc/64/80/60/1167648060.db2.gz HCJBXVGHCVPHPV-UPHRSURJSA-N -1 1 320.332 0.491 20 0 DCADMM O=C(CCOC[C@@H]1CCCO1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592848560 1167649626 /nfs/dbraw/zinc/64/96/26/1167649626.db2.gz REGCFKLPMHZZGP-QMMMGPOBSA-N -1 1 307.314 0.114 20 0 DCADMM O=C(CCOC[C@@H]1CCCO1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592848560 1167649629 /nfs/dbraw/zinc/64/96/29/1167649629.db2.gz REGCFKLPMHZZGP-QMMMGPOBSA-N -1 1 307.314 0.114 20 0 DCADMM O=C(CCn1cncn1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592862139 1167651561 /nfs/dbraw/zinc/65/15/61/1167651561.db2.gz XZIIFNYZJDGOAL-UHFFFAOYSA-N -1 1 314.313 0.088 20 0 DCADMM O=C(CNc1cc(-c2nnn[n-]2)ncn1)OC1CCCCC1 ZINC001592874515 1167654532 /nfs/dbraw/zinc/65/45/32/1167654532.db2.gz CHCYAEQWXHCZFO-UHFFFAOYSA-N -1 1 303.326 0.945 20 0 DCADMM O=C(CNc1cc(-c2nn[n-]n2)ncn1)OC1CCCCC1 ZINC001592874515 1167654534 /nfs/dbraw/zinc/65/45/34/1167654534.db2.gz CHCYAEQWXHCZFO-UHFFFAOYSA-N -1 1 303.326 0.945 20 0 DCADMM O=C(COc1ccsn1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592900017 1167660788 /nfs/dbraw/zinc/66/07/88/1167660788.db2.gz NXDVHACCTKHIPW-UHFFFAOYSA-N -1 1 323.363 0.475 20 0 DCADMM O=C(COc1ccsn1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592900017 1167660791 /nfs/dbraw/zinc/66/07/91/1167660791.db2.gz NXDVHACCTKHIPW-UHFFFAOYSA-N -1 1 323.363 0.475 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCC1(O)CCC1 ZINC001592913998 1167662750 /nfs/dbraw/zinc/66/27/50/1167662750.db2.gz MZTQYRJEBMEHKZ-UHFFFAOYSA-N -1 1 302.338 0.226 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCC1(O)CCC1 ZINC001592913998 1167662755 /nfs/dbraw/zinc/66/27/55/1167662755.db2.gz MZTQYRJEBMEHKZ-UHFFFAOYSA-N -1 1 302.338 0.226 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)c1cccc(Cl)c1 ZINC001592941740 1167669726 /nfs/dbraw/zinc/66/97/26/1167669726.db2.gz SGAXGOLOTVSBNZ-UHFFFAOYSA-N -1 1 316.708 0.960 20 0 DCADMM O=C(N[C@@]1(CCO)CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001592956969 1167674027 /nfs/dbraw/zinc/67/40/27/1167674027.db2.gz QDKNUPQONVPYIH-LBPRGKRZSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(NC1CC1)N[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592967492 1167677229 /nfs/dbraw/zinc/67/72/29/1167677229.db2.gz PDWLCBLXDNATJA-SNVBAGLBSA-N -1 1 314.353 0.302 20 0 DCADMM O=C(NC1CC1)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592967492 1167677231 /nfs/dbraw/zinc/67/72/31/1167677231.db2.gz PDWLCBLXDNATJA-SNVBAGLBSA-N -1 1 314.353 0.302 20 0 DCADMM O=C(N[C@@H]1CCCC2(C1)OCCO2)c1coc(-c2nnn[n-]2)c1 ZINC001592977689 1167679124 /nfs/dbraw/zinc/67/91/24/1167679124.db2.gz JASIXYOGQSBFQG-SNVBAGLBSA-N -1 1 319.321 0.875 20 0 DCADMM O=C(N[C@@H]1CCCC2(C1)OCCO2)c1coc(-c2nn[n-]n2)c1 ZINC001592977689 1167679128 /nfs/dbraw/zinc/67/91/28/1167679128.db2.gz JASIXYOGQSBFQG-SNVBAGLBSA-N -1 1 319.321 0.875 20 0 DCADMM O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001593006531 1167686495 /nfs/dbraw/zinc/68/64/95/1167686495.db2.gz LOQKOBYODKYGCU-BDAKNGLRSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1ccsc1-c1nn[n-]n1 ZINC001593006531 1167686498 /nfs/dbraw/zinc/68/64/98/1167686498.db2.gz LOQKOBYODKYGCU-BDAKNGLRSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@@H](CO)[C@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001593006533 1167686615 /nfs/dbraw/zinc/68/66/15/1167686615.db2.gz LOQKOBYODKYGCU-IUCAKERBSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@@H](CO)[C@H]1CCOC1)c1ccsc1-c1nn[n-]n1 ZINC001593006533 1167686617 /nfs/dbraw/zinc/68/66/17/1167686617.db2.gz LOQKOBYODKYGCU-IUCAKERBSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@H]1CC[C@H](O)C1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593029431 1167690341 /nfs/dbraw/zinc/69/03/41/1167690341.db2.gz KDDCLHWEYOSPAV-WPRPVWTQSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@H]1CC[C@H](O)C1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593029431 1167690349 /nfs/dbraw/zinc/69/03/49/1167690349.db2.gz KDDCLHWEYOSPAV-WPRPVWTQSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCC=CCNc1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001593053938 1167694881 /nfs/dbraw/zinc/69/48/81/1167694881.db2.gz XVUPCAARELDCOU-UPHRSURJSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCC=CCNc1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001593053938 1167694886 /nfs/dbraw/zinc/69/48/86/1167694886.db2.gz XVUPCAARELDCOU-UPHRSURJSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCOC[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC001593097588 1167708330 /nfs/dbraw/zinc/70/83/30/1167708330.db2.gz ZMXLQTHLNPHMAX-JTQLQIEISA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCOC[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC001593097588 1167708335 /nfs/dbraw/zinc/70/83/35/1167708335.db2.gz ZMXLQTHLNPHMAX-JTQLQIEISA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC001593111846 1167713412 /nfs/dbraw/zinc/71/34/12/1167713412.db2.gz AGPUMCOIKYAXGB-UHFFFAOYSA-N -1 1 318.728 0.542 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cn(C2CC2)nn1 ZINC001593146426 1167724938 /nfs/dbraw/zinc/72/49/38/1167724938.db2.gz OOSMMUUQNCHTDX-UHFFFAOYSA-N -1 1 311.309 0.118 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cn(C2CC2)nn1 ZINC001593146426 1167724945 /nfs/dbraw/zinc/72/49/45/1167724945.db2.gz OOSMMUUQNCHTDX-UHFFFAOYSA-N -1 1 311.309 0.118 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cn2c(n1)CCC2 ZINC001593152156 1167725851 /nfs/dbraw/zinc/72/58/51/1167725851.db2.gz ZOBDNUUSMUPWDW-UHFFFAOYSA-N -1 1 316.350 0.396 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cn2c(n1)CCC2 ZINC001593152156 1167725856 /nfs/dbraw/zinc/72/58/56/1167725856.db2.gz ZOBDNUUSMUPWDW-UHFFFAOYSA-N -1 1 316.350 0.396 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCCOCC1 ZINC001593150213 1167726216 /nfs/dbraw/zinc/72/62/16/1167726216.db2.gz UXWKCMKEFWPLBN-MRVPVSSYSA-N -1 1 308.367 0.756 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCCOCC1 ZINC001593150213 1167726222 /nfs/dbraw/zinc/72/62/22/1167726222.db2.gz UXWKCMKEFWPLBN-MRVPVSSYSA-N -1 1 308.367 0.756 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001593191804 1167731639 /nfs/dbraw/zinc/73/16/39/1167731639.db2.gz PEBCYXPKXIAPBZ-KYZUINATSA-N -1 1 300.326 0.126 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001593191804 1167731647 /nfs/dbraw/zinc/73/16/47/1167731647.db2.gz PEBCYXPKXIAPBZ-KYZUINATSA-N -1 1 300.326 0.126 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@]1(F)CCOC1 ZINC001593196447 1167736871 /nfs/dbraw/zinc/73/68/71/1167736871.db2.gz OLGPEMFZBFSCIZ-GFCCVEGCSA-N -1 1 307.289 0.534 20 0 DCADMM O=C([N-]c1n[nH]c(-c2cccc(-c3nn[nH]n3)c2)n1)c1ccon1 ZINC001593259778 1167745989 /nfs/dbraw/zinc/74/59/89/1167745989.db2.gz IDNFPCGEVPPNPC-UHFFFAOYSA-N -1 1 323.276 0.892 20 0 DCADMM O=C([O-])[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)n1)CC1CC1 ZINC001593276025 1167752894 /nfs/dbraw/zinc/75/28/94/1167752894.db2.gz IRYVJODPTBBEND-JTQLQIEISA-N -1 1 302.338 0.852 20 0 DCADMM O=C([O-])[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)n1)CC1CC1 ZINC001593276025 1167752900 /nfs/dbraw/zinc/75/29/00/1167752900.db2.gz IRYVJODPTBBEND-JTQLQIEISA-N -1 1 302.338 0.852 20 0 DCADMM O=C(O[C@H]1CCN(C2CC2)C1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593282150 1167758095 /nfs/dbraw/zinc/75/80/95/1167758095.db2.gz XADQAAJULRACIL-VIFPVBQESA-N -1 1 303.278 0.380 20 0 DCADMM O=C(OCC[C@@H]1CCCNC1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593286948 1167759949 /nfs/dbraw/zinc/75/99/49/1167759949.db2.gz AAWFXCSDPFSEOP-QMMMGPOBSA-N -1 1 305.294 0.533 20 0 DCADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1C[C@H](O)C2(CC2)C1 ZINC001593313840 1167767570 /nfs/dbraw/zinc/76/75/70/1167767570.db2.gz GVCJUXVUJVZUQN-NSHDSACASA-N -1 1 324.344 0.945 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCO[C@H]2C[C@H]21 ZINC001593328017 1167772205 /nfs/dbraw/zinc/77/22/05/1167772205.db2.gz YYXKAEXQJZQZNX-ZJUUUORDSA-N -1 1 307.260 0.758 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCO[C@H]2C[C@H]21 ZINC001593328017 1167772210 /nfs/dbraw/zinc/77/22/10/1167772210.db2.gz YYXKAEXQJZQZNX-ZJUUUORDSA-N -1 1 307.260 0.758 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@]2(CCOC2=O)C1 ZINC001593338085 1167778238 /nfs/dbraw/zinc/77/82/38/1167778238.db2.gz KFTKCXHUBSBSJX-ZDUSSCGKSA-N -1 1 319.346 0.707 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@]2(CCOC2=O)C1 ZINC001593338085 1167778242 /nfs/dbraw/zinc/77/82/42/1167778242.db2.gz KFTKCXHUBSBSJX-ZDUSSCGKSA-N -1 1 319.346 0.707 20 0 DCADMM O=C(c1ccc[nH]1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001593346735 1167782854 /nfs/dbraw/zinc/78/28/54/1167782854.db2.gz WHQIUSXIWQOYPF-UHFFFAOYSA-N -1 1 324.348 0.552 20 0 DCADMM O=C(c1ccc[nH]1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001593346735 1167782865 /nfs/dbraw/zinc/78/28/65/1167782865.db2.gz WHQIUSXIWQOYPF-UHFFFAOYSA-N -1 1 324.348 0.552 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H](CCO)C1 ZINC001593358140 1167784517 /nfs/dbraw/zinc/78/45/17/1167784517.db2.gz CNFOVEYEDKZJTH-SNVBAGLBSA-N -1 1 302.338 0.496 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H](CCO)C1 ZINC001593358140 1167784521 /nfs/dbraw/zinc/78/45/21/1167784521.db2.gz CNFOVEYEDKZJTH-SNVBAGLBSA-N -1 1 302.338 0.496 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCOCC2(CC2)C1 ZINC001593358870 1167786099 /nfs/dbraw/zinc/78/60/99/1167786099.db2.gz RJNJOXIPTDYESP-UHFFFAOYSA-N -1 1 300.322 0.514 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCOCC2(CC2)C1 ZINC001593358870 1167786106 /nfs/dbraw/zinc/78/61/06/1167786106.db2.gz RJNJOXIPTDYESP-UHFFFAOYSA-N -1 1 300.322 0.514 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCCC2(C1)OCCO2 ZINC001593362320 1167786365 /nfs/dbraw/zinc/78/63/65/1167786365.db2.gz MAJIZWTYFHYBIU-UHFFFAOYSA-N -1 1 321.362 0.907 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCCC2(C1)OCCO2 ZINC001593362320 1167786370 /nfs/dbraw/zinc/78/63/70/1167786370.db2.gz MAJIZWTYFHYBIU-UHFFFAOYSA-N -1 1 321.362 0.907 20 0 DCADMM O=C1CC[C@H](Sc2cccc(F)c2-c2nn[n-]n2)C(=O)N1 ZINC001593389873 1167800173 /nfs/dbraw/zinc/80/01/73/1167800173.db2.gz GTIWDRMVJNGMPO-QMMMGPOBSA-N -1 1 307.310 0.903 20 0 DCADMM O=C1CCCN1C[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001593392459 1167806904 /nfs/dbraw/zinc/80/69/04/1167806904.db2.gz YDRVOZAPIWIKPV-NSHDSACASA-N -1 1 313.365 0.710 20 0 DCADMM O=C1CCCN1C[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001593392459 1167806911 /nfs/dbraw/zinc/80/69/11/1167806911.db2.gz YDRVOZAPIWIKPV-NSHDSACASA-N -1 1 313.365 0.710 20 0 DCADMM O=C1NCC2(CCN(Cc3nc(-c4nnn[n-]4)cs3)CC2)O1 ZINC001593404502 1167813741 /nfs/dbraw/zinc/81/37/41/1167813741.db2.gz AUFFZIGVPWINOJ-UHFFFAOYSA-N -1 1 321.366 0.398 20 0 DCADMM O=C1NCC2(CCN(Cc3nc(-c4nn[n-]n4)cs3)CC2)O1 ZINC001593404502 1167813747 /nfs/dbraw/zinc/81/37/47/1167813747.db2.gz AUFFZIGVPWINOJ-UHFFFAOYSA-N -1 1 321.366 0.398 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001593411111 1167821756 /nfs/dbraw/zinc/82/17/56/1167821756.db2.gz XOWFKCHNXZNTJN-BDAKNGLRSA-N -1 1 318.293 0.030 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001593411111 1167821774 /nfs/dbraw/zinc/82/17/74/1167821774.db2.gz XOWFKCHNXZNTJN-BDAKNGLRSA-N -1 1 318.293 0.030 20 0 DCADMM O=C1OCCN1C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001593414705 1167827878 /nfs/dbraw/zinc/82/78/78/1167827878.db2.gz LOGSCFHPKRWOPI-JTQLQIEISA-N -1 1 315.337 0.540 20 0 DCADMM O=C1OCCN1C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001593414705 1167827894 /nfs/dbraw/zinc/82/78/94/1167827894.db2.gz LOGSCFHPKRWOPI-JTQLQIEISA-N -1 1 315.337 0.540 20 0 DCADMM O=S(=O)(NCC1CC=CC1)c1cccnc1-c1nn[n-]n1 ZINC001593438801 1167841433 /nfs/dbraw/zinc/84/14/33/1167841433.db2.gz MLPTYBRIRAPRSP-UHFFFAOYSA-N -1 1 306.351 0.506 20 0 DCADMM O=S(=O)(N[C@@H]1CCC[C@H]1O)c1ccc(-c2nnn[n-]2)s1 ZINC001593444430 1167845211 /nfs/dbraw/zinc/84/52/11/1167845211.db2.gz ONPMXGABTBXKNV-RNFRBKRXSA-N -1 1 315.380 0.120 20 0 DCADMM O=S(=O)(N[C@@H]1CCC[C@H]1O)c1ccc(-c2nn[n-]n2)s1 ZINC001593444430 1167845221 /nfs/dbraw/zinc/84/52/21/1167845221.db2.gz ONPMXGABTBXKNV-RNFRBKRXSA-N -1 1 315.380 0.120 20 0 DCADMM O=c1ccccn1Cc1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001593497969 1167879859 /nfs/dbraw/zinc/87/98/59/1167879859.db2.gz UOIROBIBAYLAPR-UHFFFAOYSA-N -1 1 322.288 0.522 20 0 DCADMM O=c1ccccn1Cc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001593497969 1167879866 /nfs/dbraw/zinc/87/98/66/1167879866.db2.gz UOIROBIBAYLAPR-UHFFFAOYSA-N -1 1 322.288 0.522 20 0 DCADMM O[C@H](CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1c[nH]cn1 ZINC001593506121 1167885734 /nfs/dbraw/zinc/88/57/34/1167885734.db2.gz GZGAUPXYHILEND-SNVBAGLBSA-N -1 1 313.325 0.403 20 0 DCADMM OC[C@@H](CNc1nccnc1-c1nnn[n-]1)CC1CCOCC1 ZINC001593522630 1167898491 /nfs/dbraw/zinc/89/84/91/1167898491.db2.gz GAXUXIVQZWIQDY-LLVKDONJSA-N -1 1 319.369 0.494 20 0 DCADMM OC[C@@H](CNc1nccnc1-c1nn[n-]n1)CC1CCOCC1 ZINC001593522630 1167898496 /nfs/dbraw/zinc/89/84/96/1167898496.db2.gz GAXUXIVQZWIQDY-LLVKDONJSA-N -1 1 319.369 0.494 20 0 DCADMM c1cc(=N[C@@H]2CCOC3(CCOCC3)C2)nc(-c2nn[n-]n2)[nH]1 ZINC001593558992 1167935867 /nfs/dbraw/zinc/93/58/67/1167935867.db2.gz RTASMRVLQIFFAT-SNVBAGLBSA-N -1 1 317.353 0.219 20 0 DCADMM c1cc(CO[C@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)ccn1 ZINC001593557340 1167936469 /nfs/dbraw/zinc/93/64/69/1167936469.db2.gz QBAYPXGIGQYGNH-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM c1cc(CO[C@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)ccn1 ZINC001593557340 1167936477 /nfs/dbraw/zinc/93/64/77/1167936477.db2.gz QBAYPXGIGQYGNH-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM c1cc(NCc2nnc3n2CCCCC3)cc(-c2nnn[n-]2)n1 ZINC001593560917 1167939664 /nfs/dbraw/zinc/93/96/64/1167939664.db2.gz MBUKPQXFELZTQL-UHFFFAOYSA-N -1 1 311.353 0.614 20 0 DCADMM c1cc(NCc2nnc3n2CCCCC3)cc(-c2nn[n-]n2)n1 ZINC001593560917 1167939678 /nfs/dbraw/zinc/93/96/78/1167939678.db2.gz MBUKPQXFELZTQL-UHFFFAOYSA-N -1 1 311.353 0.614 20 0 DCADMM c1cc(N2CCC[C@H](C3OCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001593560148 1167940142 /nfs/dbraw/zinc/94/01/42/1167940142.db2.gz YKMQHUQTVOYQSL-JTQLQIEISA-N -1 1 302.338 0.851 20 0 DCADMM c1cc(N2CCC[C@H](C3OCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001593560148 1167940147 /nfs/dbraw/zinc/94/01/47/1167940147.db2.gz YKMQHUQTVOYQSL-JTQLQIEISA-N -1 1 302.338 0.851 20 0 DCADMM c1nnn(-c2ccccc2)c1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001593570458 1167947293 /nfs/dbraw/zinc/94/72/93/1167947293.db2.gz GVAAZWVUPABPPU-UHFFFAOYSA-N -1 1 308.309 0.783 20 0 DCADMM c1nnn(-c2ccccc2)c1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001593570458 1167947302 /nfs/dbraw/zinc/94/73/02/1167947302.db2.gz GVAAZWVUPABPPU-UHFFFAOYSA-N -1 1 308.309 0.783 20 0 DCADMM c1ccc(CO[C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001593573609 1167947324 /nfs/dbraw/zinc/94/73/24/1167947324.db2.gz CKASUOOAIFLFLA-GFCCVEGCSA-N -1 1 324.348 0.847 20 0 DCADMM c1ccc(CO[C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001593573609 1167947333 /nfs/dbraw/zinc/94/73/33/1167947333.db2.gz CKASUOOAIFLFLA-GFCCVEGCSA-N -1 1 324.348 0.847 20 0 DCADMM c1cn(-c2ccc(CNc3ccnc(-c4nn[n-]n4)c3)cn2)cn1 ZINC001593581996 1167949256 /nfs/dbraw/zinc/94/92/56/1167949256.db2.gz ATIOROLGILKRIN-UHFFFAOYSA-N -1 1 319.332 0.876 20 0 DCADMM c1ccc2c(c1)OC[C@@H](CNc1ncncc1-c1nn[n-]n1)O2 ZINC001593579408 1167949583 /nfs/dbraw/zinc/94/95/83/1167949583.db2.gz GFLJMYFAOCWEOO-SECBINFHSA-N -1 1 311.305 0.909 20 0 DCADMM c1nc(C2CN(c3cnc(-c4nnn[n-]4)cn3)C2)ncc1C1CC1 ZINC001593590047 1167952117 /nfs/dbraw/zinc/95/21/17/1167952117.db2.gz DJTPOUNUZGKKDN-UHFFFAOYSA-N -1 1 321.348 0.928 20 0 DCADMM c1nc(C2CN(c3cnc(-c4nn[n-]n4)cn3)C2)ncc1C1CC1 ZINC001593590047 1167952119 /nfs/dbraw/zinc/95/21/19/1167952119.db2.gz DJTPOUNUZGKKDN-UHFFFAOYSA-N -1 1 321.348 0.928 20 0 DCADMM c1cnc(NCCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)nc1 ZINC001593584686 1167952851 /nfs/dbraw/zinc/95/28/51/1167952851.db2.gz ORFGTSDUVYPYDJ-UHFFFAOYSA-N -1 1 324.352 0.848 20 0 DCADMM c1cnc(NCCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)nc1 ZINC001593584686 1167952854 /nfs/dbraw/zinc/95/28/54/1167952854.db2.gz ORFGTSDUVYPYDJ-UHFFFAOYSA-N -1 1 324.352 0.848 20 0 DCADMM c1cc(-c2nnn[n-]2)oc1CN1CCOC[C@@H]1c1ncno1 ZINC001593593714 1167956551 /nfs/dbraw/zinc/95/65/51/1167956551.db2.gz JQCSUFGRPWXCBW-SECBINFHSA-N -1 1 303.282 0.416 20 0 DCADMM c1cc(-c2nn[n-]n2)oc1CN1CCOC[C@@H]1c1ncno1 ZINC001593593714 1167956557 /nfs/dbraw/zinc/95/65/57/1167956557.db2.gz JQCSUFGRPWXCBW-SECBINFHSA-N -1 1 303.282 0.416 20 0 DCADMM COC(=O)C1(NC(=O)CN2CCCC2)CCC(C(=O)[O-])CC1 ZINC001598722869 1168029425 /nfs/dbraw/zinc/02/94/25/1168029425.db2.gz WRBYGVJXIFVTDU-UHFFFAOYSA-N -1 1 312.366 0.385 20 0 DCADMM COC(=O)[C@@]1(OC)CCN(Cc2cc(C(=O)[O-])c(C)n2C)C1 ZINC001598725608 1168032466 /nfs/dbraw/zinc/03/24/66/1168032466.db2.gz IAIMIBZSUZADGI-OAHLLOKOSA-N -1 1 310.350 0.796 20 0 DCADMM Cc1cccc(NC(=O)CNCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC001600539688 1168197173 /nfs/dbraw/zinc/19/71/73/1168197173.db2.gz WLPGROBVYTUUMP-STQMWFEESA-N -1 1 319.361 0.360 20 0 DCADMM Cc1cccc(S(=O)(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c1 ZINC001600548149 1168197871 /nfs/dbraw/zinc/19/78/71/1168197871.db2.gz QLDXHFMVEWFGEL-GFCCVEGCSA-N -1 1 312.391 0.632 20 0 DCADMM Cc1cccc2c(=O)c(C(=O)NC[C@H](O)CC(=O)[O-])c[nH]c12 ZINC001600553254 1168199213 /nfs/dbraw/zinc/19/92/13/1168199213.db2.gz JPQLNCRFAZCFFC-SECBINFHSA-N -1 1 304.302 0.402 20 0 DCADMM Cc1cccnc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600592396 1168205174 /nfs/dbraw/zinc/20/51/74/1168205174.db2.gz VQBSSIVAQKJRAD-IHVVCDCBSA-N -1 1 300.318 0.938 20 0 DCADMM Cc1cn2c(nc(CN[C@H]3CCO[C@H]3C(=O)[O-])cc2=O)s1 ZINC001600613772 1168214014 /nfs/dbraw/zinc/21/40/14/1168214014.db2.gz KNDRETXUNXDYIA-GXSJLCMTSA-N -1 1 309.347 0.396 20 0 DCADMM Cc1cncc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC001600628114 1168219525 /nfs/dbraw/zinc/21/95/25/1168219525.db2.gz YBWVADDULYIEMI-SEBNEYGDSA-N -1 1 315.373 0.657 20 0 DCADMM 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CCN(CC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-])C1CC1 ZINC001605411729 1169915820 /nfs/dbraw/zinc/91/58/20/1169915820.db2.gz ZOLYLHZREMTYGS-JQWIXIFHSA-N -1 1 312.366 0.336 20 0 DCADMM CCN(CC)C(=O)[C@H]1CCCN1CCc1cn(CC(=O)[O-])nn1 ZINC001605422042 1169916580 /nfs/dbraw/zinc/91/65/80/1169916580.db2.gz AKNYHTFPEZCGBL-CYBMUJFWSA-N -1 1 323.397 0.238 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(C)CCC1 ZINC001605436242 1169920740 /nfs/dbraw/zinc/92/07/40/1169920740.db2.gz YHDQEMZDZLQPHK-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(C)CCC1 ZINC001605436242 1169920744 /nfs/dbraw/zinc/92/07/44/1169920744.db2.gz YHDQEMZDZLQPHK-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCN(CCC(=O)[O-])C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001605442829 1169922065 /nfs/dbraw/zinc/92/20/65/1169922065.db2.gz IBQQMFWOKRALSF-CYBMUJFWSA-N -1 1 315.391 0.920 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cnn3cccnc23)nn1C ZINC001605467560 1169929517 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Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC(F)(F)C1 ZINC001605506649 1169941397 /nfs/dbraw/zinc/94/13/97/1169941397.db2.gz JKSGZCUCPVRUIS-UHFFFAOYSA-N -1 1 310.264 0.757 20 0 DCADMM CCOC(=O)[C@H](CC)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001605507377 1169941694 /nfs/dbraw/zinc/94/16/94/1169941694.db2.gz FJZQYDAWFWGXDX-VXGBXAGGSA-N -1 1 314.382 0.583 20 0 DCADMM CCOC(=O)C(CC)(CC)CNCc1cn(CC(=O)[O-])nn1 ZINC001605508264 1169943306 /nfs/dbraw/zinc/94/33/06/1169943306.db2.gz LFLALCGIKMAPCF-UHFFFAOYSA-N -1 1 312.370 0.822 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C[C@H]2CCOC2)C2CC2)n1 ZINC001605555833 1169958460 /nfs/dbraw/zinc/95/84/60/1169958460.db2.gz MWWKNWVNPCAPSI-SNVBAGLBSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C[C@H]2CCOC2)C2CC2)n1 ZINC001605555833 1169958473 /nfs/dbraw/zinc/95/84/73/1169958473.db2.gz MWWKNWVNPCAPSI-SNVBAGLBSA-N -1 1 301.354 0.970 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001605558648 1169960526 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Cc1cc(NCCCn2cc(CO)nn2)cc(-c2nnn[n-]2)n1 ZINC001609409701 1170970547 /nfs/dbraw/zinc/97/05/47/1170970547.db2.gz UHKGKIADAPEHQM-UHFFFAOYSA-N -1 1 315.341 0.156 20 0 DCADMM Cc1cc(NCCCn2cc(CO)nn2)cc(-c2nn[n-]n2)n1 ZINC001609409701 1170970556 /nfs/dbraw/zinc/97/05/56/1170970556.db2.gz UHKGKIADAPEHQM-UHFFFAOYSA-N -1 1 315.341 0.156 20 0 DCADMM Cc1onc(CC(=O)Nc2nc(C)ccc2O)c1-c1nn[n-]n1 ZINC001609427017 1170975417 /nfs/dbraw/zinc/97/54/17/1170975417.db2.gz GHEQDBJYSYBAOG-UHFFFAOYSA-N -1 1 315.293 0.753 20 0 DCADMM Cc1cnc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)o1 ZINC001609441256 1170979771 /nfs/dbraw/zinc/97/97/71/1170979771.db2.gz VPDQZGBHTGIJLT-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1nsc(NC(=O)CCc2cnn(C)c2)c1-c1nnn[n-]1 ZINC001609465583 1170987969 /nfs/dbraw/zinc/98/79/69/1170987969.db2.gz WGIQFJMWEOEXDA-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1nsc(NC(=O)CCc2cnn(C)c2)c1-c1nn[n-]n1 ZINC001609465583 1170987972 /nfs/dbraw/zinc/98/79/72/1170987972.db2.gz WGIQFJMWEOEXDA-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1nncn1CCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609467529 1170990268 /nfs/dbraw/zinc/99/02/68/1170990268.db2.gz KASGARAXEVZMCR-UHFFFAOYSA-N -1 1 302.298 0.098 20 0 DCADMM Cc1nncn1CCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609467529 1170990274 /nfs/dbraw/zinc/99/02/74/1170990274.db2.gz KASGARAXEVZMCR-UHFFFAOYSA-N -1 1 302.298 0.098 20 0 DCADMM NC(=O)[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001609501360 1170998902 /nfs/dbraw/zinc/99/89/02/1170998902.db2.gz QLXWOOUJYTUDHJ-GFCCVEGCSA-N -1 1 323.316 0.218 20 0 DCADMM NC(=O)[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001609501360 1170998913 /nfs/dbraw/zinc/99/89/13/1170998913.db2.gz QLXWOOUJYTUDHJ-GFCCVEGCSA-N -1 1 323.316 0.218 20 0 DCADMM NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609502932 1171001776 /nfs/dbraw/zinc/00/17/76/1171001776.db2.gz ULDMNXLLRHHMOE-YUMQZZPRSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609502932 1171001779 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O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC001609539283 1171015310 /nfs/dbraw/zinc/01/53/10/1171015310.db2.gz WHZAEJQGAYHYJF-NSHDSACASA-N -1 1 313.317 0.793 20 0 DCADMM O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609539283 1171015316 /nfs/dbraw/zinc/01/53/16/1171015316.db2.gz WHZAEJQGAYHYJF-NSHDSACASA-N -1 1 313.317 0.793 20 0 DCADMM O=C(NC1(C2CC2)CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609539550 1171015447 /nfs/dbraw/zinc/01/54/47/1171015447.db2.gz MNNPEEXNNZMLDH-UHFFFAOYSA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NC1(C2CC2)CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609539550 1171015453 /nfs/dbraw/zinc/01/54/53/1171015453.db2.gz MNNPEEXNNZMLDH-UHFFFAOYSA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NC[C@@H]1CCC[C@H](O)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001609545519 1171016510 /nfs/dbraw/zinc/01/65/10/1171016510.db2.gz FITDJJIJTBLYQG-ZJUUUORDSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@@H]1CCC[C@H](O)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001609545519 1171016516 /nfs/dbraw/zinc/01/65/16/1171016516.db2.gz 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ZINC001262852633 947779716 /nfs/dbraw/zinc/77/97/16/947779716.db2.gz ZAIDYJSZDXQDCD-UHFFFAOYSA-N -1 1 318.316 0.650 20 0 DCADMM CN(CCOc1ccccc1F)c1nnc(-c2nn[n-]n2)n1C ZINC001262852633 947779722 /nfs/dbraw/zinc/77/97/22/947779722.db2.gz ZAIDYJSZDXQDCD-UHFFFAOYSA-N -1 1 318.316 0.650 20 0 DCADMM O=C([O-])[C@@]1(C(=O)N2CCc3ccccc3CC2)CNCCO1 ZINC001263084664 947802728 /nfs/dbraw/zinc/80/27/28/947802728.db2.gz BSHRFTLNQAXBEY-INIZCTEOSA-N -1 1 304.346 0.057 20 0 DCADMM O=C([O-])[C@]1(C(=O)N2CCCc3sccc3C2)CNCCO1 ZINC001263083111 947803138 /nfs/dbraw/zinc/80/31/38/947803138.db2.gz BZHDTOQNEVRQME-CQSZACIVSA-N -1 1 310.375 0.466 20 0 DCADMM CC(C)CO[N-]C(=O)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC001326015510 948020533 /nfs/dbraw/zinc/02/05/33/948020533.db2.gz ZDMGEPPYBOXXFD-UHFFFAOYSA-N -1 1 317.349 0.792 20 0 DCADMM CC(C)CO[N-]C(=O)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC001326015510 948020544 /nfs/dbraw/zinc/02/05/44/948020544.db2.gz ZDMGEPPYBOXXFD-UHFFFAOYSA-N -1 1 317.349 0.792 20 0 DCADMM COc1cc(F)c(CNCCC(=O)NCC(=O)[O-])cc1OC ZINC001326446817 948167297 /nfs/dbraw/zinc/16/72/97/948167297.db2.gz CHBFIIXOFOHUIS-UHFFFAOYSA-N -1 1 314.313 0.523 20 0 DCADMM CC(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573432866 948193234 /nfs/dbraw/zinc/19/32/34/948193234.db2.gz IACVSDIMKDBYND-SNVBAGLBSA-N -1 1 302.342 0.022 20 0 DCADMM CC(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573432866 948193240 /nfs/dbraw/zinc/19/32/40/948193240.db2.gz IACVSDIMKDBYND-SNVBAGLBSA-N -1 1 302.342 0.022 20 0 DCADMM CC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573440088 948261380 /nfs/dbraw/zinc/26/13/80/948261380.db2.gz ZJMQUYHGZIHNAW-JQWIXIFHSA-N -1 1 314.353 0.104 20 0 DCADMM CC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573440088 948261388 /nfs/dbraw/zinc/26/13/88/948261388.db2.gz ZJMQUYHGZIHNAW-JQWIXIFHSA-N -1 1 314.353 0.104 20 0 DCADMM CC(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573441763 948276553 /nfs/dbraw/zinc/27/65/53/948276553.db2.gz AUMFDHNOASJJCK-NSHDSACASA-N -1 1 316.369 0.139 20 0 DCADMM O=C(NC[C@H](CO)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ncccc1[O-] ZINC001487979038 948401495 /nfs/dbraw/zinc/40/14/95/948401495.db2.gz UWKDPXSMWPGQBQ-DCQANWLSSA-N -1 1 319.361 0.040 20 0 DCADMM Cn1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)ccc1=O ZINC001570918684 948578104 /nfs/dbraw/zinc/57/81/04/948578104.db2.gz SIXVRPDEWQMPOP-UHFFFAOYSA-N -1 1 316.346 0.557 20 0 DCADMM CC(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001570919384 948587384 /nfs/dbraw/zinc/58/73/84/948587384.db2.gz RYTIFSRKJACJAD-YGRLFVJLSA-N -1 1 314.353 0.294 20 0 DCADMM CN(C)c1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccn1 ZINC001570919869 948592663 /nfs/dbraw/zinc/59/26/63/948592663.db2.gz CLLVCJARVUMWJP-UHFFFAOYSA-N -1 1 313.325 0.314 20 0 DCADMM CN(C)c1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccn1 ZINC001570919869 948592666 /nfs/dbraw/zinc/59/26/66/948592666.db2.gz CLLVCJARVUMWJP-UHFFFAOYSA-N -1 1 313.325 0.314 20 0 DCADMM C[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573732399 948603039 /nfs/dbraw/zinc/60/30/39/948603039.db2.gz OJIYHCXCTQWGFX-DTWKUNHWSA-N -1 1 316.369 0.041 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001570921002 948611605 /nfs/dbraw/zinc/61/16/05/948611605.db2.gz JTBNRKWQRXPIQR-NXEZZACHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001570921002 948611616 /nfs/dbraw/zinc/61/16/16/948611616.db2.gz JTBNRKWQRXPIQR-NXEZZACHSA-N -1 1 316.369 0.764 20 0 DCADMM COc1ccnc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1F ZINC001570921581 948623763 /nfs/dbraw/zinc/62/37/63/948623763.db2.gz GLKNTWLKFIRYKU-UHFFFAOYSA-N -1 1 318.268 0.932 20 0 DCADMM COc1ccnc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1F ZINC001570921581 948623765 /nfs/dbraw/zinc/62/37/65/948623765.db2.gz GLKNTWLKFIRYKU-UHFFFAOYSA-N -1 1 318.268 0.932 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCOCC[C@H]1C ZINC001570921770 948627244 /nfs/dbraw/zinc/62/72/44/948627244.db2.gz OHVBMVPOZFJRNA-SECBINFHSA-N -1 1 318.337 0.527 20 0 DCADMM Cn1cc(Cl)c(CNC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001570921828 948628587 /nfs/dbraw/zinc/62/85/87/948628587.db2.gz PSFFBYXYCFKUTH-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM Cn1cc(Cl)c(CNC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001570921828 948628591 /nfs/dbraw/zinc/62/85/91/948628591.db2.gz PSFFBYXYCFKUTH-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM COCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001488293161 948631610 /nfs/dbraw/zinc/63/16/10/948631610.db2.gz XGRPQBHBRUCAKQ-QWRGUYRKSA-N -1 1 307.350 0.448 20 0 DCADMM Cc1nsc(NC(=O)NCc2cnn(C)n2)c1-c1nnn[n-]1 ZINC001570923377 948660026 /nfs/dbraw/zinc/66/00/26/948660026.db2.gz YTVZRLRFXTYQRN-UHFFFAOYSA-N -1 1 320.342 0.082 20 0 DCADMM Cc1nsc(NC(=O)NCc2cnn(C)n2)c1-c1nn[n-]n1 ZINC001570923377 948660030 /nfs/dbraw/zinc/66/00/30/948660030.db2.gz YTVZRLRFXTYQRN-UHFFFAOYSA-N -1 1 320.342 0.082 20 0 DCADMM C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(F)(F)F ZINC001327968585 948677585 /nfs/dbraw/zinc/67/75/85/948677585.db2.gz RLDCWXJYVCOGGV-ZCFIWIBFSA-N -1 1 315.255 0.347 20 0 DCADMM C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)C1 ZINC001263911649 948800709 /nfs/dbraw/zinc/80/07/09/948800709.db2.gz OTDISIYOYCSUCH-NWDGAFQWSA-N -1 1 320.397 0.239 20 0 DCADMM CCOC(=O)C(C)(C)O[N-]C(=O)CSc1nnc(C)[nH]1 ZINC001328309055 948821464 /nfs/dbraw/zinc/82/14/64/948821464.db2.gz GFOAYLAZMRNKDB-UHFFFAOYSA-N -1 1 302.356 0.595 20 0 DCADMM CCOC(=O)C(C)(C)O[N-]C(=O)CSc1nc(C)n[nH]1 ZINC001328309055 948821477 /nfs/dbraw/zinc/82/14/77/948821477.db2.gz GFOAYLAZMRNKDB-UHFFFAOYSA-N -1 1 302.356 0.595 20 0 DCADMM CC(C)[C@H](F)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574082016 948848120 /nfs/dbraw/zinc/84/81/20/948848120.db2.gz ZEXLZSPXLBHOAC-NSHDSACASA-N -1 1 322.348 0.203 20 0 DCADMM CC(C)[C@H](F)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574082016 948848138 /nfs/dbraw/zinc/84/81/38/948848138.db2.gz ZEXLZSPXLBHOAC-NSHDSACASA-N -1 1 322.348 0.203 20 0 DCADMM NC(=O)[C@@H](F)C1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001570932944 948867612 /nfs/dbraw/zinc/86/76/12/948867612.db2.gz ZEHAATSFLXMKQX-JTQLQIEISA-N -1 1 322.300 0.135 20 0 DCADMM NC(=O)[C@@H](F)C1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001570932944 948867629 /nfs/dbraw/zinc/86/76/29/948867629.db2.gz ZEHAATSFLXMKQX-JTQLQIEISA-N -1 1 322.300 0.135 20 0 DCADMM CC[C@@H](NCC(=O)NCC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC001589568839 948892454 /nfs/dbraw/zinc/89/24/54/948892454.db2.gz PZAHINMBHONONM-LLVKDONJSA-N -1 1 310.350 0.945 20 0 DCADMM C[C@@H](CN(C)C(=O)C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574692653 949038192 /nfs/dbraw/zinc/03/81/92/949038192.db2.gz ADJAFWPELGZHCO-VIFPVBQESA-N -1 1 318.385 0.962 20 0 DCADMM C[C@@H](CN(C)C(=O)C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574692653 949038211 /nfs/dbraw/zinc/03/82/11/949038211.db2.gz ADJAFWPELGZHCO-VIFPVBQESA-N -1 1 318.385 0.962 20 0 DCADMM CCCc1cc(=O)n2[n-]c(NC(=O)Cc3cc(C)on3)nc2n1 ZINC001328712194 949046394 /nfs/dbraw/zinc/04/63/94/949046394.db2.gz QBUBXMABPKKTIQ-UHFFFAOYSA-N -1 1 316.321 0.848 20 0 DCADMM C[C@@H](CN(C)C(=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574693376 949056882 /nfs/dbraw/zinc/05/68/82/949056882.db2.gz GVMCDSIDNVVCCX-VIFPVBQESA-N -1 1 318.385 0.962 20 0 DCADMM C[C@@H](CN(C)C(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574693376 949056899 /nfs/dbraw/zinc/05/68/99/949056899.db2.gz GVMCDSIDNVVCCX-VIFPVBQESA-N -1 1 318.385 0.962 20 0 DCADMM COc1ncc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)cc1Cl ZINC001364381947 949153104 /nfs/dbraw/zinc/15/31/04/949153104.db2.gz AKIZVXKHXYZJFK-VIFPVBQESA-N -1 1 324.728 0.470 20 0 DCADMM C[C@@H](NC(=O)C1(C)CC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575252086 949155406 /nfs/dbraw/zinc/15/54/06/949155406.db2.gz DSDOOBULCRJOPN-RKDXNWHRSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@@H](NC(=O)C1(C)CC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575252086 949155415 /nfs/dbraw/zinc/15/54/15/949155415.db2.gz DSDOOBULCRJOPN-RKDXNWHRSA-N -1 1 316.369 0.762 20 0 DCADMM CC(C)CC(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574100650 949195594 /nfs/dbraw/zinc/19/55/94/949195594.db2.gz VZSWKIOWPQTANR-SNVBAGLBSA-N -1 1 318.385 0.962 20 0 DCADMM CC(C)CC(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574100650 949195610 /nfs/dbraw/zinc/19/56/10/949195610.db2.gz VZSWKIOWPQTANR-SNVBAGLBSA-N -1 1 318.385 0.962 20 0 DCADMM O=C([O-])c1ccc(CN2CCN(Cc3nnc[nH]3)CC2)s1 ZINC001595227727 949327644 /nfs/dbraw/zinc/32/76/44/949327644.db2.gz UXOSVBNOQGCNRT-UHFFFAOYSA-N -1 1 307.379 0.882 20 0 DCADMM O=C(NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1csnn1 ZINC001265170086 949401171 /nfs/dbraw/zinc/40/11/71/949401171.db2.gz MUHCUQOWIWBLHL-UHFFFAOYSA-N -1 1 323.382 0.146 20 0 DCADMM CC(C)CC(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574117142 949450781 /nfs/dbraw/zinc/45/07/81/949450781.db2.gz MNKJXPRPHLFXJA-JTQLQIEISA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)CC(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574117142 949450793 /nfs/dbraw/zinc/45/07/93/949450793.db2.gz MNKJXPRPHLFXJA-JTQLQIEISA-N -1 1 318.385 0.867 20 0 DCADMM 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Cc1ccc([C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737320592 599055883 /nfs/dbraw/zinc/05/58/83/599055883.db2.gz RNMSXJIVSOVAHN-LLVKDONJSA-N -1 1 314.305 0.627 20 0 DCADMM O=C([O-])/C=C1\SCC(=O)N1CCCSc1c[nH]nn1 ZINC000833196039 601897198 /nfs/dbraw/zinc/89/71/98/601897198.db2.gz MLOAQZWWLKHUBD-WTKPLQERSA-N -1 1 300.365 0.788 20 0 DCADMM O=C(NC[C@H]1CCC[C@H](O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738045764 599101013 /nfs/dbraw/zinc/10/10/13/599101013.db2.gz QSEREEHNNVCOHJ-ONGXEEELSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@H]1CCC[C@H](O)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738045764 599101015 /nfs/dbraw/zinc/10/10/15/599101015.db2.gz QSEREEHNNVCOHJ-ONGXEEELSA-N -1 1 302.338 0.543 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCCSC)c1 ZINC000821666935 599125711 /nfs/dbraw/zinc/12/57/11/599125711.db2.gz MVRPOVSLTOWHGV-UHFFFAOYSA-N -1 1 309.351 0.568 20 0 DCADMM Cc1cc(C)n(CCOC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737257357 599132105 /nfs/dbraw/zinc/13/21/05/599132105.db2.gz 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/nfs/dbraw/zinc/80/07/79/597800779.db2.gz UUKOELAYGGJJIV-GFCCVEGCSA-N -1 1 316.361 0.702 20 0 DCADMM O=C([O-])CNC(=O)CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000821530810 597804689 /nfs/dbraw/zinc/80/46/89/597804689.db2.gz PUDFNXDYTJETHT-JTQLQIEISA-N -1 1 307.354 0.062 20 0 DCADMM O=C([O-])CNC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000821530810 597804692 /nfs/dbraw/zinc/80/46/92/597804692.db2.gz PUDFNXDYTJETHT-JTQLQIEISA-N -1 1 307.354 0.062 20 0 DCADMM CCOC(=O)[C@@H]1CCCCN1C(=O)CN[C@@H](C(=O)[O-])C(C)C ZINC000820364828 598188692 /nfs/dbraw/zinc/18/86/92/598188692.db2.gz YYLLBGVYWCRCIU-WCQYABFASA-N -1 1 314.382 0.629 20 0 DCADMM CC(C)[C@@H](NCC(=O)NC[C@H]1Cc2ccccc2O1)C(=O)[O-] ZINC000820041320 598189665 /nfs/dbraw/zinc/18/96/65/598189665.db2.gz BJLRJFLMUGVEBW-IUODEOHRSA-N -1 1 306.362 0.805 20 0 DCADMM Oc1ccc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000738401391 598337225 /nfs/dbraw/zinc/33/72/25/598337225.db2.gz RTXQIIMKYBNOBP-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Oc1ccc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000738401391 598337227 /nfs/dbraw/zinc/33/72/27/598337227.db2.gz RTXQIIMKYBNOBP-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Cc1ncc2c(n1)CC[C@@H](Nc1nccnc1-c1nnn[n-]1)C2 ZINC000737497411 598351812 /nfs/dbraw/zinc/35/18/12/598351812.db2.gz CFUQMYILIIXGFQ-SNVBAGLBSA-N -1 1 309.337 0.725 20 0 DCADMM Cc1ncc2c(n1)CC[C@@H](Nc1nccnc1-c1nn[n-]n1)C2 ZINC000737497411 598351814 /nfs/dbraw/zinc/35/18/14/598351814.db2.gz CFUQMYILIIXGFQ-SNVBAGLBSA-N -1 1 309.337 0.725 20 0 DCADMM CCOC(=O)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC000736595831 598383909 /nfs/dbraw/zinc/38/39/09/598383909.db2.gz XUOLUVRUWZOXGB-VIFPVBQESA-N -1 1 303.326 0.436 20 0 DCADMM CCOC(=O)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC000736595831 598383911 /nfs/dbraw/zinc/38/39/11/598383911.db2.gz XUOLUVRUWZOXGB-VIFPVBQESA-N -1 1 303.326 0.436 20 0 DCADMM COC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000736935586 598386292 /nfs/dbraw/zinc/38/62/92/598386292.db2.gz IWNLCZAVYWRVHT-UHFFFAOYSA-N -1 1 304.314 0.299 20 0 DCADMM COC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000736935586 598386294 /nfs/dbraw/zinc/38/62/94/598386294.db2.gz IWNLCZAVYWRVHT-UHFFFAOYSA-N -1 1 304.314 0.299 20 0 DCADMM Cc1noc([C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC000737535338 598386619 /nfs/dbraw/zinc/38/66/19/598386619.db2.gz UFLMZXLCEWJCBF-SECBINFHSA-N -1 1 313.325 0.732 20 0 DCADMM Cc1noc([C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC000737535338 598386620 /nfs/dbraw/zinc/38/66/20/598386620.db2.gz UFLMZXLCEWJCBF-SECBINFHSA-N -1 1 313.325 0.732 20 0 DCADMM COc1ccc(COCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000737096201 598492583 /nfs/dbraw/zinc/49/25/83/598492583.db2.gz AAOFASUWCMKYLD-UHFFFAOYSA-N -1 1 301.310 0.684 20 0 DCADMM Nc1n[nH]c(CCCNc2ccc(Cl)nn2)c1-c1nn[n-]n1 ZINC000737769577 598530460 /nfs/dbraw/zinc/53/04/60/598530460.db2.gz NUBFVFVOZFSISC-UHFFFAOYSA-N -1 1 320.748 0.660 20 0 DCADMM c1nc(-c2nn[n-]n2)nn1Cc1noc(Cc2ccccc2)n1 ZINC000738433918 598585378 /nfs/dbraw/zinc/58/53/78/598585378.db2.gz 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/nfs/dbraw/zinc/76/80/01/598768001.db2.gz WVJSUDBGGUIHSC-UHFFFAOYSA-N -1 1 304.282 0.147 20 0 DCADMM Cc1cc(-c2nn[nH]n2)cc(C)c1OS(=O)(=O)c1c[n-]cn1 ZINC000822135906 599363037 /nfs/dbraw/zinc/36/30/37/599363037.db2.gz GNXUEVBGTMBXTB-UHFFFAOYSA-N -1 1 320.334 0.974 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000737748266 599428275 /nfs/dbraw/zinc/42/82/75/599428275.db2.gz QZXDDHHIBDDRNY-JTQLQIEISA-N -1 1 301.354 0.744 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000737748266 599428277 /nfs/dbraw/zinc/42/82/77/599428277.db2.gz QZXDDHHIBDDRNY-JTQLQIEISA-N -1 1 301.354 0.744 20 0 DCADMM CCS(=O)(=O)C[C@@H](C)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000821440982 599554610 /nfs/dbraw/zinc/55/46/10/599554610.db2.gz GDXWWDQHRJISNL-SECBINFHSA-N -1 1 310.383 0.521 20 0 DCADMM CCS(=O)(=O)C[C@@H](C)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000821440982 599554611 /nfs/dbraw/zinc/55/46/11/599554611.db2.gz GDXWWDQHRJISNL-SECBINFHSA-N -1 1 310.383 0.521 20 0 DCADMM CCN(C1CCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736513274 599595167 /nfs/dbraw/zinc/59/51/67/599595167.db2.gz XDDNVXNNGQMEPV-UHFFFAOYSA-N -1 1 308.367 0.825 20 0 DCADMM CCN(C1CCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736513274 599595168 /nfs/dbraw/zinc/59/51/68/599595168.db2.gz XDDNVXNNGQMEPV-UHFFFAOYSA-N -1 1 308.367 0.825 20 0 DCADMM CC(C)CN1CCO[C@@H](CNC(=O)C(C)(C)NC(=O)[O-])C1 ZINC000736444577 599726210 /nfs/dbraw/zinc/72/62/10/599726210.db2.gz YHAWNLSQIXPCPW-NSHDSACASA-N -1 1 301.387 0.506 20 0 DCADMM CC(C)CN1CCO[C@H](CNC(=O)CCCNC(=O)[O-])C1 ZINC000736442520 599742041 /nfs/dbraw/zinc/74/20/41/599742041.db2.gz GOOWMOYQBNPAKI-GFCCVEGCSA-N -1 1 301.387 0.507 20 0 DCADMM COc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1OC ZINC000378733510 599778629 /nfs/dbraw/zinc/77/86/29/599778629.db2.gz YDRWTHJBFRRWOW-NSHDSACASA-N -1 1 319.317 0.853 20 0 DCADMM CC(C)(NCC(=O)NC1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000736339585 599925823 /nfs/dbraw/zinc/92/58/23/599925823.db2.gz TWLQBJLVYRMYOT-UHFFFAOYSA-N -1 1 300.355 0.241 20 0 DCADMM CN(C)[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000737359740 600102492 /nfs/dbraw/zinc/10/24/92/600102492.db2.gz VXFAPDDOZQAEGM-ZIAGYGMSSA-N -1 1 306.362 0.471 20 0 DCADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC(=O)NCc2ccco2)C1 ZINC000314431789 600141184 /nfs/dbraw/zinc/14/11/84/600141184.db2.gz GYKMISOELVDUFT-SNVBAGLBSA-N -1 1 309.322 0.402 20 0 DCADMM CCOCCN1CCN(C(=O)CCCNC(=O)[O-])C[C@H]1CC ZINC000737176091 600258017 /nfs/dbraw/zinc/25/80/17/600258017.db2.gz IRRVAKIDACXVIK-CYBMUJFWSA-N -1 1 315.414 0.994 20 0 DCADMM CCO[C@@H](C)c1noc(CN2CCN(CCC(=O)[O-])CC2)n1 ZINC000737156389 600261697 /nfs/dbraw/zinc/26/16/97/600261697.db2.gz FBVGKDVALKTYNM-NSHDSACASA-N -1 1 312.370 0.759 20 0 DCADMM O=C([O-])c1cn(CC(=O)NCc2nn[nH]n2)c2ccccc12 ZINC000739359313 600274512 /nfs/dbraw/zinc/27/45/12/600274512.db2.gz KCTPZDLUOXUKPD-UHFFFAOYSA-N -1 1 300.278 0.169 20 0 DCADMM CN(CC(=O)[O-])C(=O)CCN1CCN(Cc2ccco2)CC1 ZINC000737401824 600286221 /nfs/dbraw/zinc/28/62/21/600286221.db2.gz 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PAJMALTUOLNGDJ-UHFFFAOYSA-N -1 1 322.329 0.063 20 0 DCADMM CC(C)OC(=O)CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820142536 606165205 /nfs/dbraw/zinc/16/52/05/606165205.db2.gz PAJMALTUOLNGDJ-UHFFFAOYSA-N -1 1 322.329 0.063 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCC[C@H](O)C2)n1 ZINC000822614736 606172348 /nfs/dbraw/zinc/17/23/48/606172348.db2.gz QPUFTNMEJGBWDC-BDAKNGLRSA-N -1 1 320.357 0.273 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCC[C@H](O)C2)n1 ZINC000822614736 606172350 /nfs/dbraw/zinc/17/23/50/606172350.db2.gz QPUFTNMEJGBWDC-BDAKNGLRSA-N -1 1 320.357 0.273 20 0 DCADMM C[C@H](CC[S@@](C)=O)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820248180 606286822 /nfs/dbraw/zinc/28/68/22/606286822.db2.gz DGSWUSVYZYEWSA-IJSAXESFSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@H](CC[S@@](C)=O)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820248180 606286823 /nfs/dbraw/zinc/28/68/23/606286823.db2.gz DGSWUSVYZYEWSA-IJSAXESFSA-N -1 1 308.367 0.149 20 0 DCADMM Cc1noc(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])n1 ZINC000822528043 606296722 /nfs/dbraw/zinc/29/67/22/606296722.db2.gz QEZHBGOICMZFNW-UHFFFAOYSA-N -1 1 315.293 0.835 20 0 DCADMM COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821653402 606297438 /nfs/dbraw/zinc/29/74/38/606297438.db2.gz AJKOWLWBSQVHLK-YUMQZZPRSA-N -1 1 303.278 0.320 20 0 DCADMM Cc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(F)cc1F ZINC000822183957 606378852 /nfs/dbraw/zinc/37/88/52/606378852.db2.gz MNYOTBQGLDLOGB-UHFFFAOYSA-N -1 1 305.248 0.921 20 0 DCADMM NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822860340 606525018 /nfs/dbraw/zinc/52/50/18/606525018.db2.gz RZOHAFLNEYMGJV-ZETCQYMHSA-N -1 1 306.351 0.408 20 0 DCADMM NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822860340 606525020 /nfs/dbraw/zinc/52/50/20/606525020.db2.gz RZOHAFLNEYMGJV-ZETCQYMHSA-N -1 1 306.351 0.408 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821655188 606527796 /nfs/dbraw/zinc/52/77/96/606527796.db2.gz GRQZOVKLGQIXMH-ZETCQYMHSA-N -1 1 307.335 0.563 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821655188 606527798 /nfs/dbraw/zinc/52/77/98/606527798.db2.gz GRQZOVKLGQIXMH-ZETCQYMHSA-N -1 1 307.335 0.563 20 0 DCADMM CCC(CC)(NC(=O)c1ccc(-c2nnn[n-]2)s1)C(N)=O ZINC000820893169 606540379 /nfs/dbraw/zinc/54/03/79/606540379.db2.gz LLVZLOKYCSCFNT-UHFFFAOYSA-N -1 1 308.367 0.702 20 0 DCADMM CCC(CC)(NC(=O)c1ccc(-c2nn[n-]n2)s1)C(N)=O ZINC000820893169 606540381 /nfs/dbraw/zinc/54/03/81/606540381.db2.gz LLVZLOKYCSCFNT-UHFFFAOYSA-N -1 1 308.367 0.702 20 0 DCADMM C[C@H]1CC(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820643843 606572571 /nfs/dbraw/zinc/57/25/71/606572571.db2.gz ZTQOIRBETGNDHD-ZETCQYMHSA-N -1 1 306.351 0.279 20 0 DCADMM C[C@H]1CC(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820643843 606572573 /nfs/dbraw/zinc/57/25/73/606572573.db2.gz ZTQOIRBETGNDHD-ZETCQYMHSA-N -1 1 306.351 0.279 20 0 DCADMM CO[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821678459 606605012 /nfs/dbraw/zinc/60/50/12/606605012.db2.gz NZEPFVJMEFCXBO-QWRGUYRKSA-N -1 1 302.338 0.805 20 0 DCADMM CO[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821678459 606605014 /nfs/dbraw/zinc/60/50/14/606605014.db2.gz NZEPFVJMEFCXBO-QWRGUYRKSA-N -1 1 302.338 0.805 20 0 DCADMM Cc1ccc(CNC(=O)Cn2ccnc2-c2nnn[n-]2)cc1F ZINC000822237324 606654949 /nfs/dbraw/zinc/65/49/49/606654949.db2.gz OYFQYHGCIQJEDD-UHFFFAOYSA-N -1 1 315.312 0.827 20 0 DCADMM Cc1ccc(CNC(=O)Cn2ccnc2-c2nn[n-]n2)cc1F ZINC000822237324 606654950 /nfs/dbraw/zinc/65/49/50/606654950.db2.gz OYFQYHGCIQJEDD-UHFFFAOYSA-N -1 1 315.312 0.827 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC000821655899 606690331 /nfs/dbraw/zinc/69/03/31/606690331.db2.gz TZWHWTBVXQPYFA-HTQZYQBOSA-N -1 1 321.362 0.809 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC000821655899 606690332 /nfs/dbraw/zinc/69/03/32/606690332.db2.gz TZWHWTBVXQPYFA-HTQZYQBOSA-N -1 1 321.362 0.809 20 0 DCADMM CCc1nnc(COC(=O)c2sccc2-c2nn[n-]n2)n1C ZINC000821518546 606775088 /nfs/dbraw/zinc/77/50/88/606775088.db2.gz ZHHOMOYNSQLAPD-UHFFFAOYSA-N -1 1 319.350 0.976 20 0 DCADMM c1ccc(O[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)nc1 ZINC000823792271 606879485 /nfs/dbraw/zinc/87/94/85/606879485.db2.gz RLUUNAZSDMJFEH-SNVBAGLBSA-N -1 1 310.321 0.709 20 0 DCADMM c1ccc(O[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)nc1 ZINC000823792271 606879486 /nfs/dbraw/zinc/87/94/86/606879486.db2.gz RLUUNAZSDMJFEH-SNVBAGLBSA-N -1 1 310.321 0.709 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC2(CCC2)C1 ZINC000823600983 606937447 /nfs/dbraw/zinc/93/74/47/606937447.db2.gz NNRUALLXBFYILG-UHFFFAOYSA-N -1 1 320.378 0.826 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC2(CCC2)C1 ZINC000823600983 606937449 /nfs/dbraw/zinc/93/74/49/606937449.db2.gz NNRUALLXBFYILG-UHFFFAOYSA-N -1 1 320.378 0.826 20 0 DCADMM O[C@@]12CCCC[C@@H]1CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC000823698744 607033368 /nfs/dbraw/zinc/03/33/68/607033368.db2.gz QUULQUWOVJLWEF-QMTHXVAHSA-N -1 1 301.354 0.788 20 0 DCADMM O[C@@]12CCCC[C@@H]1CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC000823698744 607033370 /nfs/dbraw/zinc/03/33/70/607033370.db2.gz QUULQUWOVJLWEF-QMTHXVAHSA-N -1 1 301.354 0.788 20 0 DCADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820518600 607104087 /nfs/dbraw/zinc/10/40/87/607104087.db2.gz HLDWZPKKZPPNLR-SFYZADRCSA-N -1 1 324.366 0.846 20 0 DCADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820518600 607104089 /nfs/dbraw/zinc/10/40/89/607104089.db2.gz HLDWZPKKZPPNLR-SFYZADRCSA-N -1 1 324.366 0.846 20 0 DCADMM CC[C@@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)N1CCCC1=O ZINC000820841755 607104193 /nfs/dbraw/zinc/10/41/93/607104193.db2.gz DCCDMYVTHZMVFS-ZETCQYMHSA-N -1 1 321.366 0.663 20 0 DCADMM CC[C@@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)N1CCCC1=O ZINC000820841755 607104195 /nfs/dbraw/zinc/10/41/95/607104195.db2.gz DCCDMYVTHZMVFS-ZETCQYMHSA-N -1 1 321.366 0.663 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc2nncn2c1 ZINC000823380236 607111011 /nfs/dbraw/zinc/11/10/11/607111011.db2.gz SVOMUUIKCOZNCX-UHFFFAOYSA-N -1 1 313.306 0.618 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc2nncn2c1 ZINC000823380236 607111013 /nfs/dbraw/zinc/11/10/13/607111013.db2.gz SVOMUUIKCOZNCX-UHFFFAOYSA-N -1 1 313.306 0.618 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Cl)o1 ZINC000823132054 607207718 /nfs/dbraw/zinc/20/77/18/607207718.db2.gz XHIAJAMIHKDCBN-UHFFFAOYSA-N -1 1 308.689 0.021 20 0 DCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C1CC1)C1CC1 ZINC000821572137 607212168 /nfs/dbraw/zinc/21/21/68/607212168.db2.gz SNZARPHAIWNHLN-UHFFFAOYSA-N -1 1 302.342 0.105 20 0 DCADMM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820039437 607214140 /nfs/dbraw/zinc/21/41/40/607214140.db2.gz WKYRKDYRNVSSRF-QWRGUYRKSA-N -1 1 318.385 0.789 20 0 DCADMM CC[C@H](C)[C@@H](C)N(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC000820859144 607214226 /nfs/dbraw/zinc/21/42/26/607214226.db2.gz BOSOKMNFZVZSPB-VHSXEESVSA-N -1 1 318.385 0.884 20 0 DCADMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820814119 607216476 /nfs/dbraw/zinc/21/64/76/607216476.db2.gz RVOOKCYNOGWWIV-NOZJJQNGSA-N -1 1 324.348 0.508 20 0 DCADMM CC(C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccs1 ZINC000819988347 607217140 /nfs/dbraw/zinc/21/71/40/607217140.db2.gz YQDNQAVTKOSLFC-UHFFFAOYSA-N -1 1 318.366 0.571 20 0 DCADMM CC(C)C1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820037763 607219479 /nfs/dbraw/zinc/21/94/79/607219479.db2.gz HKKCNAHVSXXRNT-UHFFFAOYSA-N -1 1 304.358 0.353 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000823125728 607219746 /nfs/dbraw/zinc/21/97/46/607219746.db2.gz CBPYEAPETRKAMH-UWVGGRQHSA-N -1 1 302.342 0.249 20 0 DCADMM Cc1cccc(C)c1OC[C@H](O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826296935 607869184 /nfs/dbraw/zinc/86/91/84/607869184.db2.gz PBYPAXYKLMYPLM-LLVKDONJSA-N -1 1 315.337 0.515 20 0 DCADMM CCC[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000825253097 608007823 /nfs/dbraw/zinc/00/78/23/608007823.db2.gz LNUUHOMQVPNQQQ-SECBINFHSA-N -1 1 320.357 0.633 20 0 DCADMM CCC[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000825253097 608007824 /nfs/dbraw/zinc/00/78/24/608007824.db2.gz LNUUHOMQVPNQQQ-SECBINFHSA-N -1 1 320.357 0.633 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2ccsc2C1 ZINC000826425038 608032400 /nfs/dbraw/zinc/03/24/00/608032400.db2.gz NSSHTXFXLFFXDB-UHFFFAOYSA-N -1 1 316.350 0.105 20 0 DCADMM CCN(CC(=O)N(C)C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825395140 608187401 /nfs/dbraw/zinc/18/74/01/608187401.db2.gz LEPAFZGPFJABAX-UHFFFAOYSA-N -1 1 315.790 0.891 20 0 DCADMM CCN(CC(=O)N(C)C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825395140 608187402 /nfs/dbraw/zinc/18/74/02/608187402.db2.gz LEPAFZGPFJABAX-UHFFFAOYSA-N -1 1 315.790 0.891 20 0 DCADMM O=C1CC[C@@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CCN12 ZINC000826479834 608237622 /nfs/dbraw/zinc/23/76/22/608237622.db2.gz JOVCEACUNRYXQL-MRVPVSSYSA-N -1 1 319.756 0.726 20 0 DCADMM O=C1CC[C@@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CCN12 ZINC000826479834 608237624 /nfs/dbraw/zinc/23/76/24/608237624.db2.gz JOVCEACUNRYXQL-MRVPVSSYSA-N -1 1 319.756 0.726 20 0 DCADMM CCc1nn(C)c(OC)c1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825759471 608241255 /nfs/dbraw/zinc/24/12/55/608241255.db2.gz ISFCERMCGHZOGT-UHFFFAOYSA-N -1 1 315.341 0.573 20 0 DCADMM CCc1nn(C)c(OC)c1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825759471 608241257 /nfs/dbraw/zinc/24/12/57/608241257.db2.gz ISFCERMCGHZOGT-UHFFFAOYSA-N -1 1 315.341 0.573 20 0 DCADMM CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC ZINC000825242369 608334595 /nfs/dbraw/zinc/33/45/95/608334595.db2.gz PKZCAKHDWHZZPG-ZETCQYMHSA-N -1 1 309.351 1.000 20 0 DCADMM CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC000825242369 608334597 /nfs/dbraw/zinc/33/45/97/608334597.db2.gz PKZCAKHDWHZZPG-ZETCQYMHSA-N -1 1 309.351 1.000 20 0 DCADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc2n[nH]cc21 ZINC000826270031 608384033 /nfs/dbraw/zinc/38/40/33/608384033.db2.gz IEEVPWUFXKSYGW-UHFFFAOYSA-N -1 1 324.308 0.282 20 0 DCADMM CN(CC(=O)NCc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825892542 608421468 /nfs/dbraw/zinc/42/14/68/608421468.db2.gz OMXNMUQVJACPFD-UHFFFAOYSA-N -1 1 324.348 0.409 20 0 DCADMM CN(CC(=O)NCc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825892542 608421469 /nfs/dbraw/zinc/42/14/69/608421469.db2.gz OMXNMUQVJACPFD-UHFFFAOYSA-N -1 1 324.348 0.409 20 0 DCADMM COCCOC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826161255 608426701 /nfs/dbraw/zinc/42/67/01/608426701.db2.gz ZIUVOBRMBNTCDE-SNVBAGLBSA-N -1 1 305.342 0.146 20 0 DCADMM COCCOC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826161255 608426702 /nfs/dbraw/zinc/42/67/02/608426702.db2.gz ZIUVOBRMBNTCDE-SNVBAGLBSA-N -1 1 305.342 0.146 20 0 DCADMM CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC000823973209 608436646 /nfs/dbraw/zinc/43/66/46/608436646.db2.gz JFMNKLPIMLLVIQ-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC000823973209 608436647 /nfs/dbraw/zinc/43/66/47/608436647.db2.gz JFMNKLPIMLLVIQ-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM OCC[C@H]1COCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826508839 608585054 /nfs/dbraw/zinc/58/50/54/608585054.db2.gz CYSOZYOPBCMQMB-QMMMGPOBSA-N -1 1 310.745 0.503 20 0 DCADMM OCC[C@H]1COCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826508839 608585056 /nfs/dbraw/zinc/58/50/56/608585056.db2.gz CYSOZYOPBCMQMB-QMMMGPOBSA-N -1 1 310.745 0.503 20 0 DCADMM CCC[C@@H]1C[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)CCO1 ZINC000825253508 609150015 /nfs/dbraw/zinc/15/00/15/609150015.db2.gz NECXJFOMQFYRHC-RKDXNWHRSA-N -1 1 305.342 0.881 20 0 DCADMM Cc1nc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC000826326071 609351683 /nfs/dbraw/zinc/35/16/83/609351683.db2.gz YOBZKBVHVIMCMC-UHFFFAOYSA-N -1 1 300.282 0.225 20 0 DCADMM Cc1nc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC000826326071 609351684 /nfs/dbraw/zinc/35/16/84/609351684.db2.gz YOBZKBVHVIMCMC-UHFFFAOYSA-N -1 1 300.282 0.225 20 0 DCADMM COC(=O)C1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC000826124477 609387132 /nfs/dbraw/zinc/38/71/32/609387132.db2.gz RPIZZPPBDWVPPE-UHFFFAOYSA-N -1 1 319.325 0.038 20 0 DCADMM COC(=O)C1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC000826124477 609387131 /nfs/dbraw/zinc/38/71/31/609387131.db2.gz RPIZZPPBDWVPPE-UHFFFAOYSA-N -1 1 319.325 0.038 20 0 DCADMM C[S@](=O)CC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866797561 667400227 /nfs/dbraw/zinc/40/02/27/667400227.db2.gz PPGFMAGHRALEAP-ZWKOTPCHSA-N -1 1 324.449 0.356 20 0 DCADMM O=C(NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O)c1ccccc1O ZINC001027761074 660700652 /nfs/dbraw/zinc/70/06/52/660700652.db2.gz GQCQHAVPJLZGTM-DGCLKSJQSA-N -1 1 303.362 0.475 20 0 DCADMM O=C(NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)c1ccon1 ZINC000979520663 660770744 /nfs/dbraw/zinc/77/07/44/660770744.db2.gz RHXPJUNTAVBTDF-MGCOHNPYSA-N -1 1 316.317 0.714 20 0 DCADMM CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027841640 660825071 /nfs/dbraw/zinc/82/50/71/660825071.db2.gz JXRWKEZVAWJFPS-MNOVXSKESA-N -1 1 306.366 0.245 20 0 DCADMM O=C(NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)c1cnon1 ZINC000980266055 660902925 /nfs/dbraw/zinc/90/29/25/660902925.db2.gz ADBFQNVCZYIICE-KYZUINATSA-N -1 1 317.305 0.109 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)C3CCCCC3)CC2)nc1=O ZINC000980645717 660976475 /nfs/dbraw/zinc/97/64/75/660976475.db2.gz OOXVTXAOJUUFBK-UHFFFAOYSA-N -1 1 321.425 0.723 20 0 DCADMM Cn1[n-]c(COC(=O)c2cccc(Br)n2)nc1=O ZINC000765497617 664938442 /nfs/dbraw/zinc/93/84/42/664938442.db2.gz ROXMFHNFTQTCSD-UHFFFAOYSA-N -1 1 313.111 0.623 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N1CC2(C1)CCCN(Cc1nc(=O)n(C)[n-]1)C2 ZINC000981600284 661180257 /nfs/dbraw/zinc/18/02/57/661180257.db2.gz OCHBGVLTCOBFEY-NWDGAFQWSA-N -1 1 319.409 0.189 20 0 DCADMM CC[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc(C)ns1 ZINC000921433217 665303923 /nfs/dbraw/zinc/30/39/23/665303923.db2.gz KFWBOQJQJYDGHD-NSHDSACASA-N -1 1 319.452 0.841 20 0 DCADMM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867006839 667734735 /nfs/dbraw/zinc/73/47/35/667734735.db2.gz HTVAXAHDBXYDLX-SECBINFHSA-N -1 1 300.446 0.592 20 0 DCADMM O=C(NC[C@@H]1CCN1Cc1cnsn1)c1ncccc1[O-] ZINC001038190204 657626481 /nfs/dbraw/zinc/62/64/81/657626481.db2.gz ATFAEBATFKPUFX-JTQLQIEISA-N -1 1 305.363 0.643 20 0 DCADMM COCc1ccc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)o1 ZINC000969265709 657640811 /nfs/dbraw/zinc/64/08/11/657640811.db2.gz KWPMSTZOEUSOOY-SECBINFHSA-N -1 1 321.337 0.254 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]2CNC(=O)C2=CCCCCC2)nc1=O ZINC001038193680 657776062 /nfs/dbraw/zinc/77/60/62/657776062.db2.gz LBFPDJBLAQOBDV-CYBMUJFWSA-N -1 1 319.409 0.689 20 0 DCADMM CC(C)(C)[C@H]1CNC(=O)CN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000933833420 657831138 /nfs/dbraw/zinc/83/11/38/657831138.db2.gz XWGTWRQURBSYLB-GFCCVEGCSA-N -1 1 320.393 0.601 20 0 DCADMM Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)nc1=O ZINC001022416203 657876138 /nfs/dbraw/zinc/87/61/38/657876138.db2.gz FACZRGUVVDXRAV-WRWGMCAJSA-N -1 1 321.425 0.527 20 0 DCADMM CCCCC(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1 ZINC001041511392 657887559 /nfs/dbraw/zinc/88/75/59/657887559.db2.gz FKQGSPRFIQBNQM-UHFFFAOYSA-N -1 1 307.350 0.281 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ncnn2C)C1 ZINC000969546512 657962088 /nfs/dbraw/zinc/96/20/88/657962088.db2.gz KIHZDXGBAOMUQB-SNVBAGLBSA-N -1 1 316.365 0.166 20 0 DCADMM O=C(c1cccc(=O)[nH]1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998840169 665539001 /nfs/dbraw/zinc/53/90/01/665539001.db2.gz QAOZPIYDJBLZRV-SECBINFHSA-N -1 1 318.337 0.005 20 0 DCADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C12CCC2 ZINC000866870121 658148072 /nfs/dbraw/zinc/14/80/72/658148072.db2.gz YQXVRIRMKIGOLW-UWVGGRQHSA-N -1 1 310.441 0.896 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)C2=CCCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC000947191907 658413759 /nfs/dbraw/zinc/41/37/59/658413759.db2.gz ZDGNHGLEWAPTMM-DGCLKSJQSA-N -1 1 319.409 0.688 20 0 DCADMM O=C(c1ccncc1Cl)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970074617 658422830 /nfs/dbraw/zinc/42/28/30/658422830.db2.gz GATHAXTWQVNYKS-MRVPVSSYSA-N -1 1 322.756 0.563 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)C=C2CCC2)C1 ZINC000971328138 658502701 /nfs/dbraw/zinc/50/27/01/658502701.db2.gz ZLIGMDZUJCEZBU-LBPRGKRZSA-N -1 1 305.382 0.251 20 0 DCADMM CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[n-]2)C1 ZINC001020860789 658530164 /nfs/dbraw/zinc/53/01/64/658530164.db2.gz WPMQIJMSFHSGML-YWDSYVAPSA-N -1 1 321.425 0.527 20 0 DCADMM Cn1[n-]c(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC2(C)C)nc1=O ZINC001024397934 658601433 /nfs/dbraw/zinc/60/14/33/658601433.db2.gz BNPBGMDUDQQLCX-RYUDHWBXSA-N -1 1 321.425 0.625 20 0 DCADMM C[C@@H]1COC[C@H]1NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000926032788 658744386 /nfs/dbraw/zinc/74/43/86/658744386.db2.gz SPAYKCJXZXKZCD-KBVBSXBZSA-N -1 1 323.315 0.874 20 0 DCADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970243492 658780906 /nfs/dbraw/zinc/78/09/06/658780906.db2.gz IMYGVAKYIASMLZ-WDEREUQCSA-N -1 1 319.365 0.673 20 0 DCADMM O=C([C@H]1CC1(F)F)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024951049 658838162 /nfs/dbraw/zinc/83/81/62/658838162.db2.gz SMTTYCPVYFHFDQ-RKDXNWHRSA-N -1 1 315.324 0.636 20 0 DCADMM CCC1(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CCOCC1 ZINC000970356376 658891171 /nfs/dbraw/zinc/89/11/71/658891171.db2.gz ZCRDXUASYVNIDU-LLVKDONJSA-N -1 1 323.397 0.408 20 0 DCADMM O=C(N[C@@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1)c1cnn[nH]1 ZINC000936155153 658970285 /nfs/dbraw/zinc/97/02/85/658970285.db2.gz VVGBITOHKLMEAF-LLVKDONJSA-N -1 1 324.344 0.931 20 0 DCADMM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)[nH]n1 ZINC000973071328 659019354 /nfs/dbraw/zinc/01/93/54/659019354.db2.gz KALUPYMLIKZFCQ-MGCOHNPYSA-N -1 1 315.333 0.510 20 0 DCADMM CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000973907073 659026010 /nfs/dbraw/zinc/02/60/10/659026010.db2.gz ASMZDJMLOQUOTI-SRRSOLGSSA-N -1 1 319.361 0.589 20 0 DCADMM Cn1nccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000973938642 659067158 /nfs/dbraw/zinc/06/71/58/659067158.db2.gz FAAIZHFSUFIYSP-AOOOYVTPSA-N -1 1 315.333 0.212 20 0 DCADMM O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCO2)C1)c1ncccc1[O-] ZINC000974031385 659155755 /nfs/dbraw/zinc/15/57/55/659155755.db2.gz FQQLXEHEXQQEPW-LOWVWBTDSA-N -1 1 319.361 0.733 20 0 DCADMM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21)c1ccccn1 ZINC000976056151 659169944 /nfs/dbraw/zinc/16/99/44/659169944.db2.gz BIXHWVBJZRDNMH-YABSGUDNSA-N -1 1 324.340 0.683 20 0 DCADMM O=C(N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1csnn1 ZINC000974055641 659171486 /nfs/dbraw/zinc/17/14/86/659171486.db2.gz KAKCEUQTSUPJSF-OCAPTIKFSA-N -1 1 319.346 0.330 20 0 DCADMM COC1CC(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000973198580 659174889 /nfs/dbraw/zinc/17/48/89/659174889.db2.gz ZYAOQQACHXGSIB-XKVACCQBSA-N -1 1 319.361 0.589 20 0 DCADMM O=C(N[C@H]1C[C@H](NC(=O)[C@H]2CC23CC3)C1)c1ncccc1[O-] ZINC000973198566 659175203 /nfs/dbraw/zinc/17/52/03/659175203.db2.gz ZMVRHZMWKMGPAM-GMTAPVOTSA-N -1 1 301.346 0.964 20 0 DCADMM COCc1nc(N2CCC(Cn3cncn3)CC2)cc(=O)[n-]1 ZINC000893267655 659228306 /nfs/dbraw/zinc/22/83/06/659228306.db2.gz VECRCADJOLYDRU-UHFFFAOYSA-N -1 1 304.354 0.837 20 0 DCADMM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21)[C@@H]1CC1(F)F ZINC000976481493 659349608 /nfs/dbraw/zinc/34/96/08/659349608.db2.gz LUVIYDKXAAUPKV-QCBRBAQYSA-N -1 1 323.299 0.629 20 0 DCADMM C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)c2ncccc2O)C1 ZINC001027384775 659386560 /nfs/dbraw/zinc/38/65/60/659386560.db2.gz YKVGZJOKLOBHME-QWRGUYRKSA-N -1 1 306.366 0.197 20 0 DCADMM O=C(N[C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1)c1ncccc1[O-] ZINC000936265037 659403986 /nfs/dbraw/zinc/40/39/86/659403986.db2.gz ATXYURRGDMTWIV-GHMZBOCLSA-N -1 1 301.346 0.918 20 0 DCADMM CC(=O)N1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC001009669921 659501138 /nfs/dbraw/zinc/50/11/38/659501138.db2.gz MUGQRUPNOGFEHS-UHFFFAOYSA-N -1 1 306.366 0.918 20 0 DCADMM Cc1ncc(C(=O)N2CC[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)[nH]1 ZINC000940039115 665690540 /nfs/dbraw/zinc/69/05/40/665690540.db2.gz ZOSNEZYURAQTEG-SECBINFHSA-N -1 1 318.337 0.100 20 0 DCADMM Cn1[n-]c(C[NH2+][C@H]2C[C@H](NC(=O)CC3=CCCCC3)C2)nc1=O ZINC001020027253 659648506 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666520943 /nfs/dbraw/zinc/52/09/43/666520943.db2.gz RNGXATAAYDDSNA-UHFFFAOYSA-N -1 1 316.317 0.586 20 0 DCADMM Cc1c[nH]cc1C(=O)N1CC[C@H](C)[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001005028567 666645790 /nfs/dbraw/zinc/64/57/90/666645790.db2.gz PMEXXLQGAGWYLR-ZANVPECISA-N -1 1 316.365 0.722 20 0 DCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(F)F)c1ncccc1[O-] ZINC000996143184 666743906 /nfs/dbraw/zinc/74/39/06/666743906.db2.gz BHKQGTFPBLGNOO-VGMNWLOBSA-N -1 1 311.288 0.914 20 0 DCADMM CC[C@H](C(N)=O)N1CCC(N(C)C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001005263810 666789223 /nfs/dbraw/zinc/78/92/23/666789223.db2.gz WZUISYKZKBNGNF-LLVKDONJSA-N -1 1 323.397 0.224 20 0 DCADMM CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000996457187 666796580 /nfs/dbraw/zinc/79/65/80/666796580.db2.gz NCDWNKZDNLHMND-BONVTDFDSA-N -1 1 323.397 0.264 20 0 DCADMM C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(C)(C)C ZINC000734498389 666882831 /nfs/dbraw/zinc/88/28/31/666882831.db2.gz JTJSMWCZTMZQSQ-VIFPVBQESA-N -1 1 317.411 0.045 20 0 DCADMM O=C(CCCCc1cn[nH]n1)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861161030 666906170 /nfs/dbraw/zinc/90/61/70/666906170.db2.gz OXWBDEGBFPKOSH-UHFFFAOYSA-N -1 1 322.337 0.761 20 0 DCADMM Cn1[n-]c(CN2CCCC[C@@H](NC(=O)C3CCC3)C2)nc1=O ZINC001034081111 666913278 /nfs/dbraw/zinc/91/32/78/666913278.db2.gz WCSCYUONJKVCDE-GFCCVEGCSA-N -1 1 307.398 0.379 20 0 DCADMM CNC(=O)CN1CCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001034181686 666949328 /nfs/dbraw/zinc/94/93/28/666949328.db2.gz ODJBJQMCIUVDRF-NSHDSACASA-N -1 1 306.366 0.118 20 0 DCADMM Cc1nn(C)c(C)c1-c1cc(C(=O)[N-]N2CCOC2=O)n[nH]1 ZINC000862698778 667071499 /nfs/dbraw/zinc/07/14/99/667071499.db2.gz FZPDMCSPFWQFDQ-UHFFFAOYSA-N -1 1 304.310 0.524 20 0 DCADMM CCC(C)(C)OC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000862716413 667074351 /nfs/dbraw/zinc/07/43/51/667074351.db2.gz CSBDRHJWGGMYPG-UHFFFAOYSA-N -1 1 309.366 0.343 20 0 DCADMM O=C(Cc1cccs1)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001034843781 667164130 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O=C([O-])C[C@@H](NC(=O)CCc1nn[nH]n1)c1ccc(F)cc1 ZINC001574358079 1163704615 /nfs/dbraw/zinc/70/46/15/1163704615.db2.gz UHKMTCFNQCVDBW-SNVBAGLBSA-N -1 1 307.285 0.604 20 0 DCADMM O=C([O-])COc1ccc(CCNC(=O)c2cnncc2O)cc1 ZINC001574371707 1163708479 /nfs/dbraw/zinc/70/84/79/1163708479.db2.gz JIIRIPDFPDDTIT-UHFFFAOYSA-N -1 1 317.301 0.618 20 0 DCADMM O=C([O-])Cc1csc(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)n1 ZINC001574375657 1163709391 /nfs/dbraw/zinc/70/93/91/1163709391.db2.gz UPWRCSABRLAJMQ-RKDXNWHRSA-N -1 1 306.347 0.913 20 0 DCADMM CC(C)[C@H](NC(N)=O)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001574398224 1163713726 /nfs/dbraw/zinc/71/37/26/1163713726.db2.gz RZRXPLSHTGCBNH-VIFPVBQESA-N -1 1 323.382 0.237 20 0 DCADMM O=C([O-])c1c[nH]nc1[C@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC001574415953 1163717546 /nfs/dbraw/zinc/71/75/46/1163717546.db2.gz ZLNRCUUQIRSTTG-QMMMGPOBSA-N -1 1 304.310 0.175 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001574430286 1163721660 /nfs/dbraw/zinc/72/16/60/1163721660.db2.gz DMZKYFBAISGJEG-PSASIEDQSA-N -1 1 306.322 0.093 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001574431268 1163722807 /nfs/dbraw/zinc/72/28/07/1163722807.db2.gz VBPKMMHFUAMPHY-DTWKUNHWSA-N -1 1 307.306 0.377 20 0 DCADMM C[C@H](C[C@H](C)Nc1nccnc1-c1nnn[n-]1)NC(=O)C1CC1 ZINC001574552031 1163731870 /nfs/dbraw/zinc/73/18/70/1163731870.db2.gz CJLZSXSMZXSMKP-DTWKUNHWSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@H](C[C@H](C)Nc1nccnc1-c1nn[n-]n1)NC(=O)C1CC1 ZINC001574552031 1163731876 /nfs/dbraw/zinc/73/18/76/1163731876.db2.gz CJLZSXSMZXSMKP-DTWKUNHWSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@H](O)[C@H](NCc1cc(Br)cnc1F)C(=O)[O-] ZINC001574662366 1163739689 /nfs/dbraw/zinc/73/96/89/1163739689.db2.gz MNAICDHYYGXHIO-XNCJUZBTSA-N -1 1 307.119 0.907 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574829535 1163761867 /nfs/dbraw/zinc/76/18/67/1163761867.db2.gz DKXQHHQNELAIFP-VIFPVBQESA-N -1 1 318.385 0.867 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574829535 1163761870 /nfs/dbraw/zinc/76/18/70/1163761870.db2.gz DKXQHHQNELAIFP-VIFPVBQESA-N -1 1 318.385 0.867 20 0 DCADMM C[C@H](CNC(=O)C1(C)CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574846075 1163769826 /nfs/dbraw/zinc/76/98/26/1163769826.db2.gz HLPHJEFFIQBFRC-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)C1(C)CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574846075 1163769830 /nfs/dbraw/zinc/76/98/30/1163769830.db2.gz HLPHJEFFIQBFRC-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574862584 1163776512 /nfs/dbraw/zinc/77/65/12/1163776512.db2.gz USNBQKISGPSKKB-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574862584 1163776521 /nfs/dbraw/zinc/77/65/21/1163776521.db2.gz USNBQKISGPSKKB-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)C1CCC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574867050 1163778338 /nfs/dbraw/zinc/77/83/38/1163778338.db2.gz BBVMJTGQKFQIGC-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CNC(=O)C1CCC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574867050 1163778344 /nfs/dbraw/zinc/77/83/44/1163778344.db2.gz BBVMJTGQKFQIGC-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CNC(=O)CC1(C)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574894967 1163789789 /nfs/dbraw/zinc/78/97/89/1163789789.db2.gz NDNIRWPXLFAKAD-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM C[C@H](CNC(=O)CC1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574896081 1163790411 /nfs/dbraw/zinc/79/04/11/1163790411.db2.gz VIZBFRDSGLLTNB-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)CC1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574896081 1163790417 /nfs/dbraw/zinc/79/04/17/1163790417.db2.gz VIZBFRDSGLLTNB-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)CCC1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574909076 1163795470 /nfs/dbraw/zinc/79/54/70/1163795470.db2.gz MLNDENZLVPQURQ-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)CCC1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574909076 1163795481 /nfs/dbraw/zinc/79/54/81/1163795481.db2.gz MLNDENZLVPQURQ-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576402561 1164327116 /nfs/dbraw/zinc/32/71/16/1164327116.db2.gz XYNXOZZGQGFICG-YVFTVSHDSA-N -1 1 316.369 0.848 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576402561 1164327122 /nfs/dbraw/zinc/32/71/22/1164327122.db2.gz XYNXOZZGQGFICG-YVFTVSHDSA-N -1 1 316.369 0.848 20 0 DCADMM CCC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001576410534 1164332475 /nfs/dbraw/zinc/33/24/75/1164332475.db2.gz KEMARRILUZQXBQ-LLVKDONJSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001576410534 1164332480 /nfs/dbraw/zinc/33/24/80/1164332480.db2.gz KEMARRILUZQXBQ-LLVKDONJSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576417004 1164336120 /nfs/dbraw/zinc/33/61/20/1164336120.db2.gz VFTSKCKJYBNDIG-JTQLQIEISA-N -1 1 316.369 0.139 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001576425159 1164340592 /nfs/dbraw/zinc/34/05/92/1164340592.db2.gz FNOAMONWPSLSGJ-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001576425159 1164340597 /nfs/dbraw/zinc/34/05/97/1164340597.db2.gz FNOAMONWPSLSGJ-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001576470459 1164354676 /nfs/dbraw/zinc/35/46/76/1164354676.db2.gz CWYBXEDDYKHHBG-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001576470459 1164354689 /nfs/dbraw/zinc/35/46/89/1164354689.db2.gz CWYBXEDDYKHHBG-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCOCC(=O)NCCCN(C)C(=O)c1ncccc1[O-] ZINC001576837936 1164486873 /nfs/dbraw/zinc/48/68/73/1164486873.db2.gz HWCMPLGAWQDECH-UHFFFAOYSA-N -1 1 309.366 0.792 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576952660 1164551954 /nfs/dbraw/zinc/55/19/54/1164551954.db2.gz DBYWGNAAUUZWIE-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001576957397 1164558544 /nfs/dbraw/zinc/55/85/44/1164558544.db2.gz RWHDYHVRUOHJAK-RKDXNWHRSA-N -1 1 322.348 0.569 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001576957397 1164558548 /nfs/dbraw/zinc/55/85/48/1164558548.db2.gz RWHDYHVRUOHJAK-RKDXNWHRSA-N -1 1 322.348 0.569 20 0 DCADMM CC/C=C(\C)C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001577183050 1164625582 /nfs/dbraw/zinc/62/55/82/1164625582.db2.gz VZXZIDNDVRCLAM-RUDMXATFSA-N -1 1 302.342 0.541 20 0 DCADMM CC/C=C(\C)C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001577183050 1164625586 /nfs/dbraw/zinc/62/55/86/1164625586.db2.gz VZXZIDNDVRCLAM-RUDMXATFSA-N -1 1 302.342 0.541 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001577194531 1164629603 /nfs/dbraw/zinc/62/96/03/1164629603.db2.gz LOQQMRMRIVELFQ-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001577194531 1164629606 /nfs/dbraw/zinc/62/96/06/1164629606.db2.gz LOQQMRMRIVELFQ-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)NCCN(CCC)c1ccc(-c2nnn[n-]2)nn1 ZINC001577219108 1164639319 /nfs/dbraw/zinc/63/93/19/1164639319.db2.gz YHQXVRCCVQMNNW-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCC(=O)NCCN(CCC)c1ccc(-c2nn[n-]n2)nn1 ZINC001577219108 1164639324 /nfs/dbraw/zinc/63/93/24/1164639324.db2.gz YHQXVRCCVQMNNW-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001577221380 1164641881 /nfs/dbraw/zinc/64/18/81/1164641881.db2.gz LPYWQAKAOGLJKB-NXEZZACHSA-N -1 1 316.369 0.398 20 0 DCADMM CCCCC(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001577396641 1164684985 /nfs/dbraw/zinc/68/49/85/1164684985.db2.gz YWDPWQUXQITFKQ-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCCC(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001577396641 1164684989 /nfs/dbraw/zinc/68/49/89/1164684989.db2.gz YWDPWQUXQITFKQ-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001577407249 1164685719 /nfs/dbraw/zinc/68/57/19/1164685719.db2.gz YZLLAFULQWMIFR-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001577407249 1164685725 /nfs/dbraw/zinc/68/57/25/1164685725.db2.gz YZLLAFULQWMIFR-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577407216 1164686113 /nfs/dbraw/zinc/68/61/13/1164686113.db2.gz XYQNHCZOFNESCU-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577407216 1164686117 /nfs/dbraw/zinc/68/61/17/1164686117.db2.gz XYQNHCZOFNESCU-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCCC(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577416066 1164687234 /nfs/dbraw/zinc/68/72/34/1164687234.db2.gz BQRNKRLNTBFNGF-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577416066 1164687243 /nfs/dbraw/zinc/68/72/43/1164687243.db2.gz BQRNKRLNTBFNGF-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCO[C@H]1COCC[C@@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001578340994 1164976838 /nfs/dbraw/zinc/97/68/38/1164976838.db2.gz JNGVKPRCWZVGOY-SCZZXKLOSA-N -1 1 321.341 0.360 20 0 DCADMM CC[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001578421853 1165010750 /nfs/dbraw/zinc/01/07/50/1165010750.db2.gz DRUPKWJBSAEMQO-PHDIDXHHSA-N -1 1 318.263 0.476 20 0 DCADMM CCn1ccc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)n1 ZINC001578774804 1165104708 /nfs/dbraw/zinc/10/47/08/1165104708.db2.gz KIPOSMJTPBXUIR-UHFFFAOYSA-N -1 1 314.309 0.744 20 0 DCADMM CN(C)C(=O)CCNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001578957436 1165169154 /nfs/dbraw/zinc/16/91/54/1165169154.db2.gz XVESNYXSNWIAHA-UHFFFAOYSA-N -1 1 323.382 0.206 20 0 DCADMM CN(C)C(=O)c1cccc(Cn2ccc(-c3nn[n-]n3)cc2=O)c1 ZINC001578962054 1165171857 /nfs/dbraw/zinc/17/18/57/1165171857.db2.gz DGWNXFDWWGNCSP-UHFFFAOYSA-N -1 1 324.344 0.779 20 0 DCADMM CN(C)c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001578999030 1165183827 /nfs/dbraw/zinc/18/38/27/1165183827.db2.gz UETUGZMTBSVQJQ-UHFFFAOYSA-N -1 1 324.348 0.999 20 0 DCADMM CN(CC1(O)CCOCC1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579063693 1165197856 /nfs/dbraw/zinc/19/78/56/1165197856.db2.gz JEMJGWYVUHUMIR-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM CN(CCNC(=O)CC1(C)CC1)c1nccnc1-c1nnn[n-]1 ZINC001579173714 1165230401 /nfs/dbraw/zinc/23/04/01/1165230401.db2.gz DXWONFZTVLXDGD-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)CC1(C)CC1)c1nccnc1-c1nn[n-]n1 ZINC001579173714 1165230410 /nfs/dbraw/zinc/23/04/10/1165230410.db2.gz DXWONFZTVLXDGD-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)CC1(C)CC1 ZINC001579215581 1165240949 /nfs/dbraw/zinc/24/09/49/1165240949.db2.gz VCMFHWVPOOINAM-UHFFFAOYSA-N -1 1 316.369 0.139 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)CC(C)(C)C ZINC001579225515 1165243462 /nfs/dbraw/zinc/24/34/62/1165243462.db2.gz SRULJUKYNRXQQD-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)CC(C)(C)C ZINC001579225515 1165243469 /nfs/dbraw/zinc/24/34/69/1165243469.db2.gz SRULJUKYNRXQQD-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CN1C(=O)c2ccccc2[C@@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001579312301 1165268609 /nfs/dbraw/zinc/26/86/09/1165268609.db2.gz VSEVEWFLGAPSBY-LBPRGKRZSA-N -1 1 322.332 0.896 20 0 DCADMM CNC(=O)[C@@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001579387367 1165295296 /nfs/dbraw/zinc/29/52/96/1165295296.db2.gz ZVCGYXYCDNLTJV-SSDOTTSWSA-N -1 1 306.351 0.136 20 0 DCADMM CNC(=O)N[C@H]1CCCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001579401032 1165298787 /nfs/dbraw/zinc/29/87/87/1165298787.db2.gz JPUPYNOQRACBCN-QMMMGPOBSA-N -1 1 322.398 0.217 20 0 DCADMM CNC(=O)N[C@H]1CCCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001579401032 1165298795 /nfs/dbraw/zinc/29/87/95/1165298795.db2.gz JPUPYNOQRACBCN-QMMMGPOBSA-N -1 1 322.398 0.217 20 0 DCADMM CNC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001579401567 1165299814 /nfs/dbraw/zinc/29/98/14/1165299814.db2.gz RWOQQSCDQRIJHQ-MRVPVSSYSA-N -1 1 322.398 0.529 20 0 DCADMM CNc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)nc1 ZINC001579431319 1165308278 /nfs/dbraw/zinc/30/82/78/1165308278.db2.gz LLMUZEVEAPMTNI-UHFFFAOYSA-N -1 1 316.350 0.690 20 0 DCADMM CNc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)nc1 ZINC001579431319 1165308284 /nfs/dbraw/zinc/30/82/84/1165308284.db2.gz LLMUZEVEAPMTNI-UHFFFAOYSA-N -1 1 316.350 0.690 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001579472807 1165323218 /nfs/dbraw/zinc/32/32/18/1165323218.db2.gz JUJYRRSQRWKWIU-UJVNDKKSSA-N -1 1 301.310 0.410 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001579472807 1165323226 /nfs/dbraw/zinc/32/32/26/1165323226.db2.gz JUJYRRSQRWKWIU-UJVNDKKSSA-N -1 1 301.310 0.410 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2nocc2C)c1 ZINC001579477342 1165326976 /nfs/dbraw/zinc/32/69/76/1165326976.db2.gz MCZQXJDNJNWTTF-UHFFFAOYSA-N -1 1 316.277 0.160 20 0 DCADMM COC(=O)c1ccnc(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001579488561 1165330113 /nfs/dbraw/zinc/33/01/13/1165330113.db2.gz KPLGQRXLWIJMAE-UHFFFAOYSA-N -1 1 312.293 0.450 20 0 DCADMM COC(=O)c1ccnc(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001579488561 1165330128 /nfs/dbraw/zinc/33/01/28/1165330128.db2.gz KPLGQRXLWIJMAE-UHFFFAOYSA-N -1 1 312.293 0.450 20 0 DCADMM COC(=O)c1cnc(CNc2cc(-c3nnn[n-]3)ncn2)s1 ZINC001579489233 1165331702 /nfs/dbraw/zinc/33/17/02/1165331702.db2.gz UIDLWHBSIFAUKZ-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1cnc(CNc2cc(-c3nn[n-]n3)ncn2)s1 ZINC001579489233 1165331703 /nfs/dbraw/zinc/33/17/03/1165331703.db2.gz UIDLWHBSIFAUKZ-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC1(CNC(=O)c2csc(-c3nn[n-]n3)c2)CCOCC1 ZINC001579602415 1165357477 /nfs/dbraw/zinc/35/74/77/1165357477.db2.gz ITJREBZIVUMKJQ-UHFFFAOYSA-N -1 1 323.378 0.854 20 0 DCADMM CO[C@H]1CC[C@H]1N(C)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001579614238 1165359683 /nfs/dbraw/zinc/35/96/83/1165359683.db2.gz DGQBCSNGWOXYGH-ZJUUUORDSA-N -1 1 318.337 0.525 20 0 DCADMM COc1cc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)nn1C ZINC001579915286 1165435299 /nfs/dbraw/zinc/43/52/99/1165435299.db2.gz BNXNMRUDFAJQMO-UHFFFAOYSA-N -1 1 320.338 0.626 20 0 DCADMM COc1cc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)nn1C ZINC001579915286 1165435306 /nfs/dbraw/zinc/43/53/06/1165435306.db2.gz BNXNMRUDFAJQMO-UHFFFAOYSA-N -1 1 320.338 0.626 20 0 DCADMM COc1cn(C)nc1[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001580100032 1165503068 /nfs/dbraw/zinc/50/30/68/1165503068.db2.gz BDFHCUHEEITZMW-QMMMGPOBSA-N -1 1 315.341 0.880 20 0 DCADMM COc1cn(C)nc1[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001580100032 1165503071 /nfs/dbraw/zinc/50/30/71/1165503071.db2.gz BDFHCUHEEITZMW-QMMMGPOBSA-N -1 1 315.341 0.880 20 0 DCADMM COc1ncc(NC(=O)NC[C@H](O)C2CC2)cc1-c1nn[n-]n1 ZINC001580136930 1165516655 /nfs/dbraw/zinc/51/66/55/1165516655.db2.gz TXVAQYIZMOYKKZ-JTQLQIEISA-N -1 1 319.325 0.163 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001580369566 1165587482 /nfs/dbraw/zinc/58/74/82/1165587482.db2.gz BHTOKAKQDFUROM-DOLQZWNJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001580369566 1165587490 /nfs/dbraw/zinc/58/74/90/1165587490.db2.gz BHTOKAKQDFUROM-DOLQZWNJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCC1CC1 ZINC001580416411 1165597972 /nfs/dbraw/zinc/59/79/72/1165597972.db2.gz DEDFEESPOGBMBH-SECBINFHSA-N -1 1 316.369 0.185 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CC1(F)F ZINC001580418755 1165598395 /nfs/dbraw/zinc/59/83/95/1165598395.db2.gz RMWYDTKHRHLJKN-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CC1(F)F ZINC001580418755 1165598402 /nfs/dbraw/zinc/59/84/02/1165598402.db2.gz RMWYDTKHRHLJKN-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM Cc1c[nH]c(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)n1 ZINC001580575873 1165643717 /nfs/dbraw/zinc/64/37/17/1165643717.db2.gz XIOFIPSWWSFHSE-UHFFFAOYSA-N -1 1 314.309 0.237 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCN(C)C(=O)C(C)(C)C)n1 ZINC001580740753 1165708238 /nfs/dbraw/zinc/70/82/38/1165708238.db2.gz ANOPRWLUNJYIBS-UHFFFAOYSA-N -1 1 318.385 0.882 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCN(C)C(=O)C(C)(C)C)n1 ZINC001580740753 1165708356 /nfs/dbraw/zinc/70/83/56/1165708356.db2.gz ANOPRWLUNJYIBS-UHFFFAOYSA-N -1 1 318.385 0.882 20 0 DCADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)nn1C(C)C ZINC001580980683 1165769024 /nfs/dbraw/zinc/76/90/24/1165769024.db2.gz MCHFHUPNFMGQAI-UHFFFAOYSA-N -1 1 316.329 0.183 20 0 DCADMM Cc1ccn2ncnc2c1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001581275150 1165808845 /nfs/dbraw/zinc/80/88/45/1165808845.db2.gz OXNNOVZYEIVSMM-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1ccn2ncnc2c1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001581275150 1165808848 /nfs/dbraw/zinc/80/88/48/1165808848.db2.gz OXNNOVZYEIVSMM-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCO[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC001581593899 1165847718 /nfs/dbraw/zinc/84/77/18/1165847718.db2.gz ZHHDTKJZTPDYPJ-KOLCDFICSA-N -1 1 317.353 0.662 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCO[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC001581593899 1165847725 /nfs/dbraw/zinc/84/77/25/1165847725.db2.gz ZHHDTKJZTPDYPJ-KOLCDFICSA-N -1 1 317.353 0.662 20 0 DCADMM Cc1onc(CC(=O)NC(C)(C)c2ncon2)c1-c1nnn[n-]1 ZINC001581739197 1165863957 /nfs/dbraw/zinc/86/39/57/1165863957.db2.gz MDSRJOXTBZFXSC-UHFFFAOYSA-N -1 1 318.297 0.140 20 0 DCADMM Cc1onc(CC(=O)NC(C)(C)c2ncon2)c1-c1nn[n-]n1 ZINC001581739197 1165863965 /nfs/dbraw/zinc/86/39/65/1165863965.db2.gz MDSRJOXTBZFXSC-UHFFFAOYSA-N -1 1 318.297 0.140 20 0 DCADMM Cn1c(=O)[nH]c(Sc2cccs2)c(-c2nn[n-]n2)c1=O ZINC001581748886 1165864952 /nfs/dbraw/zinc/86/49/52/1165864952.db2.gz ZABSZDUJDKBDFL-UHFFFAOYSA-N -1 1 308.348 0.466 20 0 DCADMM Clc1ccc(SCCc2nn[nH]n2)nc1-c1nnn[n-]1 ZINC001581745439 1165865365 /nfs/dbraw/zinc/86/53/65/1165865365.db2.gz DRWVYCMZEVGEKH-UHFFFAOYSA-N -1 1 309.746 0.763 20 0 DCADMM Clc1ccc(SCCc2nn[nH]n2)nc1-c1nn[n-]n1 ZINC001581745439 1165865371 /nfs/dbraw/zinc/86/53/71/1165865371.db2.gz DRWVYCMZEVGEKH-UHFFFAOYSA-N -1 1 309.746 0.763 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C(N)=O)s2)n1 ZINC001581754936 1165871431 /nfs/dbraw/zinc/87/14/31/1165871431.db2.gz VHOSRIGHMRSVAF-UHFFFAOYSA-N -1 1 318.322 0.013 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C(N)=O)s2)n1 ZINC001581754936 1165871434 /nfs/dbraw/zinc/87/14/34/1165871434.db2.gz VHOSRIGHMRSVAF-UHFFFAOYSA-N -1 1 318.322 0.013 20 0 DCADMM Cn1ccc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cc1=O ZINC001581791179 1165878238 /nfs/dbraw/zinc/87/82/38/1165878238.db2.gz DGLQOYMXESIEME-UHFFFAOYSA-N -1 1 324.344 0.264 20 0 DCADMM Cn1nccc1CCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001581840215 1165885481 /nfs/dbraw/zinc/88/54/81/1165885481.db2.gz NPDKITUWTACQDZ-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1nccc1CCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001581840215 1165885487 /nfs/dbraw/zinc/88/54/87/1165885487.db2.gz NPDKITUWTACQDZ-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM FC(F)CN1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001581851370 1165887983 /nfs/dbraw/zinc/88/79/83/1165887983.db2.gz TXMCZFJPIOOOCJ-QMMMGPOBSA-N -1 1 310.312 0.656 20 0 DCADMM FC(F)CN1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001581851370 1165887988 /nfs/dbraw/zinc/88/79/88/1165887988.db2.gz TXMCZFJPIOOOCJ-QMMMGPOBSA-N -1 1 310.312 0.656 20 0 DCADMM NC(=O)c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)ccc1F ZINC001581903656 1165907867 /nfs/dbraw/zinc/90/78/67/1165907867.db2.gz SGDORMIOSZIUTQ-UHFFFAOYSA-N -1 1 316.252 0.950 20 0 DCADMM NC(=O)c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)ccc1F ZINC001581903656 1165907868 /nfs/dbraw/zinc/90/78/68/1165907868.db2.gz SGDORMIOSZIUTQ-UHFFFAOYSA-N -1 1 316.252 0.950 20 0 DCADMM O=C(CNC(=O)CC1CCCC1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001581983821 1165929531 /nfs/dbraw/zinc/92/95/31/1165929531.db2.gz ZPTDDTWVOAXROM-UHFFFAOYSA-N -1 1 318.341 0.225 20 0 DCADMM O=C(CNC(=O)CC1CCCC1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001581983821 1165929537 /nfs/dbraw/zinc/92/95/37/1165929537.db2.gz ZPTDDTWVOAXROM-UHFFFAOYSA-N -1 1 318.341 0.225 20 0 DCADMM O=C(COC[C@H]1CCCO1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582126558 1165962060 /nfs/dbraw/zinc/96/20/60/1165962060.db2.gz VQFGFNIMNLZSFE-SECBINFHSA-N -1 1 323.378 0.740 20 0 DCADMM O=C(N[C@H](CO)c1ncc[nH]1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582231596 1165985689 /nfs/dbraw/zinc/98/56/89/1165985689.db2.gz GFNFLRXTNSBPJH-SECBINFHSA-N -1 1 317.284 0.192 20 0 DCADMM O=C(N[C@H](CO)c1ncc[nH]1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582231596 1165985694 /nfs/dbraw/zinc/98/56/94/1165985694.db2.gz GFNFLRXTNSBPJH-SECBINFHSA-N -1 1 317.284 0.192 20 0 DCADMM O=C(N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccc([O-])cn1 ZINC001582337128 1166003672 /nfs/dbraw/zinc/00/36/72/1166003672.db2.gz AIMGQPWBZLRDBP-GFCCVEGCSA-N -1 1 322.328 0.865 20 0 DCADMM O=C(CNC(=O)c1csc(-c2nn[n-]n2)c1)c1cncs1 ZINC001582338816 1166004435 /nfs/dbraw/zinc/00/44/35/1166004435.db2.gz NOKYPOAAXAZFTO-UHFFFAOYSA-N -1 1 320.359 0.997 20 0 DCADMM O=C(NCC=CCNc1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001582491783 1166026926 /nfs/dbraw/zinc/02/69/26/1166026926.db2.gz GCAHNHMCWZATAK-UPHRSURJSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCC=CCNc1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001582491783 1166026930 /nfs/dbraw/zinc/02/69/30/1166026930.db2.gz GCAHNHMCWZATAK-UPHRSURJSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCc1ccns1)c1cccc(-c2nnn[n-]2)n1 ZINC001582527069 1166033300 /nfs/dbraw/zinc/03/33/00/1166033300.db2.gz NEOQNXLPNRDNKP-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM O=C(NCCc1ccns1)c1cccc(-c2nn[n-]n2)n1 ZINC001582527069 1166033306 /nfs/dbraw/zinc/03/33/06/1166033306.db2.gz NEOQNXLPNRDNKP-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM O=C(NCCc1ncc[nH]1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582527883 1166033442 /nfs/dbraw/zinc/03/34/42/1166033442.db2.gz XBFAETRDTFQELI-UHFFFAOYSA-N -1 1 319.275 0.841 20 0 DCADMM O=C(NCCc1ncc[nH]1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582527883 1166033451 /nfs/dbraw/zinc/03/34/51/1166033451.db2.gz XBFAETRDTFQELI-UHFFFAOYSA-N -1 1 319.275 0.841 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2 ZINC001582554732 1166042336 /nfs/dbraw/zinc/04/23/36/1166042336.db2.gz RUJKLDNBWNJKHH-UHFFFAOYSA-N -1 1 324.300 0.920 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC001582554732 1166042343 /nfs/dbraw/zinc/04/23/43/1166042343.db2.gz RUJKLDNBWNJKHH-UHFFFAOYSA-N -1 1 324.300 0.920 20 0 DCADMM O=C(NCC1N=NC(=O)N1C1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001582557999 1166044812 /nfs/dbraw/zinc/04/48/12/1166044812.db2.gz CHEFZVDJNRQTTE-UHFFFAOYSA-N -1 1 316.281 0.022 20 0 DCADMM O=C(NCC1N=NC(=O)N1C1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001582557999 1166044821 /nfs/dbraw/zinc/04/48/21/1166044821.db2.gz CHEFZVDJNRQTTE-UHFFFAOYSA-N -1 1 316.281 0.022 20 0 DCADMM O=C(Nc1ccc2c(c1)C(=O)NCC2)c1coc(-c2nnn[n-]2)c1 ZINC001582642676 1166059846 /nfs/dbraw/zinc/05/98/46/1166059846.db2.gz 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DCADMM CC(C)[C@H](NC(N)=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001589765963 1166686330 /nfs/dbraw/zinc/68/63/30/1166686330.db2.gz RTYOYBNCLZJRLZ-JTQLQIEISA-N -1 1 319.325 0.204 20 0 DCADMM C[C@@H](CCCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CC1 ZINC001589814786 1166692243 /nfs/dbraw/zinc/69/22/43/1166692243.db2.gz PEIOVROTGWOFPI-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CC1 ZINC001589814786 1166692246 /nfs/dbraw/zinc/69/22/46/1166692246.db2.gz PEIOVROTGWOFPI-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001589851878 1166699888 /nfs/dbraw/zinc/69/98/88/1166699888.db2.gz OIXRVDGGTXWWGQ-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001589851878 1166699893 /nfs/dbraw/zinc/69/98/93/1166699893.db2.gz OIXRVDGGTXWWGQ-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CS(C)(=O)=O)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589886708 1166709338 /nfs/dbraw/zinc/70/93/38/1166709338.db2.gz LCRYUWZVABQZFZ-ZETCQYMHSA-N -1 1 314.323 0.184 20 0 DCADMM C[C@@H](CS(C)(=O)=O)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001589886708 1166709345 /nfs/dbraw/zinc/70/93/45/1166709345.db2.gz LCRYUWZVABQZFZ-ZETCQYMHSA-N -1 1 314.323 0.184 20 0 DCADMM C[C@H](Cn1cncn1)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589903902 1166712802 /nfs/dbraw/zinc/71/28/02/1166712802.db2.gz LNKRZAPIVQWEEO-MRVPVSSYSA-N -1 1 316.300 0.416 20 0 DCADMM C[C@H](Cn1cncn1)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589903902 1166712808 /nfs/dbraw/zinc/71/28/08/1166712808.db2.gz LNKRZAPIVQWEEO-MRVPVSSYSA-N -1 1 316.300 0.416 20 0 DCADMM C[C@H](Cc1ccccn1)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589900771 1166713618 /nfs/dbraw/zinc/71/36/18/1166713618.db2.gz COGMMQOXCOYXRC-LLVKDONJSA-N -1 1 323.360 0.947 20 0 DCADMM C[C@H](Cc1ccccn1)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589900771 1166713626 /nfs/dbraw/zinc/71/36/26/1166713626.db2.gz COGMMQOXCOYXRC-LLVKDONJSA-N -1 1 323.360 0.947 20 0 DCADMM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccns1 ZINC001589917611 1166719555 /nfs/dbraw/zinc/71/95/55/1166719555.db2.gz GCGUWRLMMSZLHS-BQBZGAKWSA-N -1 1 319.354 0.353 20 0 DCADMM C[C@@H](NC(=O)C1CC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589918752 1166720240 /nfs/dbraw/zinc/72/02/40/1166720240.db2.gz UOCAECKJUQNJDI-HTQZYQBOSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@@H](NC(=O)C1CC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589918752 1166720247 /nfs/dbraw/zinc/72/02/47/1166720247.db2.gz UOCAECKJUQNJDI-HTQZYQBOSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@H]([N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1)C(F)(F)F ZINC001589975958 1166731655 /nfs/dbraw/zinc/73/16/55/1166731655.db2.gz GLWXGSALVJAZJP-YFKPBYRVSA-N -1 1 322.272 0.491 20 0 DCADMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)C1N=NC(=O)N1C ZINC001589975234 1166733527 /nfs/dbraw/zinc/73/35/27/1166733527.db2.gz BDQXRVKESVAWCY-RXMQYKEDSA-N -1 1 307.343 0.008 20 0 DCADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)C1N=NC(=O)N1C ZINC001589975234 1166733532 /nfs/dbraw/zinc/73/35/32/1166733532.db2.gz BDQXRVKESVAWCY-RXMQYKEDSA-N -1 1 307.343 0.008 20 0 DCADMM C[C@H](O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001589993776 1166740012 /nfs/dbraw/zinc/74/00/12/1166740012.db2.gz ASXRHUQTABKNSC-LURJTMIESA-N -1 1 315.380 0.120 20 0 DCADMM C[C@H](O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001589993776 1166740017 /nfs/dbraw/zinc/74/00/17/1166740017.db2.gz ASXRHUQTABKNSC-LURJTMIESA-N -1 1 315.380 0.120 20 0 DCADMM C[C@H](O)C(C)(C)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589993450 1166740450 /nfs/dbraw/zinc/74/04/50/1166740450.db2.gz WKRYODIFDUCPJX-VIFPVBQESA-N -1 1 304.354 0.327 20 0 DCADMM C[C@H](O)C(C)(C)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589993450 1166740456 /nfs/dbraw/zinc/74/04/56/1166740456.db2.gz WKRYODIFDUCPJX-VIFPVBQESA-N -1 1 304.354 0.327 20 0 DCADMM C[C@H](O)C[C@H](C)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589994972 1166741642 /nfs/dbraw/zinc/74/16/42/1166741642.db2.gz AUVNVCLKJSMQPN-IUCAKERBSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@H](O)C[C@H](C)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589994972 1166741648 /nfs/dbraw/zinc/74/16/48/1166741648.db2.gz AUVNVCLKJSMQPN-IUCAKERBSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@H](OC(=O)c1ccsc1-c1nnn[n-]1)C(=O)NC1CC1 ZINC001590014632 1166752744 /nfs/dbraw/zinc/75/27/44/1166752744.db2.gz RCPWJOZENNGRLX-LURJTMIESA-N -1 1 307.335 0.752 20 0 DCADMM C[C@H](OC(=O)c1ccsc1-c1nn[n-]n1)C(=O)NC1CC1 ZINC001590014632 1166752749 /nfs/dbraw/zinc/75/27/49/1166752749.db2.gz RCPWJOZENNGRLX-LURJTMIESA-N -1 1 307.335 0.752 20 0 DCADMM C[C@@H](c1nc(Cc2cccnc2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590054915 1166760321 /nfs/dbraw/zinc/76/03/21/1166760321.db2.gz VUNJHUGTEKUMEU-QMMMGPOBSA-N -1 1 324.308 0.436 20 0 DCADMM CC1(C)C[C@H](O)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590085564 1166771498 /nfs/dbraw/zinc/77/14/98/1166771498.db2.gz SQSGVKZBRGPZCS-JTQLQIEISA-N -1 1 302.338 0.495 20 0 DCADMM CC1(C)C[C@H](O)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590085564 1166771508 /nfs/dbraw/zinc/77/15/08/1166771508.db2.gz SQSGVKZBRGPZCS-JTQLQIEISA-N -1 1 302.338 0.495 20 0 DCADMM CC1(C)CN(c2cc(-c3nnn[n-]3)ncn2)C[C@]2(CCOC2)O1 ZINC001590105465 1166773511 /nfs/dbraw/zinc/77/35/11/1166773511.db2.gz BQGVHLKFEDEIRF-AWEZNQCLSA-N -1 1 317.353 0.431 20 0 DCADMM CC1(C)CN(c2cc(-c3nn[n-]n3)ncn2)C[C@]2(CCOC2)O1 ZINC001590105465 1166773518 /nfs/dbraw/zinc/77/35/18/1166773518.db2.gz BQGVHLKFEDEIRF-AWEZNQCLSA-N -1 1 317.353 0.431 20 0 DCADMM CC1(C)OC[C@H](COC(=O)c2cccc(-c3nnn[n-]3)n2)O1 ZINC001590118148 1166781654 /nfs/dbraw/zinc/78/16/54/1166781654.db2.gz PTJRPFOMFVAFCL-QMMMGPOBSA-N -1 1 305.294 0.570 20 0 DCADMM CC1(C)OC[C@H](COC(=O)c2cccc(-c3nn[n-]n3)n2)O1 ZINC001590118148 1166781662 /nfs/dbraw/zinc/78/16/62/1166781662.db2.gz PTJRPFOMFVAFCL-QMMMGPOBSA-N -1 1 305.294 0.570 20 0 DCADMM C[C@]1(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)CCCO1 ZINC001590133441 1166783512 /nfs/dbraw/zinc/78/35/12/1166783512.db2.gz CQBOXBDNEZGEEX-GFCCVEGCSA-N -1 1 324.366 0.109 20 0 DCADMM CC1(O)CN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001590150298 1166790697 /nfs/dbraw/zinc/79/06/97/1166790697.db2.gz OVQJXQSCYVPIGF-UHFFFAOYSA-N -1 1 300.244 0.852 20 0 DCADMM CC1(O)CN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001590150298 1166790703 /nfs/dbraw/zinc/79/07/03/1166790703.db2.gz OVQJXQSCYVPIGF-UHFFFAOYSA-N -1 1 300.244 0.852 20 0 DCADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590169856 1166798809 /nfs/dbraw/zinc/79/88/09/1166798809.db2.gz ZIWKOABAWLPNBA-SEJYDQARSA-N -1 1 312.424 0.665 20 0 DCADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590169856 1166798817 /nfs/dbraw/zinc/79/88/17/1166798817.db2.gz ZIWKOABAWLPNBA-SEJYDQARSA-N -1 1 312.424 0.665 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@@H+]1CCF ZINC001590171470 1166798847 /nfs/dbraw/zinc/79/88/47/1166798847.db2.gz RIHPLJYPGUFFMX-KOLCDFICSA-N -1 1 321.360 0.747 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@H+]1CCF ZINC001590171470 1166798853 /nfs/dbraw/zinc/79/88/53/1166798853.db2.gz RIHPLJYPGUFFMX-KOLCDFICSA-N -1 1 321.360 0.747 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CO1 ZINC001590199481 1166810560 /nfs/dbraw/zinc/81/05/60/1166810560.db2.gz KZRJVYHADCAFTG-NKWVEPMBSA-N -1 1 309.355 0.300 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CO1 ZINC001590199481 1166810568 /nfs/dbraw/zinc/81/05/68/1166810568.db2.gz KZRJVYHADCAFTG-NKWVEPMBSA-N -1 1 309.355 0.300 20 0 DCADMM C[C@H]1CC=C(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590218192 1166817633 /nfs/dbraw/zinc/81/76/33/1166817633.db2.gz HPGYTEWRVLPGEF-VIFPVBQESA-N -1 1 302.342 0.321 20 0 DCADMM C[C@@H]1C[C@@]2(CC[C@@H](CNc3cc(-c4nnn[n-]4)ncn3)O2)CO1 ZINC001590221927 1166818038 /nfs/dbraw/zinc/81/80/38/1166818038.db2.gz VPLAGIKNKDSTBS-BFVZDQMLSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1C[C@@]2(CC[C@@H](CNc3cc(-c4nn[n-]n4)ncn3)O2)CO1 ZINC001590221927 1166818041 /nfs/dbraw/zinc/81/80/41/1166818041.db2.gz VPLAGIKNKDSTBS-BFVZDQMLSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1CC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@@H]1C ZINC001590239292 1166823918 /nfs/dbraw/zinc/82/39/18/1166823918.db2.gz XYHVBRFLRXFPCG-VGMNWLOBSA-N -1 1 319.369 0.903 20 0 DCADMM C[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CS1(=O)=O ZINC001590238420 1166825070 /nfs/dbraw/zinc/82/50/70/1166825070.db2.gz UCDNQJODZJYEOE-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CS1(=O)=O ZINC001590238420 1166825074 /nfs/dbraw/zinc/82/50/74/1166825074.db2.gz UCDNQJODZJYEOE-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CCC[C@H](C)N1C(=O)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001590242371 1166826228 /nfs/dbraw/zinc/82/62/28/1166826228.db2.gz GFYSMWYQDNRAIA-UWVGGRQHSA-N -1 1 317.353 0.213 20 0 DCADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@@H]1O ZINC001590277318 1166837161 /nfs/dbraw/zinc/83/71/61/1166837161.db2.gz VJGSKGVTDMQJOY-KCJUWKMLSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@@H]1O ZINC001590277318 1166837167 /nfs/dbraw/zinc/83/71/67/1166837167.db2.gz VJGSKGVTDMQJOY-KCJUWKMLSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001590275252 1166838687 /nfs/dbraw/zinc/83/86/87/1166838687.db2.gz BTSHJJCTXBRPCS-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001590275252 1166838692 /nfs/dbraw/zinc/83/86/92/1166838692.db2.gz BTSHJJCTXBRPCS-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H](C)C1O ZINC001590299664 1166848377 /nfs/dbraw/zinc/84/83/77/1166848377.db2.gz KOJSGFWHNCLCKN-RKDXNWHRSA-N -1 1 302.338 0.351 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H](C)C1O ZINC001590299664 1166848380 /nfs/dbraw/zinc/84/83/80/1166848380.db2.gz KOJSGFWHNCLCKN-RKDXNWHRSA-N -1 1 302.338 0.351 20 0 DCADMM C[C@@H]1CN(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](C)CO1 ZINC001590305868 1166851477 /nfs/dbraw/zinc/85/14/77/1166851477.db2.gz YXTOLCCZQTWJTJ-NXEZZACHSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@@H]1CN(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](C)CO1 ZINC001590305868 1166851483 /nfs/dbraw/zinc/85/14/83/1166851483.db2.gz YXTOLCCZQTWJTJ-NXEZZACHSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)CCC1=O ZINC001590308284 1166853952 /nfs/dbraw/zinc/85/39/52/1166853952.db2.gz HGAJMCTXJQEQKK-ZETCQYMHSA-N -1 1 311.323 0.059 20 0 DCADMM C[C@@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)C[C@H](C)[S@@]1=O ZINC001590306925 1166855186 /nfs/dbraw/zinc/85/51/86/1166855186.db2.gz KCGSRUDUYKJVGX-KVMNZBFOSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)C[C@H](C)[S@@]1=O ZINC001590306925 1166855194 /nfs/dbraw/zinc/85/51/94/1166855194.db2.gz KCGSRUDUYKJVGX-KVMNZBFOSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@H]1OCC[C@]12CN(c1ccnc(-c3nn[n-]n3)n1)C[C@@H](C)O2 ZINC001590313520 1166857707 /nfs/dbraw/zinc/85/77/07/1166857707.db2.gz DZYUAUSVXKUBTK-RULNRJAQSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC(=O)N1 ZINC001590311733 1166858505 /nfs/dbraw/zinc/85/85/05/1166858505.db2.gz FVKQRPZTHRZOQP-SECBINFHSA-N -1 1 309.333 0.740 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC(=O)N1 ZINC001590311733 1166858511 /nfs/dbraw/zinc/85/85/11/1166858511.db2.gz FVKQRPZTHRZOQP-SECBINFHSA-N -1 1 309.333 0.740 20 0 DCADMM C[C@H]1CN(c2cccnc2-c2nnn[n-]2)CCS(=O)(=O)C1 ZINC001590316476 1166859437 /nfs/dbraw/zinc/85/94/37/1166859437.db2.gz SCOUOARNOICHEU-VIFPVBQESA-N -1 1 308.367 0.133 20 0 DCADMM C[C@H]1CN(c2cccnc2-c2nn[n-]n2)CCS(=O)(=O)C1 ZINC001590316476 1166859441 /nfs/dbraw/zinc/85/94/41/1166859441.db2.gz SCOUOARNOICHEU-VIFPVBQESA-N -1 1 308.367 0.133 20 0 DCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H](C(F)(F)F)O1 ZINC001590316517 1166861094 /nfs/dbraw/zinc/86/10/94/1166861094.db2.gz SNQKAKAKXLFVEX-RNFRBKRXSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1cncc(-c3nnn[n-]3)n1)C[C@@H](C)O2 ZINC001590317318 1166863972 /nfs/dbraw/zinc/86/39/72/1166863972.db2.gz XPBVNSKIVMISKX-ISTVAULSSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1cncc(-c3nn[n-]n3)n1)C[C@@H](C)O2 ZINC001590317318 1166863974 /nfs/dbraw/zinc/86/39/74/1166863974.db2.gz XPBVNSKIVMISKX-ISTVAULSSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@@H]1COCCN1CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590326410 1166868553 /nfs/dbraw/zinc/86/85/53/1166868553.db2.gz RBUXRQSSBWZVEN-SECBINFHSA-N -1 1 322.394 0.379 20 0 DCADMM C[C@H]1OCC[C@@]12CN(c1cccnc1-c1nnn[n-]1)CCO2 ZINC001590333715 1166870503 /nfs/dbraw/zinc/87/05/03/1166870503.db2.gz JNVONWKWYNUBKV-QMTHXVAHSA-N -1 1 302.338 0.646 20 0 DCADMM C[C@H]1OCC[C@@]12CN(c1cccnc1-c1nn[n-]n1)CCO2 ZINC001590333715 1166870511 /nfs/dbraw/zinc/87/05/11/1166870511.db2.gz JNVONWKWYNUBKV-QMTHXVAHSA-N -1 1 302.338 0.646 20 0 DCADMM C[C@H]1OCC[C@]1(O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590333099 1166870850 /nfs/dbraw/zinc/87/08/50/1166870850.db2.gz BZMXLSCAJMQSEB-KRTXAFLBSA-N -1 1 310.745 0.867 20 0 DCADMM C[C@H]1OCC[C@]1(O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590333099 1166870858 /nfs/dbraw/zinc/87/08/58/1166870858.db2.gz BZMXLSCAJMQSEB-KRTXAFLBSA-N -1 1 310.745 0.867 20 0 DCADMM C[C@H]1OCC[C@]1(C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590335091 1166873836 /nfs/dbraw/zinc/87/38/36/1166873836.db2.gz UCBXUTOLKRTBDR-KRTXAFLBSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@H]1OCC[C@]1(C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590335091 1166873843 /nfs/dbraw/zinc/87/38/43/1166873843.db2.gz UCBXUTOLKRTBDR-KRTXAFLBSA-N -1 1 306.330 0.289 20 0 DCADMM C/C=C(\C)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590349284 1166879026 /nfs/dbraw/zinc/87/90/26/1166879026.db2.gz KOLSUMPTJWAHAT-RUDMXATFSA-N -1 1 302.342 0.175 20 0 DCADMM C/C=C(\C)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590349284 1166879033 /nfs/dbraw/zinc/87/90/33/1166879033.db2.gz KOLSUMPTJWAHAT-RUDMXATFSA-N -1 1 302.342 0.175 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001590353484 1166881408 /nfs/dbraw/zinc/88/14/08/1166881408.db2.gz JFFRIKQEKIHZFJ-BSKOKIOFSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001590353484 1166881422 /nfs/dbraw/zinc/88/14/22/1166881422.db2.gz 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ZINC001590396197 1166897324 /nfs/dbraw/zinc/89/73/24/1166897324.db2.gz CNWAMDPDHZAVHD-UWVGGRQHSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001590402729 1166898054 /nfs/dbraw/zinc/89/80/54/1166898054.db2.gz PFQOTFROEDXNBI-XCBNKYQSSA-N -1 1 307.358 0.908 20 0 DCADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001590402729 1166898057 /nfs/dbraw/zinc/89/80/57/1166898057.db2.gz PFQOTFROEDXNBI-XCBNKYQSSA-N -1 1 307.358 0.908 20 0 DCADMM CC[C@@H](C)CC(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590404673 1166900962 /nfs/dbraw/zinc/90/09/62/1166900962.db2.gz WRSDHCIWHXBVAF-SECBINFHSA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@@H](C)CC(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590404673 1166900967 /nfs/dbraw/zinc/90/09/67/1166900967.db2.gz WRSDHCIWHXBVAF-SECBINFHSA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590412570 1166901238 /nfs/dbraw/zinc/90/12/38/1166901238.db2.gz LTGMDQDTAIPJNZ-RKDXNWHRSA-N -1 1 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CCN(CCC(N)=O)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590692286 1166978857 /nfs/dbraw/zinc/97/88/57/1166978857.db2.gz LSKJGEIRLXBZKE-UHFFFAOYSA-N -1 1 302.342 0.236 20 0 DCADMM CCN1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)CNC1=O ZINC001590729045 1166987630 /nfs/dbraw/zinc/98/76/30/1166987630.db2.gz HVKOVZRKAGFSRA-ZETCQYMHSA-N -1 1 306.282 0.030 20 0 DCADMM CCN1CCC[C@@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)C1=O ZINC001590732907 1166991314 /nfs/dbraw/zinc/99/13/14/1166991314.db2.gz KYVJHMSBZSFTAU-SNVBAGLBSA-N -1 1 301.354 0.993 20 0 DCADMM CCN1CCC[C@@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)C1=O ZINC001590732907 1166991316 /nfs/dbraw/zinc/99/13/16/1166991316.db2.gz KYVJHMSBZSFTAU-SNVBAGLBSA-N -1 1 301.354 0.993 20 0 DCADMM CCOC(=O)[C@@H](C)C1CN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590750083 1167004044 /nfs/dbraw/zinc/00/40/44/1167004044.db2.gz GLTWCWYYVVAAQR-QMMMGPOBSA-N -1 1 322.394 0.954 20 0 DCADMM CCOC(=O)[C@@H](C)C1CN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590750083 1167004051 /nfs/dbraw/zinc/00/40/51/1167004051.db2.gz 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ZINC001590758508 1167009255 /nfs/dbraw/zinc/00/92/55/1167009255.db2.gz MRRYOIFUQHDKPY-VIFPVBQESA-N -1 1 301.310 0.142 20 0 DCADMM CCOC(=O)N1CC[C@@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001590767514 1167014586 /nfs/dbraw/zinc/01/45/86/1167014586.db2.gz MVBUTWLNMDOOCE-SNVBAGLBSA-N -1 1 317.353 0.635 20 0 DCADMM CCOC(=O)N1CC[C@@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001590767514 1167014591 /nfs/dbraw/zinc/01/45/91/1167014591.db2.gz MVBUTWLNMDOOCE-SNVBAGLBSA-N -1 1 317.353 0.635 20 0 DCADMM CCOC(=O)[C@@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590770504 1167016310 /nfs/dbraw/zinc/01/63/10/1167016310.db2.gz HNKYUHYSAJLTTH-BDAKNGLRSA-N -1 1 303.326 0.800 20 0 DCADMM CCOC(=O)[C@@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590770504 1167016318 /nfs/dbraw/zinc/01/63/18/1167016318.db2.gz HNKYUHYSAJLTTH-BDAKNGLRSA-N -1 1 303.326 0.800 20 0 DCADMM CCOCC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590800023 1167024202 /nfs/dbraw/zinc/02/42/02/1167024202.db2.gz YWNGHMRERHMAMY-UHFFFAOYSA-N -1 1 304.310 0.309 20 0 DCADMM CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590797058 1167024808 /nfs/dbraw/zinc/02/48/08/1167024808.db2.gz UGJGHWROLILTAJ-JQWIXIFHSA-N -1 1 321.337 0.692 20 0 DCADMM CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590797058 1167024814 /nfs/dbraw/zinc/02/48/14/1167024814.db2.gz UGJGHWROLILTAJ-JQWIXIFHSA-N -1 1 321.337 0.692 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)C(O)[C@H](C)C2)n1 ZINC001590904415 1167046547 /nfs/dbraw/zinc/04/65/47/1167046547.db2.gz BGRKBNHKVMIFAS-RKDXNWHRSA-N -1 1 303.370 0.672 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)C(O)[C@H](C)C2)n1 ZINC001590904415 1167046542 /nfs/dbraw/zinc/04/65/42/1167046542.db2.gz BGRKBNHKVMIFAS-RKDXNWHRSA-N -1 1 303.370 0.672 20 0 DCADMM CCc1nc(C)c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)o1 ZINC001590911658 1167048870 /nfs/dbraw/zinc/04/88/70/1167048870.db2.gz HZYMLPVQYNTDFL-UHFFFAOYSA-N -1 1 302.298 0.711 20 0 DCADMM CCc1nc(C)c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)o1 ZINC001590911658 1167048876 /nfs/dbraw/zinc/04/88/76/1167048876.db2.gz HZYMLPVQYNTDFL-UHFFFAOYSA-N -1 1 302.298 0.711 20 0 DCADMM CCc1ncc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cn1 ZINC001590925564 1167052419 /nfs/dbraw/zinc/05/24/19/1167052419.db2.gz VRCJQCNWPDVMRI-ZETCQYMHSA-N -1 1 314.313 0.010 20 0 DCADMM CCc1nn(C)c(OC)c1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590929060 1167054152 /nfs/dbraw/zinc/05/41/52/1167054152.db2.gz NLNHSPIJEPSRHK-UHFFFAOYSA-N -1 1 315.341 0.573 20 0 DCADMM CCc1nn(C)c(OC)c1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590929060 1167054159 /nfs/dbraw/zinc/05/41/59/1167054159.db2.gz NLNHSPIJEPSRHK-UHFFFAOYSA-N -1 1 315.341 0.573 20 0 DCADMM CCc1nn(CCOC(C)=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929676 1167054789 /nfs/dbraw/zinc/05/47/89/1167054789.db2.gz KGPKPQYJUFXGCD-UHFFFAOYSA-N -1 1 306.326 0.111 20 0 DCADMM CCn1cc(CN(C)C(=O)c2cccc(-c3nnn[n-]3)n2)cn1 ZINC001590952745 1167056852 /nfs/dbraw/zinc/05/68/52/1167056852.db2.gz BYDMHUXFGJNHAI-UHFFFAOYSA-N -1 1 312.337 0.750 20 0 DCADMM CCn1cc(CN(C)C(=O)c2cccc(-c3nn[n-]n3)n2)cn1 ZINC001590952745 1167056859 /nfs/dbraw/zinc/05/68/59/1167056859.db2.gz BYDMHUXFGJNHAI-UHFFFAOYSA-N -1 1 312.337 0.750 20 0 DCADMM CCn1nc(C)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001590964955 1167061333 /nfs/dbraw/zinc/06/13/33/1167061333.db2.gz PCKNQSKARCEQPY-UHFFFAOYSA-N -1 1 314.309 0.539 20 0 DCADMM CCn1nc(C)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001590964955 1167061341 /nfs/dbraw/zinc/06/13/41/1167061341.db2.gz PCKNQSKARCEQPY-UHFFFAOYSA-N -1 1 314.309 0.539 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(C(N)=O)cc1 ZINC001590992699 1167069424 /nfs/dbraw/zinc/06/94/24/1167069424.db2.gz UOLGEFFICQADOD-UHFFFAOYSA-N -1 1 323.316 0.637 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(C(N)=O)cc1 ZINC001590992699 1167069430 /nfs/dbraw/zinc/06/94/30/1167069430.db2.gz UOLGEFFICQADOD-UHFFFAOYSA-N -1 1 323.316 0.637 20 0 DCADMM CN(C)C(=O)[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001591002670 1167070804 /nfs/dbraw/zinc/07/08/04/1167070804.db2.gz QTNUEZBAMLFTHL-UWVGGRQHSA-N -1 1 316.369 0.138 20 0 DCADMM CN(C)C(=O)c1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001591005146 1167072940 /nfs/dbraw/zinc/07/29/40/1167072940.db2.gz YXLIIRQEDLKWGP-UHFFFAOYSA-N -1 1 324.348 0.971 20 0 DCADMM CN(C)C(=O)c1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001591005146 1167072944 /nfs/dbraw/zinc/07/29/44/1167072944.db2.gz YXLIIRQEDLKWGP-UHFFFAOYSA-N -1 1 324.348 0.971 20 0 DCADMM CN(C)c1ncc(CN(C)c2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001591035251 1167088767 /nfs/dbraw/zinc/08/87/67/1167088767.db2.gz CKBPZVBPBQXGOD-UHFFFAOYSA-N -1 1 312.341 0.149 20 0 DCADMM CN(C)c1ncc(CN(C)c2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001591035251 1167088774 /nfs/dbraw/zinc/08/87/74/1167088774.db2.gz CKBPZVBPBQXGOD-UHFFFAOYSA-N -1 1 312.341 0.149 20 0 DCADMM CN(C)c1ncccc1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591036059 1167089654 /nfs/dbraw/zinc/08/96/54/1167089654.db2.gz BFXBNIGOPADZDS-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(C)c1ncccc1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591036059 1167089655 /nfs/dbraw/zinc/08/96/55/1167089655.db2.gz BFXBNIGOPADZDS-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(CCC(=O)OC(C)(C)C)c1cnc(-c2nnn[n-]2)cn1 ZINC001591062463 1167097007 /nfs/dbraw/zinc/09/70/07/1167097007.db2.gz FBEOAISGPPPVKW-UHFFFAOYSA-N -1 1 305.342 0.825 20 0 DCADMM CN(CCC(=O)OC(C)(C)C)c1cnc(-c2nn[n-]n2)cn1 ZINC001591062463 1167097012 /nfs/dbraw/zinc/09/70/12/1167097012.db2.gz FBEOAISGPPPVKW-UHFFFAOYSA-N -1 1 305.342 0.825 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(C)(F)F ZINC001591086087 1167099072 /nfs/dbraw/zinc/09/90/72/1167099072.db2.gz BFUMCCZWFFYJMR-UHFFFAOYSA-N -1 1 314.300 0.218 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(C)(F)F ZINC001591086087 1167099079 /nfs/dbraw/zinc/09/90/79/1167099079.db2.gz BFUMCCZWFFYJMR-UHFFFAOYSA-N -1 1 314.300 0.218 20 0 DCADMM CN(CCCNc1cncc(-c2nnn[n-]2)n1)C(=O)CCCF ZINC001591084590 1167100612 /nfs/dbraw/zinc/10/06/12/1167100612.db2.gz IXDPVGXBSPUSLD-UHFFFAOYSA-N -1 1 322.348 0.667 20 0 DCADMM CN(CCCNc1cncc(-c2nn[n-]n2)n1)C(=O)CCCF ZINC001591084590 1167100613 /nfs/dbraw/zinc/10/06/13/1167100613.db2.gz IXDPVGXBSPUSLD-UHFFFAOYSA-N -1 1 322.348 0.667 20 0 DCADMM CNC(=O)[C@]1(C)CCN(c2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001591201242 1167147661 /nfs/dbraw/zinc/14/76/61/1167147661.db2.gz BXADYELUBNBKJR-CQSZACIVSA-N -1 1 301.354 0.533 20 0 DCADMM CNC(=O)[C@]1(C)CCN(c2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001591201242 1167147665 /nfs/dbraw/zinc/14/76/65/1167147665.db2.gz BXADYELUBNBKJR-CQSZACIVSA-N -1 1 301.354 0.533 20 0 DCADMM CNC(=O)C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001591203372 1167151094 /nfs/dbraw/zinc/15/10/94/1167151094.db2.gz AKGDYLIGVKUDEB-LBPRGKRZSA-N -1 1 324.348 0.946 20 0 DCADMM CNC(=O)C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001591203372 1167151096 /nfs/dbraw/zinc/15/10/96/1167151096.db2.gz AKGDYLIGVKUDEB-LBPRGKRZSA-N -1 1 324.348 0.946 20 0 DCADMM CNC(=O)c1cccc(Cn2ccc(-c3nn[n-]n3)cc2=O)c1 ZINC001591215102 1167159895 /nfs/dbraw/zinc/15/98/95/1167159895.db2.gz KXTYJJMZBJIAJT-UHFFFAOYSA-N -1 1 310.317 0.436 20 0 DCADMM COC(=O)[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591235292 1167169990 /nfs/dbraw/zinc/16/99/90/1167169990.db2.gz RKDGDEBDVQOWDU-JTQLQIEISA-N -1 1 304.310 0.189 20 0 DCADMM COC(=O)[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591235292 1167169996 /nfs/dbraw/zinc/16/99/96/1167169996.db2.gz RKDGDEBDVQOWDU-JTQLQIEISA-N -1 1 304.310 0.189 20 0 DCADMM COC(=O)[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591235294 1167170745 /nfs/dbraw/zinc/17/07/45/1167170745.db2.gz RKDGDEBDVQOWDU-SNVBAGLBSA-N -1 1 304.310 0.189 20 0 DCADMM COC(=O)[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591235294 1167170748 /nfs/dbraw/zinc/17/07/48/1167170748.db2.gz RKDGDEBDVQOWDU-SNVBAGLBSA-N -1 1 304.310 0.189 20 0 DCADMM COC(=O)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)CC1CC1 ZINC001591233393 1167171230 /nfs/dbraw/zinc/17/12/30/1167171230.db2.gz VTOLNJVNXRTJNV-VIFPVBQESA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)CC1CC1 ZINC001591233393 1167171236 /nfs/dbraw/zinc/17/12/36/1167171236.db2.gz VTOLNJVNXRTJNV-VIFPVBQESA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)[C@]1(F)CCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001591242617 1167172701 /nfs/dbraw/zinc/17/27/01/1167172701.db2.gz SDDOQJNZCQUMFY-NSHDSACASA-N -1 1 312.330 0.410 20 0 DCADMM COC(=O)/C=C\[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591257581 1167180910 /nfs/dbraw/zinc/18/09/10/1167180910.db2.gz SLWMJWYJFYGFMT-NFNQMPKISA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)/C=C\[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591257581 1167180915 /nfs/dbraw/zinc/18/09/15/1167180915.db2.gz SLWMJWYJFYGFMT-NFNQMPKISA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)C[C@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001591258694 1167183265 /nfs/dbraw/zinc/18/32/65/1167183265.db2.gz OXKPMAOMMZVXFO-SECBINFHSA-N -1 1 318.337 0.814 20 0 DCADMM COC(=O)C[C@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001591258694 1167183270 /nfs/dbraw/zinc/18/32/70/1167183270.db2.gz OXKPMAOMMZVXFO-SECBINFHSA-N -1 1 318.337 0.814 20 0 DCADMM COC(=O)CC1(COC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591260692 1167184277 /nfs/dbraw/zinc/18/42/77/1167184277.db2.gz ZYGVRNSEKOOIMN-UHFFFAOYSA-N -1 1 317.305 0.762 20 0 DCADMM COC(=O)CC1(COC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591260692 1167184282 /nfs/dbraw/zinc/18/42/82/1167184282.db2.gz ZYGVRNSEKOOIMN-UHFFFAOYSA-N -1 1 317.305 0.762 20 0 DCADMM COC(=O)C[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001591262630 1167186270 /nfs/dbraw/zinc/18/62/70/1167186270.db2.gz MZIWHOSJDKXXMY-VIFPVBQESA-N -1 1 307.310 0.224 20 0 DCADMM COC(=O)C[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001591262630 1167186271 /nfs/dbraw/zinc/18/62/71/1167186271.db2.gz MZIWHOSJDKXXMY-VIFPVBQESA-N -1 1 307.310 0.224 20 0 DCADMM COC(=O)NC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001591272665 1167190442 /nfs/dbraw/zinc/19/04/42/1167190442.db2.gz GJZXSMCONSDEPK-UHFFFAOYSA-N -1 1 318.341 0.290 20 0 DCADMM COC(=O)NC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001591272665 1167190446 /nfs/dbraw/zinc/19/04/46/1167190446.db2.gz GJZXSMCONSDEPK-UHFFFAOYSA-N -1 1 318.341 0.290 20 0 DCADMM COC(=O)N(C)CCN(C)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591271142 1167190576 /nfs/dbraw/zinc/19/05/76/1167190576.db2.gz FUZIDDOQHQPNRO-UHFFFAOYSA-N -1 1 306.330 0.100 20 0 DCADMM COC(=O)N(C)CCN(C)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591271142 1167190578 /nfs/dbraw/zinc/19/05/78/1167190578.db2.gz FUZIDDOQHQPNRO-UHFFFAOYSA-N -1 1 306.330 0.100 20 0 DCADMM COC(=O)c1cc(Cn2cncc(-c3nn[n-]n3)c2=O)oc1C ZINC001591289545 1167199690 /nfs/dbraw/zinc/19/96/90/1167199690.db2.gz YHWOJYOTPHTTTG-UHFFFAOYSA-N -1 1 316.277 0.160 20 0 DCADMM COC(=O)c1cc(COc2cccnc2-c2nnn[n-]2)on1 ZINC001591288623 1167201453 /nfs/dbraw/zinc/20/14/53/1167201453.db2.gz DMZCGTNDGDILNK-UHFFFAOYSA-N -1 1 302.250 0.615 20 0 DCADMM COC(=O)c1cc(COc2cccnc2-c2nn[n-]n2)on1 ZINC001591288623 1167201459 /nfs/dbraw/zinc/20/14/59/1167201459.db2.gz DMZCGTNDGDILNK-UHFFFAOYSA-N -1 1 302.250 0.615 20 0 DCADMM COC(=O)c1ccc(N[C@@H](C)C[C@@H](C)O)c(-c2nnn[n-]2)n1 ZINC001591295226 1167203055 /nfs/dbraw/zinc/20/30/55/1167203055.db2.gz CKZSQMKKCNTUKO-JGVFFNPUSA-N -1 1 306.326 0.620 20 0 DCADMM COC(=O)c1ccc(N[C@@H](C)C[C@@H](C)O)c(-c2nn[n-]n2)n1 ZINC001591295226 1167203066 /nfs/dbraw/zinc/20/30/66/1167203066.db2.gz CKZSQMKKCNTUKO-JGVFFNPUSA-N -1 1 306.326 0.620 20 0 DCADMM CO[C@@H](C)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591323382 1167214165 /nfs/dbraw/zinc/21/41/65/1167214165.db2.gz ZMXQDTHIUYGAKE-ZETCQYMHSA-N -1 1 317.396 0.584 20 0 DCADMM CO[C@@H](C)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591323382 1167214172 /nfs/dbraw/zinc/21/41/72/1167214172.db2.gz ZMXQDTHIUYGAKE-ZETCQYMHSA-N -1 1 317.396 0.584 20 0 DCADMM CO[C@H](CNc1ccnc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC001591329327 1167218571 /nfs/dbraw/zinc/21/85/71/1167218571.db2.gz PAIXKDTVUHFMQL-LBPRGKRZSA-N -1 1 311.349 0.748 20 0 DCADMM COC(COCCNc1nc(C)cc(-c2nnn[n-]2)n1)OC ZINC001591334380 1167220950 /nfs/dbraw/zinc/22/09/50/1167220950.db2.gz JLCJPLGLXMAITK-UHFFFAOYSA-N -1 1 309.330 0.013 20 0 DCADMM COC(COCCNc1nc(C)cc(-c2nn[n-]n2)n1)OC ZINC001591334380 1167220954 /nfs/dbraw/zinc/22/09/54/1167220954.db2.gz JLCJPLGLXMAITK-UHFFFAOYSA-N -1 1 309.330 0.013 20 0 DCADMM COC1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001591342382 1167221898 /nfs/dbraw/zinc/22/18/98/1167221898.db2.gz MHRVREHUJBQALB-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM COC1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001591342382 1167221902 /nfs/dbraw/zinc/22/19/02/1167221902.db2.gz MHRVREHUJBQALB-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM COC1(C)CN(C(=O)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001591338771 1167222385 /nfs/dbraw/zinc/22/23/85/1167222385.db2.gz MMPMMLROHDVOMU-UHFFFAOYSA-N -1 1 309.355 0.884 20 0 DCADMM COC1(C)CN(C(=O)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001591338771 1167222391 /nfs/dbraw/zinc/22/23/91/1167222391.db2.gz MMPMMLROHDVOMU-UHFFFAOYSA-N -1 1 309.355 0.884 20 0 DCADMM CO[C@@H]1C[C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC001591349350 1167226956 /nfs/dbraw/zinc/22/69/56/1167226956.db2.gz RTFYRNJXBAMVMA-NWDGAFQWSA-N -1 1 316.365 0.734 20 0 DCADMM CO[C@@H]1C[C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC001591349350 1167226963 /nfs/dbraw/zinc/22/69/63/1167226963.db2.gz RTFYRNJXBAMVMA-NWDGAFQWSA-N -1 1 316.365 0.734 20 0 DCADMM COC1CCC(NC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001591350430 1167228383 /nfs/dbraw/zinc/22/83/83/1167228383.db2.gz GIVNRLWJAJCMEO-UHFFFAOYSA-N -1 1 302.338 0.949 20 0 DCADMM COC1CCC(NC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001591350430 1167228389 /nfs/dbraw/zinc/22/83/89/1167228389.db2.gz GIVNRLWJAJCMEO-UHFFFAOYSA-N -1 1 302.338 0.949 20 0 DCADMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591362618 1167236031 /nfs/dbraw/zinc/23/60/31/1167236031.db2.gz SCFIAFNQJSNKII-ZYHUDNBSSA-N -1 1 302.338 0.807 20 0 DCADMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591362618 1167236039 /nfs/dbraw/zinc/23/60/39/1167236039.db2.gz SCFIAFNQJSNKII-ZYHUDNBSSA-N -1 1 302.338 0.807 20 0 DCADMM CO[C@@H]1COCC[C@H]1N(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591361344 1167237199 /nfs/dbraw/zinc/23/71/99/1167237199.db2.gz LPZZROCNXDUUBO-NXEZZACHSA-N -1 1 323.378 0.804 20 0 DCADMM CO[C@@H]1COCC[C@H]1N(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591361344 1167237206 /nfs/dbraw/zinc/23/72/06/1167237206.db2.gz LPZZROCNXDUUBO-NXEZZACHSA-N -1 1 323.378 0.804 20 0 DCADMM COC[C@@H](CCNC(=O)c1ccsc1-c1nnn[n-]1)OC ZINC001591375491 1167246944 /nfs/dbraw/zinc/24/69/44/1167246944.db2.gz FWPGCWSADSYLNV-MRVPVSSYSA-N -1 1 311.367 0.710 20 0 DCADMM COC[C@@H](CCNC(=O)c1ccsc1-c1nn[n-]n1)OC ZINC001591375491 1167246949 /nfs/dbraw/zinc/24/69/49/1167246949.db2.gz FWPGCWSADSYLNV-MRVPVSSYSA-N -1 1 311.367 0.710 20 0 DCADMM COC[C@H]1CCCN1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591394336 1167261824 /nfs/dbraw/zinc/26/18/24/1167261824.db2.gz QZPKGMKWCUHAPG-MRVPVSSYSA-N -1 1 308.367 0.684 20 0 DCADMM COC[C@H]1CCCN1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591394336 1167261832 /nfs/dbraw/zinc/26/18/32/1167261832.db2.gz QZPKGMKWCUHAPG-MRVPVSSYSA-N -1 1 308.367 0.684 20 0 DCADMM COC[C@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001591395573 1167263969 /nfs/dbraw/zinc/26/39/69/1167263969.db2.gz FKDZOQJNHISHRZ-WDEREUQCSA-N -1 1 304.354 0.810 20 0 DCADMM COC[C@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001591395573 1167263978 /nfs/dbraw/zinc/26/39/78/1167263978.db2.gz FKDZOQJNHISHRZ-WDEREUQCSA-N -1 1 304.354 0.810 20 0 DCADMM COC[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001591395269 1167264285 /nfs/dbraw/zinc/26/42/85/1167264285.db2.gz ASBXRSFVIBNGCF-APPZFPTMSA-N -1 1 310.383 0.872 20 0 DCADMM COC[C@H]1CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001591394501 1167264439 /nfs/dbraw/zinc/26/44/39/1167264439.db2.gz UBVVBWLHHJVUAF-QMMMGPOBSA-N -1 1 323.382 0.501 20 0 DCADMM COC[C@H]1CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001591394501 1167264447 /nfs/dbraw/zinc/26/44/47/1167264447.db2.gz UBVVBWLHHJVUAF-QMMMGPOBSA-N -1 1 323.382 0.501 20 0 DCADMM COCCCN(C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001591414358 1167271276 /nfs/dbraw/zinc/27/12/76/1167271276.db2.gz MOOJOFQSHSODBK-UHFFFAOYSA-N -1 1 318.381 0.443 20 0 DCADMM COCCN(CCC(=O)OC)c1ccnc(-c2nnn[n-]2)c1 ZINC001591423185 1167277987 /nfs/dbraw/zinc/27/79/87/1167277987.db2.gz YRIIKTFOOMJKPB-UHFFFAOYSA-N -1 1 306.326 0.278 20 0 DCADMM COCCN(CCC(=O)OC)c1ccnc(-c2nn[n-]n2)c1 ZINC001591423185 1167277994 /nfs/dbraw/zinc/27/79/94/1167277994.db2.gz YRIIKTFOOMJKPB-UHFFFAOYSA-N -1 1 306.326 0.278 20 0 DCADMM COCCOC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001591434059 1167287617 /nfs/dbraw/zinc/28/76/17/1167287617.db2.gz NILMMECRGBYAGF-UHFFFAOYSA-N -1 1 305.342 0.289 20 0 DCADMM COCc1nc(CNc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC001591460020 1167294433 /nfs/dbraw/zinc/29/44/33/1167294433.db2.gz RXQKHRQAPQGRIR-UHFFFAOYSA-N -1 1 303.351 0.899 20 0 DCADMM COCc1nc(CNc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC001591460020 1167294437 /nfs/dbraw/zinc/29/44/37/1167294437.db2.gz RXQKHRQAPQGRIR-UHFFFAOYSA-N -1 1 303.351 0.899 20 0 DCADMM CON(C)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1CC(C)C ZINC001591464196 1167296620 /nfs/dbraw/zinc/29/66/20/1167296620.db2.gz DYLXMSSIFGHAQR-UHFFFAOYSA-N -1 1 318.345 0.502 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1cc(C)n(C)n1 ZINC001591474825 1167306207 /nfs/dbraw/zinc/30/62/07/1167306207.db2.gz KASVJVJKYFUNIP-UHFFFAOYSA-N -1 1 301.310 0.127 20 0 DCADMM COc1cc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)on1 ZINC001591511587 1167317021 /nfs/dbraw/zinc/31/70/21/1167317021.db2.gz PRNZQRKSRTZYQW-UHFFFAOYSA-N -1 1 321.322 0.905 20 0 DCADMM COc1cc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)on1 ZINC001591511587 1167317025 /nfs/dbraw/zinc/31/70/25/1167317025.db2.gz PRNZQRKSRTZYQW-UHFFFAOYSA-N -1 1 321.322 0.905 20 0 DCADMM COc1cc(F)cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001591540842 1167328287 /nfs/dbraw/zinc/32/82/87/1167328287.db2.gz PZUVUVIXTICCTH-UHFFFAOYSA-N -1 1 318.272 0.245 20 0 DCADMM COc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)c(OC)n1 ZINC001591602199 1167336716 /nfs/dbraw/zinc/33/67/16/1167336716.db2.gz IQNQPOBRODZMAI-UHFFFAOYSA-N -1 1 313.321 0.708 20 0 DCADMM COc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)c(OC)n1 ZINC001591602199 1167336719 /nfs/dbraw/zinc/33/67/19/1167336719.db2.gz IQNQPOBRODZMAI-UHFFFAOYSA-N -1 1 313.321 0.708 20 0 DCADMM COc1cncc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)c1 ZINC001591658595 1167344061 /nfs/dbraw/zinc/34/40/61/1167344061.db2.gz CPFXQUBUNUCWSK-UHFFFAOYSA-N -1 1 324.344 0.969 20 0 DCADMM COc1ncccc1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591669009 1167346283 /nfs/dbraw/zinc/34/62/83/1167346283.db2.gz HPMDZNZBORYGBW-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1ncccc1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591669009 1167346286 /nfs/dbraw/zinc/34/62/86/1167346286.db2.gz HPMDZNZBORYGBW-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM CSCC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001591691971 1167356056 /nfs/dbraw/zinc/35/60/56/1167356056.db2.gz UUCGEKFDHSENAH-UHFFFAOYSA-N -1 1 306.351 0.636 20 0 DCADMM CSCC[C@H]1NC(=O)N(Cc2ccc(-c3nnn[n-]3)o2)C1=O ZINC001591698947 1167357607 /nfs/dbraw/zinc/35/76/07/1167357607.db2.gz DMMOFHJEJHZQKT-MRVPVSSYSA-N -1 1 322.350 0.633 20 0 DCADMM CSCC[C@H]1NC(=O)N(Cc2ccc(-c3nn[n-]n3)o2)C1=O ZINC001591698947 1167357610 /nfs/dbraw/zinc/35/76/10/1167357610.db2.gz DMMOFHJEJHZQKT-MRVPVSSYSA-N -1 1 322.350 0.633 20 0 DCADMM C[C@@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCC(=O)N1 ZINC001591758828 1167370122 /nfs/dbraw/zinc/37/01/22/1167370122.db2.gz KMZRJUWEOAZBAQ-ZDUSSCGKSA-N -1 1 302.294 0.180 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(CCNC3=O)CC2)n1 ZINC001591889324 1167411405 /nfs/dbraw/zinc/41/14/05/1167411405.db2.gz QUXUAOWWRNGCJD-UHFFFAOYSA-N -1 1 314.353 0.072 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(CCNC3=O)CC2)n1 ZINC001591889324 1167411408 /nfs/dbraw/zinc/41/14/08/1167411408.db2.gz QUXUAOWWRNGCJD-UHFFFAOYSA-N -1 1 314.353 0.072 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC(C)(C)[C@@]2(O)CCOC2)n1 ZINC001591893739 1167414128 /nfs/dbraw/zinc/41/41/28/1167414128.db2.gz RJMDWELUNSXHJI-CQSZACIVSA-N -1 1 319.369 0.555 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC(C)(C)[C@@]2(O)CCOC2)n1 ZINC001591893739 1167414130 /nfs/dbraw/zinc/41/41/30/1167414130.db2.gz RJMDWELUNSXHJI-CQSZACIVSA-N -1 1 319.369 0.555 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](CO)C2CCOCC2)n1 ZINC001591891743 1167414167 /nfs/dbraw/zinc/41/41/67/1167414167.db2.gz BBYDFDQUEPEKDY-LLVKDONJSA-N -1 1 305.342 0.165 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](CO)C2CCOCC2)n1 ZINC001591891743 1167414171 /nfs/dbraw/zinc/41/41/71/1167414171.db2.gz BBYDFDQUEPEKDY-LLVKDONJSA-N -1 1 305.342 0.165 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2nnc(C3CC3)n2C)n1 ZINC001591900837 1167415248 /nfs/dbraw/zinc/41/52/48/1167415248.db2.gz FDYBFRQJAWTIRE-UHFFFAOYSA-N -1 1 312.341 0.583 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2nnc(C3CC3)n2C)n1 ZINC001591900837 1167415252 /nfs/dbraw/zinc/41/52/52/1167415252.db2.gz FDYBFRQJAWTIRE-UHFFFAOYSA-N -1 1 312.341 0.583 20 0 DCADMM Cc1cc(C(=O)NCCNc2nccnc2-c2nnn[n-]2)co1 ZINC001591926903 1167420482 /nfs/dbraw/zinc/42/04/82/1167420482.db2.gz GNIPVCJARRKTRF-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1cc(C(=O)NCCNc2nccnc2-c2nn[n-]n2)co1 ZINC001591926903 1167420488 /nfs/dbraw/zinc/42/04/88/1167420488.db2.gz GNIPVCJARRKTRF-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1cc(NCC[C@H]2CCCS2(=O)=O)nc(-c2nnn[n-]2)c1 ZINC001592046141 1167445149 /nfs/dbraw/zinc/44/51/49/1167445149.db2.gz PKPMSHKUPDVDIY-SNVBAGLBSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1cc(NCC[C@H]2CCCS2(=O)=O)nc(-c2nn[n-]n2)c1 ZINC001592046141 1167445152 /nfs/dbraw/zinc/44/51/52/1167445152.db2.gz PKPMSHKUPDVDIY-SNVBAGLBSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CC(=O)N(CC2CC2)C1 ZINC001592115062 1167458112 /nfs/dbraw/zinc/45/81/12/1167458112.db2.gz XIGHIXKJUMWGSN-NSHDSACASA-N -1 1 313.365 0.993 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001592114643 1167459153 /nfs/dbraw/zinc/45/91/53/1167459153.db2.gz RVJATLGYVMBHHM-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001592114643 1167459157 /nfs/dbraw/zinc/45/91/57/1167459157.db2.gz RVJATLGYVMBHHM-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccccc1C[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592256415 1167478660 /nfs/dbraw/zinc/47/86/60/1167478660.db2.gz MTCCAQFEOVXFJN-LBPRGKRZSA-N -1 1 311.349 0.403 20 0 DCADMM Cc1ccn(Cc2nc(C(C)C)no2)c(=O)c1-c1nn[n-]n1 ZINC001592265469 1167479691 /nfs/dbraw/zinc/47/96/91/1167479691.db2.gz ATIUAUGXKKRAAP-UHFFFAOYSA-N -1 1 301.310 0.892 20 0 DCADMM Cc1ccn(CC(=O)C2CCOCC2)c(=O)c1-c1nn[n-]n1 ZINC001592265354 1167480184 /nfs/dbraw/zinc/48/01/84/1167480184.db2.gz SDTWDCWCVRXRRF-UHFFFAOYSA-N -1 1 303.322 0.333 20 0 DCADMM Cc1ccn(Cc2nnnn2C(C)(C)C)c(=O)c1-c1nn[n-]n1 ZINC001592265947 1167480225 /nfs/dbraw/zinc/48/02/25/1167480225.db2.gz QYHHTKBUDZMIQG-UHFFFAOYSA-N -1 1 315.341 0.127 20 0 DCADMM Cc1ccn(CN2CCSC[C@@H]2C)c(=O)c1-c1nn[n-]n1 ZINC001592268048 1167480465 /nfs/dbraw/zinc/48/04/65/1167480465.db2.gz XEBLTALNDKZHLD-JTQLQIEISA-N -1 1 306.395 0.732 20 0 DCADMM Cc1ccn(C)c(=O)c1NCc1nc(-c2nnn[n-]2)cs1 ZINC001592264980 1167480603 /nfs/dbraw/zinc/48/06/03/1167480603.db2.gz PTFDSDAEQUYKFW-UHFFFAOYSA-N -1 1 303.351 0.942 20 0 DCADMM Cc1ccn(C)c(=O)c1NCc1nc(-c2nn[n-]n2)cs1 ZINC001592264980 1167480605 /nfs/dbraw/zinc/48/06/05/1167480605.db2.gz PTFDSDAEQUYKFW-UHFFFAOYSA-N -1 1 303.351 0.942 20 0 DCADMM Cc1ccn([C@@H](C)CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC001592264884 1167480794 /nfs/dbraw/zinc/48/07/94/1167480794.db2.gz LAOFJZHVXPIQAJ-VIFPVBQESA-N -1 1 315.341 0.695 20 0 DCADMM Cc1ccn([C@@H](C)CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC001592264884 1167480800 /nfs/dbraw/zinc/48/08/00/1167480800.db2.gz LAOFJZHVXPIQAJ-VIFPVBQESA-N -1 1 315.341 0.695 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2CCn3ccnc3C2)c1-c1nn[n-]n1 ZINC001592327260 1167489475 /nfs/dbraw/zinc/48/94/75/1167489475.db2.gz AXUYFQUUFDUYAZ-MRVPVSSYSA-N -1 1 313.325 0.296 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCOC[C@@H]2[C@H]2CCCO2)n1 ZINC001592341698 1167496854 /nfs/dbraw/zinc/49/68/54/1167496854.db2.gz ZTKOCPBSVCEYQL-VXGBXAGGSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCOC[C@@H]2[C@H]2CCCO2)n1 ZINC001592341698 1167496858 /nfs/dbraw/zinc/49/68/58/1167496858.db2.gz ZTKOCPBSVCEYQL-VXGBXAGGSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc([C@H](C)OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)no1 ZINC001592353365 1167501353 /nfs/dbraw/zinc/50/13/53/1167501353.db2.gz CUQPRYAJMIJJQO-WDSKDSINSA-N -1 1 319.285 0.015 20 0 DCADMM Cc1nc(NC[C@H](CO)[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592384457 1167510889 /nfs/dbraw/zinc/51/08/89/1167510889.db2.gz LPKCVMIJDBBIIU-NXEZZACHSA-N -1 1 305.342 0.022 20 0 DCADMM Cc1nc(NC[C@H](CO)[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592384457 1167510894 /nfs/dbraw/zinc/51/08/94/1167510894.db2.gz LPKCVMIJDBBIIU-NXEZZACHSA-N -1 1 305.342 0.022 20 0 DCADMM Cc1nn(C)c(C)c1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592428235 1167519554 /nfs/dbraw/zinc/51/95/54/1167519554.db2.gz NBWCCKRLEMBVNS-UHFFFAOYSA-N -1 1 312.337 0.542 20 0 DCADMM Cc1nn(C)c(C)c1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592428235 1167519561 /nfs/dbraw/zinc/51/95/61/1167519561.db2.gz NBWCCKRLEMBVNS-UHFFFAOYSA-N -1 1 312.337 0.542 20 0 DCADMM Cc1nn(C)cc1CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592435584 1167520117 /nfs/dbraw/zinc/52/01/17/1167520117.db2.gz ONAXKOLASWSDPN-UHFFFAOYSA-N -1 1 312.337 0.163 20 0 DCADMM Cc1nn(C)cc1CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592435584 1167520121 /nfs/dbraw/zinc/52/01/21/1167520121.db2.gz ONAXKOLASWSDPN-UHFFFAOYSA-N -1 1 312.337 0.163 20 0 DCADMM Cc1nn(C)cc1CCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592435672 1167522087 /nfs/dbraw/zinc/52/20/87/1167522087.db2.gz VJIZNJVPOHNRMT-UHFFFAOYSA-N -1 1 302.294 0.901 20 0 DCADMM Cc1nn(C)cc1CCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592435672 1167522093 /nfs/dbraw/zinc/52/20/93/1167522093.db2.gz VJIZNJVPOHNRMT-UHFFFAOYSA-N -1 1 302.294 0.901 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H](C)[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC001592442791 1167525142 /nfs/dbraw/zinc/52/51/42/1167525142.db2.gz PHZGRBYAXDQLHV-VXNVDRBHSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H](C)[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC001592442791 1167525145 /nfs/dbraw/zinc/52/51/45/1167525145.db2.gz PHZGRBYAXDQLHV-VXNVDRBHSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)c1-c1nnn[n-]1 ZINC001592442201 1167526114 /nfs/dbraw/zinc/52/61/14/1167526114.db2.gz JAGCTXAEWJGZAI-FTLITQJKSA-N -1 1 305.342 0.661 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)c1-c1nn[n-]n1 ZINC001592442201 1167526119 /nfs/dbraw/zinc/52/61/19/1167526119.db2.gz JAGCTXAEWJGZAI-FTLITQJKSA-N -1 1 305.342 0.661 20 0 DCADMM Cc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)n1C ZINC001592447602 1167528459 /nfs/dbraw/zinc/52/84/59/1167528459.db2.gz VAOHFCFMSQTPHF-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1nnc2c(NCc3nc(-c4nnn[n-]4)cs3)nccn12 ZINC001592450458 1167530853 /nfs/dbraw/zinc/53/08/53/1167530853.db2.gz PYEDOWZDZZLWEQ-UHFFFAOYSA-N -1 1 314.338 0.681 20 0 DCADMM Cc1nnc2c(NCc3nc(-c4nn[n-]n4)cs3)nccn12 ZINC001592450458 1167530859 /nfs/dbraw/zinc/53/08/59/1167530859.db2.gz PYEDOWZDZZLWEQ-UHFFFAOYSA-N -1 1 314.338 0.681 20 0 DCADMM Cc1nsc(NC(=O)N[C@@]2(C)CCOC2)c1-c1nnn[n-]1 ZINC001592481392 1167534097 /nfs/dbraw/zinc/53/40/97/1167534097.db2.gz NGWWUTWMXGWPGF-NSHDSACASA-N -1 1 309.355 0.932 20 0 DCADMM Cc1nsc(NC(=O)N[C@@]2(C)CCOC2)c1-c1nn[n-]n1 ZINC001592481392 1167534102 /nfs/dbraw/zinc/53/41/02/1167534102.db2.gz NGWWUTWMXGWPGF-NSHDSACASA-N -1 1 309.355 0.932 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@@H](O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592480254 1167534157 /nfs/dbraw/zinc/53/41/57/1167534157.db2.gz VQKUAPVAFFCXOK-POYBYMJQSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@@H](O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592480254 1167534164 /nfs/dbraw/zinc/53/41/64/1167534164.db2.gz VQKUAPVAFFCXOK-POYBYMJQSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)[C@]2(C)CCNC(=O)C2)c1-c1nnn[n-]1 ZINC001592478339 1167534945 /nfs/dbraw/zinc/53/49/45/1167534945.db2.gz CAANRYDRIMOXJJ-GFCCVEGCSA-N -1 1 321.366 0.486 20 0 DCADMM Cc1nsc(NC(=O)[C@]2(C)CCNC(=O)C2)c1-c1nn[n-]n1 ZINC001592478339 1167534952 /nfs/dbraw/zinc/53/49/52/1167534952.db2.gz CAANRYDRIMOXJJ-GFCCVEGCSA-N -1 1 321.366 0.486 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2CO[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592481767 1167536445 /nfs/dbraw/zinc/53/64/45/1167536445.db2.gz VTUZIHOURSHHID-FSPLSTOPSA-N -1 1 309.355 0.931 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2CO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592481767 1167536452 /nfs/dbraw/zinc/53/64/52/1167536452.db2.gz VTUZIHOURSHHID-FSPLSTOPSA-N -1 1 309.355 0.931 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NCC1CC1 ZINC001592501851 1167541038 /nfs/dbraw/zinc/54/10/38/1167541038.db2.gz OANWYTNSJORAIR-UHFFFAOYSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NCC1CC1 ZINC001592501851 1167541040 /nfs/dbraw/zinc/54/10/40/1167541040.db2.gz OANWYTNSJORAIR-UHFFFAOYSA-N -1 1 305.294 0.451 20 0 DCADMM Cn1c(=O)[nH]c(N2CCC[C@@H]3CCC[C@H]32)c(-c2nn[n-]n2)c1=O ZINC001592542914 1167549378 /nfs/dbraw/zinc/54/93/78/1167549378.db2.gz CNVFWNBOFSQWKF-DTWKUNHWSA-N -1 1 317.353 0.023 20 0 DCADMM Clc1nc(N2CC(n3cncn3)C2)sc1-c1nnn[n-]1 ZINC001592540865 1167550935 /nfs/dbraw/zinc/55/09/35/1167550935.db2.gz PZDFZZKQIFWRFR-UHFFFAOYSA-N -1 1 309.746 0.629 20 0 DCADMM Clc1nc(N2CC(n3cncn3)C2)sc1-c1nn[n-]n1 ZINC001592540865 1167550942 /nfs/dbraw/zinc/55/09/42/1167550942.db2.gz PZDFZZKQIFWRFR-UHFFFAOYSA-N -1 1 309.746 0.629 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC[C@@H]2CCSC2)n1 ZINC001592559703 1167560423 /nfs/dbraw/zinc/56/04/23/1167560423.db2.gz HINBTRNYFRXZEE-MRVPVSSYSA-N -1 1 322.398 0.865 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC[C@@H]2CCSC2)n1 ZINC001592559703 1167560429 /nfs/dbraw/zinc/56/04/29/1167560429.db2.gz HINBTRNYFRXZEE-MRVPVSSYSA-N -1 1 322.398 0.865 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ncn(C(C)(C)C)n2)n1 ZINC001592560276 1167560709 /nfs/dbraw/zinc/56/07/09/1167560709.db2.gz XHSONXAENMOPGB-UHFFFAOYSA-N -1 1 316.329 0.199 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ncn(C(C)(C)C)n2)n1 ZINC001592560276 1167560716 /nfs/dbraw/zinc/56/07/16/1167560716.db2.gz XHSONXAENMOPGB-UHFFFAOYSA-N -1 1 316.329 0.199 20 0 DCADMM Cn1cc(N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001592575998 1167564953 /nfs/dbraw/zinc/56/49/53/1167564953.db2.gz MWFUKTFHNDGHSX-VIFPVBQESA-N -1 1 312.341 0.081 20 0 DCADMM Cn1cc(N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001592575998 1167564961 /nfs/dbraw/zinc/56/49/61/1167564961.db2.gz MWFUKTFHNDGHSX-VIFPVBQESA-N -1 1 312.341 0.081 20 0 DCADMM Cn1cc(C[C@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)cn1 ZINC001592571214 1167566584 /nfs/dbraw/zinc/56/65/84/1167566584.db2.gz SUVZKOBXABGKKV-SNVBAGLBSA-N -1 1 311.353 0.459 20 0 DCADMM Cn1cc(C[C@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)cn1 ZINC001592571214 1167566590 /nfs/dbraw/zinc/56/65/90/1167566590.db2.gz SUVZKOBXABGKKV-SNVBAGLBSA-N -1 1 311.353 0.459 20 0 DCADMM Cn1ccsc1=NC(=O)c1cc([O-])cc(-c2nn[nH]n2)c1 ZINC001592585382 1167569777 /nfs/dbraw/zinc/56/97/77/1167569777.db2.gz GPOKBJLXPFLJEY-UHFFFAOYSA-N -1 1 302.319 0.713 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001592591524 1167575470 /nfs/dbraw/zinc/57/54/70/1167575470.db2.gz UJQRVEFXEAOYTC-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001592591524 1167575478 /nfs/dbraw/zinc/57/54/78/1167575478.db2.gz UJQRVEFXEAOYTC-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1ncnc1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001592608200 1167582736 /nfs/dbraw/zinc/58/27/36/1167582736.db2.gz OPMUWNKEHNZSHC-UHFFFAOYSA-N -1 1 312.337 0.084 20 0 DCADMM NC(=O)[C@H]1CCCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001592722578 1167613873 /nfs/dbraw/zinc/61/38/73/1167613873.db2.gz ZYGZKLXCNCPZNS-DTWKUNHWSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@H]1CCCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001592722578 1167613875 /nfs/dbraw/zinc/61/38/75/1167613875.db2.gz ZYGZKLXCNCPZNS-DTWKUNHWSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)C[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001592725956 1167617006 /nfs/dbraw/zinc/61/70/06/1167617006.db2.gz MHHAZEUZKSZEIY-RXMQYKEDSA-N -1 1 313.774 0.678 20 0 DCADMM NC(=O)C[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001592725956 1167617008 /nfs/dbraw/zinc/61/70/08/1167617008.db2.gz MHHAZEUZKSZEIY-RXMQYKEDSA-N -1 1 313.774 0.678 20 0 DCADMM NC(=O)CCc1ccc(Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001592728653 1167618545 /nfs/dbraw/zinc/61/85/45/1167618545.db2.gz SENVMRBUHUOCER-UHFFFAOYSA-N -1 1 309.333 0.845 20 0 DCADMM NC(=O)CCc1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592728653 1167618548 /nfs/dbraw/zinc/61/85/48/1167618548.db2.gz SENVMRBUHUOCER-UHFFFAOYSA-N -1 1 309.333 0.845 20 0 DCADMM NC(=O)c1cc2cc(Nc3ccnc(-c4nn[n-]n4)n3)ccc2[nH]1 ZINC001592735505 1167621028 /nfs/dbraw/zinc/62/10/28/1167621028.db2.gz SZBLZXNEJFXHKX-UHFFFAOYSA-N -1 1 321.304 0.402 20 0 DCADMM NC(=O)c1[nH]nc2ccc(Nc3ncncc3-c3nn[n-]n3)cc21 ZINC001592738525 1167622833 /nfs/dbraw/zinc/62/28/33/1167622833.db2.gz SSBOYKMGSHJBOL-UHFFFAOYSA-N -1 1 322.292 0.376 20 0 DCADMM Nc1c(-c2nn[nH]n2)cnn1C(=O)c1c(F)ccc([O-])c1F ZINC001592753084 1167630827 /nfs/dbraw/zinc/63/08/27/1167630827.db2.gz JMEWQAKDNLUDHP-UHFFFAOYSA-N -1 1 307.220 0.318 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cnc(CC2CC2)s1 ZINC001592752941 1167631086 /nfs/dbraw/zinc/63/10/86/1167631086.db2.gz IFXXEGKVHDOWEI-UHFFFAOYSA-N -1 1 316.350 0.743 20 0 DCADMM O=C(C1CC1)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001592774135 1167639855 /nfs/dbraw/zinc/63/98/55/1167639855.db2.gz XIJMOEDVPNFRNX-SECBINFHSA-N -1 1 314.353 0.327 20 0 DCADMM O=C(C1CC1)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001592774135 1167639861 /nfs/dbraw/zinc/63/98/61/1167639861.db2.gz XIJMOEDVPNFRNX-SECBINFHSA-N -1 1 314.353 0.327 20 0 DCADMM O=C(C1CC1)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001592776173 1167642516 /nfs/dbraw/zinc/64/25/16/1167642516.db2.gz PWFUUHSCWXBCNJ-NSHDSACASA-N -1 1 317.305 0.280 20 0 DCADMM O=C(C1CC1)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001592776173 1167642521 /nfs/dbraw/zinc/64/25/21/1167642521.db2.gz PWFUUHSCWXBCNJ-NSHDSACASA-N -1 1 317.305 0.280 20 0 DCADMM O=C(C=Cc1ccncn1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592802022 1167644727 /nfs/dbraw/zinc/64/47/27/1167644727.db2.gz OADHKXBPGZXKQX-OWOJBTEDSA-N -1 1 314.334 0.443 20 0 DCADMM O=C(C=Cc1ccncn1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592802022 1167644731 /nfs/dbraw/zinc/64/47/31/1167644731.db2.gz OADHKXBPGZXKQX-OWOJBTEDSA-N -1 1 314.334 0.443 20 0 DCADMM O=C(CC(F)(F)F)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592804770 1167645648 /nfs/dbraw/zinc/64/56/48/1167645648.db2.gz KFGSHDIBLXEBDN-UHFFFAOYSA-N -1 1 316.247 0.137 20 0 DCADMM O=C(CC(F)(F)F)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592804770 1167645653 /nfs/dbraw/zinc/64/56/53/1167645653.db2.gz KFGSHDIBLXEBDN-UHFFFAOYSA-N -1 1 316.247 0.137 20 0 DCADMM O=C(COc1ccc(F)nc1-c1nn[n-]n1)NCC1CCC1 ZINC001592893200 1167659155 /nfs/dbraw/zinc/65/91/55/1167659155.db2.gz ARMPBPLOFHQYDU-UHFFFAOYSA-N -1 1 306.301 0.696 20 0 DCADMM O=C(Cn1ccc(C(F)F)n1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592937747 1167667804 /nfs/dbraw/zinc/66/78/04/1167667804.db2.gz JUTAAQXAVOQBSE-UHFFFAOYSA-N -1 1 309.240 0.363 20 0 DCADMM O=C(Cn1ccc(C(F)F)n1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592937747 1167667807 /nfs/dbraw/zinc/66/78/07/1167667807.db2.gz JUTAAQXAVOQBSE-UHFFFAOYSA-N -1 1 309.240 0.363 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(C2CCC2)CCC1 ZINC001592940990 1167668908 /nfs/dbraw/zinc/66/89/08/1167668908.db2.gz NHIFHWLCTRHKQC-UHFFFAOYSA-N -1 1 316.369 0.545 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](c1ccccc1)C1CC1 ZINC001592940292 1167670362 /nfs/dbraw/zinc/67/03/62/1167670362.db2.gz XRCCVFNSGDWNJB-ZDUSSCGKSA-N -1 1 324.348 0.726 20 0 DCADMM O=C(N[C@@]12CC[N@@H+](C1)CCC2)c1ccc(-c2nn[nH]n2)s1 ZINC001592963074 1167677072 /nfs/dbraw/zinc/67/70/72/1167677072.db2.gz RZYLIYXUPJTQQL-ZDUSSCGKSA-N -1 1 304.379 0.896 20 0 DCADMM O=C(N[C@H]1CCC[C@@H]1CCO)c1ccnc(-c2nnn[n-]2)c1 ZINC001592976174 1167678444 /nfs/dbraw/zinc/67/84/44/1167678444.db2.gz BFVIKLXOXBQPDS-KOLCDFICSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CCC[C@@H]1CCO)c1ccnc(-c2nn[n-]n2)c1 ZINC001592976174 1167678448 /nfs/dbraw/zinc/67/84/48/1167678448.db2.gz BFVIKLXOXBQPDS-KOLCDFICSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1COC[C@H]1C1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593002026 1167683181 /nfs/dbraw/zinc/68/31/81/1167683181.db2.gz VWHXBHRXIWMOSO-CMPLNLGQSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(N[C@@H]1COC[C@H]1C1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593002026 1167683188 /nfs/dbraw/zinc/68/31/88/1167683188.db2.gz VWHXBHRXIWMOSO-CMPLNLGQSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593002032 1167683504 /nfs/dbraw/zinc/68/35/04/1167683504.db2.gz VWHXBHRXIWMOSO-ZYHUDNBSSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593002032 1167683509 /nfs/dbraw/zinc/68/35/09/1167683509.db2.gz VWHXBHRXIWMOSO-ZYHUDNBSSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(NC[C@H](O)c1ccsc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593013973 1167688325 /nfs/dbraw/zinc/68/83/25/1167688325.db2.gz QVKMOPZZIOZFGQ-QMMMGPOBSA-N -1 1 305.319 0.985 20 0 DCADMM O=C(NC[C@H](O)c1ccsc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593013973 1167688328 /nfs/dbraw/zinc/68/83/28/1167688328.db2.gz QVKMOPZZIOZFGQ-QMMMGPOBSA-N -1 1 305.319 0.985 20 0 DCADMM O=C(NC/C=C/C1CC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593053557 1167695093 /nfs/dbraw/zinc/69/50/93/1167695093.db2.gz QVZYORBRWPYJBX-NSCUHMNNSA-N -1 1 313.321 0.283 20 0 DCADMM O=C(NC/C=C/C1CC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593053557 1167695096 /nfs/dbraw/zinc/69/50/96/1167695096.db2.gz QVZYORBRWPYJBX-NSCUHMNNSA-N -1 1 313.321 0.283 20 0 DCADMM O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1coc(-c2nnn[n-]2)c1 ZINC001593084708 1167699964 /nfs/dbraw/zinc/69/99/64/1167699964.db2.gz QZDWLUOZFWFQJP-PHIMTYICSA-N -1 1 318.337 0.053 20 0 DCADMM O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1coc(-c2nn[n-]n2)c1 ZINC001593084708 1167699965 /nfs/dbraw/zinc/69/99/65/1167699965.db2.gz QZDWLUOZFWFQJP-PHIMTYICSA-N -1 1 318.337 0.053 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCC1(F)F ZINC001593089792 1167702032 /nfs/dbraw/zinc/70/20/32/1167702032.db2.gz NESYOJGXPQWRQR-SSDOTTSWSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCC1(F)F ZINC001593089792 1167702038 /nfs/dbraw/zinc/70/20/38/1167702038.db2.gz NESYOJGXPQWRQR-SSDOTTSWSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCOC[C@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001593096919 1167704746 /nfs/dbraw/zinc/70/47/46/1167704746.db2.gz CRIWGZDUZJNVFX-VIFPVBQESA-N -1 1 323.378 0.711 20 0 DCADMM O=C(NCCOCC1CC1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001593096627 1167705866 /nfs/dbraw/zinc/70/58/66/1167705866.db2.gz OUHFOVYYYSMRAT-UHFFFAOYSA-N -1 1 323.382 0.549 20 0 DCADMM O=C(NCCOCC1CC1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001593096627 1167705870 /nfs/dbraw/zinc/70/58/70/1167705870.db2.gz OUHFOVYYYSMRAT-UHFFFAOYSA-N -1 1 323.382 0.549 20 0 DCADMM O=C(NCCO[C@@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593093793 1167706513 /nfs/dbraw/zinc/70/65/13/1167706513.db2.gz CRKQEFABRAUGKS-SECBINFHSA-N -1 1 310.264 0.416 20 0 DCADMM O=C(NCCO[C@@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593093793 1167706519 /nfs/dbraw/zinc/70/65/19/1167706519.db2.gz CRKQEFABRAUGKS-SECBINFHSA-N -1 1 310.264 0.416 20 0 DCADMM O=C(NCCc1csc(=O)[nH]1)c1ccc(-c2nn[n-]n2)o1 ZINC001593106489 1167709527 /nfs/dbraw/zinc/70/95/27/1167709527.db2.gz CNASFEIYHZUYCN-UHFFFAOYSA-N -1 1 306.307 0.594 20 0 DCADMM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc(-c2nnn[n-]2)n1 ZINC001593111639 1167713161 /nfs/dbraw/zinc/71/31/61/1167713161.db2.gz QKDUTDKKCWXQBI-AXFHLTTASA-N -1 1 312.333 0.583 20 0 DCADMM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc(-c2nn[n-]n2)n1 ZINC001593111639 1167713168 /nfs/dbraw/zinc/71/31/68/1167713168.db2.gz QKDUTDKKCWXQBI-AXFHLTTASA-N -1 1 312.333 0.583 20 0 DCADMM O=C(NCc1cc(=O)c(O)co1)c1ccc(-c2nn[n-]n2)o1 ZINC001593121711 1167715526 /nfs/dbraw/zinc/71/55/26/1167715526.db2.gz BITQWUVDKHTPRP-UHFFFAOYSA-N -1 1 303.234 0.049 20 0 DCADMM O=C(NC[C@H](O)C(F)(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001593114371 1167715784 /nfs/dbraw/zinc/71/57/84/1167715784.db2.gz OVOMKKNCSZIHMW-LURJTMIESA-N -1 1 307.257 0.581 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ncc2ccccn21 ZINC001593147666 1167723074 /nfs/dbraw/zinc/72/30/74/1167723074.db2.gz BBQPUMYNFKWYHF-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ncc2ccccn21 ZINC001593147666 1167723079 /nfs/dbraw/zinc/72/30/79/1167723079.db2.gz BBQPUMYNFKWYHF-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(NCc1nc2cccnc2[nH]1)c1ccc(-c2nn[n-]n2)o1 ZINC001593152379 1167725921 /nfs/dbraw/zinc/72/59/21/1167725921.db2.gz CTTUCURMSIMANL-UHFFFAOYSA-N -1 1 310.277 0.661 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC1CCOCC1 ZINC001593151443 1167726202 /nfs/dbraw/zinc/72/62/02/1167726202.db2.gz YCVIVJQGBRMTRF-UHFFFAOYSA-N -1 1 309.355 0.301 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC1CCOCC1 ZINC001593151443 1167726204 /nfs/dbraw/zinc/72/62/04/1167726204.db2.gz YCVIVJQGBRMTRF-UHFFFAOYSA-N -1 1 309.355 0.301 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NCC1(CO)CCC1 ZINC001593150571 1167726489 /nfs/dbraw/zinc/72/64/89/1167726489.db2.gz LYPGJNUARYMTCY-UHFFFAOYSA-N -1 1 323.382 0.285 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NCC1(CO)CCC1 ZINC001593150571 1167726494 /nfs/dbraw/zinc/72/64/94/1167726494.db2.gz LYPGJNUARYMTCY-UHFFFAOYSA-N -1 1 323.382 0.285 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cc(Cl)no1 ZINC001593151862 1167727642 /nfs/dbraw/zinc/72/76/42/1167727642.db2.gz IMPJWWPCMODTEF-UHFFFAOYSA-N -1 1 311.714 0.895 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cc(Cl)no1 ZINC001593151862 1167727646 /nfs/dbraw/zinc/72/76/46/1167727646.db2.gz IMPJWWPCMODTEF-UHFFFAOYSA-N -1 1 311.714 0.895 20 0 DCADMM O=C(NCc1nc2cccnc2[nH]1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593152675 1167729957 /nfs/dbraw/zinc/72/99/57/1167729957.db2.gz LPYLTVWCQXSWLV-UHFFFAOYSA-N -1 1 321.304 0.463 20 0 DCADMM O=C(NCc1nc2cccnc2[nH]1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593152675 1167729965 /nfs/dbraw/zinc/72/99/65/1167729965.db2.gz LPYLTVWCQXSWLV-UHFFFAOYSA-N -1 1 321.304 0.463 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593155103 1167730467 /nfs/dbraw/zinc/73/04/67/1167730467.db2.gz ZUGNXOHUOAMJHJ-UHFFFAOYSA-N -1 1 300.282 0.316 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593155103 1167730472 /nfs/dbraw/zinc/73/04/72/1167730472.db2.gz ZUGNXOHUOAMJHJ-UHFFFAOYSA-N -1 1 300.282 0.316 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1coc(-c2cccnc2)n1 ZINC001593199903 1167734740 /nfs/dbraw/zinc/73/47/40/1167734740.db2.gz SZAIJMQLAQXWKR-UHFFFAOYSA-N -1 1 323.276 0.892 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1coc(-c2cccnc2)n1 ZINC001593199903 1167734747 /nfs/dbraw/zinc/73/47/47/1167734747.db2.gz SZAIJMQLAQXWKR-UHFFFAOYSA-N -1 1 323.276 0.892 20 0 DCADMM O=C(Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]1F ZINC001593252457 1167744411 /nfs/dbraw/zinc/74/44/11/1167744411.db2.gz HLRPNDRSQJERQH-HTQZYQBOSA-N -1 1 314.284 0.744 20 0 DCADMM O=C(Nc1cccnc1-n1cncn1)c1ccc(-c2nnn[n-]2)o1 ZINC001593254684 1167745810 /nfs/dbraw/zinc/74/58/10/1167745810.db2.gz QVNBKYDFDUNMPH-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1cccnc1-n1cncn1)c1ccc(-c2nn[n-]n2)o1 ZINC001593254684 1167745815 /nfs/dbraw/zinc/74/58/15/1167745815.db2.gz QVNBKYDFDUNMPH-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CCc2ccccc2O1 ZINC001593259451 1167746831 /nfs/dbraw/zinc/74/68/31/1167746831.db2.gz ADCBAVIHJYNMSZ-LLVKDONJSA-N -1 1 311.305 0.922 20 0 DCADMM O=C(Nc1nc2ccc(F)cn2n1)c1coc(-c2nnn[n-]2)c1 ZINC001593266612 1167750593 /nfs/dbraw/zinc/75/05/93/1167750593.db2.gz RJDGCUFECIJQIP-UHFFFAOYSA-N -1 1 314.240 0.894 20 0 DCADMM O=C(Nc1nc2ccc(F)cn2n1)c1coc(-c2nn[n-]n2)c1 ZINC001593266612 1167750600 /nfs/dbraw/zinc/75/06/00/1167750600.db2.gz RJDGCUFECIJQIP-UHFFFAOYSA-N -1 1 314.240 0.894 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC2(C1)CCCOC2 ZINC001593337087 1167777582 /nfs/dbraw/zinc/77/75/82/1167777582.db2.gz NQDOFKRVLZWRGY-UHFFFAOYSA-N -1 1 300.322 0.514 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC2(C1)CCCOC2 ZINC001593337087 1167777588 /nfs/dbraw/zinc/77/75/88/1167777588.db2.gz NQDOFKRVLZWRGY-UHFFFAOYSA-N -1 1 300.322 0.514 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1C[C@@H]2CSC[C@@H]2C1 ZINC001593348545 1167784283 /nfs/dbraw/zinc/78/42/83/1167784283.db2.gz DPIPBIZUNWGQDH-DTORHVGOSA-N -1 1 302.363 0.697 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1C[C@@H]2CSC[C@@H]2C1 ZINC001593348545 1167784288 /nfs/dbraw/zinc/78/42/88/1167784288.db2.gz DPIPBIZUNWGQDH-DTORHVGOSA-N -1 1 302.363 0.697 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCOC[C@H]1C1CC1 ZINC001593349121 1167785787 /nfs/dbraw/zinc/78/57/87/1167785787.db2.gz ZBHYNPXCTPOYKS-LBPRGKRZSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCOC[C@H]1C1CC1 ZINC001593349121 1167785793 /nfs/dbraw/zinc/78/57/93/1167785793.db2.gz ZBHYNPXCTPOYKS-LBPRGKRZSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H](OCCO)C1 ZINC001593368090 1167787756 /nfs/dbraw/zinc/78/77/56/1167787756.db2.gz RJSLQCPPMPNWFV-JTQLQIEISA-N -1 1 307.310 0.073 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H](OCCO)C1 ZINC001593368090 1167787760 /nfs/dbraw/zinc/78/77/60/1167787760.db2.gz RJSLQCPPMPNWFV-JTQLQIEISA-N -1 1 307.310 0.073 20 0 DCADMM O=C1CCCN1C[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001593392458 1167805579 /nfs/dbraw/zinc/80/55/79/1167805579.db2.gz YDRVOZAPIWIKPV-LLVKDONJSA-N -1 1 313.365 0.710 20 0 DCADMM O=C1CCCN1C[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001593392458 1167805593 /nfs/dbraw/zinc/80/55/93/1167805593.db2.gz YDRVOZAPIWIKPV-LLVKDONJSA-N -1 1 313.365 0.710 20 0 DCADMM O=C1O[C@H](Cn2ccc(-c3nn[n-]n3)cc2=O)CC12CCC2 ZINC001593412517 1167822668 /nfs/dbraw/zinc/82/26/68/1167822668.db2.gz AQMWYCQBYOWPKQ-JTQLQIEISA-N -1 1 301.306 0.514 20 0 DCADMM O=S(=O)(N[C@H]1CCSC1)c1cccnc1-c1nn[n-]n1 ZINC001593431355 1167836426 /nfs/dbraw/zinc/83/64/26/1167836426.db2.gz MKMKSFAEFFHYBM-ZETCQYMHSA-N -1 1 312.380 0.046 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1CCC(F)(F)C1 ZINC001593455061 1167847112 /nfs/dbraw/zinc/84/71/12/1167847112.db2.gz RQHWQPPMEZEYLQ-UHFFFAOYSA-N -1 1 321.334 0.958 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1CCC(F)(F)C1 ZINC001593455061 1167847122 /nfs/dbraw/zinc/84/71/22/1167847122.db2.gz RQHWQPPMEZEYLQ-UHFFFAOYSA-N -1 1 321.334 0.958 20 0 DCADMM O=S1(=O)CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001593464008 1167855727 /nfs/dbraw/zinc/85/57/27/1167855727.db2.gz NWVKBFCEIJHQPH-BYPYZUCNSA-N -1 1 320.787 0.576 20 0 DCADMM O=S1(=O)CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001593464008 1167855735 /nfs/dbraw/zinc/85/57/35/1167855735.db2.gz NWVKBFCEIJHQPH-BYPYZUCNSA-N -1 1 320.787 0.576 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCC1OCCO1)CCC2 ZINC001593492755 1167875118 /nfs/dbraw/zinc/87/51/18/1167875118.db2.gz XANBLFQMGZHYEC-UHFFFAOYSA-N -1 1 303.322 0.280 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1C[C@@H](O)CCc1ccccc1 ZINC001593494082 1167876089 /nfs/dbraw/zinc/87/60/89/1167876089.db2.gz OAJWQRBILLRTNV-LBPRGKRZSA-N -1 1 312.333 0.417 20 0 DCADMM O[C@H](CNc1cc(-c2nnn[n-]2)ncn1)Cc1cccc(F)c1 ZINC001593505527 1167885119 /nfs/dbraw/zinc/88/51/19/1167885119.db2.gz AQQCDJCHZRSBFV-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1cc(-c2nn[n-]n2)ncn1)Cc1cccc(F)c1 ZINC001593505527 1167885121 /nfs/dbraw/zinc/88/51/21/1167885121.db2.gz AQQCDJCHZRSBFV-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM OC1(C2CC2)CN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001593511036 1167888477 /nfs/dbraw/zinc/88/84/77/1167888477.db2.gz QRFLUWHOUULLIG-UHFFFAOYSA-N -1 1 309.333 0.771 20 0 DCADMM OC1(C2CC2)CN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001593511036 1167888483 /nfs/dbraw/zinc/88/84/83/1167888483.db2.gz QRFLUWHOUULLIG-UHFFFAOYSA-N -1 1 309.333 0.771 20 0 DCADMM O[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCc2ccccc21 ZINC001593514128 1167891904 /nfs/dbraw/zinc/89/19/04/1167891904.db2.gz CRWLKOQHKSBASR-HNNXBMFYSA-N -1 1 309.333 0.903 20 0 DCADMM O[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCc2ccccc21 ZINC001593514128 1167891915 /nfs/dbraw/zinc/89/19/15/1167891915.db2.gz CRWLKOQHKSBASR-HNNXBMFYSA-N -1 1 309.333 0.903 20 0 DCADMM O[C@@H]1CCC[C@H]1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001593519827 1167894502 /nfs/dbraw/zinc/89/45/02/1167894502.db2.gz RBOREGJUEQNZRM-ZMLRMANQSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCC[C@H]1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001593519827 1167894507 /nfs/dbraw/zinc/89/45/07/1167894507.db2.gz RBOREGJUEQNZRM-ZMLRMANQSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC2(CCOCC2)C1 ZINC001593521036 1167895864 /nfs/dbraw/zinc/89/58/64/1167895864.db2.gz ZNFMGVMKHXSOCQ-JTQLQIEISA-N -1 1 317.353 0.025 20 0 DCADMM O[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC2(CCOCC2)C1 ZINC001593521036 1167895868 /nfs/dbraw/zinc/89/58/68/1167895868.db2.gz ZNFMGVMKHXSOCQ-JTQLQIEISA-N -1 1 317.353 0.025 20 0 DCADMM OC[C@@H](Cc1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001593520475 1167896181 /nfs/dbraw/zinc/89/61/81/1167896181.db2.gz KRESIEKPTHYLBO-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@@H](Cc1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001593520475 1167896189 /nfs/dbraw/zinc/89/61/89/1167896189.db2.gz KRESIEKPTHYLBO-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1ncc[nH]1 ZINC001593524588 1167901983 /nfs/dbraw/zinc/90/19/83/1167901983.db2.gz AIVXDEBGDWWKOD-BYPYZUCNSA-N -1 1 312.746 0.845 20 0 DCADMM OC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ncc[nH]1 ZINC001593524588 1167901988 /nfs/dbraw/zinc/90/19/88/1167901988.db2.gz AIVXDEBGDWWKOD-BYPYZUCNSA-N -1 1 312.746 0.845 20 0 DCADMM OCCCOCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593531540 1167906300 /nfs/dbraw/zinc/90/63/00/1167906300.db2.gz PJAPXNZWQJTDHR-UHFFFAOYSA-N -1 1 304.763 0.788 20 0 DCADMM OCCCOCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593531540 1167906294 /nfs/dbraw/zinc/90/62/94/1167906294.db2.gz PJAPXNZWQJTDHR-UHFFFAOYSA-N -1 1 304.763 0.788 20 0 DCADMM OCCN1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001593533758 1167919221 /nfs/dbraw/zinc/91/92/21/1167919221.db2.gz YCAVXBVPEZCSKH-UHFFFAOYSA-N -1 1 315.790 0.091 20 0 DCADMM OCCN1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001593533758 1167919227 /nfs/dbraw/zinc/91/92/27/1167919227.db2.gz YCAVXBVPEZCSKH-UHFFFAOYSA-N -1 1 315.790 0.091 20 0 DCADMM Oc1cccc(N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001593540481 1167920248 /nfs/dbraw/zinc/92/02/48/1167920248.db2.gz XDVZXKKMVOZARY-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM c1cc(-c2noc(Cc3ccc(-c4nnn[n-]4)nc3)n2)ncn1 ZINC001593552483 1167931042 /nfs/dbraw/zinc/93/10/42/1167931042.db2.gz ZDRMWSWTNHJPEE-UHFFFAOYSA-N -1 1 307.277 0.693 20 0 DCADMM c1cc(-c2noc(Cc3ccc(-c4nn[n-]n4)nc3)n2)ncn1 ZINC001593552483 1167931054 /nfs/dbraw/zinc/93/10/54/1167931054.db2.gz ZDRMWSWTNHJPEE-UHFFFAOYSA-N -1 1 307.277 0.693 20 0 DCADMM c1nc(-c2nn[n-]n2)nn1-c1ccnc(Cc2ccccc2)n1 ZINC001593574506 1167944543 /nfs/dbraw/zinc/94/45/43/1167944543.db2.gz AAOMPFVWAHBQRM-UHFFFAOYSA-N -1 1 305.305 0.828 20 0 DCADMM c1ccc(CO[C@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001593573610 1167947542 /nfs/dbraw/zinc/94/75/42/1167947542.db2.gz CKASUOOAIFLFLA-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM c1ccc(CO[C@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001593573610 1167947546 /nfs/dbraw/zinc/94/75/46/1167947546.db2.gz CKASUOOAIFLFLA-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM c1cnc(N2CCC[C@@H](Nc3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001593583532 1167948968 /nfs/dbraw/zinc/94/89/68/1167948968.db2.gz IEPRRHPPYXRCAY-SNVBAGLBSA-N -1 1 324.352 0.528 20 0 DCADMM c1cnc(N2CCC[C@@H](Nc3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001593583532 1167948970 /nfs/dbraw/zinc/94/89/70/1167948970.db2.gz IEPRRHPPYXRCAY-SNVBAGLBSA-N -1 1 324.352 0.528 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N2CCO[C@@]3(CCSC3)C2)c1 ZINC001593583070 1167950428 /nfs/dbraw/zinc/95/04/28/1167950428.db2.gz MLNIUHBTTAOIBC-ZDUSSCGKSA-N -1 1 304.379 0.974 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N2CCO[C@@]3(CCSC3)C2)c1 ZINC001593583070 1167950431 /nfs/dbraw/zinc/95/04/31/1167950431.db2.gz MLNIUHBTTAOIBC-ZDUSSCGKSA-N -1 1 304.379 0.974 20 0 DCADMM COC[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1nn[n-]n1 ZINC001595889743 1167981432 /nfs/dbraw/zinc/98/14/32/1167981432.db2.gz XMIMETFHKJKGHL-GFCCVEGCSA-N -1 1 313.321 0.503 20 0 DCADMM COC(=O)[C@@]1(O)CCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC001598724527 1168032753 /nfs/dbraw/zinc/03/27/53/1168032753.db2.gz OHYUMUFCTAYVMZ-MEDUHNTESA-N -1 1 323.345 0.648 20 0 DCADMM Cc1cc(C(=O)N[C@@H]2CCCN(CCCO)C2)oc1C(=O)[O-] ZINC001600091259 1168116331 /nfs/dbraw/zinc/11/63/31/1168116331.db2.gz ZDKSXCSXCLVGAA-LLVKDONJSA-N -1 1 310.350 0.863 20 0 DCADMM Cc1cc(CNC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n[nH]1 ZINC001600200418 1168137550 /nfs/dbraw/zinc/13/75/50/1168137550.db2.gz XWRGAVWUDKHEFM-JTQLQIEISA-N -1 1 319.325 0.164 20 0 DCADMM Cc1cc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)n(C)n1 ZINC001600200449 1168137679 /nfs/dbraw/zinc/13/76/79/1168137679.db2.gz ZVQNDTMGNHWYCO-LBPRGKRZSA-N -1 1 323.397 0.419 20 0 DCADMM Cc1cc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001600212185 1168138829 /nfs/dbraw/zinc/13/88/29/1168138829.db2.gz HOUHTFQIIPCKIT-JULQROHOSA-N -1 1 307.350 0.688 20 0 DCADMM Cc1cc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)nc(F)n1 ZINC001600240925 1168144235 /nfs/dbraw/zinc/14/42/35/1168144235.db2.gz CWHSRUWWUXSTJV-AWEZNQCLSA-N 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1168244827 /nfs/dbraw/zinc/24/48/27/1168244827.db2.gz RPBZWDZODZUZEY-SSDOTTSWSA-N -1 1 316.383 0.177 20 0 DCADMM Cc1nc([C@H]2CCCN(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])C2)n[nH]1 ZINC001600695792 1168254691 /nfs/dbraw/zinc/25/46/91/1168254691.db2.gz ULOJSPLZZIQOON-HBNTYKKESA-N -1 1 307.354 0.723 20 0 DCADMM Cc1ncc(CN2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C(=O)[O-])C[C@@H]3C2)o1 ZINC001600736368 1168267369 /nfs/dbraw/zinc/26/73/69/1168267369.db2.gz XHDLZPXHNXZQND-ZMJPVWNMSA-N -1 1 319.361 0.594 20 0 DCADMM Cn1c(-c2csc(=O)[nH]2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001600893692 1168496152 /nfs/dbraw/zinc/49/61/52/1168496152.db2.gz OUESHINUAMGRHK-GFCCVEGCSA-N -1 1 309.351 0.945 20 0 DCADMM Cn1cncc1[C@@H]1CC(=O)N(CN2CCC[C@H](C(=O)[O-])C2)C1 ZINC001600993895 1168551570 /nfs/dbraw/zinc/55/15/70/1168551570.db2.gz ZSWFETUHFVRWFF-NWDGAFQWSA-N -1 1 306.366 0.490 20 0 DCADMM [NH3+]C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C1CC1 ZINC001601183313 1168628484 /nfs/dbraw/zinc/62/84/84/1168628484.db2.gz SMTAJVKDLCEOTQ-SECBINFHSA-N -1 1 320.317 0.679 20 0 DCADMM NCc1nc2c(s1)CCN(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)C2 ZINC001601192144 1168646761 /nfs/dbraw/zinc/64/67/61/1168646761.db2.gz NZWDZCTVIKUHEP-SECBINFHSA-N -1 1 322.390 0.843 20 0 DCADMM Nc1cn[nH]c1[C@H]1CCN(C(=O)c2csc(C(=O)[O-])n2)C1 ZINC001601219215 1168663620 /nfs/dbraw/zinc/66/36/20/1168663620.db2.gz ZJBNRQKBUPHOJC-LURJTMIESA-N -1 1 307.335 0.776 20 0 DCADMM Nc1nccc(N2CCC[C@@H](OC(=O)C3(C(=O)[O-])CC3)C2)n1 ZINC001601221708 1168665427 /nfs/dbraw/zinc/66/54/27/1168665427.db2.gz NDEDADKASOCYSH-SECBINFHSA-N -1 1 306.322 0.436 20 0 DCADMM O=C([O-])[C@]1(N2CCN(C(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)CC2)CCOC1 ZINC001601251783 1168677890 /nfs/dbraw/zinc/67/78/90/1168677890.db2.gz SKCDQJNTCVHARL-FHIRATQRSA-N -1 1 322.405 0.811 20 0 DCADMM O=C(CCCc1nn[nH]n1)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001601272319 1168684850 /nfs/dbraw/zinc/68/48/50/1168684850.db2.gz UEUHQONRTXPNJM-LLVKDONJSA-N -1 1 303.322 0.507 20 0 DCADMM O=C([O-])[C@@]1(O)CCN(CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC001601305044 1168697052 /nfs/dbraw/zinc/69/70/52/1168697052.db2.gz YEHWMUHLRZRLSR-WMLDXEAASA-N -1 1 318.373 0.702 20 0 DCADMM O=C([O-])c1ccc(NC(=O)CN2C[C@H](CO)[C@H](CCO)C2)cc1 ZINC001601304399 1168698671 /nfs/dbraw/zinc/69/86/71/1168698671.db2.gz AXGILJFXDFNTDL-CHWSQXEVSA-N -1 1 322.361 0.246 20 0 DCADMM O=C([O-])[C@@H](NC(=O)C1CN([C@@H]2CCOC2)C1)c1ccc(O)cc1 ZINC001601395810 1168732984 /nfs/dbraw/zinc/73/29/84/1168732984.db2.gz QECBVJZZMLGFND-OCCSQVGLSA-N -1 1 320.345 0.355 20 0 DCADMM O=C([O-])c1nc(C(=O)N[C@H]2CCCN(CCCO)C2)cs1 ZINC001601439140 1168748840 /nfs/dbraw/zinc/74/88/40/1168748840.db2.gz YZZHIDITEFMNQI-VIFPVBQESA-N -1 1 313.379 0.418 20 0 DCADMM O=C([O-])c1cnc(CNC(=O)NCCCc2nc[nH]n2)s1 ZINC001601501232 1168766926 /nfs/dbraw/zinc/76/69/26/1168766926.db2.gz GUCWMPHZBXADIS-UHFFFAOYSA-N -1 1 310.339 0.391 20 0 DCADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCc2ncncc2C1 ZINC001601567925 1168784721 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COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H]1C ZINC001604926135 1169746770 /nfs/dbraw/zinc/74/67/70/1169746770.db2.gz SOMCVHCPMYYGRF-HTQZYQBOSA-N -1 1 321.362 0.952 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]1C ZINC001604926135 1169746775 /nfs/dbraw/zinc/74/67/75/1169746775.db2.gz SOMCVHCPMYYGRF-HTQZYQBOSA-N -1 1 321.362 0.952 20 0 DCADMM COC(=O)C[C@H]1COCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001604934165 1169754272 /nfs/dbraw/zinc/75/42/72/1169754272.db2.gz PTEHGHPBNMABDG-QMMMGPOBSA-N -1 1 324.366 0.087 20 0 DCADMM COC(=O)C[C@H]1COCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001604934165 1169754274 /nfs/dbraw/zinc/75/42/74/1169754274.db2.gz PTEHGHPBNMABDG-QMMMGPOBSA-N -1 1 324.366 0.087 20 0 DCADMM CC[C@H](C)N1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001604965289 1169764257 /nfs/dbraw/zinc/76/42/57/1169764257.db2.gz KTTGXTGVFSEGDY-YNEHKIRRSA-N -1 1 313.398 0.602 20 0 DCADMM COC(=O)c1ccc(NCc2cnoc2C)c(-c2nnn[n-]2)n1 ZINC001604978649 1169770533 /nfs/dbraw/zinc/77/05/33/1169770533.db2.gz XBKDGNYCKSITCD-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1ccc(NCc2cnoc2C)c(-c2nn[n-]n2)n1 ZINC001604978649 1169770542 /nfs/dbraw/zinc/77/05/42/1169770542.db2.gz XBKDGNYCKSITCD-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)OC ZINC001605011513 1169778434 /nfs/dbraw/zinc/77/84/34/1169778434.db2.gz DAZJXJBTRWGWOD-UHFFFAOYSA-N -1 1 301.306 0.801 20 0 DCADMM CO[C@@H]1CCC[C@H]([C@H](CO)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001605027788 1169785100 /nfs/dbraw/zinc/78/51/00/1169785100.db2.gz CIGFUYRLEOHXOJ-SUHUHFCYSA-N -1 1 318.381 0.662 20 0 DCADMM CO[C@@H]1CCC[C@H]([C@H](CO)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001605027788 1169785107 /nfs/dbraw/zinc/78/51/07/1169785107.db2.gz CIGFUYRLEOHXOJ-SUHUHFCYSA-N -1 1 318.381 0.662 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001605039033 1169791300 /nfs/dbraw/zinc/79/13/00/1169791300.db2.gz ZLCNIUUFUFUQNW-NWDGAFQWSA-N -1 1 318.337 0.138 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001605039033 1169791304 /nfs/dbraw/zinc/79/13/04/1169791304.db2.gz ZLCNIUUFUFUQNW-NWDGAFQWSA-N -1 1 318.337 0.138 20 0 DCADMM CC[C@H](COC)NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001605054905 1169798284 /nfs/dbraw/zinc/79/82/84/1169798284.db2.gz OMUMTVQRKDELGV-VXGBXAGGSA-N -1 1 301.387 0.602 20 0 DCADMM COC[C@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCOC1 ZINC001605065591 1169801726 /nfs/dbraw/zinc/80/17/26/1169801726.db2.gz WSAMHNUUBZQDTB-CYBMUJFWSA-N -1 1 304.310 0.253 20 0 DCADMM COC[C@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCOC1 ZINC001605065591 1169801739 /nfs/dbraw/zinc/80/17/39/1169801739.db2.gz WSAMHNUUBZQDTB-CYBMUJFWSA-N -1 1 304.310 0.253 20 0 DCADMM COC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001605073169 1169810363 /nfs/dbraw/zinc/81/03/63/1169810363.db2.gz ZBBFWQLSACSASK-SSDOTTSWSA-N -1 1 308.729 0.776 20 0 DCADMM COCc1nc(COc2ccc(F)nc2-c2nn[n-]n2)no1 ZINC001605136612 1169840262 /nfs/dbraw/zinc/84/02/62/1169840262.db2.gz HRUNHKJMNHBFMW-UHFFFAOYSA-N -1 1 307.245 0.509 20 0 DCADMM CON(C)C(=O)[C@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001605140758 1169841993 /nfs/dbraw/zinc/84/19/93/1169841993.db2.gz HJRYORBELHKSAY-LURJTMIESA-N -1 1 311.733 0.735 20 0 DCADMM CON(C)C(=O)[C@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001605140758 1169841999 /nfs/dbraw/zinc/84/19/99/1169841999.db2.gz HJRYORBELHKSAY-LURJTMIESA-N -1 1 311.733 0.735 20 0 DCADMM CON1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001605143396 1169843310 /nfs/dbraw/zinc/84/33/10/1169843310.db2.gz SFAZKPKICQMBNJ-UHFFFAOYSA-N -1 1 306.301 0.325 20 0 DCADMM CON1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001605143396 1169843325 /nfs/dbraw/zinc/84/33/25/1169843325.db2.gz SFAZKPKICQMBNJ-UHFFFAOYSA-N -1 1 306.301 0.325 20 0 DCADMM COc1ccc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC001605255813 1169881851 /nfs/dbraw/zinc/88/18/51/1169881851.db2.gz XHDFYDVHURAYCG-UHFFFAOYSA-N -1 1 311.301 0.920 20 0 DCADMM COc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1F ZINC001605285780 1169887023 /nfs/dbraw/zinc/88/70/23/1169887023.db2.gz OXDTVZYCBNBUEY-UHFFFAOYSA-N -1 1 301.285 0.838 20 0 DCADMM CCCNC(=O)[C@@H](C)[N@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605326469 1169894645 /nfs/dbraw/zinc/89/46/45/1169894645.db2.gz WQPMTVLVNOXSLQ-GPZIFOQPSA-N -1 1 312.366 0.399 20 0 DCADMM CCCN1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001605326299 1169895456 /nfs/dbraw/zinc/89/54/56/1169895456.db2.gz SUBCGTYSXNEHBO-UHFFFAOYSA-N -1 1 307.350 0.101 20 0 DCADMM COc1ncc(NC(=O)c2cc(C)on2)cc1-c1nn[n-]n1 ZINC001605346262 1169897492 /nfs/dbraw/zinc/89/74/92/1169897492.db2.gz WWVHRTUYHRYTKQ-UHFFFAOYSA-N -1 1 301.266 0.819 20 0 DCADMM COc1cncnc1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001605342965 1169898529 /nfs/dbraw/zinc/89/85/29/1169898529.db2.gz SYBSMCZLGVTMNN-UHFFFAOYSA-N -1 1 301.266 0.819 20 0 DCADMM COc1cncnc1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001605342965 1169898537 /nfs/dbraw/zinc/89/85/37/1169898537.db2.gz SYBSMCZLGVTMNN-UHFFFAOYSA-N -1 1 301.266 0.819 20 0 DCADMM COc1coc(Cn2cc(-c3nn[n-]n3)ccc2=O)cc1=O ZINC001605342718 1169898944 /nfs/dbraw/zinc/89/89/44/1169898944.db2.gz MDIPFQWINSOLER-UHFFFAOYSA-N -1 1 301.262 0.039 20 0 DCADMM CCCc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)n[nH]1 ZINC001605369832 1169906046 /nfs/dbraw/zinc/90/60/46/1169906046.db2.gz NQJPXELQVUWGTF-NXEZZACHSA-N -1 1 309.322 0.308 20 0 DCADMM C[C@@H]1COCCN1Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC001605425861 1169917425 /nfs/dbraw/zinc/91/74/25/1169917425.db2.gz VVRKBWDCGAXKFM-SECBINFHSA-N -1 1 300.326 0.130 20 0 DCADMM C[C@@H]1COCCN1Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC001605425861 1169917429 /nfs/dbraw/zinc/91/74/29/1169917429.db2.gz VVRKBWDCGAXKFM-SECBINFHSA-N -1 1 300.326 0.130 20 0 DCADMM C[C@H]1C(=O)NCCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001605442609 1169922255 /nfs/dbraw/zinc/92/22/55/1169922255.db2.gz GIJDNVLRDBZXLI-YFKPBYRVSA-N -1 1 313.774 0.691 20 0 DCADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)cnn1C(C)(C)C ZINC001605483939 1169936173 /nfs/dbraw/zinc/93/61/73/1169936173.db2.gz 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ZINC001605671233 1169983758 /nfs/dbraw/zinc/98/37/58/1169983758.db2.gz LYXRZJNYYGKQEV-UHFFFAOYSA-N -1 1 304.329 0.491 20 0 DCADMM CCOc1ccc(C[C@H](CNC(=O)c2cnn[nH]2)C(=O)[O-])cc1 ZINC001605686794 1169986246 /nfs/dbraw/zinc/98/62/46/1169986246.db2.gz ZPQSQXJOVWEVDI-LLVKDONJSA-N -1 1 318.333 0.877 20 0 DCADMM Cc1cc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)ccc1O ZINC001605704073 1169987365 /nfs/dbraw/zinc/98/73/65/1169987365.db2.gz OTYKAUAQXHVIIQ-QMMMGPOBSA-N -1 1 314.309 0.672 20 0 DCADMM Cc1cc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)nn1C ZINC001605712902 1169989681 /nfs/dbraw/zinc/98/96/81/1169989681.db2.gz CRGPUNCPWTTZOE-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1cc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)nn1C ZINC001605712902 1169989684 /nfs/dbraw/zinc/98/96/84/1169989684.db2.gz CRGPUNCPWTTZOE-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1cc(N[C@@H]2CCc3c(nnn3C)C2)nc(-c2nnn[n-]2)c1 ZINC001605724502 1169992966 /nfs/dbraw/zinc/99/29/66/1169992966.db2.gz ZTJXMSZDDOBCSP-SECBINFHSA-N -1 1 311.353 0.668 20 0 DCADMM Cc1cc(N[C@@H]2CCc3c(nnn3C)C2)nc(-c2nn[n-]n2)c1 ZINC001605724502 1169992969 /nfs/dbraw/zinc/99/29/69/1169992969.db2.gz ZTJXMSZDDOBCSP-SECBINFHSA-N -1 1 311.353 0.668 20 0 DCADMM CCc1[nH]c(CN[C@@H]2C(=O)NCC23CCOCC3)cc1C(=O)[O-] ZINC001605773289 1169999131 /nfs/dbraw/zinc/99/91/31/1169999131.db2.gz CFFZJZTVSRELDU-CYBMUJFWSA-N -1 1 321.377 0.660 20 0 DCADMM CCc1ccc(CC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])nc1 ZINC001605810004 1170006407 /nfs/dbraw/zinc/00/64/07/1170006407.db2.gz OTCAJMHLHQWDOS-CYBMUJFWSA-N -1 1 302.334 0.722 20 0 DCADMM CCc1[nH]nc(Cl)c1C[N@@H+]1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001605842854 1170010047 /nfs/dbraw/zinc/01/00/47/1170010047.db2.gz WSAZYITYQXDJNG-SFYZADRCSA-N -1 1 315.757 0.931 20 0 DCADMM CCc1[nH]nc(Cl)c1CN1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001605842854 1170010053 /nfs/dbraw/zinc/01/00/53/1170010053.db2.gz WSAZYITYQXDJNG-SFYZADRCSA-N -1 1 315.757 0.931 20 0 DCADMM Cc1ccc(N[C@H](CO)[C@@H]2CCCOC2)nc1-c1nnn[n-]1 ZINC001605871729 1170018429 /nfs/dbraw/zinc/01/84/29/1170018429.db2.gz JVKVFSRRVPFRLK-GHMZBOCLSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1ccc(N[C@H](CO)[C@@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001605871729 1170018434 /nfs/dbraw/zinc/01/84/34/1170018434.db2.gz JVKVFSRRVPFRLK-GHMZBOCLSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1ccc(NC[C@@H]2CCCS2(=O)=O)c(-c2nnn[n-]2)n1 ZINC001605875081 1170018987 /nfs/dbraw/zinc/01/89/87/1170018987.db2.gz XRJOPFAUJFCRIS-VIFPVBQESA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc(NC[C@@H]2CCCS2(=O)=O)c(-c2nn[n-]n2)n1 ZINC001605875081 1170018994 /nfs/dbraw/zinc/01/89/94/1170018994.db2.gz XRJOPFAUJFCRIS-VIFPVBQESA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccn(CN2CCC[C@@H](O)[C@H]2C)c(=O)c1-c1nn[n-]n1 ZINC001605950520 1170033011 /nfs/dbraw/zinc/03/30/11/1170033011.db2.gz WSZBQUVFDJIBQW-GHMZBOCLSA-N -1 1 304.354 0.140 20 0 DCADMM CN(C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)[C@@H]1CCN(C2CC2)C1 ZINC001605952578 1170035302 /nfs/dbraw/zinc/03/53/02/1170035302.db2.gz YNEKZPVXJKZYQJ-MLGOLLRUSA-N -1 1 323.393 0.005 20 0 DCADMM Cc1cnccc1COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001605986112 1170043097 /nfs/dbraw/zinc/04/30/97/1170043097.db2.gz KWTGRYIFWBQNND-VIFPVBQESA-N -1 1 314.309 0.466 20 0 DCADMM Cc1n[nH]c(C)c1C[C@@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001606009979 1170046669 /nfs/dbraw/zinc/04/66/69/1170046669.db2.gz SXUQKUJMAPKLRE-ZCFIWIBFSA-N -1 1 315.341 0.504 20 0 DCADMM Cc1csc(NCCNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001606007413 1170047373 /nfs/dbraw/zinc/04/73/73/1170047373.db2.gz SABSJQOPGMCOQL-UHFFFAOYSA-N -1 1 303.355 0.946 20 0 DCADMM Cc1csc(NCCNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001606007413 1170047381 /nfs/dbraw/zinc/04/73/81/1170047381.db2.gz SABSJQOPGMCOQL-UHFFFAOYSA-N -1 1 303.355 0.946 20 0 DCADMM Cc1[nH]nc(C(=O)N2CCc3cc(-c4nn[nH]n4)ccc32)c1[O-] ZINC001606008583 1170047811 /nfs/dbraw/zinc/04/78/11/1170047811.db2.gz GAVIFANEZHLGLU-UHFFFAOYSA-N -1 1 311.305 0.807 20 0 DCADMM Cc1nc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)no1 ZINC001606044327 1170063969 /nfs/dbraw/zinc/06/39/69/1170063969.db2.gz CDKVQWFDIOUAGO-UHFFFAOYSA-N -1 1 313.321 0.647 20 0 DCADMM CN(CC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1)[C@@H]1CCSC1 ZINC001606080711 1170071480 /nfs/dbraw/zinc/07/14/80/1170071480.db2.gz MLGWVLTVVBTNIM-UTUOFQBUSA-N -1 1 316.423 0.277 20 0 DCADMM CN(CC(=O)N[C@@]1(CC(=O)[O-])CCCOC1)[C@H]1CCSC1 ZINC001606080687 1170072009 /nfs/dbraw/zinc/07/20/09/1170072009.db2.gz KXPJFUFZWDZFJZ-SMDDNHRTSA-N -1 1 316.423 0.564 20 0 DCADMM Cc1nn(C[C@H]2C[C@]23CCOC3)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114406 1170078590 /nfs/dbraw/zinc/07/85/90/1170078590.db2.gz MUSYRQMXOWWGHJ-YGRLFVJLSA-N -1 1 302.338 0.467 20 0 DCADMM Cc1nn(CC(=O)NCC(C)(C)C)c(=O)c(-c2nn[n-]n2)c1C ZINC001606115027 1170081771 /nfs/dbraw/zinc/08/17/71/1170081771.db2.gz IUWQNQNKOYOPRW-UHFFFAOYSA-N -1 1 319.369 0.203 20 0 DCADMM Cc1noc(C)c1C(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001606128949 1170087154 /nfs/dbraw/zinc/08/71/54/1170087154.db2.gz VSQSFMRQFYNBNV-UHFFFAOYSA-N -1 1 300.278 0.516 20 0 DCADMM Cc1nsc(N2CCC[C@@H](OCCO)C2)c1-c1nn[n-]n1 ZINC001606144676 1170094685 /nfs/dbraw/zinc/09/46/85/1170094685.db2.gz KPQDFOWPELNRFP-SECBINFHSA-N -1 1 310.383 0.609 20 0 DCADMM Cc1nsc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1-c1nnn[n-]1 ZINC001606149525 1170096473 /nfs/dbraw/zinc/09/64/73/1170096473.db2.gz UOKRZBASCJNALR-FTLITQJKSA-N -1 1 306.351 0.995 20 0 DCADMM Cc1nsc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1-c1nn[n-]n1 ZINC001606149525 1170096477 /nfs/dbraw/zinc/09/64/77/1170096477.db2.gz UOKRZBASCJNALR-FTLITQJKSA-N -1 1 306.351 0.995 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001606167673 1170101452 /nfs/dbraw/zinc/10/14/52/1170101452.db2.gz SREVFUZYNMLAFX-BDAKNGLRSA-N -1 1 318.337 0.542 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001606167673 1170101455 /nfs/dbraw/zinc/10/14/55/1170101455.db2.gz SREVFUZYNMLAFX-BDAKNGLRSA-N -1 1 318.337 0.542 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NOCCO ZINC001606171697 1170102611 /nfs/dbraw/zinc/10/26/11/1170102611.db2.gz OXIHWZMMUCRZAJ-UHFFFAOYSA-N -1 1 318.293 0.213 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NOCCO ZINC001606171697 1170102613 /nfs/dbraw/zinc/10/26/13/1170102613.db2.gz OXIHWZMMUCRZAJ-UHFFFAOYSA-N -1 1 318.293 0.213 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H](C)O[C@H]2C)c1-c1nnn[n-]1 ZINC001606180029 1170104194 /nfs/dbraw/zinc/10/41/94/1170104194.db2.gz VWIHPQURVCWIKF-ACLDMZEESA-N -1 1 306.326 0.388 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H](C)O[C@H]2C)c1-c1nn[n-]n1 ZINC001606180029 1170104196 /nfs/dbraw/zinc/10/41/96/1170104196.db2.gz VWIHPQURVCWIKF-ACLDMZEESA-N -1 1 306.326 0.388 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H](C(C)(C)O)C2)c1-c1nnn[n-]1 ZINC001606178603 1170105048 /nfs/dbraw/zinc/10/50/48/1170105048.db2.gz OEIPRJMEENLJPD-VIFPVBQESA-N -1 1 320.353 0.325 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H](C(C)(C)O)C2)c1-c1nn[n-]n1 ZINC001606178603 1170105049 /nfs/dbraw/zinc/10/50/49/1170105049.db2.gz OEIPRJMEENLJPD-VIFPVBQESA-N -1 1 320.353 0.325 20 0 DCADMM CN1C[C@@H]2CCN(S(=O)(=O)Cc3ccccc3C(=O)[O-])[C@@H]2C1 ZINC001606207964 1170113853 /nfs/dbraw/zinc/11/38/53/1170113853.db2.gz BQNGVQNGSPLCOP-SMDDNHRTSA-N -1 1 324.402 0.851 20 0 DCADMM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NCC1=CCN(C)CC1 ZINC001606208735 1170114302 /nfs/dbraw/zinc/11/43/02/1170114302.db2.gz JUHSJHHCAXUPFY-UHFFFAOYSA-N -1 1 313.379 0.264 20 0 DCADMM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC001606215347 1170119116 /nfs/dbraw/zinc/11/91/16/1170119116.db2.gz GIZANQTUGYSNPD-CYBMUJFWSA-N -1 1 319.361 0.463 20 0 DCADMM CN1CCC[C@@H]1c1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])[nH]n1 ZINC001606226209 1170124423 /nfs/dbraw/zinc/12/44/23/1170124423.db2.gz FHFKTDDUDRUKOU-ZWNOBZJWSA-N -1 1 322.365 0.492 20 0 DCADMM CN1CCN(C(=O)CSCC(F)(F)F)C[C@@H](C(=O)[O-])C1 ZINC001606233631 1170129418 /nfs/dbraw/zinc/12/94/18/1170129418.db2.gz WNJCZBHCZYWELH-QMMMGPOBSA-N -1 1 314.329 0.757 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)[C@@H]2CC23CCC3)CC1 ZINC001606241585 1170132046 /nfs/dbraw/zinc/13/20/46/1170132046.db2.gz XJGNDPJSJOYBTE-ZDUSSCGKSA-N -1 1 309.410 0.337 20 0 DCADMM CN1CCN(CCn2cc(C3CCC(C(=O)[O-])CC3)nn2)CC1 ZINC001606242644 1170134444 /nfs/dbraw/zinc/13/44/44/1170134444.db2.gz NBCLETTWCOANMR-UHFFFAOYSA-N -1 1 321.425 0.884 20 0 DCADMM Cn1cnnc1CCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606265485 1170140156 /nfs/dbraw/zinc/14/01/56/1170140156.db2.gz BVLWXKRSZKDREK-UHFFFAOYSA-N -1 1 318.366 0.419 20 0 DCADMM Cn1cnnc1CCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001606265485 1170140161 /nfs/dbraw/zinc/14/01/61/1170140161.db2.gz BVLWXKRSZKDREK-UHFFFAOYSA-N -1 1 318.366 0.419 20 0 DCADMM Cn1nccc1CCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606282391 1170147615 /nfs/dbraw/zinc/14/76/15/1170147615.db2.gz VSWFMDRFFXDDAH-UHFFFAOYSA-N -1 1 313.321 0.877 20 0 DCADMM COC(=O)[C@H]1C[C@H](O)CN(CCOc2ccccc2C(=O)[O-])C1 ZINC001606379038 1170175897 /nfs/dbraw/zinc/17/58/97/1170175897.db2.gz ZMEYGWGXHLWASR-RYUDHWBXSA-N -1 1 323.345 0.619 20 0 DCADMM NC(=O)NCCCOC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001606422085 1170194109 /nfs/dbraw/zinc/19/41/09/1170194109.db2.gz GAKUTWZWMMEPTG-UHFFFAOYSA-N -1 1 308.273 0.221 20 0 DCADMM NC(=O)NCCCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001606422085 1170194114 /nfs/dbraw/zinc/19/41/14/1170194114.db2.gz GAKUTWZWMMEPTG-UHFFFAOYSA-N -1 1 308.273 0.221 20 0 DCADMM COC(=O)[C@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@@H]1C(=O)[O-] ZINC001606428048 1170197025 /nfs/dbraw/zinc/19/70/25/1170197025.db2.gz AGCLEODSTGMCSF-RYUDHWBXSA-N -1 1 309.366 0.944 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2cc(C)c(C(=O)[O-])[nH]2)C[C@H]1C(=O)OC ZINC001606432138 1170200193 /nfs/dbraw/zinc/20/01/93/1170200193.db2.gz YKMUOAHSSYPIJH-GHMZBOCLSA-N -1 1 324.333 0.415 20 0 DCADMM Nc1nnc(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)o1 ZINC001606456115 1170210726 /nfs/dbraw/zinc/21/07/26/1170210726.db2.gz DMIUJFIZSVDGEX-UHFFFAOYSA-N -1 1 314.313 0.006 20 0 DCADMM COC(=O)CCN1CCN(c2nccc(C(=O)[O-])n2)[C@@H](C)C1 ZINC001606454858 1170211668 /nfs/dbraw/zinc/21/16/68/1170211668.db2.gz HTBXLUNUAZDUCC-JTQLQIEISA-N -1 1 308.338 0.248 20 0 DCADMM O=C(C1CC1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001606463944 1170214265 /nfs/dbraw/zinc/21/42/65/1170214265.db2.gz QEFLTEHDEOKYER-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C(C1CC1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001606463944 1170214269 /nfs/dbraw/zinc/21/42/69/1170214269.db2.gz QEFLTEHDEOKYER-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC001606515575 1170226079 /nfs/dbraw/zinc/22/60/79/1170226079.db2.gz WDZBFIZCPYTPIG-QMMMGPOBSA-N -1 1 323.330 0.684 20 0 DCADMM COC(=O)c1ccc(OC)c2c1CC[N@@H+](C[C@@](C)(O)C(=O)[O-])C2 ZINC001606601306 1170240084 /nfs/dbraw/zinc/24/00/84/1170240084.db2.gz SDHROSOQXLOXET-MRXNPFEDSA-N -1 1 323.345 0.676 20 0 DCADMM COC(=O)c1ccc(OC)c2c1CCN(C[C@@](C)(O)C(=O)[O-])C2 ZINC001606601306 1170240087 /nfs/dbraw/zinc/24/00/87/1170240087.db2.gz SDHROSOQXLOXET-MRXNPFEDSA-N -1 1 323.345 0.676 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC(OCC(F)F)C1 ZINC001606595258 1170240128 /nfs/dbraw/zinc/24/01/28/1170240128.db2.gz UGQWIDLDFIHVBZ-UHFFFAOYSA-N -1 1 324.291 0.297 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC(OCC(F)F)C1 ZINC001606595258 1170240132 /nfs/dbraw/zinc/24/01/32/1170240132.db2.gz UGQWIDLDFIHVBZ-UHFFFAOYSA-N -1 1 324.291 0.297 20 0 DCADMM O=C(Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2)N1CCC1 ZINC001606616523 1170243715 /nfs/dbraw/zinc/24/37/15/1170243715.db2.gz VMJOJTMZOYMPLZ-UHFFFAOYSA-N -1 1 314.349 0.140 20 0 DCADMM O=C(Cn1cccn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606620049 1170245619 /nfs/dbraw/zinc/24/56/19/1170245619.db2.gz PCDRIYLTXPXMJN-UHFFFAOYSA-N -1 1 310.730 0.812 20 0 DCADMM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001606649214 1170252158 /nfs/dbraw/zinc/25/21/58/1170252158.db2.gz UOWDEFFRVJJROC-NXEZZACHSA-N -1 1 305.363 0.962 20 0 DCADMM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001606649214 1170252163 /nfs/dbraw/zinc/25/21/63/1170252163.db2.gz UOWDEFFRVJJROC-NXEZZACHSA-N -1 1 305.363 0.962 20 0 DCADMM O=C(CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)N1CCCC1 ZINC001606695652 1170264166 /nfs/dbraw/zinc/26/41/66/1170264166.db2.gz FZYCZUJWMFMDFO-UHFFFAOYSA-N -1 1 316.325 0.006 20 0 DCADMM O=C(CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)N1CCCC1 ZINC001606695652 1170264172 /nfs/dbraw/zinc/26/41/72/1170264172.db2.gz FZYCZUJWMFMDFO-UHFFFAOYSA-N -1 1 316.325 0.006 20 0 DCADMM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)C1 ZINC001606698541 1170266406 /nfs/dbraw/zinc/26/64/06/1170266406.db2.gz XDWJYRQLUFIGLV-OTYXRUKQSA-N -1 1 310.354 0.534 20 0 DCADMM CO[C@@H]1CN(CC[S@](=O)C(F)(F)F)[C@@](C)(C(=O)[O-])C1 ZINC001606773576 1170285403 /nfs/dbraw/zinc/28/54/03/1170285403.db2.gz XACOLZWNBURMHP-CMRPPPNUSA-N -1 1 303.302 0.819 20 0 DCADMM O=C(N[C@]12C[C@H]1COC21CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001606891847 1170324652 /nfs/dbraw/zinc/32/46/52/1170324652.db2.gz XZWWHIDLVIJFMW-LKFCYVNXSA-N -1 1 301.306 0.901 20 0 DCADMM O=C(N[C@]12C[C@H]1COC21CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001606891847 1170324659 /nfs/dbraw/zinc/32/46/59/1170324659.db2.gz XZWWHIDLVIJFMW-LKFCYVNXSA-N -1 1 301.306 0.901 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C1CCS(=O)(=O)CC1 ZINC001606934133 1170334661 /nfs/dbraw/zinc/33/46/61/1170334661.db2.gz VISSYZLRWWVZTD-UHFFFAOYSA-N -1 1 322.350 0.025 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C1CCS(=O)(=O)CC1 ZINC001606934133 1170334663 /nfs/dbraw/zinc/33/46/63/1170334663.db2.gz VISSYZLRWWVZTD-UHFFFAOYSA-N -1 1 322.350 0.025 20 0 DCADMM O=C([O-])[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001606957977 1170338655 /nfs/dbraw/zinc/33/86/55/1170338655.db2.gz MZKYSWNKQMAELF-STQMWFEESA-N -1 1 317.349 0.839 20 0 DCADMM O=C(OCCCN1CCOC1=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606968127 1170342440 /nfs/dbraw/zinc/34/24/40/1170342440.db2.gz HCJFBDBTTHBYNC-UHFFFAOYSA-N -1 1 318.293 0.261 20 0 DCADMM O=C(OCCCN1CCOC1=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606968127 1170342443 /nfs/dbraw/zinc/34/24/43/1170342443.db2.gz HCJFBDBTTHBYNC-UHFFFAOYSA-N -1 1 318.293 0.261 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(-c2nn[n-]n2)o1 ZINC001606965266 1170342895 /nfs/dbraw/zinc/34/28/95/1170342895.db2.gz MGTHRIZPXBXOFM-FYBVGQRMSA-N -1 1 306.278 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/nfs/dbraw/zinc/36/87/73/1170368773.db2.gz SDDCHTSOVPMEKJ-UHFFFAOYSA-N -1 1 322.332 0.510 20 0 DCADMM O=C1CN(c2ccc(-c3nn[n-]n3)nn2)CCN1c1ccccc1 ZINC001607047494 1170368775 /nfs/dbraw/zinc/36/87/75/1170368775.db2.gz SDDCHTSOVPMEKJ-UHFFFAOYSA-N -1 1 322.332 0.510 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCOC(=O)N1 ZINC001607048305 1170369712 /nfs/dbraw/zinc/36/97/12/1170369712.db2.gz IWCGYTCBMQPWHE-ZETCQYMHSA-N -1 1 304.266 0.009 20 0 DCADMM O=C1O[C@@H](CNc2nccnc2-c2nnn[n-]2)CN1C1CC1 ZINC001607054672 1170372613 /nfs/dbraw/zinc/37/26/13/1170372613.db2.gz OALULUGSVKAVIX-QMMMGPOBSA-N -1 1 302.298 0.052 20 0 DCADMM O=C1O[C@@H](CNc2nccnc2-c2nn[n-]n2)CN1C1CC1 ZINC001607054672 1170372623 /nfs/dbraw/zinc/37/26/23/1170372623.db2.gz OALULUGSVKAVIX-QMMMGPOBSA-N -1 1 302.298 0.052 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC001607060512 1170374442 /nfs/dbraw/zinc/37/44/42/1170374442.db2.gz TWYZQTFACKKQGE-UBHAPETDSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC001607060512 1170374446 /nfs/dbraw/zinc/37/44/46/1170374446.db2.gz TWYZQTFACKKQGE-UBHAPETDSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(NCc1cnccn1)c1ccc(-c2nnn[n-]2)s1 ZINC001607067077 1170376250 /nfs/dbraw/zinc/37/62/50/1170376250.db2.gz UZCIHIZYFLRWOH-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM O=S(=O)(NCc1cnccn1)c1ccc(-c2nn[n-]n2)s1 ZINC001607067077 1170376257 /nfs/dbraw/zinc/37/62/57/1170376257.db2.gz UZCIHIZYFLRWOH-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM COc1cc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)ccn1 ZINC001607072594 1170379434 /nfs/dbraw/zinc/37/94/34/1170379434.db2.gz SCCNWBBOSWMNHD-UHFFFAOYSA-N -1 1 307.350 0.711 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1nc(C2CCCC2)no1 ZINC001607089793 1170386111 /nfs/dbraw/zinc/38/61/11/1170386111.db2.gz MMNVTYLEIOENFE-UHFFFAOYSA-N -1 1 314.309 0.512 20 0 DCADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CCn1cncn1 ZINC001607090213 1170386469 /nfs/dbraw/zinc/38/64/69/1170386469.db2.gz 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O=C([O-])c1coc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC001608986951 1170780895 /nfs/dbraw/zinc/78/08/95/1170780895.db2.gz VSUVTOZEEQHFLY-VXGBXAGGSA-N -1 1 308.334 0.649 20 0 DCADMM O=C([O-])[C@@H](O)C1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC001609042276 1170790748 /nfs/dbraw/zinc/79/07/48/1170790748.db2.gz WXPYTHWYERGEPZ-HNNXBMFYSA-N -1 1 320.345 0.675 20 0 DCADMM CC(=O)NC1CCC(Nc2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001609063381 1170796194 /nfs/dbraw/zinc/79/61/94/1170796194.db2.gz IPYINLLJQIOGEU-UHFFFAOYSA-N -1 1 315.381 0.851 20 0 DCADMM CC(=O)NC1CCC(Nc2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001609063381 1170796198 /nfs/dbraw/zinc/79/61/98/1170796198.db2.gz IPYINLLJQIOGEU-UHFFFAOYSA-N -1 1 315.381 0.851 20 0 DCADMM C[C@H](C(=O)N[C@@H]1CC12CCCCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001609068341 1170798535 /nfs/dbraw/zinc/79/85/35/1170798535.db2.gz IEQGYZQELNZSMT-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CC(C)O[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001609101995 1170808616 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DCADMM CN([C@@H]1CCN(C)C1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000314940697 774753389 /nfs/dbraw/zinc/75/33/89/774753389.db2.gz SBCWIKQCXCGOJJ-SECBINFHSA-N -1 1 316.354 0.849 20 0 DCADMM COCCCC(=O)N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2 ZINC001202551530 774950978 /nfs/dbraw/zinc/95/09/78/774950978.db2.gz HRDUYYLDBYPUSJ-QWRGUYRKSA-N -1 1 323.397 0.454 20 0 DCADMM CC[C@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC001095344091 775007559 /nfs/dbraw/zinc/00/75/59/775007559.db2.gz IDDMNZWIBPCVDB-KXNHARMFSA-N -1 1 318.377 0.386 20 0 DCADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(CF)CC2)C3)nc1=O ZINC001111011031 775389320 /nfs/dbraw/zinc/38/93/20/775389320.db2.gz AFEJROBZEHIYPL-MXWKQRLJSA-N -1 1 323.372 0.080 20 0 DCADMM CC(C)(C)OC(=O)N1CCCO[C@H](COCc2nn[n-]n2)C1 ZINC001223027200 775452656 /nfs/dbraw/zinc/45/26/56/775452656.db2.gz NJLXZPFXMGVRNJ-JTQLQIEISA-N -1 1 313.358 0.742 20 0 DCADMM CC(C)(C)OC(=O)N1CC[C@@H](OCCOCc2nn[n-]n2)C1 ZINC001223027798 775453523 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COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC001362290761 959079342 /nfs/dbraw/zinc/07/93/42/959079342.db2.gz BMEPIGTXYJLLDC-SNVBAGLBSA-N -1 1 309.370 0.570 20 0 DCADMM O=C(CCc1nn[n-]n1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC001362299849 959098504 /nfs/dbraw/zinc/09/85/04/959098504.db2.gz XMBUTULSQQEJSE-SNVBAGLBSA-N -1 1 316.369 0.534 20 0 DCADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCc1nn[n-]n1 ZINC001362308416 959114659 /nfs/dbraw/zinc/11/46/59/959114659.db2.gz JTBMUMSXMCFRBR-SNVBAGLBSA-N -1 1 324.385 0.600 20 0 DCADMM Cc1c(C(=O)NCCCNC(=O)c2ncccc2[O-])ccn1C ZINC001491679698 959125798 /nfs/dbraw/zinc/12/57/98/959125798.db2.gz ZNBRKYHDHOJYIB-UHFFFAOYSA-N -1 1 316.361 0.984 20 0 DCADMM COCCN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)C2CC2)CC1 ZINC001368056053 959159672 /nfs/dbraw/zinc/15/96/72/959159672.db2.gz QDSVQLVBIOVTRC-UHFFFAOYSA-N -1 1 323.397 0.360 20 0 DCADMM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CCCc1nn[n-]n1 ZINC001362336541 959167069 /nfs/dbraw/zinc/16/70/69/959167069.db2.gz 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Cn1cc([C@@H](CO)NC(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC001362416605 959313098 /nfs/dbraw/zinc/31/30/98/959313098.db2.gz CXMQSGJLKHRIHO-LLVKDONJSA-N -1 1 303.322 0.257 20 0 DCADMM CNC(=O)CC1CCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001362415711 959314594 /nfs/dbraw/zinc/31/45/94/959314594.db2.gz PHPILIDZPBIHFK-UHFFFAOYSA-N -1 1 324.406 0.892 20 0 DCADMM CNS(=O)(=O)c1cccc(NC(=O)c2n[nH]c(C)c2[O-])c1C ZINC001362423884 959330006 /nfs/dbraw/zinc/33/00/06/959330006.db2.gz BPVLEINQPJEWPF-UHFFFAOYSA-N -1 1 324.362 0.893 20 0 DCADMM Cc1cncc(CCC(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC001362435533 959351161 /nfs/dbraw/zinc/35/11/61/959351161.db2.gz KFFXXSPNWVEXAO-UHFFFAOYSA-N -1 1 316.365 0.346 20 0 DCADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(S(N)(=O)=O)cc1F ZINC001594219988 959357748 /nfs/dbraw/zinc/35/77/48/959357748.db2.gz AAJBQEAWSXXZOP-PRHODGIISA-N -1 1 316.354 0.911 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC(=O)NCC(F)F ZINC001362484729 959445355 /nfs/dbraw/zinc/44/53/55/959445355.db2.gz 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COC[C@H](C)C(=O)NCCCN(C)C(=O)c1ncccc1[O-] ZINC001492295195 959860885 /nfs/dbraw/zinc/86/08/85/959860885.db2.gz RFMIAUWIXXMEDV-NSHDSACASA-N -1 1 309.366 0.648 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)Cc1noc(C2CC2)n1 ZINC001362742863 959918687 /nfs/dbraw/zinc/91/86/87/959918687.db2.gz YFLPRLNEOQQUGF-UHFFFAOYSA-N -1 1 321.293 0.429 20 0 DCADMM O=C(NCC1(NCc2cnon2)CCC1)c1ncccc1[O-] ZINC001368477707 959920576 /nfs/dbraw/zinc/92/05/76/959920576.db2.gz USAGFDJYRYADHF-UHFFFAOYSA-N -1 1 303.322 0.613 20 0 DCADMM CC(C)Oc1cccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)n1 ZINC001362761678 959950556 /nfs/dbraw/zinc/95/05/56/959950556.db2.gz ONQZYCXHMYHDQH-LLVKDONJSA-N -1 1 318.337 0.596 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC001362791114 959991900 /nfs/dbraw/zinc/99/19/00/959991900.db2.gz AJSVJINKYUVWQK-UHFFFAOYSA-N -1 1 324.362 0.976 20 0 DCADMM C[C@H](CNC(=O)CCCc1nn[n-]n1)NC(=O)OC(C)(C)C ZINC001362792218 959995573 /nfs/dbraw/zinc/99/55/73/959995573.db2.gz KWSLZFYCZFFHLI-SECBINFHSA-N 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ZAQHHMBYAYBHJM-UHFFFAOYSA-N -1 1 319.361 0.497 20 0 DCADMM CCc1ncncc1C(=O)N(C)C[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001379324835 962630748 /nfs/dbraw/zinc/63/07/48/962630748.db2.gz JJJHNMLCXVMGKW-SECBINFHSA-N -1 1 319.369 0.113 20 0 DCADMM O=C(c1cccc([O-])c1F)N1CCN2CCOC[C@@]2(CO)C1 ZINC001364243931 962741452 /nfs/dbraw/zinc/74/14/52/962741452.db2.gz GVUOFWBCKUTAHQ-HNNXBMFYSA-N -1 1 310.325 0.050 20 0 DCADMM CC(C)(C)OCC(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001380274897 962971626 /nfs/dbraw/zinc/97/16/26/962971626.db2.gz YWYLIVMMUDCLKI-SNVBAGLBSA-N -1 1 311.386 0.406 20 0 DCADMM CC(C)(C)OCC(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001380274891 962974119 /nfs/dbraw/zinc/97/41/19/962974119.db2.gz YWYLIVMMUDCLKI-JTQLQIEISA-N -1 1 311.386 0.406 20 0 DCADMM C[C@@H](NC(=O)c1cnns1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001380409004 963167421 /nfs/dbraw/zinc/16/74/21/963167421.db2.gz JMAHEQSTPFCYFO-SFYZADRCSA-N -1 1 321.362 0.576 20 0 DCADMM Cc1ncc(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])[nH]1 ZINC001380408131 963167910 /nfs/dbraw/zinc/16/79/10/963167910.db2.gz CGTVOIORLRNDLP-RKDXNWHRSA-N -1 1 317.349 0.756 20 0 DCADMM C[C@@H](NC(=O)c1n[nH]cc1F)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001380430685 963191651 /nfs/dbraw/zinc/19/16/51/963191651.db2.gz BHAWSBYDJLZHEZ-SFYZADRCSA-N -1 1 321.312 0.586 20 0 DCADMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCC1)[C@@H]1CCC1(F)F ZINC001380859491 963638504 /nfs/dbraw/zinc/63/85/04/963638504.db2.gz GODTUMGHPNYJKM-QMMMGPOBSA-N -1 1 315.324 0.684 20 0 DCADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000313998248 963698573 /nfs/dbraw/zinc/69/85/73/963698573.db2.gz CPRUKZBUTMEAFM-SNVBAGLBSA-N -1 1 304.262 0.744 20 0 DCADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000314801983 963813138 /nfs/dbraw/zinc/81/31/38/963813138.db2.gz SXDVUFUZNRVDNN-YPMHNXCESA-N -1 1 301.302 0.525 20 0 DCADMM CO[C@@H]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])no2)C1(C)C ZINC000315478875 963906757 /nfs/dbraw/zinc/90/67/57/963906757.db2.gz VUGZRENSUBYFEU-JGVFFNPUSA-N -1 1 304.324 0.465 20 0 DCADMM Cc1[nH]ncc1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000315496174 963909004 /nfs/dbraw/zinc/90/90/04/963909004.db2.gz WWXIFJYAIOAKNH-UHFFFAOYSA-N -1 1 302.290 0.785 20 0 DCADMM CCC(CC)[C@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315750224 963931831 /nfs/dbraw/zinc/93/18/31/963931831.db2.gz GOIIMMOAEVKZLV-SECBINFHSA-N -1 1 306.340 0.448 20 0 DCADMM CCc1cc(C(=O)N[C@@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001368853719 964035966 /nfs/dbraw/zinc/03/59/66/964035966.db2.gz PSKYZEPSXOKPJG-SFYZADRCSA-N -1 1 307.358 0.092 20 0 DCADMM Cc1ocnc1C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001375205773 964122126 /nfs/dbraw/zinc/12/21/26/964122126.db2.gz KNEJMRBXVUHBOM-SECBINFHSA-N -1 1 306.326 0.105 20 0 DCADMM O=C(N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)C1C=CC=CC=C1 ZINC001375229173 964151812 /nfs/dbraw/zinc/15/18/12/964151812.db2.gz DQRRPUDONPBJNS-CYBMUJFWSA-N -1 1 315.377 0.793 20 0 DCADMM COc1ccc(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)o1 ZINC001375263278 964184908 /nfs/dbraw/zinc/18/49/08/964184908.db2.gz DHZFGCYJRODXHR-SECBINFHSA-N -1 1 321.337 0.410 20 0 DCADMM C[C@H](CNC(=O)[C@@H](C)C1CCC1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001368956730 964189341 /nfs/dbraw/zinc/18/93/41/964189341.db2.gz XCGIINJUKKBNOY-MNOVXSKESA-N -1 1 309.414 0.481 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)C2(C)CCCC2)nc1=O ZINC001375330717 964265204 /nfs/dbraw/zinc/26/52/04/964265204.db2.gz JIPMNXUSRCNDSU-NSHDSACASA-N -1 1 307.398 0.379 20 0 DCADMM CCN(C(=O)C(C)(C)F)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001373693421 964489475 /nfs/dbraw/zinc/48/94/75/964489475.db2.gz CWEQPBOEYSWLCR-SNVBAGLBSA-N -1 1 313.377 0.279 20 0 DCADMM CCO[C@@H](C)C(=O)N(C)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001369204683 964523132 /nfs/dbraw/zinc/52/31/32/964523132.db2.gz YPHGUSLEQFWKOU-GXSJLCMTSA-N -1 1 311.386 0.262 20 0 DCADMM C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)NCc1n[nH]c(=O)[n-]1 ZINC001369280732 964645096 /nfs/dbraw/zinc/64/50/96/964645096.db2.gz CQPVAZPWYBZOJW-VIFPVBQESA-N -1 1 318.381 0.577 20 0 DCADMM CC(F)(F)C(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001373831568 964694116 /nfs/dbraw/zinc/69/41/16/964694116.db2.gz SCOZYGDGFIXMKJ-UHFFFAOYSA-N -1 1 303.313 0.684 20 0 DCADMM Cn1ccc(C(=O)NC2(CNCc3n[nH]c(=O)[n-]3)CCCC2)c1 ZINC001373842678 964706896 /nfs/dbraw/zinc/70/68/96/964706896.db2.gz YIGQSNZGEYEIHH-UHFFFAOYSA-N -1 1 318.381 0.681 20 0 DCADMM CC(C)CN1CC(N(C)C(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001375688962 964719407 /nfs/dbraw/zinc/71/94/07/964719407.db2.gz FOKAMNQQLQGPMJ-UHFFFAOYSA-N -1 1 309.370 0.014 20 0 DCADMM C[C@](CNCc1n[nH]c(=O)[n-]1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001373872963 964739642 /nfs/dbraw/zinc/73/96/42/964739642.db2.gz DBMZYHSSISMONR-QPUJVOFHSA-N -1 1 315.324 0.540 20 0 DCADMM CC(C)OCC(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001374007383 964880027 /nfs/dbraw/zinc/88/00/27/964880027.db2.gz SZAAUVJBSAWMBS-LBPRGKRZSA-N -1 1 321.377 0.933 20 0 DCADMM COC[C@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001374008845 964882437 /nfs/dbraw/zinc/88/24/37/964882437.db2.gz ZMEFLTDQRZWECA-RYUDHWBXSA-N -1 1 321.377 0.791 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CN(C)C/C=C/Cl)c1[O-] ZINC001369494669 965078200 /nfs/dbraw/zinc/07/82/00/965078200.db2.gz GIVIUWVBUCHKRZ-ORAHPGNNSA-N -1 1 316.789 0.541 20 0 DCADMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CC1(F)F ZINC001369537766 965148308 /nfs/dbraw/zinc/14/83/08/965148308.db2.gz DHGMJUUUDKTMLK-HTQZYQBOSA-N -1 1 317.340 0.786 20 0 DCADMM CCc1nc(C)c(C(=O)N(C)[C@H](C)CNCc2n[nH]c(=O)[n-]2)o1 ZINC001374304243 965255100 /nfs/dbraw/zinc/25/51/00/965255100.db2.gz FNWJIFWLUMDFLL-MRVPVSSYSA-N -1 1 322.369 0.619 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)NC(=O)c1cn[nH]c1 ZINC001369662019 965262994 /nfs/dbraw/zinc/26/29/94/965262994.db2.gz JFZYNWXLGZGEIT-DTWKUNHWSA-N -1 1 303.322 0.447 20 0 DCADMM Cc1ccc(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C(C)C)o1 ZINC001374410152 965352279 /nfs/dbraw/zinc/35/22/79/965352279.db2.gz LFBTWJNQDYENGW-JTQLQIEISA-N -1 1 307.354 0.956 20 0 DCADMM CC(C)[C@@H](CNC(=O)COC(C)(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001374417933 965362877 /nfs/dbraw/zinc/36/28/77/965362877.db2.gz XJLOYXAIOSVCMA-SNVBAGLBSA-N -1 1 313.402 0.556 20 0 DCADMM Cc1c[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001369848722 965487456 /nfs/dbraw/zinc/48/74/56/965487456.db2.gz PDJDTIFTXHUBRD-SNVBAGLBSA-N -1 1 317.349 0.709 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)C[C@H](C)NC(=O)[C@@H]2CCCN2C)c1[O-] ZINC001370470793 966162192 /nfs/dbraw/zinc/16/21/92/966162192.db2.gz DSWUCENJKLMLPD-ONGXEEELSA-N -1 1 323.397 0.095 20 0 DCADMM Cc1nc(C)c(C(=O)N[C@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)[nH]1 ZINC001447911373 1013642899 /nfs/dbraw/zinc/64/28/99/1013642899.db2.gz QMXYJZNZNYOARI-NKWVEPMBSA-N -1 1 307.358 0.147 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)c1cnoc1C1CC1 ZINC001381430367 966410666 /nfs/dbraw/zinc/41/06/66/966410666.db2.gz BPLGYXFRJOERIL-HTQZYQBOSA-N -1 1 320.353 0.672 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)c1ncccc1F ZINC001381437205 966417516 /nfs/dbraw/zinc/41/75/16/966417516.db2.gz QNGFKMUIEVENCW-HTQZYQBOSA-N -1 1 308.317 0.341 20 0 DCADMM CCCCC(=O)NC[C@@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001370992377 966649280 /nfs/dbraw/zinc/64/92/80/966649280.db2.gz WHXCJWVPOVWZOP-LLVKDONJSA-N -1 1 309.366 0.527 20 0 DCADMM C[C@H](CC(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1)C(F)(F)F ZINC001371345561 966920327 /nfs/dbraw/zinc/92/03/27/966920327.db2.gz WOSUAKHBSYCJIG-RQJHMYQMSA-N -1 1 309.292 0.693 20 0 DCADMM C[C@H](CNC(=O)c1ccccc1O)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001447989506 1013688856 /nfs/dbraw/zinc/68/88/56/1013688856.db2.gz UYMDORXOPZMYKB-SNVBAGLBSA-N -1 1 319.365 0.064 20 0 DCADMM CC(C)(C)n1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)nn1 ZINC001448005722 1013698749 /nfs/dbraw/zinc/69/87/49/1013698749.db2.gz QJQXKUXQTCVHGA-VIFPVBQESA-N -1 1 322.398 0.477 20 0 DCADMM COCCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001371551877 967110282 /nfs/dbraw/zinc/11/02/82/967110282.db2.gz YBTRHGOJPSRXSW-VXGBXAGGSA-N -1 1 319.361 0.497 20 0 DCADMM CCO[C@@H](C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001371585346 967145937 /nfs/dbraw/zinc/14/59/37/967145937.db2.gz DZNQGDRHLRDMCT-NWDGAFQWSA-N -1 1 321.377 0.885 20 0 DCADMM CO[C@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001371589335 967151163 /nfs/dbraw/zinc/15/11/63/967151163.db2.gz BGMAZOWEEQILMX-GHMZBOCLSA-N -1 1 307.350 0.495 20 0 DCADMM CCCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1nc(=O)n(C)[n-]1)CC2 ZINC001382314017 967206813 /nfs/dbraw/zinc/20/68/13/967206813.db2.gz ACBUEYJERBOWGY-BLLLJJGKSA-N -1 1 321.425 0.912 20 0 DCADMM CS[C@H](C)C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001382509566 967456068 /nfs/dbraw/zinc/45/60/68/967456068.db2.gz AFSXRBWMXNXYHD-RKDXNWHRSA-N -1 1 315.443 0.882 20 0 DCADMM Cn1ccc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C(C)(C)C)c1 ZINC001382512694 967457662 /nfs/dbraw/zinc/45/76/62/967457662.db2.gz BUDJEPJQQJAZJB-NSHDSACASA-N -1 1 320.397 0.783 20 0 DCADMM CSC[C@H](CCO)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605375566 1169908810 /nfs/dbraw/zinc/90/88/10/1169908810.db2.gz DYPGLFUJVZFHIP-QMMMGPOBSA-N -1 1 313.408 0.772 20 0 DCADMM CCCCC1(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)CC1 ZINC001372154578 967688878 /nfs/dbraw/zinc/68/88/78/967688878.db2.gz KDHBAJKITKWOFH-UHFFFAOYSA-N -1 1 309.414 0.627 20 0 DCADMM C[C@H](CNC(=O)C[C@H]1CCCO1)N(C)C(=O)c1ncccc1[O-] ZINC001382927489 967766232 /nfs/dbraw/zinc/76/62/32/967766232.db2.gz ZRIOXEBYXUMQLI-VXGBXAGGSA-N -1 1 321.377 0.933 20 0 DCADMM CN(C[C@@H](O)CNC(=O)[C@H]1CC1(C)C)C(=O)c1ncccc1[O-] ZINC001382967149 967807408 /nfs/dbraw/zinc/80/74/08/967807408.db2.gz FRGXJCHGPIWBFN-WDEREUQCSA-N -1 1 321.377 0.382 20 0 DCADMM CN(C[C@@H](O)CNC(=O)CCC1CC1)C(=O)c1ncccc1[O-] ZINC001382970341 967810549 /nfs/dbraw/zinc/81/05/49/967810549.db2.gz SOCOHZMBXWJMTM-LBPRGKRZSA-N -1 1 321.377 0.527 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)N2CCSCC2)n1 ZINC001475482105 1017114374 /nfs/dbraw/zinc/11/43/74/1017114374.db2.gz UREKEEFTJCOKIC-QMMMGPOBSA-N -1 1 313.383 0.801 20 0 DCADMM COC[C@H](CC[N-]S(=O)(=O)c1csnc1OC)OC ZINC001475488447 1017114774 /nfs/dbraw/zinc/11/47/74/1017114774.db2.gz AYQMPDWBVQQXKC-QMMMGPOBSA-N -1 1 310.397 0.482 20 0 DCADMM CCc1n[nH]cc1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001372834316 968438673 /nfs/dbraw/zinc/43/86/73/968438673.db2.gz LSEGEAOBBHRGKC-SECBINFHSA-N -1 1 317.349 0.621 20 0 DCADMM CC1CC(C(=O)NCC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001373146216 968754247 /nfs/dbraw/zinc/75/42/47/968754247.db2.gz GDLCEGHDZOFHSB-CXQJBGSLSA-N -1 1 307.398 0.885 20 0 DCADMM O=C(NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cscn1 ZINC001373157835 968768415 /nfs/dbraw/zinc/76/84/15/968768415.db2.gz MPIHJMVUJQJOSG-SECBINFHSA-N -1 1 322.394 0.609 20 0 DCADMM Cc1nc[nH]c1C(=O)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001373249227 968851311 /nfs/dbraw/zinc/85/13/11/968851311.db2.gz CIIWUQHGKHUJHX-JTQLQIEISA-N -1 1 319.369 0.184 20 0 DCADMM COC[C@@H](C)C(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001430981242 1013845211 /nfs/dbraw/zinc/84/52/11/1013845211.db2.gz 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/nfs/dbraw/zinc/03/78/14/1015037814.db2.gz YXQDFVZKHYXWIL-CMPLNLGQSA-N -1 1 307.350 0.591 20 0 DCADMM C[C@H](CO)[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001599892603 984713410 /nfs/dbraw/zinc/71/34/10/984713410.db2.gz UGHROZIVLGVJJB-RISCZKNCSA-N -1 1 306.362 0.337 20 0 DCADMM C[C@H](CO)N(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001599892603 984713414 /nfs/dbraw/zinc/71/34/14/984713414.db2.gz UGHROZIVLGVJJB-RISCZKNCSA-N -1 1 306.362 0.337 20 0 DCADMM CCOC(=O)c1c(C)[nH]nc1CN[C@H](C(=O)[O-])c1ccnn1C ZINC001596697041 984850521 /nfs/dbraw/zinc/85/05/21/984850521.db2.gz DDRAOAGOWORDBA-LBPRGKRZSA-N -1 1 321.337 0.544 20 0 DCADMM CC[C@H](CNC(=O)CCCC(N)=O)NC(=O)c1ncccc1[O-] ZINC001531275684 1015128795 /nfs/dbraw/zinc/12/87/95/1015128795.db2.gz QAQUZRWMUZTOBD-SNVBAGLBSA-N -1 1 322.365 0.067 20 0 DCADMM COCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001384290962 985492918 /nfs/dbraw/zinc/49/29/18/985492918.db2.gz KENRXUBRDZNMAG-VXGBXAGGSA-N -1 1 321.377 0.981 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc3ncnn32)CCN1CCC(=O)[O-] ZINC001594494936 985631242 /nfs/dbraw/zinc/63/12/42/985631242.db2.gz YGBJFSRVRNFZLD-NSHDSACASA-N -1 1 317.349 0.350 20 0 DCADMM C[C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)CCN1CCC(=O)[O-] ZINC001594496279 985640384 /nfs/dbraw/zinc/64/03/84/985640384.db2.gz LFTGQWOKWNXFLG-SNVBAGLBSA-N -1 1 317.349 0.579 20 0 DCADMM C[C@@H]1CN(C(=O)c2cnn3c2NCCC3)CCN1CCC(=O)[O-] ZINC001594496804 985650818 /nfs/dbraw/zinc/65/08/18/985650818.db2.gz ZUGCRCBFYGELDA-LLVKDONJSA-N -1 1 321.381 0.320 20 0 DCADMM CCOC[C@@H](C(=O)[O-])N(C)Cc1n[nH]c(C)c1C(=O)OCC ZINC001596883973 985762666 /nfs/dbraw/zinc/76/26/66/985762666.db2.gz DOOFXRBQENVIMH-NSHDSACASA-N -1 1 313.354 0.816 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)n1cccn1 ZINC001594512780 985786725 /nfs/dbraw/zinc/78/67/25/985786725.db2.gz BENSSLJQVKLWKI-GFCCVEGCSA-N -1 1 308.382 0.626 20 0 DCADMM CC(=O)c1[nH]c(CC(=O)N[C@@H]2CCN(C)[C@H]2C)c(C(=O)[O-])c1C ZINC001589242290 985827170 /nfs/dbraw/zinc/82/71/70/985827170.db2.gz RWMJOJSOWOMRCI-GXSJLCMTSA-N -1 1 321.377 0.975 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(CO)c1 ZINC001594520156 985971468 /nfs/dbraw/zinc/97/14/68/985971468.db2.gz LXAJEDFOHGGOOU-LBPRGKRZSA-N -1 1 306.362 0.800 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1n[nH]c2c1CCCC2 ZINC001594520438 985976093 /nfs/dbraw/zinc/97/60/93/985976093.db2.gz SADSLEKEBJJLJP-NSHDSACASA-N -1 1 320.393 0.910 20 0 DCADMM CCOCCNC(=S)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001596929842 986023920 /nfs/dbraw/zinc/02/39/20/986023920.db2.gz ZHFLDZJHQBKPSF-LLVKDONJSA-N -1 1 303.428 0.378 20 0 DCADMM C[C@@H]1CN(CCCNC(=O)c2ccc(C(=O)[O-])[nH]2)C[C@H](C)O1 ZINC001594528760 986104874 /nfs/dbraw/zinc/10/48/74/986104874.db2.gz QMXUGJKRTHQDDZ-PHIMTYICSA-N -1 1 309.366 0.942 20 0 DCADMM CCOCC(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385252282 986187804 /nfs/dbraw/zinc/18/78/04/986187804.db2.gz HNHZLNQNXSJUPQ-LLVKDONJSA-N -1 1 307.350 0.497 20 0 DCADMM C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@](O)(C(=O)[O-])C1 ZINC001589340162 986249404 /nfs/dbraw/zinc/24/94/04/986249404.db2.gz XWXJTHKBLRNVNR-MEDUHNTESA-N -1 1 324.352 0.694 20 0 DCADMM C[C@H](C(=O)N1CCN(CC(=O)[O-])CC1)N1CCc2ccccc21 ZINC001589359851 986361440 /nfs/dbraw/zinc/36/14/40/986361440.db2.gz BBIPDPBGPDSZQK-CYBMUJFWSA-N -1 1 317.389 0.666 20 0 DCADMM C[C@H]1CN2CCN1C[C@@H]2C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001594585176 986474328 /nfs/dbraw/zinc/47/43/28/986474328.db2.gz VGQAJVLJQGJBTN-WCBMZHEXSA-N -1 1 310.379 0.097 20 0 DCADMM C[C@@H](C(=O)NC1CC1)N1CCN(CC2(CC(=O)[O-])CC2)CC1 ZINC001589397722 986541363 /nfs/dbraw/zinc/54/13/63/986541363.db2.gz GPRJLBQOFJEBJS-LBPRGKRZSA-N -1 1 309.410 0.526 20 0 DCADMM CN(C(=O)c1ccn(-c2cc(F)cc(F)c2)n1)c1nn[n-]n1 ZINC001532084856 1015261003 /nfs/dbraw/zinc/26/10/03/1015261003.db2.gz DNSOWFROJZCDFA-UHFFFAOYSA-N -1 1 305.248 0.940 20 0 DCADMM C[C@@H](CNC(=O)c1ccncc1F)NC(=O)c1ncccc1[O-] ZINC001386214981 986964118 /nfs/dbraw/zinc/96/41/18/986964118.db2.gz UFODARTVXQNUTL-VIFPVBQESA-N -1 1 318.308 0.870 20 0 DCADMM CCS(=O)(=O)NCCN1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001597225493 987175131 /nfs/dbraw/zinc/17/51/31/987175131.db2.gz UBJKWODFLCYTHC-NOOOWODRSA-N -1 1 320.411 0.021 20 0 DCADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccnn2C(F)F)CC1 ZINC001589628381 987528668 /nfs/dbraw/zinc/52/86/68/987528668.db2.gz HXIPLUMWMZEIEB-UHFFFAOYSA-N -1 1 316.308 0.899 20 0 DCADMM CCc1[nH]c(C(=O)NCc2n[nH]c(=O)n2C)c(C)c1C(=O)[O-] ZINC001597369095 987550540 /nfs/dbraw/zinc/55/05/40/987550540.db2.gz DCUUAGPVKMRULA-UHFFFAOYSA-N -1 1 307.310 0.348 20 0 DCADMM CCN(CCNC(=O)c1cnco1)C(=O)c1ncccc1[O-] ZINC001387261659 987736804 /nfs/dbraw/zinc/73/68/04/987736804.db2.gz FWFIAFIZNFKWAN-UHFFFAOYSA-N -1 1 304.306 0.667 20 0 DCADMM COCC1(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001387775814 988141361 /nfs/dbraw/zinc/14/13/61/988141361.db2.gz ZKRBECIHRAIRRR-UHFFFAOYSA-N -1 1 305.334 0.154 20 0 DCADMM CSCCCNC(=S)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001599800566 988168441 /nfs/dbraw/zinc/16/84/41/988168441.db2.gz XGMGOMAHBYVQLM-SNVBAGLBSA-N -1 1 305.469 0.562 20 0 DCADMM CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001589814146 988243314 /nfs/dbraw/zinc/24/33/14/988243314.db2.gz DGGTWAHLXVAQON-VXGBXAGGSA-N -1 1 323.393 0.265 20 0 DCADMM C[C@@H](CNC(=O)c1cnsn1)CNC(=O)c1ncccc1[O-] ZINC001388404080 988276190 /nfs/dbraw/zinc/27/61/90/988276190.db2.gz IMEBQVIHXHGDQE-QMMMGPOBSA-N -1 1 321.362 0.435 20 0 DCADMM CO[C@H](C(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-])C(C)C ZINC001388432493 988305807 /nfs/dbraw/zinc/30/58/07/988305807.db2.gz IHFBMYLGPLOMNP-FZMZJTMJSA-N -1 1 323.393 0.940 20 0 DCADMM O=C(NCCN(C(=O)c1ncccc1[O-])C1CC1)[C@@H]1CCOC1 ZINC001388615657 988445453 /nfs/dbraw/zinc/44/54/53/988445453.db2.gz UVNLKEFBTULJGM-LLVKDONJSA-N -1 1 319.361 0.545 20 0 DCADMM CSc1n[nH]c(NC(=O)Cn2cccc(C(=O)[O-])c2=O)n1 ZINC001599828978 988641070 /nfs/dbraw/zinc/64/10/70/988641070.db2.gz KIJJIIKSIJBODD-UHFFFAOYSA-N -1 1 309.307 0.025 20 0 DCADMM Cc1ocnc1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001388978059 988709943 /nfs/dbraw/zinc/70/99/43/988709943.db2.gz OTLOPFJKBIQKGK-UHFFFAOYSA-N -1 1 318.333 0.928 20 0 DCADMM CCc1ncc(CNC(=O)COCc2ocnc2C(=O)[O-])[nH]1 ZINC001597668927 988755979 /nfs/dbraw/zinc/75/59/79/988755979.db2.gz MMBIEIUHFCXSAR-UHFFFAOYSA-N -1 1 308.294 0.491 20 0 DCADMM CC(C)(C(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-])C1CC1 ZINC001389081608 988802355 /nfs/dbraw/zinc/80/23/55/988802355.db2.gz HXADWBFOYFCQGN-LLVKDONJSA-N -1 1 321.377 0.430 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCc1cnc(Cl)cn1 ZINC001450897909 1015433555 /nfs/dbraw/zinc/43/35/55/1015433555.db2.gz FVLGLKACCYXSOF-UHFFFAOYSA-N -1 1 321.724 0.277 20 0 DCADMM CCc1nocc1CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001597756671 989175328 /nfs/dbraw/zinc/17/53/28/989175328.db2.gz OTJFFAHBQOMXNN-UHFFFAOYSA-N -1 1 302.352 0.359 20 0 DCADMM C[C@@H]1C[C@H](CO)CCN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001599880078 989472200 /nfs/dbraw/zinc/47/22/00/989472200.db2.gz WBDNXYYRMXTDPK-CHWSQXEVSA-N -1 1 312.410 0.983 20 0 DCADMM C[C@H](C(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)[O-])N(C)C ZINC001599885298 989544430 /nfs/dbraw/zinc/54/44/30/989544430.db2.gz AXAZYBPUXSDEOC-BZNIZROVSA-N -1 1 318.377 0.946 20 0 DCADMM CCn1cc(CCN2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cn1 ZINC001597886005 989727396 /nfs/dbraw/zinc/72/73/96/989727396.db2.gz PJICUOFJKVDIDZ-KGLIPLIRSA-N -1 1 320.393 0.214 20 0 DCADMM CC(C)OCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001390020917 989750618 /nfs/dbraw/zinc/75/06/18/989750618.db2.gz VZFNEJKBTJDBTI-RYUDHWBXSA-N -1 1 319.361 0.638 20 0 DCADMM CCn1ccc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001597904274 989785113 /nfs/dbraw/zinc/78/51/13/989785113.db2.gz GGSXLPPFBZGMKS-OAHLLOKOSA-N -1 1 308.382 0.264 20 0 DCADMM CCn1ncc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c1C1CC1 ZINC001597950502 989946892 /nfs/dbraw/zinc/94/68/92/989946892.db2.gz NCSPGIJHPBEHCZ-GFCCVEGCSA-N -1 1 320.393 0.869 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)c3c(F)ccnc3F)nc2n1 ZINC001527690157 1015523583 /nfs/dbraw/zinc/52/35/83/1015523583.db2.gz AKMSMOBOVBJFEZ-UHFFFAOYSA-N -1 1 306.232 0.652 20 0 DCADMM C[C@H](CNC(=O)C1(c2ccccn2)CC1)NCc1n[nH]c(=O)[n-]1 ZINC001390386429 990047582 /nfs/dbraw/zinc/04/75/82/990047582.db2.gz QFEYJJFOLASMED-SNVBAGLBSA-N -1 1 316.365 0.231 20 0 DCADMM CC(C)c1nocc1C(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001390398627 990057792 /nfs/dbraw/zinc/05/77/92/990057792.db2.gz JHNWTUDJLCABEX-QMMMGPOBSA-N -1 1 308.342 0.530 20 0 DCADMM COc1cccc(CC(=O)NC[C@@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001390521701 990171373 /nfs/dbraw/zinc/17/13/73/990171373.db2.gz NCFZJROXMPIKDJ-SNVBAGLBSA-N -1 1 319.365 0.356 20 0 DCADMM CN(CCNC(=O)[C@@H]1CCCC1(C)C)Cc1nc(=O)n(C)[n-]1 ZINC001390803593 990400302 /nfs/dbraw/zinc/40/03/02/990400302.db2.gz JMTKDKVKDDIWCR-NSHDSACASA-N -1 1 309.414 0.483 20 0 DCADMM CCN(CCNC(=O)c1sccc1C)Cc1nc(=O)n(C)[n-]1 ZINC001390874015 990451763 /nfs/dbraw/zinc/45/17/63/990451763.db2.gz NGOOTJRGCBYVOV-UHFFFAOYSA-N -1 1 323.422 0.730 20 0 DCADMM CCN(CCNC(=O)c1ccccc1C)Cc1nc(=O)n(C)[n-]1 ZINC001390873662 990452944 /nfs/dbraw/zinc/45/29/44/990452944.db2.gz LVTLZCVRDQCBGK-UHFFFAOYSA-N -1 1 317.393 0.669 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)C1=COCCO1 ZINC001391162258 990631487 /nfs/dbraw/zinc/63/14/87/990631487.db2.gz KKVURPOVDZZIEH-SNVBAGLBSA-N -1 1 321.333 0.158 20 0 DCADMM C[C@H](CNC(=O)c1ncc[nH]1)CNC(=O)c1ncccc1[O-] ZINC001391244864 990695579 /nfs/dbraw/zinc/69/55/79/990695579.db2.gz MZFYUADXZKIEPH-VIFPVBQESA-N -1 1 303.322 0.306 20 0 DCADMM O=C([O-])C1(C(=O)N[C@@H]2CCCN(CCO)C2)CC2(CCC2)C1 ZINC001552986093 1015583425 /nfs/dbraw/zinc/58/34/25/1015583425.db2.gz UXWBBBHDYCJYAB-GFCCVEGCSA-N -1 1 310.394 0.594 20 0 DCADMM CN(C)C[C@H]1CCCN1S(=O)(=O)CCCCCC(=O)[O-] ZINC001598207634 990841914 /nfs/dbraw/zinc/84/19/14/990841914.db2.gz HUWQORLYJJSMLZ-GFCCVEGCSA-N -1 1 306.428 0.987 20 0 DCADMM CC(C)CCCC(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001391589892 990988155 /nfs/dbraw/zinc/98/81/55/990988155.db2.gz WJKDWSWIHFWDBZ-GFCCVEGCSA-N -1 1 309.414 0.625 20 0 DCADMM CCCC1(C(=O)N(C)[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC1 ZINC001391625935 991030115 /nfs/dbraw/zinc/03/01/15/991030115.db2.gz WDUQILDNEUYFTC-GFCCVEGCSA-N -1 1 321.425 0.721 20 0 DCADMM CN(C)Cc1ccnc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001598253778 991049049 /nfs/dbraw/zinc/04/90/49/991049049.db2.gz GMMZQLCJJCSCTJ-RYUDHWBXSA-N -1 1 322.365 0.443 20 0 DCADMM CCc1ncsc1C(=O)NC[C@@H](CC)NCc1n[nH]c(=O)[n-]1 ZINC001391696539 991107617 /nfs/dbraw/zinc/10/76/17/991107617.db2.gz XSURVSBIGWRJIZ-MRVPVSSYSA-N -1 1 324.410 0.827 20 0 DCADMM CC[C@@H](CNC(=O)c1cc(C)[nH]c1C)NCc1n[nH]c(=O)[n-]1 ZINC001391726576 991138095 /nfs/dbraw/zinc/13/80/95/991138095.db2.gz PXQBQZFMLQENEG-JTQLQIEISA-N -1 1 306.370 0.753 20 0 DCADMM CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001590996279 991227945 /nfs/dbraw/zinc/22/79/45/991227945.db2.gz APUBBCRTHRTNFC-VIFPVBQESA-N -1 1 322.333 0.925 20 0 DCADMM CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001591035758 991356586 /nfs/dbraw/zinc/35/65/86/991356586.db2.gz HNYHBTBYORBSBM-JTQLQIEISA-N -1 1 320.367 0.694 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1ccccc1O ZINC001392042836 991426975 /nfs/dbraw/zinc/42/69/75/991426975.db2.gz KGYIACKUPMBUMC-SECBINFHSA-N -1 1 305.338 0.466 20 0 DCADMM Cc1ncoc1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001392276505 991686599 /nfs/dbraw/zinc/68/65/99/991686599.db2.gz QOGHRFHCBMEMJR-MRVPVSSYSA-N -1 1 304.306 0.632 20 0 DCADMM C[C@H](CNC(=O)Cc1cnoc1)NC(=O)c1ncccc1[O-] ZINC001392294670 991711011 /nfs/dbraw/zinc/71/10/11/991711011.db2.gz XSKASRHEVLBFCQ-SECBINFHSA-N -1 1 304.306 0.252 20 0 DCADMM Cc1nnccc1C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001392298394 991718165 /nfs/dbraw/zinc/71/81/65/991718165.db2.gz YQRPRWCSRUAZNY-SECBINFHSA-N -1 1 315.333 0.434 20 0 DCADMM COc1ncccc1C[N@@H+](C)CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599737678 991799414 /nfs/dbraw/zinc/79/94/14/991799414.db2.gz SYWUKCGSDOPYEN-QWHCGFSZSA-N -1 1 321.377 0.749 20 0 DCADMM COc1ncccc1CN(C)CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599737678 991799425 /nfs/dbraw/zinc/79/94/25/991799425.db2.gz SYWUKCGSDOPYEN-QWHCGFSZSA-N -1 1 321.377 0.749 20 0 DCADMM CC(C)C[C@H](NC(=O)CN[C@@H]1CCCn2nccc21)C(=O)[O-] ZINC001591169240 991951279 /nfs/dbraw/zinc/95/12/79/991951279.db2.gz GPOYAFLCISQPAG-NEPJUHHUSA-N -1 1 308.382 0.923 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)Cc1cc(C2CC2)no1 ZINC001392484354 991990560 /nfs/dbraw/zinc/99/05/60/991990560.db2.gz SWGKQJMHQDWLPF-MRVPVSSYSA-N -1 1 320.353 0.213 20 0 DCADMM CN(CCC(=O)NCC(=O)[O-])[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001598469435 992001789 /nfs/dbraw/zinc/00/17/89/992001789.db2.gz AISJUZJCLBMXBS-CQSZACIVSA-N -1 1 317.349 0.417 20 0 DCADMM CC(C)CCC[C@H](C)NC(=O)CN1CC[C@@](O)(C(=O)[O-])C1 ZINC001591229545 992113446 /nfs/dbraw/zinc/11/34/46/992113446.db2.gz SABWFOVRLPVPPZ-WFASDCNBSA-N -1 1 300.399 0.839 20 0 DCADMM CN(CCN(C)S(=O)(=O)c1cccnc1C(=O)[O-])C1CC1 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/nfs/dbraw/zinc/28/96/93/417289693.db2.gz BKBNFSSJODJJBZ-UHFFFAOYSA-N -1 1 300.311 0.986 20 0 DCADMM O=C([C@H]1CCc2cncn2C1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000569813418 417295420 /nfs/dbraw/zinc/29/54/20/417295420.db2.gz FOMYGTTVOSOZIV-MNOVXSKESA-N -1 1 317.349 0.940 20 0 DCADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCc2cccnc2)n1 ZINC000621793037 417295600 /nfs/dbraw/zinc/29/56/00/417295600.db2.gz SLDOWMMRNRUUPK-UHFFFAOYSA-N -1 1 309.351 0.565 20 0 DCADMM CS(=O)(=O)c1nnc(NC(=O)CCCc2cccnc2)[n-]1 ZINC000621793037 417295606 /nfs/dbraw/zinc/29/56/06/417295606.db2.gz SLDOWMMRNRUUPK-UHFFFAOYSA-N -1 1 309.351 0.565 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](CO)c1ccccc1 ZINC000433371508 417260047 /nfs/dbraw/zinc/26/00/47/417260047.db2.gz DQWZJSBICDHSBH-VIFPVBQESA-N -1 1 305.290 0.360 20 0 DCADMM O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CN=c1[n-]c(C2CCC2)no1 ZINC000527564761 417263247 /nfs/dbraw/zinc/26/32/47/417263247.db2.gz CKDWEBZKWSNWDH-HBNTYKKESA-N -1 1 304.354 0.844 20 0 DCADMM 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301.350 0.951 20 0 DCADMM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCS(=O)(=O)C2)sn1 ZINC000631716167 417926032 /nfs/dbraw/zinc/92/60/32/417926032.db2.gz JEHDCMNJCBJRMZ-MRVPVSSYSA-N -1 1 310.422 0.165 20 0 DCADMM CCN(CC(=O)N(C)C)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000631739517 417929414 /nfs/dbraw/zinc/92/94/14/417929414.db2.gz UMABZYLTJPKQOZ-UHFFFAOYSA-N -1 1 316.379 0.500 20 0 DCADMM Nc1nc2c(c(N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)n1)CCCC2 ZINC000662885759 417938905 /nfs/dbraw/zinc/93/89/05/417938905.db2.gz MBVDLQIHSXKTED-RFAUZJTJSA-N -1 1 304.350 0.475 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000652770227 417965435 /nfs/dbraw/zinc/96/54/35/417965435.db2.gz YLXWCMAFFWUTNU-SNVBAGLBSA-N -1 1 323.349 0.831 20 0 DCADMM O=C([O-])[C@@H](CF)NC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000663269000 418005158 /nfs/dbraw/zinc/00/51/58/418005158.db2.gz AXHDQEVCJQUUQZ-QWHCGFSZSA-N -1 1 309.341 0.983 20 0 DCADMM CO[C@@H](CS(=O)(=O)[N-]c1cnccc1NC(C)=O)C(C)C ZINC000647273656 418005500 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Cc1cc(C[C@H](C)NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)n[nH]1 ZINC000659654129 418137929 /nfs/dbraw/zinc/13/79/29/418137929.db2.gz XXAIZDYJXALTSF-VIFPVBQESA-N -1 1 322.365 0.136 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CN(C)C(=O)[C@@H]1C ZINC000648645955 418145008 /nfs/dbraw/zinc/14/50/08/418145008.db2.gz VLGKXZWLGNKGKS-JTQLQIEISA-N -1 1 317.349 0.241 20 0 DCADMM O=C(c1cn(C2CCC2)nn1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000648837732 418163848 /nfs/dbraw/zinc/16/38/48/418163848.db2.gz CSMGFDKATVFSII-SECBINFHSA-N -1 1 302.342 0.536 20 0 DCADMM O=C(Cc1cnn2ccccc12)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000648837683 418164210 /nfs/dbraw/zinc/16/42/10/418164210.db2.gz AUBIQZYBPVHGRN-NSHDSACASA-N -1 1 311.349 0.796 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000655224941 418241537 /nfs/dbraw/zinc/24/15/37/418241537.db2.gz XOVVNKIIERELST-ZJUUUORDSA-N -1 1 323.349 0.974 20 0 DCADMM O=S(=O)([N-]C1(CO)CC1)c1ncccc1Br ZINC000659935575 418204528 /nfs/dbraw/zinc/20/45/28/418204528.db2.gz LRDAPZSZTOAKHM-UHFFFAOYSA-N -1 1 307.169 0.647 20 0 DCADMM O=C(N[C@H]1CCS(=O)(=O)C1)c1ncc2ccccc2c1[O-] ZINC000665492286 418213042 /nfs/dbraw/zinc/21/30/42/418213042.db2.gz VAVPULIQQROQMS-JTQLQIEISA-N -1 1 306.343 0.857 20 0 DCADMM CC1(C)CNC(=O)[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000660016599 418218679 /nfs/dbraw/zinc/21/86/79/418218679.db2.gz HPUUKWCMWDBUEM-JTQLQIEISA-N -1 1 304.318 0.768 20 0 DCADMM COC[C@H]1C[C@@H](O)CN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000650367492 418306825 /nfs/dbraw/zinc/30/68/25/418306825.db2.gz HPENYOLBKUWFCW-NXEZZACHSA-N -1 1 303.318 0.145 20 0 DCADMM CCN1C[C@H](CNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1=O ZINC000650368829 418307456 /nfs/dbraw/zinc/30/74/56/418307456.db2.gz UUABNMMKPSJVHG-JTQLQIEISA-N -1 1 314.345 0.521 20 0 DCADMM O=S(=O)([N-]CCCCO)c1ncccc1Br ZINC000656976986 418396060 /nfs/dbraw/zinc/39/60/60/418396060.db2.gz YVSANYFBZBNDFM-UHFFFAOYSA-N -1 1 309.185 0.895 20 0 DCADMM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1=O ZINC000451518923 287467241 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/nfs/dbraw/zinc/80/16/56/597801656.db2.gz MBVFHZLAZBYWTA-OLZOCXBDSA-N -1 1 319.423 0.909 20 0 DCADMM C[C@H](NCC(=O)NCC(=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000820141627 597808889 /nfs/dbraw/zinc/80/88/89/597808889.db2.gz GEFPJMLSOIDINQ-NSHDSACASA-N -1 1 319.361 0.665 20 0 DCADMM NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC(=O)[O-])CC1 ZINC000821345066 598213195 /nfs/dbraw/zinc/21/31/95/598213195.db2.gz HWALYNMMTGSIGQ-ZDUSSCGKSA-N -1 1 311.769 0.569 20 0 DCADMM O=C([O-])CN1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000821532899 598221092 /nfs/dbraw/zinc/22/10/92/598221092.db2.gz WDXSAJXUSNJDAA-CYBMUJFWSA-N -1 1 324.402 0.928 20 0 DCADMM O=S(=O)(NCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344732 598260174 /nfs/dbraw/zinc/26/01/74/598260174.db2.gz HFBGOROPBLHHDW-UHFFFAOYSA-N -1 1 316.346 0.740 20 0 DCADMM O=S(=O)(NCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344732 598260175 /nfs/dbraw/zinc/26/01/75/598260175.db2.gz HFBGOROPBLHHDW-UHFFFAOYSA-N -1 1 316.346 0.740 20 0 DCADMM O=S(=O)(NCC1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344048 598269664 /nfs/dbraw/zinc/26/96/64/598269664.db2.gz UFLDYTAWUDZEJB-UHFFFAOYSA-N -1 1 308.367 0.730 20 0 DCADMM O=S(=O)(NCC1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344048 598269666 /nfs/dbraw/zinc/26/96/66/598269666.db2.gz UFLDYTAWUDZEJB-UHFFFAOYSA-N -1 1 308.367 0.730 20 0 DCADMM c1cnn(CC2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000738448654 598339294 /nfs/dbraw/zinc/33/92/94/598339294.db2.gz PNFHRLGIWITNSO-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1cnn(CC2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000738448654 598339296 /nfs/dbraw/zinc/33/92/96/598339296.db2.gz PNFHRLGIWITNSO-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM CN(Cc1ccccc1)C(=O)CNc1nccnc1-c1nnn[n-]1 ZINC000736827363 598345878 /nfs/dbraw/zinc/34/58/78/598345878.db2.gz BVEDEAFOTOOOEP-UHFFFAOYSA-N -1 1 324.348 0.727 20 0 DCADMM CN(Cc1ccccc1)C(=O)CNc1nccnc1-c1nn[n-]n1 ZINC000736827363 598345880 /nfs/dbraw/zinc/34/58/80/598345880.db2.gz BVEDEAFOTOOOEP-UHFFFAOYSA-N -1 1 324.348 0.727 20 0 DCADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000738388460 598349133 /nfs/dbraw/zinc/34/91/33/598349133.db2.gz SYYORTOWWWIJSN-SNVBAGLBSA-N -1 1 301.285 0.941 20 0 DCADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000738388460 598349134 /nfs/dbraw/zinc/34/91/34/598349134.db2.gz SYYORTOWWWIJSN-SNVBAGLBSA-N -1 1 301.285 0.941 20 0 DCADMM CC(C)[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735702188 598553943 /nfs/dbraw/zinc/55/39/43/598553943.db2.gz OSSIDYIKODUZSH-VIFPVBQESA-N -1 1 310.383 0.927 20 0 DCADMM CC(C)[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735702188 598553944 /nfs/dbraw/zinc/55/39/44/598553944.db2.gz OSSIDYIKODUZSH-VIFPVBQESA-N -1 1 310.383 0.927 20 0 DCADMM CS(=O)(=O)CCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000737163364 598711092 /nfs/dbraw/zinc/71/10/92/598711092.db2.gz UMENBNHWCLKFFI-UHFFFAOYSA-N -1 1 316.364 0.520 20 0 DCADMM CN(CC(F)F)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736788336 598768186 /nfs/dbraw/zinc/76/81/86/598768186.db2.gz JOQUUDHWLBSWCG-UHFFFAOYSA-N -1 1 321.284 0.891 20 0 DCADMM C[C@H](N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000736099308 598813859 /nfs/dbraw/zinc/81/38/59/598813859.db2.gz UQPJXQICUALPHZ-QMMMGPOBSA-N -1 1 321.385 0.135 20 0 DCADMM O=S(=O)(N[C@@H]1CCSC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573056 599368168 /nfs/dbraw/zinc/36/81/68/599368168.db2.gz RFDGRHNAKWZHRG-SSDOTTSWSA-N -1 1 312.380 0.046 20 0 DCADMM O=S(=O)(N[C@@H]1CCSC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573056 599368171 /nfs/dbraw/zinc/36/81/71/599368171.db2.gz RFDGRHNAKWZHRG-SSDOTTSWSA-N -1 1 312.380 0.046 20 0 DCADMM CC(C)CC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735759227 599401651 /nfs/dbraw/zinc/40/16/51/599401651.db2.gz QIOUKIRYIVCPSQ-UHFFFAOYSA-N -1 1 315.381 0.956 20 0 DCADMM CC(C)CC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735759227 599401654 /nfs/dbraw/zinc/40/16/54/599401654.db2.gz QIOUKIRYIVCPSQ-UHFFFAOYSA-N -1 1 315.381 0.956 20 0 DCADMM COc1cc2c(nn1)CCN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC000737056684 599429752 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CS[C@H]1CCCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821956464 607412579 /nfs/dbraw/zinc/41/25/79/607412579.db2.gz PFVGJILBIMMYQV-VIFPVBQESA-N -1 1 322.398 0.202 20 0 DCADMM C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000736586415 600075904 /nfs/dbraw/zinc/07/59/04/600075904.db2.gz NBBLPVVDJMTEQD-NSHDSACASA-N -1 1 306.366 0.146 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)CN1CCC(CCO)CC1)C(=O)[O-] ZINC000736880255 600079890 /nfs/dbraw/zinc/07/98/90/600079890.db2.gz VNFXYYRCGAZDTA-FZMZJTMJSA-N -1 1 300.399 0.696 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)CN1CCCC[C@@H]1[C@H](C)O)C(=O)[O-] ZINC000736875661 600112058 /nfs/dbraw/zinc/11/20/58/600112058.db2.gz GFZZAPHYQZCMLT-FMSGJZPZSA-N -1 1 300.399 0.837 20 0 DCADMM CN1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])cn2)CC1 ZINC000737530916 600107413 /nfs/dbraw/zinc/10/74/13/600107413.db2.gz ZIHAROOTCPFPTO-NWDGAFQWSA-N -1 1 304.350 0.493 20 0 DCADMM CN1CCN(c2cc(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])ccn2)CC1 ZINC000737528584 600110993 /nfs/dbraw/zinc/11/09/93/600110993.db2.gz JHXAQVJWFAPMCS-STQMWFEESA-N -1 1 318.377 0.170 20 0 DCADMM CN1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])nc2)CC1 ZINC000737529003 600112220 /nfs/dbraw/zinc/11/22/20/600112220.db2.gz GYRZEOZWRFIBEZ-NEPJUHHUSA-N -1 1 304.350 0.493 20 0 DCADMM COc1ccccc1N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000205249487 600157620 /nfs/dbraw/zinc/15/76/20/600157620.db2.gz IDBCKRZWALSZIT-UHFFFAOYSA-N -1 1 321.377 0.408 20 0 DCADMM CNC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000737538276 600329959 /nfs/dbraw/zinc/32/99/59/600329959.db2.gz JRTBAVBAHJWQSI-LBPRGKRZSA-N -1 1 319.361 0.781 20 0 DCADMM Cc1[nH]c(C(=O)NC[C@@H](C)N2CCN(C)CC2)c(C)c1C(=O)[O-] ZINC000738153294 600385874 /nfs/dbraw/zinc/38/58/74/600385874.db2.gz AYLYGTNDBVNZJJ-SNVBAGLBSA-N -1 1 322.409 0.695 20 0 DCADMM CCCNC(=O)NC(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000737024309 600514969 /nfs/dbraw/zinc/51/49/69/600514969.db2.gz HGXQULOHMYCAIE-LLVKDONJSA-N -1 1 315.370 0.178 20 0 DCADMM C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000736584272 600564797 /nfs/dbraw/zinc/56/47/97/600564797.db2.gz UOUVXEAANYVBHP-LBPRGKRZSA-N -1 1 312.414 0.129 20 0 DCADMM O=C([O-])[C@H]1CCCN([C@H]2CC(=O)N(c3cccc(O)c3)C2=O)C1 ZINC000738538111 600684758 /nfs/dbraw/zinc/68/47/58/600684758.db2.gz PQABASWFRHMKPU-GWCFXTLKSA-N -1 1 318.329 0.821 20 0 DCADMM Cc1ccc(CC(=O)N2CCN(C[C@@](C)(O)C(=O)[O-])CC2)cc1 ZINC000738584976 600763601 /nfs/dbraw/zinc/76/36/01/600763601.db2.gz OQYRBNFMXYHZNH-QGZVFWFLSA-N -1 1 320.389 0.517 20 0 DCADMM C[C@@H]1C[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCN1C ZINC000157607733 600766457 /nfs/dbraw/zinc/76/64/57/600766457.db2.gz WBVJDJGWQBRUOW-RKDXNWHRSA-N -1 1 301.368 0.474 20 0 DCADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCN1C ZINC000157605980 600766501 /nfs/dbraw/zinc/76/65/01/600766501.db2.gz DELDVPBUJRVPEB-BDAKNGLRSA-N -1 1 302.352 0.739 20 0 DCADMM CCc1cc(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n[nH]1 ZINC000830218601 600784308 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20 0 DCADMM NC(=O)C[C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000833081200 601121452 /nfs/dbraw/zinc/12/14/52/601121452.db2.gz YJDJXHWHSNESRL-LLVKDONJSA-N -1 1 319.361 0.911 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](O)c2cccnc2)CC1 ZINC000827354284 601122024 /nfs/dbraw/zinc/12/20/24/601122024.db2.gz DFCHJVRQZAGIKV-BXUZGUMPSA-N -1 1 307.350 0.122 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CCN2CCCC[C@H]2C1)C(=O)[O-] ZINC000826786398 601170904 /nfs/dbraw/zinc/17/09/04/601170904.db2.gz NHNZXMHRBHVBLZ-KBPBESRZSA-N -1 1 311.426 0.772 20 0 DCADMM C[C@H]1COCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820814898 607494057 /nfs/dbraw/zinc/49/40/57/607494057.db2.gz YYPRCJHDBCMRLO-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM C[C@H]1COCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820814898 607494059 /nfs/dbraw/zinc/49/40/59/607494059.db2.gz YYPRCJHDBCMRLO-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM C[C@@]1(O)CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000828110524 601220425 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KNZMIWPUOZURLJ-UHFFFAOYSA-N -1 1 318.293 0.192 20 0 DCADMM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000834175180 605957336 /nfs/dbraw/zinc/95/73/36/605957336.db2.gz ZLZQRBMJKZEQEY-LPEHRKFASA-N -1 1 308.342 0.342 20 0 DCADMM O=C(C[C@@H]1CSCCN1C(=O)[O-])N[C@@H]1CCc2[nH]cnc2C1 ZINC000833989475 605959397 /nfs/dbraw/zinc/95/93/97/605959397.db2.gz XHIKAYIYMRXCEB-NXEZZACHSA-N -1 1 324.406 0.869 20 0 DCADMM O=C([O-])N(CC(=O)N1CCC[C@H](c2nn[nH]n2)C1)CC1CC1 ZINC000834068643 605965432 /nfs/dbraw/zinc/96/54/32/605965432.db2.gz LXHFZBLGLYEOPV-JTQLQIEISA-N -1 1 308.342 0.296 20 0 DCADMM O=C([O-])N1CC(OCCC(=O)N2CCN(CC3CC3)CC2)C1 ZINC000834071801 606112278 /nfs/dbraw/zinc/11/22/78/606112278.db2.gz BUVDEMAKBZAHIF-UHFFFAOYSA-N -1 1 311.382 0.310 20 0 DCADMM CC[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000820989375 606163522 /nfs/dbraw/zinc/16/35/22/606163522.db2.gz RHMPKRMMWISWOX-RKDXNWHRSA-N -1 1 320.357 0.631 20 0 DCADMM CC[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000820989375 606163524 /nfs/dbraw/zinc/16/35/24/606163524.db2.gz RHMPKRMMWISWOX-RKDXNWHRSA-N -1 1 320.357 0.631 20 0 DCADMM CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821617131 606524597 /nfs/dbraw/zinc/52/45/97/606524597.db2.gz YBEGVDFNJQYVLU-UHFFFAOYSA-N -1 1 303.351 0.934 20 0 DCADMM CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821617131 606524598 /nfs/dbraw/zinc/52/45/98/606524598.db2.gz YBEGVDFNJQYVLU-UHFFFAOYSA-N -1 1 303.351 0.934 20 0 DCADMM CCN(CCC(=O)OC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821206504 606529558 /nfs/dbraw/zinc/52/95/58/606529558.db2.gz BWMAZBFYOHGJIK-UHFFFAOYSA-N -1 1 309.351 0.953 20 0 DCADMM CCN(CCC(=O)OC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821206504 606529559 /nfs/dbraw/zinc/52/95/59/606529559.db2.gz BWMAZBFYOHGJIK-UHFFFAOYSA-N -1 1 309.351 0.953 20 0 DCADMM COC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736912188 606543401 /nfs/dbraw/zinc/54/34/01/606543401.db2.gz ZUYAKNWXUDQFBR-LLVKDONJSA-N -1 1 316.321 0.429 20 0 DCADMM COC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736912188 606543402 /nfs/dbraw/zinc/54/34/02/606543402.db2.gz ZUYAKNWXUDQFBR-LLVKDONJSA-N -1 1 316.321 0.429 20 0 DCADMM O=C(NC[C@H](O)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823166126 606600712 /nfs/dbraw/zinc/60/07/12/606600712.db2.gz FEQPUCJVFHLBNY-LURJTMIESA-N -1 1 307.257 0.581 20 0 DCADMM O=C(NC[C@H](O)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823166126 606600713 /nfs/dbraw/zinc/60/07/13/606600713.db2.gz FEQPUCJVFHLBNY-LURJTMIESA-N -1 1 307.257 0.581 20 0 DCADMM CN(CCOCC1CC1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821603521 606697278 /nfs/dbraw/zinc/69/72/78/606697278.db2.gz BTLBJRMHXSCSMR-UHFFFAOYSA-N -1 1 320.357 0.491 20 0 DCADMM CN(CCOCC1CC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821603521 606697279 /nfs/dbraw/zinc/69/72/79/606697279.db2.gz BTLBJRMHXSCSMR-UHFFFAOYSA-N -1 1 320.357 0.491 20 0 DCADMM O=C(NCc1ccn2ccnc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823261801 606809925 /nfs/dbraw/zinc/80/99/25/606809925.db2.gz UOZJYSCTLKEBGM-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM CC(C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820012076 606819575 /nfs/dbraw/zinc/81/95/75/606819575.db2.gz TXHOUTQNOGLOKW-SNVBAGLBSA-N -1 1 316.369 0.350 20 0 DCADMM CC(C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820012076 606819576 /nfs/dbraw/zinc/81/95/76/606819576.db2.gz TXHOUTQNOGLOKW-SNVBAGLBSA-N -1 1 316.369 0.350 20 0 DCADMM C[C@@H]1[C@H](C)OCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820818694 607004781 /nfs/dbraw/zinc/00/47/81/607004781.db2.gz APLGEDHTBQCNMG-BDAKNGLRSA-N -1 1 324.366 0.060 20 0 DCADMM C[C@@H]1[C@H](C)OCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820818694 607004783 /nfs/dbraw/zinc/00/47/83/607004783.db2.gz APLGEDHTBQCNMG-BDAKNGLRSA-N -1 1 324.366 0.060 20 0 DCADMM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nn[n-]n1 ZINC000820000947 607035962 /nfs/dbraw/zinc/03/59/62/607035962.db2.gz AFABPAWHROVRBR-UHFFFAOYSA-N -1 1 315.297 0.176 20 0 DCADMM Cn1cc(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cn1 ZINC000822679523 607110028 /nfs/dbraw/zinc/11/00/28/607110028.db2.gz FJGJDHAARHZYKI-UHFFFAOYSA-N -1 1 304.339 0.628 20 0 DCADMM Cn1cc(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cn1 ZINC000822679523 607110029 /nfs/dbraw/zinc/11/00/29/607110029.db2.gz FJGJDHAARHZYKI-UHFFFAOYSA-N -1 1 304.339 0.628 20 0 DCADMM Cc1noc(C)c1N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822522065 607138253 /nfs/dbraw/zinc/13/82/53/607138253.db2.gz CVSDZLVHVYLQMC-UHFFFAOYSA-N -1 1 317.313 0.873 20 0 DCADMM Cc1noc(C)c1N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822522065 607138255 /nfs/dbraw/zinc/13/82/55/607138255.db2.gz CVSDZLVHVYLQMC-UHFFFAOYSA-N -1 1 317.313 0.873 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1C1CCCC1 ZINC000823123381 607209949 /nfs/dbraw/zinc/20/99/49/607209949.db2.gz XSXWTISXJKXGDT-NSHDSACASA-N -1 1 316.369 0.639 20 0 DCADMM C[C@@H]1CCC[C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820699442 607210123 /nfs/dbraw/zinc/21/01/23/607210123.db2.gz ZVSVHLUTVYMKTC-NXEZZACHSA-N -1 1 304.358 0.401 20 0 DCADMM CC(C)[C@H]1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820037802 607213997 /nfs/dbraw/zinc/21/39/97/607213997.db2.gz IEIHGAUVVZKNMP-WDEREUQCSA-N -1 1 318.385 0.789 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCc2ccccc21 ZINC000823125997 607214486 /nfs/dbraw/zinc/21/44/86/607214486.db2.gz DYEVATGPTVYDLE-UHFFFAOYSA-N -1 1 324.348 0.828 20 0 DCADMM C[C@H](CCC(C)(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820242246 607217906 /nfs/dbraw/zinc/21/79/06/607217906.db2.gz MEHCALXUKWNYJU-SECBINFHSA-N -1 1 306.374 0.789 20 0 DCADMM C[C@H]1c2ccccc2CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820827907 607220880 /nfs/dbraw/zinc/22/08/80/607220880.db2.gz YRAVUYLXZLXTBC-VIFPVBQESA-N -1 1 310.321 0.562 20 0 DCADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000825132843 607919826 /nfs/dbraw/zinc/91/98/26/607919826.db2.gz DTVFNMVJIRZZDV-NXEZZACHSA-N -1 1 320.357 0.679 20 0 DCADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000825132843 607919827 /nfs/dbraw/zinc/91/98/27/607919827.db2.gz DTVFNMVJIRZZDV-NXEZZACHSA-N -1 1 320.357 0.679 20 0 DCADMM COc1ccc([C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826188681 607989248 /nfs/dbraw/zinc/98/92/48/607989248.db2.gz CYJQXYYHVOZAMB-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccc([C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826188681 607989249 /nfs/dbraw/zinc/98/92/49/607989249.db2.gz CYJQXYYHVOZAMB-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM c1nn(C[C@H]2CCCO2)cc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826526826 607989432 /nfs/dbraw/zinc/98/94/32/607989432.db2.gz NXRUZCLLCQNZEE-SNVBAGLBSA-N -1 1 313.325 0.776 20 0 DCADMM c1nn(C[C@H]2CCCO2)cc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826526826 607989433 /nfs/dbraw/zinc/98/94/33/607989433.db2.gz NXRUZCLLCQNZEE-SNVBAGLBSA-N -1 1 313.325 0.776 20 0 DCADMM CNC(=O)C1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCC1 ZINC000826050952 607997925 /nfs/dbraw/zinc/99/79/25/607997925.db2.gz IRTTUEGALIYFOC-UHFFFAOYSA-N -1 1 316.321 0.427 20 0 DCADMM Cc1n[nH]c(C)c1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826321377 608032130 /nfs/dbraw/zinc/03/21/30/608032130.db2.gz CNBPAXOEWRFYOC-UHFFFAOYSA-N -1 1 302.302 0.584 20 0 DCADMM Cc1n[nH]c(C)c1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826321377 608032131 /nfs/dbraw/zinc/03/21/31/608032131.db2.gz CNBPAXOEWRFYOC-UHFFFAOYSA-N -1 1 302.302 0.584 20 0 DCADMM C[C@H](CN1CCOCC1)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824420055 608142168 /nfs/dbraw/zinc/14/21/68/608142168.db2.gz FLQDTZJLKZPCQK-SNVBAGLBSA-N -1 1 318.337 0.139 20 0 DCADMM C[C@H](CN1CCOCC1)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824420055 608142169 /nfs/dbraw/zinc/14/21/69/608142169.db2.gz FLQDTZJLKZPCQK-SNVBAGLBSA-N -1 1 318.337 0.139 20 0 DCADMM CC(C)N(CC(F)(F)F)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824289110 608147802 /nfs/dbraw/zinc/14/78/02/608147802.db2.gz UFZBKVBJWAWYGT-UHFFFAOYSA-N -1 1 317.275 0.863 20 0 DCADMM CC(C)N(CC(F)(F)F)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824289110 608147803 /nfs/dbraw/zinc/14/78/03/608147803.db2.gz UFZBKVBJWAWYGT-UHFFFAOYSA-N -1 1 317.275 0.863 20 0 DCADMM O=C(NCc1noc(C2CC2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826444241 608157015 /nfs/dbraw/zinc/15/70/15/608157015.db2.gz XMMOITQNCMXPQE-UHFFFAOYSA-N -1 1 312.293 0.452 20 0 DCADMM O=C(NCc1noc(C2CC2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826444241 608157017 /nfs/dbraw/zinc/15/70/17/608157017.db2.gz XMMOITQNCMXPQE-UHFFFAOYSA-N -1 1 312.293 0.452 20 0 DCADMM COC[C@H](O)CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000826152366 608230569 /nfs/dbraw/zinc/23/05/69/608230569.db2.gz XLXUVEQZGMCGMS-SECBINFHSA-N -1 1 315.337 0.619 20 0 DCADMM COC[C@H](O)CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826152366 608230567 /nfs/dbraw/zinc/23/05/67/608230567.db2.gz XLXUVEQZGMCGMS-SECBINFHSA-N -1 1 315.337 0.619 20 0 DCADMM CCC[C@@H]1C(=O)NCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825247753 608257863 /nfs/dbraw/zinc/25/78/63/608257863.db2.gz HEKQMRLLKHIVGV-GFCCVEGCSA-N -1 1 301.354 0.362 20 0 DCADMM c1cnc(N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)nc1 ZINC000826525447 608399118 /nfs/dbraw/zinc/39/91/18/608399118.db2.gz KYNLEKVWIVUKET-UHFFFAOYSA-N -1 1 324.352 0.528 20 0 DCADMM 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C[C@@H](CNC(=O)C1CCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574868201 1163780160 /nfs/dbraw/zinc/78/01/60/1163780160.db2.gz GZSPEWDTWKYXSQ-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)C1CCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574868201 1163780162 /nfs/dbraw/zinc/78/01/62/1163780162.db2.gz GZSPEWDTWKYXSQ-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nccc(N)n1 ZINC001575333146 1163979078 /nfs/dbraw/zinc/97/90/78/1163979078.db2.gz YEJWCPNFCROPNY-LURJTMIESA-N -1 1 316.350 0.791 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nccc(N)n1 ZINC001575333146 1163979084 /nfs/dbraw/zinc/97/90/84/1163979084.db2.gz YEJWCPNFCROPNY-LURJTMIESA-N -1 1 316.350 0.791 20 0 DCADMM CC1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC[S@@]1=O ZINC001575694135 1164107184 /nfs/dbraw/zinc/10/71/84/1164107184.db2.gz UZMOQVXLMODVKH-QFIPXVFZSA-N -1 1 323.378 0.833 20 0 DCADMM CC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC[S@@]1=O ZINC001575694135 1164107190 /nfs/dbraw/zinc/10/71/90/1164107190.db2.gz UZMOQVXLMODVKH-QFIPXVFZSA-N -1 1 323.378 0.833 20 0 DCADMM Cc1n[nH]cc1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001575795247 1164154620 /nfs/dbraw/zinc/15/46/20/1164154620.db2.gz ZCFALJDQDDAYQZ-UHFFFAOYSA-N -1 1 303.322 0.369 20 0 DCADMM CC1CC(C(=O)N(C)CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575943821 1164189330 /nfs/dbraw/zinc/18/93/30/1164189330.db2.gz CCHBIVKPQSBWTC-UHFFFAOYSA-N -1 1 316.369 0.573 20 0 DCADMM CC1CC(C(=O)N(C)CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575943821 1164189336 /nfs/dbraw/zinc/18/93/36/1164189336.db2.gz CCHBIVKPQSBWTC-UHFFFAOYSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001576084053 1164236139 /nfs/dbraw/zinc/23/61/39/1164236139.db2.gz HVWUEFIUWRURNO-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001576084053 1164236148 /nfs/dbraw/zinc/23/61/48/1164236148.db2.gz HVWUEFIUWRURNO-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)Cc2cncnc21 ZINC001576311373 1164299127 /nfs/dbraw/zinc/29/91/27/1164299127.db2.gz DKSREPVEFWHXPH-SECBINFHSA-N -1 1 322.332 0.811 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)Cc2cncnc21 ZINC001576311373 1164299131 /nfs/dbraw/zinc/29/91/31/1164299131.db2.gz DKSREPVEFWHXPH-SECBINFHSA-N -1 1 322.332 0.811 20 0 DCADMM C/C=C(\C)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576399238 1164325122 /nfs/dbraw/zinc/32/51/22/1164325122.db2.gz XSURGFOBTTZZMJ-CYNRKNSPSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(\C)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576399238 1164325127 /nfs/dbraw/zinc/32/51/27/1164325127.db2.gz XSURGFOBTTZZMJ-CYNRKNSPSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(/C)C(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576401357 1164325587 /nfs/dbraw/zinc/32/55/87/1164325587.db2.gz NWSDUMAUIDIOCE-WMZJFQQLSA-N -1 1 316.369 0.565 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576399940 1164325817 /nfs/dbraw/zinc/32/58/17/1164325817.db2.gz CDJSRNFDRLBGIJ-PMXLAWOHSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576399940 1164325825 /nfs/dbraw/zinc/32/58/25/1164325825.db2.gz CDJSRNFDRLBGIJ-PMXLAWOHSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(\C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576401521 1164326039 /nfs/dbraw/zinc/32/60/39/1164326039.db2.gz PIJKDVZVCQVYER-XCVCLJGOSA-N -1 1 314.353 0.272 20 0 DCADMM C/C=C(\C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576401521 1164326044 /nfs/dbraw/zinc/32/60/44/1164326044.db2.gz PIJKDVZVCQVYER-XCVCLJGOSA-N -1 1 314.353 0.272 20 0 DCADMM CCC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001576410536 1164332434 /nfs/dbraw/zinc/33/24/34/1164332434.db2.gz KEMARRILUZQXBQ-NSHDSACASA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001576410536 1164332441 /nfs/dbraw/zinc/33/24/41/1164332441.db2.gz KEMARRILUZQXBQ-NSHDSACASA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576415264 1164334255 /nfs/dbraw/zinc/33/42/55/1164334255.db2.gz OFAVZVXOYIYGPJ-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576415264 1164334265 /nfs/dbraw/zinc/33/42/65/1164334265.db2.gz OFAVZVXOYIYGPJ-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576415414 1164335313 /nfs/dbraw/zinc/33/53/13/1164335313.db2.gz SIXLFNCQNSBLKR-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576415414 1164335318 /nfs/dbraw/zinc/33/53/18/1164335318.db2.gz SIXLFNCQNSBLKR-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CCC[C@@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001576416874 1164335734 /nfs/dbraw/zinc/33/57/34/1164335734.db2.gz UKSRTOXQTSWVQN-MRVPVSSYSA-N -1 1 318.341 0.177 20 0 DCADMM CCC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576417283 1164335779 /nfs/dbraw/zinc/33/57/79/1164335779.db2.gz ZAUANYRWNQITSO-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576416481 1164336502 /nfs/dbraw/zinc/33/65/02/1164336502.db2.gz OZIADDPDPURMID-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576416481 1164336508 /nfs/dbraw/zinc/33/65/08/1164336508.db2.gz OZIADDPDPURMID-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001576444894 1164346966 /nfs/dbraw/zinc/34/69/66/1164346966.db2.gz MRVXRGFAFPDCAN-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NCC1CC(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576472613 1164356262 /nfs/dbraw/zinc/35/62/62/1164356262.db2.gz YVCSTJGNCOZACS-UHFFFAOYSA-N -1 1 316.369 0.682 20 0 DCADMM CCC(=O)NCC1CC(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001576472613 1164356268 /nfs/dbraw/zinc/35/62/68/1164356268.db2.gz YVCSTJGNCOZACS-UHFFFAOYSA-N -1 1 316.369 0.682 20 0 DCADMM CC[C@H](C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576568611 1164396136 /nfs/dbraw/zinc/39/61/36/1164396136.db2.gz PUWYMVFNQLZACA-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576568611 1164396142 /nfs/dbraw/zinc/39/61/42/1164396142.db2.gz PUWYMVFNQLZACA-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001576580731 1164404296 /nfs/dbraw/zinc/40/42/96/1164404296.db2.gz CYPQNCOUYPNEDN-ZJUUUORDSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001576580731 1164404300 /nfs/dbraw/zinc/40/43/00/1164404300.db2.gz CYPQNCOUYPNEDN-ZJUUUORDSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576589636 1164406661 /nfs/dbraw/zinc/40/66/61/1164406661.db2.gz MUSAYKINYPOZDC-VHSXEESVSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576589636 1164406666 /nfs/dbraw/zinc/40/66/66/1164406666.db2.gz MUSAYKINYPOZDC-VHSXEESVSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)[C@@H](O)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001576609734 1164412567 /nfs/dbraw/zinc/41/25/67/1164412567.db2.gz DQJBTHXNJBNLLS-XVKPBYJWSA-N -1 1 320.353 0.413 20 0 DCADMM CC[C@@H](C)CC(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576615595 1164413992 /nfs/dbraw/zinc/41/39/92/1164413992.db2.gz KURPFPGMGRBPOD-SNVBAGLBSA-N -1 1 318.385 0.385 20 0 DCADMM CC[C@H](CNC(=O)C(C)(C)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576766544 1164455157 /nfs/dbraw/zinc/45/51/57/1164455157.db2.gz LHCKHTNXLHBBCU-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](CNC(=O)C(C)(C)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576766544 1164455162 /nfs/dbraw/zinc/45/51/62/1164455162.db2.gz LHCKHTNXLHBBCU-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576951222 1164553141 /nfs/dbraw/zinc/55/31/41/1164553141.db2.gz HCZPZEAATFPUHS-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576951222 1164553146 /nfs/dbraw/zinc/55/31/46/1164553146.db2.gz HCZPZEAATFPUHS-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576957135 1164555458 /nfs/dbraw/zinc/55/54/58/1164555458.db2.gz QLOIGGXQULJVBB-QMMMGPOBSA-N -1 1 320.332 0.466 20 0 DCADMM CC[C@H](F)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576957135 1164555464 /nfs/dbraw/zinc/55/54/64/1164555464.db2.gz QLOIGGXQULJVBB-QMMMGPOBSA-N -1 1 320.332 0.466 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576955465 1164556571 /nfs/dbraw/zinc/55/65/71/1164556571.db2.gz JQGAGVKJQRALKJ-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576955465 1164556582 /nfs/dbraw/zinc/55/65/82/1164556582.db2.gz JQGAGVKJQRALKJ-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CN(CCCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CCCCO1 ZINC001576974869 1164567607 /nfs/dbraw/zinc/56/76/07/1164567607.db2.gz PORAVYWQXVWAMG-ZDUSSCGKSA-N -1 1 321.377 0.935 20 0 DCADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(C)=O)CC1 ZINC001577120562 1164607785 /nfs/dbraw/zinc/60/77/85/1164607785.db2.gz RVVVQVQUMNNFMO-UHFFFAOYSA-N -1 1 316.369 0.282 20 0 DCADMM CCCC(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577188372 1164628387 /nfs/dbraw/zinc/62/83/87/1164628387.db2.gz TUZMWWAJWKUCEG-KOLCDFICSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577188372 1164628391 /nfs/dbraw/zinc/62/83/91/1164628391.db2.gz TUZMWWAJWKUCEG-KOLCDFICSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001577216249 1164638520 /nfs/dbraw/zinc/63/85/20/1164638520.db2.gz QDHINEMMCJDIEN-ARJAWSKDSA-N -1 1 302.342 0.541 20 0 DCADMM CCCC(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001577216249 1164638525 /nfs/dbraw/zinc/63/85/25/1164638525.db2.gz QDHINEMMCJDIEN-ARJAWSKDSA-N -1 1 302.342 0.541 20 0 DCADMM C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)C(=O)c1ncccc1[O-] ZINC001577311054 1164666394 /nfs/dbraw/zinc/66/63/94/1164666394.db2.gz AFPOPBSNHOVGNY-NWDGAFQWSA-N -1 1 321.377 0.791 20 0 DCADMM CCCCC(=O)N[C@@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001577408902 1164686844 /nfs/dbraw/zinc/68/68/44/1164686844.db2.gz ULQWGBKRVAOJEM-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001577408902 1164686848 /nfs/dbraw/zinc/68/68/48/1164686848.db2.gz ULQWGBKRVAOJEM-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCCn1cc(CNC(=O)c2coc(-c3nnn[n-]3)c2)nn1 ZINC001577773195 1164788621 /nfs/dbraw/zinc/78/86/21/1164788621.db2.gz FKZGKNRMZWMTKW-UHFFFAOYSA-N -1 1 302.298 0.391 20 0 DCADMM CCCn1cc(CNC(=O)c2coc(-c3nn[n-]n3)c2)nn1 ZINC001577773195 1164788630 /nfs/dbraw/zinc/78/86/30/1164788630.db2.gz FKZGKNRMZWMTKW-UHFFFAOYSA-N -1 1 302.298 0.391 20 0 DCADMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)C(C)(C)F ZINC001578143761 1164935285 /nfs/dbraw/zinc/93/52/85/1164935285.db2.gz JJIXCBYNGHZMSH-UHFFFAOYSA-N -1 1 322.348 0.665 20 0 DCADMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)C(C)(C)F ZINC001578143761 1164935293 /nfs/dbraw/zinc/93/52/93/1164935293.db2.gz JJIXCBYNGHZMSH-UHFFFAOYSA-N -1 1 322.348 0.665 20 0 DCADMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)[C@H]1C[C@H]1C ZINC001578141142 1164935682 /nfs/dbraw/zinc/93/56/82/1164935682.db2.gz FWKXGJWFBGHEIX-ZJUUUORDSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)[C@H]1C[C@H]1C ZINC001578141142 1164935688 /nfs/dbraw/zinc/93/56/88/1164935688.db2.gz FWKXGJWFBGHEIX-ZJUUUORDSA-N -1 1 316.369 0.573 20 0 DCADMM CCOC(=O)N[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C(C)C ZINC001578247335 1164963472 /nfs/dbraw/zinc/96/34/72/1164963472.db2.gz FXPKDLCKOHWHNJ-MRVPVSSYSA-N -1 1 322.329 0.299 20 0 DCADMM CCOC(=O)N[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C(C)C ZINC001578247335 1164963479 /nfs/dbraw/zinc/96/34/79/1164963479.db2.gz FXPKDLCKOHWHNJ-MRVPVSSYSA-N -1 1 322.329 0.299 20 0 DCADMM CCOCC(C)(C)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001578366173 1164989248 /nfs/dbraw/zinc/98/92/48/1164989248.db2.gz IWFIWWSPEFRBHR-UHFFFAOYSA-N -1 1 320.353 0.821 20 0 DCADMM CCO[C@@H]1COC[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001578383248 1164994334 /nfs/dbraw/zinc/99/43/34/1164994334.db2.gz HZGKTZXJCBSYEU-GHMZBOCLSA-N -1 1 319.325 0.187 20 0 DCADMM CCO[C@@H]1COC[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001578383248 1164994340 /nfs/dbraw/zinc/99/43/40/1164994340.db2.gz HZGKTZXJCBSYEU-GHMZBOCLSA-N -1 1 319.325 0.187 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001578436143 1165015171 /nfs/dbraw/zinc/01/51/71/1165015171.db2.gz DBKZETFZWSFLJT-IVZWLZJFSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001578436143 1165015180 /nfs/dbraw/zinc/01/51/80/1165015180.db2.gz DBKZETFZWSFLJT-IVZWLZJFSA-N -1 1 316.369 0.619 20 0 DCADMM CCc1nc(N[C@H](C)c2n[nH]c(=O)n2C)cc(-c2nn[n-]n2)n1 ZINC001578626034 1165071788 /nfs/dbraw/zinc/07/17/88/1165071788.db2.gz CDBOMDMVFZDQIZ-ZCFIWIBFSA-N -1 1 316.329 0.226 20 0 DCADMM CCc1nc(N[C@H](CNC(C)=O)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001578634485 1165072057 /nfs/dbraw/zinc/07/20/57/1165072057.db2.gz SGUCDXQDQMKHLT-LLVKDONJSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(N[C@H](CNC(C)=O)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001578634485 1165072061 /nfs/dbraw/zinc/07/20/61/1165072061.db2.gz SGUCDXQDQMKHLT-LLVKDONJSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(NC2CC(N(C)C(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001578640693 1165072957 /nfs/dbraw/zinc/07/29/57/1165072957.db2.gz VMZMPSXSUOTOJD-UHFFFAOYSA-N -1 1 316.369 0.640 20 0 DCADMM CCc1nc(NC2CC(N(C)C(C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001578640693 1165072961 /nfs/dbraw/zinc/07/29/61/1165072961.db2.gz VMZMPSXSUOTOJD-UHFFFAOYSA-N -1 1 316.369 0.640 20 0 DCADMM CN(CCNC(=O)c1ccccc1)c1cnc(-c2nnn[n-]2)cn1 ZINC001579198739 1165234054 /nfs/dbraw/zinc/23/40/54/1165234054.db2.gz KKVBCDSQCDMGQS-UHFFFAOYSA-N -1 1 324.348 0.523 20 0 DCADMM CN(CCNC(=O)c1ccccc1)c1cnc(-c2nn[n-]n2)cn1 ZINC001579198739 1165234062 /nfs/dbraw/zinc/23/40/62/1165234062.db2.gz KKVBCDSQCDMGQS-UHFFFAOYSA-N -1 1 324.348 0.523 20 0 DCADMM CN(CCNC(=O)c1ccoc1)c1cnc(-c2nnn[n-]2)cn1 ZINC001579202016 1165236875 /nfs/dbraw/zinc/23/68/75/1165236875.db2.gz YFKIZABZUOFYNA-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN(CCNC(=O)c1ccoc1)c1cnc(-c2nn[n-]n2)cn1 ZINC001579202016 1165236879 /nfs/dbraw/zinc/23/68/79/1165236879.db2.gz YFKIZABZUOFYNA-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN1CC[C@H](Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)C1=O ZINC001579347734 1165281471 /nfs/dbraw/zinc/28/14/71/1165281471.db2.gz LXFKMCRHJDDKKU-LLVKDONJSA-N -1 1 324.348 0.604 20 0 DCADMM CNC(=O)C[C@@H](C)NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001579389124 1165295006 /nfs/dbraw/zinc/29/50/06/1165295006.db2.gz SEXRTPLJTDNJPZ-RXMQYKEDSA-N -1 1 324.370 0.278 20 0 DCADMM CNC(=O)C[C@@H](C)NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001579389124 1165295011 /nfs/dbraw/zinc/29/50/11/1165295011.db2.gz SEXRTPLJTDNJPZ-RXMQYKEDSA-N -1 1 324.370 0.278 20 0 DCADMM CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579401083 1165299387 /nfs/dbraw/zinc/29/93/87/1165299387.db2.gz LKHZHCVBIHLXHR-VIFPVBQESA-N -1 1 321.410 0.822 20 0 DCADMM COC(=O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C[C@@H]1C ZINC001579466690 1165319056 /nfs/dbraw/zinc/31/90/56/1165319056.db2.gz IUSOSAIRVAMXHJ-DTWKUNHWSA-N -1 1 303.326 0.292 20 0 DCADMM COC(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C[C@@H]1C ZINC001579466690 1165319069 /nfs/dbraw/zinc/31/90/69/1165319069.db2.gz IUSOSAIRVAMXHJ-DTWKUNHWSA-N -1 1 303.326 0.292 20 0 DCADMM COC(=O)[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H]1C1CC1 ZINC001579470727 1165323677 /nfs/dbraw/zinc/32/36/77/1165323677.db2.gz ZTJMCHFBBGUAAD-WDEREUQCSA-N -1 1 314.349 0.897 20 0 DCADMM COC(=O)[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H]1C1CC1 ZINC001579470727 1165323679 /nfs/dbraw/zinc/32/36/79/1165323679.db2.gz ZTJMCHFBBGUAAD-WDEREUQCSA-N -1 1 314.349 0.897 20 0 DCADMM COC(=O)c1cc(CNc2ncncc2-c2nn[n-]n2)oc1C ZINC001579478887 1165326353 /nfs/dbraw/zinc/32/63/53/1165326353.db2.gz ZXQFERPYOUADFC-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1cc(Cn2cccc(-c3nn[n-]n3)c2=O)cs1 ZINC001579479886 1165327243 /nfs/dbraw/zinc/32/72/43/1165327243.db2.gz YLSYZFRAAAAPOE-UHFFFAOYSA-N -1 1 317.330 0.925 20 0 DCADMM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCN[C@H](C)C3)cc2=O)n1 ZINC001579587717 1165352938 /nfs/dbraw/zinc/35/29/38/1165352938.db2.gz SAYUBVFSKNBPMP-LLVKDONJSA-N -1 1 316.365 0.006 20 0 DCADMM COCC[C@](C)(O)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579778155 1165393524 /nfs/dbraw/zinc/39/35/24/1165393524.db2.gz YZEILGQZPZCXRM-ZDUSSCGKSA-N -1 1 321.341 0.171 20 0 DCADMM COCC[C@](C)(O)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579778155 1165393532 /nfs/dbraw/zinc/39/35/32/1165393532.db2.gz YZEILGQZPZCXRM-ZDUSSCGKSA-N -1 1 321.341 0.171 20 0 DCADMM COCC[C@@H](C)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001579775669 1165393932 /nfs/dbraw/zinc/39/39/32/1165393932.db2.gz FOCVMJBNXUBNIY-MRVPVSSYSA-N -1 1 320.353 0.678 20 0 DCADMM COC[C@H]1C[C@@H](NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001579823919 1165403973 /nfs/dbraw/zinc/40/39/73/1165403973.db2.gz SQFSPYGZLJHEKO-DTORHVGOSA-N -1 1 318.337 0.431 20 0 DCADMM COc1ncc(NC(=O)c2n[nH]cc2F)cc1-c1nn[n-]n1 ZINC001580139642 1165515812 /nfs/dbraw/zinc/51/58/12/1165515812.db2.gz IGLDWXCNMCSVHE-UHFFFAOYSA-N -1 1 304.245 0.385 20 0 DCADMM C[S@](=O)[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001580171898 1165526509 /nfs/dbraw/zinc/52/65/09/1165526509.db2.gz BEDUFLUDRWTLPJ-BNMUBRSASA-N -1 1 320.378 0.291 20 0 DCADMM C[S@](=O)[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001580171898 1165526515 /nfs/dbraw/zinc/52/65/15/1165526515.db2.gz BEDUFLUDRWTLPJ-BNMUBRSASA-N -1 1 320.378 0.291 20 0 DCADMM CS[C@@H](C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001580175712 1165527868 /nfs/dbraw/zinc/52/78/68/1165527868.db2.gz PINDQFDVUAHRDX-QMMMGPOBSA-N -1 1 322.398 0.279 20 0 DCADMM CS[C@@H](C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001580175712 1165527872 /nfs/dbraw/zinc/52/78/72/1165527872.db2.gz PINDQFDVUAHRDX-QMMMGPOBSA-N -1 1 322.398 0.279 20 0 DCADMM CS[C@@H](C)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001580189763 1165531119 /nfs/dbraw/zinc/53/11/19/1165531119.db2.gz MCUYBZFZBSODEX-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001580189763 1165531125 /nfs/dbraw/zinc/53/11/25/1165531125.db2.gz MCUYBZFZBSODEX-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001580368347 1165586467 /nfs/dbraw/zinc/58/64/67/1165586467.db2.gz VFALVEDNPYJFFP-KXUCPTDWSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001580368347 1165586474 /nfs/dbraw/zinc/58/64/74/1165586474.db2.gz VFALVEDNPYJFFP-KXUCPTDWSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc[nH]c1 ZINC001580415392 1165597664 /nfs/dbraw/zinc/59/76/64/1165597664.db2.gz FFRRPHKBUWYNRH-MRVPVSSYSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc[nH]c1 ZINC001580415392 1165597669 /nfs/dbraw/zinc/59/76/69/1165597669.db2.gz FFRRPHKBUWYNRH-MRVPVSSYSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001580450162 1165604729 /nfs/dbraw/zinc/60/47/29/1165604729.db2.gz ZCZIOJUXNWEMSN-AEJSXWLSSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001580450162 1165604732 /nfs/dbraw/zinc/60/47/32/1165604732.db2.gz ZCZIOJUXNWEMSN-AEJSXWLSSA-N -1 1 314.353 0.326 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H](C)C[C@H](C)O ZINC001580604322 1165652502 /nfs/dbraw/zinc/65/25/02/1165652502.db2.gz QIADICLENQHEOF-APPZFPTMSA-N -1 1 320.353 0.413 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H](C)CNC(=O)C2CC2)n1 ZINC001580630072 1165666972 /nfs/dbraw/zinc/66/69/72/1165666972.db2.gz NIQQEKZJNSTLSI-VIFPVBQESA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H](C)CNC(=O)C2CC2)n1 ZINC001580630072 1165666978 /nfs/dbraw/zinc/66/69/78/1165666978.db2.gz NIQQEKZJNSTLSI-VIFPVBQESA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)C(C)C)C2)n1 ZINC001580655798 1165677144 /nfs/dbraw/zinc/67/71/44/1165677144.db2.gz DSAUDVJQLGJHSE-SNVBAGLBSA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)C(C)C)C2)n1 ZINC001580655798 1165677149 /nfs/dbraw/zinc/67/71/49/1165677149.db2.gz DSAUDVJQLGJHSE-SNVBAGLBSA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CCNC(=O)C2CC2)n1 ZINC001580753451 1165710807 /nfs/dbraw/zinc/71/08/07/1165710807.db2.gz LWCKGENBAMCQDP-QMMMGPOBSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CCNC(=O)C2CC2)n1 ZINC001580753451 1165710813 /nfs/dbraw/zinc/71/08/13/1165710813.db2.gz LWCKGENBAMCQDP-QMMMGPOBSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)n(C)n1 ZINC001580984270 1165770786 /nfs/dbraw/zinc/77/07/86/1165770786.db2.gz WNCGZGYQEGGADF-UHFFFAOYSA-N -1 1 314.309 0.570 20 0 DCADMM Cc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC001581198951 1165794838 /nfs/dbraw/zinc/79/48/38/1165794838.db2.gz BVDZRFKXZTVRCT-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC001581198951 1165794847 /nfs/dbraw/zinc/79/48/47/1165794847.db2.gz BVDZRFKXZTVRCT-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1nc([C@H](C)NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)no1 ZINC001581437631 1165826363 /nfs/dbraw/zinc/82/63/63/1165826363.db2.gz IMAIDRVKAWRBLT-LURJTMIESA-N -1 1 315.297 0.836 20 0 DCADMM Cc1nc([C@H](C)NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)no1 ZINC001581437631 1165826368 /nfs/dbraw/zinc/82/63/68/1165826368.db2.gz IMAIDRVKAWRBLT-LURJTMIESA-N -1 1 315.297 0.836 20 0 DCADMM Cc1[nH]nc(NC(=O)CCc2ccnc(C)n2)c1-c1nn[n-]n1 ZINC001581556249 1165842813 /nfs/dbraw/zinc/84/28/13/1165842813.db2.gz HQERXHIQPPEUGN-UHFFFAOYSA-N -1 1 313.325 0.568 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cc3cccn3cn2)c1-c1nnn[n-]1 ZINC001581593695 1165847790 /nfs/dbraw/zinc/84/77/90/1165847790.db2.gz ORLUBMSYHJRWCO-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cc3cccn3cn2)c1-c1nn[n-]n1 ZINC001581593695 1165847793 /nfs/dbraw/zinc/84/77/93/1165847793.db2.gz ORLUBMSYHJRWCO-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1noc(C2(NC(=O)c3ccc(-c4nnn[n-]4)o3)CC2)n1 ZINC001581633179 1165854335 /nfs/dbraw/zinc/85/43/35/1165854335.db2.gz NWTLRENYKORTGT-UHFFFAOYSA-N -1 1 301.266 0.570 20 0 DCADMM Cc1noc(C2(NC(=O)c3ccc(-c4nn[n-]n4)o3)CC2)n1 ZINC001581633179 1165854340 /nfs/dbraw/zinc/85/43/40/1165854340.db2.gz NWTLRENYKORTGT-UHFFFAOYSA-N -1 1 301.266 0.570 20 0 DCADMM Cc1noc(CCC(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001581635162 1165854927 /nfs/dbraw/zinc/85/49/27/1165854927.db2.gz GNTRWNDRZIORHT-UHFFFAOYSA-N -1 1 320.338 0.264 20 0 DCADMM Cc1noc(CCC(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001581635162 1165854936 /nfs/dbraw/zinc/85/49/36/1165854936.db2.gz GNTRWNDRZIORHT-UHFFFAOYSA-N -1 1 320.338 0.264 20 0 DCADMM Cc1nsc(C)c1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001581657962 1165856226 /nfs/dbraw/zinc/85/62/26/1165856226.db2.gz PIZCPYYNWUPGKG-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nsc(C)c1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001581657962 1165856230 /nfs/dbraw/zinc/85/62/30/1165856230.db2.gz PIZCPYYNWUPGKG-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nsc(N2CC[C@H]3COC(=O)N[C@@H]3C2)c1-c1nn[n-]n1 ZINC001581680935 1165857917 /nfs/dbraw/zinc/85/79/17/1165857917.db2.gz CNJBVQRVLLCPPY-JGVFFNPUSA-N -1 1 321.366 0.566 20 0 DCADMM Cc1nsc(NC(=O)CO[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC001581686078 1165859558 /nfs/dbraw/zinc/85/95/58/1165859558.db2.gz YBCIANYXPMWODP-SSDOTTSWSA-N -1 1 310.339 0.376 20 0 DCADMM Cc1nsc(NC(=O)CO[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC001581686078 1165859569 /nfs/dbraw/zinc/85/95/69/1165859569.db2.gz YBCIANYXPMWODP-SSDOTTSWSA-N -1 1 310.339 0.376 20 0 DCADMM Cc1nsc(NC(=O)CO[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC001581686079 1165860221 /nfs/dbraw/zinc/86/02/21/1165860221.db2.gz YBCIANYXPMWODP-ZETCQYMHSA-N -1 1 310.339 0.376 20 0 DCADMM Cc1nsc(NC(=O)CO[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001581686079 1165860227 /nfs/dbraw/zinc/86/02/27/1165860227.db2.gz YBCIANYXPMWODP-ZETCQYMHSA-N -1 1 310.339 0.376 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC(=O)c1cncs1 ZINC001581727262 1165862134 /nfs/dbraw/zinc/86/21/34/1165862134.db2.gz PQUXSUHQSAXJGF-UHFFFAOYSA-N -1 1 318.318 0.837 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC(=O)c1cncs1 ZINC001581727262 1165862138 /nfs/dbraw/zinc/86/21/38/1165862138.db2.gz PQUXSUHQSAXJGF-UHFFFAOYSA-N -1 1 318.318 0.837 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)c1-c1nnn[n-]1 ZINC001581738878 1165865600 /nfs/dbraw/zinc/86/56/00/1165865600.db2.gz FOCJTDKZOUANFR-WEDXCCLWSA-N -1 1 320.353 0.635 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)c1-c1nn[n-]n1 ZINC001581738878 1165865603 /nfs/dbraw/zinc/86/56/03/1165865603.db2.gz FOCJTDKZOUANFR-WEDXCCLWSA-N -1 1 320.353 0.635 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C(F)F)ncn2)n1 ZINC001581754673 1165869756 /nfs/dbraw/zinc/86/97/56/1165869756.db2.gz GSLAWXNXJOIZAP-UHFFFAOYSA-N -1 1 321.251 0.580 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C(F)F)ncn2)n1 ZINC001581754673 1165869762 /nfs/dbraw/zinc/86/97/62/1165869762.db2.gz GSLAWXNXJOIZAP-UHFFFAOYSA-N -1 1 321.251 0.580 20 0 DCADMM Cn1cc([C@@H](CO)NC(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001581765078 1165871738 /nfs/dbraw/zinc/87/17/38/1165871738.db2.gz WHOJGGGRCIFQFE-SECBINFHSA-N -1 1 319.350 0.125 20 0 DCADMM Cn1cnc(CCNC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001581808282 1165880017 /nfs/dbraw/zinc/88/00/17/1165880017.db2.gz UQSNMXLKKVJDTA-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM NC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001581899196 1165905739 /nfs/dbraw/zinc/90/57/39/1165905739.db2.gz HEYLWNCJPJZMSS-SFYZADRCSA-N -1 1 301.310 0.102 20 0 DCADMM NC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001581899196 1165905747 /nfs/dbraw/zinc/90/57/47/1165905747.db2.gz HEYLWNCJPJZMSS-SFYZADRCSA-N -1 1 301.310 0.102 20 0 DCADMM NC(=O)CC1CC(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001581890988 1165907069 /nfs/dbraw/zinc/90/70/69/1165907069.db2.gz DSRQKMYTLXBGTK-UHFFFAOYSA-N -1 1 314.353 0.600 20 0 DCADMM NC(=O)CC1CC(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001581890988 1165907077 /nfs/dbraw/zinc/90/70/77/1165907077.db2.gz DSRQKMYTLXBGTK-UHFFFAOYSA-N -1 1 314.353 0.600 20 0 DCADMM Nc1n[nH]c2c1CN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)CC2 ZINC001581910031 1165911085 /nfs/dbraw/zinc/91/10/85/1165911085.db2.gz GDZCAASXJYJHDO-UHFFFAOYSA-N -1 1 324.352 0.402 20 0 DCADMM Nc1n[nH]c2c1CN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)CC2 ZINC001581910031 1165911095 /nfs/dbraw/zinc/91/10/95/1165911095.db2.gz GDZCAASXJYJHDO-UHFFFAOYSA-N -1 1 324.352 0.402 20 0 DCADMM Nc1n[nH]c2c1CN(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC001581909962 1165911468 /nfs/dbraw/zinc/91/14/68/1165911468.db2.gz CMNDXBMGFFUGRF-UHFFFAOYSA-N -1 1 323.773 0.845 20 0 DCADMM Nc1n[nH]c2c1CN(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC001581909962 1165911475 /nfs/dbraw/zinc/91/14/75/1165911475.db2.gz CMNDXBMGFFUGRF-UHFFFAOYSA-N -1 1 323.773 0.845 20 0 DCADMM O=C(C1CC1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001581923157 1165914367 /nfs/dbraw/zinc/91/43/67/1165914367.db2.gz OQIOSAUEXGYDGJ-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001581923157 1165914374 /nfs/dbraw/zinc/91/43/74/1165914374.db2.gz OQIOSAUEXGYDGJ-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001581923180 1165915156 /nfs/dbraw/zinc/91/51/56/1165915156.db2.gz XZWQENKWUIJIPS-VIFPVBQESA-N -1 1 314.353 0.327 20 0 DCADMM O=C(C1CC1)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001581923180 1165915167 /nfs/dbraw/zinc/91/51/67/1165915167.db2.gz XZWQENKWUIJIPS-VIFPVBQESA-N -1 1 314.353 0.327 20 0 DCADMM O=C(C1CCC1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001581933743 1165917180 /nfs/dbraw/zinc/91/71/80/1165917180.db2.gz HBCWQIQSLXDCRN-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C1CCC1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001581933743 1165917186 /nfs/dbraw/zinc/91/71/86/1165917186.db2.gz HBCWQIQSLXDCRN-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(CCCOc1cccnc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582046859 1165944156 /nfs/dbraw/zinc/94/41/56/1165944156.db2.gz CNSNLDWHLARBFA-UHFFFAOYSA-N -1 1 314.309 0.783 20 0 DCADMM O=C(CCCF)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001582045065 1165944317 /nfs/dbraw/zinc/94/43/17/1165944317.db2.gz KPLRWOIZHGBDNT-VIFPVBQESA-N -1 1 320.332 0.101 20 0 DCADMM O=C(CCCF)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001582045065 1165944323 /nfs/dbraw/zinc/94/43/23/1165944323.db2.gz KPLRWOIZHGBDNT-VIFPVBQESA-N -1 1 320.332 0.101 20 0 DCADMM O=C(Cc1ncc[nH]1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582183688 1165979215 /nfs/dbraw/zinc/97/92/15/1165979215.db2.gz BZAJFSSBLSZRMR-UHFFFAOYSA-N -1 1 319.275 0.727 20 0 DCADMM O=C(Cc1ncc[nH]1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582183688 1165979222 /nfs/dbraw/zinc/97/92/22/1165979222.db2.gz BZAJFSSBLSZRMR-UHFFFAOYSA-N -1 1 319.275 0.727 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001582198042 1165981991 /nfs/dbraw/zinc/98/19/91/1165981991.db2.gz KGTQMFSKZZWGFQ-CMPLNLGQSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001582230417 1165986618 /nfs/dbraw/zinc/98/66/18/1165986618.db2.gz DLQYIHDCUGETSH-GFCCVEGCSA-N -1 1 313.317 0.793 20 0 DCADMM O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001582230417 1165986623 /nfs/dbraw/zinc/98/66/23/1165986623.db2.gz DLQYIHDCUGETSH-GFCCVEGCSA-N -1 1 313.317 0.793 20 0 DCADMM O=C(N[C@@H](CO)[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001582230663 1165986907 /nfs/dbraw/zinc/98/69/07/1165986907.db2.gz JFLHJPDYGGXJAY-BDAKNGLRSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(N[C@@H](CO)[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001582230663 1165986911 /nfs/dbraw/zinc/98/69/11/1165986911.db2.gz JFLHJPDYGGXJAY-BDAKNGLRSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(NC1(c2ccccc2)COC1)c1cccc(-c2nnn[n-]2)n1 ZINC001582244903 1165990570 /nfs/dbraw/zinc/99/05/70/1165990570.db2.gz MBFNTITVMNHFMQ-UHFFFAOYSA-N -1 1 322.328 0.917 20 0 DCADMM O=C(NC1(c2ccccc2)COC1)c1cccc(-c2nn[n-]n2)n1 ZINC001582244903 1165990576 /nfs/dbraw/zinc/99/05/76/1165990576.db2.gz MBFNTITVMNHFMQ-UHFFFAOYSA-N -1 1 322.328 0.917 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1=C[S@@](=O)CCC1 ZINC001582555069 1166041527 /nfs/dbraw/zinc/04/15/27/1166041527.db2.gz RFRAHQLPDYJHFK-QFIPXVFZSA-N -1 1 318.362 0.304 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1=C[S@@](=O)CCC1 ZINC001582555069 1166041532 /nfs/dbraw/zinc/04/15/32/1166041532.db2.gz RFRAHQLPDYJHFK-QFIPXVFZSA-N -1 1 318.362 0.304 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001582558561 1166043698 /nfs/dbraw/zinc/04/36/98/1166043698.db2.gz DKMNHBHGBVNCKD-BHNWBGBOSA-N -1 1 306.351 0.507 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001582558561 1166043704 /nfs/dbraw/zinc/04/37/04/1166043704.db2.gz DKMNHBHGBVNCKD-BHNWBGBOSA-N -1 1 306.351 0.507 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1c[nH]nc1[C@@H]1CCCO1 ZINC001582631709 1166055928 /nfs/dbraw/zinc/05/59/28/1166055928.db2.gz MVVPBJDBNBPCIJ-QMMMGPOBSA-N -1 1 315.297 0.417 20 0 DCADMM O=C(N=c1cc[nH]cc1-c1nn[nH]n1)c1cccc(F)c1[O-] ZINC001582649800 1166060371 /nfs/dbraw/zinc/06/03/71/1166060371.db2.gz HWIVCEWPOPHANS-UHFFFAOYSA-N -1 1 300.253 0.781 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](c2ncccn2)C1 ZINC001582701738 1166068799 /nfs/dbraw/zinc/06/87/99/1166068799.db2.gz XOVSZALLRDMZRU-NSHDSACASA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](c2ncccn2)C1 ZINC001582701738 1166068805 /nfs/dbraw/zinc/06/88/05/1166068805.db2.gz XOVSZALLRDMZRU-NSHDSACASA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H](c2ncon2)C1 ZINC001582701664 1166069054 /nfs/dbraw/zinc/06/90/54/1166069054.db2.gz URBSBYCBSHJUAL-MRVPVSSYSA-N -1 1 315.293 0.863 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H](c2ncon2)C1 ZINC001582701664 1166069058 /nfs/dbraw/zinc/06/90/58/1166069058.db2.gz URBSBYCBSHJUAL-MRVPVSSYSA-N -1 1 315.293 0.863 20 0 DCADMM O=C1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1c1ccccc1 ZINC001582755765 1166076235 /nfs/dbraw/zinc/07/62/35/1166076235.db2.gz FNEBXQCRXRXGPE-LLVKDONJSA-N -1 1 322.332 0.874 20 0 DCADMM O=C1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1c1ccccc1 ZINC001582755765 1166076240 /nfs/dbraw/zinc/07/62/40/1166076240.db2.gz FNEBXQCRXRXGPE-LLVKDONJSA-N -1 1 322.332 0.874 20 0 DCADMM O=C1CCCN1c1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001582768560 1166078491 /nfs/dbraw/zinc/07/84/91/1166078491.db2.gz ZDWQYULHFHMGDL-UHFFFAOYSA-N -1 1 322.332 0.949 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)Cc1ccc(F)cc1 ZINC001582809445 1166087529 /nfs/dbraw/zinc/08/75/29/1166087529.db2.gz KEDGIQRAPJSGAT-CYBMUJFWSA-N -1 1 314.324 0.838 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)Cc1ccc(F)cc1 ZINC001582809445 1166087533 /nfs/dbraw/zinc/08/75/33/1166087533.db2.gz KEDGIQRAPJSGAT-CYBMUJFWSA-N -1 1 314.324 0.838 20 0 DCADMM O[C@H](CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001582814440 1166094889 /nfs/dbraw/zinc/09/48/89/1166094889.db2.gz KYUYXQDZJWORSU-SNVBAGLBSA-N -1 1 317.740 0.878 20 0 DCADMM c1ccc(-c2n[nH]c(CNc3nccnc3-c3nnn[n-]3)n2)nc1 ZINC001582817633 1166096818 /nfs/dbraw/zinc/09/68/18/1166096818.db2.gz QNOUYOJWWYVUCU-UHFFFAOYSA-N -1 1 321.308 0.449 20 0 DCADMM c1ccc(-c2n[nH]c(CNc3nccnc3-c3nn[n-]n3)n2)nc1 ZINC001582817633 1166096822 /nfs/dbraw/zinc/09/68/22/1166096822.db2.gz QNOUYOJWWYVUCU-UHFFFAOYSA-N -1 1 321.308 0.449 20 0 DCADMM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCc3nn[nH]n3)n2)c1 ZINC001584968563 1166391295 /nfs/dbraw/zinc/39/12/95/1166391295.db2.gz VYEOXVGZBKMECV-UHFFFAOYSA-N -1 1 317.284 0.469 20 0 DCADMM O=C(c1cnc2cnccc2c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001586804398 1166499538 /nfs/dbraw/zinc/49/95/38/1166499538.db2.gz FGSZQICOSLRYAN-GFCCVEGCSA-N -1 1 311.305 0.357 20 0 DCADMM C=CC(=O)NCCC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001588466748 1166556783 /nfs/dbraw/zinc/55/67/83/1166556783.db2.gz LXYOGHPUBUIHDD-UHFFFAOYSA-N -1 1 316.325 0.098 20 0 DCADMM CC(=CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1cnccn1 ZINC001588766821 1166587267 /nfs/dbraw/zinc/58/72/67/1166587267.db2.gz WHFGIDATUPBNLC-POHAHGRESA-N -1 1 322.332 0.771 20 0 DCADMM CC(=CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1cnccn1 ZINC001588766821 1166587273 /nfs/dbraw/zinc/58/72/73/1166587273.db2.gz WHFGIDATUPBNLC-POHAHGRESA-N -1 1 322.332 0.771 20 0 DCADMM CC(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588796933 1166590460 /nfs/dbraw/zinc/59/04/60/1166590460.db2.gz METUIHYJPYBJEW-UHFFFAOYSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001588811555 1166593935 /nfs/dbraw/zinc/59/39/35/1166593935.db2.gz CAZKBCQQMBNLPB-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588811555 1166593937 /nfs/dbraw/zinc/59/39/37/1166593937.db2.gz CAZKBCQQMBNLPB-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001588811556 1166594610 /nfs/dbraw/zinc/59/46/10/1166594610.db2.gz CAZKBCQQMBNLPB-WCBMZHEXSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588811556 1166594614 /nfs/dbraw/zinc/59/46/14/1166594614.db2.gz CAZKBCQQMBNLPB-WCBMZHEXSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N[C@H](C)CCCCNc1nccnc1-c1nnn[n-]1 ZINC001588836004 1166603415 /nfs/dbraw/zinc/60/34/15/1166603415.db2.gz XYGVGPXTYWZRFG-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CC(=O)N[C@H](C)CCCCNc1nccnc1-c1nn[n-]n1 ZINC001588836004 1166603418 /nfs/dbraw/zinc/60/34/18/1166603418.db2.gz XYGVGPXTYWZRFG-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CC(=O)N[C@@H](CCC(C)C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001588837702 1166603571 /nfs/dbraw/zinc/60/35/71/1166603571.db2.gz GCVFIZZJXFXAJX-JTQLQIEISA-N -1 1 320.357 0.227 20 0 DCADMM CC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588841217 1166604982 /nfs/dbraw/zinc/60/49/82/1166604982.db2.gz IQLOWAYZVDEJQX-NSHDSACASA-N -1 1 316.369 0.460 20 0 DCADMM CC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588841217 1166604986 /nfs/dbraw/zinc/60/49/86/1166604986.db2.gz IQLOWAYZVDEJQX-NSHDSACASA-N -1 1 316.369 0.460 20 0 DCADMM CC(=O)N[C@H]1CC[C@@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588840169 1166605079 /nfs/dbraw/zinc/60/50/79/1166605079.db2.gz OUBILOAOMGDCJJ-SCZZXKLOSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001588841906 1166606664 /nfs/dbraw/zinc/60/66/64/1166606664.db2.gz RDLKGLVGQJYRKQ-VIFPVBQESA-N -1 1 302.342 0.008 20 0 DCADMM CC(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001588841906 1166606670 /nfs/dbraw/zinc/60/66/70/1166606670.db2.gz RDLKGLVGQJYRKQ-VIFPVBQESA-N -1 1 302.342 0.008 20 0 DCADMM CC(=O)NC[C@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001588855760 1166608310 /nfs/dbraw/zinc/60/83/10/1166608310.db2.gz ZPVJUGOJNBODAN-SNVBAGLBSA-N -1 1 302.342 0.009 20 0 DCADMM CC(=O)OC(C)(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588887138 1166614094 /nfs/dbraw/zinc/61/40/94/1166614094.db2.gz SORWAMWWCHJXQA-UHFFFAOYSA-N -1 1 310.339 0.281 20 0 DCADMM CC(=O)OC(C)(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001588887138 1166614099 /nfs/dbraw/zinc/61/40/99/1166614099.db2.gz SORWAMWWCHJXQA-UHFFFAOYSA-N -1 1 310.339 0.281 20 0 DCADMM CC(=O)Nc1ccncc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001588883649 1166614480 /nfs/dbraw/zinc/61/44/80/1166614480.db2.gz QAKHXIWZDNQQFY-UHFFFAOYSA-N -1 1 324.304 0.289 20 0 DCADMM CC(=O)Nc1ccncc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001588883649 1166614482 /nfs/dbraw/zinc/61/44/82/1166614482.db2.gz QAKHXIWZDNQQFY-UHFFFAOYSA-N -1 1 324.304 0.289 20 0 DCADMM C[C@@H](C(=O)NC1(c2ccccc2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970172 1166623279 /nfs/dbraw/zinc/62/32/79/1166623279.db2.gz BMWMQHMWICZFGF-JTQLQIEISA-N -1 1 324.348 0.825 20 0 DCADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCC(=O)N1 ZINC001589011735 1166627188 /nfs/dbraw/zinc/62/71/88/1166627188.db2.gz KMLWCSXRBOXTSN-IONNQARKSA-N -1 1 316.321 0.426 20 0 DCADMM C[C@@H](C(=O)NCc1cccc(F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588997378 1166627449 /nfs/dbraw/zinc/62/74/49/1166627449.db2.gz CWACUZPPVPFIRC-QMMMGPOBSA-N -1 1 316.300 0.475 20 0 DCADMM C[C@H](C(=O)[N-]OCCC(F)(F)F)n1cnc(-c2nn[nH]n2)n1 ZINC001589003428 1166627681 /nfs/dbraw/zinc/62/76/81/1166627681.db2.gz XRAPSFZKCGCVAS-RXMQYKEDSA-N -1 1 320.235 0.019 20 0 DCADMM C[C@@H](C(=O)OCc1cccnc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029489 1166630306 /nfs/dbraw/zinc/63/03/06/1166630306.db2.gz BWHJFYLMUJYNHM-QMMMGPOBSA-N -1 1 300.282 0.158 20 0 DCADMM C[C@H](C(=O)OCC(=O)c1ccoc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028227 1166630533 /nfs/dbraw/zinc/63/05/33/1166630533.db2.gz UREKLWPJITVQIJ-SSDOTTSWSA-N -1 1 317.265 0.038 20 0 DCADMM CC(C)(C)C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001589084794 1166633752 /nfs/dbraw/zinc/63/37/52/1166633752.db2.gz KPRIUJFHCHZHEQ-SNAWJCMRSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001589084794 1166633754 /nfs/dbraw/zinc/63/37/54/1166633754.db2.gz KPRIUJFHCHZHEQ-SNAWJCMRSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)N1CC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1=O ZINC001589137363 1166637747 /nfs/dbraw/zinc/63/77/47/1166637747.db2.gz ZJAHGGDBKACSNQ-QMMMGPOBSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(C)N1CC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1=O ZINC001589137363 1166637750 /nfs/dbraw/zinc/63/77/50/1166637750.db2.gz ZJAHGGDBKACSNQ-QMMMGPOBSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(C)OC(=O)C1CN(c2ncncc2-c2nn[n-]n2)C1 ZINC001589148154 1166637826 /nfs/dbraw/zinc/63/78/26/1166637826.db2.gz CRURNLNLSQHWEW-UHFFFAOYSA-N -1 1 303.326 0.435 20 0 DCADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)[C@@]1(O)CCCOC1 ZINC001589292643 1166645129 /nfs/dbraw/zinc/64/51/29/1166645129.db2.gz GFAYBSQXKBYSRE-CQSZACIVSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)[C@@]1(O)CCCOC1 ZINC001589292643 1166645136 /nfs/dbraw/zinc/64/51/36/1166645136.db2.gz GFAYBSQXKBYSRE-CQSZACIVSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)(F)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001589309278 1166645302 /nfs/dbraw/zinc/64/53/02/1166645302.db2.gz CJUBEXIQLKMFEW-UHFFFAOYSA-N -1 1 320.332 0.053 20 0 DCADMM CC(C)(F)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001589309278 1166645307 /nfs/dbraw/zinc/64/53/07/1166645307.db2.gz CJUBEXIQLKMFEW-UHFFFAOYSA-N -1 1 320.332 0.053 20 0 DCADMM CC(C)(CO)Cc1cn(Cc2ccc(-c3nnn[n-]3)o2)nn1 ZINC001589299382 1166645353 /nfs/dbraw/zinc/64/53/53/1166645353.db2.gz NFOWURBZFJDKAM-UHFFFAOYSA-N -1 1 303.326 0.661 20 0 DCADMM CC(C)(CO)Cc1cn(Cc2ccc(-c3nn[n-]n3)o2)nn1 ZINC001589299382 1166645359 /nfs/dbraw/zinc/64/53/59/1166645359.db2.gz NFOWURBZFJDKAM-UHFFFAOYSA-N -1 1 303.326 0.661 20 0 DCADMM CC(C)(O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589326592 1166647129 /nfs/dbraw/zinc/64/71/29/1166647129.db2.gz JHPPBXAGEOFUCB-NSHDSACASA-N -1 1 316.365 0.885 20 0 DCADMM CC(C)(O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589326592 1166647136 /nfs/dbraw/zinc/64/71/36/1166647136.db2.gz JHPPBXAGEOFUCB-NSHDSACASA-N -1 1 316.365 0.885 20 0 DCADMM CC(C)C(=O)N(C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001589394233 1166654021 /nfs/dbraw/zinc/65/40/21/1166654021.db2.gz ZDSMOFTVSGOZBW-UHFFFAOYSA-N -1 1 304.358 0.573 20 0 DCADMM CC(C)C(=O)N(C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001589394233 1166654024 /nfs/dbraw/zinc/65/40/24/1166654024.db2.gz ZDSMOFTVSGOZBW-UHFFFAOYSA-N -1 1 304.358 0.573 20 0 DCADMM CC(C)C(=O)NC1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001589404790 1166656417 /nfs/dbraw/zinc/65/64/17/1166656417.db2.gz TVJOQESTKTVXRD-UHFFFAOYSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)NC1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001589404790 1166656424 /nfs/dbraw/zinc/65/64/24/1166656424.db2.gz TVJOQESTKTVXRD-UHFFFAOYSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)[C@@H](C)N(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC001589435415 1166659873 /nfs/dbraw/zinc/65/98/73/1166659873.db2.gz HTNSKLYXKDTQRT-SECBINFHSA-N -1 1 304.358 0.494 20 0 DCADMM CC(C)[C@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589480768 1166660986 /nfs/dbraw/zinc/66/09/86/1166660986.db2.gz VDFYVMGUDNFRFE-SSDOTTSWSA-N -1 1 317.396 0.223 20 0 DCADMM CC(C)[C@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589480768 1166660991 /nfs/dbraw/zinc/66/09/91/1166660991.db2.gz VDFYVMGUDNFRFE-SSDOTTSWSA-N -1 1 317.396 0.223 20 0 DCADMM CC(C)[C@@H](O)CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589475451 1166661399 /nfs/dbraw/zinc/66/13/99/1166661399.db2.gz HOMXVGCREPGUQP-VIFPVBQESA-N -1 1 308.346 0.129 20 0 DCADMM CC(C)[C@@H](O)CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589475451 1166661405 /nfs/dbraw/zinc/66/14/05/1166661405.db2.gz HOMXVGCREPGUQP-VIFPVBQESA-N -1 1 308.346 0.129 20 0 DCADMM CC(C)[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001589516507 1166664769 /nfs/dbraw/zinc/66/47/69/1166664769.db2.gz DDFAROSSSRTJIY-LBPRGKRZSA-N -1 1 302.338 0.759 20 0 DCADMM CC(C)[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001589516507 1166664783 /nfs/dbraw/zinc/66/47/83/1166664783.db2.gz DDFAROSSSRTJIY-LBPRGKRZSA-N -1 1 302.338 0.759 20 0 DCADMM CC(C)CC(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001589533806 1166665235 /nfs/dbraw/zinc/66/52/35/1166665235.db2.gz DNNTWUOKIMIXKR-ONEGZZNKSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)CC(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001589533806 1166665249 /nfs/dbraw/zinc/66/52/49/1166665249.db2.gz DNNTWUOKIMIXKR-ONEGZZNKSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)CC(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001589536365 1166665747 /nfs/dbraw/zinc/66/57/47/1166665747.db2.gz LUXAMINWMNXFKV-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)CC(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001589536365 1166665751 /nfs/dbraw/zinc/66/57/51/1166665751.db2.gz LUXAMINWMNXFKV-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)COC(=O)[C@H](C)NCc1cccc(-c2nnn[n-]2)n1 ZINC001589638191 1166671286 /nfs/dbraw/zinc/67/12/86/1166671286.db2.gz AGIYEMAQKKCDFD-JTQLQIEISA-N -1 1 304.354 0.939 20 0 DCADMM CC(C)COC(=O)[C@H](C)NCc1cccc(-c2nn[n-]n2)n1 ZINC001589638191 1166671290 /nfs/dbraw/zinc/67/12/90/1166671290.db2.gz AGIYEMAQKKCDFD-JTQLQIEISA-N -1 1 304.354 0.939 20 0 DCADMM CC(C)C[C@@H]1C[C@H]1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589658880 1166671415 /nfs/dbraw/zinc/67/14/15/1166671415.db2.gz UYEUYUOZFMTEOJ-IVZWLZJFSA-N -1 1 304.358 0.570 20 0 DCADMM CC(C)N(C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O)C(C)C ZINC001589672969 1166672107 /nfs/dbraw/zinc/67/21/07/1166672107.db2.gz LMBUTMAEGHTBQC-UHFFFAOYSA-N -1 1 304.354 0.674 20 0 DCADMM CC(C)O[C@]1(Cn2cnc(-c3nn[n-]n3)cc2=O)CCOC1 ZINC001589736931 1166681259 /nfs/dbraw/zinc/68/12/59/1166681259.db2.gz FADIXNPACRIMLO-ZDUSSCGKSA-N -1 1 306.326 0.008 20 0 DCADMM C[C@@H](COCC1CC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589886616 1166709552 /nfs/dbraw/zinc/70/95/52/1166709552.db2.gz VDXCMUPLLORHBT-VIFPVBQESA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](COCC1CC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589886616 1166709557 /nfs/dbraw/zinc/70/95/57/1166709557.db2.gz VDXCMUPLLORHBT-VIFPVBQESA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001589945527 1166728422 /nfs/dbraw/zinc/72/84/22/1166728422.db2.gz CVUYXOSWGNELTP-SECBINFHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC001589945527 1166728425 /nfs/dbraw/zinc/72/84/25/1166728425.db2.gz CVUYXOSWGNELTP-SECBINFHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC001589947405 1166728956 /nfs/dbraw/zinc/72/89/56/1166728956.db2.gz QRZOHBGOMFEDJO-ONGXEEELSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC001589947405 1166728961 /nfs/dbraw/zinc/72/89/61/1166728961.db2.gz QRZOHBGOMFEDJO-ONGXEEELSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(=O)N1CCCC[C@@H]1C ZINC001589986109 1166734793 /nfs/dbraw/zinc/73/47/93/1166734793.db2.gz XIMUECRYFQDMAP-UWVGGRQHSA-N -1 1 316.369 0.280 20 0 DCADMM C[C@]1(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC=CCC1 ZINC001590069680 1166763192 /nfs/dbraw/zinc/76/31/92/1166763192.db2.gz GSTNVOCIDXHTMF-ZDUSSCGKSA-N -1 1 302.342 0.321 20 0 DCADMM C[C@]1(C(N)=O)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001590073641 1166766989 /nfs/dbraw/zinc/76/69/89/1166766989.db2.gz VXJOZAXURSKODJ-LBPRGKRZSA-N -1 1 307.745 0.617 20 0 DCADMM C[C@]1(C(N)=O)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001590073641 1166766994 /nfs/dbraw/zinc/76/69/94/1166766994.db2.gz VXJOZAXURSKODJ-LBPRGKRZSA-N -1 1 307.745 0.617 20 0 DCADMM CC1(C)CCC[C@H](C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590095063 1166770021 /nfs/dbraw/zinc/77/00/21/1166770021.db2.gz VDPLXVGOHKHBMK-JTQLQIEISA-N -1 1 318.385 0.791 20 0 DCADMM CC1(C)CCC[C@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590097056 1166770132 /nfs/dbraw/zinc/77/01/32/1166770132.db2.gz SOVHJGHPMQPAQI-VIFPVBQESA-N -1 1 304.358 0.401 20 0 DCADMM CC1(C)CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@H](CO)O1 ZINC001590106966 1166777215 /nfs/dbraw/zinc/77/72/15/1166777215.db2.gz NSKJESNFGODDSB-MRVPVSSYSA-N -1 1 310.383 0.295 20 0 DCADMM CC1(C)CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@H](CO)O1 ZINC001590106966 1166777221 /nfs/dbraw/zinc/77/72/21/1166777221.db2.gz NSKJESNFGODDSB-MRVPVSSYSA-N -1 1 310.383 0.295 20 0 DCADMM CC1(C)CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@@H](CO)O1 ZINC001590106968 1166777325 /nfs/dbraw/zinc/77/73/25/1166777325.db2.gz NSKJESNFGODDSB-QMMMGPOBSA-N -1 1 310.383 0.295 20 0 DCADMM CC1(C)CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@@H](CO)O1 ZINC001590106968 1166777333 /nfs/dbraw/zinc/77/73/33/1166777333.db2.gz NSKJESNFGODDSB-QMMMGPOBSA-N -1 1 310.383 0.295 20 0 DCADMM CC1(C)Cc2n[nH]cc2CN(c2ncncc2-c2nn[n-]n2)C1 ZINC001590113524 1166778535 /nfs/dbraw/zinc/77/85/35/1166778535.db2.gz PALOQWTYQIAHJJ-UHFFFAOYSA-N -1 1 311.353 0.969 20 0 DCADMM CC1(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)OCCO1 ZINC001590127564 1166783014 /nfs/dbraw/zinc/78/30/14/1166783014.db2.gz OFZDCRGQLYUGOI-UHFFFAOYSA-N -1 1 304.310 0.145 20 0 DCADMM CC1(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)OCCO1 ZINC001590127564 1166783019 /nfs/dbraw/zinc/78/30/19/1166783019.db2.gz OFZDCRGQLYUGOI-UHFFFAOYSA-N -1 1 304.310 0.145 20 0 DCADMM C[C@@]1(COC(=O)c2ccc(-c3nn[n-]n3)o2)CCC(=O)NC1 ZINC001590137033 1166787754 /nfs/dbraw/zinc/78/77/54/1166787754.db2.gz RYHYGZKWZYUNIU-CYBMUJFWSA-N -1 1 305.294 0.533 20 0 DCADMM C[C@]12COC[C@@H]1CN(C(=O)c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001590158631 1166792594 /nfs/dbraw/zinc/79/25/94/1166792594.db2.gz YVLVRUFSIMNHEH-HZMBPMFUSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@]12COC[C@@H]1CN(C(=O)c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001590158631 1166792601 /nfs/dbraw/zinc/79/26/01/1166792601.db2.gz YVLVRUFSIMNHEH-HZMBPMFUSA-N -1 1 300.322 0.370 20 0 DCADMM CC1=CC[C@@](C)(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590161237 1166792815 /nfs/dbraw/zinc/79/28/15/1166792815.db2.gz UWYZUQVGBYIQCH-CQSZACIVSA-N -1 1 316.369 0.711 20 0 DCADMM CC1=NO[C@](C)(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)C1 ZINC001590161888 1166792901 /nfs/dbraw/zinc/79/29/01/1166792901.db2.gz ITIHBCHCTCYIPO-LBPRGKRZSA-N -1 1 304.314 0.402 20 0 DCADMM CC1=NO[C@](C)(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)C1 ZINC001590161888 1166792906 /nfs/dbraw/zinc/79/29/06/1166792906.db2.gz ITIHBCHCTCYIPO-LBPRGKRZSA-N -1 1 304.314 0.402 20 0 DCADMM C[C@H]1[C@@H](CO)CCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590168278 1166798172 /nfs/dbraw/zinc/79/81/72/1166798172.db2.gz KHVQHSPYNQUHEL-DTWKUNHWSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@H]1[C@@H](CO)CCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590168278 1166798176 /nfs/dbraw/zinc/79/81/76/1166798176.db2.gz KHVQHSPYNQUHEL-DTWKUNHWSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H](C(=O)NC1C[C@H](C)C[C@@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590190361 1166803624 /nfs/dbraw/zinc/80/36/24/1166803624.db2.gz YUKJITMIGAJSJC-BBBLOLIVSA-N -1 1 318.385 0.960 20 0 DCADMM C[C@@H]1C[C@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCC1=O ZINC001590183759 1166804856 /nfs/dbraw/zinc/80/48/56/1166804856.db2.gz RYFLUKSDBJGQHL-MWLCHTKSSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@@H]1C[C@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCC1=O ZINC001590183759 1166804860 /nfs/dbraw/zinc/80/48/60/1166804860.db2.gz RYFLUKSDBJGQHL-MWLCHTKSSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)[C@@H](C)O1 ZINC001590193318 1166807351 /nfs/dbraw/zinc/80/73/51/1166807351.db2.gz JSQIUKUEOKXSFB-FOGDFJRCSA-N -1 1 316.365 0.734 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)[C@@H](C)O1 ZINC001590193318 1166807354 /nfs/dbraw/zinc/80/73/54/1166807354.db2.gz JSQIUKUEOKXSFB-FOGDFJRCSA-N -1 1 316.365 0.734 20 0 DCADMM C[C@@H](C(=O)N1CC(C)(C)C[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590191881 1166807551 /nfs/dbraw/zinc/80/75/51/1166807551.db2.gz JYECKUODEOREBA-BDAKNGLRSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001590203125 1166811500 /nfs/dbraw/zinc/81/15/00/1166811500.db2.gz MKEKXNGTSWRFBR-DOFRTFSJSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001590203125 1166811507 /nfs/dbraw/zinc/81/15/07/1166811507.db2.gz MKEKXNGTSWRFBR-DOFRTFSJSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@@H]1C[C@@]2(CC[C@@H](CNc3nccnc3-c3nnn[n-]3)O2)CO1 ZINC001590219482 1166818649 /nfs/dbraw/zinc/81/86/49/1166818649.db2.gz LLJWEPNQBUDZRO-BFVZDQMLSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1C[C@@]2(CC[C@@H](CNc3nccnc3-c3nn[n-]n3)O2)CO1 ZINC001590219482 1166818652 /nfs/dbraw/zinc/81/86/52/1166818652.db2.gz LLJWEPNQBUDZRO-BFVZDQMLSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@H]1CCCCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590258645 1166828558 /nfs/dbraw/zinc/82/85/58/1166828558.db2.gz GOICFEKBVAFQPV-VIFPVBQESA-N -1 1 305.346 0.042 20 0 DCADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](C(N)=O)C1 ZINC001590270573 1166831134 /nfs/dbraw/zinc/83/11/34/1166831134.db2.gz ZUTBBAQGPGCOGS-YUMQZZPRSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](C(N)=O)C1 ZINC001590270573 1166831139 /nfs/dbraw/zinc/83/11/39/1166831139.db2.gz ZUTBBAQGPGCOGS-YUMQZZPRSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]1CO ZINC001590268368 1166832817 /nfs/dbraw/zinc/83/28/17/1166832817.db2.gz WVRUMXVDIQRICR-WPRPVWTQSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]1CO ZINC001590268368 1166832822 /nfs/dbraw/zinc/83/28/22/1166832822.db2.gz WVRUMXVDIQRICR-WPRPVWTQSA-N -1 1 303.326 0.496 20 0 DCADMM CC1CCN(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)CC1 ZINC001590264945 1166832885 /nfs/dbraw/zinc/83/28/85/1166832885.db2.gz VTQNGALRKUJFNG-UHFFFAOYSA-N -1 1 302.338 0.287 20 0 DCADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001590275253 1166837526 /nfs/dbraw/zinc/83/75/26/1166837526.db2.gz BTSHJJCTXBRPCS-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001590275253 1166837532 /nfs/dbraw/zinc/83/75/32/1166837532.db2.gz BTSHJJCTXBRPCS-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM C[C@@H]1CCc2nc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cn2C1 ZINC001590280395 1166839867 /nfs/dbraw/zinc/83/98/67/1166839867.db2.gz BQVNPSKGGZCHRB-SSDOTTSWSA-N -1 1 313.325 0.113 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H](CO)O1 ZINC001590299996 1166848331 /nfs/dbraw/zinc/84/83/31/1166848331.db2.gz OOKPLRJPFWJARN-DTWKUNHWSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H](CO)O1 ZINC001590299996 1166848334 /nfs/dbraw/zinc/84/83/34/1166848334.db2.gz OOKPLRJPFWJARN-DTWKUNHWSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@]2(CCCOC2)O1 ZINC001590315148 1166859777 /nfs/dbraw/zinc/85/97/77/1166859777.db2.gz FQNXPUPUDCFOJT-HZMBPMFUSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@]2(CCCOC2)O1 ZINC001590315148 1166859783 /nfs/dbraw/zinc/85/97/83/1166859783.db2.gz FQNXPUPUDCFOJT-HZMBPMFUSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H](C(=O)N1CCCSC[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590329763 1166867244 /nfs/dbraw/zinc/86/72/44/1166867244.db2.gz QYBRENQTQUKGSU-DTWKUNHWSA-N -1 1 322.398 0.373 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590342284 1166877307 /nfs/dbraw/zinc/87/73/07/1166877307.db2.gz FBCXZCWOMFOUDI-ONNFQVAWSA-N -1 1 316.369 0.305 20 0 DCADMM C/C=C(\CC)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590349756 1166879819 /nfs/dbraw/zinc/87/98/19/1166879819.db2.gz LXOKJEJBUSLLLZ-RUDMXATFSA-N -1 1 318.385 0.919 20 0 DCADMM C/C=C(\CC)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590349756 1166879823 /nfs/dbraw/zinc/87/98/23/1166879823.db2.gz LXOKJEJBUSLLLZ-RUDMXATFSA-N -1 1 318.385 0.919 20 0 DCADMM CCC(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590361280 1166883786 /nfs/dbraw/zinc/88/37/86/1166883786.db2.gz UCXXIFOCBBRMQZ-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590361280 1166883793 /nfs/dbraw/zinc/88/37/93/1166883793.db2.gz UCXXIFOCBBRMQZ-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001590360605 1166883985 /nfs/dbraw/zinc/88/39/85/1166883985.db2.gz APTGUBAABJDJHT-BDAKNGLRSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001590360605 1166883989 /nfs/dbraw/zinc/88/39/89/1166883989.db2.gz APTGUBAABJDJHT-BDAKNGLRSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001590360745 1166885445 /nfs/dbraw/zinc/88/54/45/1166885445.db2.gz IYQXELPWZVFTPX-VIFPVBQESA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001590360745 1166885453 /nfs/dbraw/zinc/88/54/53/1166885453.db2.gz IYQXELPWZVFTPX-VIFPVBQESA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590363139 1166886778 /nfs/dbraw/zinc/88/67/78/1166886778.db2.gz GPOKLHPHRVCRSO-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM CC[C@H](C)[C@@H](OC)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001590402728 1166897018 /nfs/dbraw/zinc/89/70/18/1166897018.db2.gz PFQOTFROEDXNBI-OIBJUYFYSA-N -1 1 307.358 0.908 20 0 DCADMM CC[C@H](C)[C@@H](OC)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001590402728 1166897026 /nfs/dbraw/zinc/89/70/26/1166897026.db2.gz PFQOTFROEDXNBI-OIBJUYFYSA-N -1 1 307.358 0.908 20 0 DCADMM CC[C@@H](CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)OC ZINC001590442268 1166904736 /nfs/dbraw/zinc/90/47/36/1166904736.db2.gz VVZQSDZCFWPCEO-QMMMGPOBSA-N -1 1 306.326 0.431 20 0 DCADMM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@H](O)C(C)C ZINC001590460218 1166915981 /nfs/dbraw/zinc/91/59/81/1166915981.db2.gz ZJXCUPVOHPPSFZ-BXKDBHETSA-N -1 1 304.354 0.787 20 0 DCADMM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@H](O)C(C)C ZINC001590460218 1166915986 /nfs/dbraw/zinc/91/59/86/1166915986.db2.gz ZJXCUPVOHPPSFZ-BXKDBHETSA-N -1 1 304.354 0.787 20 0 DCADMM CC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)[C@H]1CC1(C)C ZINC001590472029 1166918510 /nfs/dbraw/zinc/91/85/10/1166918510.db2.gz QILXMDSAEJYPKO-HTQZYQBOSA-N -1 1 319.369 0.903 20 0 DCADMM CC[C@H](O)CCNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590475915 1166919631 /nfs/dbraw/zinc/91/96/31/1166919631.db2.gz QLHCASMXRCNVBW-ZETCQYMHSA-N -1 1 311.371 0.283 20 0 DCADMM CC[C@H](O)CCNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590475915 1166919636 /nfs/dbraw/zinc/91/96/36/1166919636.db2.gz QLHCASMXRCNVBW-ZETCQYMHSA-N -1 1 311.371 0.283 20 0 DCADMM CC[C@@H]1CCCC[C@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590511357 1166927798 /nfs/dbraw/zinc/92/77/98/1166927798.db2.gz KKWVBVLGESSMIT-GHMZBOCLSA-N -1 1 318.385 0.791 20 0 DCADMM CC[C@H]1CN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C[C@H]1O ZINC001590520770 1166932317 /nfs/dbraw/zinc/93/23/17/1166932317.db2.gz IYNXVNPAPSGNTO-GZMMTYOYSA-N -1 1 318.337 0.255 20 0 DCADMM CC[C@H]1CN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C[C@H]1O ZINC001590520770 1166932326 /nfs/dbraw/zinc/93/23/26/1166932326.db2.gz IYNXVNPAPSGNTO-GZMMTYOYSA-N -1 1 318.337 0.255 20 0 DCADMM CCCC(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590534080 1166935457 /nfs/dbraw/zinc/93/54/57/1166935457.db2.gz MOURHKZTSZZDEA-SECBINFHSA-N -1 1 304.358 0.138 20 0 DCADMM CCCC(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001590530552 1166937251 /nfs/dbraw/zinc/93/72/51/1166937251.db2.gz DDWCMYXCFRSAQU-SECBINFHSA-N -1 1 304.358 0.716 20 0 DCADMM CCCC(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001590530552 1166937257 /nfs/dbraw/zinc/93/72/57/1166937257.db2.gz DDWCMYXCFRSAQU-SECBINFHSA-N -1 1 304.358 0.716 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590536819 1166939742 /nfs/dbraw/zinc/93/97/42/1166939742.db2.gz 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CCN1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1=O ZINC001590731038 1166989812 /nfs/dbraw/zinc/98/98/12/1166989812.db2.gz XWOXNMPXHRFLSJ-VIFPVBQESA-N -1 1 324.348 0.843 20 0 DCADMM CCN1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1=O ZINC001590731038 1166989818 /nfs/dbraw/zinc/98/98/18/1166989818.db2.gz XWOXNMPXHRFLSJ-VIFPVBQESA-N -1 1 324.348 0.843 20 0 DCADMM CCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C(C)(C)C1=O ZINC001590735057 1166992613 /nfs/dbraw/zinc/99/26/13/1166992613.db2.gz OWFUOIRTTBTIEM-UHFFFAOYSA-N -1 1 318.337 0.543 20 0 DCADMM CCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C(C)(C)C1=O ZINC001590735057 1166992615 /nfs/dbraw/zinc/99/26/15/1166992615.db2.gz OWFUOIRTTBTIEM-UHFFFAOYSA-N -1 1 318.337 0.543 20 0 DCADMM CCNC(=O)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590738078 1166998374 /nfs/dbraw/zinc/99/83/74/1166998374.db2.gz SIKQBCJYPOFQQL-BYPYZUCNSA-N -1 1 301.763 0.913 20 0 DCADMM CCNC(=O)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590738078 1166998370 /nfs/dbraw/zinc/99/83/70/1166998370.db2.gz 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1167016728 /nfs/dbraw/zinc/01/67/28/1167016728.db2.gz XQUZOFNTGFGGIC-UHFFFAOYSA-N -1 1 305.323 0.745 20 0 DCADMM CCO[C@@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC001590781177 1167019938 /nfs/dbraw/zinc/01/99/38/1167019938.db2.gz NFONOPLKWVORKF-VXNVDRBHSA-N -1 1 324.366 0.703 20 0 DCADMM CCO[C@@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC001590781177 1167019942 /nfs/dbraw/zinc/01/99/42/1167019942.db2.gz NFONOPLKWVORKF-VXNVDRBHSA-N -1 1 324.366 0.703 20 0 DCADMM CC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001590856434 1167038712 /nfs/dbraw/zinc/03/87/12/1167038712.db2.gz VMUVWOZWPHGSQE-SECBINFHSA-N -1 1 313.325 0.121 20 0 DCADMM CC[C@@H]1C(=O)NCCCN1C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590857496 1167040956 /nfs/dbraw/zinc/04/09/56/1167040956.db2.gz VPCPVEWWBUWELA-SNVBAGLBSA-N -1 1 318.337 0.509 20 0 DCADMM CC[C@@H]1C(=O)NCCCN1C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590857496 1167040960 /nfs/dbraw/zinc/04/09/60/1167040960.db2.gz VPCPVEWWBUWELA-SNVBAGLBSA-N -1 1 318.337 0.509 20 0 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CN(CC(C)(C)O)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001591044961 1167092041 /nfs/dbraw/zinc/09/20/41/1167092041.db2.gz UKJNOOWKJSMMBG-UHFFFAOYSA-N -1 1 317.396 0.320 20 0 DCADMM CN(C[C@H]1CCCOC1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591057988 1167097680 /nfs/dbraw/zinc/09/76/80/1167097680.db2.gz LGMOYTFTSJQMBI-GFCCVEGCSA-N -1 1 316.365 0.689 20 0 DCADMM CN(C[C@H]1CCCOC1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591057988 1167097686 /nfs/dbraw/zinc/09/76/86/1167097686.db2.gz LGMOYTFTSJQMBI-GFCCVEGCSA-N -1 1 316.365 0.689 20 0 DCADMM CN(CCN1CCCC1=O)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591095368 1167103839 /nfs/dbraw/zinc/10/38/39/1167103839.db2.gz RAVJDWIJFFBXLM-UHFFFAOYSA-N -1 1 320.378 0.623 20 0 DCADMM CN(Cc1cnn(C)c1)Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC001591151103 1167115452 /nfs/dbraw/zinc/11/54/52/1167115452.db2.gz DDFXIZSMVSCRKQ-UHFFFAOYSA-N -1 1 324.352 0.275 20 0 DCADMM CN(Cc1cnn(C)c1)Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC001591151103 1167115459 /nfs/dbraw/zinc/11/54/59/1167115459.db2.gz 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FJUVHHCMOVQIEZ-UHFFFAOYSA-N -1 1 316.321 0.281 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ccc[n+]([O-])c1 ZINC001591836362 1167391431 /nfs/dbraw/zinc/39/14/31/1167391431.db2.gz PIXFSDMEJMCWLU-UHFFFAOYSA-N -1 1 313.277 0.161 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@]3(CCSC3)C2)n1 ZINC001591887587 1167410978 /nfs/dbraw/zinc/41/09/78/1167410978.db2.gz ARDMOHYDTHNIJI-CYBMUJFWSA-N -1 1 319.394 0.677 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@]3(CCSC3)C2)n1 ZINC001591887587 1167410987 /nfs/dbraw/zinc/41/09/87/1167410987.db2.gz ARDMOHYDTHNIJI-CYBMUJFWSA-N -1 1 319.394 0.677 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCc3c(nnn3C)C2)n1 ZINC001591893414 1167412453 /nfs/dbraw/zinc/41/24/53/1167412453.db2.gz GEBJZLYPUQVFLI-QMMMGPOBSA-N -1 1 312.341 0.063 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCc3c(nnn3C)C2)n1 ZINC001591893414 1167412457 /nfs/dbraw/zinc/41/24/57/1167412457.db2.gz GEBJZLYPUQVFLI-QMMMGPOBSA-N -1 1 312.341 0.063 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCOC23CCOCC3)n1 ZINC001591894076 1167412964 /nfs/dbraw/zinc/41/29/64/1167412964.db2.gz YSLMJPYODNQITJ-LLVKDONJSA-N -1 1 317.353 0.715 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCOC23CCOCC3)n1 ZINC001591894076 1167412967 /nfs/dbraw/zinc/41/29/67/1167412967.db2.gz YSLMJPYODNQITJ-LLVKDONJSA-N -1 1 317.353 0.715 20 0 DCADMM Cc1[nH]nc2nc(C)cc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)c12 ZINC001591932955 1167420638 /nfs/dbraw/zinc/42/06/38/1167420638.db2.gz QIBNAKYXSZYJJI-UHFFFAOYSA-N -1 1 324.308 0.730 20 0 DCADMM Cc1[nH]nc2nc(C)cc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)c12 ZINC001591932955 1167420644 /nfs/dbraw/zinc/42/06/44/1167420644.db2.gz QIBNAKYXSZYJJI-UHFFFAOYSA-N -1 1 324.308 0.730 20 0 DCADMM Cc1cc(CCC(=O)NCc2nc(-c3nn[n-]n3)cs2)[nH]n1 ZINC001591961697 1167425645 /nfs/dbraw/zinc/42/56/45/1167425645.db2.gz PMKWQLYJZLYNIR-UHFFFAOYSA-N -1 1 318.366 0.604 20 0 DCADMM Cc1cc(NCCCCS(N)(=O)=O)cc(-c2nnn[n-]2)n1 ZINC001592047209 1167444324 /nfs/dbraw/zinc/44/43/24/1167444324.db2.gz KZQXUSYIGWGRCR-UHFFFAOYSA-N -1 1 311.371 0.051 20 0 DCADMM Cc1cc(NCCCCS(N)(=O)=O)cc(-c2nn[n-]n2)n1 ZINC001592047209 1167444326 /nfs/dbraw/zinc/44/43/26/1167444326.db2.gz KZQXUSYIGWGRCR-UHFFFAOYSA-N -1 1 311.371 0.051 20 0 DCADMM Cc1cc[nH]c1C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592072992 1167448752 /nfs/dbraw/zinc/44/87/52/1167448752.db2.gz GPEWIUDKEYYINV-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1cc[nH]c1C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592072992 1167448760 /nfs/dbraw/zinc/44/87/60/1167448760.db2.gz GPEWIUDKEYYINV-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](CO)[C@@H]1CCOC1 ZINC001592114092 1167458452 /nfs/dbraw/zinc/45/84/52/1167458452.db2.gz NVEKNITWKXAUNZ-GHMZBOCLSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCS(=O)(=O)C[C@@H](C)C1 ZINC001592113397 1167458953 /nfs/dbraw/zinc/45/89/53/1167458953.db2.gz FZUWHUCKPPSIFA-VIFPVBQESA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCS(=O)(=O)C[C@@H](C)C1 ZINC001592113397 1167458957 /nfs/dbraw/zinc/45/89/57/1167458957.db2.gz FZUWHUCKPPSIFA-VIFPVBQESA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(N2CC[C@@H](C3OCCO3)C2)c(-c2nnn[n-]2)n1 ZINC001592174576 1167468200 /nfs/dbraw/zinc/46/82/00/1167468200.db2.gz JWTYHBQEOVVHKK-SNVBAGLBSA-N -1 1 302.338 0.769 20 0 DCADMM Cc1ccc(N2CC[C@@H](C3OCCO3)C2)c(-c2nn[n-]n2)n1 ZINC001592174576 1167468202 /nfs/dbraw/zinc/46/82/02/1167468202.db2.gz JWTYHBQEOVVHKK-SNVBAGLBSA-N -1 1 302.338 0.769 20 0 DCADMM Cc1ccc(OS(=O)(=O)c2cccnc2-c2nn[n-]n2)cn1 ZINC001592191261 1167472583 /nfs/dbraw/zinc/47/25/83/1167472583.db2.gz UBZMABNRASXSTH-UHFFFAOYSA-N -1 1 318.318 0.733 20 0 DCADMM Cc1ccc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)nc1-c1nnn[n-]1 ZINC001592185815 1167472798 /nfs/dbraw/zinc/47/27/98/1167472798.db2.gz CNTHGUSLOQYSCP-RKDXNWHRSA-N -1 1 308.367 0.558 20 0 DCADMM Cc1ccc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)nc1-c1nn[n-]n1 ZINC001592185815 1167472803 /nfs/dbraw/zinc/47/28/03/1167472803.db2.gz CNTHGUSLOQYSCP-RKDXNWHRSA-N -1 1 308.367 0.558 20 0 DCADMM Cc1ccnc(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592271462 1167482027 /nfs/dbraw/zinc/48/20/27/1167482027.db2.gz FTAPPHQPJOIJDH-SECBINFHSA-N -1 1 313.325 0.039 20 0 DCADMM Cc1ccoc1CN(C)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592282493 1167484668 /nfs/dbraw/zinc/48/46/68/1167484668.db2.gz VIUMGVPEGHUPLD-SECBINFHSA-N -1 1 316.325 0.579 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)c1-c1nn[n-]n1 ZINC001592327102 1167488311 /nfs/dbraw/zinc/48/83/11/1167488311.db2.gz CBJAYEZTDIRIPJ-JGVFFNPUSA-N -1 1 318.341 0.128 20 0 DCADMM Cc1[nH]nc(NC(=O)CCCCCNC(N)=O)c1-c1nn[n-]n1 ZINC001592328146 1167488429 /nfs/dbraw/zinc/48/84/29/1167488429.db2.gz NLEMYBUNGISGSJ-UHFFFAOYSA-N -1 1 321.345 0.065 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cccc(F)c2N)c1-c1nn[n-]n1 ZINC001592332548 1167491045 /nfs/dbraw/zinc/49/10/45/1167491045.db2.gz JAMYEMYBBAYZJL-UHFFFAOYSA-N -1 1 302.273 0.872 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[S@](=O)[C@@H](C)[C@@H]2C)n1 ZINC001592341644 1167496068 /nfs/dbraw/zinc/49/60/68/1167496068.db2.gz YVIYEWIRZSLWOU-KLBQYZOKSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[S@](=O)[C@@H](C)[C@@H]2C)n1 ZINC001592341644 1167496070 /nfs/dbraw/zinc/49/60/70/1167496070.db2.gz YVIYEWIRZSLWOU-KLBQYZOKSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1nc(CN(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)no1 ZINC001592360588 1167503951 /nfs/dbraw/zinc/50/39/51/1167503951.db2.gz LBRBYPXNWOYRET-UHFFFAOYSA-N -1 1 318.297 0.056 20 0 DCADMM Cc1nc(CN(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)no1 ZINC001592360588 1167503954 /nfs/dbraw/zinc/50/39/54/1167503954.db2.gz LBRBYPXNWOYRET-UHFFFAOYSA-N -1 1 318.297 0.056 20 0 DCADMM Cc1nc(NCCOC[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592391738 1167511360 /nfs/dbraw/zinc/51/13/60/1167511360.db2.gz SJWSIDXUPQYYJZ-SNVBAGLBSA-N -1 1 305.342 0.430 20 0 DCADMM Cc1nc(NCCOC[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592391738 1167511365 /nfs/dbraw/zinc/51/13/65/1167511365.db2.gz SJWSIDXUPQYYJZ-SNVBAGLBSA-N -1 1 305.342 0.430 20 0 DCADMM Cc1nc(NCCN2CCOC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592392242 1167513263 /nfs/dbraw/zinc/51/32/63/1167513263.db2.gz DIAYQZJMNMRUIR-SECBINFHSA-N -1 1 304.358 0.098 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001592427967 1167520682 /nfs/dbraw/zinc/52/06/82/1167520682.db2.gz YMMWHQMWBKXMOX-JTQLQIEISA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001592427967 1167520687 /nfs/dbraw/zinc/52/06/87/1167520687.db2.gz YMMWHQMWBKXMOX-JTQLQIEISA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC001592440702 1167522397 /nfs/dbraw/zinc/52/23/97/1167522397.db2.gz HEVWUOGPPAZEDX-ZCFIWIBFSA-N -1 1 300.282 0.444 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC001592440702 1167522401 /nfs/dbraw/zinc/52/24/01/1167522401.db2.gz HEVWUOGPPAZEDX-ZCFIWIBFSA-N -1 1 300.282 0.444 20 0 DCADMM Cc1nnc(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)s1 ZINC001592440874 1167524344 /nfs/dbraw/zinc/52/43/44/1167524344.db2.gz DFCKRKDZHLVXLR-UHFFFAOYSA-N -1 1 305.323 0.592 20 0 DCADMM Cc1nnc(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001592440874 1167524349 /nfs/dbraw/zinc/52/43/49/1167524349.db2.gz DFCKRKDZHLVXLR-UHFFFAOYSA-N -1 1 305.323 0.592 20 0 DCADMM Cc1noc(C2CN(c3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001592461563 1167529628 /nfs/dbraw/zinc/52/96/28/1167529628.db2.gz YKXYNKPZNRUJNA-UHFFFAOYSA-N -1 1 304.339 0.927 20 0 DCADMM Cc1noc(C2(NC(=O)c3cccc(-c4nnn[n-]4)n3)CC2)n1 ZINC001592459319 1167530214 /nfs/dbraw/zinc/53/02/14/1167530214.db2.gz DKMSGVFFSVJAJV-UHFFFAOYSA-N -1 1 312.293 0.372 20 0 DCADMM Cc1noc(C2(NC(=O)c3cccc(-c4nn[n-]n4)n3)CC2)n1 ZINC001592459319 1167530217 /nfs/dbraw/zinc/53/02/17/1167530217.db2.gz DKMSGVFFSVJAJV-UHFFFAOYSA-N -1 1 312.293 0.372 20 0 DCADMM Cc1noc(C2(NC(=O)c3cc(-c4nnn[n-]4)oc3C)CC2)n1 ZINC001592459951 1167530531 /nfs/dbraw/zinc/53/05/31/1167530531.db2.gz VXOUQDLOXKUPMY-UHFFFAOYSA-N -1 1 315.293 0.879 20 0 DCADMM Cc1noc(C2(NC(=O)c3cc(-c4nn[n-]n4)oc3C)CC2)n1 ZINC001592459951 1167530536 /nfs/dbraw/zinc/53/05/36/1167530536.db2.gz VXOUQDLOXKUPMY-UHFFFAOYSA-N -1 1 315.293 0.879 20 0 DCADMM Cc1nsc(N(C)C(=O)c2nnn(C)c2C)c1-c1nnn[n-]1 ZINC001592467943 1167532957 /nfs/dbraw/zinc/53/29/57/1167532957.db2.gz QWEZGYWWVUECED-UHFFFAOYSA-N -1 1 319.354 0.345 20 0 DCADMM Cc1nsc(N(C)C(=O)c2nnn(C)c2C)c1-c1nn[n-]n1 ZINC001592467943 1167532970 /nfs/dbraw/zinc/53/29/70/1167532970.db2.gz QWEZGYWWVUECED-UHFFFAOYSA-N -1 1 319.354 0.345 20 0 DCADMM Cc1nocc1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001592465130 1167533163 /nfs/dbraw/zinc/53/31/63/1167533163.db2.gz CCWCJBLSBZQOFG-UHFFFAOYSA-N -1 1 303.282 0.318 20 0 DCADMM Cc1nocc1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001592465130 1167533169 /nfs/dbraw/zinc/53/31/69/1167533169.db2.gz CCWCJBLSBZQOFG-UHFFFAOYSA-N -1 1 303.282 0.318 20 0 DCADMM Cc1nsc(NC(=O)NC[C@H](O)C2CCC2)c1-c1nnn[n-]1 ZINC001592481306 1167533509 /nfs/dbraw/zinc/53/35/09/1167533509.db2.gz LDPLFXQCXSAUEP-QMMMGPOBSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)NC[C@H](O)C2CCC2)c1-c1nn[n-]n1 ZINC001592481306 1167533520 /nfs/dbraw/zinc/53/35/20/1167533520.db2.gz LDPLFXQCXSAUEP-QMMMGPOBSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(N2CCO[C@@H](C(=O)C3CC3)C2)c1-c1nn[n-]n1 ZINC001592476401 1167534711 /nfs/dbraw/zinc/53/47/11/1167534711.db2.gz HBQMXEJNKNZWRI-SECBINFHSA-N -1 1 320.378 0.816 20 0 DCADMM Cc1nsc(NC(=O)[C@@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC001592479312 1167534899 /nfs/dbraw/zinc/53/48/99/1167534899.db2.gz LUOSTHVQNYSPDT-RXMQYKEDSA-N -1 1 316.368 0.003 20 0 DCADMM Cc1nsc(NC(=O)[C@@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC001592479312 1167534908 /nfs/dbraw/zinc/53/49/08/1167534908.db2.gz LUOSTHVQNYSPDT-RXMQYKEDSA-N -1 1 316.368 0.003 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2C[C@H](O)C2(C)C)c1-c1nnn[n-]1 ZINC001592481189 1167535153 /nfs/dbraw/zinc/53/51/53/1167535153.db2.gz HVPYRNYXZLPXKB-RQJHMYQMSA-N -1 1 323.382 0.913 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2C[C@H](O)C2(C)C)c1-c1nn[n-]n1 ZINC001592481189 1167535156 /nfs/dbraw/zinc/53/51/56/1167535156.db2.gz HVPYRNYXZLPXKB-RQJHMYQMSA-N -1 1 323.382 0.913 20 0 DCADMM Cc1nsc(NC[C@H]2CCN(C)C(=O)C2)c1-c1nn[n-]n1 ZINC001592488949 1167538249 /nfs/dbraw/zinc/53/82/49/1167538249.db2.gz DIBNHTIFYJSPGE-QMMMGPOBSA-N -1 1 307.383 0.912 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001592502604 1167542433 /nfs/dbraw/zinc/54/24/33/1167542433.db2.gz NSFZFYPCYHVWGE-GUDFOSOFSA-N -1 1 321.337 0.162 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001592502604 1167542439 /nfs/dbraw/zinc/54/24/39/1167542439.db2.gz NSFZFYPCYHVWGE-GUDFOSOFSA-N -1 1 321.337 0.162 20 0 DCADMM Cc1oc(NC(=O)[C@H](C)N2CC[C@H]2CO)c(-c2nn[n-]n2)c1C ZINC001592509703 1167544563 /nfs/dbraw/zinc/54/45/63/1167544563.db2.gz WCZMSBCLPMJMTP-WPRPVWTQSA-N -1 1 320.353 0.470 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCOC[C@H]2C)c1-c1nnn[n-]1 ZINC001592517836 1167546738 /nfs/dbraw/zinc/54/67/38/1167546738.db2.gz UASFPJFKKTXCKP-APPZFPTMSA-N -1 1 306.326 0.247 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCOC[C@H]2C)c1-c1nn[n-]n1 ZINC001592517836 1167546740 /nfs/dbraw/zinc/54/67/40/1167546740.db2.gz UASFPJFKKTXCKP-APPZFPTMSA-N -1 1 306.326 0.247 20 0 DCADMM Cn1c(=O)[nH]c(Oc2cccnc2Cl)c(-c2nn[n-]n2)c1=O ZINC001592545267 1167549407 /nfs/dbraw/zinc/54/94/07/1167549407.db2.gz SHZLZKFTXUYPIS-UHFFFAOYSA-N -1 1 321.684 0.094 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)COc2cccnc2)n1 ZINC001592558628 1167558443 /nfs/dbraw/zinc/55/84/43/1167558443.db2.gz BURIDKSVXPLDLF-UHFFFAOYSA-N -1 1 300.282 0.013 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)COc2cccnc2)n1 ZINC001592558628 1167558449 /nfs/dbraw/zinc/55/84/49/1167558449.db2.gz BURIDKSVXPLDLF-UHFFFAOYSA-N -1 1 300.282 0.013 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CC(=O)c3ccccc32)n1 ZINC001592558833 1167558566 /nfs/dbraw/zinc/55/85/66/1167558566.db2.gz HXLJKZUQPXJKHM-JTQLQIEISA-N -1 1 323.316 0.909 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CC(=O)c3ccccc32)n1 ZINC001592558833 1167558572 /nfs/dbraw/zinc/55/85/72/1167558572.db2.gz HXLJKZUQPXJKHM-JTQLQIEISA-N -1 1 323.316 0.909 20 0 DCADMM Cn1nc2c(c1CNc1nccnc1-c1nnn[n-]1)CCCC2 ZINC001592596967 1167576143 /nfs/dbraw/zinc/57/61/43/1167576143.db2.gz MVVBTCHHZCMNCK-UHFFFAOYSA-N -1 1 311.353 0.881 20 0 DCADMM Cn1nc2c(c1CNc1nccnc1-c1nn[n-]n1)CCCC2 ZINC001592596967 1167576146 /nfs/dbraw/zinc/57/61/46/1167576146.db2.gz MVVBTCHHZCMNCK-UHFFFAOYSA-N -1 1 311.353 0.881 20 0 DCADMM Cn1ncc(CNc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC001592601024 1167579300 /nfs/dbraw/zinc/57/93/00/1167579300.db2.gz CRNBEJUBGZDHHY-UHFFFAOYSA-N -1 1 308.309 0.551 20 0 DCADMM Cn1ncc(CNc2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC001592601024 1167579306 /nfs/dbraw/zinc/57/93/06/1167579306.db2.gz CRNBEJUBGZDHHY-UHFFFAOYSA-N -1 1 308.309 0.551 20 0 DCADMM FC(F)(F)CN1CC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592614167 1167586375 /nfs/dbraw/zinc/58/63/75/1167586375.db2.gz GFQWEZHWJWHURL-VIFPVBQESA-N -1 1 313.287 0.732 20 0 DCADMM FC(F)(F)CN1CC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592614167 1167586380 /nfs/dbraw/zinc/58/63/80/1167586380.db2.gz GFQWEZHWJWHURL-VIFPVBQESA-N -1 1 313.287 0.732 20 0 DCADMM FC(F)(F)c1ncc(CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001592622698 1167587669 /nfs/dbraw/zinc/58/76/69/1167587669.db2.gz SVWPPBPEVQOVEH-UHFFFAOYSA-N -1 1 323.242 0.500 20 0 DCADMM NC(=O)[C@H]1CC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592720472 1167611446 /nfs/dbraw/zinc/61/14/46/1167611446.db2.gz HLLKODWAPWZKEB-JGVFFNPUSA-N -1 1 306.351 0.056 20 0 DCADMM NC(=O)CCCCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001592727249 1167618486 /nfs/dbraw/zinc/61/84/86/1167618486.db2.gz PCGOZUVBQYTVHL-UHFFFAOYSA-N -1 1 304.310 0.351 20 0 DCADMM NC(=O)CCCCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001592727249 1167618489 /nfs/dbraw/zinc/61/84/89/1167618489.db2.gz PCGOZUVBQYTVHL-UHFFFAOYSA-N -1 1 304.310 0.351 20 0 DCADMM NC(=O)Nc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001592733297 1167621538 /nfs/dbraw/zinc/62/15/38/1167621538.db2.gz SFKPJCOXFIWYKO-UHFFFAOYSA-N -1 1 310.321 0.786 20 0 DCADMM NC(=O)Nc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592733297 1167621543 /nfs/dbraw/zinc/62/15/43/1167621543.db2.gz SFKPJCOXFIWYKO-UHFFFAOYSA-N -1 1 310.321 0.786 20 0 DCADMM NC(=O)c1cccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592736625 1167623784 /nfs/dbraw/zinc/62/37/84/1167623784.db2.gz GSORKHCQZHVBAB-UHFFFAOYSA-N -1 1 310.277 0.008 20 0 DCADMM NC(=O)c1cccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592736625 1167623787 /nfs/dbraw/zinc/62/37/87/1167623787.db2.gz GSORKHCQZHVBAB-UHFFFAOYSA-N -1 1 310.277 0.008 20 0 DCADMM NC(=O)c1ccc(CCn2ccc(-c3nn[n-]n3)cc2=O)cc1 ZINC001592737147 1167623921 /nfs/dbraw/zinc/62/39/21/1167623921.db2.gz BLWDNGVTUSGPSX-UHFFFAOYSA-N -1 1 310.317 0.370 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1onc2c1CCCC2 ZINC001592752922 1167631159 /nfs/dbraw/zinc/63/11/59/1167631159.db2.gz GSTYTRJTEKXWJR-UHFFFAOYSA-N -1 1 300.282 0.201 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc2ccccc2c(=O)o1 ZINC001592753353 1167632235 /nfs/dbraw/zinc/63/22/35/1167632235.db2.gz VRHKQABMKLACPJ-UHFFFAOYSA-N -1 1 323.272 0.440 20 0 DCADMM Nc1c(F)cc(F)cc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592754211 1167633146 /nfs/dbraw/zinc/63/31/46/1167633146.db2.gz DEUNRYABAXQVKA-UHFFFAOYSA-N -1 1 306.236 0.703 20 0 DCADMM Nc1c(F)cc(F)cc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592754211 1167633151 /nfs/dbraw/zinc/63/31/51/1167633151.db2.gz DEUNRYABAXQVKA-UHFFFAOYSA-N -1 1 306.236 0.703 20 0 DCADMM O=C(CCC1CCC1)NCCNc1nccnc1-c1nnn[n-]1 ZINC001592829662 1167647989 /nfs/dbraw/zinc/64/79/89/1167647989.db2.gz ASCLKYYKHMUNRW-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CCC1CCC1)NCCNc1nccnc1-c1nn[n-]n1 ZINC001592829662 1167647993 /nfs/dbraw/zinc/64/79/93/1167647993.db2.gz ASCLKYYKHMUNRW-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CCc1cn[nH]c1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592856749 1167651672 /nfs/dbraw/zinc/65/16/72/1167651672.db2.gz TZQSWDZTSXDIDU-UHFFFAOYSA-N -1 1 303.351 0.900 20 0 DCADMM O=C(CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)NCC1CC1 ZINC001592875117 1167654605 /nfs/dbraw/zinc/65/46/05/1167654605.db2.gz ZHLATYSMKSIYCI-UHFFFAOYSA-N -1 1 314.353 0.472 20 0 DCADMM O=C(CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)NCC1CC1 ZINC001592875117 1167654609 /nfs/dbraw/zinc/65/46/09/1167654609.db2.gz ZHLATYSMKSIYCI-UHFFFAOYSA-N -1 1 314.353 0.472 20 0 DCADMM O=C(COC1CC1)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001592885871 1167657852 /nfs/dbraw/zinc/65/78/52/1167657852.db2.gz NXGLNGZVSVFNKW-UHFFFAOYSA-N -1 1 316.321 0.452 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCc2ncccc21 ZINC001592915763 1167664569 /nfs/dbraw/zinc/66/45/69/1167664569.db2.gz SZBGTIFLRLAYJY-UHFFFAOYSA-N -1 1 307.317 0.789 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCc2ncccc21 ZINC001592915763 1167664573 /nfs/dbraw/zinc/66/45/73/1167664573.db2.gz SZBGTIFLRLAYJY-UHFFFAOYSA-N -1 1 307.317 0.789 20 0 DCADMM O=C(Cn1ccn2ncc(-c3nn[n-]n3)c12)Nc1ccccc1 ZINC001592938538 1167669353 /nfs/dbraw/zinc/66/93/53/1167669353.db2.gz ZQBZYCUEOTZXRQ-UHFFFAOYSA-N -1 1 308.305 0.955 20 0 DCADMM O=C(N[C@H](CO)Cc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592954021 1167673398 /nfs/dbraw/zinc/67/33/98/1167673398.db2.gz BUFWJQGHRFLJJE-ZDUSSCGKSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(N[C@H](CO)Cc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592954021 1167673403 /nfs/dbraw/zinc/67/34/03/1167673403.db2.gz BUFWJQGHRFLJJE-ZDUSSCGKSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(NCCC1(CO)CCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593059171 1167695008 /nfs/dbraw/zinc/69/50/08/1167695008.db2.gz QHAFPGSZIAQYGC-UHFFFAOYSA-N -1 1 317.353 0.936 20 0 DCADMM O=C(NCCC1(CO)CCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593059171 1167695012 /nfs/dbraw/zinc/69/50/12/1167695012.db2.gz QHAFPGSZIAQYGC-UHFFFAOYSA-N -1 1 317.353 0.936 20 0 DCADMM O=C(NCCCn1ccnc1)c1ccsc1-c1nnn[n-]1 ZINC001593082765 1167700060 /nfs/dbraw/zinc/70/00/60/1167700060.db2.gz SVUWMWBHVIJWGP-UHFFFAOYSA-N -1 1 303.351 0.945 20 0 DCADMM O=C(NCCCn1ccnc1)c1ccsc1-c1nn[n-]n1 ZINC001593082765 1167700065 /nfs/dbraw/zinc/70/00/65/1167700065.db2.gz SVUWMWBHVIJWGP-UHFFFAOYSA-N -1 1 303.351 0.945 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)C1CC=CC1 ZINC001593089114 1167702078 /nfs/dbraw/zinc/70/20/78/1167702078.db2.gz AAQCDIUUXFUACQ-UHFFFAOYSA-N -1 1 300.326 0.151 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)C1CC=CC1 ZINC001593089114 1167702087 /nfs/dbraw/zinc/70/20/87/1167702087.db2.gz AAQCDIUUXFUACQ-UHFFFAOYSA-N -1 1 300.326 0.151 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccnc2[nH]cnc21 ZINC001593146259 1167723665 /nfs/dbraw/zinc/72/36/65/1167723665.db2.gz MRCZSEOWFXYRDG-UHFFFAOYSA-N -1 1 321.304 0.463 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccnc2[nH]cnc21 ZINC001593146259 1167723672 /nfs/dbraw/zinc/72/36/72/1167723672.db2.gz MRCZSEOWFXYRDG-UHFFFAOYSA-N -1 1 321.304 0.463 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1csc(=O)[nH]1 ZINC001593146455 1167723742 /nfs/dbraw/zinc/72/37/42/1167723742.db2.gz PMEBGAJCGJYKEJ-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(NCc1cnn2ccccc12)c1ccnc(-c2nnn[n-]2)c1 ZINC001593152365 1167727767 /nfs/dbraw/zinc/72/77/67/1167727767.db2.gz LKXBNSUBVHAYIU-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(NCc1cnn2ccccc12)c1ccnc(-c2nn[n-]n2)c1 ZINC001593152365 1167727773 /nfs/dbraw/zinc/72/77/73/1167727773.db2.gz LKXBNSUBVHAYIU-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccnc(-n2ccnc2)c1 ZINC001593199317 1167735284 /nfs/dbraw/zinc/73/52/84/1167735284.db2.gz IZELTJAUYXTPMA-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CCc2cccc(O)c21 ZINC001593197214 1167736078 /nfs/dbraw/zinc/73/60/78/1167736078.db2.gz HGFWSCKLEMXSJL-MRVPVSSYSA-N -1 1 311.305 0.964 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CCc2cccc(O)c21 ZINC001593197214 1167736086 /nfs/dbraw/zinc/73/60/86/1167736086.db2.gz HGFWSCKLEMXSJL-MRVPVSSYSA-N -1 1 311.305 0.964 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@]12CCOC2 ZINC001593202492 1167738845 /nfs/dbraw/zinc/73/88/45/1167738845.db2.gz AZRBWEFKSMICIL-XPTSAGLGSA-N -1 1 301.306 0.937 20 0 DCADMM O=C(Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1)[C@H]1C[C@@H]1F ZINC001593252460 1167744001 /nfs/dbraw/zinc/74/40/01/1167744001.db2.gz HLRPNDRSQJERQH-YUMQZZPRSA-N -1 1 314.284 0.744 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1COc2ccccc2C1 ZINC001593261666 1167745745 /nfs/dbraw/zinc/74/57/45/1167745745.db2.gz ZFPULEQSIVEAGO-SECBINFHSA-N -1 1 311.305 0.780 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1COc2ccccc2C1 ZINC001593261667 1167746880 /nfs/dbraw/zinc/74/68/80/1167746880.db2.gz ZFPULEQSIVEAGO-VIFPVBQESA-N -1 1 311.305 0.780 20 0 DCADMM O=C(O[C@@H]1CCCNC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001593281689 1167757394 /nfs/dbraw/zinc/75/73/94/1167757394.db2.gz SPBLJWKWPWOJCA-SECBINFHSA-N -1 1 305.269 0.441 20 0 DCADMM O=C(O[C@@H]1CCCNC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001593281689 1167757400 /nfs/dbraw/zinc/75/74/00/1167757400.db2.gz SPBLJWKWPWOJCA-SECBINFHSA-N -1 1 305.269 0.441 20 0 DCADMM O=C(OCCOC1CCOCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593290996 1167763902 /nfs/dbraw/zinc/76/39/02/1167763902.db2.gz XNJCKQIRKGWKJL-UHFFFAOYSA-N -1 1 308.294 0.812 20 0 DCADMM O=C(OCCOC1CCOCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593290996 1167763911 /nfs/dbraw/zinc/76/39/11/1167763911.db2.gz XNJCKQIRKGWKJL-UHFFFAOYSA-N -1 1 308.294 0.812 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H]2CSC[C@@H]2C1 ZINC001593341754 1167781350 /nfs/dbraw/zinc/78/13/50/1167781350.db2.gz XRYDPJVHXZXPME-AOOOYVTPSA-N -1 1 302.363 0.697 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H]2CSC[C@@H]2C1 ZINC001593341754 1167781359 /nfs/dbraw/zinc/78/13/59/1167781359.db2.gz XRYDPJVHXZXPME-AOOOYVTPSA-N -1 1 302.363 0.697 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCn2cnnc2C1 ZINC001593350132 1167784881 /nfs/dbraw/zinc/78/48/81/1167784881.db2.gz KHVJENNYRIQWLX-UHFFFAOYSA-N -1 1 314.284 0.253 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCn2cnnc2C1 ZINC001593350132 1167784888 /nfs/dbraw/zinc/78/48/88/1167784888.db2.gz KHVJENNYRIQWLX-UHFFFAOYSA-N -1 1 314.284 0.253 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCO[C@@]2(CCOC2)C1 ZINC001593362512 1167788066 /nfs/dbraw/zinc/78/80/66/1167788066.db2.gz QVVJPRLUIRILFJ-ZDUSSCGKSA-N -1 1 321.362 0.560 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCO[C@@]2(CCOC2)C1 ZINC001593362512 1167788071 /nfs/dbraw/zinc/78/80/71/1167788071.db2.gz QVVJPRLUIRILFJ-ZDUSSCGKSA-N -1 1 321.362 0.560 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001593384645 1167793925 /nfs/dbraw/zinc/79/39/25/1167793925.db2.gz UASOZNGZRAUSOD-CYBMUJFWSA-N -1 1 318.362 0.280 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001593384645 1167793926 /nfs/dbraw/zinc/79/39/26/1167793926.db2.gz UASOZNGZRAUSOD-CYBMUJFWSA-N -1 1 318.362 0.280 20 0 DCADMM O=C1C[C@H]([C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CN1 ZINC001593383258 1167794734 /nfs/dbraw/zinc/79/47/34/1167794734.db2.gz QOKRDTWMADRWII-GXSJLCMTSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1C[C@H]([C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CN1 ZINC001593383258 1167794742 /nfs/dbraw/zinc/79/47/42/1167794742.db2.gz QOKRDTWMADRWII-GXSJLCMTSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1CCCN1C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001593392335 1167808346 /nfs/dbraw/zinc/80/83/46/1167808346.db2.gz CSXIVMKYENTQGY-UHFFFAOYSA-N -1 1 314.353 0.248 20 0 DCADMM O=C1CCCN1C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001593392335 1167808355 /nfs/dbraw/zinc/80/83/55/1167808355.db2.gz CSXIVMKYENTQGY-UHFFFAOYSA-N -1 1 314.353 0.248 20 0 DCADMM O=C(OC[C@H]1CCCC(=O)N1)c1sccc1-c1nn[n-]n1 ZINC001593395500 1167811298 /nfs/dbraw/zinc/81/12/98/1167811298.db2.gz PGOCADDFVAMSQW-SSDOTTSWSA-N -1 1 307.335 0.754 20 0 DCADMM O=C1NC2(CCC2)C(=O)N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593415160 1167827292 /nfs/dbraw/zinc/82/72/92/1167827292.db2.gz SIINWRWUGDAAPY-UHFFFAOYSA-N -1 1 305.323 0.298 20 0 DCADMM O=C1NC2(CCC2)C(=O)N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593415160 1167827304 /nfs/dbraw/zinc/82/73/04/1167827304.db2.gz SIINWRWUGDAAPY-UHFFFAOYSA-N -1 1 305.323 0.298 20 0 DCADMM O=S(=O)(N[C@H]1C=CCCC1)c1cccnc1-c1nn[n-]n1 ZINC001593433470 1167837788 /nfs/dbraw/zinc/83/77/88/1167837788.db2.gz FDGNTCSGZXAYTJ-VIFPVBQESA-N -1 1 306.351 0.649 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cccnc1-c1nn[n-]n1 ZINC001593433519 1167838031 /nfs/dbraw/zinc/83/80/31/1167838031.db2.gz FWWKLAHYZHBPCR-LPEHRKFASA-N -1 1 320.378 0.729 20 0 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/nfs/dbraw/zinc/41/05/40/1169410540.db2.gz JXKMHYYZWIJQMX-UHFFFAOYSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)c2ncnn21 ZINC001603854762 1169414355 /nfs/dbraw/zinc/41/43/55/1169414355.db2.gz RWPBPTAEABHTMH-NKWVEPMBSA-N -1 1 300.282 0.487 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)c2ncnn21 ZINC001603854762 1169414358 /nfs/dbraw/zinc/41/43/58/1169414358.db2.gz RWPBPTAEABHTMH-NKWVEPMBSA-N -1 1 300.282 0.487 20 0 DCADMM CC(C)Cn1[nH]c(CC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1=O ZINC001603854176 1169414867 /nfs/dbraw/zinc/41/48/67/1169414867.db2.gz WDWULYXNQLDKHC-GFCCVEGCSA-N -1 1 309.366 0.841 20 0 DCADMM C[C@@H]1CC[C@H](CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001603876232 1169419534 /nfs/dbraw/zinc/41/95/34/1169419534.db2.gz FMGCMTBQJYQIIB-ZJUUUORDSA-N -1 1 319.373 0.194 20 0 DCADMM C[C@@H]1CCCN(C(=O)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603898180 1169425490 /nfs/dbraw/zinc/42/54/90/1169425490.db2.gz GVSZSFZPEUVVTO-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM C[C@@H]1CCCN(C(=O)CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603898180 1169425495 /nfs/dbraw/zinc/42/54/95/1169425495.db2.gz GVSZSFZPEUVVTO-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM C[C@@H]1CCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C[C@H]1C ZINC001603910160 1169431193 /nfs/dbraw/zinc/43/11/93/1169431193.db2.gz GBGNUFXHHXCRRR-NXEZZACHSA-N -1 1 322.394 0.928 20 0 DCADMM C[C@@H]1Cn2ncnc2N(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001603929109 1169438349 /nfs/dbraw/zinc/43/83/49/1169438349.db2.gz YPWRPZLXIJNHAI-ZETCQYMHSA-N -1 1 316.350 0.816 20 0 DCADMM C[C@H]1COCC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001603945821 1169447109 /nfs/dbraw/zinc/44/71/09/1169447109.db2.gz CKIVEVMPSBNRQW-GXSJLCMTSA-N -1 1 303.322 0.978 20 0 DCADMM C[C@H]1COCC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001603945821 1169447142 /nfs/dbraw/zinc/44/71/42/1169447142.db2.gz CKIVEVMPSBNRQW-GXSJLCMTSA-N -1 1 303.322 0.978 20 0 DCADMM C[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603946377 1169447244 /nfs/dbraw/zinc/44/72/44/1169447244.db2.gz HWZBUYMAUCAAOE-RNFRBKRXSA-N -1 1 315.380 0.241 20 0 DCADMM C[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603946377 1169447248 /nfs/dbraw/zinc/44/72/48/1169447248.db2.gz HWZBUYMAUCAAOE-RNFRBKRXSA-N -1 1 315.380 0.241 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603962980 1169452852 /nfs/dbraw/zinc/45/28/52/1169452852.db2.gz OJOPPAQIZYUSAG-BNFOFFDWSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603962980 1169452857 /nfs/dbraw/zinc/45/28/57/1169452857.db2.gz OJOPPAQIZYUSAG-BNFOFFDWSA-N -1 1 314.353 0.318 20 0 DCADMM CCC(=O)NCCCN(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001603972831 1169459811 /nfs/dbraw/zinc/45/98/11/1169459811.db2.gz XOIONABNFOPAFJ-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCC(=O)NCCCN(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001603972831 1169459813 /nfs/dbraw/zinc/45/98/13/1169459813.db2.gz XOIONABNFOPAFJ-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCC(=O)NCC[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001603971339 1169459922 /nfs/dbraw/zinc/45/99/22/1169459922.db2.gz HKIKYWSQIPRZFI-MRVPVSSYSA-N -1 1 304.358 0.682 20 0 DCADMM CCC(=O)NCC[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001603971339 1169459923 /nfs/dbraw/zinc/45/99/23/1169459923.db2.gz HKIKYWSQIPRZFI-MRVPVSSYSA-N -1 1 304.358 0.682 20 0 DCADMM CC(C)c1cc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)n[nH]1 ZINC001603988035 1169465240 /nfs/dbraw/zinc/46/52/40/1169465240.db2.gz GKSXARIIWFCHSA-CQSZACIVSA-N -1 1 306.322 0.979 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001603994744 1169465405 /nfs/dbraw/zinc/46/54/05/1169465405.db2.gz HDTDJQVXMNSGFL-BDAKNGLRSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001603994744 1169465412 /nfs/dbraw/zinc/46/54/12/1169465412.db2.gz HDTDJQVXMNSGFL-BDAKNGLRSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@H](C)[C@H](C)C(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001603996500 1169468664 /nfs/dbraw/zinc/46/86/64/1169468664.db2.gz JSHRINZGOPKSAJ-UWVGGRQHSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@H](C)[C@H](C)C(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001603996500 1169468669 /nfs/dbraw/zinc/46/86/69/1169468669.db2.gz JSHRINZGOPKSAJ-UWVGGRQHSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H](CO)NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001604040141 1169477169 /nfs/dbraw/zinc/47/71/69/1169477169.db2.gz POTJRZOISOYWAS-QMMMGPOBSA-N -1 1 317.396 0.119 20 0 DCADMM CCC1(C(=O)NCCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001604080817 1169488357 /nfs/dbraw/zinc/48/83/57/1169488357.db2.gz OBJNMGRMHKXXPY-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CCC1(C(=O)NCCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001604080817 1169488372 /nfs/dbraw/zinc/48/83/72/1169488372.db2.gz OBJNMGRMHKXXPY-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CCC1(CC)CNC(=O)[C@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604085637 1169488541 /nfs/dbraw/zinc/48/85/41/1169488541.db2.gz YTQHVGYYDZIQTA-SNVBAGLBSA-N -1 1 318.337 0.494 20 0 DCADMM CCC1(CC)CNC(=O)[C@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604085637 1169488544 /nfs/dbraw/zinc/48/85/44/1169488544.db2.gz YTQHVGYYDZIQTA-SNVBAGLBSA-N -1 1 318.337 0.494 20 0 DCADMM CCC1(C(=O)NCCCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001604081373 1169488626 /nfs/dbraw/zinc/48/86/26/1169488626.db2.gz UGMDARBJFQOSRM-UHFFFAOYSA-N -1 1 316.369 0.187 20 0 DCADMM CC[C@H]1CCCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001604102996 1169491136 /nfs/dbraw/zinc/49/11/36/1169491136.db2.gz KTSLXMLNQNZXKZ-JTQLQIEISA-N -1 1 319.373 0.290 20 0 DCADMM CCCC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001604126007 1169499664 /nfs/dbraw/zinc/49/96/64/1169499664.db2.gz RXUNIQLERCYXKH-GDGBQDQQSA-N -1 1 314.353 0.008 20 0 DCADMM CCCC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001604120600 1169500538 /nfs/dbraw/zinc/50/05/38/1169500538.db2.gz VMLUDBGTQYBKMS-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001604120600 1169500543 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C[C@@H](CNC(=O)c1ccccc1C(=O)[O-])N1CCN(C)CC1 ZINC001604183938 1169517727 /nfs/dbraw/zinc/51/77/27/1169517727.db2.gz OUQNUSYWTUZVPW-LBPRGKRZSA-N -1 1 305.378 0.751 20 0 DCADMM CCCN1C[C@@H](CNc2cc(-c3nnn[n-]3)ncn2)CC1=O ZINC001604221264 1169529266 /nfs/dbraw/zinc/52/92/66/1169529266.db2.gz YNLFBSANAUGYJG-SECBINFHSA-N -1 1 302.342 0.327 20 0 DCADMM CCCN1C[C@@H](CNc2cc(-c3nn[n-]n3)ncn2)CC1=O ZINC001604221264 1169529275 /nfs/dbraw/zinc/52/92/75/1169529275.db2.gz YNLFBSANAUGYJG-SECBINFHSA-N -1 1 302.342 0.327 20 0 DCADMM CCCSCC(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001604236343 1169530125 /nfs/dbraw/zinc/53/01/25/1169530125.db2.gz RLPSNRLGLDRQEW-UHFFFAOYSA-N -1 1 322.398 0.328 20 0 DCADMM CCCSCC(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001604236343 1169530126 /nfs/dbraw/zinc/53/01/26/1169530126.db2.gz RLPSNRLGLDRQEW-UHFFFAOYSA-N -1 1 322.398 0.328 20 0 DCADMM CCCc1noc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001604247948 1169532478 /nfs/dbraw/zinc/53/24/78/1169532478.db2.gz MIMYULWCLSRNHR-UHFFFAOYSA-N -1 1 315.293 0.954 20 0 DCADMM CCCc1noc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001604247948 1169532485 /nfs/dbraw/zinc/53/24/85/1169532485.db2.gz MIMYULWCLSRNHR-UHFFFAOYSA-N -1 1 315.293 0.954 20 0 DCADMM C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)[C@@H]1CN(C)CCN1C ZINC001604263945 1169536935 /nfs/dbraw/zinc/53/69/35/1169536935.db2.gz BJVVEMMALJWWQZ-UDNWOHKBSA-N -1 1 323.437 0.772 20 0 DCADMM C[C@H](NC(=O)Cc1nnc[nH]1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604277701 1169543999 /nfs/dbraw/zinc/54/39/99/1169543999.db2.gz QYMJHLZKWAMMNK-JQWIXIFHSA-N -1 1 302.334 0.795 20 0 DCADMM C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CN(C)CCN1C ZINC001604278399 1169544737 /nfs/dbraw/zinc/54/47/37/1169544737.db2.gz YVTXHWCIRBSBIZ-WFASDCNBSA-N -1 1 319.405 0.678 20 0 DCADMM CCN(CCC1CC1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001604293300 1169549407 /nfs/dbraw/zinc/54/94/07/1169549407.db2.gz ASAUEEADEFULPH-UHFFFAOYSA-N -1 1 319.373 0.290 20 0 DCADMM C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(C(=O)[O-])co1 ZINC001604329304 1169553554 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/nfs/dbraw/zinc/90/31/00/1169903100.db2.gz LSZQPKVEQGFTQF-SNVBAGLBSA-N -1 1 322.394 0.523 20 0 DCADMM CS(=O)(=O)C[C@@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001605353551 1169903105 /nfs/dbraw/zinc/90/31/05/1169903105.db2.gz LSZQPKVEQGFTQF-SNVBAGLBSA-N -1 1 322.394 0.523 20 0 DCADMM CCCc1cc(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)n[nH]1 ZINC001605369835 1169906094 /nfs/dbraw/zinc/90/60/94/1169906094.db2.gz NQJPXELQVUWGTF-ZJUUUORDSA-N -1 1 309.322 0.308 20 0 DCADMM CSc1cccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC001605389267 1169909714 /nfs/dbraw/zinc/90/97/14/1169909714.db2.gz NDWPWOKZJDWWHS-UHFFFAOYSA-N -1 1 316.350 0.969 20 0 DCADMM CSc1cccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC001605389267 1169909719 /nfs/dbraw/zinc/90/97/19/1169909719.db2.gz NDWPWOKZJDWWHS-UHFFFAOYSA-N -1 1 316.350 0.969 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C=Cc2cn(C)cn2)nn1C ZINC001605464391 1169929298 /nfs/dbraw/zinc/92/92/98/1169929298.db2.gz GDIJOFFLZQKXTN-PLNGDYQASA-N -1 1 313.325 0.294 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C=Cc2cn(C)cn2)nn1C ZINC001605464391 1169929303 /nfs/dbraw/zinc/92/93/03/1169929303.db2.gz GDIJOFFLZQKXTN-PLNGDYQASA-N -1 1 313.325 0.294 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ncccc2F)nn1C ZINC001605468168 1169930015 /nfs/dbraw/zinc/93/00/15/1169930015.db2.gz LGPKDCGBROGQKK-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ncccc2F)nn1C ZINC001605468168 1169930018 /nfs/dbraw/zinc/93/00/18/1169930018.db2.gz LGPKDCGBROGQKK-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(CSC(C)C)c(=O)n1C1CC1 ZINC001605465917 1169930120 /nfs/dbraw/zinc/93/01/20/1169930120.db2.gz YBRIDBYNWKKTEK-UHFFFAOYSA-N -1 1 322.394 0.933 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)n1 ZINC001605560350 1169960682 /nfs/dbraw/zinc/96/06/82/1169960682.db2.gz XHOSLMRRVABVSI-BNMUBRSASA-N -1 1 319.394 0.455 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)n1 ZINC001605560350 1169960686 /nfs/dbraw/zinc/96/06/86/1169960686.db2.gz XHOSLMRRVABVSI-BNMUBRSASA-N -1 1 319.394 0.455 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[S@@](=O)C[C@H](C)C2)c1 ZINC001605564282 1169960719 /nfs/dbraw/zinc/96/07/19/1169960719.db2.gz RKWMPGSAFYUMRX-LADRHHBVSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[S@@](=O)C[C@H](C)C2)c1 ZINC001605564282 1169960723 /nfs/dbraw/zinc/96/07/23/1169960723.db2.gz RKWMPGSAFYUMRX-LADRHHBVSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC001605562704 1169960836 /nfs/dbraw/zinc/96/08/36/1169960836.db2.gz MHMOCUWUAZNHFF-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC001605562704 1169960841 /nfs/dbraw/zinc/96/08/41/1169960841.db2.gz MHMOCUWUAZNHFF-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)n1 ZINC001605573267 1169962554 /nfs/dbraw/zinc/96/25/54/1169962554.db2.gz WTRCFGIHPYVAGQ-BDAKNGLRSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)n1 ZINC001605573267 1169962569 /nfs/dbraw/zinc/96/25/69/1169962569.db2.gz WTRCFGIHPYVAGQ-BDAKNGLRSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccc(C(N)=O)nc2)n1 ZINC001605581782 1169964073 /nfs/dbraw/zinc/96/40/73/1169964073.db2.gz AHNCVUSTZOFPKZ-UHFFFAOYSA-N -1 1 311.309 0.071 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccc(C(N)=O)nc2)n1 ZINC001605581782 1169964079 /nfs/dbraw/zinc/96/40/79/1169964079.db2.gz AHNCVUSTZOFPKZ-UHFFFAOYSA-N -1 1 311.309 0.071 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2cnn(CCF)c2)n1 ZINC001605583804 1169965957 /nfs/dbraw/zinc/96/59/57/1169965957.db2.gz LFWMTIUMVXUJHA-UHFFFAOYSA-N -1 1 303.305 0.743 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2cnn(CCF)c2)n1 ZINC001605583804 1169965963 /nfs/dbraw/zinc/96/59/63/1169965963.db2.gz LFWMTIUMVXUJHA-UHFFFAOYSA-N -1 1 303.305 0.743 20 0 DCADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nn1C(C)C ZINC001605631285 1169978447 /nfs/dbraw/zinc/97/84/47/1169978447.db2.gz ZZOIVSLWLZYYHG-UHFFFAOYSA-N -1 1 315.341 0.938 20 0 DCADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nn1C(C)C ZINC001605631285 1169978449 /nfs/dbraw/zinc/97/84/49/1169978449.db2.gz ZZOIVSLWLZYYHG-UHFFFAOYSA-N -1 1 315.341 0.938 20 0 DCADMM Cc1cc(F)c(C(=O)Cn2cc(-c3nn[n-]n3)nn2)cc1F ZINC001605678439 1169986151 /nfs/dbraw/zinc/98/61/51/1169986151.db2.gz WLUDJGZRFDFMJW-UHFFFAOYSA-N -1 1 305.248 0.928 20 0 DCADMM Cc1cc(=O)[nH]c(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001605709109 1169990239 /nfs/dbraw/zinc/99/02/39/1169990239.db2.gz YJLZRWOTIUIQDX-UHFFFAOYSA-N -1 1 311.305 0.852 20 0 DCADMM Cc1cc(=O)[nH]c(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001605709109 1169990244 /nfs/dbraw/zinc/99/02/44/1169990244.db2.gz YJLZRWOTIUIQDX-UHFFFAOYSA-N -1 1 311.305 0.852 20 0 DCADMM CCS(=O)(=O)CCN1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC001605726895 1169994066 /nfs/dbraw/zinc/99/40/66/1169994066.db2.gz RFXRFMYJGSMGOL-RWMBFGLXSA-N -1 1 319.423 0.765 20 0 DCADMM Cc1cc(NC[C@H]2CCS(=O)(=O)C2)nc(-c2nnn[n-]2)c1 ZINC001605729377 1169994119 /nfs/dbraw/zinc/99/41/19/1169994119.db2.gz BEQDQRJYENGZBX-SECBINFHSA-N -1 1 308.367 0.417 20 0 DCADMM Cc1cc(NC[C@H]2CCS(=O)(=O)C2)nc(-c2nn[n-]n2)c1 ZINC001605729377 1169994123 /nfs/dbraw/zinc/99/41/23/1169994123.db2.gz BEQDQRJYENGZBX-SECBINFHSA-N -1 1 308.367 0.417 20 0 DCADMM CCc1[nH]c(C(=O)NC2(c3nn[nH]n3)CCC2)c(C)c1C(=O)[O-] ZINC001605765969 1169998889 /nfs/dbraw/zinc/99/88/89/1169998889.db2.gz XKVSGMDRROSVJO-UHFFFAOYSA-N -1 1 318.337 0.906 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N[C@H]1CS(=O)(=O)C[C@H]1C ZINC001605804037 1170007298 /nfs/dbraw/zinc/00/72/98/1170007298.db2.gz IABXGQBQQLGBLN-SCZZXKLOSA-N -1 1 308.367 0.415 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CS(=O)(=O)C[C@H]1C ZINC001605804037 1170007299 /nfs/dbraw/zinc/00/72/99/1170007299.db2.gz IABXGQBQQLGBLN-SCZZXKLOSA-N -1 1 308.367 0.415 20 0 DCADMM CCc1nc(CNC(=O)NCc2cc(C)c(C(=O)[O-])o2)n[nH]1 ZINC001605850659 1170012600 /nfs/dbraw/zinc/01/26/00/1170012600.db2.gz STTVMLMQQLEPOD-UHFFFAOYSA-N -1 1 307.310 0.966 20 0 DCADMM Cc1ccc(N(CCOCCO)C2CCC2)nc1-c1nnn[n-]1 ZINC001605866075 1170016322 /nfs/dbraw/zinc/01/63/22/1170016322.db2.gz INJYOQKFLIDKBU-UHFFFAOYSA-N -1 1 318.381 0.938 20 0 DCADMM Cc1ccc(N(CCOCCO)C2CCC2)nc1-c1nn[n-]n1 ZINC001605866075 1170016330 /nfs/dbraw/zinc/01/63/30/1170016330.db2.gz INJYOQKFLIDKBU-UHFFFAOYSA-N -1 1 318.381 0.938 20 0 DCADMM Cc1ccc(N2CCCS(=O)(=O)CC2)c(-c2nnn[n-]2)n1 ZINC001605867597 1170016659 /nfs/dbraw/zinc/01/66/59/1170016659.db2.gz RNRBVIVRZGEAQM-UHFFFAOYSA-N -1 1 308.367 0.195 20 0 DCADMM Cc1ccc(N2CCCS(=O)(=O)CC2)c(-c2nn[n-]n2)n1 ZINC001605867597 1170016661 /nfs/dbraw/zinc/01/66/61/1170016661.db2.gz RNRBVIVRZGEAQM-UHFFFAOYSA-N -1 1 308.367 0.195 20 0 DCADMM Cc1ccccc1C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001605933489 1170029459 /nfs/dbraw/zinc/02/94/59/1170029459.db2.gz RYOOXFYHTRXMFF-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1ccccc1C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001605933489 1170029468 /nfs/dbraw/zinc/02/94/68/1170029468.db2.gz RYOOXFYHTRXMFF-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1cccn2cc(Cn3cncc(-c4nnn[n-]4)c3=O)nc12 ZINC001605943732 1170030728 /nfs/dbraw/zinc/03/07/28/1170030728.db2.gz OFQRMZTWLOWQAS-UHFFFAOYSA-N -1 1 308.305 0.428 20 0 DCADMM Cc1cncc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001605983241 1170040366 /nfs/dbraw/zinc/04/03/66/1170040366.db2.gz WAWVZEAYLIOAOR-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1cncc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001605983241 1170040370 /nfs/dbraw/zinc/04/03/70/1170040370.db2.gz WAWVZEAYLIOAOR-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM CN(C)Cc1ccc(C(=O)Nc2cc(C(=O)[O-])nn2C)cn1 ZINC001606034019 1170060603 /nfs/dbraw/zinc/06/06/03/1170060603.db2.gz OUUGFAAOWIISHX-UHFFFAOYSA-N -1 1 303.322 0.827 20 0 DCADMM Cc1nc(C)c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001606038446 1170061629 /nfs/dbraw/zinc/06/16/29/1170061629.db2.gz CAMRDUNEXMWHII-UHFFFAOYSA-N -1 1 324.322 0.543 20 0 DCADMM CN(CC(=O)NC[C@@]1(C(=O)[O-])CCOC1)[C@H]1CCSC1 ZINC001606080889 1170071323 /nfs/dbraw/zinc/07/13/23/1170071323.db2.gz WVMPGBFLKWMLKI-GWCFXTLKSA-N -1 1 302.396 0.031 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1N=NC(=S)N1C ZINC001606168600 1170099711 /nfs/dbraw/zinc/09/97/11/1170099711.db2.gz KAMQMTIQJDIODP-UHFFFAOYSA-N -1 1 320.338 0.115 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1N=NC(=S)N1C ZINC001606168600 1170099715 /nfs/dbraw/zinc/09/97/15/1170099715.db2.gz KAMQMTIQJDIODP-UHFFFAOYSA-N -1 1 320.338 0.115 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)c1ncn(C)n1 ZINC001606167840 1170101011 /nfs/dbraw/zinc/10/10/11/1170101011.db2.gz YGHUQTMNIXCSDE-LURJTMIESA-N -1 1 302.298 0.388 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)c1ncn(C)n1 ZINC001606167840 1170101016 /nfs/dbraw/zinc/10/10/16/1170101016.db2.gz YGHUQTMNIXCSDE-LURJTMIESA-N -1 1 302.298 0.388 20 0 DCADMM Cc1onc(CC(=O)NCCCC2(O)CCC2)c1-c1nnn[n-]1 ZINC001606180146 1170104984 /nfs/dbraw/zinc/10/49/84/1170104984.db2.gz FGFIMVCQHVJRKQ-UHFFFAOYSA-N -1 1 320.353 0.517 20 0 DCADMM Cc1onc(CC(=O)NCCCC2(O)CCC2)c1-c1nn[n-]n1 ZINC001606180146 1170104988 /nfs/dbraw/zinc/10/49/88/1170104988.db2.gz FGFIMVCQHVJRKQ-UHFFFAOYSA-N -1 1 320.353 0.517 20 0 DCADMM CN1CCN(C)CCN(C(=O)Nc2ccc(C(=O)[O-])cn2)CC1 ZINC001606238447 1170132617 /nfs/dbraw/zinc/13/26/17/1170132617.db2.gz ZZMPIBPVZAGZFB-UHFFFAOYSA-N -1 1 321.381 0.491 20 0 DCADMM Cn1cc2c(n1)CCC[C@@H]2C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001606246223 1170135070 /nfs/dbraw/zinc/13/50/70/1170135070.db2.gz HCSOFEHXMCICGX-ZETCQYMHSA-N -1 1 313.325 0.139 20 0 DCADMM Cn1ccnc1CCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001606258058 1170138033 /nfs/dbraw/zinc/13/80/33/1170138033.db2.gz VENSRXRBKPHVGM-UHFFFAOYSA-N -1 1 313.321 0.785 20 0 DCADMM Cn1ccnc1CCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001606258058 1170138036 /nfs/dbraw/zinc/13/80/36/1170138036.db2.gz VENSRXRBKPHVGM-UHFFFAOYSA-N -1 1 313.321 0.785 20 0 DCADMM CNc1ncccc1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001606314833 1170156528 /nfs/dbraw/zinc/15/65/28/1170156528.db2.gz AARCWSFBAKANME-UHFFFAOYSA-N -1 1 306.366 0.744 20 0 DCADMM CNc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)nc1 ZINC001606310471 1170157040 /nfs/dbraw/zinc/15/70/40/1170157040.db2.gz ULAOCOCDCRHNRW-LLVKDONJSA-N -1 1 306.366 0.744 20 0 DCADMM COC(=O)[C@@H]1CCN(Cc2n[nH]c(C(C)C)n2)[C@@H](C(=O)[O-])C1 ZINC001606414295 1170191525 /nfs/dbraw/zinc/19/15/25/1170191525.db2.gz PCRNIORGZYHRJK-NXEZZACHSA-N -1 1 310.354 0.766 20 0 DCADMM NC(=O)C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001606418945 1170193035 /nfs/dbraw/zinc/19/30/35/1170193035.db2.gz KTVUPTRNIRXCNH-SNVBAGLBSA-N -1 1 310.321 0.685 20 0 DCADMM NC(=O)C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001606418945 1170193039 /nfs/dbraw/zinc/19/30/39/1170193039.db2.gz KTVUPTRNIRXCNH-SNVBAGLBSA-N -1 1 310.321 0.685 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@H]1C(=O)[O-] ZINC001606428049 1170197417 /nfs/dbraw/zinc/19/74/17/1170197417.db2.gz AGCLEODSTGMCSF-VXGBXAGGSA-N -1 1 309.366 0.944 20 0 DCADMM COC(=O)[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)C[C@H]1C(=O)[O-] ZINC001606428872 1170197540 /nfs/dbraw/zinc/19/75/40/1170197540.db2.gz HGUCTNOLTHQZED-BDAKNGLRSA-N -1 1 313.331 0.752 20 0 DCADMM COC(=O)[C@@H]1CNCCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001606431239 1170198770 /nfs/dbraw/zinc/19/87/70/1170198770.db2.gz IVIFHOHLIHBMLL-MALLOTDXSA-N -1 1 322.317 0.355 20 0 DCADMM COC(=O)C[C@@H](NC(=O)c1cccc2nc(C)[nH]c21)C(=O)[O-] ZINC001606442478 1170203186 /nfs/dbraw/zinc/20/31/86/1170203186.db2.gz UMYBQQUANLMOHP-SNVBAGLBSA-N -1 1 305.290 0.617 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@H]1C(=O)Nc2ccccc21 ZINC001606444847 1170204795 /nfs/dbraw/zinc/20/47/95/1170204795.db2.gz DHZPXFPTPKCAFV-MRVPVSSYSA-N -1 1 324.304 0.412 20 0 DCADMM Nc1n[nH]c(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC001606452181 1170209543 /nfs/dbraw/zinc/20/95/43/1170209543.db2.gz GCCDZMOOPNZQRJ-UHFFFAOYSA-N -1 1 306.721 0.270 20 0 DCADMM Nc1n[nH]c(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC001606452181 1170209546 /nfs/dbraw/zinc/20/95/46/1170209546.db2.gz GCCDZMOOPNZQRJ-UHFFFAOYSA-N -1 1 306.721 0.270 20 0 DCADMM O=C(C=Cc1cccs1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001606487223 1170219034 /nfs/dbraw/zinc/21/90/34/1170219034.db2.gz KAXNFCAOJSDJJC-ARJAWSKDSA-N -1 1 316.350 0.349 20 0 DCADMM O=C(CC1CC1)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001606493193 1170219471 /nfs/dbraw/zinc/21/94/71/1170219471.db2.gz HZDCASLIRYJELX-UPHRSURJSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(CC1CC1)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001606493193 1170219477 /nfs/dbraw/zinc/21/94/77/1170219477.db2.gz HZDCASLIRYJELX-UPHRSURJSA-N -1 1 314.353 0.541 20 0 DCADMM COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001606505900 1170223185 /nfs/dbraw/zinc/22/31/85/1170223185.db2.gz MQJJCNJNVFVPQG-HOSYDEDBSA-N -1 1 323.349 0.501 20 0 DCADMM O=C(CCn1ccnc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606539264 1170230525 /nfs/dbraw/zinc/23/05/25/1170230525.db2.gz ALXXMPWHSZOPOM-UHFFFAOYSA-N -1 1 304.339 0.226 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCC1CCCCC1 ZINC001606620734 1170244704 /nfs/dbraw/zinc/24/47/04/1170244704.db2.gz 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DCADMM O=C(CN[C@H]1CCO[C@H]1C(=O)[O-])Nc1nc2c(s1)CCC2 ZINC001608341073 1170655383 /nfs/dbraw/zinc/65/53/83/1170655383.db2.gz VSNDIMHAIVRYQD-GZMMTYOYSA-N -1 1 311.363 0.402 20 0 DCADMM O=C(Cc1nnc(C2CCOCC2)[nH]1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001608371941 1170661172 /nfs/dbraw/zinc/66/11/72/1170661172.db2.gz YWTKCCKBSCVIRD-MGCOHNPYSA-N -1 1 308.338 0.221 20 0 DCADMM O=C([O-])[C@@H]1OCC[C@@H]1N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC001608406243 1170670940 /nfs/dbraw/zinc/67/09/40/1170670940.db2.gz JGMWQPVAOGHVEY-MELADBBJSA-N -1 1 304.346 0.838 20 0 DCADMM O=C([O-])c1ccc(CCNC(=O)NCCN2CC[C@H](O)C2)cc1 ZINC001608451333 1170682044 /nfs/dbraw/zinc/68/20/44/1170682044.db2.gz MBYWCAAIGHZXIK-AWEZNQCLSA-N -1 1 321.377 0.293 20 0 DCADMM O=C([O-])c1cccc(CCNC(=O)NC[C@@H]2COCCN2)c1 ZINC001608451751 1170683013 /nfs/dbraw/zinc/68/30/13/1170683013.db2.gz LYQOMOJKGMBGIB-CYBMUJFWSA-N -1 1 307.350 0.215 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc2n(n1)CCCC2=O ZINC001608486155 1170689143 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O=C([O-])c1coc(C(=O)Nc2nn[nH]c2C(=O)NC2CC2)c1 ZINC001608986580 1170781118 /nfs/dbraw/zinc/78/11/18/1170781118.db2.gz MTSFNYRWEDZORR-UHFFFAOYSA-N -1 1 305.250 0.240 20 0 DCADMM O=C([O-])c1nc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cs1 ZINC001608995236 1170782673 /nfs/dbraw/zinc/78/26/73/1170782673.db2.gz NMRKUADHZZDMMK-ZCFIWIBFSA-N -1 1 308.323 0.374 20 0 DCADMM CC(C)(C)N1C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CC1=O ZINC001609075700 1170799936 /nfs/dbraw/zinc/79/99/36/1170799936.db2.gz CDFIPOWMOVIUGQ-QMMMGPOBSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(C)N1C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CC1=O ZINC001609075700 1170799941 /nfs/dbraw/zinc/79/99/41/1170799941.db2.gz CDFIPOWMOVIUGQ-QMMMGPOBSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC001609083417 1170802401 /nfs/dbraw/zinc/80/24/01/1170802401.db2.gz DTAFHWASIQRHFM-UHFFFAOYSA-N -1 1 304.358 0.401 20 0 DCADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)N(C)C ZINC001609088587 1170804197 /nfs/dbraw/zinc/80/41/97/1170804197.db2.gz 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ZINC001718781526 1183357563 /nfs/dbraw/zinc/35/75/63/1183357563.db2.gz FMPWYZGWEQKRLB-JVOXIWMLSA-N -1 1 321.377 0.645 20 0 DCADMM COc1ccc(C=C2SC(=O)[N-]C2=O)cc1OCC(N)=O ZINC000169341015 1183516897 /nfs/dbraw/zinc/51/68/97/1183516897.db2.gz HBSZIOAQHMMESL-YHYXMXQVSA-N -1 1 308.315 0.883 20 0 DCADMM O=C(Cn1cccn1)NC/C=C/CNC(=O)c1ncccc1[O-] ZINC001721792219 1184042006 /nfs/dbraw/zinc/04/20/06/1184042006.db2.gz ASVHNOAWDMABMK-OWOJBTEDSA-N -1 1 315.333 0.086 20 0 DCADMM CS[C@H](C)C(=O)NC/C=C\CNC(=O)c1ncccc1[O-] ZINC001721801947 1184048465 /nfs/dbraw/zinc/04/84/65/1184048465.db2.gz VUZOVBOAZLNCPE-UMBAGQNISA-N -1 1 309.391 0.941 20 0 DCADMM O=C(C[C@H]1C=CCC1)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001723269696 1184278295 /nfs/dbraw/zinc/27/82/95/1184278295.db2.gz BWACCGFNMKAYLN-CMPLNLGQSA-N -1 1 305.382 0.851 20 0 DCADMM O=C([C@H]1CCCOC1)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001724700071 1184526474 /nfs/dbraw/zinc/52/64/74/1184526474.db2.gz PSMVEMPITSLPIR-NEPJUHHUSA-N -1 1 323.397 0.265 20 0 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O=C([C@@H]1CCCOCC1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045015438 752998220 /nfs/dbraw/zinc/99/82/20/752998220.db2.gz AZQHJOWCYIOCDW-NEPJUHHUSA-N -1 1 323.397 0.408 20 0 DCADMM C[C@@H](CCNC(=O)c1n[nH]cc1F)NC(=O)c1ncccc1[O-] ZINC001078248088 753136726 /nfs/dbraw/zinc/13/67/26/753136726.db2.gz ZXUMLXDPXIAECA-QMMMGPOBSA-N -1 1 321.312 0.588 20 0 DCADMM CCn1cccc1C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045312167 753141972 /nfs/dbraw/zinc/14/19/72/753141972.db2.gz DMBDEWPDHLSZRR-NSHDSACASA-N -1 1 318.381 0.726 20 0 DCADMM C/C=C(\C)C(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078371666 753207294 /nfs/dbraw/zinc/20/72/94/753207294.db2.gz GFYINKDMUIMCIM-LFJXOHPOSA-N -1 1 309.370 0.184 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078474003 753256796 /nfs/dbraw/zinc/25/67/96/753256796.db2.gz QONWPJXPQMVWCS-IJLUTSLNSA-N -1 1 323.397 0.264 20 0 DCADMM O=C(N[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2)c1ccc[nH]1 ZINC001078554334 753290590 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CC[C@H](F)CN1CC[C@@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001046454984 753730836 /nfs/dbraw/zinc/73/08/36/753730836.db2.gz UGPBPWYXNNXPIV-ISVAXAHUSA-N -1 1 313.333 0.225 20 0 DCADMM COCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071951926 762251897 /nfs/dbraw/zinc/25/18/97/762251897.db2.gz FSKDCIRLQNJOMP-WDEREUQCSA-N -1 1 307.350 0.400 20 0 DCADMM CCC[C@@H](CC)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001113470149 762312802 /nfs/dbraw/zinc/31/28/02/762312802.db2.gz JTXFTWXTGFMDAK-GFCCVEGCSA-N -1 1 309.414 0.579 20 0 DCADMM CCOCC(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062839114 755000449 /nfs/dbraw/zinc/00/04/49/755000449.db2.gz IITIEOJZLKVKTO-UHFFFAOYSA-N -1 1 307.350 0.592 20 0 DCADMM O=C(NC[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1)C(F)F ZINC001065074124 755670979 /nfs/dbraw/zinc/67/09/79/755670979.db2.gz TUVIPLJFMKFPFP-MRVPVSSYSA-N -1 1 315.276 0.010 20 0 DCADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1ccccc1 ZINC001079369275 755812702 /nfs/dbraw/zinc/81/27/02/755812702.db2.gz SMVVYQLOJBUTRB-DGCLKSJQSA-N -1 1 315.377 0.359 20 0 DCADMM C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079609667 755923173 /nfs/dbraw/zinc/92/31/73/755923173.db2.gz QNDKLNBSYUWDIZ-VXGBXAGGSA-N -1 1 318.377 0.070 20 0 DCADMM COC[C@@H](C)N1CC2(C1)CN(C(=O)c1ncccc1[O-])CCO2 ZINC001053232226 755965867 /nfs/dbraw/zinc/96/58/67/755965867.db2.gz JBKLDYZWZVSGSX-GFCCVEGCSA-N -1 1 321.377 0.349 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccncc2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054333890 756440766 /nfs/dbraw/zinc/44/07/66/756440766.db2.gz UVZLCIQDNXEAOC-KOLCDFICSA-N -1 1 302.338 0.156 20 0 DCADMM C[C@H]1CN(C(=O)c2ccsc2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054366255 756454254 /nfs/dbraw/zinc/45/42/54/756454254.db2.gz KNCGDALYAOFSGZ-WPRPVWTQSA-N -1 1 307.379 0.822 20 0 DCADMM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](NCc3ccn(C)n3)C2)c1[O-] ZINC001054566775 756544181 /nfs/dbraw/zinc/54/41/81/756544181.db2.gz BRJAPTFGIZXWBJ-SKDRFNHKSA-N -1 1 318.381 0.408 20 0 DCADMM 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C[C@@H](F)CCN1CCOC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001050891718 758215377 /nfs/dbraw/zinc/21/53/77/758215377.db2.gz QQLLBMCQYVPWPJ-VXGBXAGGSA-N -1 1 311.357 0.966 20 0 DCADMM CN(C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)c1nn[n-]n1 ZINC000826588658 758832002 /nfs/dbraw/zinc/83/20/02/758832002.db2.gz FBHOWKLNQAEHLY-SNVBAGLBSA-N -1 1 304.285 0.355 20 0 DCADMM O=C(CNc1ccccc1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000827967892 758903567 /nfs/dbraw/zinc/90/35/67/758903567.db2.gz MYWAXTLLLRODSS-LLVKDONJSA-N -1 1 322.756 0.865 20 0 DCADMM CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1cccs1 ZINC001085467168 758915588 /nfs/dbraw/zinc/91/55/88/758915588.db2.gz LUQMGCKAFIIUCP-SNVBAGLBSA-N -1 1 321.406 0.516 20 0 DCADMM CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1CC1(C)C ZINC001085551844 759039227 /nfs/dbraw/zinc/03/92/27/759039227.db2.gz LIJJQQNDELADJB-QWRGUYRKSA-N -1 1 307.398 0.187 20 0 DCADMM CN(C[C@@H]1CCN1[C@@H]1CCN(C)C1=O)C(=O)c1ncccc1[O-] ZINC001085561829 759043748 /nfs/dbraw/zinc/04/37/48/759043748.db2.gz 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/nfs/dbraw/zinc/86/93/19/767869319.db2.gz WTWUSFUTQRSKLY-UHFFFAOYSA-N -1 1 308.390 0.977 20 0 DCADMM CCCc1nc(C)c(C(=O)NCCNCc2n[nH]c(=O)[n-]2)o1 ZINC001147940183 767876343 /nfs/dbraw/zinc/87/63/43/767876343.db2.gz QAJLFOBPGWEAHC-UHFFFAOYSA-N -1 1 308.342 0.279 20 0 DCADMM O=C(Cc1nn[n-]n1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000169861585 760260186 /nfs/dbraw/zinc/26/01/86/760260186.db2.gz DSFUYAIRTAMOIM-QPJJXVBHSA-N -1 1 312.377 0.600 20 0 DCADMM Cc1cc(=O)n(-c2ccc(C(=O)N3C[C@@H]4C[C@H]3C(=O)O4)cc2)[n-]1 ZINC001148333028 767962399 /nfs/dbraw/zinc/96/23/99/767962399.db2.gz KMYXRKXNEPNJNU-STQMWFEESA-N -1 1 313.313 0.939 20 0 DCADMM Cc1cc(=O)n(-c2ccc(C(=O)NC[C@H]3CNC(=O)O3)cc2)[n-]1 ZINC001148345060 767967328 /nfs/dbraw/zinc/96/73/28/767967328.db2.gz UEPGAPWJVROJNW-LBPRGKRZSA-N -1 1 316.317 0.637 20 0 DCADMM NC(=O)c1ccccc1C(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001148525437 768001462 /nfs/dbraw/zinc/00/14/62/768001462.db2.gz MHDHQZDHDRASCO-UHFFFAOYSA-N -1 1 303.234 0.637 20 0 DCADMM 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QKAFXIOKVNJVKW-JKUQZMGJSA-N -1 1 316.774 0.663 20 0 DCADMM CC(C)(CNC(N)=O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001570921140 948615552 /nfs/dbraw/zinc/61/55/52/948615552.db2.gz OXQXVCQSHMVIAS-UHFFFAOYSA-N -1 1 316.778 0.835 20 0 DCADMM CC(C)(CNC(N)=O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001570921140 948615554 /nfs/dbraw/zinc/61/55/54/948615554.db2.gz OXQXVCQSHMVIAS-UHFFFAOYSA-N -1 1 316.778 0.835 20 0 DCADMM Cc1nn(CC(=O)C2CCOCC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001570921449 948620125 /nfs/dbraw/zinc/62/01/25/948620125.db2.gz AUISMIYSLOOTTJ-UHFFFAOYSA-N -1 1 318.337 0.036 20 0 DCADMM CC(C)C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001570921428 948620510 /nfs/dbraw/zinc/62/05/10/948620510.db2.gz ZSYSDJOZLGGXOK-UHFFFAOYSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001570921428 948620513 /nfs/dbraw/zinc/62/05/13/948620513.db2.gz ZSYSDJOZLGGXOK-UHFFFAOYSA-N -1 1 316.369 0.714 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CCOc1cccc(F)c1 ZINC001570921889 948630053 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ZINC001362433938 959348282 /nfs/dbraw/zinc/34/82/82/959348282.db2.gz FMCDKQCAIHSJFU-UHFFFAOYSA-N -1 1 315.333 0.258 20 0 DCADMM O=C(CCCc1nn[n-]n1)NC[C@@H](O)CCc1ccccc1 ZINC001362462218 959404104 /nfs/dbraw/zinc/40/41/04/959404104.db2.gz LJVFBWRJSJOJBP-ZDUSSCGKSA-N -1 1 303.366 0.632 20 0 DCADMM CC(=O)OC[C@H](CO)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001362466107 959409586 /nfs/dbraw/zinc/40/95/86/959409586.db2.gz JCWNCHWRAUSMAN-VIFPVBQESA-N -1 1 322.292 0.733 20 0 DCADMM Cn1nc([C@H]2CCCOC2)cc1NC(=O)CCc1nn[n-]n1 ZINC001362494441 959462909 /nfs/dbraw/zinc/46/29/09/959462909.db2.gz NWRTXYOEIVHPFX-VIFPVBQESA-N -1 1 305.342 0.399 20 0 DCADMM CCC(CC)(NC(=O)[C@H]1CCCCS1(=O)=O)c1nn[n-]n1 ZINC001362493120 959463400 /nfs/dbraw/zinc/46/34/00/959463400.db2.gz BFSNMLCNHPPEKA-SECBINFHSA-N -1 1 315.399 0.299 20 0 DCADMM C[C@H](NC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1)c1nnc[nH]1 ZINC001573620566 959503717 /nfs/dbraw/zinc/50/37/17/959503717.db2.gz DJIPVHOBZXGYGB-YIRRWDMUSA-N -1 1 323.353 0.577 20 0 DCADMM C[C@H](CCNC(=O)c1ncccc1[O-])NCc1cnsn1 ZINC001492012407 959505264 /nfs/dbraw/zinc/50/52/64/959505264.db2.gz IYDGDWZLLLCIPG-SECBINFHSA-N -1 1 307.379 0.937 20 0 DCADMM CCC(CC)NC(=O)CN(C)CCNC(=O)c1ncccc1[O-] ZINC001377139377 959552891 /nfs/dbraw/zinc/55/28/91/959552891.db2.gz GFJNQXRZOCYLBV-UHFFFAOYSA-N -1 1 322.409 0.754 20 0 DCADMM O=C(CCc1nn[n-]n1)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001362544300 959564133 /nfs/dbraw/zinc/56/41/33/959564133.db2.gz YCOFGZKIXZNZGC-ZYHUDNBSSA-N -1 1 302.338 0.564 20 0 DCADMM O=C(c1ccc(CO)c(F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001362546562 959571723 /nfs/dbraw/zinc/57/17/23/959571723.db2.gz XWSXLYJCERYYNB-JTQLQIEISA-N -1 1 305.313 0.851 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCc1nccc(C(F)(F)F)n1 ZINC001362561108 959601143 /nfs/dbraw/zinc/60/11/43/959601143.db2.gz VGCFHVGHPSXKPY-UHFFFAOYSA-N -1 1 315.259 0.648 20 0 DCADMM CCC(CC)CN1CC(O)(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001368291749 959622033 /nfs/dbraw/zinc/62/20/33/959622033.db2.gz UYECIYXBCPYKNC-UHFFFAOYSA-N -1 1 310.398 0.636 20 0 DCADMM CCC(CC)(NC(=O)C[N@H+](C)[C@H]1CCSC1)c1nnn[n-]1 ZINC001362626636 959722567 /nfs/dbraw/zinc/72/25/67/959722567.db2.gz SLIIEMQXLINIHF-JTQLQIEISA-N -1 1 312.443 0.769 20 0 DCADMM CCC(CC)(NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1nnn[n-]1 ZINC001362626636 959722580 /nfs/dbraw/zinc/72/25/80/959722580.db2.gz SLIIEMQXLINIHF-JTQLQIEISA-N -1 1 312.443 0.769 20 0 DCADMM COC(=O)C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)[O-] ZINC000214192808 959729693 /nfs/dbraw/zinc/72/96/93/959729693.db2.gz FGQQQOOHUFKUMA-MRVPVSSYSA-N -1 1 301.682 0.792 20 0 DCADMM CC(C)c1nc([C@H]2COCCN2C(=O)CCc2nn[n-]n2)no1 ZINC001362650648 959770970 /nfs/dbraw/zinc/77/09/70/959770970.db2.gz QFYTWDYSMZLOPE-SECBINFHSA-N -1 1 321.341 0.239 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](n2cc(C)cn2)C1 ZINC001362666289 959797516 /nfs/dbraw/zinc/79/75/16/959797516.db2.gz GGIXTXXYCGVKLM-VIFPVBQESA-N -1 1 319.321 0.489 20 0 DCADMM CCO[C@H](C)C(=O)NCCCN(C)C(=O)c1ncccc1[O-] ZINC001492283928 959800635 /nfs/dbraw/zinc/80/06/35/959800635.db2.gz RAXIGOHMXWQJTB-LLVKDONJSA-N -1 1 309.366 0.791 20 0 DCADMM Cc1cc(C2(C(=O)N3CCSC[C@H]3c3nn[n-]n3)CC2)on1 ZINC001362676575 959812546 /nfs/dbraw/zinc/81/25/46/959812546.db2.gz YZMUEHRJMMICLH-VIFPVBQESA-N -1 1 320.378 0.844 20 0 DCADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC2(COC(=O)N2)CC1 ZINC001362684927 959826016 /nfs/dbraw/zinc/82/60/16/959826016.db2.gz FQNXVRVIFSYTLY-UHFFFAOYSA-N -1 1 318.333 0.774 20 0 DCADMM CSCC[C@H](NC(=O)c1cc(C(C)=O)c[nH]1)c1nn[n-]n1 ZINC001362685832 959829912 /nfs/dbraw/zinc/82/99/12/959829912.db2.gz HGMWRVBTZZTOKZ-VIFPVBQESA-N -1 1 308.367 0.955 20 0 DCADMM COC[C@@H](C)C(=O)NCCCN(C)C(=O)c1ncccc1[O-] ZINC001492295194 959862230 /nfs/dbraw/zinc/86/22/30/959862230.db2.gz RFMIAUWIXXMEDV-LLVKDONJSA-N -1 1 309.366 0.648 20 0 DCADMM COCC1(NC(=O)CNC(=O)c2ncccc2[O-])CCCCC1 ZINC001362709584 959868047 /nfs/dbraw/zinc/86/80/47/959868047.db2.gz WZBYJURHBGTWKG-UHFFFAOYSA-N -1 1 321.377 0.983 20 0 DCADMM O=C(C[C@H]1CCC(=O)NC1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001362717051 959881586 /nfs/dbraw/zinc/88/15/86/959881586.db2.gz SQYNUYYQTFZBFW-QMTHXVAHSA-N -1 1 314.349 0.322 20 0 DCADMM NC(=O)N[C@@H](CO)C(=O)Nc1cccc([O-])c1Br ZINC001362718287 959882294 /nfs/dbraw/zinc/88/22/94/959882294.db2.gz UIXUDLAPSMJUBV-LURJTMIESA-N -1 1 318.127 0.122 20 0 DCADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)N(C)Cc1nnc[nH]1 ZINC000226475855 959886300 /nfs/dbraw/zinc/88/63/00/959886300.db2.gz FBVUNBCPTPVTAK-UHFFFAOYSA-N -1 1 316.364 0.694 20 0 DCADMM CN(C(=O)c1cc2c(cc1Cl)NC(=O)CO2)c1nn[n-]n1 ZINC001362720633 959888241 /nfs/dbraw/zinc/88/82/41/959888241.db2.gz SEAOCESMCQGXOF-UHFFFAOYSA-N -1 1 308.685 0.461 20 0 DCADMM COC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc([O-])cn1 ZINC001362747823 959925285 /nfs/dbraw/zinc/92/52/85/959925285.db2.gz QEWMPQWZRCNRFX-ZDUSSCGKSA-N -1 1 301.302 0.696 20 0 DCADMM COCC[C@]1(NC(=O)c2cnc(SC)[n-]c2=O)CCOC1 ZINC001362755711 959938740 /nfs/dbraw/zinc/93/87/40/959938740.db2.gz GZJDSSRCSRISKL-ZDUSSCGKSA-N -1 1 313.379 0.830 20 0 DCADMM COC(=O)CCNC(=O)CCNC(=O)c1ccc(F)c([O-])c1 ZINC001362760644 959947552 /nfs/dbraw/zinc/94/75/52/959947552.db2.gz XWXJJERDXBJIDE-UHFFFAOYSA-N -1 1 312.297 0.331 20 0 DCADMM Cc1noc(Cl)c1CC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001362761947 959950774 /nfs/dbraw/zinc/95/07/74/959950774.db2.gz QQEKWQXCNQIYHM-QMMMGPOBSA-N -1 1 312.717 0.292 20 0 DCADMM CCC(CC)(NC(=O)c1cnn2c1OCCC2)c1nn[n-]n1 ZINC001362783502 959979345 /nfs/dbraw/zinc/97/93/45/959979345.db2.gz IBCGRLJFTIMJQH-UHFFFAOYSA-N -1 1 305.342 0.624 20 0 DCADMM CCOC(=O)c1cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)[nH]c1C ZINC001362804007 960011026 /nfs/dbraw/zinc/01/10/26/960011026.db2.gz ALOANJCADZTBPW-VIFPVBQESA-N -1 1 318.337 0.643 20 0 DCADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001362808661 960022238 /nfs/dbraw/zinc/02/22/38/960022238.db2.gz COCCNKZUSBIXAK-STQMWFEESA-N -1 1 308.309 0.651 20 0 DCADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H]1CCN(C(N)=O)C1 ZINC001362810293 960023924 /nfs/dbraw/zinc/02/39/24/960023924.db2.gz JYZXYDGLWBAMQO-SNVBAGLBSA-N -1 1 321.381 0.744 20 0 DCADMM Cn1ccn2c(CNC(=O)c3cc(F)ccc3[O-])nnc2c1=O ZINC001303175450 960041814 /nfs/dbraw/zinc/04/18/14/960041814.db2.gz HJXIQYXTOPTKQN-UHFFFAOYSA-N -1 1 317.280 0.203 20 0 DCADMM COC[C@H](NC(=O)C(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC001303578061 960052678 /nfs/dbraw/zinc/05/26/78/960052678.db2.gz IRZCMCXOAFJYHV-VIFPVBQESA-N -1 1 309.713 0.540 20 0 DCADMM COC[C@H](NC(=O)c1cc2ccccc2n1C)c1nn[n-]n1 ZINC001303578258 960053181 /nfs/dbraw/zinc/05/31/81/960053181.db2.gz LXYBHEAUZWLJFR-JTQLQIEISA-N -1 1 300.322 0.809 20 0 DCADMM COc1cnc(C(C)(C)NC(=O)c2ccc(C=O)[nH]2)[n-]c1=O ZINC001303978776 960072481 /nfs/dbraw/zinc/07/24/81/960072481.db2.gz DBLWFCBQSBWYMS-UHFFFAOYSA-N -1 1 304.306 0.997 20 0 DCADMM CC(=O)Nc1ccc(C(=O)NC2(c3nn[n-]n3)CCC2)cc1 ZINC001362851338 960087124 /nfs/dbraw/zinc/08/71/24/960087124.db2.gz QICJDTZSAHLNSP-UHFFFAOYSA-N -1 1 300.322 0.967 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2[nH]nc(C)c2C)o1 ZINC001362851132 960088326 /nfs/dbraw/zinc/08/83/26/960088326.db2.gz RCWYCWGRICFAJZ-UHFFFAOYSA-N -1 1 312.351 0.458 20 0 DCADMM CCC(CC)(NC(=O)c1ccc(C(N)=O)cn1)c1nn[n-]n1 ZINC001362855059 960092091 /nfs/dbraw/zinc/09/20/91/960092091.db2.gz KBRLDOKIZLBACS-UHFFFAOYSA-N -1 1 303.326 0.139 20 0 DCADMM CCC(CC)(NC(=O)[C@@H]1CCc2n[nH]cc2C1)c1nn[n-]n1 ZINC001362855975 960094517 /nfs/dbraw/zinc/09/45/17/960094517.db2.gz KSQFGOSXMCEXNY-SECBINFHSA-N -1 1 303.370 0.859 20 0 DCADMM CS(=O)(=O)NC[C@H]1CCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001362867206 960109736 /nfs/dbraw/zinc/10/97/36/960109736.db2.gz RHYVLJZTFKHZTP-SECBINFHSA-N -1 1 316.354 0.543 20 0 DCADMM Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)NN1CC(=O)[N-]C1=O)C2 ZINC001306328992 960126999 /nfs/dbraw/zinc/12/69/99/960126999.db2.gz ROFZCAYFLLBBIH-HNNXBMFYSA-N -1 1 317.301 0.050 20 0 DCADMM C[C@@H]1CN(C(=O)COC(C)(C)C)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001368665364 960137191 /nfs/dbraw/zinc/13/71/91/960137191.db2.gz RYRAUWRZFYDRTH-ZJUUUORDSA-N -1 1 311.386 0.262 20 0 DCADMM O=C(CCc1ccc(=O)[nH]c1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001362910057 960164876 /nfs/dbraw/zinc/16/48/76/960164876.db2.gz ZDCXIOPRMPIFBF-GFCCVEGCSA-N -1 1 316.365 0.714 20 0 DCADMM COC[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1nn[n-]n1 ZINC001362910648 960166674 /nfs/dbraw/zinc/16/66/74/960166674.db2.gz QALNLEIXUFHKTI-GXSJLCMTSA-N -1 1 316.321 0.129 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cc(C)[nH]c(=O)c2)n[n-]1 ZINC001362930959 960189727 /nfs/dbraw/zinc/18/97/27/960189727.db2.gz DKGIITUOIZZWCX-QMMMGPOBSA-N -1 1 319.321 0.881 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cc(C)[nH]c(=O)c2)[n-]1 ZINC001362930959 960189740 /nfs/dbraw/zinc/18/97/40/960189740.db2.gz DKGIITUOIZZWCX-QMMMGPOBSA-N -1 1 319.321 0.881 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cc(C)[nH]c(=O)c2)n1 ZINC001362930959 960189752 /nfs/dbraw/zinc/18/97/52/960189752.db2.gz DKGIITUOIZZWCX-QMMMGPOBSA-N -1 1 319.321 0.881 20 0 DCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCC(F)F ZINC001309841229 960209941 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O=C(NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001419301091 1000959925 /nfs/dbraw/zinc/95/99/25/1000959925.db2.gz ULTVDAUDBLLQAO-KKOKHZNYSA-N -1 1 321.381 0.062 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCc1cc(=O)[nH]c(C2CC2)n1 ZINC001419444368 1001054872 /nfs/dbraw/zinc/05/48/72/1001054872.db2.gz HZXICPAIYRUXMJ-UHFFFAOYSA-N -1 1 303.326 0.212 20 0 DCADMM O=C(Cc1ccc2c(c1)NC(=O)C2)NCc1nc([O-])cc(=O)[nH]1 ZINC001470583365 1016463254 /nfs/dbraw/zinc/46/32/54/1016463254.db2.gz XSURRIPUXNSNRO-UHFFFAOYSA-N -1 1 314.301 0.241 20 0 DCADMM COc1nn(C)cc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001470629617 1016468524 /nfs/dbraw/zinc/46/85/24/1016468524.db2.gz PEKKNBIBYKWJGZ-LLVKDONJSA-N -1 1 313.321 0.461 20 0 DCADMM COC[C@@H](NC(=O)[C@H]1CCC(=O)c2cccn21)c1nn[n-]n1 ZINC001419548338 1001130730 /nfs/dbraw/zinc/13/07/30/1001130730.db2.gz DJIPUHVLDLBPEK-PSASIEDQSA-N -1 1 304.310 0.023 20 0 DCADMM COC[C@@H](NC(=O)c1cccc2c1O[C@@H](C)C2)c1nn[n-]n1 ZINC001419552153 1001135046 /nfs/dbraw/zinc/13/50/46/1001135046.db2.gz KCMBWPQLZUVVQJ-GZMMTYOYSA-N -1 1 303.322 0.641 20 0 DCADMM CCCc1cc(C(=O)N[C@@H](COC)c2nn[n-]n2)cc(=O)[nH]1 ZINC001419577950 1001152523 /nfs/dbraw/zinc/15/25/23/1001152523.db2.gz BXWDPIBVGHAXOB-JTQLQIEISA-N -1 1 306.326 0.370 20 0 DCADMM O=C(NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1C[C@@H]1C(F)F ZINC001402288265 1001181239 /nfs/dbraw/zinc/18/12/39/1001181239.db2.gz PDZUTRSHMQCDGV-CIUDSAMLSA-N -1 1 315.324 0.396 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1ccncc1F ZINC001419652547 1001197091 /nfs/dbraw/zinc/19/70/91/1001197091.db2.gz XFOISSZPVPYYCF-QMMMGPOBSA-N -1 1 308.317 0.295 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])NCc1nnnn1C1CC1 ZINC001419737499 1001265530 /nfs/dbraw/zinc/26/55/30/1001265530.db2.gz UIEKEULCHDMNEP-VIFPVBQESA-N -1 1 317.353 0.017 20 0 DCADMM O=C(C[C@H]1CCCO1)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001402538831 1001393761 /nfs/dbraw/zinc/39/37/61/1001393761.db2.gz SBCRLQTXONIUCB-SNVBAGLBSA-N -1 1 309.370 0.208 20 0 DCADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001402576746 1001418487 /nfs/dbraw/zinc/41/84/87/1001418487.db2.gz WKPOQLDGGTZGIR-MNOVXSKESA-N -1 1 307.398 0.931 20 0 DCADMM CCc1cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)ccc1O ZINC001470936446 1016501327 /nfs/dbraw/zinc/50/13/27/1016501327.db2.gz XOVGGXDYHRYHBD-LLVKDONJSA-N -1 1 303.322 0.681 20 0 DCADMM Cc1noc(C)c1C(=O)N[C@H](C)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001402962762 1001605429 /nfs/dbraw/zinc/60/54/29/1001605429.db2.gz OUWCASAHNCTKCO-NKWVEPMBSA-N -1 1 308.342 0.412 20 0 DCADMM Cc1nc(C(=O)N[C@@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)c(C)o1 ZINC001403030506 1001640127 /nfs/dbraw/zinc/64/01/27/1001640127.db2.gz BOSFAYMPLRHSLE-BQBZGAKWSA-N -1 1 308.342 0.412 20 0 DCADMM C[C@H](CNC(=O)CCCc1cccnc1)NCc1n[nH]c(=O)[n-]1 ZINC001403067400 1001657729 /nfs/dbraw/zinc/65/77/29/1001657729.db2.gz GJTPCQTUGUVEEV-LLVKDONJSA-N -1 1 318.381 0.523 20 0 DCADMM CCN(C[C@H](C)OC)S(=O)(=O)c1cc(C(=O)OC)n[n-]1 ZINC001424630988 1001863682 /nfs/dbraw/zinc/86/36/82/1001863682.db2.gz PTSWGQGNQLXBKP-QMMMGPOBSA-N -1 1 305.356 0.242 20 0 DCADMM CCN(C[C@H](C)OC)S(=O)(=O)c1cc(C(=O)OC)[n-]n1 ZINC001424630988 1001863695 /nfs/dbraw/zinc/86/36/95/1001863695.db2.gz PTSWGQGNQLXBKP-QMMMGPOBSA-N -1 1 305.356 0.242 20 0 DCADMM CC[C@@H](C[C@H](C)O)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001471150398 1016538736 /nfs/dbraw/zinc/53/87/36/1016538736.db2.gz XQUUIOXBMGSUID-UWVGGRQHSA-N -1 1 324.381 0.604 20 0 DCADMM Cc1cncc(C(=O)N[C@@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001424756908 1001983942 /nfs/dbraw/zinc/98/39/42/1001983942.db2.gz GJPAVRWXQJEKPT-ZJUUUORDSA-N -1 1 304.354 0.510 20 0 DCADMM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCC(c3nn[n-]n3)CC2)C1 ZINC001471337442 1016556774 /nfs/dbraw/zinc/55/67/74/1016556774.db2.gz ZEQVAZCVOHTWQY-GHMZBOCLSA-N -1 1 306.370 0.197 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])CC(=O)N1CCCCC1 ZINC001420209286 1002045072 /nfs/dbraw/zinc/04/50/72/1002045072.db2.gz JXJVHICDGDAQJE-UHFFFAOYSA-N -1 1 320.393 0.461 20 0 DCADMM CCOC(=O)c1[n-]cnc1CNC(=O)c1cccn(C)c1=O ZINC001420216788 1002059500 /nfs/dbraw/zinc/05/95/00/1002059500.db2.gz ZWWWGFHPVYCPAF-UHFFFAOYSA-N -1 1 304.306 0.215 20 0 DCADMM CCc1nnc(CN[C@H](C)CN(C)C(=O)c2ncccc2[O-])o1 ZINC001403538428 1002103122 /nfs/dbraw/zinc/10/31/22/1002103122.db2.gz INIOCABSZPUNEY-SNVBAGLBSA-N -1 1 319.365 0.983 20 0 DCADMM O=C(c1n[nH]c(=O)c2ccccc21)N1CC[C@H](c2nn[n-]n2)C1 ZINC001471460385 1016580242 /nfs/dbraw/zinc/58/02/42/1016580242.db2.gz QZVMMFMSEIYAJW-QMMMGPOBSA-N -1 1 311.305 0.478 20 0 DCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001471459841 1016583407 /nfs/dbraw/zinc/58/34/07/1016583407.db2.gz LWPPJRGKTDLDQR-UWVGGRQHSA-N -1 1 308.386 0.457 20 0 DCADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1)NC(=O)c1ncccc1[O-] ZINC001424988029 1002217351 /nfs/dbraw/zinc/21/73/51/1002217351.db2.gz SLHPUCGXHHFZMP-JTQLQIEISA-N -1 1 317.349 0.411 20 0 DCADMM CCc1noc(C)c1C(=O)N(C)C[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001403641112 1002252491 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CC(C)CS(=O)(=O)CCC(=O)NC1(c2nn[n-]n2)CCC1 ZINC001471659520 1016629139 /nfs/dbraw/zinc/62/91/39/1016629139.db2.gz HXNFXEAZJUPNNE-UHFFFAOYSA-N -1 1 315.399 0.156 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H](C)Cc1cn(C)nn1 ZINC001471675981 1016635043 /nfs/dbraw/zinc/63/50/43/1016635043.db2.gz VMKNJRBDVSPNCK-ZCFIWIBFSA-N -1 1 308.367 0.269 20 0 DCADMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)CC1COC1 ZINC001471799838 1016654514 /nfs/dbraw/zinc/65/45/14/1016654514.db2.gz TZHCCPATOKCTLZ-SNVBAGLBSA-N -1 1 308.338 0.681 20 0 DCADMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)CC1COC1 ZINC001471799838 1016654527 /nfs/dbraw/zinc/65/45/27/1016654527.db2.gz TZHCCPATOKCTLZ-SNVBAGLBSA-N -1 1 308.338 0.681 20 0 DCADMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)CC1COC1 ZINC001471799838 1016654540 /nfs/dbraw/zinc/65/45/40/1016654540.db2.gz TZHCCPATOKCTLZ-SNVBAGLBSA-N -1 1 308.338 0.681 20 0 DCADMM COC[C@@H](NC(=O)c1cnn2c1C[C@@H](C)CC2)c1nn[n-]n1 ZINC001471845925 1016671912 /nfs/dbraw/zinc/67/19/12/1016671912.db2.gz 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COCCn1cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cn1 ZINC000288723657 220372199 /nfs/dbraw/zinc/37/21/99/220372199.db2.gz ZBZKPUFKVAXVJD-SSDOTTSWSA-N -1 1 301.290 0.759 20 0 DCADMM O=C(NCCN1C(=O)NC2(CCCC2)C1=O)c1ncccc1[O-] ZINC000348534268 254242367 /nfs/dbraw/zinc/24/23/67/254242367.db2.gz NMGSVGLEJSCWDF-UHFFFAOYSA-N -1 1 318.333 0.382 20 0 DCADMM C[C@](O)(CNC(=O)c1ccc(Nc2ccncc2)cc1)C(=O)[O-] ZINC000349075880 254272198 /nfs/dbraw/zinc/27/21/98/254272198.db2.gz BHQNHQNOZLFRRK-INIZCTEOSA-N -1 1 315.329 0.813 20 0 DCADMM CCC(O)(CC)CCNC(=O)CNC(=O)c1ncccc1[O-] ZINC000349853735 254300634 /nfs/dbraw/zinc/30/06/34/254300634.db2.gz NCPDCHBHQGGTAM-UHFFFAOYSA-N -1 1 309.366 0.574 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)CCc1cccn1C ZINC000352065333 254394503 /nfs/dbraw/zinc/39/45/03/254394503.db2.gz KCLYRJGJEFKDGN-VIFPVBQESA-N -1 1 320.349 0.986 20 0 DCADMM CCOC(=O)[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)[C@@H](C)CC ZINC000353731695 254467586 /nfs/dbraw/zinc/46/75/86/254467586.db2.gz YGDAZYFZDOIDRD-KWQFWETISA-N -1 1 321.337 0.125 20 0 DCADMM CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)c2ncc(C)cc2[O-])C1 ZINC000331879028 533545226 /nfs/dbraw/zinc/54/52/26/533545226.db2.gz VYGASVSMOHHORF-ZJUUUORDSA-N -1 1 303.322 0.816 20 0 DCADMM CSCC[C@H](O)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000295928027 533661776 /nfs/dbraw/zinc/66/17/76/533661776.db2.gz SEURUDHWSCFVAC-NSHDSACASA-N -1 1 324.406 0.370 20 0 DCADMM CCC[C@H](NC(=O)CC(=O)NCC(F)(F)F)c1nn[n-]n1 ZINC000272354285 130022985 /nfs/dbraw/zinc/02/29/85/130022985.db2.gz DCOONIYJYCKZAA-LURJTMIESA-N -1 1 308.264 0.226 20 0 DCADMM CCC(=O)N1CC[C@@H](NC(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000283761584 131019630 /nfs/dbraw/zinc/01/96/30/131019630.db2.gz QDFZDHPDVXDQLK-SNVBAGLBSA-N -1 1 319.390 0.759 20 0 DCADMM O=C(c1cncc([O-])c1)N(CCO)CCOCC(F)(F)F ZINC000285234148 131149482 /nfs/dbraw/zinc/14/94/82/131149482.db2.gz KVAKOKBWIUSJAG-UHFFFAOYSA-N -1 1 308.256 0.801 20 0 DCADMM Cn1ncc(N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c(Cl)c1=O ZINC000285491203 131173576 /nfs/dbraw/zinc/17/35/76/131173576.db2.gz DRGKIROEWYZPSY-ZETCQYMHSA-N -1 1 310.745 0.229 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC001647178972 1172722670 /nfs/dbraw/zinc/72/26/70/1172722670.db2.gz UHEZCLVBDMXEDZ-IMTBSYHQSA-N -1 1 310.379 0.467 20 0 DCADMM Cc1ccccc1CCNC(=O)[C@H](C)S(=O)(=O)c1ncn[n-]1 ZINC000086169613 395702585 /nfs/dbraw/zinc/70/25/85/395702585.db2.gz KPCQBQJPTWTSRX-NSHDSACASA-N -1 1 322.390 0.634 20 0 DCADMM Cc1ccccc1CCNC(=O)[C@H](C)S(=O)(=O)c1nc[n-]n1 ZINC000086169613 395702587 /nfs/dbraw/zinc/70/25/87/395702587.db2.gz KPCQBQJPTWTSRX-NSHDSACASA-N -1 1 322.390 0.634 20 0 DCADMM CCc1nc(S(=O)(=O)CC(=O)NCc2ccccc2C)n[n-]1 ZINC000086170608 395703289 /nfs/dbraw/zinc/70/32/89/395703289.db2.gz RKVWQEDUAGSISI-UHFFFAOYSA-N -1 1 322.390 0.766 20 0 DCADMM Cc1ccccc1CN(C)C(=O)[C@@H](C)S(=O)(=O)c1ncn[n-]1 ZINC000086169948 395703311 /nfs/dbraw/zinc/70/33/11/395703311.db2.gz JNRRZYGRAFFJMS-LLVKDONJSA-N -1 1 322.390 0.934 20 0 DCADMM Cc1ccccc1CN(C)C(=O)[C@@H](C)S(=O)(=O)c1nc[n-]n1 ZINC000086169948 395703314 /nfs/dbraw/zinc/70/33/14/395703314.db2.gz JNRRZYGRAFFJMS-LLVKDONJSA-N -1 1 322.390 0.934 20 0 DCADMM COc1cccc(CO[C@@H](C)C(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000032625813 395711549 /nfs/dbraw/zinc/71/15/49/395711549.db2.gz DKTPQUSVCFABEI-VIFPVBQESA-N -1 1 307.306 0.183 20 0 DCADMM CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1ncccc1[O-] ZINC000090925266 395719743 /nfs/dbraw/zinc/71/97/43/395719743.db2.gz HVADYUXIQUPGDJ-SECBINFHSA-N -1 1 302.377 0.347 20 0 DCADMM O=C(Cn1cc([N-]c2nc(C3CC3)ns2)cn1)NCCO ZINC000092658406 395732335 /nfs/dbraw/zinc/73/23/35/395732335.db2.gz RUYJQFAMQSMOCC-UHFFFAOYSA-N -1 1 308.367 0.464 20 0 DCADMM O=C(C[N-]S(=O)(=O)Cc1ccon1)Nc1cccc(F)c1 ZINC000097598673 395759095 /nfs/dbraw/zinc/75/90/95/395759095.db2.gz VYNIKLYCVCANCL-UHFFFAOYSA-N -1 1 313.310 0.872 20 0 DCADMM O=C(NCc1ccnc(N2CCOCC2)c1)c1ncccc1[O-] ZINC000194660284 395803954 /nfs/dbraw/zinc/80/39/54/395803954.db2.gz ZLFLTMGRQMXOLQ-UHFFFAOYSA-N -1 1 314.345 0.949 20 0 DCADMM O=C(NCCC1N=NC(=S)N1C1CC1)c1cncc([O-])c1 ZINC000111618967 395810381 /nfs/dbraw/zinc/81/03/81/395810381.db2.gz RIONSAJROVWISO-UHFFFAOYSA-N -1 1 305.363 0.975 20 0 DCADMM O=S(=O)([N-]C[C@H]1COCCO1)c1ccc(F)c(F)c1F ZINC000048673176 395822011 /nfs/dbraw/zinc/82/20/11/395822011.db2.gz YWHNMSKJFMTKMX-ZETCQYMHSA-N -1 1 311.281 0.798 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc2O1)c1nn[n-]n1 ZINC000123942121 395898401 /nfs/dbraw/zinc/89/84/01/395898401.db2.gz JQCWKMKPRIYLHC-JOYOIKCWSA-N -1 1 303.322 0.602 20 0 DCADMM NC(=O)CO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000271439336 395866187 /nfs/dbraw/zinc/86/61/87/395866187.db2.gz SXOGBOJDMQEWCF-MRVPVSSYSA-N -1 1 311.725 0.226 20 0 DCADMM COC(=O)NCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000271482618 395868444 /nfs/dbraw/zinc/86/84/44/395868444.db2.gz GJLBJBJATXLFQE-UHFFFAOYSA-N -1 1 319.314 0.492 20 0 DCADMM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000228560250 395872230 /nfs/dbraw/zinc/87/22/30/395872230.db2.gz QIKQPTXIUSCKIF-GFCCVEGCSA-N -1 1 319.383 0.416 20 0 DCADMM O=C(c1cncc([O-])c1)N1CCN(c2ncc(F)cn2)CC1 ZINC000273664466 395936304 /nfs/dbraw/zinc/93/63/04/395936304.db2.gz WSGBBCXDRLYHFS-UHFFFAOYSA-N -1 1 303.297 0.679 20 0 DCADMM CCC[C@H](NC(=O)c1cccc(C(=O)NC)c1)c1nn[n-]n1 ZINC000136691343 395948354 /nfs/dbraw/zinc/94/83/54/395948354.db2.gz NEXOSRZOTDQQNE-NSHDSACASA-N -1 1 302.338 0.831 20 0 DCADMM C[C@@H](CN(C)C(=O)Cn1ccc(C(F)(F)F)n1)c1nn[n-]n1 ZINC000274827465 395979801 /nfs/dbraw/zinc/97/98/01/395979801.db2.gz YQEQCHYOUAFZKU-ZETCQYMHSA-N -1 1 317.275 0.677 20 0 DCADMM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)co1 ZINC000276732328 396024584 /nfs/dbraw/zinc/02/45/84/396024584.db2.gz QXZMONFQZQKUCY-QMMMGPOBSA-N -1 1 318.351 0.211 20 0 DCADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000276751110 396025880 /nfs/dbraw/zinc/02/58/80/396025880.db2.gz SXLQGXDTJCPQOX-PSASIEDQSA-N -1 1 303.336 0.506 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](COC)C2CC2)o1 ZINC000155382369 396050600 /nfs/dbraw/zinc/05/06/00/396050600.db2.gz BSPMHKIDSGVIRM-VIFPVBQESA-N -1 1 302.352 0.343 20 0 DCADMM CNS(=O)(=O)c1cc(-c2nc(C3(N)CCC3)no2)c(C)o1 ZINC000261794381 396066723 /nfs/dbraw/zinc/06/67/23/396066723.db2.gz GKBPFLKFGGDBBT-UHFFFAOYSA-N -1 1 312.351 0.884 20 0 DCADMM Cc1c(C(=O)Nc2nn[n-]n2)nnn1-c1ccc2ncccc2c1 ZINC000066927697 396017811 /nfs/dbraw/zinc/01/78/11/396017811.db2.gz PZLNFWPZILEYLO-UHFFFAOYSA-N -1 1 321.304 0.889 20 0 DCADMM CC[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C(=O)OC ZINC000276665174 396019500 /nfs/dbraw/zinc/01/95/00/396019500.db2.gz FMAINVVCSXMDCL-MRVPVSSYSA-N -1 1 316.335 0.177 20 0 DCADMM CNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000070890939 396106083 /nfs/dbraw/zinc/10/60/83/396106083.db2.gz NIMVATLRJJOJEZ-UHFFFAOYSA-N -1 1 311.769 0.549 20 0 DCADMM O=C(CS(=O)(=O)c1nc(-c2ccccc2F)n[n-]1)N1CCC1 ZINC000278149757 396109045 /nfs/dbraw/zinc/10/90/45/396109045.db2.gz HFQNGFAOKSEZRB-UHFFFAOYSA-N -1 1 324.337 0.617 20 0 DCADMM O=C(CS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1)N1CCC1 ZINC000278149757 396109046 /nfs/dbraw/zinc/10/90/46/396109046.db2.gz HFQNGFAOKSEZRB-UHFFFAOYSA-N -1 1 324.337 0.617 20 0 DCADMM COc1ccc(NC(=O)NC(=O)CN2CC[C@H](C(=O)[O-])C2)cc1 ZINC000262661358 396170047 /nfs/dbraw/zinc/17/00/47/396170047.db2.gz NXCOUXOEDGGMBJ-JTQLQIEISA-N -1 1 321.333 0.750 20 0 DCADMM CN(CCC(=O)[O-])CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000262676305 396171888 /nfs/dbraw/zinc/17/18/88/396171888.db2.gz UFTJWJSJUOANBI-UHFFFAOYSA-N -1 1 324.333 0.317 20 0 DCADMM COC(=O)N1CC([N-]S(=O)(=O)c2cccc(F)c2F)C1 ZINC000178152636 396189980 /nfs/dbraw/zinc/18/99/80/396189980.db2.gz CSMCWWZBCOEGDY-UHFFFAOYSA-N -1 1 306.290 0.694 20 0 DCADMM Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000262975933 396195343 /nfs/dbraw/zinc/19/53/43/396195343.db2.gz YEDDYTVRHZUYED-DTWKUNHWSA-N -1 1 317.349 0.615 20 0 DCADMM C[C@H](CN1CCCC1=O)NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000181818853 396242888 /nfs/dbraw/zinc/24/28/88/396242888.db2.gz QHASTQGYDYELCP-SECBINFHSA-N -1 1 317.349 0.415 20 0 DCADMM CCn1c(CNC(=O)CCCNC(=O)C2CC2)n[n-]c1=S ZINC000078496478 396246080 /nfs/dbraw/zinc/24/60/80/396246080.db2.gz GBHHHQYBZMSEIH-UHFFFAOYSA-N -1 1 311.411 0.883 20 0 DCADMM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(S(N)(=O)=O)ccc1C ZINC000282175225 396269473 /nfs/dbraw/zinc/26/94/73/396269473.db2.gz IQMCACKKCWKTOR-VIFPVBQESA-N -1 1 322.408 0.419 20 0 DCADMM Cc1cc(C)nc(SCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)n1 ZINC000183432171 396270290 /nfs/dbraw/zinc/27/02/90/396270290.db2.gz LYWJOJBVAIKEGH-MRVPVSSYSA-N -1 1 321.410 0.961 20 0 DCADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](C)OC)c1ccccc1 ZINC000282219149 396273250 /nfs/dbraw/zinc/27/32/50/396273250.db2.gz QGMZIHPWWWGXAR-PWSUYJOCSA-N -1 1 301.364 0.855 20 0 DCADMM CCNC(=O)CN1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080001898 396273584 /nfs/dbraw/zinc/27/35/84/396273584.db2.gz FIZOWGHWFRUPNI-UHFFFAOYSA-N -1 1 309.341 0.425 20 0 DCADMM O=S(=O)([N-]CCN1CCOCC1)c1cccc(F)c1F ZINC000263749423 396228060 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ZINC000737760102 598985197 /nfs/dbraw/zinc/98/51/97/598985197.db2.gz FSWJPUXXLIPIHJ-UHFFFAOYSA-N -1 1 309.289 0.613 20 0 DCADMM O=C(NCCc1nccs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738095510 599000630 /nfs/dbraw/zinc/00/06/30/599000630.db2.gz XEVTXFNYIDOYFR-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM O=C(NCCc1nccs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738095510 599000632 /nfs/dbraw/zinc/00/06/32/599000632.db2.gz XEVTXFNYIDOYFR-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM CCNC(=O)NCCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000736576624 599026783 /nfs/dbraw/zinc/02/67/83/599026783.db2.gz XBANMCWVJUAMJX-UHFFFAOYSA-N -1 1 324.366 0.794 20 0 DCADMM CCCN(C)S(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000829457622 602209280 /nfs/dbraw/zinc/20/92/80/602209280.db2.gz CGJYLGADSNVKGW-LLVKDONJSA-N -1 1 307.416 0.054 20 0 DCADMM CN(CCCC(=O)N1CCN(CC(C)(C)O)CC1)C(=O)[O-] ZINC000737417917 602683197 /nfs/dbraw/zinc/68/31/97/602683197.db2.gz MNKZEKYDPKQOSI-UHFFFAOYSA-N -1 1 301.387 0.292 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCN(C)C2=O)n1 ZINC000737470256 599158960 /nfs/dbraw/zinc/15/89/60/599158960.db2.gz GOKKWUMAIXVCJT-MRVPVSSYSA-N -1 1 305.367 0.596 20 0 DCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)nc1 ZINC000739605936 596908955 /nfs/dbraw/zinc/90/89/55/596908955.db2.gz IUPFVEGLTSZOGJ-UHFFFAOYSA-N -1 1 321.786 0.372 20 0 DCADMM CN(CCOc1ccc(S(C)(=O)=O)cc1)CCC(=O)[O-] ZINC000818469953 597000339 /nfs/dbraw/zinc/00/03/39/597000339.db2.gz RCVGGOACGFKNJC-UHFFFAOYSA-N -1 1 301.364 0.875 20 0 DCADMM O=C([O-])[C@H]1CC(C(=O)NCc2c[nH]nn2)=NN1c1ccccc1 ZINC000819181602 597485232 /nfs/dbraw/zinc/48/52/32/597485232.db2.gz JZUIUIXTZMACSU-GFCCVEGCSA-N -1 1 314.305 0.140 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cnn(-c2ccccc2)n1 ZINC000738372401 598283651 /nfs/dbraw/zinc/28/36/51/598283651.db2.gz POWJDQWCFSJNRR-UHFFFAOYSA-N -1 1 320.316 0.657 20 0 DCADMM Cc1cc(NC(=O)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)no1 ZINC000822208448 607349757 /nfs/dbraw/zinc/34/97/57/607349757.db2.gz SCHKYHDFADJYFN-UHFFFAOYSA-N -1 1 315.293 0.272 20 0 DCADMM c1cnc(N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)nc1 ZINC000738446410 598345993 /nfs/dbraw/zinc/34/59/93/598345993.db2.gz YLZWFFWSRUCZED-SNVBAGLBSA-N -1 1 324.352 0.528 20 0 DCADMM c1cnc(N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)nc1 ZINC000738446410 598345995 /nfs/dbraw/zinc/34/59/95/598345995.db2.gz YLZWFFWSRUCZED-SNVBAGLBSA-N -1 1 324.352 0.528 20 0 DCADMM CCCNC(=O)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000736480852 598350283 /nfs/dbraw/zinc/35/02/83/598350283.db2.gz MQIOFWQJJKDNHB-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCCNC(=O)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000736480852 598350285 /nfs/dbraw/zinc/35/02/85/598350285.db2.gz MQIOFWQJJKDNHB-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM COCCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000736976491 598426004 /nfs/dbraw/zinc/42/60/04/598426004.db2.gz MNAYIRJGYIEYFV-UHFFFAOYSA-N -1 1 323.309 0.595 20 0 DCADMM CCSc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cn1 ZINC000736665397 598528926 /nfs/dbraw/zinc/52/89/26/598528926.db2.gz HPGIUXYLLIVQOR-UHFFFAOYSA-N -1 1 316.350 0.841 20 0 DCADMM FC(F)(F)Cn1ccnc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC000737625571 598645127 /nfs/dbraw/zinc/64/51/27/598645127.db2.gz CBZSZSQLPPNUSR-UHFFFAOYSA-N -1 1 313.247 0.961 20 0 DCADMM FC(F)(F)Cn1ccnc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC000737625571 598645129 /nfs/dbraw/zinc/64/51/29/598645129.db2.gz CBZSZSQLPPNUSR-UHFFFAOYSA-N -1 1 313.247 0.961 20 0 DCADMM O=C1CCCN1[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000738303554 598680345 /nfs/dbraw/zinc/68/03/45/598680345.db2.gz RNVBTSRRMJMDOQ-SNVBAGLBSA-N -1 1 314.353 0.248 20 0 DCADMM O=C1CCCN1[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000738303554 598680346 /nfs/dbraw/zinc/68/03/46/598680346.db2.gz RNVBTSRRMJMDOQ-SNVBAGLBSA-N -1 1 314.353 0.248 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)CO ZINC000822541333 607363117 /nfs/dbraw/zinc/36/31/17/607363117.db2.gz NJWJWXFNIGOYPT-QMMMGPOBSA-N -1 1 316.321 0.669 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)CO ZINC000822541333 607363119 /nfs/dbraw/zinc/36/31/19/607363119.db2.gz NJWJWXFNIGOYPT-QMMMGPOBSA-N -1 1 316.321 0.669 20 0 DCADMM CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736879102 598721584 /nfs/dbraw/zinc/72/15/84/598721584.db2.gz PRAMRSLANOYVQQ-UHFFFAOYSA-N -1 1 318.724 0.581 20 0 DCADMM CC(=O)Nc1nnc(Sc2nccnc2-c2nn[n-]n2)s1 ZINC000735496655 598798582 /nfs/dbraw/zinc/79/85/82/598798582.db2.gz FCGOBZGPSAVJCV-UHFFFAOYSA-N -1 1 321.351 0.618 20 0 DCADMM Cc1nccc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000737503325 599324161 /nfs/dbraw/zinc/32/41/61/599324161.db2.gz UGWCRAKGLIEVSR-UHFFFAOYSA-N -1 1 300.330 0.315 20 0 DCADMM COC(=O)[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000736889141 599380436 /nfs/dbraw/zinc/38/04/36/599380436.db2.gz QCTCOYSIVPUDQK-CQSZACIVSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000736889141 599380439 /nfs/dbraw/zinc/38/04/39/599380439.db2.gz QCTCOYSIVPUDQK-CQSZACIVSA-N -1 1 316.321 0.333 20 0 DCADMM Cc1ccnc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000737435788 599398014 /nfs/dbraw/zinc/39/80/14/599398014.db2.gz CQPSSVMNMTTZER-UHFFFAOYSA-N -1 1 300.330 0.315 20 0 DCADMM Cc1ccnc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000737435788 599398018 /nfs/dbraw/zinc/39/80/18/599398018.db2.gz CQPSSVMNMTTZER-UHFFFAOYSA-N -1 1 300.330 0.315 20 0 DCADMM c1cnnc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000738447584 599425972 /nfs/dbraw/zinc/42/59/72/599425972.db2.gz HQIVXRLVOMIPJG-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM c1cnnc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000738447584 599425973 /nfs/dbraw/zinc/42/59/73/599425973.db2.gz HQIVXRLVOMIPJG-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM CC(C)CO[C@@H](C)c1noc(Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000820096815 599689480 /nfs/dbraw/zinc/68/94/80/599689480.db2.gz HFTPVRCKRMBUDE-QMMMGPOBSA-N -1 1 319.329 0.623 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(F)n2)n1 ZINC000826356715 607395152 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605287434 /nfs/dbraw/zinc/28/74/34/605287434.db2.gz XWPHRNKETYXSCW-ZDUSSCGKSA-N -1 1 324.381 0.926 20 0 DCADMM Cc1nnc(SCCC(=O)N[C@H](C)CCNC(=O)[O-])[nH]1 ZINC000833926716 605482360 /nfs/dbraw/zinc/48/23/60/605482360.db2.gz JGQHGBWNUXOJOF-SSDOTTSWSA-N -1 1 301.372 0.758 20 0 DCADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000736418965 605706662 /nfs/dbraw/zinc/70/66/62/605706662.db2.gz CZLOASNRJNOOMC-STQMWFEESA-N -1 1 314.430 0.421 20 0 DCADMM CC(C)c1noc(CONC(=N)[C@H]2COCCN2C(=O)[O-])n1 ZINC000833799974 605732074 /nfs/dbraw/zinc/73/20/74/605732074.db2.gz UXOUDSMVHHYHOR-MRVPVSSYSA-N -1 1 313.314 0.570 20 0 DCADMM COCCN(CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)C(=O)[O-] ZINC000833884671 605783775 /nfs/dbraw/zinc/78/37/75/605783775.db2.gz RNYJNZMLOBVQOT-VIFPVBQESA-N -1 1 313.358 0.732 20 0 DCADMM Cc1nnc(SCCC(=O)NC[C@@H](C)CNC(=O)[O-])[nH]1 ZINC000833924914 605828013 /nfs/dbraw/zinc/82/80/13/605828013.db2.gz AQCXNRYMNJXHQA-SSDOTTSWSA-N -1 1 301.372 0.615 20 0 DCADMM O=C(C[C@@H]1CSCCN1C(=O)[O-])N[C@H]1CCc2[nH]cnc2C1 ZINC000833989479 605959685 /nfs/dbraw/zinc/95/96/85/605959685.db2.gz XHIKAYIYMRXCEB-VHSXEESVSA-N -1 1 324.406 0.869 20 0 DCADMM O=C([O-])NC1(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)CCCCC1 ZINC000834152408 605975695 /nfs/dbraw/zinc/97/56/95/605975695.db2.gz NKYQMATZMQIRAT-SNVBAGLBSA-N -1 1 322.369 0.876 20 0 DCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC1CC1 ZINC000820512549 606135327 /nfs/dbraw/zinc/13/53/27/606135327.db2.gz MBXKTVBKBLHUPM-ZCFIWIBFSA-N -1 1 307.335 0.752 20 0 DCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC1CC1 ZINC000820512549 606135329 /nfs/dbraw/zinc/13/53/29/606135329.db2.gz MBXKTVBKBLHUPM-ZCFIWIBFSA-N -1 1 307.335 0.752 20 0 DCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC1CC1 ZINC000820512547 606135352 /nfs/dbraw/zinc/13/53/52/606135352.db2.gz MBXKTVBKBLHUPM-LURJTMIESA-N -1 1 307.335 0.752 20 0 DCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC1CC1 ZINC000820512547 606135354 /nfs/dbraw/zinc/13/53/54/606135354.db2.gz MBXKTVBKBLHUPM-LURJTMIESA-N -1 1 307.335 0.752 20 0 DCADMM Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC000822237504 606162484 /nfs/dbraw/zinc/16/24/84/606162484.db2.gz XESIGEFVOPVNDR-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC000822237504 606162485 /nfs/dbraw/zinc/16/24/85/606162485.db2.gz XESIGEFVOPVNDR-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCS1 ZINC000820743165 606163974 /nfs/dbraw/zinc/16/39/74/606163974.db2.gz RKVWWKPOUKDMJR-SSDOTTSWSA-N -1 1 308.371 0.569 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCS1 ZINC000820743165 606163977 /nfs/dbraw/zinc/16/39/77/606163977.db2.gz RKVWWKPOUKDMJR-SSDOTTSWSA-N -1 1 308.371 0.569 20 0 DCADMM C[C@H](O)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820467327 606169303 /nfs/dbraw/zinc/16/93/03/606169303.db2.gz DMSJAVSCOKGDIG-QMMMGPOBSA-N -1 1 320.357 0.225 20 0 DCADMM C[C@H](O)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820467327 606169305 /nfs/dbraw/zinc/16/93/05/606169305.db2.gz DMSJAVSCOKGDIG-QMMMGPOBSA-N -1 1 320.357 0.225 20 0 DCADMM COC[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821684784 606173012 /nfs/dbraw/zinc/17/30/12/606173012.db2.gz KODWGOHFLMBGDF-MRVPVSSYSA-N -1 1 306.330 0.100 20 0 DCADMM COC[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821684784 606173013 /nfs/dbraw/zinc/17/30/13/606173013.db2.gz KODWGOHFLMBGDF-MRVPVSSYSA-N -1 1 306.330 0.100 20 0 DCADMM CCC[C@@](C)(CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821009534 606343797 /nfs/dbraw/zinc/34/37/97/606343797.db2.gz UYPAEFOKAUGZMC-LBPRGKRZSA-N -1 1 308.346 0.273 20 0 DCADMM CCC[C@@](C)(CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821009534 606343798 /nfs/dbraw/zinc/34/37/98/606343798.db2.gz UYPAEFOKAUGZMC-LBPRGKRZSA-N -1 1 308.346 0.273 20 0 DCADMM CCCN(CC(C)(C)O)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821094905 606345749 /nfs/dbraw/zinc/34/57/49/606345749.db2.gz SVXIMOQAPUFJSZ-UHFFFAOYSA-N -1 1 322.373 0.615 20 0 DCADMM CCCN(CC(C)(C)O)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821094905 606345751 /nfs/dbraw/zinc/34/57/51/606345751.db2.gz SVXIMOQAPUFJSZ-UHFFFAOYSA-N -1 1 322.373 0.615 20 0 DCADMM CCN(CC(=O)N(C)C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821164491 606470827 /nfs/dbraw/zinc/47/08/27/606470827.db2.gz DZZLSTHRFIHZIZ-UHFFFAOYSA-N -1 1 309.761 0.830 20 0 DCADMM CCN(CC(=O)N(C)C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821164491 606470829 /nfs/dbraw/zinc/47/08/29/606470829.db2.gz DZZLSTHRFIHZIZ-UHFFFAOYSA-N -1 1 309.761 0.830 20 0 DCADMM O=C(N[C@H]1CCCCNC1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823149609 606509167 /nfs/dbraw/zinc/50/91/67/606509167.db2.gz DAWRYJMLHKXKSS-ZETCQYMHSA-N -1 1 306.351 0.327 20 0 DCADMM O=C(N[C@H]1CCCCNC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823149609 606509168 /nfs/dbraw/zinc/50/91/68/606509168.db2.gz DAWRYJMLHKXKSS-ZETCQYMHSA-N -1 1 306.351 0.327 20 0 DCADMM COCCOCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821693026 606519825 /nfs/dbraw/zinc/51/98/25/606519825.db2.gz OFBRGQWLCQOCCS-UHFFFAOYSA-N -1 1 311.367 0.711 20 0 DCADMM COCCOCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821693026 606519827 /nfs/dbraw/zinc/51/98/27/606519827.db2.gz OFBRGQWLCQOCCS-UHFFFAOYSA-N -1 1 311.367 0.711 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)NC1CCCC1 ZINC000823005205 606539923 /nfs/dbraw/zinc/53/99/23/606539923.db2.gz HEZABUFKGYOWSR-UHFFFAOYSA-N -1 1 320.378 0.717 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)NC1CCCC1 ZINC000823005205 606539925 /nfs/dbraw/zinc/53/99/25/606539925.db2.gz HEZABUFKGYOWSR-UHFFFAOYSA-N -1 1 320.378 0.717 20 0 DCADMM Cc1nn(C)c(C)c1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822491808 606596352 /nfs/dbraw/zinc/59/63/52/606596352.db2.gz GJKAJBAYKNUVON-UHFFFAOYSA-N -1 1 316.329 0.595 20 0 DCADMM Cc1nn(C)c(C)c1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822491808 606596353 /nfs/dbraw/zinc/59/63/53/606596353.db2.gz GJKAJBAYKNUVON-UHFFFAOYSA-N -1 1 316.329 0.595 20 0 DCADMM CCC(O)(CC)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820926125 606596955 /nfs/dbraw/zinc/59/69/55/606596955.db2.gz PAARVWGEMSWTHU-UHFFFAOYSA-N -1 1 308.346 0.273 20 0 DCADMM CCC(O)(CC)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820926125 606596956 /nfs/dbraw/zinc/59/69/56/606596956.db2.gz PAARVWGEMSWTHU-UHFFFAOYSA-N -1 1 308.346 0.273 20 0 DCADMM COC(=O)NCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821665183 606648890 /nfs/dbraw/zinc/64/88/90/606648890.db2.gz ZBDUQZGAKMWWKK-UHFFFAOYSA-N -1 1 306.282 0.051 20 0 DCADMM COC(=O)NCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821665183 606648891 /nfs/dbraw/zinc/64/88/91/606648891.db2.gz ZBDUQZGAKMWWKK-UHFFFAOYSA-N -1 1 306.282 0.051 20 0 DCADMM O=C(NC[C@@H](CO)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823162004 606698703 /nfs/dbraw/zinc/69/87/03/606698703.db2.gz RFWWNBQIWCSCDK-ZDUSSCGKSA-N -1 1 324.344 0.768 20 0 DCADMM O=C(NC[C@@H](CO)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823162004 606698704 /nfs/dbraw/zinc/69/87/04/606698704.db2.gz RFWWNBQIWCSCDK-ZDUSSCGKSA-N -1 1 324.344 0.768 20 0 DCADMM c1c(CNc2nccnc2-c2nnn[n-]2)nnn1-c1ccccc1 ZINC000823773240 606725354 /nfs/dbraw/zinc/72/53/54/606725354.db2.gz SERJVXMCAYCEHW-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1c(CNc2nccnc2-c2nn[n-]n2)nnn1-c1ccccc1 ZINC000823773240 606725356 /nfs/dbraw/zinc/72/53/56/606725356.db2.gz SERJVXMCAYCEHW-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cnc(N2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2nnn[n-]2)n1 ZINC000823809315 606801956 /nfs/dbraw/zinc/80/19/56/606801956.db2.gz KGNQYENHAMYIOT-UWVGGRQHSA-N -1 1 303.326 0.041 20 0 DCADMM c1cnc(N2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2nn[n-]n2)n1 ZINC000823809315 606801957 /nfs/dbraw/zinc/80/19/57/606801957.db2.gz KGNQYENHAMYIOT-UWVGGRQHSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1n1ccnc1 ZINC000820727170 607047099 /nfs/dbraw/zinc/04/70/99/607047099.db2.gz IBXIAEAOLSQZMH-MNOVXSKESA-N -1 1 311.353 0.941 20 0 DCADMM C[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1n1ccnc1 ZINC000820727170 607047101 /nfs/dbraw/zinc/04/71/01/607047101.db2.gz IBXIAEAOLSQZMH-MNOVXSKESA-N -1 1 311.353 0.941 20 0 DCADMM COc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nn1 ZINC000821772830 607102783 /nfs/dbraw/zinc/10/27/83/607102783.db2.gz RRWKKSMXEARCIW-UHFFFAOYSA-N -1 1 304.295 0.374 20 0 DCADMM COc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nn1 ZINC000821772830 607102784 /nfs/dbraw/zinc/10/27/84/607102784.db2.gz RRWKKSMXEARCIW-UHFFFAOYSA-N -1 1 304.295 0.374 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)NCCCF)cc1-c1nn[n-]n1 ZINC000821979099 607162469 /nfs/dbraw/zinc/16/24/69/607162469.db2.gz PIBMMKHLHSRNRI-UHFFFAOYSA-N -1 1 312.330 0.779 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1csc(NC2CC2)n1 ZINC000822904127 607194677 /nfs/dbraw/zinc/19/46/77/607194677.db2.gz SLRLIHGFDPZWOA-UHFFFAOYSA-N -1 1 317.338 0.365 20 0 DCADMM Cc1cc(F)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822206106 607205269 /nfs/dbraw/zinc/20/52/69/607205269.db2.gz URBDTJSEWXHBOT-UHFFFAOYSA-N -1 1 302.273 0.544 20 0 DCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCc2ccccc21 ZINC000821571874 607206463 /nfs/dbraw/zinc/20/64/63/607206463.db2.gz JAKQXFSQXNKMAK-LBPRGKRZSA-N -1 1 324.348 0.604 20 0 DCADMM CC[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820979318 607207553 /nfs/dbraw/zinc/20/75/53/607207553.db2.gz GWZIYDHWDBKPEA-NXEZZACHSA-N -1 1 304.358 0.543 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2ncccc2c1 ZINC000823136430 607208463 /nfs/dbraw/zinc/20/84/63/607208463.db2.gz ZUDZIAGGSISZOK-UHFFFAOYSA-N -1 1 321.304 0.645 20 0 DCADMM C[C@@H]1CCCC[C@@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820697689 607210214 /nfs/dbraw/zinc/21/02/14/607210214.db2.gz KNNZYSMIPFVLCP-NXEZZACHSA-N -1 1 304.358 0.401 20 0 DCADMM C[C@@H]1CC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC000820690153 607216452 /nfs/dbraw/zinc/21/64/52/607216452.db2.gz HEUURUVKAKXFEL-KXUCPTDWSA-N -1 1 304.358 0.399 20 0 DCADMM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820633801 607219330 /nfs/dbraw/zinc/21/93/30/607219330.db2.gz DQBIRSVSXSAQQF-XHDPSFHLSA-N -1 1 324.348 0.305 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000823125987 607219530 /nfs/dbraw/zinc/21/95/30/607219530.db2.gz DOKTWANIWWXPIF-QWRGUYRKSA-N -1 1 316.369 0.543 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823127028 607219969 /nfs/dbraw/zinc/21/99/69/607219969.db2.gz QZKLZICINHMFBN-RYUDHWBXSA-N -1 1 324.348 0.206 20 0 DCADMM CC1(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCCC1 ZINC000820612466 607222804 /nfs/dbraw/zinc/22/28/04/607222804.db2.gz FFDOFZZTZQHBSL-UHFFFAOYSA-N -1 1 304.358 0.545 20 0 DCADMM O=c1ccc(C(F)(F)F)nn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826501645 607846399 /nfs/dbraw/zinc/84/63/99/607846399.db2.gz AINCAAWZQBJKKU-UHFFFAOYSA-N -1 1 323.238 0.886 20 0 DCADMM O=c1ccc(C(F)(F)F)nn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826501645 607846400 /nfs/dbraw/zinc/84/64/00/607846400.db2.gz AINCAAWZQBJKKU-UHFFFAOYSA-N -1 1 323.238 0.886 20 0 DCADMM CC(=O)N1CC[C@@H](CN(C)c2cccc(-c3nnn[n-]3)n2)C1 ZINC000823974859 607849365 /nfs/dbraw/zinc/84/93/65/607849365.db2.gz TVTYPLIOWZUBEF-NSHDSACASA-N -1 1 301.354 0.566 20 0 DCADMM CC(=O)N1CC[C@@H](CN(C)c2cccc(-c3nn[n-]n3)n2)C1 ZINC000823974859 607849366 /nfs/dbraw/zinc/84/93/66/607849366.db2.gz TVTYPLIOWZUBEF-NSHDSACASA-N -1 1 301.354 0.566 20 0 DCADMM O[C@@]1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCOC1 ZINC000826505665 607851411 /nfs/dbraw/zinc/85/14/11/607851411.db2.gz BMHZDJLMPOGJDQ-CQSZACIVSA-N -1 1 313.321 0.373 20 0 DCADMM O[C@@]1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCOC1 ZINC000826505665 607851412 /nfs/dbraw/zinc/85/14/12/607851412.db2.gz BMHZDJLMPOGJDQ-CQSZACIVSA-N -1 1 313.321 0.373 20 0 DCADMM c1cnc(N2CC[C@H](C3CCOCC3)C2)c(-c2nnn[n-]2)n1 ZINC000826525796 607851755 /nfs/dbraw/zinc/85/17/55/607851755.db2.gz ZMKKYQLFNZFVDO-NSHDSACASA-N -1 1 301.354 0.910 20 0 DCADMM c1cnc(N2CC[C@H](C3CCOCC3)C2)c(-c2nn[n-]n2)n1 ZINC000826525796 607851756 /nfs/dbraw/zinc/85/17/56/607851756.db2.gz ZMKKYQLFNZFVDO-NSHDSACASA-N -1 1 301.354 0.910 20 0 DCADMM COCCS(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826163447 607866760 /nfs/dbraw/zinc/86/67/60/607866760.db2.gz VFSSDVDONLBRJC-UHFFFAOYSA-N -1 1 302.287 0.361 20 0 DCADMM COCCS(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826163447 607866761 /nfs/dbraw/zinc/86/67/61/607866761.db2.gz VFSSDVDONLBRJC-UHFFFAOYSA-N -1 1 302.287 0.361 20 0 DCADMM Cc1cc(C)cc(OC[C@H](O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826265154 607868808 /nfs/dbraw/zinc/86/88/08/607868808.db2.gz NSHXZVNDBDUAAU-LLVKDONJSA-N -1 1 315.337 0.515 20 0 DCADMM c1ccc(-n2nnnc2Sc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521114 607987473 /nfs/dbraw/zinc/98/74/73/607987473.db2.gz ZXWXLOKANXOMJQ-UHFFFAOYSA-N -1 1 324.333 0.784 20 0 DCADMM c1ccc(-n2nnnc2Sc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521114 607987474 /nfs/dbraw/zinc/98/74/74/607987474.db2.gz ZXWXLOKANXOMJQ-UHFFFAOYSA-N -1 1 324.333 0.784 20 0 DCADMM c1csc([C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)n1 ZINC000826525845 607990349 /nfs/dbraw/zinc/99/03/49/607990349.db2.gz BCXVDLPPKDSGPJ-SECBINFHSA-N -1 1 316.350 0.691 20 0 DCADMM c1csc([C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)n1 ZINC000826525845 607990350 /nfs/dbraw/zinc/99/03/50/607990350.db2.gz BCXVDLPPKDSGPJ-SECBINFHSA-N -1 1 316.350 0.691 20 0 DCADMM C[C@@H](Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O)c1ccccc1 ZINC000824465664 608095724 /nfs/dbraw/zinc/09/57/24/608095724.db2.gz RCPFSBMZARPRCW-JTQLQIEISA-N -1 1 312.333 0.531 20 0 DCADMM NC(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000826392351 608099708 /nfs/dbraw/zinc/09/97/08/608099708.db2.gz VEPFQBPASSAUEC-SECBINFHSA-N -1 1 324.348 0.662 20 0 DCADMM NC(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000826392351 608099709 /nfs/dbraw/zinc/09/97/09/608099709.db2.gz VEPFQBPASSAUEC-SECBINFHSA-N -1 1 324.348 0.662 20 0 DCADMM O=C(N[C@@H](CO)C1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426384 608186137 /nfs/dbraw/zinc/18/61/37/608186137.db2.gz LYLMLJGAWSNPQU-ZDUSSCGKSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(N[C@@H](CO)C1CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426384 608186139 /nfs/dbraw/zinc/18/61/39/608186139.db2.gz LYLMLJGAWSNPQU-ZDUSSCGKSA-N -1 1 316.365 0.933 20 0 DCADMM CC/C=C(\C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825220865 608212734 /nfs/dbraw/zinc/21/27/34/608212734.db2.gz XDFUJZYBBOFVOU-RMKNXTFCSA-N -1 1 318.385 0.919 20 0 DCADMM CC/C=C(\C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825220865 608212736 /nfs/dbraw/zinc/21/27/36/608212736.db2.gz XDFUJZYBBOFVOU-RMKNXTFCSA-N -1 1 318.385 0.919 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(OCCO)CC1 ZINC000826472828 608278139 /nfs/dbraw/zinc/27/81/39/608278139.db2.gz YBTGOUYXHCJYJL-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(OCCO)CC1 ZINC000826472828 608278141 /nfs/dbraw/zinc/27/81/41/608278141.db2.gz YBTGOUYXHCJYJL-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM CC(C)c1nnc2n1CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000824364701 608415013 /nfs/dbraw/zinc/41/50/13/608415013.db2.gz QIEYNCOCSDTOPK-UHFFFAOYSA-N -1 1 312.341 0.392 20 0 DCADMM CC(C)c1nnc2n1CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000824364701 608415015 /nfs/dbraw/zinc/41/50/15/608415015.db2.gz QIEYNCOCSDTOPK-UHFFFAOYSA-N -1 1 312.341 0.392 20 0 DCADMM C[C@@H](CO)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824441174 608440291 /nfs/dbraw/zinc/44/02/91/608440291.db2.gz OPUBEQAPTVRQQJ-ZETCQYMHSA-N -1 1 315.330 0.007 20 0 DCADMM CCN(Cc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000825428473 608498332 /nfs/dbraw/zinc/49/83/32/608498332.db2.gz OHWDBSCJTOEKOP-SECBINFHSA-N -1 1 311.367 0.469 20 0 DCADMM Nc1n[nH]c(CCCNc2ccncc2F)c1-c1nn[n-]n1 ZINC000826394903 608541602 /nfs/dbraw/zinc/54/16/02/608541602.db2.gz DHHPVMSJNMCIQN-UHFFFAOYSA-N -1 1 303.305 0.173 20 0 DCADMM CC(C)=C(C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824177729 608558476 /nfs/dbraw/zinc/55/84/76/608558476.db2.gz JMZPFQLVHQKKSI-UHFFFAOYSA-N -1 1 318.385 0.919 20 0 DCADMM CC(C)=C(C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824177729 608558478 /nfs/dbraw/zinc/55/84/78/608558478.db2.gz JMZPFQLVHQKKSI-UHFFFAOYSA-N -1 1 318.385 0.919 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCSC[C@@H]1CCO ZINC000826472263 608623428 /nfs/dbraw/zinc/62/34/28/608623428.db2.gz FCZHMALSRDIZJE-JTQLQIEISA-N -1 1 320.378 0.202 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCSC[C@@H]1CCO ZINC000826472263 608623430 /nfs/dbraw/zinc/62/34/30/608623430.db2.gz FCZHMALSRDIZJE-JTQLQIEISA-N -1 1 320.378 0.202 20 0 DCADMM Cn1c(Cn2ccnc2-c2nnn[n-]2)nnc1-c1ccccc1 ZINC000826355786 608890788 /nfs/dbraw/zinc/89/07/88/608890788.db2.gz NGGYIKDKLLXARE-UHFFFAOYSA-N -1 1 307.321 0.907 20 0 DCADMM Cn1c(Cn2ccnc2-c2nn[n-]n2)nnc1-c1ccccc1 ZINC000826355786 608890792 /nfs/dbraw/zinc/89/07/92/608890792.db2.gz NGGYIKDKLLXARE-UHFFFAOYSA-N -1 1 307.321 0.907 20 0 DCADMM CC(=O)c1ccccc1NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824029932 608893791 /nfs/dbraw/zinc/89/37/91/608893791.db2.gz VTGMOFISNQTXMN-UHFFFAOYSA-N -1 1 311.305 0.905 20 0 DCADMM CC(=O)c1ccccc1NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824029932 608893794 /nfs/dbraw/zinc/89/37/94/608893794.db2.gz VTGMOFISNQTXMN-UHFFFAOYSA-N -1 1 311.305 0.905 20 0 DCADMM CC[C@H](CSC)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825126667 609469454 /nfs/dbraw/zinc/46/94/54/609469454.db2.gz JMORAHGUGNFZPF-MRVPVSSYSA-N -1 1 310.383 0.963 20 0 DCADMM CC[C@H](CSC)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825126667 609469456 /nfs/dbraw/zinc/46/94/56/609469456.db2.gz JMORAHGUGNFZPF-MRVPVSSYSA-N -1 1 310.383 0.963 20 0 DCADMM O=C(NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1cnco1 ZINC000979058685 660653074 /nfs/dbraw/zinc/65/30/74/660653074.db2.gz NJOGZQOTKJISCD-AOOOYVTPSA-N -1 1 316.317 0.714 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)CC2CCC2)CCO1 ZINC000979254395 660696220 /nfs/dbraw/zinc/69/62/20/660696220.db2.gz LSYBHADUOFWVOY-JQWIXIFHSA-N -1 1 323.397 0.406 20 0 DCADMM O=C(N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1)c1cn[nH]c1 ZINC000979665146 660797805 /nfs/dbraw/zinc/79/78/05/660797805.db2.gz PCYOLCCXRJWNQX-HOMQSWHASA-N -1 1 315.333 0.449 20 0 DCADMM Cn1ncc(CN2CCC[C@@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001027843816 660827065 /nfs/dbraw/zinc/82/70/65/660827065.db2.gz IGAIQQGLELDVJM-GFCCVEGCSA-N -1 1 316.365 0.310 20 0 DCADMM Cn1ccc(CN2CCC[C@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001027844751 660829583 /nfs/dbraw/zinc/82/95/83/660829583.db2.gz XALZIBCLGZAFTO-ZDUSSCGKSA-N -1 1 315.377 0.915 20 0 DCADMM O=C(NC[C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1)c1ccc(Cl)[nH]1 ZINC000980444957 660940510 /nfs/dbraw/zinc/94/05/10/660940510.db2.gz ZKTYHEGFATXWMQ-ZKCHVHJHSA-N -1 1 322.756 0.725 20 0 DCADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2COC[C@H]2C)o1 ZINC000921495606 665307025 /nfs/dbraw/zinc/30/70/25/665307025.db2.gz DWEKBNAIPVDAAT-RKDXNWHRSA-N -1 1 303.336 0.770 20 0 DCADMM CCOCCS(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(=O)OCC ZINC000885772372 667701136 /nfs/dbraw/zinc/70/11/36/667701136.db2.gz PHFLDIWNKCYSBC-RYUDHWBXSA-N -1 1 323.411 0.443 20 0 DCADMM Cc1noc(C)c1C[NH+]1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001031757170 665453820 /nfs/dbraw/zinc/45/38/20/665453820.db2.gz JQFPCWHTYVQOSR-UHFFFAOYSA-N -1 1 317.349 0.649 20 0 DCADMM O=C(C[C@@H]1C=CCC1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998490173 665466505 /nfs/dbraw/zinc/46/65/05/665466505.db2.gz QKIGMNZVROOEDI-NEPJUHHUSA-N -1 1 305.382 0.947 20 0 DCADMM Cc1occc1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998480151 665464067 /nfs/dbraw/zinc/46/40/67/665464067.db2.gz IZBCZKFUPLJVNF-JTQLQIEISA-N -1 1 305.338 0.806 20 0 DCADMM Cc1cccc(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)n1 ZINC000998566578 665481388 /nfs/dbraw/zinc/48/13/88/665481388.db2.gz KNPMABAVEIWCTJ-NSHDSACASA-N -1 1 316.365 0.608 20 0 DCADMM CC(C)c1oncc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970391968 657464821 /nfs/dbraw/zinc/46/48/21/657464821.db2.gz VSWVQOBKIWCNDK-SECBINFHSA-N -1 1 320.353 0.626 20 0 DCADMM O=C(c1cc2c([nH]1)CCC2)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970458940 657538358 /nfs/dbraw/zinc/53/83/58/657538358.db2.gz HAEMORWAHIQHTF-SNVBAGLBSA-N -1 1 316.365 0.331 20 0 DCADMM O=C(c1cscn1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998723879 665511672 /nfs/dbraw/zinc/51/16/72/665511672.db2.gz SBVDILCPFZKQPC-MRVPVSSYSA-N -1 1 308.367 0.361 20 0 DCADMM O=C(C[C@H]1CCOC1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998804402 665528860 /nfs/dbraw/zinc/52/88/60/665528860.db2.gz KDYNJBIIGOKQAC-MNOVXSKESA-N -1 1 309.370 0.018 20 0 DCADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2cnnn2C)C1 ZINC000969541773 657968639 /nfs/dbraw/zinc/96/86/39/657968639.db2.gz BBNXHGXWAIYDEO-JTQLQIEISA-N -1 1 316.365 0.166 20 0 DCADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2cnon2)C1 ZINC000969543474 657969500 /nfs/dbraw/zinc/96/95/00/657969500.db2.gz OTLNDPBTGDWFQJ-VIFPVBQESA-N -1 1 303.322 0.421 20 0 DCADMM O=C(CCc1ccoc1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998886284 665546722 /nfs/dbraw/zinc/54/67/22/665546722.db2.gz QCPFGUQMAWCNEZ-LBPRGKRZSA-N -1 1 319.365 0.817 20 0 DCADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C12CCC2 ZINC000866870122 658148234 /nfs/dbraw/zinc/14/82/34/658148234.db2.gz YQXVRIRMKIGOLW-VHSXEESVSA-N -1 1 310.441 0.896 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2cccs2)C1 ZINC000971008770 658177186 /nfs/dbraw/zinc/17/71/86/658177186.db2.gz IVITUTABXPKMCW-JTQLQIEISA-N -1 1 321.406 0.516 20 0 DCADMM CC[C@@H](SC)C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998927723 665550789 /nfs/dbraw/zinc/55/07/89/665550789.db2.gz OMTKVLWKGGDOLX-VHSXEESVSA-N -1 1 313.427 0.733 20 0 DCADMM Cn1cc(CN[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)nn1 ZINC000998998018 665560088 /nfs/dbraw/zinc/56/00/88/665560088.db2.gz WLWYTWNTCGJKQX-NSHDSACASA-N -1 1 316.365 0.310 20 0 DCADMM Cc1ccoc1C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1 ZINC000971084132 658256547 /nfs/dbraw/zinc/25/65/47/658256547.db2.gz SIPNGFHGECBIRV-NSHDSACASA-N -1 1 319.365 0.356 20 0 DCADMM Cn1cc(CN[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)nn1 ZINC000998998016 665560283 /nfs/dbraw/zinc/56/02/83/665560283.db2.gz WLWYTWNTCGJKQX-LLVKDONJSA-N -1 1 316.365 0.310 20 0 DCADMM Cc1ccn(C)c1C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000999017225 665563447 /nfs/dbraw/zinc/56/34/47/665563447.db2.gz GUYSGBNXQIZCJG-LLVKDONJSA-N -1 1 318.381 0.552 20 0 DCADMM CC(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1 ZINC001039514212 658618124 /nfs/dbraw/zinc/61/81/24/658618124.db2.gz HDNGSWVSKIPFOG-TXEJJXNPSA-N -1 1 307.398 0.330 20 0 DCADMM 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O=C(NC[C@H]1CCN1C(=O)[C@]12C[C@H]1COC2)c1ncccc1[O-] ZINC000949541317 670366544 /nfs/dbraw/zinc/36/65/44/670366544.db2.gz FCUMCHIBUWZMQA-USBNGQNGSA-N -1 1 317.345 0.154 20 0 DCADMM Cc1cccnc1C=CC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000807993279 670384248 /nfs/dbraw/zinc/38/42/48/670384248.db2.gz YNHHKQBPGWCFRP-PLNGDYQASA-N -1 1 314.349 0.427 20 0 DCADMM Cn1[n-]c(CN2CCN(C(=O)[C@@H]3CCC3(C)C)CC2)nc1=O ZINC000949763797 670425806 /nfs/dbraw/zinc/42/58/06/670425806.db2.gz XEOUQEBCCBOMIY-NSHDSACASA-N -1 1 307.398 0.189 20 0 DCADMM COC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2c(C)onc2N)C1 ZINC000809814108 670462243 /nfs/dbraw/zinc/46/22/43/670462243.db2.gz ZRDDLVIBWNAQPO-MRVPVSSYSA-N -1 1 318.355 0.074 20 0 DCADMM O=C(NC[C@H]1CCN1C(=O)c1ncccc1[O-])[C@H]1CC12CC2 ZINC000952249336 670467654 /nfs/dbraw/zinc/46/76/54/670467654.db2.gz XVYXLKXRYJLKDU-GHMZBOCLSA-N -1 1 301.346 0.918 20 0 DCADMM Cc1cc(C(F)(F)F)ncc1NC(=O)NN1CC(=O)[N-]C1=O ZINC000810266575 670478488 /nfs/dbraw/zinc/47/84/88/670478488.db2.gz QFLDZJWTXGAEKF-UHFFFAOYSA-N -1 1 317.227 0.997 20 0 DCADMM COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810585389 670490748 /nfs/dbraw/zinc/49/07/48/670490748.db2.gz SVMDSUUOKXJCEB-GXFFZTMASA-N -1 1 324.418 0.680 20 0 DCADMM COc1ccc(CN2CC[C@@H](OC(=O)c3cn[n-]n3)C2=O)cc1 ZINC000853918292 670504994 /nfs/dbraw/zinc/50/49/94/670504994.db2.gz KPQNEHYPNLQECP-CYBMUJFWSA-N -1 1 316.317 0.771 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc2[nH]c(=O)oc21 ZINC000811596513 670539372 /nfs/dbraw/zinc/53/93/72/670539372.db2.gz NGIXXTZZMSOYBI-UHFFFAOYSA-N -1 1 316.273 0.412 20 0 DCADMM O=C([N-]C[C@H]1CCCN(C(=O)c2cn[nH]n2)C1)C(F)(F)F ZINC000812278872 670570498 /nfs/dbraw/zinc/57/04/98/670570498.db2.gz QFNZJBMXFFCDPV-SSDOTTSWSA-N -1 1 305.260 0.335 20 0 DCADMM CS(=O)(=O)N1CCC(CC(=O)[N-]OCC(F)(F)F)CC1 ZINC000847589199 670579549 /nfs/dbraw/zinc/57/95/49/670579549.db2.gz WPMNQGNPYMVQFB-UHFFFAOYSA-N -1 1 318.317 0.658 20 0 DCADMM CCn1ncn(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1=O ZINC000854630086 670602272 /nfs/dbraw/zinc/60/22/72/670602272.db2.gz SNPLDGCZLATYRA-UHFFFAOYSA-N -1 1 306.326 0.376 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ocnc2C)o1 ZINC000814100512 670676964 /nfs/dbraw/zinc/67/69/64/670676964.db2.gz WVIJCZLXFGEBDN-UHFFFAOYSA-N -1 1 300.292 0.841 20 0 DCADMM CCOC(=O)C(C)(C)O[N-]C(=O)c1cccn2c(=O)[nH]nc12 ZINC000855133657 670679872 /nfs/dbraw/zinc/67/98/72/670679872.db2.gz MCOKXVKCLKLZEU-UHFFFAOYSA-N -1 1 308.294 0.438 20 0 DCADMM Cc1nc(S(=O)(=O)[N-]CCCc2cnn(C)n2)sc1C ZINC000815053124 670713191 /nfs/dbraw/zinc/71/31/91/670713191.db2.gz BZONUVGAGNXCPP-UHFFFAOYSA-N -1 1 315.424 0.800 20 0 DCADMM Cc1cc(C)cc(CNC(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC000855616173 670736522 /nfs/dbraw/zinc/73/65/22/670736522.db2.gz NCZKWQIGPQLMBF-UHFFFAOYSA-N -1 1 301.346 0.860 20 0 DCADMM O=C(COC(=O)[C@@H]1CCNC(=O)CC1)[N-]C(=O)c1ccccc1 ZINC000815420988 670739855 /nfs/dbraw/zinc/73/98/55/670739855.db2.gz DJKOVJRBKJLONE-LBPRGKRZSA-N -1 1 318.329 0.403 20 0 DCADMM O=C1OCC[C@@H]1[N-]S(=O)(=O)c1ncccc1Br ZINC000849367338 670782297 /nfs/dbraw/zinc/78/22/97/670782297.db2.gz CEKKRWJCYXAVAZ-ZETCQYMHSA-N -1 1 321.152 0.438 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCCc2cn[nH]c2)o1 ZINC000816161429 670789747 /nfs/dbraw/zinc/78/97/47/670789747.db2.gz QZYRHBRPWVBALN-UHFFFAOYSA-N -1 1 313.335 0.700 20 0 DCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C=O)c[nH]2)c1 ZINC000816778853 670864056 /nfs/dbraw/zinc/86/40/56/670864056.db2.gz MVTDBDOQGBDMQE-UHFFFAOYSA-N -1 1 323.330 0.693 20 0 DCADMM C[C@H]1CC(=O)NCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000857141166 670888497 /nfs/dbraw/zinc/88/84/97/670888497.db2.gz QMYQNKYUMMCZLV-QMMMGPOBSA-N -1 1 305.363 0.369 20 0 DCADMM CNC(=O)CN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817292463 670910348 /nfs/dbraw/zinc/91/03/48/670910348.db2.gz HMCMLALVLXMHBC-JTQLQIEISA-N -1 1 315.295 0.842 20 0 DCADMM CS(=O)(=O)N1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858364137 670997136 /nfs/dbraw/zinc/99/71/36/670997136.db2.gz RTRUEQAFBYJTJV-SSDOTTSWSA-N -1 1 306.775 0.672 20 0 DCADMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858444003 671004625 /nfs/dbraw/zinc/00/46/25/671004625.db2.gz YYFVIQNYJDGAGP-SFYZADRCSA-N -1 1 320.802 0.965 20 0 DCADMM COC(=O)c1oc(S(=O)(=O)[N-]CCC[S@@](C)=O)cc1C ZINC000851763774 671028661 /nfs/dbraw/zinc/02/86/61/671028661.db2.gz DYAOBUMZGQXUFM-LJQANCHMSA-N -1 1 323.392 0.422 20 0 DCADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)OC2=O)cc1C ZINC000851789016 671033752 /nfs/dbraw/zinc/03/37/52/671033752.db2.gz JPLBJIBWMFHKMX-HTQZYQBOSA-N -1 1 317.319 0.357 20 0 DCADMM Cn1cc(S(=O)(=O)[N-]Cc2ncccn2)c(C(F)(F)F)n1 ZINC000851816806 671040763 /nfs/dbraw/zinc/04/07/63/671040763.db2.gz NBKYPBVTINKFPH-UHFFFAOYSA-N -1 1 321.284 0.707 20 0 DCADMM CO[C@H](CS(=O)(=O)[N-][C@H]1CCCC12OCCO2)C1CC1 ZINC000851818015 671040860 /nfs/dbraw/zinc/04/08/60/671040860.db2.gz NCPWVSZXJAZGLY-NEPJUHHUSA-N -1 1 305.396 0.626 20 0 DCADMM COC(=O)CCNC(=O)CCNc1cc(Cl)[n-]c(=O)n1 ZINC000858800888 671042827 /nfs/dbraw/zinc/04/28/27/671042827.db2.gz STJKBMPEAIYJLM-UHFFFAOYSA-N -1 1 302.718 0.317 20 0 DCADMM COC(=O)[C@](C)(CCF)NCCC[N-]C(=O)C(F)(F)F ZINC000852578295 671141712 /nfs/dbraw/zinc/14/17/12/671141712.db2.gz ICGQUEAYQPFAFD-JTQLQIEISA-N -1 1 302.268 0.936 20 0 DCADMM CO[C@@]1(C(=O)[O-])CCN(Cc2cnnn2-c2ccccc2)C1 ZINC000859819830 671148066 /nfs/dbraw/zinc/14/80/66/671148066.db2.gz NBCOIDVENNHPKI-HNNXBMFYSA-N -1 1 302.334 0.943 20 0 DCADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1C[C@H]1CCOC1 ZINC000852735447 671154278 /nfs/dbraw/zinc/15/42/78/671154278.db2.gz IDXHXIOADYBRDZ-UTLUCORTSA-N -1 1 324.299 0.619 20 0 DCADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)c2nnnn2C)c1 ZINC000820921940 671238555 /nfs/dbraw/zinc/23/85/55/671238555.db2.gz RXTLDTONILEGHB-GTUYJWLHSA-N -1 1 324.362 0.631 20 0 DCADMM COc1cc(COCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)ccn1 ZINC000860786243 671238606 /nfs/dbraw/zinc/23/86/06/671238606.db2.gz ZRLJCKSWCDNLBU-SNVBAGLBSA-N -1 1 320.353 0.382 20 0 DCADMM COC(=O)CCN1CC[C@H](O[N-]C(=O)CC(C)(C)C)C1=O ZINC000853705709 671260506 /nfs/dbraw/zinc/26/05/06/671260506.db2.gz BAZPKWOHYAKBOS-JTQLQIEISA-N -1 1 300.355 0.634 20 0 DCADMM Cc1ccc(F)c(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000823192410 671377159 /nfs/dbraw/zinc/37/71/59/671377159.db2.gz VCWGTAQNCKSASZ-LBPRGKRZSA-N -1 1 305.313 0.790 20 0 DCADMM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000823381088 671391469 /nfs/dbraw/zinc/39/14/69/671391469.db2.gz IPXDDYXRYPSYHO-VGMNWLOBSA-N -1 1 312.288 0.366 20 0 DCADMM Cn1cnnc1[C@H](CO)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000824833132 671441793 /nfs/dbraw/zinc/44/17/93/671441793.db2.gz VXHRZJHQRJOSGD-JTQLQIEISA-N -1 1 314.267 0.896 20 0 DCADMM CC[C@@H]1CO[C@H](C)CN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825219273 671453515 /nfs/dbraw/zinc/45/35/15/671453515.db2.gz ITMWFHBXHMQUEK-PSASIEDQSA-N -1 1 320.353 0.732 20 0 DCADMM CC[C@@H]1CO[C@H](C)CN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825219273 671453517 /nfs/dbraw/zinc/45/35/17/671453517.db2.gz ITMWFHBXHMQUEK-PSASIEDQSA-N -1 1 320.353 0.732 20 0 DCADMM CCc1ncc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cn1 ZINC000825749729 671471181 /nfs/dbraw/zinc/47/11/81/671471181.db2.gz GZLGPELZEBBDGS-UHFFFAOYSA-N -1 1 314.309 0.697 20 0 DCADMM CCc1ncc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cn1 ZINC000825749729 671471182 /nfs/dbraw/zinc/47/11/82/671471182.db2.gz GZLGPELZEBBDGS-UHFFFAOYSA-N -1 1 314.309 0.697 20 0 DCADMM CCc1nnc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)s1 ZINC000825767491 671471742 /nfs/dbraw/zinc/47/17/42/671471742.db2.gz LCXGWTDCRZTWGA-UHFFFAOYSA-N -1 1 320.338 0.758 20 0 DCADMM CCc1nnc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)s1 ZINC000825767491 671471744 /nfs/dbraw/zinc/47/17/44/671471744.db2.gz LCXGWTDCRZTWGA-UHFFFAOYSA-N -1 1 320.338 0.758 20 0 DCADMM COC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(C)C ZINC000826150959 671481493 /nfs/dbraw/zinc/48/14/93/671481493.db2.gz PWVOGLUHOUTSSP-SNVBAGLBSA-N -1 1 308.342 0.493 20 0 DCADMM COC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(C)C ZINC000826150959 671481495 /nfs/dbraw/zinc/48/14/95/671481495.db2.gz PWVOGLUHOUTSSP-SNVBAGLBSA-N -1 1 308.342 0.493 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)OC[C@H]2C)c1-c1nnn[n-]1 ZINC000826343487 671484727 /nfs/dbraw/zinc/48/47/27/671484727.db2.gz CJBYPNNVXLQDFE-SFYZADRCSA-N -1 1 306.326 0.341 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)OC[C@H]2C)c1-c1nn[n-]n1 ZINC000826343487 671484729 /nfs/dbraw/zinc/48/47/29/671484729.db2.gz CJBYPNNVXLQDFE-SFYZADRCSA-N -1 1 306.326 0.341 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCCC[C@@H]2O)c1-c1nnn[n-]1 ZINC000826347338 671486067 /nfs/dbraw/zinc/48/60/67/671486067.db2.gz NWIIGKACVVWYJA-KOLCDFICSA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCCC[C@@H]2O)c1-c1nn[n-]n1 ZINC000826347338 671486069 /nfs/dbraw/zinc/48/60/69/671486069.db2.gz NWIIGKACVVWYJA-KOLCDFICSA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CC[C@H](CO)CC2)c1-c1nnn[n-]1 ZINC000826348441 671486456 /nfs/dbraw/zinc/48/64/56/671486456.db2.gz MEGSPZJRLZNCJC-MGCOHNPYSA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CC[C@H](CO)CC2)c1-c1nn[n-]n1 ZINC000826348441 671486457 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/nfs/dbraw/zinc/40/46/75/1164404675.db2.gz CYPQNCOUYPNEDN-VHSXEESVSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576589634 1164406189 /nfs/dbraw/zinc/40/61/89/1164406189.db2.gz MUSAYKINYPOZDC-NXEZZACHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576589634 1164406194 /nfs/dbraw/zinc/40/61/94/1164406194.db2.gz MUSAYKINYPOZDC-NXEZZACHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576590310 1164407098 /nfs/dbraw/zinc/40/70/98/1164407098.db2.gz WWSJGSMLPOANIZ-VHSXEESVSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576590310 1164407103 /nfs/dbraw/zinc/40/71/03/1164407103.db2.gz WWSJGSMLPOANIZ-VHSXEESVSA-N -1 1 316.369 0.398 20 0 DCADMM CCC(CC)(NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1nn[n-]n1 ZINC001576718110 1164442644 /nfs/dbraw/zinc/44/26/44/1164442644.db2.gz LERDXVGQJJHNHR-UHFFFAOYSA-N -1 1 316.329 0.153 20 0 DCADMM CC[C@H](CNC(=O)C1(C)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576780705 1164461104 /nfs/dbraw/zinc/46/11/04/1164461104.db2.gz ZHDCPOSBQATUFN-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)C1(C)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576780705 1164461110 /nfs/dbraw/zinc/46/11/10/1164461110.db2.gz ZHDCPOSBQATUFN-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576925515 1164534637 /nfs/dbraw/zinc/53/46/37/1164534637.db2.gz OBSUSCZQRLJNTM-BDAKNGLRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576925515 1164534640 /nfs/dbraw/zinc/53/46/40/1164534640.db2.gz OBSUSCZQRLJNTM-BDAKNGLRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576926117 1164538448 /nfs/dbraw/zinc/53/84/48/1164538448.db2.gz HJVFDPKFULOIBP-SECBINFHSA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576926117 1164538450 /nfs/dbraw/zinc/53/84/50/1164538450.db2.gz HJVFDPKFULOIBP-SECBINFHSA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576951224 1164552250 /nfs/dbraw/zinc/55/22/50/1164552250.db2.gz HCZPZEAATFPUHS-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576951224 1164552257 /nfs/dbraw/zinc/55/22/57/1164552257.db2.gz HCZPZEAATFPUHS-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576957476 1164558157 /nfs/dbraw/zinc/55/81/57/1164558157.db2.gz TUSFRVOTXVAERN-BDAKNGLRSA-N -1 1 322.348 0.569 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576957476 1164558165 /nfs/dbraw/zinc/55/81/65/1164558165.db2.gz TUSFRVOTXVAERN-BDAKNGLRSA-N -1 1 322.348 0.569 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576965062 1164560709 /nfs/dbraw/zinc/56/07/09/1164560709.db2.gz GTUVLWTTXBRHEO-HRDYMLBCSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576965062 1164560715 /nfs/dbraw/zinc/56/07/15/1164560715.db2.gz GTUVLWTTXBRHEO-HRDYMLBCSA-N -1 1 320.332 0.464 20 0 DCADMM CCCC(=O)N[C@@H](C)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001577202267 1164632765 /nfs/dbraw/zinc/63/27/65/1164632765.db2.gz CTLVBLUIHHSQIM-JTQLQIEISA-N -1 1 318.385 0.706 20 0 DCADMM CCCC(=O)N[C@@H](C)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001577202267 1164632768 /nfs/dbraw/zinc/63/27/68/1164632768.db2.gz CTLVBLUIHHSQIM-JTQLQIEISA-N -1 1 318.385 0.706 20 0 DCADMM CCCC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577203144 1164633491 /nfs/dbraw/zinc/63/34/91/1164633491.db2.gz PLJQJFSPARSXKZ-AWEZNQCLSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577203144 1164633493 /nfs/dbraw/zinc/63/34/93/1164633493.db2.gz PLJQJFSPARSXKZ-AWEZNQCLSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577213360 1164636422 /nfs/dbraw/zinc/63/64/22/1164636422.db2.gz AQGSGVGAOBUYMQ-VIFPVBQESA-N -1 1 304.358 0.043 20 0 DCADMM CCCC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001577225048 1164641951 /nfs/dbraw/zinc/64/19/51/1164641951.db2.gz HPVHMQQFMVIUMS-JZYVYDRUSA-N -1 1 314.353 0.008 20 0 DCADMM CCCC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001577225048 1164641958 /nfs/dbraw/zinc/64/19/58/1164641958.db2.gz HPVHMQQFMVIUMS-JZYVYDRUSA-N -1 1 314.353 0.008 20 0 DCADMM CCCC(=O)N[C@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577225388 1164644130 /nfs/dbraw/zinc/64/41/30/1164644130.db2.gz PWAIZKIKCWONAE-MGCOHNPYSA-N -1 1 316.369 0.824 20 0 DCADMM CCCC(=O)N[C@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577225388 1164644131 /nfs/dbraw/zinc/64/41/31/1164644131.db2.gz PWAIZKIKCWONAE-MGCOHNPYSA-N -1 1 316.369 0.824 20 0 DCADMM CCC[C@@H](C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001577278596 1164658115 /nfs/dbraw/zinc/65/81/15/1164658115.db2.gz JCQHWELWDYWSHD-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CCC[C@@H](C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001577278596 1164658122 /nfs/dbraw/zinc/65/81/22/1164658122.db2.gz JCQHWELWDYWSHD-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577425881 1164689996 /nfs/dbraw/zinc/68/99/96/1164689996.db2.gz DQQIJYNOCZXNKG-MGCOHNPYSA-N -1 1 316.369 0.906 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577425881 1164690000 /nfs/dbraw/zinc/69/00/00/1164690000.db2.gz DQQIJYNOCZXNKG-MGCOHNPYSA-N -1 1 316.369 0.906 20 0 DCADMM CCN(CCNC(=O)C1(C)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001577932948 1164849221 /nfs/dbraw/zinc/84/92/21/1164849221.db2.gz NESRDNIUGWHLLL-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@H]1C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577941477 1164853481 /nfs/dbraw/zinc/85/34/81/1164853481.db2.gz MQCJLOCLSDUMLH-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@H]1C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577941477 1164853488 /nfs/dbraw/zinc/85/34/88/1164853488.db2.gz MQCJLOCLSDUMLH-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM O=S(=O)([N-][C@@H](CO)c1cn[nH]n1)C1=Cc2ccccc2OC1 ZINC001578048536 1164908578 /nfs/dbraw/zinc/90/85/78/1164908578.db2.gz PEJJGZKIQIPBBL-LBPRGKRZSA-N -1 1 322.346 0.191 20 0 DCADMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)CC1CC1 ZINC001578141410 1164934947 /nfs/dbraw/zinc/93/49/47/1164934947.db2.gz PINCRIOXYCNQQK-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)CC1CC1 ZINC001578141410 1164934951 /nfs/dbraw/zinc/93/49/51/1164934951.db2.gz PINCRIOXYCNQQK-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)C1CCC1 ZINC001578141297 1164935609 /nfs/dbraw/zinc/93/56/09/1164935609.db2.gz MAODPVJRDZKJLM-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)C1CCC1 ZINC001578141297 1164935616 /nfs/dbraw/zinc/93/56/16/1164935616.db2.gz MAODPVJRDZKJLM-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)[C@@H]1C[C@H]1C ZINC001578145878 1164936166 /nfs/dbraw/zinc/93/61/66/1164936166.db2.gz ZLRCSZCPGISYHP-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)[C@@H]1C[C@H]1C ZINC001578145878 1164936175 /nfs/dbraw/zinc/93/61/75/1164936175.db2.gz ZLRCSZCPGISYHP-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001578428450 1165012484 /nfs/dbraw/zinc/01/24/84/1165012484.db2.gz HXMFXZMPMWKRAL-RKDXNWHRSA-N -1 1 318.385 0.609 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001578428450 1165012490 /nfs/dbraw/zinc/01/24/90/1165012490.db2.gz HXMFXZMPMWKRAL-RKDXNWHRSA-N -1 1 318.385 0.609 20 0 DCADMM CCc1nc(N[C@@H](CNC(C)=O)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001578634486 1165072413 /nfs/dbraw/zinc/07/24/13/1165072413.db2.gz SGUCDXQDQMKHLT-NSHDSACASA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(N[C@@H](CNC(C)=O)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001578634486 1165072418 /nfs/dbraw/zinc/07/24/18/1165072418.db2.gz SGUCDXQDQMKHLT-NSHDSACASA-N -1 1 316.369 0.546 20 0 DCADMM CCn1cc(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)nn1 ZINC001578753637 1165096010 /nfs/dbraw/zinc/09/60/10/1165096010.db2.gz KABKWWVACDEOKB-UHFFFAOYSA-N -1 1 315.297 0.134 20 0 DCADMM CN(C(=O)c1cc(Cl)n(C)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578911652 1165157472 /nfs/dbraw/zinc/15/74/72/1165157472.db2.gz HTUBOUHUXLPDMF-UHFFFAOYSA-N -1 1 318.728 0.925 20 0 DCADMM CN(C)C(=O)[C@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001578954953 1165169062 /nfs/dbraw/zinc/16/90/62/1165169062.db2.gz AAWFXEHPINITSD-QMMMGPOBSA-N -1 1 320.378 0.479 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)C1CCCC1 ZINC001579217599 1165239965 /nfs/dbraw/zinc/23/99/65/1165239965.db2.gz QDZKFVSEJDNAQT-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)C1CCCC1 ZINC001579217599 1165239974 /nfs/dbraw/zinc/23/99/74/1165239974.db2.gz QDZKFVSEJDNAQT-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)CC1(C)CC1 ZINC001579216889 1165241572 /nfs/dbraw/zinc/24/15/72/1165241572.db2.gz OUJNAUGLCOTMDW-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)CC1(C)CC1 ZINC001579216889 1165241577 /nfs/dbraw/zinc/24/15/77/1165241577.db2.gz OUJNAUGLCOTMDW-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM COc1cccc2c1CC[C@@]2(N)C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC001579288530 1165261109 /nfs/dbraw/zinc/26/11/09/1165261109.db2.gz SLBFXENIRZSJJJ-HNNXBMFYSA-N -1 1 318.333 0.543 20 0 DCADMM CN1C(=O)c2ccccc2[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001579311826 1165269156 /nfs/dbraw/zinc/26/91/56/1165269156.db2.gz NRSJLBWDYZGLGI-GFCCVEGCSA-N -1 1 322.332 0.896 20 0 DCADMM CN1C(=O)c2ccccc2[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001579311826 1165269163 /nfs/dbraw/zinc/26/91/63/1165269163.db2.gz NRSJLBWDYZGLGI-GFCCVEGCSA-N -1 1 322.332 0.896 20 0 DCADMM COC(=O)[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001579470395 1165319475 /nfs/dbraw/zinc/31/94/75/1165319475.db2.gz GDCKKRLCWOVXDP-WPRPVWTQSA-N -1 1 304.310 0.028 20 0 DCADMM COC(=O)[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001579470395 1165319485 /nfs/dbraw/zinc/31/94/85/1165319485.db2.gz GDCKKRLCWOVXDP-WPRPVWTQSA-N -1 1 304.310 0.028 20 0 DCADMM COC(=O)[C@H]1C[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001579474474 1165325006 /nfs/dbraw/zinc/32/50/06/1165325006.db2.gz FTGKKGNOGLTXLS-OCAPTIKFSA-N -1 1 321.362 0.744 20 0 DCADMM COC(=O)c1cc(Cn2ccc(-c3nn[n-]n3)cc2=O)oc1C ZINC001579479808 1165326665 /nfs/dbraw/zinc/32/66/65/1165326665.db2.gz URDMIQSDJSYJSD-UHFFFAOYSA-N -1 1 315.289 0.765 20 0 DCADMM COC(=O)c1ccc(OC)c(Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001579484463 1165328864 /nfs/dbraw/zinc/32/88/64/1165328864.db2.gz FMNNJNAAMNTZEE-UHFFFAOYSA-N -1 1 315.293 0.302 20 0 DCADMM COC(=O)c1ccc(NCc2nccn2C)c(-c2nnn[n-]2)n1 ZINC001579485428 1165329474 /nfs/dbraw/zinc/32/94/74/1165329474.db2.gz XDICNUHITIAEOB-UHFFFAOYSA-N -1 1 314.309 0.394 20 0 DCADMM COC(=O)c1ccc(NCc2nccn2C)c(-c2nn[n-]n2)n1 ZINC001579485428 1165329479 /nfs/dbraw/zinc/32/94/79/1165329479.db2.gz XDICNUHITIAEOB-UHFFFAOYSA-N -1 1 314.309 0.394 20 0 DCADMM COC(=O)c1cncnc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001579491030 1165330584 /nfs/dbraw/zinc/33/05/84/1165330584.db2.gz GWWYRYJQKXWKHX-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1cncnc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001579491030 1165330589 /nfs/dbraw/zinc/33/05/89/1165330589.db2.gz GWWYRYJQKXWKHX-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1cccnc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001579488376 1165332041 /nfs/dbraw/zinc/33/20/41/1165332041.db2.gz ARQSLNJOQPIFKX-UHFFFAOYSA-N -1 1 313.277 0.417 20 0 DCADMM COC(=O)c1occc1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001579492848 1165333065 /nfs/dbraw/zinc/33/30/65/1165333065.db2.gz AILABARSOMCTBT-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1occc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001579492848 1165333075 /nfs/dbraw/zinc/33/30/75/1165333075.db2.gz AILABARSOMCTBT-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCNC[C@@H]3C)cc2=O)n1 ZINC001579586949 1165352981 /nfs/dbraw/zinc/35/29/81/1165352981.db2.gz AYBCUJCPKXSJLZ-NSHDSACASA-N -1 1 316.365 0.006 20 0 DCADMM COCC(=O)NCCCNc1snc(C)c1-c1nn[n-]n1 ZINC001579640713 1165367452 /nfs/dbraw/zinc/36/74/52/1165367452.db2.gz HHAAIVIELUICOF-UHFFFAOYSA-N -1 1 311.371 0.196 20 0 DCADMM COC[C@H]1C[N@@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001579746629 1165385074 /nfs/dbraw/zinc/38/50/74/1165385074.db2.gz CTXWAXCNMCKYFY-ZIAGYGMSSA-N -1 1 319.365 0.247 20 0 DCADMM COC[C@@H]1C[N@@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001579746626 1165386370 /nfs/dbraw/zinc/38/63/70/1165386370.db2.gz CTXWAXCNMCKYFY-KBPBESRZSA-N -1 1 319.365 0.247 20 0 DCADMM COc1ccc(CCNc2ccnc(-c3nn[n-]n3)n2)cc1F ZINC001579995654 1165465882 /nfs/dbraw/zinc/46/58/82/1165465882.db2.gz CGCPQEDQSSVRIR-UHFFFAOYSA-N -1 1 315.312 0.881 20 0 DCADMM COc1ncc(NC(=O)C[C@H]2COC(=O)C2)cc1-c1nn[n-]n1 ZINC001580133596 1165513314 /nfs/dbraw/zinc/51/33/14/1165513314.db2.gz RJBVLAMPPWWQPT-SSDOTTSWSA-N -1 1 318.293 0.162 20 0 DCADMM COc1ncc(NC(=O)N[C@H](CO)C(C)C)cc1-c1nn[n-]n1 ZINC001580138769 1165515407 /nfs/dbraw/zinc/51/54/07/1165515407.db2.gz KSQDELTZMJXVTE-SNVBAGLBSA-N -1 1 321.341 0.409 20 0 DCADMM COc1nnccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001580151145 1165519195 /nfs/dbraw/zinc/51/91/95/1165519195.db2.gz HRZZGBXGZJLULK-UHFFFAOYSA-N -1 1 312.293 0.242 20 0 DCADMM COc1nnccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001580151145 1165519196 /nfs/dbraw/zinc/51/91/96/1165519196.db2.gz HRZZGBXGZJLULK-UHFFFAOYSA-N -1 1 312.293 0.242 20 0 DCADMM CS[C@H](C)C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001580187533 1165531705 /nfs/dbraw/zinc/53/17/05/1165531705.db2.gz HRMOKFNZSFZEJT-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001580187533 1165531709 /nfs/dbraw/zinc/53/17/09/1165531709.db2.gz HRMOKFNZSFZEJT-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001580187536 1165532062 /nfs/dbraw/zinc/53/20/62/1165532062.db2.gz HRMOKFNZSFZEJT-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001580187536 1165532069 /nfs/dbraw/zinc/53/20/69/1165532069.db2.gz HRMOKFNZSFZEJT-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001580189189 1165532465 /nfs/dbraw/zinc/53/24/65/1165532465.db2.gz HTTUAWKJUWQANB-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001580189189 1165532471 /nfs/dbraw/zinc/53/24/71/1165532471.db2.gz HTTUAWKJUWQANB-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC1(C)C ZINC001580290141 1165560106 /nfs/dbraw/zinc/56/01/06/1165560106.db2.gz DCYXMRZEPQUFOI-IUCAKERBSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001580368060 1165588018 /nfs/dbraw/zinc/58/80/18/1165588018.db2.gz TXTXPLJCSYHWGG-KXUCPTDWSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001580368060 1165588027 /nfs/dbraw/zinc/58/80/27/1165588027.db2.gz TXTXPLJCSYHWGG-KXUCPTDWSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C)CCC1 ZINC001580422451 1165599962 /nfs/dbraw/zinc/59/99/62/1165599962.db2.gz OHPDSXPQJAYBHK-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C)CCC1 ZINC001580422451 1165599970 /nfs/dbraw/zinc/59/99/70/1165599970.db2.gz OHPDSXPQJAYBHK-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM Cc1c(NC(=O)c2cccc(F)c2-c2nnn[n-]2)nnn1C ZINC001580559994 1165638874 /nfs/dbraw/zinc/63/88/74/1165638874.db2.gz QSILHGYOECSROI-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1c(NC(=O)c2cccc(F)c2-c2nn[n-]n2)nnn1C ZINC001580559994 1165638876 /nfs/dbraw/zinc/63/88/76/1165638876.db2.gz QSILHGYOECSROI-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1c[nH]c(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC001580575878 1165643617 /nfs/dbraw/zinc/64/36/17/1165643617.db2.gz XOFOWASLGZYTLG-UHFFFAOYSA-N -1 1 302.298 0.054 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H]1CCCO1 ZINC001580602945 1165652588 /nfs/dbraw/zinc/65/25/88/1165652588.db2.gz JDBCYDXNEYFKIF-QMMMGPOBSA-N -1 1 304.310 0.185 20 0 DCADMM Cc1cc(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)ncn1 ZINC001580928416 1165758526 /nfs/dbraw/zinc/75/85/26/1165758526.db2.gz HSIFKLYHQZDHMF-UHFFFAOYSA-N -1 1 311.305 0.646 20 0 DCADMM Cc1cc(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)ncn1 ZINC001580928416 1165758529 /nfs/dbraw/zinc/75/85/29/1165758529.db2.gz HSIFKLYHQZDHMF-UHFFFAOYSA-N -1 1 311.305 0.646 20 0 DCADMM Cc1cc(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)[nH]n1 ZINC001580925351 1165758799 /nfs/dbraw/zinc/75/87/99/1165758799.db2.gz BRWKRVNWUJEAOZ-UHFFFAOYSA-N -1 1 314.309 0.237 20 0 DCADMM Cc1cc(N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1O ZINC001580939995 1165760418 /nfs/dbraw/zinc/76/04/18/1165760418.db2.gz IFMPVTOOAPLBBQ-UHFFFAOYSA-N -1 1 314.309 0.135 20 0 DCADMM Cc1ccncc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001581289161 1165811759 /nfs/dbraw/zinc/81/17/59/1165811759.db2.gz NEOOYXDRDVZEEE-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1ccncc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001581289161 1165811767 /nfs/dbraw/zinc/81/17/67/1165811767.db2.gz NEOOYXDRDVZEEE-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnn3ncccc23)c1-c1nn[n-]n1 ZINC001581403198 1165820980 /nfs/dbraw/zinc/82/09/80/1165820980.db2.gz DDCDKQRAFUHHTL-UHFFFAOYSA-N -1 1 310.281 0.193 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](c3cnccn3)C2)n1 ZINC001581411417 1165823983 /nfs/dbraw/zinc/82/39/83/1165823983.db2.gz ZNYVKVIEGPPKBF-SNVBAGLBSA-N -1 1 309.337 0.749 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](c3cnccn3)C2)n1 ZINC001581411417 1165823986 /nfs/dbraw/zinc/82/39/86/1165823986.db2.gz ZNYVKVIEGPPKBF-SNVBAGLBSA-N -1 1 309.337 0.749 20 0 DCADMM Cc1ncoc1CNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001581581765 1165844224 /nfs/dbraw/zinc/84/42/24/1165844224.db2.gz REUAXORQOFSVIF-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)Cc1cnn(C)c1 ZINC001581726963 1165860863 /nfs/dbraw/zinc/86/08/63/1165860863.db2.gz CKDBPMMQRKLKII-MRVPVSSYSA-N -1 1 315.337 0.863 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)Cc1cnn(C)c1 ZINC001581726963 1165860871 /nfs/dbraw/zinc/86/08/71/1165860871.db2.gz CKDBPMMQRKLKII-MRVPVSSYSA-N -1 1 315.337 0.863 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](C)C[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001581739710 1165864996 /nfs/dbraw/zinc/86/49/96/1165864996.db2.gz XJGRSACBKGWVJT-WPRPVWTQSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](C)C[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001581739710 1165865005 /nfs/dbraw/zinc/86/50/05/1165865005.db2.gz XJGRSACBKGWVJT-WPRPVWTQSA-N -1 1 320.353 0.183 20 0 DCADMM Cn1ncc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c1Cl ZINC001581831515 1165883691 /nfs/dbraw/zinc/88/36/91/1165883691.db2.gz TZBOXJZJULLORH-UHFFFAOYSA-N -1 1 324.757 0.640 20 0 DCADMM Cn1ncc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c1Cl ZINC001581831515 1165883703 /nfs/dbraw/zinc/88/37/03/1165883703.db2.gz TZBOXJZJULLORH-UHFFFAOYSA-N -1 1 324.757 0.640 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001581900606 1165906285 /nfs/dbraw/zinc/90/62/85/1165906285.db2.gz NEDYAUMOHVOUAJ-KYZUINATSA-N -1 1 318.337 0.481 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001581900606 1165906289 /nfs/dbraw/zinc/90/62/89/1165906289.db2.gz NEDYAUMOHVOUAJ-KYZUINATSA-N -1 1 318.337 0.481 20 0 DCADMM O=C(CNC(=O)c1ccsc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582110707 1165958760 /nfs/dbraw/zinc/95/87/60/1165958760.db2.gz QYDGPTTUMRQMPC-UHFFFAOYSA-N -1 1 318.322 0.020 20 0 DCADMM O=C(CNC(=O)c1ccsc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582110707 1165958766 /nfs/dbraw/zinc/95/87/66/1165958766.db2.gz QYDGPTTUMRQMPC-UHFFFAOYSA-N -1 1 318.322 0.020 20 0 DCADMM O=C(COc1ccc(CO)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582127355 1165962922 /nfs/dbraw/zinc/96/29/22/1165962922.db2.gz KVFCOEPXWLLCID-UHFFFAOYSA-N -1 1 315.293 0.100 20 0 DCADMM O=C(COc1ccc(CO)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582127355 1165962931 /nfs/dbraw/zinc/96/29/31/1165962931.db2.gz KVFCOEPXWLLCID-UHFFFAOYSA-N -1 1 315.293 0.100 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)c1ccc2c(c1)CCO2 ZINC001582197992 1165981272 /nfs/dbraw/zinc/98/12/72/1165981272.db2.gz HZFWDBHFULNDGB-UHFFFAOYSA-N -1 1 324.300 0.241 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](C1CC1)C1CCC1 ZINC001582198190 1165981503 /nfs/dbraw/zinc/98/15/03/1165981503.db2.gz PLRTWMAHCIOZEP-NSHDSACASA-N -1 1 302.342 0.153 20 0 DCADMM O=C(N[C@@H](CO)C1CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001582233211 1165988222 /nfs/dbraw/zinc/98/82/22/1165988222.db2.gz ZUSSANIUAGWEHO-JTQLQIEISA-N -1 1 323.378 0.446 20 0 DCADMM O=C(N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccc([O-])cn1 ZINC001582337129 1166003226 /nfs/dbraw/zinc/00/32/26/1166003226.db2.gz AIMGQPWBZLRDBP-LBPRGKRZSA-N -1 1 322.328 0.865 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccc2nc[nH]c2n1 ZINC001582554686 1166041648 /nfs/dbraw/zinc/04/16/48/1166041648.db2.gz PZKILYCIRWUOQU-UHFFFAOYSA-N -1 1 321.304 0.463 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccc2nc[nH]c2n1 ZINC001582554686 1166041660 /nfs/dbraw/zinc/04/16/60/1166041660.db2.gz PZKILYCIRWUOQU-UHFFFAOYSA-N -1 1 321.304 0.463 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1csc(CO)n1 ZINC001582554974 1166041767 /nfs/dbraw/zinc/04/17/67/1166041767.db2.gz ZFHVOMJFOMJUAW-UHFFFAOYSA-N -1 1 317.334 0.141 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1csc(CO)n1 ZINC001582554974 1166041775 /nfs/dbraw/zinc/04/17/75/1166041775.db2.gz ZFHVOMJFOMJUAW-UHFFFAOYSA-N -1 1 317.334 0.141 20 0 DCADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001582592869 1166051411 /nfs/dbraw/zinc/05/14/11/1166051411.db2.gz ZFMDNFSFYQQSAP-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001582592869 1166051416 /nfs/dbraw/zinc/05/14/16/1166051416.db2.gz ZFMDNFSFYQQSAP-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2nccnc2C1 ZINC001582700916 1166069039 /nfs/dbraw/zinc/06/90/39/1166069039.db2.gz DOFHVGUODSBOOT-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2nccnc2C1 ZINC001582700916 1166069044 /nfs/dbraw/zinc/06/90/44/1166069044.db2.gz DOFHVGUODSBOOT-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC2(CC1)OCCO2 ZINC001582744742 1166074853 /nfs/dbraw/zinc/07/48/53/1166074853.db2.gz GCOWACWVLGNQTD-UHFFFAOYSA-N -1 1 321.362 0.907 20 0 DCADMM O=C1C[C@H](Nc2ncncc2-c2nn[n-]n2)CN1c1ccccc1 ZINC001582759603 1166076612 /nfs/dbraw/zinc/07/66/12/1166076612.db2.gz DLHWLVXHVUQAKR-JTQLQIEISA-N -1 1 322.332 0.874 20 0 DCADMM O=S(=O)(NCCC(F)F)c1ccc(F)cc1-c1nn[n-]n1 ZINC001582795482 1166084842 /nfs/dbraw/zinc/08/48/42/1166084842.db2.gz HRYMMYQEINDBFG-UHFFFAOYSA-N -1 1 321.284 0.939 20 0 DCADMM O[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@H]1Cc1ccccc1 ZINC001582813354 1166092973 /nfs/dbraw/zinc/09/29/73/1166092973.db2.gz CVIKQQWIYHDROL-TZMCWYRMSA-N -1 1 323.360 0.697 20 0 DCADMM OC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C(F)(F)F ZINC001582814129 1166093265 /nfs/dbraw/zinc/09/32/65/1166093265.db2.gz VDKZBHKNCGMIOA-NKWVEPMBSA-N -1 1 315.259 0.264 20 0 DCADMM OC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C(F)(F)F ZINC001582814129 1166093269 /nfs/dbraw/zinc/09/32/69/1166093269.db2.gz VDKZBHKNCGMIOA-NKWVEPMBSA-N -1 1 315.259 0.264 20 0 DCADMM OC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1cc(F)ccc1F ZINC001582813080 1166094770 /nfs/dbraw/zinc/09/47/70/1166094770.db2.gz WAEPPRUBSWAQAL-JTQLQIEISA-N -1 1 319.275 0.502 20 0 DCADMM COC(=O)CSCCNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001585346514 1166418750 /nfs/dbraw/zinc/41/87/50/1166418750.db2.gz LSUHNKMRQXSIFG-UHFFFAOYSA-N -1 1 317.392 0.415 20 0 DCADMM COCCCCC(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001585357792 1166422153 /nfs/dbraw/zinc/42/21/53/1166422153.db2.gz WLNDUFVIROCVOX-UHFFFAOYSA-N -1 1 321.377 0.887 20 0 DCADMM Brc1c[nH]nc1CNc1ncncc1-c1nn[n-]n1 ZINC001588323219 1166519979 /nfs/dbraw/zinc/51/99/79/1166519979.db2.gz SPDDYOQSMBKRTM-UHFFFAOYSA-N -1 1 322.130 0.754 20 0 DCADMM CC(=Cc1ccco1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588771966 1166586612 /nfs/dbraw/zinc/58/66/12/1166586612.db2.gz GKNZALBNRSAUDD-VQHVLOKHSA-N -1 1 314.309 0.271 20 0 DCADMM C/C(=C\C(=O)NCCNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588760945 1166588092 /nfs/dbraw/zinc/58/80/92/1166588092.db2.gz CRXQVOSYOVDPPA-RMKNXTFCSA-N -1 1 314.353 0.541 20 0 DCADMM C/C(=C\C(=O)NCCNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588760945 1166588098 /nfs/dbraw/zinc/58/80/98/1166588098.db2.gz CRXQVOSYOVDPPA-RMKNXTFCSA-N -1 1 314.353 0.541 20 0 DCADMM CC(=O)N1C[C@@H](C)[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001588807033 1166592259 /nfs/dbraw/zinc/59/22/59/1166592259.db2.gz VXJLCNLUHIAQOX-MUWHJKNJSA-N -1 1 307.383 0.910 20 0 DCADMM CC(=O)N1CCC(NC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588812785 1166595997 /nfs/dbraw/zinc/59/59/97/1166595997.db2.gz QDQIPPCXXLSRMD-UHFFFAOYSA-N -1 1 315.337 0.002 20 0 DCADMM CC(=O)N1CCC(NC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588812785 1166596001 /nfs/dbraw/zinc/59/60/01/1166596001.db2.gz QDQIPPCXXLSRMD-UHFFFAOYSA-N -1 1 315.337 0.002 20 0 DCADMM CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001588818326 1166597396 /nfs/dbraw/zinc/59/73/96/1166597396.db2.gz DRAWVRUSWCIQDM-BXKDBHETSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588818326 1166597407 /nfs/dbraw/zinc/59/74/07/1166597407.db2.gz DRAWVRUSWCIQDM-BXKDBHETSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N1CCC[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588816167 1166598783 /nfs/dbraw/zinc/59/87/83/1166598783.db2.gz VKALWFAJHVJRIK-MWLCHTKSSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588816167 1166598787 /nfs/dbraw/zinc/59/87/87/1166598787.db2.gz VKALWFAJHVJRIK-MWLCHTKSSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588831466 1166603516 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CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588872541 1166613027 /nfs/dbraw/zinc/61/30/27/1166613027.db2.gz YCYCMCATTKXJCA-MGCOHNPYSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588872541 1166613033 /nfs/dbraw/zinc/61/30/33/1166613033.db2.gz YCYCMCATTKXJCA-MGCOHNPYSA-N -1 1 302.342 0.516 20 0 DCADMM C[C@H](C(=O)N(C)C(C1CC1)C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588936259 1166618707 /nfs/dbraw/zinc/61/87/07/1166618707.db2.gz FRWGDWPCGUZHEB-MRVPVSSYSA-N -1 1 316.369 0.666 20 0 DCADMM C[C@@H](C(=O)N1C[C@H]2CCCC[C@H]21)n1cnc(-c2nn[n-]n2)n1 ZINC001588962705 1166621394 /nfs/dbraw/zinc/62/13/94/1166621394.db2.gz GXYRZWLGCLZMAH-IVZWLZJFSA-N -1 1 302.342 0.420 20 0 DCADMM C[C@H](C(=O)N1CCC[C@H](CCF)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588952202 1166621610 /nfs/dbraw/zinc/62/16/10/1166621610.db2.gz OXPANDGDAMTEKW-NXEZZACHSA-N -1 1 322.348 0.617 20 0 DCADMM C[C@H](C(=O)N[C@H]1CCCC1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588974009 1166624881 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CC(C)(C)OC(=O)C1CN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589148423 1166637114 /nfs/dbraw/zinc/63/71/14/1166637114.db2.gz IJYWHRQKGPHZCZ-UHFFFAOYSA-N -1 1 303.326 0.435 20 0 DCADMM CC(C)(C)OC(=O)C1CN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589148423 1166637120 /nfs/dbraw/zinc/63/71/20/1166637120.db2.gz IJYWHRQKGPHZCZ-UHFFFAOYSA-N -1 1 303.326 0.435 20 0 DCADMM CC(C)(C)OC(=O)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589149355 1166637465 /nfs/dbraw/zinc/63/74/65/1166637465.db2.gz OYWPEBCVQYDYLR-SECBINFHSA-N -1 1 317.353 0.825 20 0 DCADMM CC(C)(C)OC(=O)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589149355 1166637470 /nfs/dbraw/zinc/63/74/70/1166637470.db2.gz OYWPEBCVQYDYLR-SECBINFHSA-N -1 1 317.353 0.825 20 0 DCADMM CC(C)(C)n1ncnc1CNc1ncncc1-c1nn[n-]n1 ZINC001589265255 1166642909 /nfs/dbraw/zinc/64/29/09/1166642909.db2.gz JNDITPQDQNNJRA-UHFFFAOYSA-N -1 1 300.330 0.615 20 0 DCADMM CC(C)(CO)ONC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589299957 1166644900 /nfs/dbraw/zinc/64/49/00/1166644900.db2.gz 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CC(C)CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001589527572 1166664879 /nfs/dbraw/zinc/66/48/79/1166664879.db2.gz QCYIYXRDQNMBJX-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM C[C@H](CC(F)(F)F)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001589798513 1166689974 /nfs/dbraw/zinc/68/99/74/1166689974.db2.gz GJFQBFPGZKBNQL-SCSAIBSYSA-N -1 1 319.247 0.419 20 0 DCADMM C[C@H](CCC1CC1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001589806275 1166690246 /nfs/dbraw/zinc/69/02/46/1166690246.db2.gz ZMVKVUDUVNYMDO-MRVPVSSYSA-N -1 1 319.369 0.255 20 0 DCADMM C[C@H](NC(=O)C1CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589918761 1166721638 /nfs/dbraw/zinc/72/16/38/1166721638.db2.gz UOCAECKJUQNJDI-YUMQZZPRSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@H](NC(=O)C1CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589918761 1166721646 /nfs/dbraw/zinc/72/16/46/1166721646.db2.gz UOCAECKJUQNJDI-YUMQZZPRSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC001589926242 1166721952 /nfs/dbraw/zinc/72/19/52/1166721952.db2.gz JFOIISYIAHOFMC-ZCFIWIBFSA-N -1 1 300.244 0.871 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC001589926242 1166721955 /nfs/dbraw/zinc/72/19/55/1166721955.db2.gz JFOIISYIAHOFMC-ZCFIWIBFSA-N -1 1 300.244 0.871 20 0 DCADMM C[C@@](O)(CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589988012 1166739254 /nfs/dbraw/zinc/73/92/54/1166739254.db2.gz FOGQCCOJWIBCSY-CYBMUJFWSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@@](O)(CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589988012 1166739261 /nfs/dbraw/zinc/73/92/61/1166739261.db2.gz FOGQCCOJWIBCSY-CYBMUJFWSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@H](O)CN(C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001590001348 1166748074 /nfs/dbraw/zinc/74/80/74/1166748074.db2.gz XIYDHMARFKXRLZ-QMMMGPOBSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@H](O)CN(C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001590001348 1166748083 /nfs/dbraw/zinc/74/80/83/1166748083.db2.gz XIYDHMARFKXRLZ-QMMMGPOBSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@H](c1nc(C[C@H]2CCCO2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590054276 1166760411 /nfs/dbraw/zinc/76/04/11/1166760411.db2.gz QJHWZEHUQUMOLY-HTQZYQBOSA-N -1 1 317.313 0.172 20 0 DCADMM CC1(C)C[C@](C)(NCc2nc(-c3nnn[n-]3)cs2)C(=O)O1 ZINC001590080545 1166768798 /nfs/dbraw/zinc/76/87/98/1166768798.db2.gz QBZKNECITVXBNJ-LBPRGKRZSA-N -1 1 308.367 0.897 20 0 DCADMM CC1(C)C[C@](C)(NCc2nc(-c3nn[n-]n3)cs2)C(=O)O1 ZINC001590080545 1166768802 /nfs/dbraw/zinc/76/88/02/1166768802.db2.gz QBZKNECITVXBNJ-LBPRGKRZSA-N -1 1 308.367 0.897 20 0 DCADMM CC1(C)C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CCS1(=O)=O ZINC001590084007 1166770701 /nfs/dbraw/zinc/77/07/01/1166770701.db2.gz RSDOAEPNPKJFLV-MRVPVSSYSA-N -1 1 323.382 0.424 20 0 DCADMM CC1(C)C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CCS1(=O)=O ZINC001590084007 1166770707 /nfs/dbraw/zinc/77/07/07/1166770707.db2.gz RSDOAEPNPKJFLV-MRVPVSSYSA-N -1 1 323.382 0.424 20 0 DCADMM CC1(C)C[C@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C(=O)O1 ZINC001590083480 1166772050 /nfs/dbraw/zinc/77/20/50/1166772050.db2.gz UEGLGLKCOKNGRZ-VIFPVBQESA-N -1 1 319.296 0.830 20 0 DCADMM CC1(C)C[C@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C(=O)O1 ZINC001590083480 1166772057 /nfs/dbraw/zinc/77/20/57/1166772057.db2.gz UEGLGLKCOKNGRZ-VIFPVBQESA-N -1 1 319.296 0.830 20 0 DCADMM CC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)COC1 ZINC001590131966 1166783561 /nfs/dbraw/zinc/78/35/61/1166783561.db2.gz IIDNCZAYZCDOBW-UHFFFAOYSA-N -1 1 315.380 0.243 20 0 DCADMM CC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)COC1 ZINC001590131966 1166783568 /nfs/dbraw/zinc/78/35/68/1166783568.db2.gz IIDNCZAYZCDOBW-UHFFFAOYSA-N -1 1 315.380 0.243 20 0 DCADMM CC1=C[C@H](C)CN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001590156740 1166792450 /nfs/dbraw/zinc/79/24/50/1166792450.db2.gz IHABEPQWLVKSNY-WPRPVWTQSA-N -1 1 302.342 0.444 20 0 DCADMM CC1=C[C@H](C)CN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001590156739 1166792783 /nfs/dbraw/zinc/79/27/83/1166792783.db2.gz IHABEPQWLVKSNY-WCBMZHEXSA-N -1 1 302.342 0.444 20 0 DCADMM C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001590167309 1166798100 /nfs/dbraw/zinc/79/81/00/1166798100.db2.gz MEFZKFMZFYMSIP-MXWKQRLJSA-N -1 1 315.381 0.815 20 0 DCADMM C[C@H](C(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590186189 1166803932 /nfs/dbraw/zinc/80/39/32/1166803932.db2.gz ADCZQAPYEMLBHK-VPOLOUISSA-N -1 1 318.385 0.912 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001590214795 1166815459 /nfs/dbraw/zinc/81/54/59/1166815459.db2.gz CGDGRMKMGMWXLD-VHSXEESVSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001590214795 1166815467 /nfs/dbraw/zinc/81/54/67/1166815467.db2.gz CGDGRMKMGMWXLD-VHSXEESVSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590221512 1166818810 /nfs/dbraw/zinc/81/88/10/1166818810.db2.gz XWTSRPJKGJTZHN-CBAPKCEASA-N -1 1 300.322 0.929 20 0 DCADMM C[C@H]1CCOCCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590279416 1166839224 /nfs/dbraw/zinc/83/92/24/1166839224.db2.gz YZOQJANLZXHELU-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM C[C@H]1CCOCCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590279416 1166839228 /nfs/dbraw/zinc/83/92/28/1166839228.db2.gz YZOQJANLZXHELU-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM C[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)n2)C[C@H](C)[S@@]1=O ZINC001590309992 1166855636 /nfs/dbraw/zinc/85/56/36/1166855636.db2.gz RRFCCBWGKXSSFY-KVMNZBFOSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)C[C@H](C)[S@@]1=O ZINC001590309992 1166855639 /nfs/dbraw/zinc/85/56/39/1166855639.db2.gz RRFCCBWGKXSSFY-KVMNZBFOSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@H]1OCC[C@@]12CN(c1ccnc(-c3nn[n-]n3)n1)C[C@@H](C)O2 ZINC001590313514 1166856723 /nfs/dbraw/zinc/85/67/23/1166856723.db2.gz DZYUAUSVXKUBTK-GPCCPHFNSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@@H](C)[C@H](C)O1 ZINC001590311572 1166858451 /nfs/dbraw/zinc/85/84/51/1166858451.db2.gz XVQVOSUEBZLDIL-VWYCJHECSA-N -1 1 304.354 0.484 20 0 DCADMM C[C@H]1CO[C@H](CO)CN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590320825 1166863629 /nfs/dbraw/zinc/86/36/29/1166863629.db2.gz AEUZYFBGUORPHU-WDSKDSINSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1OCC[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001590340339 1166875459 /nfs/dbraw/zinc/87/54/59/1166875459.db2.gz YTZAIULMZSXSEN-POYBYMJQSA-N -1 1 303.326 0.831 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001590343165 1166876226 /nfs/dbraw/zinc/87/62/26/1166876226.db2.gz MRAUVCPHRWXXMQ-WMZJFQQLSA-N -1 1 316.369 0.883 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001590343165 1166876233 /nfs/dbraw/zinc/87/62/33/1166876233.db2.gz MRAUVCPHRWXXMQ-WMZJFQQLSA-N -1 1 316.369 0.883 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590343771 1166877815 /nfs/dbraw/zinc/87/78/15/1166877815.db2.gz QBTRCSPKIGKYRM-BJMVGYQFSA-N -1 1 316.369 0.518 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590343771 1166877820 /nfs/dbraw/zinc/87/78/20/1166877820.db2.gz QBTRCSPKIGKYRM-BJMVGYQFSA-N -1 1 316.369 0.518 20 0 DCADMM C/C=C(\C)C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590345042 1166879846 /nfs/dbraw/zinc/87/98/46/1166879846.db2.gz HHIPVNGGJJHLKO-MZTCIMCMSA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(\C)C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590345042 1166879850 /nfs/dbraw/zinc/87/98/50/1166879850.db2.gz HHIPVNGGJJHLKO-MZTCIMCMSA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590345284 1166880175 /nfs/dbraw/zinc/88/01/75/1166880175.db2.gz YVMSAYJQQMMIAS-UITAMQMPSA-N -1 1 316.369 0.802 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590345284 1166880180 /nfs/dbraw/zinc/88/01/80/1166880180.db2.gz YVMSAYJQQMMIAS-UITAMQMPSA-N -1 1 316.369 0.802 20 0 DCADMM CCC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590360778 1166883892 /nfs/dbraw/zinc/88/38/92/1166883892.db2.gz KXYDGZLPPBFQAM-VIFPVBQESA-N -1 1 302.342 0.327 20 0 DCADMM CCC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590360778 1166883900 /nfs/dbraw/zinc/88/39/00/1166883900.db2.gz KXYDGZLPPBFQAM-VIFPVBQESA-N -1 1 302.342 0.327 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001590361210 1166884510 /nfs/dbraw/zinc/88/45/10/1166884510.db2.gz ZNONCCKCJCWQEZ-VIFPVBQESA-N -1 1 302.342 0.388 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001590361210 1166884512 /nfs/dbraw/zinc/88/45/12/1166884512.db2.gz ZNONCCKCJCWQEZ-VIFPVBQESA-N -1 1 302.342 0.388 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001590365727 1166888771 /nfs/dbraw/zinc/88/87/71/1166888771.db2.gz KBIBAYOGRATDNG-BDAKNGLRSA-N -1 1 302.342 0.150 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001590365727 1166888778 /nfs/dbraw/zinc/88/87/78/1166888778.db2.gz KBIBAYOGRATDNG-BDAKNGLRSA-N -1 1 302.342 0.150 20 0 DCADMM CC/C(C)=C/C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590388689 1166893823 /nfs/dbraw/zinc/89/38/23/1166893823.db2.gz LKTAJAKVFQCFPI-CYNRKNSPSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C(C)=C/C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590388689 1166893832 /nfs/dbraw/zinc/89/38/32/1166893832.db2.gz LKTAJAKVFQCFPI-CYNRKNSPSA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@H](C)C(=O)COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590391068 1166898302 /nfs/dbraw/zinc/89/83/02/1166898302.db2.gz PETOHRUOMVFIFN-YUMQZZPRSA-N -1 1 307.314 0.178 20 0 DCADMM CC[C@@H](F)C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590453468 1166909939 /nfs/dbraw/zinc/90/99/39/1166909939.db2.gz MEEGTZFMTGUCKK-CDAZIORVSA-N -1 1 320.332 0.489 20 0 DCADMM CC[C@@H](F)C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590453468 1166909944 /nfs/dbraw/zinc/90/99/44/1166909944.db2.gz MEEGTZFMTGUCKK-CDAZIORVSA-N -1 1 320.332 0.489 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590452311 1166910483 /nfs/dbraw/zinc/91/04/83/1166910483.db2.gz XEGPEFQDSABSTE-SSDOTTSWSA-N -1 1 310.337 0.311 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590452311 1166910486 /nfs/dbraw/zinc/91/04/86/1166910486.db2.gz XEGPEFQDSABSTE-SSDOTTSWSA-N -1 1 310.337 0.311 20 0 DCADMM CC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCO1 ZINC001590454574 1166911157 /nfs/dbraw/zinc/91/11/57/1166911157.db2.gz MYRISFDMDCLMJZ-DGCLKSJQSA-N -1 1 316.365 0.878 20 0 DCADMM CC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCO1 ZINC001590454574 1166911160 /nfs/dbraw/zinc/91/11/60/1166911160.db2.gz MYRISFDMDCLMJZ-DGCLKSJQSA-N -1 1 316.365 0.878 20 0 DCADMM CC[C@@H](F)C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001590456278 1166913325 /nfs/dbraw/zinc/91/33/25/1166913325.db2.gz KZGBBQPPYDHPMX-MRVPVSSYSA-N -1 1 308.321 0.323 20 0 DCADMM CC[C@@H](F)C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001590456278 1166913332 /nfs/dbraw/zinc/91/33/32/1166913332.db2.gz KZGBBQPPYDHPMX-MRVPVSSYSA-N -1 1 308.321 0.323 20 0 DCADMM CC[C@H](O)CCCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590474922 1166920215 /nfs/dbraw/zinc/92/02/15/1166920215.db2.gz HRPHVDXPYCKFPY-NSHDSACASA-N -1 1 304.354 0.472 20 0 DCADMM CC[C@H](O)CCCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590474922 1166920219 /nfs/dbraw/zinc/92/02/19/1166920219.db2.gz HRPHVDXPYCKFPY-NSHDSACASA-N -1 1 304.354 0.472 20 0 DCADMM CCC1(CC)CN(c2cncc(-c3nnn[n-]3)n2)CC[S@]1=O ZINC001590492197 1166921533 /nfs/dbraw/zinc/92/15/33/1166921533.db2.gz CISXZBOCAVOMIS-JOCHJYFZSA-N -1 1 321.410 0.784 20 0 DCADMM CCC1(CC)CN(c2cncc(-c3nn[n-]n3)n2)CC[S@]1=O ZINC001590492197 1166921538 /nfs/dbraw/zinc/92/15/38/1166921538.db2.gz CISXZBOCAVOMIS-JOCHJYFZSA-N -1 1 321.410 0.784 20 0 DCADMM CCC1(C(=O)NCCNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001590488085 1166921848 /nfs/dbraw/zinc/92/18/48/1166921848.db2.gz NEBUMIKUFFLQRZ-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CCC1(C(=O)NCCNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001590488085 1166921855 /nfs/dbraw/zinc/92/18/55/1166921855.db2.gz NEBUMIKUFFLQRZ-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC[C@@H]1CCC[C@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590510310 1166928684 /nfs/dbraw/zinc/92/86/84/1166928684.db2.gz WUJUIYFCSCDAJE-ZJUUUORDSA-N -1 1 304.358 0.401 20 0 DCADMM CC[C@H]1CN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CCCO1 ZINC001590516963 1166931545 /nfs/dbraw/zinc/93/15/45/1166931545.db2.gz LJEPBWLXGBSZNR-ZJUUUORDSA-N -1 1 320.357 0.047 20 0 DCADMM CC[C@@H]1CO[C@H](C)CN1C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590522785 1166932875 /nfs/dbraw/zinc/93/28/75/1166932875.db2.gz HJVNBRYPNJFCCJ-KXUCPTDWSA-N -1 1 320.357 0.045 20 0 DCADMM CC[C@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCCO1 ZINC001590521985 1166934853 /nfs/dbraw/zinc/93/48/53/1166934853.db2.gz FSAOGRZQFUDNFP-NSHDSACASA-N -1 1 304.354 0.487 20 0 DCADMM CCC[C@H](O)[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590559453 1166944753 /nfs/dbraw/zinc/94/47/53/1166944753.db2.gz GRKYNLPDDSNXHX-WDSKDSINSA-N -1 1 318.790 0.910 20 0 DCADMM CCC[C@H](O)[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590559453 1166944761 /nfs/dbraw/zinc/94/47/61/1166944761.db2.gz GRKYNLPDDSNXHX-WDSKDSINSA-N -1 1 318.790 0.910 20 0 DCADMM CCC[C@H]1C(=O)NCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590568220 1166944777 /nfs/dbraw/zinc/94/47/77/1166944777.db2.gz ZIVNKDPZQJTGGO-JTQLQIEISA-N -1 1 302.342 0.070 20 0 DCADMM CCC[C@H]1C(=O)NCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590568220 1166944784 /nfs/dbraw/zinc/94/47/84/1166944784.db2.gz ZIVNKDPZQJTGGO-JTQLQIEISA-N -1 1 302.342 0.070 20 0 DCADMM CCCCn1nnnc1Cn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001590616607 1166953021 /nfs/dbraw/zinc/95/30/21/1166953021.db2.gz YULVZSBXQBGHRM-UHFFFAOYSA-N -1 1 315.341 0.172 20 0 DCADMM CCCNC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001590636414 1166957883 /nfs/dbraw/zinc/95/78/83/1166957883.db2.gz KRVWWTYTKWOJDO-UHFFFAOYSA-N -1 1 319.369 0.906 20 0 DCADMM CCC[C@@H]1NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001590654327 1166962776 /nfs/dbraw/zinc/96/27/76/1166962776.db2.gz WXUYFBSENPVSDO-LURJTMIESA-N -1 1 307.339 0.544 20 0 DCADMM CCC[C@@H]1NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001590654327 1166962781 /nfs/dbraw/zinc/96/27/81/1166962781.db2.gz WXUYFBSENPVSDO-LURJTMIESA-N -1 1 307.339 0.544 20 0 DCADMM CCN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@H]1CCNC1=O ZINC001590676107 1166966044 /nfs/dbraw/zinc/96/60/44/1166966044.db2.gz HPOBFDWXXFZORD-QMMMGPOBSA-N -1 1 306.351 0.279 20 0 DCADMM CCN(C)C(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001590677419 1166968452 /nfs/dbraw/zinc/96/84/52/1166968452.db2.gz GHZRTMXYRMHKAT-UHFFFAOYSA-N -1 1 319.369 0.858 20 0 DCADMM CCN(C[C@H]1CCCO1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590691420 1166976792 /nfs/dbraw/zinc/97/67/92/1166976792.db2.gz LTPFCKMUHXOHGO-LLVKDONJSA-N -1 1 302.338 0.903 20 0 DCADMM CCN(C[C@H]1CCCO1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590691420 1166976796 /nfs/dbraw/zinc/97/67/96/1166976796.db2.gz LTPFCKMUHXOHGO-LLVKDONJSA-N -1 1 302.338 0.903 20 0 DCADMM CCN(C[C@H]1CCCO1)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590691532 1166978739 /nfs/dbraw/zinc/97/87/39/1166978739.db2.gz RTZVDFMFNSEQFD-VHSXEESVSA-N -1 1 320.357 0.047 20 0 DCADMM CCN(OC)C(=O)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590723515 1166983982 /nfs/dbraw/zinc/98/39/82/1166983982.db2.gz MPYRJSNJJJRYEE-UHFFFAOYSA-N -1 1 310.339 0.068 20 0 DCADMM CCN1CC[C@H](OC(=O)c2sccc2-c2nn[n-]n2)C1=O ZINC001590731700 1166988642 /nfs/dbraw/zinc/98/86/42/1166988642.db2.gz BTSGSBUUQNMCGG-QMMMGPOBSA-N -1 1 307.335 0.706 20 0 DCADMM CCNC(=O)N1CCN(Cc2csc(-c3nn[n-]n3)c2)CC1 ZINC001590744056 1166999468 /nfs/dbraw/zinc/99/94/68/1166999468.db2.gz PQNNPQCGIRAHAR-UHFFFAOYSA-N -1 1 321.410 0.775 20 0 DCADMM CCOC(=O)[C@H](C)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590753256 1167005361 /nfs/dbraw/zinc/00/53/61/1167005361.db2.gz ZZQMSRBQSWSMKS-SECBINFHSA-N -1 1 319.321 0.547 20 0 DCADMM CCOC(=O)[C@H](C)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590753256 1167005366 /nfs/dbraw/zinc/00/53/66/1167005366.db2.gz ZZQMSRBQSWSMKS-SECBINFHSA-N -1 1 319.321 0.547 20 0 DCADMM CCOC(=O)CCN(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590762677 1167011031 /nfs/dbraw/zinc/01/10/31/1167011031.db2.gz RBWBXHRDUHNCQW-UHFFFAOYSA-N -1 1 309.351 0.953 20 0 DCADMM CCOC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590768179 1167014479 /nfs/dbraw/zinc/01/44/79/1167014479.db2.gz ZFCBCEAZBQBYCT-QMMMGPOBSA-N -1 1 304.314 0.299 20 0 DCADMM CCOC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590768179 1167014485 /nfs/dbraw/zinc/01/44/85/1167014485.db2.gz ZFCBCEAZBQBYCT-QMMMGPOBSA-N -1 1 304.314 0.299 20 0 DCADMM CCOC(=O)c1csc(Cn2cc(-c3nn[n-]n3)nn2)n1 ZINC001590777846 1167019888 /nfs/dbraw/zinc/01/98/88/1167019888.db2.gz OMEDXRPEBOFFMF-UHFFFAOYSA-N -1 1 306.311 0.140 20 0 DCADMM CCO[C@H]1COCC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590797084 1167024691 /nfs/dbraw/zinc/02/46/91/1167024691.db2.gz UOOOKHNYNUMLIC-ZJUUUORDSA-N -1 1 323.378 0.852 20 0 DCADMM CCO[C@H]1C[C@H](OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001590822786 1167032657 /nfs/dbraw/zinc/03/26/57/1167032657.db2.gz ZGYXPQJIBJGWHY-IWSPIJDZSA-N -1 1 307.314 0.130 20 0 DCADMM CCS(=O)(=O)CCN(C)Cc1cccc(-c2nnn[n-]2)n1 ZINC001590847015 1167036971 /nfs/dbraw/zinc/03/69/71/1167036971.db2.gz XNHMETVXWVYWFM-UHFFFAOYSA-N -1 1 310.383 0.128 20 0 DCADMM CCS(=O)(=O)CCN(C)Cc1cccc(-c2nn[n-]n2)n1 ZINC001590847015 1167036974 /nfs/dbraw/zinc/03/69/74/1167036974.db2.gz XNHMETVXWVYWFM-UHFFFAOYSA-N -1 1 310.383 0.128 20 0 DCADMM CCc1coc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001590901871 1167044459 /nfs/dbraw/zinc/04/44/59/1167044459.db2.gz MDSXRMRLEPNRNL-LURJTMIESA-N -1 1 303.286 0.208 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](CO)OC(C)(C)C2)n1 ZINC001590905407 1167045681 /nfs/dbraw/zinc/04/56/81/1167045681.db2.gz WMSDJOSFCOZTRZ-SECBINFHSA-N -1 1 319.369 0.195 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](CO)OC(C)(C)C2)n1 ZINC001590905407 1167045683 /nfs/dbraw/zinc/04/56/83/1167045683.db2.gz WMSDJOSFCOZTRZ-SECBINFHSA-N -1 1 319.369 0.195 20 0 DCADMM CCc1nc(NC2CCC(C(N)=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001590917429 1167052623 /nfs/dbraw/zinc/05/26/23/1167052623.db2.gz PEXWVFNYZGJJHQ-UHFFFAOYSA-N -1 1 316.369 0.675 20 0 DCADMM CCc1nc(NC2CCC(C(N)=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001590917429 1167052629 /nfs/dbraw/zinc/05/26/29/1167052629.db2.gz PEXWVFNYZGJJHQ-UHFFFAOYSA-N -1 1 316.369 0.675 20 0 DCADMM CCc1nn(C)cc1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590929277 1167054241 /nfs/dbraw/zinc/05/42/41/1167054241.db2.gz FHTXNROGGBKOST-UHFFFAOYSA-N -1 1 319.350 0.976 20 0 DCADMM CCc1nn(C)cc1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590929277 1167054247 /nfs/dbraw/zinc/05/42/47/1167054247.db2.gz FHTXNROGGBKOST-UHFFFAOYSA-N -1 1 319.350 0.976 20 0 DCADMM CCn1ncc(Cl)c1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590969129 1167060935 /nfs/dbraw/zinc/06/09/35/1167060935.db2.gz WBUBXMHMMREPAP-UHFFFAOYSA-N -1 1 321.732 0.722 20 0 DCADMM CCn1ncc(Cl)c1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590969129 1167060938 /nfs/dbraw/zinc/06/09/38/1167060938.db2.gz WBUBXMHMMREPAP-UHFFFAOYSA-N -1 1 321.732 0.722 20 0 DCADMM CCn1nccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590970707 1167062299 /nfs/dbraw/zinc/06/22/99/1167062299.db2.gz CRURZTFLCNIFJX-UHFFFAOYSA-N -1 1 323.338 0.155 20 0 DCADMM CN(C(=O)CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001590983885 1167066750 /nfs/dbraw/zinc/06/67/50/1167066750.db2.gz PXMPWOSVAVZJSQ-UHFFFAOYSA-N -1 1 316.369 0.282 20 0 DCADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)nn1 ZINC001590995080 1167067824 /nfs/dbraw/zinc/06/78/24/1167067824.db2.gz PMUPRZAZKZNJBP-UHFFFAOYSA-N -1 1 316.712 0.982 20 0 DCADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)nn1 ZINC001590995080 1167067834 /nfs/dbraw/zinc/06/78/34/1167067834.db2.gz PMUPRZAZKZNJBP-UHFFFAOYSA-N -1 1 316.712 0.982 20 0 DCADMM CN(C(=O)c1cc2ncccn2n1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590992357 1167069235 /nfs/dbraw/zinc/06/92/35/1167069235.db2.gz WEBSWSCGFNOYBB-UHFFFAOYSA-N -1 1 321.304 0.581 20 0 DCADMM CN(C)C(=O)OCn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001591005117 1167072752 /nfs/dbraw/zinc/07/27/52/1167072752.db2.gz YUAQLNOZNQNARW-UHFFFAOYSA-N -1 1 320.334 0.899 20 0 DCADMM CN(C)C(=O)NCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC001591003395 1167074420 /nfs/dbraw/zinc/07/44/20/1167074420.db2.gz IPVURTWAZDOEFD-UHFFFAOYSA-N -1 1 310.339 0.356 20 0 DCADMM CN(C)c1cccnc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591035197 1167088906 /nfs/dbraw/zinc/08/89/06/1167088906.db2.gz ZCLSNXQWWBBHOR-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(C)c1cccnc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591035197 1167088911 /nfs/dbraw/zinc/08/89/11/1167088911.db2.gz ZCLSNXQWWBBHOR-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)C1(C)CC1 ZINC001591108008 1167105803 /nfs/dbraw/zinc/10/58/03/1167105803.db2.gz WEJZFPYTTWQUKU-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)C1(C)CC1 ZINC001591108008 1167105809 /nfs/dbraw/zinc/10/58/09/1167105809.db2.gz WEJZFPYTTWQUKU-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CN1CC[C@@](C)(COC(=O)c2sccc2-c2nn[n-]n2)C1=O ZINC001591178584 1167128977 /nfs/dbraw/zinc/12/89/77/1167128977.db2.gz NJSJLECIDBZYFF-ZDUSSCGKSA-N -1 1 321.362 0.953 20 0 DCADMM CN1CC[C@@H](CNC(=O)c2ccsc2-c2nnn[n-]2)CC1=O ZINC001591176857 1167130988 /nfs/dbraw/zinc/13/09/88/1167130988.db2.gz LWVNEZDZEPKATH-MRVPVSSYSA-N -1 1 320.378 0.526 20 0 DCADMM CN1CC[C@@H](CNC(=O)c2ccsc2-c2nn[n-]n2)CC1=O ZINC001591176857 1167130994 /nfs/dbraw/zinc/13/09/94/1167130994.db2.gz LWVNEZDZEPKATH-MRVPVSSYSA-N -1 1 320.378 0.526 20 0 DCADMM CN1CC[C@H](OC(=O)c2cccc(F)c2-c2nnn[n-]2)C1=O ZINC001591180133 1167133382 /nfs/dbraw/zinc/13/33/82/1167133382.db2.gz IYTVFYJZFAPKQU-VIFPVBQESA-N -1 1 305.269 0.393 20 0 DCADMM CN1CC[C@H](OC(=O)c2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001591180133 1167133384 /nfs/dbraw/zinc/13/33/84/1167133384.db2.gz IYTVFYJZFAPKQU-VIFPVBQESA-N -1 1 305.269 0.393 20 0 DCADMM CNC(=O)C[C@@H](C)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591204686 1167152789 /nfs/dbraw/zinc/15/27/89/1167152789.db2.gz PYHOIQAHBLMCCH-ZCFIWIBFSA-N -1 1 324.291 0.399 20 0 DCADMM CNC(=O)C[C@@H](C)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591204686 1167152794 /nfs/dbraw/zinc/15/27/94/1167152794.db2.gz PYHOIQAHBLMCCH-ZCFIWIBFSA-N -1 1 324.291 0.399 20 0 DCADMM CNC(=O)NC1CCN(c2cc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001591210203 1167158136 /nfs/dbraw/zinc/15/81/36/1167158136.db2.gz XKNUJVPXYNZNHC-UHFFFAOYSA-N -1 1 316.369 0.468 20 0 DCADMM CNC(=O)NC1CCN(c2cc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001591210203 1167158138 /nfs/dbraw/zinc/15/81/38/1167158138.db2.gz XKNUJVPXYNZNHC-UHFFFAOYSA-N -1 1 316.369 0.468 20 0 DCADMM COC(=O)[C@@H](CNc1nccnc1-c1nnn[n-]1)CC1CC1 ZINC001591233726 1167170148 /nfs/dbraw/zinc/17/01/48/1167170148.db2.gz YGPIFQOSQXGEOG-SECBINFHSA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)[C@@H](CNc1nccnc1-c1nn[n-]n1)CC1CC1 ZINC001591233726 1167170153 /nfs/dbraw/zinc/17/01/53/1167170153.db2.gz YGPIFQOSQXGEOG-SECBINFHSA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)[C@H](CC1CC1)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591233408 1167170783 /nfs/dbraw/zinc/17/07/83/1167170783.db2.gz XUDKVOHCNMCDDT-VIFPVBQESA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)C1(COC(=O)c2coc(-c3nnn[n-]3)c2)CCC1 ZINC001591242828 1167173074 /nfs/dbraw/zinc/17/30/74/1167173074.db2.gz YNZGXRNTPJSPAA-UHFFFAOYSA-N -1 1 306.278 0.960 20 0 DCADMM COC(=O)C1(COC(=O)c2coc(-c3nn[n-]n3)c2)CCC1 ZINC001591242828 1167173078 /nfs/dbraw/zinc/17/30/78/1167173078.db2.gz YNZGXRNTPJSPAA-UHFFFAOYSA-N -1 1 306.278 0.960 20 0 DCADMM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001591249437 1167176335 /nfs/dbraw/zinc/17/63/35/1167176335.db2.gz FRFKZMCSGPPZNV-KKZNHRDASA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)C1=CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001591248052 1167176843 /nfs/dbraw/zinc/17/68/43/1167176843.db2.gz ZBQQKWLIQQUGCB-SECBINFHSA-N -1 1 301.310 0.639 20 0 DCADMM COC(=O)C1=CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001591248052 1167176844 /nfs/dbraw/zinc/17/68/44/1167176844.db2.gz ZBQQKWLIQQUGCB-SECBINFHSA-N -1 1 301.310 0.639 20 0 DCADMM COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591253010 1167178907 /nfs/dbraw/zinc/17/89/07/1167178907.db2.gz CDSUHACQOCENHK-HTQZYQBOSA-N -1 1 305.294 0.531 20 0 DCADMM COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591253010 1167178913 /nfs/dbraw/zinc/17/89/13/1167178913.db2.gz CDSUHACQOCENHK-HTQZYQBOSA-N -1 1 305.294 0.531 20 0 DCADMM COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591257331 1167181070 /nfs/dbraw/zinc/18/10/70/1167181070.db2.gz YXVKVFLIUOYHFA-RKDXNWHRSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591257331 1167181071 /nfs/dbraw/zinc/18/10/71/1167181071.db2.gz YXVKVFLIUOYHFA-RKDXNWHRSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)CCC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001591262165 1167183517 /nfs/dbraw/zinc/18/35/17/1167183517.db2.gz FMLAZPAARHLKSH-UHFFFAOYSA-N -1 1 310.339 0.548 20 0 DCADMM COC(=O)CCC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001591262165 1167183521 /nfs/dbraw/zinc/18/35/21/1167183521.db2.gz FMLAZPAARHLKSH-UHFFFAOYSA-N -1 1 310.339 0.548 20 0 DCADMM COC(=O)C[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591269822 1167191769 /nfs/dbraw/zinc/19/17/69/1167191769.db2.gz AOMKVORSNDWABX-ZETCQYMHSA-N -1 1 305.298 0.335 20 0 DCADMM COC(=O)C[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591269822 1167191772 /nfs/dbraw/zinc/19/17/72/1167191772.db2.gz AOMKVORSNDWABX-ZETCQYMHSA-N -1 1 305.298 0.335 20 0 DCADMM COC(=O)[C@@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)C[C@H]1C ZINC001591278402 1167196790 /nfs/dbraw/zinc/19/67/90/1167196790.db2.gz NSUKCMYPLLHJRI-PSASIEDQSA-N -1 1 302.338 0.815 20 0 DCADMM COC(=O)[C@@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)C[C@H]1C ZINC001591278402 1167196795 /nfs/dbraw/zinc/19/67/95/1167196795.db2.gz NSUKCMYPLLHJRI-PSASIEDQSA-N -1 1 302.338 0.815 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001591278850 1167198482 /nfs/dbraw/zinc/19/84/82/1167198482.db2.gz SQQOKYKWZHICFN-NKWVEPMBSA-N -1 1 305.298 0.118 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001591278850 1167198484 /nfs/dbraw/zinc/19/84/84/1167198484.db2.gz SQQOKYKWZHICFN-NKWVEPMBSA-N -1 1 305.298 0.118 20 0 DCADMM COC(=O)[C@@H]1[C@H](CNc2cccc(-c3nnn[n-]3)n2)C1(F)F ZINC001591282267 1167198969 /nfs/dbraw/zinc/19/89/69/1167198969.db2.gz PGHGGGNKRPRFAO-RCOVLWMOSA-N -1 1 310.264 0.728 20 0 DCADMM COC(=O)[C@@H]1[C@H](CNc2cccc(-c3nn[n-]n3)n2)C1(F)F ZINC001591282267 1167198973 /nfs/dbraw/zinc/19/89/73/1167198973.db2.gz PGHGGGNKRPRFAO-RCOVLWMOSA-N -1 1 310.264 0.728 20 0 DCADMM COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591284013 1167200591 /nfs/dbraw/zinc/20/05/91/1167200591.db2.gz RSGKOQOBYDAPFY-NSHDSACASA-N -1 1 318.337 0.579 20 0 DCADMM COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591284013 1167200598 /nfs/dbraw/zinc/20/05/98/1167200598.db2.gz RSGKOQOBYDAPFY-NSHDSACASA-N -1 1 318.337 0.579 20 0 DCADMM COC(=O)c1ccc(NC2CC(CCO)C2)c(-c2nnn[n-]2)n1 ZINC001591296941 1167202337 /nfs/dbraw/zinc/20/23/37/1167202337.db2.gz YVZTXIRAPAJMPV-UHFFFAOYSA-N -1 1 318.337 0.621 20 0 DCADMM COC(=O)c1ccc(NC2CC(CCO)C2)c(-c2nn[n-]n2)n1 ZINC001591296941 1167202342 /nfs/dbraw/zinc/20/23/42/1167202342.db2.gz YVZTXIRAPAJMPV-UHFFFAOYSA-N -1 1 318.337 0.621 20 0 DCADMM CO[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCOC1 ZINC001591313930 1167208945 /nfs/dbraw/zinc/20/89/45/1167208945.db2.gz GRMGRRHNAZJUPN-JQWIXIFHSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCOC1 ZINC001591313930 1167208948 /nfs/dbraw/zinc/20/89/48/1167208948.db2.gz GRMGRRHNAZJUPN-JQWIXIFHSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001591329901 1167218355 /nfs/dbraw/zinc/21/83/55/1167218355.db2.gz NYMXHYFCRXMMMW-SNVBAGLBSA-N -1 1 303.326 0.808 20 0 DCADMM CO[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001591329901 1167218362 /nfs/dbraw/zinc/21/83/62/1167218362.db2.gz NYMXHYFCRXMMMW-SNVBAGLBSA-N -1 1 303.326 0.808 20 0 DCADMM COC(OC)[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591332894 1167220466 /nfs/dbraw/zinc/22/04/66/1167220466.db2.gz ABFJSKXCSFLQBL-ZETCQYMHSA-N -1 1 305.342 0.953 20 0 DCADMM COC(OC)[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591332894 1167220472 /nfs/dbraw/zinc/22/04/72/1167220472.db2.gz ABFJSKXCSFLQBL-ZETCQYMHSA-N -1 1 305.342 0.953 20 0 DCADMM COC1([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CCOCC1 ZINC001591337213 1167220895 /nfs/dbraw/zinc/22/08/95/1167220895.db2.gz AIQLHLLOUHVMGG-SNVBAGLBSA-N -1 1 319.369 0.961 20 0 DCADMM COC1([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CCOCC1 ZINC001591337213 1167220899 /nfs/dbraw/zinc/22/08/99/1167220899.db2.gz AIQLHLLOUHVMGG-SNVBAGLBSA-N -1 1 319.369 0.961 20 0 DCADMM CO[C@H](COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)CC(C)C ZINC001591336131 1167220906 /nfs/dbraw/zinc/22/09/06/1167220906.db2.gz UJJUQPFCEINELC-UWVGGRQHSA-N -1 1 323.357 0.624 20 0 DCADMM CO[C@@H]1CCC[C@@H](OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591354282 1167229720 /nfs/dbraw/zinc/22/97/20/1167229720.db2.gz JCHZGHHVBIMGJY-IVZWLZJFSA-N -1 1 321.341 0.520 20 0 DCADMM COCC(=O)NC[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001591367448 1167239894 /nfs/dbraw/zinc/23/98/94/1167239894.db2.gz MCUORSHQCRBPNF-ZCFIWIBFSA-N -1 1 311.371 0.195 20 0 DCADMM COC[C@@H](CCNC(=O)c1cccc(-c2nnn[n-]2)n1)OC ZINC001591376165 1167248017 /nfs/dbraw/zinc/24/80/17/1167248017.db2.gz MPXFNUXUVBJFHT-SECBINFHSA-N -1 1 306.326 0.043 20 0 DCADMM COC[C@@H](CCNC(=O)c1cccc(-c2nn[n-]n2)n1)OC ZINC001591376165 1167248021 /nfs/dbraw/zinc/24/80/21/1167248021.db2.gz MPXFNUXUVBJFHT-SECBINFHSA-N -1 1 306.326 0.043 20 0 DCADMM COCCOC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001591436681 1167285907 /nfs/dbraw/zinc/28/59/07/1167285907.db2.gz PDXPVOHWPQQTGU-SNVBAGLBSA-N -1 1 321.337 0.585 20 0 DCADMM COCCOC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591436681 1167285911 /nfs/dbraw/zinc/28/59/11/1167285911.db2.gz PDXPVOHWPQQTGU-SNVBAGLBSA-N -1 1 321.337 0.585 20 0 DCADMM COCCn1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001591451478 1167292460 /nfs/dbraw/zinc/29/24/60/1167292460.db2.gz QGIPCVFVYCBENX-UHFFFAOYSA-N -1 1 314.309 0.357 20 0 DCADMM COCCn1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001591451478 1167292464 /nfs/dbraw/zinc/29/24/64/1167292464.db2.gz QGIPCVFVYCBENX-UHFFFAOYSA-N -1 1 314.309 0.357 20 0 DCADMM COCc1nc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)cs1 ZINC001591459909 1167294989 /nfs/dbraw/zinc/29/49/89/1167294989.db2.gz NYCYULZSPDHYIT-UHFFFAOYSA-N -1 1 318.362 0.988 20 0 DCADMM CON(CC(C)(C)C)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591464346 1167296936 /nfs/dbraw/zinc/29/69/36/1167296936.db2.gz HMXFTLIWSWMDQZ-QMMMGPOBSA-N -1 1 308.346 0.455 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCO[C@H]1CCCCO1 ZINC001591474883 1167306631 /nfs/dbraw/zinc/30/66/31/1167306631.db2.gz OBDBIVHWTIXJPD-LBPRGKRZSA-N -1 1 321.337 0.580 20 0 DCADMM COc1cc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)ccc1O ZINC001591523692 1167322551 /nfs/dbraw/zinc/32/25/51/1167322551.db2.gz NCXDXIIIDFUKDP-UHFFFAOYSA-N -1 1 315.293 0.243 20 0 DCADMM COc1ccc(COc2ccc(F)nc2-c2nn[n-]n2)nn1 ZINC001591602450 1167336118 /nfs/dbraw/zinc/33/61/18/1167336118.db2.gz CHCZQOYNZYHELJ-UHFFFAOYSA-N -1 1 303.257 0.778 20 0 DCADMM COc1ccc(OCCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001591620728 1167341673 /nfs/dbraw/zinc/34/16/73/1167341673.db2.gz PASCBASPNBZHPR-UHFFFAOYSA-N -1 1 313.321 0.578 20 0 DCADMM COc1cnc(N(C)C(=O)c2cc(-c3nnn[n-]3)oc2C)nc1 ZINC001591658315 1167342840 /nfs/dbraw/zinc/34/28/40/1167342840.db2.gz XDFFQDDQCKJAKU-UHFFFAOYSA-N -1 1 315.293 0.843 20 0 DCADMM COc1cnc(N(C)C(=O)c2cc(-c3nn[n-]n3)oc2C)nc1 ZINC001591658315 1167342845 /nfs/dbraw/zinc/34/28/45/1167342845.db2.gz XDFFQDDQCKJAKU-UHFFFAOYSA-N -1 1 315.293 0.843 20 0 DCADMM CSC[C@@](C)(O)CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591693963 1167357248 /nfs/dbraw/zinc/35/72/48/1167357248.db2.gz BTFVVPHSADQUHN-NSHDSACASA-N -1 1 313.408 0.772 20 0 DCADMM CSC[C@@](C)(O)CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591693963 1167357254 /nfs/dbraw/zinc/35/72/54/1167357254.db2.gz BTFVVPHSADQUHN-NSHDSACASA-N -1 1 313.408 0.772 20 0 DCADMM CS[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001591702374 1167357658 /nfs/dbraw/zinc/35/76/58/1167357658.db2.gz AZTBRGVPWIXPMI-LJGSYFOKSA-N -1 1 308.371 0.616 20 0 DCADMM CS[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001591702374 1167357665 /nfs/dbraw/zinc/35/76/65/1167357665.db2.gz AZTBRGVPWIXPMI-LJGSYFOKSA-N -1 1 308.371 0.616 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)nn1C ZINC001591798034 1167382537 /nfs/dbraw/zinc/38/25/37/1167382537.db2.gz DMGBEQITOKHVAI-IONNQARKSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)nn1C ZINC001591798034 1167382545 /nfs/dbraw/zinc/38/25/45/1167382545.db2.gz DMGBEQITOKHVAI-IONNQARKSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C(=O)N(C)C)C2)c1 ZINC001591885553 1167411450 /nfs/dbraw/zinc/41/14/50/1167411450.db2.gz SDVQATFPTDDOBQ-JTQLQIEISA-N -1 1 301.354 0.485 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C(=O)N(C)C)C2)c1 ZINC001591885553 1167411473 /nfs/dbraw/zinc/41/14/73/1167411473.db2.gz SDVQATFPTDDOBQ-JTQLQIEISA-N -1 1 301.354 0.485 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN([S@](C)(=N)=O)CC2)c1 ZINC001591887335 1167411750 /nfs/dbraw/zinc/41/17/50/1167411750.db2.gz DSTIVYWVVKKWDC-QFIPXVFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN([S@](C)(=N)=O)CC2)c1 ZINC001591887335 1167411751 /nfs/dbraw/zinc/41/17/51/1167411751.db2.gz DSTIVYWVVKKWDC-QFIPXVFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CN2CCCC2=O)n1 ZINC001591891971 1167412997 /nfs/dbraw/zinc/41/29/97/1167412997.db2.gz HRUCBARMVVWWPS-VIFPVBQESA-N -1 1 302.342 0.388 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CN2CCCC2=O)n1 ZINC001591891971 1167413003 /nfs/dbraw/zinc/41/30/03/1167413003.db2.gz HRUCBARMVVWWPS-VIFPVBQESA-N -1 1 302.342 0.388 20 0 DCADMM Cc1cc(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n(C)n1 ZINC001591971273 1167427539 /nfs/dbraw/zinc/42/75/39/1167427539.db2.gz CJLZUINSKQEQNO-UHFFFAOYSA-N -1 1 313.321 0.590 20 0 DCADMM Cc1cc(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n(C)n1 ZINC001591971273 1167427544 /nfs/dbraw/zinc/42/75/44/1167427544.db2.gz CJLZUINSKQEQNO-UHFFFAOYSA-N -1 1 313.321 0.590 20 0 DCADMM Cc1cc(Cl)cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1N ZINC001591976077 1167427989 /nfs/dbraw/zinc/42/79/89/1167427989.db2.gz AMYHEWFSBYKYRM-UHFFFAOYSA-N -1 1 318.728 0.878 20 0 DCADMM Cc1cc(N2CCN3C(=O)OCC[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592006854 1167433044 /nfs/dbraw/zinc/43/30/44/1167433044.db2.gz AJCDKNAQSSENPW-SNVBAGLBSA-N -1 1 315.337 0.601 20 0 DCADMM Cc1cc(N2CCN3C(=O)OCC[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592006854 1167433049 /nfs/dbraw/zinc/43/30/49/1167433049.db2.gz AJCDKNAQSSENPW-SNVBAGLBSA-N -1 1 315.337 0.601 20 0 DCADMM Cc1cc(N[C@@H]2CCN(C(C)(C)C)C2=O)cc(-c2nnn[n-]2)n1 ZINC001592039106 1167441783 /nfs/dbraw/zinc/44/17/83/1167441783.db2.gz AIGVXPZLCCSHGQ-LLVKDONJSA-N -1 1 315.381 0.803 20 0 DCADMM Cc1cc(N[C@@H]2CCN(C(C)(C)C)C2=O)cc(-c2nn[n-]n2)n1 ZINC001592039106 1167441786 /nfs/dbraw/zinc/44/17/86/1167441786.db2.gz AIGVXPZLCCSHGQ-LLVKDONJSA-N -1 1 315.381 0.803 20 0 DCADMM Cc1cc(NC[C@]2(C(=O)[O-])CCCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592041335 1167444307 /nfs/dbraw/zinc/44/43/07/1167444307.db2.gz DUBZQKOORHUQQZ-CQSZACIVSA-N -1 1 318.337 0.285 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC2(CNC(=O)O2)CC1 ZINC001592111075 1167458352 /nfs/dbraw/zinc/45/83/52/1167458352.db2.gz ZVNIPFLPNBJKDO-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1NCC1(S(C)(=O)=O)CCC1 ZINC001592114354 1167458439 /nfs/dbraw/zinc/45/84/39/1167458439.db2.gz PFNRLEJOONMKDD-UHFFFAOYSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCC1(S(C)(=O)=O)CCC1 ZINC001592114354 1167458441 /nfs/dbraw/zinc/45/84/41/1167458441.db2.gz PFNRLEJOONMKDD-UHFFFAOYSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CC[C@]2(CCOC2=O)C1 ZINC001592110935 1167459266 /nfs/dbraw/zinc/45/92/66/1167459266.db2.gz XRBGMULELJTATJ-AWEZNQCLSA-N -1 1 300.322 0.714 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@]2(CCOC2=O)C1 ZINC001592110935 1167459269 /nfs/dbraw/zinc/45/92/69/1167459269.db2.gz XRBGMULELJTATJ-AWEZNQCLSA-N -1 1 300.322 0.714 20 0 DCADMM Cc1ccc(N2CCN(CC(F)F)CC2)nc1-c1nnn[n-]1 ZINC001592175212 1167469009 /nfs/dbraw/zinc/46/90/09/1167469009.db2.gz IKFSKPVITOUZCH-UHFFFAOYSA-N -1 1 309.324 0.957 20 0 DCADMM Cc1ccc(N2CCN(CC(F)F)CC2)nc1-c1nn[n-]n1 ZINC001592175212 1167469011 /nfs/dbraw/zinc/46/90/11/1167469011.db2.gz IKFSKPVITOUZCH-UHFFFAOYSA-N -1 1 309.324 0.957 20 0 DCADMM Cc1ccc(N2CCN(c3cccnn3)CC2)nc1-c1nnn[n-]1 ZINC001592174790 1167469084 /nfs/dbraw/zinc/46/90/84/1167469084.db2.gz CMPQJRMCAGCAPA-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1ccc(N2CCN(c3cccnn3)CC2)nc1-c1nn[n-]n1 ZINC001592174790 1167469087 /nfs/dbraw/zinc/46/90/87/1167469087.db2.gz CMPQJRMCAGCAPA-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1ccc(N2CCc3nc[nH]c(=O)c3C2)nc1-c1nn[n-]n1 ZINC001592177364 1167470236 /nfs/dbraw/zinc/47/02/36/1167470236.db2.gz QLAGBQVEIRPPGV-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM Cc1ccc(N[C@@H]2CCN(C(C)C)C2=O)nc1-c1nnn[n-]1 ZINC001592183658 1167471373 /nfs/dbraw/zinc/47/13/73/1167471373.db2.gz HXRAIGFRFAGGGQ-SNVBAGLBSA-N -1 1 301.354 0.991 20 0 DCADMM Cc1ccc(N[C@@H]2CCN(C(C)C)C2=O)nc1-c1nn[n-]n1 ZINC001592183658 1167471377 /nfs/dbraw/zinc/47/13/77/1167471377.db2.gz HXRAIGFRFAGGGQ-SNVBAGLBSA-N -1 1 301.354 0.991 20 0 DCADMM Cc1ccc(NCCCc2nnnn2C)c(-c2nnn[n-]2)n1 ZINC001592186437 1167473854 /nfs/dbraw/zinc/47/38/54/1167473854.db2.gz VPLDMCAFHNJREM-UHFFFAOYSA-N -1 1 300.330 0.138 20 0 DCADMM Cc1ccc(NCCCc2nnnn2C)c(-c2nn[n-]n2)n1 ZINC001592186437 1167473857 /nfs/dbraw/zinc/47/38/57/1167473857.db2.gz VPLDMCAFHNJREM-UHFFFAOYSA-N -1 1 300.330 0.138 20 0 DCADMM Cc1ccn(CCNC(=O)OC(C)(C)C)c(=O)c1-c1nn[n-]n1 ZINC001592266809 1167480767 /nfs/dbraw/zinc/48/07/67/1167480767.db2.gz XUZYSKOZQYOZOY-UHFFFAOYSA-N -1 1 320.353 0.862 20 0 DCADMM Cc1cnc(CCOC(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001592294253 1167484077 /nfs/dbraw/zinc/48/40/77/1167484077.db2.gz CGHCDZGZDQPSHK-UHFFFAOYSA-N -1 1 300.278 0.958 20 0 DCADMM Cc1cnc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001592292924 1167485005 /nfs/dbraw/zinc/48/50/05/1167485005.db2.gz SUEAXDGAZBNRQE-UHFFFAOYSA-N -1 1 310.321 0.333 20 0 DCADMM Cc1cnc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001592292924 1167485010 /nfs/dbraw/zinc/48/50/10/1167485010.db2.gz SUEAXDGAZBNRQE-UHFFFAOYSA-N -1 1 310.321 0.333 20 0 DCADMM Cc1csc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001592315819 1167487011 /nfs/dbraw/zinc/48/70/11/1167487011.db2.gz CFVAKLVEOVVLST-LURJTMIESA-N -1 1 305.327 0.423 20 0 DCADMM Cc1n[nH]cc1CN(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001592331519 1167491069 /nfs/dbraw/zinc/49/10/69/1167491069.db2.gz GEYQTSRPIQYDBU-UHFFFAOYSA-N -1 1 316.325 0.396 20 0 DCADMM Cc1[nH]nc(NCc2nnn(C(C)(C)C)n2)c1-c1nnn[n-]1 ZINC001592331516 1167491379 /nfs/dbraw/zinc/49/13/79/1167491379.db2.gz GAMGWZCTSFOXTE-UHFFFAOYSA-N -1 1 303.334 0.252 20 0 DCADMM Cc1[nH]nc(NCc2nnn(C(C)(C)C)n2)c1-c1nn[n-]n1 ZINC001592331516 1167491385 /nfs/dbraw/zinc/49/13/85/1167491385.db2.gz GAMGWZCTSFOXTE-UHFFFAOYSA-N -1 1 303.334 0.252 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@]3(C2)CCCOC3)n1 ZINC001592338299 1167492540 /nfs/dbraw/zinc/49/25/40/1167492540.db2.gz YCEPLSXGLUNCFO-AWEZNQCLSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@]3(C2)CCCOC3)n1 ZINC001592338299 1167492543 /nfs/dbraw/zinc/49/25/43/1167492543.db2.gz YCEPLSXGLUNCFO-AWEZNQCLSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC3(CNC(=O)C3)CC2)n1 ZINC001592337107 1167494161 /nfs/dbraw/zinc/49/41/61/1167494161.db2.gz BILUIRCANWXHGF-UHFFFAOYSA-N -1 1 314.353 0.072 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC3(CNC(=O)C3)CC2)n1 ZINC001592337107 1167494164 /nfs/dbraw/zinc/49/41/64/1167494164.db2.gz BILUIRCANWXHGF-UHFFFAOYSA-N -1 1 314.353 0.072 20 0 DCADMM Cc1nc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)cs1 ZINC001592363123 1167505799 /nfs/dbraw/zinc/50/57/99/1167505799.db2.gz WPAHQZPCDCVHKX-UHFFFAOYSA-N -1 1 303.351 0.853 20 0 DCADMM Cc1nc(NCC(=O)NCC(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592384447 1167509952 /nfs/dbraw/zinc/50/99/52/1167509952.db2.gz RHYIEEBFXMIXAO-UHFFFAOYSA-N -1 1 316.247 0.056 20 0 DCADMM Cc1nc(NCC(=O)NCC(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592384447 1167509956 /nfs/dbraw/zinc/50/99/56/1167509956.db2.gz RHYIEEBFXMIXAO-UHFFFAOYSA-N -1 1 316.247 0.056 20 0 DCADMM Cc1nsc(N(C)C(=O)C[C@H]2CCNC2=O)c1-c1nnn[n-]1 ZINC001592469185 1167531805 /nfs/dbraw/zinc/53/18/05/1167531805.db2.gz XMZMRLOGRCZNIL-SSDOTTSWSA-N -1 1 321.366 0.121 20 0 DCADMM Cc1nsc(N(C)C(=O)C[C@H]2CCNC2=O)c1-c1nn[n-]n1 ZINC001592469185 1167531810 /nfs/dbraw/zinc/53/18/10/1167531810.db2.gz XMZMRLOGRCZNIL-SSDOTTSWSA-N -1 1 321.366 0.121 20 0 DCADMM Cc1nsc(NC(=O)NC[C@@H](O)C2CCC2)c1-c1nnn[n-]1 ZINC001592481305 1167534237 /nfs/dbraw/zinc/53/42/37/1167534237.db2.gz LDPLFXQCXSAUEP-MRVPVSSYSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)NC[C@@H](O)C2CCC2)c1-c1nn[n-]n1 ZINC001592481305 1167534243 /nfs/dbraw/zinc/53/42/43/1167534243.db2.gz LDPLFXQCXSAUEP-MRVPVSSYSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)N(C)CC[C@@H](C)O)c1-c1nnn[n-]1 ZINC001592479983 1167534451 /nfs/dbraw/zinc/53/44/51/1167534451.db2.gz SLHKZUMBFKOMDF-ZCFIWIBFSA-N -1 1 311.371 0.866 20 0 DCADMM Cc1nsc(NC(=O)N(C)CC[C@@H](C)O)c1-c1nn[n-]n1 ZINC001592479983 1167534453 /nfs/dbraw/zinc/53/44/53/1167534453.db2.gz SLHKZUMBFKOMDF-ZCFIWIBFSA-N -1 1 311.371 0.866 20 0 DCADMM Cc1nsc(NC(=O)NCc2cnnn2C)c1-c1nnn[n-]1 ZINC001592483655 1167536286 /nfs/dbraw/zinc/53/62/86/1167536286.db2.gz QIPXLSWTQOSJNH-UHFFFAOYSA-N -1 1 320.342 0.082 20 0 DCADMM Cc1nsc(NC(=O)NCc2cnnn2C)c1-c1nn[n-]n1 ZINC001592483655 1167536292 /nfs/dbraw/zinc/53/62/92/1167536292.db2.gz QIPXLSWTQOSJNH-UHFFFAOYSA-N -1 1 320.342 0.082 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](O)c1cccnc1 ZINC001592502026 1167540491 /nfs/dbraw/zinc/54/04/91/1167540491.db2.gz KFSQIFMBINNEBW-LLVKDONJSA-N -1 1 314.305 0.627 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](O)c1cccnc1 ZINC001592502026 1167540496 /nfs/dbraw/zinc/54/04/96/1167540496.db2.gz KFSQIFMBINNEBW-LLVKDONJSA-N -1 1 314.305 0.627 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H]1CCC(=O)N(C)C1 ZINC001592502433 1167541483 /nfs/dbraw/zinc/54/14/83/1167541483.db2.gz SJGBAINEHFYSMZ-QMMMGPOBSA-N -1 1 305.294 0.546 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H]1CCC(=O)N(C)C1 ZINC001592502433 1167541488 /nfs/dbraw/zinc/54/14/88/1167541488.db2.gz SJGBAINEHFYSMZ-QMMMGPOBSA-N -1 1 305.294 0.546 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H](O)c1cccnc1 ZINC001592502028 1167541544 /nfs/dbraw/zinc/54/15/44/1167541544.db2.gz KFSQIFMBINNEBW-NSHDSACASA-N -1 1 314.305 0.627 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H](O)c1cccnc1 ZINC001592502028 1167541551 /nfs/dbraw/zinc/54/15/51/1167541551.db2.gz KFSQIFMBINNEBW-NSHDSACASA-N -1 1 314.305 0.627 20 0 DCADMM Cc1onc(CC(=O)NC2(CCO)CCCC2)c1-c1nnn[n-]1 ZINC001592515507 1167544004 /nfs/dbraw/zinc/54/40/04/1167544004.db2.gz DHPSEROMJDZENX-UHFFFAOYSA-N -1 1 320.353 0.517 20 0 DCADMM Cc1onc(CC(=O)NC2(CCO)CCCC2)c1-c1nn[n-]n1 ZINC001592515507 1167544011 /nfs/dbraw/zinc/54/40/11/1167544011.db2.gz DHPSEROMJDZENX-UHFFFAOYSA-N -1 1 320.353 0.517 20 0 DCADMM Cc1onc(CC(=O)N[C@H](C)C(F)(F)F)c1-c1nnn[n-]1 ZINC001592515941 1167546751 /nfs/dbraw/zinc/54/67/51/1167546751.db2.gz SLUNOJDYSXJUKM-RXMQYKEDSA-N -1 1 304.232 0.773 20 0 DCADMM Cc1onc(CC(=O)N[C@H](C)C(F)(F)F)c1-c1nn[n-]n1 ZINC001592515941 1167546753 /nfs/dbraw/zinc/54/67/53/1167546753.db2.gz SLUNOJDYSXJUKM-RXMQYKEDSA-N -1 1 304.232 0.773 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccnn2C2CCC2)n1 ZINC001592560281 1167560850 /nfs/dbraw/zinc/56/08/50/1167560850.db2.gz XOGZSAMPUGUOKA-UHFFFAOYSA-N -1 1 313.325 0.774 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccnn2C2CCC2)n1 ZINC001592560281 1167560852 /nfs/dbraw/zinc/56/08/52/1167560852.db2.gz XOGZSAMPUGUOKA-UHFFFAOYSA-N -1 1 313.325 0.774 20 0 DCADMM Cn1ccc([C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001592578610 1167567584 /nfs/dbraw/zinc/56/75/84/1167567584.db2.gz AWFLMSDXOCDQEZ-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ccc([C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001592578610 1167567588 /nfs/dbraw/zinc/56/75/88/1167567588.db2.gz AWFLMSDXOCDQEZ-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nncc1NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592611108 1167585412 /nfs/dbraw/zinc/58/54/12/1167585412.db2.gz BQTUGOUNTYXBNX-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM FC(F)(F)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001592616210 1167586469 /nfs/dbraw/zinc/58/64/69/1167586469.db2.gz TXXADMTVBIEHCR-SSDOTTSWSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)(F)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001592616210 1167586476 /nfs/dbraw/zinc/58/64/76/1167586476.db2.gz TXXADMTVBIEHCR-SSDOTTSWSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)CN1CCC[C@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001592624733 1167587516 /nfs/dbraw/zinc/58/75/16/1167587516.db2.gz NNSUMRXHFBXYQY-JTQLQIEISA-N -1 1 309.324 0.825 20 0 DCADMM FC(F)CN1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001592624733 1167587521 /nfs/dbraw/zinc/58/75/21/1167587521.db2.gz NNSUMRXHFBXYQY-JTQLQIEISA-N -1 1 309.324 0.825 20 0 DCADMM Fc1ccc2c(c1)C[C@@H]1[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]21 ZINC001592653030 1167588445 /nfs/dbraw/zinc/58/84/45/1167588445.db2.gz GFEDWYOXJBMAMH-UHTWSYAYSA-N -1 1 309.308 0.968 20 0 DCADMM NC(=O)[C@H](C1CC1)N(CC1CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001592714877 1167609973 /nfs/dbraw/zinc/60/99/73/1167609973.db2.gz SZSJVPREFPCPMI-LBPRGKRZSA-N -1 1 314.353 0.137 20 0 DCADMM NC(=O)[C@H](C1CC1)N(CC1CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001592714877 1167609975 /nfs/dbraw/zinc/60/99/75/1167609975.db2.gz SZSJVPREFPCPMI-LBPRGKRZSA-N -1 1 314.353 0.137 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592721807 1167613079 /nfs/dbraw/zinc/61/30/79/1167613079.db2.gz VBOPBDWXNVZJOF-BDAKNGLRSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592721807 1167613091 /nfs/dbraw/zinc/61/30/91/1167613091.db2.gz VBOPBDWXNVZJOF-BDAKNGLRSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)CC1CC(Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001592724304 1167613157 /nfs/dbraw/zinc/61/31/57/1167613157.db2.gz GFOLVRPGZWHGCC-UHFFFAOYSA-N -1 1 324.348 0.876 20 0 DCADMM NC(=O)CC1CC(Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001592724304 1167613161 /nfs/dbraw/zinc/61/31/61/1167613161.db2.gz GFOLVRPGZWHGCC-UHFFFAOYSA-N -1 1 324.348 0.876 20 0 DCADMM NC(=O)C[C@H]1CN(Cc2csc(-c3nn[n-]n3)c2)CCO1 ZINC001592726316 1167615486 /nfs/dbraw/zinc/61/54/86/1167615486.db2.gz SGILEGLGIODBCW-VIFPVBQESA-N -1 1 308.367 0.004 20 0 DCADMM NC(=O)N1CCCN(C(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001592729472 1167617594 /nfs/dbraw/zinc/61/75/94/1167617594.db2.gz LUIGXXDJFBNMSI-UHFFFAOYSA-N -1 1 321.366 0.155 20 0 DCADMM NC(=O)N1CCCN(C(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001592729472 1167617599 /nfs/dbraw/zinc/61/75/99/1167617599.db2.gz LUIGXXDJFBNMSI-UHFFFAOYSA-N -1 1 321.366 0.155 20 0 DCADMM NC(=O)c1cccc(CSc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001592736734 1167622553 /nfs/dbraw/zinc/62/25/53/1167622553.db2.gz OXVWPVNAWWKDMB-UHFFFAOYSA-N -1 1 314.334 0.443 20 0 DCADMM NC(=O)c1cc2cc(Nc3nccnc3-c3nnn[n-]3)ccc2[nH]1 ZINC001592735510 1167623540 /nfs/dbraw/zinc/62/35/40/1167623540.db2.gz UFFAJQWUEBGSCT-UHFFFAOYSA-N -1 1 321.304 0.981 20 0 DCADMM NC(=O)c1cc2cc(Nc3nccnc3-c3nn[n-]n3)ccc2[nH]1 ZINC001592735510 1167623545 /nfs/dbraw/zinc/62/35/45/1167623545.db2.gz UFFAJQWUEBGSCT-UHFFFAOYSA-N -1 1 321.304 0.981 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@]12CCO[C@H]1CCCC2 ZINC001592753611 1167630711 /nfs/dbraw/zinc/63/07/11/1167630711.db2.gz DCXJJRWJVHGRNK-TVQRCGJNSA-N -1 1 303.326 0.635 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1nc2cccnc2s1 ZINC001592753173 1167630972 /nfs/dbraw/zinc/63/09/72/1167630972.db2.gz QDSVAKFBTOWIPY-UHFFFAOYSA-N -1 1 313.306 0.339 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCCCc1cn[nH]c1 ZINC001592914989 1167665469 /nfs/dbraw/zinc/66/54/69/1167665469.db2.gz OPZZOZUSFBXHDJ-UHFFFAOYSA-N -1 1 313.321 0.703 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCCCc1cn[nH]c1 ZINC001592914989 1167665473 /nfs/dbraw/zinc/66/54/73/1167665473.db2.gz OPZZOZUSFBXHDJ-UHFFFAOYSA-N -1 1 313.321 0.703 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCC1=CCCCC1 ZINC001592940823 1167669927 /nfs/dbraw/zinc/66/99/27/1167669927.db2.gz BGXSZGHJTPZJBU-UHFFFAOYSA-N -1 1 302.342 0.465 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc2cnncc21 ZINC001592941569 1167670461 /nfs/dbraw/zinc/67/04/61/1167670461.db2.gz FFHGXVSROYDVJJ-UHFFFAOYSA-N -1 1 322.292 0.040 20 0 DCADMM O=C(NC[C@@]1(O)CCSC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593021065 1167687931 /nfs/dbraw/zinc/68/79/31/1167687931.db2.gz WAIDVPUWZFBDJL-LBPRGKRZSA-N -1 1 321.366 0.251 20 0 DCADMM O=C(NC[C@@]1(O)CCSC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593021065 1167687935 /nfs/dbraw/zinc/68/79/35/1167687935.db2.gz WAIDVPUWZFBDJL-LBPRGKRZSA-N -1 1 321.366 0.251 20 0 DCADMM O=C(NCC1(CCO)CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593015792 1167688166 /nfs/dbraw/zinc/68/81/66/1167688166.db2.gz GARYVHXCFZVYEO-UHFFFAOYSA-N -1 1 316.365 0.934 20 0 DCADMM O=C(NCC1(CCO)CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593015792 1167688168 /nfs/dbraw/zinc/68/81/68/1167688168.db2.gz GARYVHXCFZVYEO-UHFFFAOYSA-N -1 1 316.365 0.934 20 0 DCADMM O=C(NCCC[C@@H]1CCOC1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001593066318 1167696709 /nfs/dbraw/zinc/69/67/09/1167696709.db2.gz HKDJTIFAAMPLBX-MRVPVSSYSA-N -1 1 305.294 0.533 20 0 DCADMM O=C(NCCC[C@@H]1CCOC1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593066318 1167696717 /nfs/dbraw/zinc/69/67/17/1167696717.db2.gz HKDJTIFAAMPLBX-MRVPVSSYSA-N -1 1 305.294 0.533 20 0 DCADMM O=C(NCCCNc1ccccn1)c1cccc(-c2nn[n-]n2)n1 ZINC001593076177 1167697901 /nfs/dbraw/zinc/69/79/01/1167697901.db2.gz MDGJRPKMBCAEFZ-UHFFFAOYSA-N -1 1 324.348 0.889 20 0 DCADMM O=C(NCCCNc1nccnc1-c1nnn[n-]1)C1CC=CC1 ZINC001593079736 1167699648 /nfs/dbraw/zinc/69/96/48/1167699648.db2.gz UIWCJHRNVHYWIY-UHFFFAOYSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCCNc1nccnc1-c1nn[n-]n1)C1CC=CC1 ZINC001593079736 1167699654 /nfs/dbraw/zinc/69/96/54/1167699654.db2.gz UIWCJHRNVHYWIY-UHFFFAOYSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H](O)C1CC1 ZINC001593137736 1167721707 /nfs/dbraw/zinc/72/17/07/1167721707.db2.gz RVOAHIJFIMRWJK-SECBINFHSA-N -1 1 308.367 0.498 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc2[nH]c(=O)oc21 ZINC001593199357 1167736016 /nfs/dbraw/zinc/73/60/16/1167736016.db2.gz KTROFEIIHORJLN-UHFFFAOYSA-N -1 1 312.249 0.689 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc2[nH]c(=O)oc21 ZINC001593199357 1167736025 /nfs/dbraw/zinc/73/60/25/1167736025.db2.gz KTROFEIIHORJLN-UHFFFAOYSA-N -1 1 312.249 0.689 20 0 DCADMM O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593244965 1167742870 /nfs/dbraw/zinc/74/28/70/1167742870.db2.gz MYAFJLBEFJTJFA-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1CCC[C@H](CO)C1 ZINC001593244101 1167743870 /nfs/dbraw/zinc/74/38/70/1167743870.db2.gz LBPSOVGNRCXRGE-UWVGGRQHSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1CCC[C@H](CO)C1 ZINC001593244101 1167743879 /nfs/dbraw/zinc/74/38/79/1167743879.db2.gz LBPSOVGNRCXRGE-UWVGGRQHSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(Nc1cnc2ccnn2c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593258447 1167746199 /nfs/dbraw/zinc/74/61/99/1167746199.db2.gz HQCHYUNFKHBDDQ-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1cnc2ccnn2c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593258447 1167746207 /nfs/dbraw/zinc/74/62/07/1167746207.db2.gz HQCHYUNFKHBDDQ-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1ncc2c(n1)COC2)c1cccc(-c2nnn[n-]2)n1 ZINC001593269054 1167749615 /nfs/dbraw/zinc/74/96/15/1167749615.db2.gz WXXBMQIIFMTWAY-UHFFFAOYSA-N -1 1 310.277 0.334 20 0 DCADMM O=C(Nc1ncc2c(n1)COC2)c1cccc(-c2nn[n-]n2)n1 ZINC001593269054 1167749624 /nfs/dbraw/zinc/74/96/24/1167749624.db2.gz WXXBMQIIFMTWAY-UHFFFAOYSA-N -1 1 310.277 0.334 20 0 DCADMM O=C([O-])[C@@]1([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CCOC1 ZINC001593274982 1167751421 /nfs/dbraw/zinc/75/14/21/1167751421.db2.gz SMEGFLCWYSEYQW-CYBMUJFWSA-N -1 1 307.285 0.339 20 0 DCADMM O=C([O-])[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)n1)CC1CC1 ZINC001593276026 1167752217 /nfs/dbraw/zinc/75/22/17/1167752217.db2.gz IRYVJODPTBBEND-SNVBAGLBSA-N -1 1 302.338 0.852 20 0 DCADMM O=C([O-])[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)n1)CC1CC1 ZINC001593276026 1167752225 /nfs/dbraw/zinc/75/22/25/1167752225.db2.gz IRYVJODPTBBEND-SNVBAGLBSA-N -1 1 302.338 0.852 20 0 DCADMM O=C(O[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593280849 1167754352 /nfs/dbraw/zinc/75/43/52/1167754352.db2.gz BJTMZGIIRAQETM-QMMMGPOBSA-N -1 1 303.278 0.380 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nccs1 ZINC001593283007 1167759277 /nfs/dbraw/zinc/75/92/77/1167759277.db2.gz KMIALQRYGUGCIW-UHFFFAOYSA-N -1 1 316.302 0.758 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nccs1 ZINC001593283007 1167759282 /nfs/dbraw/zinc/75/92/82/1167759282.db2.gz KMIALQRYGUGCIW-UHFFFAOYSA-N -1 1 316.302 0.758 20 0 DCADMM O=C(OCc1cnn2c1CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593305299 1167766869 /nfs/dbraw/zinc/76/68/69/1167766869.db2.gz LFXBYHALFSETCT-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM O=C(OCc1cnn2c1CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593305299 1167766878 /nfs/dbraw/zinc/76/68/78/1167766878.db2.gz LFXBYHALFSETCT-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1C[C@@]12CCOC2 ZINC001593301789 1167767253 /nfs/dbraw/zinc/76/72/53/1167767253.db2.gz PMNNOJPJVVWDJW-IINYFYTJSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1C[C@@]12CCOC2 ZINC001593301789 1167767260 /nfs/dbraw/zinc/76/72/60/1167767260.db2.gz PMNNOJPJVVWDJW-IINYFYTJSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H](c2ncon2)C1 ZINC001593341859 1167782513 /nfs/dbraw/zinc/78/25/13/1167782513.db2.gz ZERAMGZRNLXIBC-ZETCQYMHSA-N -1 1 301.266 0.472 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H](c2ncon2)C1 ZINC001593341859 1167782520 /nfs/dbraw/zinc/78/25/20/1167782520.db2.gz ZERAMGZRNLXIBC-ZETCQYMHSA-N -1 1 301.266 0.472 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCc2nc(F)ccc21 ZINC001593348702 1167785632 /nfs/dbraw/zinc/78/56/32/1167785632.db2.gz MGMGLVVXDHTJPI-UHFFFAOYSA-N -1 1 311.280 0.999 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCc2nc(F)ccc21 ZINC001593348702 1167785643 /nfs/dbraw/zinc/78/56/43/1167785643.db2.gz MGMGLVVXDHTJPI-UHFFFAOYSA-N -1 1 311.280 0.999 20 0 DCADMM O=C1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1CC1CC1 ZINC001593384889 1167796186 /nfs/dbraw/zinc/79/61/86/1167796186.db2.gz UUXOVXBYKKTXFT-SECBINFHSA-N -1 1 300.326 0.080 20 0 DCADMM O=C1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1CC1CC1 ZINC001593384889 1167796192 /nfs/dbraw/zinc/79/61/92/1167796192.db2.gz UUXOVXBYKKTXFT-SECBINFHSA-N -1 1 300.326 0.080 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1CCC(=O)C1 ZINC001593388027 1167797022 /nfs/dbraw/zinc/79/70/22/1167797022.db2.gz FHSBWGRTRNGLTI-ZETCQYMHSA-N -1 1 301.310 0.775 20 0 DCADMM O=C1C[C@H](Nc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CN1 ZINC001593386705 1167797915 /nfs/dbraw/zinc/79/79/15/1167797915.db2.gz SZENHQVOKPQSIQ-LURJTMIESA-N -1 1 313.243 0.581 20 0 DCADMM O=C1C[C@H](Nc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CN1 ZINC001593386705 1167797925 /nfs/dbraw/zinc/79/79/25/1167797925.db2.gz SZENHQVOKPQSIQ-LURJTMIESA-N -1 1 313.243 0.581 20 0 DCADMM O=C1CCCN1CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001593391975 1167800208 /nfs/dbraw/zinc/80/02/08/1167800208.db2.gz AENPPLNLKMLJMB-UHFFFAOYSA-N -1 1 324.348 0.844 20 0 DCADMM O=C1CCCN1CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001593391975 1167800218 /nfs/dbraw/zinc/80/02/18/1167800218.db2.gz AENPPLNLKMLJMB-UHFFFAOYSA-N -1 1 324.348 0.844 20 0 DCADMM O=C(OC[C@@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593391697 1167802082 /nfs/dbraw/zinc/80/20/82/1167802082.db2.gz VHCPQMGOXRSXHR-VIFPVBQESA-N -1 1 316.321 0.335 20 0 DCADMM O=C(OC[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593391697 1167802087 /nfs/dbraw/zinc/80/20/87/1167802087.db2.gz VHCPQMGOXRSXHR-VIFPVBQESA-N -1 1 316.321 0.335 20 0 DCADMM O=C(N[C@H]1CCNC(=O)CC1)c1ccsc1-c1nnn[n-]1 ZINC001593389970 1167802456 /nfs/dbraw/zinc/80/24/56/1167802456.db2.gz FTHIRJCZNJHEHJ-SSDOTTSWSA-N -1 1 306.351 0.327 20 0 DCADMM O=C(N[C@H]1CCNC(=O)CC1)c1ccsc1-c1nn[n-]n1 ZINC001593389970 1167802467 /nfs/dbraw/zinc/80/24/67/1167802467.db2.gz FTHIRJCZNJHEHJ-SSDOTTSWSA-N -1 1 306.351 0.327 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001593391447 1167803043 /nfs/dbraw/zinc/80/30/43/1167803043.db2.gz WXNOZCPKUFKLIR-ONOSFVFSSA-N -1 1 303.347 0.770 20 0 DCADMM O=C1NCCC[C@@H]1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593409134 1167819993 /nfs/dbraw/zinc/81/99/93/1167819993.db2.gz UHKUCBCBMOIACV-SECBINFHSA-N -1 1 314.353 0.472 20 0 DCADMM O=C1NCCC[C@@H]1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593409134 1167820006 /nfs/dbraw/zinc/82/00/06/1167820006.db2.gz UHKUCBCBMOIACV-SECBINFHSA-N -1 1 314.353 0.472 20 0 DCADMM O=Cc1ccc(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001593415204 1167828571 /nfs/dbraw/zinc/82/85/71/1167828571.db2.gz BQWJZSRMZCRCNY-UHFFFAOYSA-N -1 1 322.328 0.933 20 0 DCADMM O=Cc1ccc(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001593415204 1167828585 /nfs/dbraw/zinc/82/85/85/1167828585.db2.gz BQWJZSRMZCRCNY-UHFFFAOYSA-N -1 1 322.328 0.933 20 0 DCADMM O=C1OCCN1C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001593414762 1167829892 /nfs/dbraw/zinc/82/98/92/1167829892.db2.gz MRPCUFCJKFELTL-UHFFFAOYSA-N -1 1 316.325 0.078 20 0 DCADMM O=C1OCCN1C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001593414762 1167829910 /nfs/dbraw/zinc/82/99/10/1167829910.db2.gz MRPCUFCJKFELTL-UHFFFAOYSA-N -1 1 316.325 0.078 20 0 DCADMM O=S(=O)(NCCn1cccc1)c1ccc(-c2nnn[n-]2)s1 ZINC001593440307 1167840482 /nfs/dbraw/zinc/84/04/82/1167840482.db2.gz YIQYKTKILTVLGW-UHFFFAOYSA-N -1 1 324.391 0.708 20 0 DCADMM O=S(=O)(NCCn1cccc1)c1ccc(-c2nn[n-]n2)s1 ZINC001593440307 1167840494 /nfs/dbraw/zinc/84/04/94/1167840494.db2.gz YIQYKTKILTVLGW-UHFFFAOYSA-N -1 1 324.391 0.708 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC2(C1)CCCC2 ZINC001593452478 1167844750 /nfs/dbraw/zinc/84/47/50/1167844750.db2.gz UTPFLLCTXGETPF-UHFFFAOYSA-N -1 1 320.378 0.826 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC2(C1)CCCC2 ZINC001593452478 1167844755 /nfs/dbraw/zinc/84/47/55/1167844755.db2.gz UTPFLLCTXGETPF-UHFFFAOYSA-N -1 1 320.378 0.826 20 0 DCADMM O=S1(=O)C[C@H]2CN(c3ccnc(-c4nnn[n-]4)c3)CC[C@@H]2C1 ZINC001593461085 1167849536 /nfs/dbraw/zinc/84/95/36/1167849536.db2.gz QWHOKAWPPSHARL-NXEZZACHSA-N -1 1 320.378 0.133 20 0 DCADMM O=S1(=O)C[C@H]2CN(c3ccnc(-c4nn[n-]n4)c3)CC[C@@H]2C1 ZINC001593461085 1167849542 /nfs/dbraw/zinc/84/95/42/1167849542.db2.gz QWHOKAWPPSHARL-NXEZZACHSA-N -1 1 320.378 0.133 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccc(F)cc1F ZINC001593489174 1167872841 /nfs/dbraw/zinc/87/28/41/1167872841.db2.gz CGJDARPNMCMLPT-UHFFFAOYSA-N -1 1 306.232 0.456 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CCC1SCCS1 ZINC001593489624 1167873445 /nfs/dbraw/zinc/87/34/45/1167873445.db2.gz RSKMZWZRZMLFKM-UHFFFAOYSA-N -1 1 312.380 0.325 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1ccn(-c2ccccc2)n1 ZINC001593494212 1167876292 /nfs/dbraw/zinc/87/62/92/1167876292.db2.gz KLPQGTQSAHIWKW-UHFFFAOYSA-N -1 1 320.316 0.657 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1CCc1c(F)cccc1F ZINC001593494691 1167877298 /nfs/dbraw/zinc/87/72/98/1167877298.db2.gz PIJZXQOVWYLJOO-UHFFFAOYSA-N -1 1 304.260 0.944 20 0 DCADMM O=c1n(Cc2ccc(-c3nnn[n-]3)o2)nnn1-c1ccccc1 ZINC001593497639 1167879132 /nfs/dbraw/zinc/87/91/32/1167879132.db2.gz HNADSXAIWPZDBZ-UHFFFAOYSA-N -1 1 310.277 0.250 20 0 DCADMM O=c1n(Cc2ccc(-c3nn[n-]n3)o2)nnn1-c1ccccc1 ZINC001593497639 1167879149 /nfs/dbraw/zinc/87/91/49/1167879149.db2.gz HNADSXAIWPZDBZ-UHFFFAOYSA-N -1 1 310.277 0.250 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1C[C@H]1COc2ccccc2O1 ZINC001593494731 1167880722 /nfs/dbraw/zinc/88/07/22/1167880722.db2.gz UXIWJNZEJVQPKX-VIFPVBQESA-N -1 1 312.289 0.263 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)Cc1ccc(F)cc1 ZINC001593507190 1167885041 /nfs/dbraw/zinc/88/50/41/1167885041.db2.gz NHHUSXDTNFKJAL-LLVKDONJSA-N -1 1 315.312 0.233 20 0 DCADMM O[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)c1c[nH]cn1 ZINC001593507222 1167885881 /nfs/dbraw/zinc/88/58/81/1167885881.db2.gz NYWGWMSFOPZSKV-RXMQYKEDSA-N -1 1 312.746 0.845 20 0 DCADMM O[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H]1CCCO1 ZINC001593508013 1167887068 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ZINC001603494964 1169312998 /nfs/dbraw/zinc/31/29/98/1169312998.db2.gz FEDCEGDBXKYKIO-ZETCQYMHSA-N -1 1 317.396 0.225 20 0 DCADMM C[C@H](CN(C)C(=O)C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001603503208 1169314746 /nfs/dbraw/zinc/31/47/46/1169314746.db2.gz OVEWNNKEYBGQDH-MRVPVSSYSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@H](CN(C)C(=O)C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001603503208 1169314756 /nfs/dbraw/zinc/31/47/56/1169314756.db2.gz OVEWNNKEYBGQDH-MRVPVSSYSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603536800 1169318935 /nfs/dbraw/zinc/31/89/35/1169318935.db2.gz ZNUIAUYPPOZHNW-IWSPIJDZSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603536800 1169318939 /nfs/dbraw/zinc/31/89/39/1169318939.db2.gz ZNUIAUYPPOZHNW-IWSPIJDZSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)C(=O)NCC(F)(F)F ZINC001603686680 1169352981 /nfs/dbraw/zinc/35/29/81/1169352981.db2.gz HAYZIXLPHOIATR-RXMQYKEDSA-N -1 1 316.247 0.136 20 0 DCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)C(=O)NCC(F)(F)F ZINC001603686680 1169352989 /nfs/dbraw/zinc/35/29/89/1169352989.db2.gz HAYZIXLPHOIATR-RXMQYKEDSA-N -1 1 316.247 0.136 20 0 DCADMM C[C@H](O)[C@@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)CCO1 ZINC001603694693 1169357753 /nfs/dbraw/zinc/35/77/53/1169357753.db2.gz CKWWGLVYBLJEAI-CBAPKCEASA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H](O)CC(C)(C)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603695306 1169358405 /nfs/dbraw/zinc/35/84/05/1169358405.db2.gz KIKZXTXZSKYCPP-VIFPVBQESA-N -1 1 304.354 0.789 20 0 DCADMM C[C@H](O)CC(C)(C)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603695306 1169358411 /nfs/dbraw/zinc/35/84/11/1169358411.db2.gz KIKZXTXZSKYCPP-VIFPVBQESA-N -1 1 304.354 0.789 20 0 DCADMM CC1(C)C(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1(C)C ZINC001603754793 1169379134 /nfs/dbraw/zinc/37/91/34/1169379134.db2.gz FMCNROWQIOOSIA-UHFFFAOYSA-N -1 1 304.358 0.257 20 0 DCADMM CC1(C)[C@@H](O)C[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603756609 1169379798 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C[C@H]1CCC(=O)CN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603874266 1169418487 /nfs/dbraw/zinc/41/84/87/1169418487.db2.gz URBDCRLQGPAXLW-QMMMGPOBSA-N -1 1 301.310 0.847 20 0 DCADMM C[C@H]1CCNC(=O)[C@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001603909213 1169432063 /nfs/dbraw/zinc/43/20/63/1169432063.db2.gz DAHSPFHRZGTOJJ-WHFBIAKZSA-N -1 1 313.774 0.913 20 0 DCADMM C[C@H]1CCNC(=O)[C@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001603909213 1169432067 /nfs/dbraw/zinc/43/20/67/1169432067.db2.gz DAHSPFHRZGTOJJ-WHFBIAKZSA-N -1 1 313.774 0.913 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)Cc2c[nH]nc21 ZINC001603926602 1169437301 /nfs/dbraw/zinc/43/73/01/1169437301.db2.gz FVXSYGWRJXDIEZ-QMMMGPOBSA-N -1 1 310.321 0.744 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CC[C@H]1O ZINC001603930081 1169438475 /nfs/dbraw/zinc/43/84/75/1169438475.db2.gz DURKNPKYGIHRRJ-LDYMZIIASA-N -1 1 305.313 0.849 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CC[C@H]1O ZINC001603930081 1169438477 /nfs/dbraw/zinc/43/84/77/1169438477.db2.gz DURKNPKYGIHRRJ-LDYMZIIASA-N -1 1 305.313 0.849 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H](CO)O1 ZINC001603930086 1169438665 /nfs/dbraw/zinc/43/86/65/1169438665.db2.gz DYKZARCZKIGGOV-HTQZYQBOSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H](CO)O1 ZINC001603930086 1169438670 /nfs/dbraw/zinc/43/86/70/1169438670.db2.gz DYKZARCZKIGGOV-HTQZYQBOSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@]2(CCOC2)O1 ZINC001603942016 1169445550 /nfs/dbraw/zinc/44/55/50/1169445550.db2.gz XYISGTVLSRUXLX-TVQRCGJNSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@]2(CCOC2)O1 ZINC001603942016 1169445555 /nfs/dbraw/zinc/44/55/55/1169445555.db2.gz XYISGTVLSRUXLX-TVQRCGJNSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@]2(CCOC2)O1 ZINC001603942015 1169446064 /nfs/dbraw/zinc/44/60/64/1169446064.db2.gz XYISGTVLSRUXLX-RNCFNFMXSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@]2(CCOC2)O1 ZINC001603942015 1169446071 /nfs/dbraw/zinc/44/60/71/1169446071.db2.gz XYISGTVLSRUXLX-RNCFNFMXSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1CO[C@@H](C(F)(F)F)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001603950141 1169448505 /nfs/dbraw/zinc/44/85/05/1169448505.db2.gz ZUBXXYDVNXPDMS-POYBYMJQSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CO[C@@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001603950141 1169448508 /nfs/dbraw/zinc/44/85/08/1169448508.db2.gz ZUBXXYDVNXPDMS-POYBYMJQSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1COCCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603948821 1169449335 /nfs/dbraw/zinc/44/93/35/1169449335.db2.gz PKHFDSDSNGJPNZ-SNVBAGLBSA-N -1 1 302.338 0.299 20 0 DCADMM C[C@H]1COCCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603948821 1169449339 /nfs/dbraw/zinc/44/93/39/1169449339.db2.gz PKHFDSDSNGJPNZ-SNVBAGLBSA-N -1 1 302.338 0.299 20 0 DCADMM C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H]1C ZINC001603955481 1169451313 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C/C=C(/C)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001603963526 1169455423 /nfs/dbraw/zinc/45/54/23/1169455423.db2.gz QXKSSIYCPBUUMG-KMKOMSMNSA-N -1 1 314.353 0.272 20 0 DCADMM C/C=C(/C)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001603963526 1169455428 /nfs/dbraw/zinc/45/54/28/1169455428.db2.gz QXKSSIYCPBUUMG-KMKOMSMNSA-N -1 1 314.353 0.272 20 0 DCADMM CCC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603974747 1169460838 /nfs/dbraw/zinc/46/08/38/1169460838.db2.gz ZONNZBKAIJLUOS-KYZUINATSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603974747 1169460844 /nfs/dbraw/zinc/46/08/44/1169460844.db2.gz ZONNZBKAIJLUOS-KYZUINATSA-N -1 1 302.342 0.373 20 0 DCADMM CC[C@@](C)(CCO)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603987763 1169465121 /nfs/dbraw/zinc/46/51/21/1169465121.db2.gz XWAYYGJNWZHKAO-ZDUSSCGKSA-N -1 1 305.342 0.934 20 0 DCADMM CC[C@@](C)(CCO)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603987763 1169465126 /nfs/dbraw/zinc/46/51/26/1169465126.db2.gz 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COCCCN(CCOC)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605086570 1169814571 /nfs/dbraw/zinc/81/45/71/1169814571.db2.gz DHZBXHHQQOYBFE-UHFFFAOYSA-N -1 1 320.353 0.387 20 0 DCADMM COCC[C@H]1COCCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001605084245 1169816976 /nfs/dbraw/zinc/81/69/76/1169816976.db2.gz ZOHCPQWQZVMSHR-JTQLQIEISA-N -1 1 305.342 0.207 20 0 DCADMM COCC[C@H]1COCCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605084245 1169816987 /nfs/dbraw/zinc/81/69/87/1169816987.db2.gz ZOHCPQWQZVMSHR-JTQLQIEISA-N -1 1 305.342 0.207 20 0 DCADMM COC[C@H]1C[C@@H](Nc2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001605129783 1169837604 /nfs/dbraw/zinc/83/76/04/1169837604.db2.gz WTJZQLHXRQJFBW-DTORHVGOSA-N -1 1 318.337 0.885 20 0 DCADMM COC[C@H]1C[C@@H](Nc2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001605129783 1169837613 /nfs/dbraw/zinc/83/76/13/1169837613.db2.gz WTJZQLHXRQJFBW-DTORHVGOSA-N -1 1 318.337 0.885 20 0 DCADMM CON1CCC(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001605143541 1169842550 /nfs/dbraw/zinc/84/25/50/1169842550.db2.gz 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CS(=O)(=O)CCCCCNc1nccnc1-c1nnn[n-]1 ZINC001605354366 1169903224 /nfs/dbraw/zinc/90/32/24/1169903224.db2.gz OJNKYLSMWCMSKX-UHFFFAOYSA-N -1 1 311.371 0.284 20 0 DCADMM CS(=O)(=O)CCCCCNc1nccnc1-c1nn[n-]n1 ZINC001605354366 1169903229 /nfs/dbraw/zinc/90/32/29/1169903229.db2.gz OJNKYLSMWCMSKX-UHFFFAOYSA-N -1 1 311.371 0.284 20 0 DCADMM CCCn1nccc1NC(=O)CN[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001605390830 1169909797 /nfs/dbraw/zinc/90/97/97/1169909797.db2.gz MWTYWZXIAGGJTR-RYUDHWBXSA-N -1 1 324.381 0.844 20 0 DCADMM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001605439076 1169921994 /nfs/dbraw/zinc/92/19/94/1169921994.db2.gz FREZRJWPXRHTJQ-ZETCQYMHSA-N -1 1 301.310 0.115 20 0 DCADMM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001605439076 1169921998 /nfs/dbraw/zinc/92/19/98/1169921998.db2.gz FREZRJWPXRHTJQ-ZETCQYMHSA-N -1 1 301.310 0.115 20 0 DCADMM CCN(CCNC(=O)NC[C@H](F)C(=O)[O-])CCC(F)(F)F ZINC001605449039 1169924986 /nfs/dbraw/zinc/92/49/86/1169924986.db2.gz 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1169941478 /nfs/dbraw/zinc/94/14/78/1169941478.db2.gz ALFBEAMZOFAZEV-UHFFFAOYSA-N -1 1 311.305 0.947 20 0 DCADMM CCOC(=O)[C@H]1CN(Cc2cc(C(=O)[O-])co2)CC12COC2 ZINC001605525882 1169947507 /nfs/dbraw/zinc/94/75/07/1169947507.db2.gz FGANJKYKZXTJIM-GFCCVEGCSA-N -1 1 309.318 0.989 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]([C@@H]3CCOC3)C2)n1 ZINC001605560354 1169960405 /nfs/dbraw/zinc/96/04/05/1169960405.db2.gz SFLAWQSJYZODDG-WDEREUQCSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]([C@@H]3CCOC3)C2)n1 ZINC001605560354 1169960411 /nfs/dbraw/zinc/96/04/11/1169960411.db2.gz SFLAWQSJYZODDG-WDEREUQCSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1 ZINC001605562508 1169960962 /nfs/dbraw/zinc/96/09/62/1169960962.db2.gz HKNCIASNGWKQGS-RYUDHWBXSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1 ZINC001605562508 1169960968 /nfs/dbraw/zinc/96/09/68/1169960968.db2.gz HKNCIASNGWKQGS-RYUDHWBXSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2[C@@H](C)CO)n1 ZINC001605561028 1169961370 /nfs/dbraw/zinc/96/13/70/1169961370.db2.gz PGEKOPJLYQQCRL-CABZTGNLSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2[C@@H](C)CO)n1 ZINC001605561028 1169961372 /nfs/dbraw/zinc/96/13/72/1169961372.db2.gz PGEKOPJLYQQCRL-CABZTGNLSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)NC(=O)C(C)C)n1 ZINC001605581112 1169964353 /nfs/dbraw/zinc/96/43/53/1169964353.db2.gz ZBUHVUYNVCNFJY-SECBINFHSA-N -1 1 304.358 0.538 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)NC(=O)C(C)C)n1 ZINC001605581112 1169964359 /nfs/dbraw/zinc/96/43/59/1169964359.db2.gz ZBUHVUYNVCNFJY-SECBINFHSA-N -1 1 304.358 0.538 20 0 DCADMM CCOC(=O)c1noc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])n1 ZINC001605582995 1169965701 /nfs/dbraw/zinc/96/57/01/1169965701.db2.gz UGIIMXOLPHQJPN-NGZCFLSTSA-N -1 1 309.322 0.931 20 0 DCADMM CCO[C@@H]1C[C@](NC(=O)CCc2c[nH]nn2)(C(=O)[O-])C1(C)C ZINC001605603351 1169970126 /nfs/dbraw/zinc/97/01/26/1169970126.db2.gz BLKLTNQUISWMOQ-YGRLFVJLSA-N -1 1 310.354 0.512 20 0 DCADMM CCO[C@@H]1C[C@](NC(=O)CCc2cnn[nH]2)(C(=O)[O-])C1(C)C ZINC001605603351 1169970132 /nfs/dbraw/zinc/97/01/32/1169970132.db2.gz BLKLTNQUISWMOQ-YGRLFVJLSA-N -1 1 310.354 0.512 20 0 DCADMM Cc1cc(C)n(CC(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)n1 ZINC001605649268 1169981161 /nfs/dbraw/zinc/98/11/61/1169981161.db2.gz BKGKXAVQVXQDTR-UHFFFAOYSA-N -1 1 315.341 0.361 20 0 DCADMM Cc1cc(C)n(CC(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)n1 ZINC001605649268 1169981167 /nfs/dbraw/zinc/98/11/67/1169981167.db2.gz BKGKXAVQVXQDTR-UHFFFAOYSA-N -1 1 315.341 0.361 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@@]2(CCCOC2)C1 ZINC001605802989 1170005602 /nfs/dbraw/zinc/00/56/02/1170005602.db2.gz SJWBHYJAOUEBFS-HNNXBMFYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@@]2(CCCOC2)C1 ZINC001605802989 1170005610 /nfs/dbraw/zinc/00/56/10/1170005610.db2.gz SJWBHYJAOUEBFS-HNNXBMFYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(N2CCC3(COC(=O)N3)CC2)c(-c2nnn[n-]2)n1 ZINC001605865286 1170016027 /nfs/dbraw/zinc/01/60/27/1170016027.db2.gz UYRGFZHBOKDFPA-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM Cc1ccc(N2CCC3(COC(=O)N3)CC2)c(-c2nn[n-]n2)n1 ZINC001605865286 1170016032 /nfs/dbraw/zinc/01/60/32/1170016032.db2.gz UYRGFZHBOKDFPA-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM Cc1ccccc1[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001605936318 1170029559 /nfs/dbraw/zinc/02/95/59/1170029559.db2.gz MSENZEGUWVAXNY-SNVBAGLBSA-N -1 1 312.337 0.644 20 0 DCADMM Cc1cnccc1COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001605986111 1170042615 /nfs/dbraw/zinc/04/26/15/1170042615.db2.gz KWTGRYIFWBQNND-SECBINFHSA-N -1 1 314.309 0.466 20 0 DCADMM Cc1nn[nH]c1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606015157 1170051119 /nfs/dbraw/zinc/05/11/19/1170051119.db2.gz FKUOMCPPQVXVIK-UHFFFAOYSA-N -1 1 320.263 0.501 20 0 DCADMM Cc1nn[nH]c1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606015157 1170051126 /nfs/dbraw/zinc/05/11/26/1170051126.db2.gz FKUOMCPPQVXVIK-UHFFFAOYSA-N -1 1 320.263 0.501 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC(=O)NC(C)C)n1 ZINC001606034765 1170060656 /nfs/dbraw/zinc/06/06/56/1170060656.db2.gz GULLECCAZFSWRX-UHFFFAOYSA-N -1 1 307.383 0.890 20 0 DCADMM Cc1nc(N[C@@H](CO)CC(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001606065341 1170066976 /nfs/dbraw/zinc/06/69/76/1170066976.db2.gz PZTNWDKXJMLITB-ZCFIWIBFSA-N -1 1 303.248 0.690 20 0 DCADMM Cc1nc(N[C@@H](CO)CC(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001606065341 1170066981 /nfs/dbraw/zinc/06/69/81/1170066981.db2.gz PZTNWDKXJMLITB-ZCFIWIBFSA-N -1 1 303.248 0.690 20 0 DCADMM Cc1nn(C)c(C)c1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001606107772 1170077713 /nfs/dbraw/zinc/07/77/13/1170077713.db2.gz SLTCCEDPVIHXAH-UHFFFAOYSA-N -1 1 301.314 0.501 20 0 DCADMM Cc1nn(C)c(Cl)c1CN(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001606109771 1170079216 /nfs/dbraw/zinc/07/92/16/1170079216.db2.gz VTEYKEJQHREMGO-UHFFFAOYSA-N -1 1 319.760 0.988 20 0 DCADMM Cc1nn(C)c(Cl)c1CN(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001606109771 1170079223 /nfs/dbraw/zinc/07/92/23/1170079223.db2.gz VTEYKEJQHREMGO-UHFFFAOYSA-N -1 1 319.760 0.988 20 0 DCADMM Cc1nn(COC(=O)C2CCC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606115913 1170080499 /nfs/dbraw/zinc/08/04/99/1170080499.db2.gz IKOCLDXQNJBCDN-UHFFFAOYSA-N -1 1 304.310 0.341 20 0 DCADMM Cc1noc(CCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)n1 ZINC001606134636 1170092317 /nfs/dbraw/zinc/09/23/17/1170092317.db2.gz WKYHJZDVCJOTEG-UHFFFAOYSA-N -1 1 313.325 0.880 20 0 DCADMM Cc1noc(CCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)n1 ZINC001606134636 1170092322 /nfs/dbraw/zinc/09/23/22/1170092322.db2.gz WKYHJZDVCJOTEG-UHFFFAOYSA-N -1 1 313.325 0.880 20 0 DCADMM Cc1nsc(NC[C@@H](O)COCC2CC2)c1-c1nn[n-]n1 ZINC001606159449 1170097490 /nfs/dbraw/zinc/09/74/90/1170097490.db2.gz YPPXJPJELQTYOH-SECBINFHSA-N -1 1 310.383 0.831 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC001606166346 1170097900 /nfs/dbraw/zinc/09/79/00/1170097900.db2.gz BIKVLFBCIZGJPM-RCOVLWMOSA-N -1 1 314.309 0.795 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC001606166346 1170097906 /nfs/dbraw/zinc/09/79/06/1170097906.db2.gz BIKVLFBCIZGJPM-RCOVLWMOSA-N -1 1 314.309 0.795 20 0 DCADMM Cc1nsc(NC[C@@H]2CCCS2(=O)=O)c1-c1nn[n-]n1 ZINC001606158166 1170098798 /nfs/dbraw/zinc/09/87/98/1170098798.db2.gz FACGEHUMDMCFLB-ZETCQYMHSA-N -1 1 314.396 0.621 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nc(C(N)=O)cs1 ZINC001606170190 1170102013 /nfs/dbraw/zinc/10/20/13/1170102013.db2.gz ZSCYWNJIFTUPBS-UHFFFAOYSA-N -1 1 319.306 0.576 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nc(C(N)=O)cs1 ZINC001606170190 1170102015 /nfs/dbraw/zinc/10/20/15/1170102015.db2.gz ZSCYWNJIFTUPBS-UHFFFAOYSA-N -1 1 319.306 0.576 20 0 DCADMM Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)CCO)c(-c2nn[nH]n2)c1C ZINC001606174070 1170102393 /nfs/dbraw/zinc/10/23/93/1170102393.db2.gz TYGCZIWSJGQLQR-QMMMGPOBSA-N -1 1 322.369 0.718 20 0 DCADMM Cn1cc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cn1 ZINC001606174312 1170102933 /nfs/dbraw/zinc/10/29/33/1170102933.db2.gz FZHOCZRRVAHJCB-UONOGXRCSA-N -1 1 320.393 0.564 20 0 DCADMM CN1CCN(C(=O)c2ccc3cnccc3n2)C[C@@H](C(=O)[O-])C1 ZINC001606235209 1170128329 /nfs/dbraw/zinc/12/83/29/1170128329.db2.gz DJTRKLQPAMJGEO-LBPRGKRZSA-N -1 1 314.345 0.718 20 0 DCADMM CN1CCN(c2cc(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])ccn2)CC1 ZINC001606245351 1170136311 /nfs/dbraw/zinc/13/63/11/1170136311.db2.gz CWYUQOZSWXYYAR-OLZOCXBDSA-N -1 1 318.377 0.426 20 0 DCADMM Cn1cccc1C(=O)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001606254377 1170137569 /nfs/dbraw/zinc/13/75/69/1170137569.db2.gz PLCFYYNIMWSEOM-UHFFFAOYSA-N -1 1 324.344 0.739 20 0 DCADMM COC(=O)[C@H](CCC(=O)[O-])N1C[C@@H](O)CC2(CCOCC2)C1 ZINC001606333684 1170160545 /nfs/dbraw/zinc/16/05/45/1170160545.db2.gz VCRWKTDHNLAOGE-RYUDHWBXSA-N -1 1 315.366 0.256 20 0 DCADMM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1cnc[nH]1 ZINC001606369840 1170171529 /nfs/dbraw/zinc/17/15/29/1170171529.db2.gz HYRDJAYNTAHJFL-MWLCHTKSSA-N -1 1 309.322 0.207 20 0 DCADMM NC(=O)[C@H]1CSCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001606408738 1170188523 /nfs/dbraw/zinc/18/85/23/1170188523.db2.gz HNOKZCUIGMSKLH-MRVPVSSYSA-N -1 1 310.408 0.331 20 0 DCADMM COC(=O)[C@@H]1CCN(CC(=O)NCCC(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001606409352 1170189146 /nfs/dbraw/zinc/18/91/46/1170189146.db2.gz GAMDHPQBCZCLMD-UTUOFQBUSA-N -1 1 312.366 0.241 20 0 DCADMM O=C(CC1CCSCC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001606507365 1170223765 /nfs/dbraw/zinc/22/37/65/1170223765.db2.gz PBIYEVKTYJHWOZ-UHFFFAOYSA-N -1 1 322.398 0.108 20 0 DCADMM O=C(CCCNC(=O)c1csc(-c2nn[n-]n2)c1)NC1CC1 ZINC001606518855 1170226307 /nfs/dbraw/zinc/22/63/07/1170226307.db2.gz AJYSYEBCDUSMGZ-UHFFFAOYSA-N -1 1 320.378 0.717 20 0 DCADMM O=C(CCCF)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001606519227 1170227060 /nfs/dbraw/zinc/22/70/60/1170227060.db2.gz MTJQSRRYFURBFB-UHFFFAOYSA-N -1 1 324.320 0.115 20 0 DCADMM O=C(CCCF)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001606519227 1170227063 /nfs/dbraw/zinc/22/70/63/1170227063.db2.gz MTJQSRRYFURBFB-UHFFFAOYSA-N -1 1 324.320 0.115 20 0 DCADMM COC(=O)c1cccc([C@@H](C(=O)[O-])N2CCCN(C=O)CC2)c1 ZINC001606613656 1170242736 /nfs/dbraw/zinc/24/27/36/1170242736.db2.gz YQPSUGBYEFQRGF-AWEZNQCLSA-N -1 1 320.345 0.763 20 0 DCADMM O=C(Cn1cc(C2CC2)nn1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606616544 1170243273 /nfs/dbraw/zinc/24/32/73/1170243273.db2.gz WUCMDWXROQXGIZ-UHFFFAOYSA-N -1 1 311.309 0.369 20 0 DCADMM O=C(Cn1cc(C2CC2)nn1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606616544 1170243280 /nfs/dbraw/zinc/24/32/80/1170243280.db2.gz WUCMDWXROQXGIZ-UHFFFAOYSA-N -1 1 311.309 0.369 20 0 DCADMM COC(=O)c1cccc(NC(=O)CN[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001606614700 1170244179 /nfs/dbraw/zinc/24/41/79/1170244179.db2.gz ZJKGZCVFTZECJM-WCQYABFASA-N -1 1 322.317 0.243 20 0 DCADMM O=C(N[C@H]1C[C@H](O)C12CCC2)c1ccsc1-c1nnn[n-]1 ZINC001606646708 1170251153 /nfs/dbraw/zinc/25/11/53/1170251153.db2.gz BAYNEQYHWCVLQA-IUCAKERBSA-N -1 1 305.363 0.962 20 0 DCADMM O=C(N[C@H]1C[C@H](O)C12CCC2)c1ccsc1-c1nn[n-]n1 ZINC001606646708 1170251156 /nfs/dbraw/zinc/25/11/56/1170251156.db2.gz BAYNEQYHWCVLQA-IUCAKERBSA-N -1 1 305.363 0.962 20 0 DCADMM O=C(N[C@@H]1CCc2n[nH]cc2C1)c1ccsc1-c1nnn[n-]1 ZINC001606682538 1170260983 /nfs/dbraw/zinc/26/09/83/1170260983.db2.gz GDCZSFKXCFWACC-MRVPVSSYSA-N -1 1 315.362 0.939 20 0 DCADMM O=C(N[C@@H]1CCc2n[nH]cc2C1)c1ccsc1-c1nn[n-]n1 ZINC001606682538 1170260989 /nfs/dbraw/zinc/26/09/89/1170260989.db2.gz GDCZSFKXCFWACC-MRVPVSSYSA-N -1 1 315.362 0.939 20 0 DCADMM O=C(CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001606696766 1170265343 /nfs/dbraw/zinc/26/53/43/1170265343.db2.gz VSPBMPGXQFGNON-UHFFFAOYSA-N -1 1 307.260 0.854 20 0 DCADMM O=C(CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001606696766 1170265348 /nfs/dbraw/zinc/26/53/48/1170265348.db2.gz VSPBMPGXQFGNON-UHFFFAOYSA-N -1 1 307.260 0.854 20 0 DCADMM O=C(NCC1(N2CCOCC2)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606705662 1170269979 /nfs/dbraw/zinc/26/99/79/1170269979.db2.gz PGBPCGNPSHTOLR-UHFFFAOYSA-N -1 1 318.337 0.054 20 0 DCADMM O=C(NCC1(N2CCOCC2)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606705662 1170269985 /nfs/dbraw/zinc/26/99/85/1170269985.db2.gz PGBPCGNPSHTOLR-UHFFFAOYSA-N -1 1 318.337 0.054 20 0 DCADMM O=C(NCC1=CCOCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606716946 1170271678 /nfs/dbraw/zinc/27/16/78/1170271678.db2.gz AYNSXMLUCZCNLP-UHFFFAOYSA-N -1 1 301.310 0.730 20 0 DCADMM O=C(NCC1=CCOCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606716946 1170271683 /nfs/dbraw/zinc/27/16/83/1170271683.db2.gz AYNSXMLUCZCNLP-UHFFFAOYSA-N -1 1 301.310 0.730 20 0 DCADMM O=C(NCC1CC2(C1)OCCO2)c1coc(-c2nnn[n-]2)c1 ZINC001606725668 1170273995 /nfs/dbraw/zinc/27/39/95/1170273995.db2.gz QDZUFYFRADDZTL-UHFFFAOYSA-N -1 1 305.294 0.343 20 0 DCADMM O=C(NCC1CC2(C1)OCCO2)c1coc(-c2nn[n-]n2)c1 ZINC001606725668 1170274004 /nfs/dbraw/zinc/27/40/04/1170274004.db2.gz QDZUFYFRADDZTL-UHFFFAOYSA-N -1 1 305.294 0.343 20 0 DCADMM CO[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)[C@@H](C(=O)[O-])C1 ZINC001606750511 1170277505 /nfs/dbraw/zinc/27/75/05/1170277505.db2.gz LMDWOWGSFFYHBU-OPQQBVKSSA-N -1 1 307.350 0.605 20 0 DCADMM CO[C@@H]1CN(C(=O)c2ccc3n2CCN[C@H]3C)[C@](C)(C(=O)[O-])C1 ZINC001606765236 1170281524 /nfs/dbraw/zinc/28/15/24/1170281524.db2.gz NIBYQWSAXPHMTA-MMPTUQATSA-N -1 1 321.377 0.857 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NC1(C2CCC2)CC1 ZINC001606801806 1170294559 /nfs/dbraw/zinc/29/45/59/1170294559.db2.gz BMHJVKXXSROHIR-UHFFFAOYSA-N -1 1 317.357 0.090 20 0 DCADMM COC[C@H](NC(=O)c1ccc(C=CC(=O)[O-])o1)c1nn[nH]n1 ZINC001606812480 1170297682 /nfs/dbraw/zinc/29/76/82/1170297682.db2.gz GPDMOHDOAASLKV-WGAJWPLOSA-N -1 1 307.266 0.008 20 0 DCADMM COC[C@]1(C(=O)[O-])CCCN1C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC001606833383 1170306062 /nfs/dbraw/zinc/30/60/62/1170306062.db2.gz ATAQACCJKYBAKQ-CFVMTHIKSA-N -1 1 301.383 0.464 20 0 DCADMM COC[C@@H]1CNCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001606848798 1170312901 /nfs/dbraw/zinc/31/29/01/1170312901.db2.gz VLZFXEFAPCJXNK-LBPRGKRZSA-N -1 1 323.349 0.602 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cccc2ncnn21 ZINC001606934808 1170334620 /nfs/dbraw/zinc/33/46/20/1170334620.db2.gz LPRYEBLBXBRZOY-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cccc2ncnn21 ZINC001606934808 1170334627 /nfs/dbraw/zinc/33/46/27/1170334627.db2.gz LPRYEBLBXBRZOY-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM CONC(=O)C1CCN(Cc2cc(C(=O)[O-])c(C)n2C)CC1 ZINC001606996203 1170348486 /nfs/dbraw/zinc/34/84/86/1170348486.db2.gz MKEBYFVLZPAIHP-UHFFFAOYSA-N -1 1 309.366 0.921 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCn2ccnc21 ZINC001607016120 1170356920 /nfs/dbraw/zinc/35/69/20/1170356920.db2.gz XVQIXOOIKGNVEK-UHFFFAOYSA-N -1 1 316.712 0.772 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@]2(CCOC2)C1 ZINC001607021767 1170359409 /nfs/dbraw/zinc/35/94/09/1170359409.db2.gz BBPLZPNRWVRMTA-AWEZNQCLSA-N -1 1 300.322 0.514 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@]2(CCOC2)C1 ZINC001607021767 1170359416 /nfs/dbraw/zinc/35/94/16/1170359416.db2.gz BBPLZPNRWVRMTA-AWEZNQCLSA-N -1 1 300.322 0.514 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H]1C1OCCO1 ZINC001607030533 1170360428 /nfs/dbraw/zinc/36/04/28/1170360428.db2.gz GXZQZGSIKOKMBY-VIFPVBQESA-N -1 1 305.294 0.437 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H]1C1OCCO1 ZINC001607030533 1170360436 /nfs/dbraw/zinc/36/04/36/1170360436.db2.gz GXZQZGSIKOKMBY-VIFPVBQESA-N -1 1 305.294 0.437 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)C1CC(=O)C1 ZINC001607040132 1170362287 /nfs/dbraw/zinc/36/22/87/1170362287.db2.gz PXZDPZRAYNWRIA-UHFFFAOYSA-N -1 1 307.260 0.740 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)C1CC(=O)C1 ZINC001607040132 1170362288 /nfs/dbraw/zinc/36/22/88/1170362288.db2.gz PXZDPZRAYNWRIA-UHFFFAOYSA-N -1 1 307.260 0.740 20 0 DCADMM O=C1CCC(=O)N1CCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001607039300 1170363300 /nfs/dbraw/zinc/36/33/00/1170363300.db2.gz DRWLHAQSIBCNHR-UHFFFAOYSA-N -1 1 301.310 0.213 20 0 DCADMM O=C1CCC(=O)N1CCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001607039300 1170363310 /nfs/dbraw/zinc/36/33/10/1170363310.db2.gz 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CCOCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071952242 762251575 /nfs/dbraw/zinc/25/15/75/762251575.db2.gz JTLZVAGDVMMCQV-WDEREUQCSA-N -1 1 307.350 0.400 20 0 DCADMM O=C(c1ncccc1[O-])N1C[C@@H]2C[C@H]1CN2c1ncc(F)cn1 ZINC001062479683 754760512 /nfs/dbraw/zinc/76/05/12/754760512.db2.gz FYTRLOJRACRWQK-QWRGUYRKSA-N -1 1 315.308 0.820 20 0 DCADMM CC(C)C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1nc(=O)n(C)[n-]1 ZINC001049336770 755226020 /nfs/dbraw/zinc/22/60/20/755226020.db2.gz QSOBCLNEVLLGAY-RYUDHWBXSA-N -1 1 307.398 0.330 20 0 DCADMM CC[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1 ZINC001065074583 755671572 /nfs/dbraw/zinc/67/15/72/755671572.db2.gz WTZIVWTUAZGTBV-NWDGAFQWSA-N -1 1 321.377 0.791 20 0 DCADMM CO[C@@H](C)CN1CC2(C1)CN(C(=O)c1ncccc1[O-])CCO2 ZINC001053232652 755965659 /nfs/dbraw/zinc/96/56/59/755965659.db2.gz UQRAJWIHICEZLN-LBPRGKRZSA-N -1 1 321.377 0.349 20 0 DCADMM CC(=O)NC[C@@H]1Cc2ccccc2CN1Cc1nc(=O)n(C)[n-]1 ZINC001054031088 756342760 /nfs/dbraw/zinc/34/27/60/756342760.db2.gz 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C[C@@H]1CN(C(=O)C=Cc2ccc[nH]2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054615155 756573881 /nfs/dbraw/zinc/57/38/81/756573881.db2.gz WPOVJLOXYKTDLM-PRANIUCASA-N -1 1 316.365 0.488 20 0 DCADMM C[C@@H]1CN(C(=O)C=Cc2ccc[nH]2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054615157 756573893 /nfs/dbraw/zinc/57/38/93/756573893.db2.gz WPOVJLOXYKTDLM-SFLCEZBHSA-N -1 1 316.365 0.488 20 0 DCADMM CCc1[nH]ccc1C(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054631113 756584286 /nfs/dbraw/zinc/58/42/86/756584286.db2.gz XTUCWDZZWFFTNU-JOYOIKCWSA-N -1 1 318.381 0.651 20 0 DCADMM C[C@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054913920 756673948 /nfs/dbraw/zinc/67/39/48/756673948.db2.gz KNEJOTURYUJRTN-XVKPBYJWSA-N -1 1 308.317 0.228 20 0 DCADMM COCCC(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC001055116307 756723598 /nfs/dbraw/zinc/72/35/98/756723598.db2.gz BNTZQMKIKLWANW-TXEJJXNPSA-N -1 1 319.361 0.354 20 0 DCADMM Cn1[n-]c(CN2CCC3(CN(C(=O)CC(C)(C)C)C3)C2)nc1=O ZINC001072477198 762508047 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DCADMM CC[C@H](F)C(=O)NCCN(CCO)C(=O)c1ncccc1[O-] ZINC001057416050 757746533 /nfs/dbraw/zinc/74/65/33/757746533.db2.gz CEHIGOLKZGHHGW-JTQLQIEISA-N -1 1 313.329 0.086 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)C(C)(C)C)[C@@H]3C2)nc1=O ZINC001084790767 758042042 /nfs/dbraw/zinc/04/20/42/758042042.db2.gz UHUGELKCYPOGGN-GHMZBOCLSA-N -1 1 307.398 0.187 20 0 DCADMM Nc1nc(Cl)ccc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001170383207 762630822 /nfs/dbraw/zinc/63/08/22/762630822.db2.gz MKOGQCMSCRVJRT-SSDOTTSWSA-N -1 1 309.717 0.044 20 0 DCADMM O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)c1cc[nH]c1 ZINC001085207972 758756444 /nfs/dbraw/zinc/75/64/44/758756444.db2.gz VIIJJPNWMQXAOR-GHMZBOCLSA-N -1 1 304.354 0.669 20 0 DCADMM O=C(C1CC2(CC2)C1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051820547 758969821 /nfs/dbraw/zinc/96/98/21/758969821.db2.gz BJABQXJGSSYTMP-LLVKDONJSA-N -1 1 321.381 0.018 20 0 DCADMM CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001051885954 759015215 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COC(=O)c1ccccc1C(=O)Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001148225629 767941337 /nfs/dbraw/zinc/94/13/37/767941337.db2.gz SEWFTKXWHGWVHC-UHFFFAOYSA-N -1 1 304.262 0.509 20 0 DCADMM COCc1cc(NC[C@H](C)NC(=O)c2ncccc2[O-])ncn1 ZINC001108323595 760400057 /nfs/dbraw/zinc/40/00/57/760400057.db2.gz SWFJGGOCGVSUCB-JTQLQIEISA-N -1 1 317.349 0.954 20 0 DCADMM CCOC(=O)[C@@H]1CC[C@H](Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)CO1 ZINC001169336988 760651201 /nfs/dbraw/zinc/65/12/01/760651201.db2.gz AJSWVIVPWRDCMK-BQBZGAKWSA-N -1 1 323.309 0.238 20 0 DCADMM COCCC(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001070338708 761173395 /nfs/dbraw/zinc/17/33/95/761173395.db2.gz MZVRMYPALQDGHW-LLVKDONJSA-N -1 1 307.350 0.545 20 0 DCADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)c1cccc(C(F)F)c1 ZINC001148572808 768019218 /nfs/dbraw/zinc/01/92/18/768019218.db2.gz MLRLPLZISBVFHT-UHFFFAOYSA-N -1 1 311.292 0.968 20 0 DCADMM C[N@@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C1 ZINC001148927288 768061263 /nfs/dbraw/zinc/06/12/63/768061263.db2.gz 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ZINC001390303271 989973339 /nfs/dbraw/zinc/97/33/39/989973339.db2.gz WDUNDIXUBBXIFV-JTQLQIEISA-N -1 1 303.322 0.449 20 0 DCADMM CC(C)(CC(=O)[O-])NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC001590649465 990338820 /nfs/dbraw/zinc/33/88/20/990338820.db2.gz AJHFHCIDYVTISV-ZDUSSCGKSA-N -1 1 304.412 0.645 20 0 DCADMM CCN(CCNC(=O)[C@@H]1CC12CCCC2)Cc1nc(=O)n(C)[n-]1 ZINC001390986644 990503310 /nfs/dbraw/zinc/50/33/10/990503310.db2.gz HTPQYBJFNFMROW-LBPRGKRZSA-N -1 1 321.425 0.627 20 0 DCADMM CCN(CCNC(=O)c1cccn1CC)Cc1nc(=O)n(C)[n-]1 ZINC001391028221 990526948 /nfs/dbraw/zinc/52/69/48/990526948.db2.gz XEXGWXSZEWINQG-UHFFFAOYSA-N -1 1 320.397 0.182 20 0 DCADMM CN(C)C(=O)CN1CCCN(Cc2occc2C(=O)[O-])CC1 ZINC001598130034 990567197 /nfs/dbraw/zinc/56/71/97/990567197.db2.gz OTCFHXJJXMSWEN-UHFFFAOYSA-N -1 1 309.366 0.574 20 0 DCADMM CN(C)C1(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])CC1 ZINC001598176002 990726547 /nfs/dbraw/zinc/72/65/47/990726547.db2.gz JJBVFPFYOJBANG-GFCCVEGCSA-N -1 1 310.325 0.868 20 0 DCADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])CCO1 ZINC001591073081 991538822 /nfs/dbraw/zinc/53/88/22/991538822.db2.gz RNXWBZREDHLLJN-RAIGVLPGSA-N -1 1 309.366 0.973 20 0 DCADMM CN(CC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)[C@@H]1CCSC1 ZINC001598380753 991586462 /nfs/dbraw/zinc/58/64/62/991586462.db2.gz QCKLRFMNEMKXKF-YPMHNXCESA-N -1 1 316.423 0.108 20 0 DCADMM COc1nccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)n1 ZINC001599734528 991755586 /nfs/dbraw/zinc/75/55/86/991755586.db2.gz KDEINIWMDANUPU-JTQLQIEISA-N -1 1 308.338 0.106 20 0 DCADMM COc1nsc(CN[C@H]2CS(=O)(=O)C[C@H]2C)c1C(=O)[O-] ZINC001599742023 991872838 /nfs/dbraw/zinc/87/28/38/991872838.db2.gz SJBGHFJJFORQSM-RQJHMYQMSA-N -1 1 320.392 0.373 20 0 DCADMM CC(C)C[C@@H](NC(=O)CN(CCO)C1CCOCC1)C(=O)[O-] ZINC001591161568 991915869 /nfs/dbraw/zinc/91/58/69/991915869.db2.gz MLJVZVUQRPZQRB-CYBMUJFWSA-N -1 1 316.398 0.075 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cc2c([nH]1)CCC2 ZINC001392527290 992047980 /nfs/dbraw/zinc/04/79/80/992047980.db2.gz ZGXQHHLWVHHQGM-MRVPVSSYSA-N -1 1 304.354 0.235 20 0 DCADMM C[C@@H](NC[C@H](C)NC(=O)c1ncccc1[O-])c1nncn1C ZINC001392551430 992080335 /nfs/dbraw/zinc/08/03/35/992080335.db2.gz CUGLGHJAJINTDL-VHSXEESVSA-N -1 1 304.354 0.385 20 0 DCADMM Cc1ccncc1C(=O)N[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001392646891 992198081 /nfs/dbraw/zinc/19/80/81/992198081.db2.gz MDILQWICLDXIHM-LLVKDONJSA-N -1 1 318.381 0.062 20 0 DCADMM Cc1ccncc1C(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001392646893 992199115 /nfs/dbraw/zinc/19/91/15/992199115.db2.gz MDILQWICLDXIHM-NSHDSACASA-N -1 1 318.381 0.062 20 0 DCADMM CS(=O)(=O)c1ccc(CN[C@@]2(CC(=O)[O-])CCOC2)o1 ZINC001599770000 992232318 /nfs/dbraw/zinc/23/23/18/992232318.db2.gz UXOCUMHRFAWVJT-GFCCVEGCSA-N -1 1 303.336 0.407 20 0 DCADMM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H]1CCCCN1C ZINC001598495324 992350826 /nfs/dbraw/zinc/35/08/26/992350826.db2.gz FHHPXUPJJVLZCW-GFCCVEGCSA-N -1 1 321.381 0.529 20 0 DCADMM Cc1c[nH]cc1C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001392809926 992416344 /nfs/dbraw/zinc/41/63/44/992416344.db2.gz LDYYBPZLKXDEIF-LLVKDONJSA-N -1 1 304.354 0.445 20 0 DCADMM CCC(CC)[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001392836757 992446343 /nfs/dbraw/zinc/44/63/43/992446343.db2.gz JADJYMGBJZZOLV-YPMHNXCESA-N -1 1 323.441 0.871 20 0 DCADMM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)C1CN([C@@H]2CCOC2)C1 ZINC001598515371 992611838 /nfs/dbraw/zinc/61/18/38/992611838.db2.gz ZSZSMDIYJMKIGL-CQSZACIVSA-N -1 1 319.361 0.459 20 0 DCADMM O=C(N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CCCC1)c1ccn[nH]1 ZINC001393073668 992667190 /nfs/dbraw/zinc/66/71/90/992667190.db2.gz DRQAHFSHIQPLMS-LLVKDONJSA-N -1 1 319.369 0.312 20 0 DCADMM Cc1nc(C)c(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])[nH]1 ZINC001393090650 992673441 /nfs/dbraw/zinc/67/34/41/992673441.db2.gz AUWMFQSDILFFOZ-QMMMGPOBSA-N -1 1 317.349 0.675 20 0 DCADMM CC(C)C(=O)NC[C@@]1(C)CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001393190057 992732401 /nfs/dbraw/zinc/73/24/01/992732401.db2.gz XHJDTWGWIXSSIQ-OAHLLOKOSA-N -1 1 309.414 0.483 20 0 DCADMM CO[C@@H](C)CC(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001393272911 992820651 /nfs/dbraw/zinc/82/06/51/992820651.db2.gz VSWIJKGJDSMZTN-WDEREUQCSA-N -1 1 307.350 0.543 20 0 DCADMM CC(C)OCCC(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001393612215 993125830 /nfs/dbraw/zinc/12/58/30/993125830.db2.gz ZFFPCOQSYSZFTF-UHFFFAOYSA-N -1 1 321.377 0.981 20 0 DCADMM Cc1nocc1C(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001393810540 993271753 /nfs/dbraw/zinc/27/17/53/993271753.db2.gz HKRKFRVQHQHABU-UHFFFAOYSA-N -1 1 316.317 0.776 20 0 DCADMM CCc1occc1C(=O)N[C@H](C)[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001393928707 993349393 /nfs/dbraw/zinc/34/93/93/993349393.db2.gz HCMBENBJJLGVCM-RKDXNWHRSA-N -1 1 307.354 0.962 20 0 DCADMM CC(C)n1nccc1C(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001393945508 993365281 /nfs/dbraw/zinc/36/52/81/993365281.db2.gz HMMDIWTXCCSAGO-ZJUUUORDSA-N -1 1 321.385 0.584 20 0 DCADMM COc1ccc(C(=O)N[C@@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)o1 ZINC001393978087 993388224 /nfs/dbraw/zinc/38/82/24/993388224.db2.gz DDDFRCABGIYBPU-SFYZADRCSA-N -1 1 309.326 0.409 20 0 DCADMM C[C@@H](NC(=O)c1coc(C2CC2)n1)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001393996698 993402397 /nfs/dbraw/zinc/40/23/97/993402397.db2.gz SZRKIJXBCRBODI-JGVFFNPUSA-N -1 1 320.353 0.672 20 0 DCADMM CC[C@@H](F)CN(C)[C@@H](C)CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001394088492 993469213 /nfs/dbraw/zinc/46/92/13/993469213.db2.gz JDBTUMZDUHARCL-JGVFFNPUSA-N -1 1 301.322 0.081 20 0 DCADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cn(C)cn1 ZINC001394201345 993539234 /nfs/dbraw/zinc/53/92/34/993539234.db2.gz LDLWAWKVQOIKEN-SNVBAGLBSA-N -1 1 321.385 0.322 20 0 DCADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCOC1 ZINC001399577216 993579618 /nfs/dbraw/zinc/57/96/18/993579618.db2.gz QJCJOHNPDZRSFJ-NWDGAFQWSA-N -1 1 321.377 0.694 20 0 DCADMM CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@@H](C(=O)[O-])C1 ZINC001598603784 993609127 /nfs/dbraw/zinc/60/91/27/993609127.db2.gz LRYKLFWAQPBRDR-JTQLQIEISA-N -1 1 323.324 0.239 20 0 DCADMM CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)[O-])C1 ZINC001598603786 993609542 /nfs/dbraw/zinc/60/95/42/993609542.db2.gz LRYKLFWAQPBRDR-SNVBAGLBSA-N -1 1 323.324 0.239 20 0 DCADMM CN1CCN(C(=O)CN[C@](C)(CC(=O)[O-])c2ccccn2)CC1 ZINC001598606954 993680000 /nfs/dbraw/zinc/68/00/00/993680000.db2.gz DXEXRHGDWUDJER-MRXNPFEDSA-N -1 1 320.393 0.135 20 0 DCADMM CN(C(=O)c1ncccc1[O-])[C@@H](CNCc1cnon1)C1CC1 ZINC001394423515 993696547 /nfs/dbraw/zinc/69/65/47/993696547.db2.gz MENPUXGMKUKKIP-LBPRGKRZSA-N -1 1 317.349 0.811 20 0 DCADMM Cc1ccc(C(=O)N(C)C[C@H](C)NCc2n[nH]c(=O)[n-]2)nc1C ZINC001394510442 993783548 /nfs/dbraw/zinc/78/35/48/993783548.db2.gz SBBRCWPRBTXQEW-JTQLQIEISA-N -1 1 318.381 0.772 20 0 DCADMM CN1CCN(C)CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC001598614303 993849666 /nfs/dbraw/zinc/84/96/66/993849666.db2.gz MYBUBMRHTUFDGM-UHFFFAOYSA-N -1 1 306.366 0.099 20 0 DCADMM CCC[N@H+](CCNC(=O)c1ncccc1[O-])[C@H]1CCCNC1=O ZINC001399957491 993984981 /nfs/dbraw/zinc/98/49/81/993984981.db2.gz PPLQCZYHYUHOKD-LBPRGKRZSA-N -1 1 320.393 0.508 20 0 DCADMM C[C@@H](C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1)C1CCC1 ZINC001400001503 994041351 /nfs/dbraw/zinc/04/13/51/994041351.db2.gz AMXQRNPGLSONEM-LLVKDONJSA-N -1 1 321.425 0.625 20 0 DCADMM COCC1(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C(C)(C)C2)CC1 ZINC001394715101 994048159 /nfs/dbraw/zinc/04/81/59/994048159.db2.gz NSVXYCQPFCIJNO-SNVBAGLBSA-N -1 1 323.397 0.264 20 0 DCADMM C[C@@H](NC(=O)c1csc(C(=O)[O-])n1)[C@@H]1CN(C)CCN1C ZINC001593185152 994094776 /nfs/dbraw/zinc/09/47/76/994094776.db2.gz RVTQDVBNVSIKEY-SCZZXKLOSA-N -1 1 312.395 0.205 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)CCN[C@H](C)c2cnccn2)c1[O-] ZINC001400049600 994104721 /nfs/dbraw/zinc/10/47/21/994104721.db2.gz CXDDWHXVJSLHLX-SECBINFHSA-N -1 1 304.354 0.637 20 0 DCADMM C[C@@H](N[C@@H](C)C(=O)NCC(=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001593198535 994173409 /nfs/dbraw/zinc/17/34/09/994173409.db2.gz SHCCWGCZIGKYPV-SFYZADRCSA-N -1 1 307.306 0.773 20 0 DCADMM C[C@H](N[C@H](C[C@H]1CCCO1)C(=O)[O-])C(=O)NC[C@H]1CCCO1 ZINC001593203240 994184881 /nfs/dbraw/zinc/18/48/81/994184881.db2.gz CKMAQKOYUZTVSI-UMSGYPCISA-N -1 1 314.382 0.282 20 0 DCADMM C[C@@H](N[C@H](C)c1cnn(CC2CCC2)c1)C(=O)NCC(=O)[O-] ZINC001593203907 994193041 /nfs/dbraw/zinc/19/30/41/994193041.db2.gz JMKRHMANDVAPEA-GHMZBOCLSA-N -1 1 308.382 0.923 20 0 DCADMM C[C@H](N[C@H](C[C@H]1CCCO1)C(=O)[O-])c1nc(N)nc(Cl)n1 ZINC001593204440 994201461 /nfs/dbraw/zinc/20/14/61/994201461.db2.gz ROBQRDDUVDRJDS-XLPZGREQSA-N -1 1 315.761 0.780 20 0 DCADMM Cc1[nH]ccc1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001400171075 994229959 /nfs/dbraw/zinc/22/99/59/994229959.db2.gz USVRNXJEAYYBAS-VIFPVBQESA-N -1 1 302.334 0.972 20 0 DCADMM CNC(=O)C[C@H](NCC(=O)NCCC(=O)[O-])c1ccccc1 ZINC001598640438 994310158 /nfs/dbraw/zinc/31/01/58/994310158.db2.gz YETJPHMOACNPSR-LBPRGKRZSA-N -1 1 307.350 0.044 20 0 DCADMM Cc1ncc(C(=O)NC[C@H](C)N(C)C(=O)c2ncccc2[O-])[nH]1 ZINC001395058160 994393709 /nfs/dbraw/zinc/39/37/09/994393709.db2.gz MRTSOEQYSOBHMP-VIFPVBQESA-N -1 1 317.349 0.709 20 0 DCADMM Cc1cnoc1C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001395068917 994405606 /nfs/dbraw/zinc/40/56/06/994405606.db2.gz RFYNVEOPIREWIW-JTQLQIEISA-N -1 1 318.333 0.974 20 0 DCADMM CC(C)C[C@H](C)CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001400411847 994488074 /nfs/dbraw/zinc/48/80/74/994488074.db2.gz ACZBMKFGWVAQFG-NSHDSACASA-N -1 1 309.414 0.481 20 0 DCADMM Cn1[n-]c(CN2CC(CNC(=O)C(C)(C)C3CC3)C2)nc1=O ZINC001400512135 994602458 /nfs/dbraw/zinc/60/24/58/994602458.db2.gz GYDULRTVFDFNIQ-UHFFFAOYSA-N -1 1 307.398 0.093 20 0 DCADMM CNS(=O)(=O)CCN[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001598672435 994780668 /nfs/dbraw/zinc/78/06/68/994780668.db2.gz SAXGAVSSFZQUHB-CYBMUJFWSA-N -1 1 318.370 0.654 20 0 DCADMM C[C@@H](NCc1cn(CC(=O)[O-])nn1)[C@@](C)(O)c1ccccc1 ZINC001593311917 994790097 /nfs/dbraw/zinc/79/00/97/994790097.db2.gz VKJAIUJLISPBFK-IAQYHMDHSA-N -1 1 304.350 0.749 20 0 DCADMM CNS(=O)(=O)c1cccc2c1CCN(CC1(C(=O)[O-])CC1)C2 ZINC001598675778 994841230 /nfs/dbraw/zinc/84/12/30/994841230.db2.gz KPFVJWFZDFQBMW-UHFFFAOYSA-N -1 1 324.402 0.818 20 0 DCADMM CC(C)[C@@H](F)C(=O)N(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001507021841 1015894866 /nfs/dbraw/zinc/89/48/66/1015894866.db2.gz KFOGAGOBVQSUQS-CMPLNLGQSA-N -1 1 313.377 0.831 20 0 DCADMM CNc1cnc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cn1 ZINC001598679775 994907561 /nfs/dbraw/zinc/90/75/61/994907561.db2.gz NPHVERMJSHXNTR-JTQLQIEISA-N -1 1 307.354 0.139 20 0 DCADMM CCC[C@@H](CC)C(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001395720812 994932519 /nfs/dbraw/zinc/93/25/19/994932519.db2.gz VGEJTTGVULDYLS-NEPJUHHUSA-N -1 1 323.393 0.820 20 0 DCADMM CC[C@@H](CNC(=O)[C@H]1OCC[C@H]1CC)NCc1n[nH]c(=O)[n-]1 ZINC001400825451 994984003 /nfs/dbraw/zinc/98/40/03/994984003.db2.gz SESLQJNJQPJHLC-SCVCMEIPSA-N -1 1 311.386 0.310 20 0 DCADMM O=C(N[C@@H](CO)CNC(=O)[C@]12C[C@H]1CCC2)c1ncccc1[O-] ZINC001395775231 994991201 /nfs/dbraw/zinc/99/12/01/994991201.db2.gz YBNBTPSOHABVNF-GLKRBJQHSA-N -1 1 319.361 0.184 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C(=O)OC ZINC001464515836 1015915420 /nfs/dbraw/zinc/91/54/20/1015915420.db2.gz QRYUVDUDFYCBJD-BQBZGAKWSA-N -1 1 313.310 0.214 20 0 DCADMM Cc1cc(C(=O)N[C@](C)(CNCc2n[nH]c(=O)[n-]2)C2CC2)no1 ZINC001400981981 995101366 /nfs/dbraw/zinc/10/13/66/995101366.db2.gz LXHBGRORCPMBJO-CQSZACIVSA-N -1 1 320.353 0.495 20 0 DCADMM COC(=O)[C@H](CF)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001598700338 995211709 /nfs/dbraw/zinc/21/17/09/995211709.db2.gz YPXLLHQPFZZJHY-JTQLQIEISA-N -1 1 319.310 0.315 20 0 DCADMM O=C(Cc1ccccc1N1CCCC1=O)NCc1nn[n-]n1 ZINC001464844903 1015954188 /nfs/dbraw/zinc/95/41/88/1015954188.db2.gz DNANQNQZHUWNNC-UHFFFAOYSA-N -1 1 300.322 0.185 20 0 DCADMM CC1(C)OC(=O)c2ccccc2[C@H]1C(=O)NCc1nn[n-]n1 ZINC001464850429 1015957736 /nfs/dbraw/zinc/95/77/36/1015957736.db2.gz 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ZINC001397417770 995983046 /nfs/dbraw/zinc/98/30/46/995983046.db2.gz YREIHCSDFWGLPZ-NSHDSACASA-N -1 1 321.377 0.838 20 0 DCADMM C[C@H](CN(C)C(=O)C1(C(C)(F)F)CC1)NCc1n[nH]c(=O)[n-]1 ZINC001507125342 1016005591 /nfs/dbraw/zinc/00/55/91/1016005591.db2.gz ZQPLTMLEHPLUCJ-MRVPVSSYSA-N -1 1 317.340 0.882 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)C2(CC)CC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001397746292 996154335 /nfs/dbraw/zinc/15/43/35/996154335.db2.gz AXWMGZRSLZLWAG-NWDGAFQWSA-N -1 1 321.425 0.768 20 0 DCADMM CCC[C@@H](NC(=O)[C@H](OC)C(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001465685068 1016017799 /nfs/dbraw/zinc/01/77/99/1016017799.db2.gz IVGKXHAUWPXMPZ-BDAKNGLRSA-N -1 1 313.358 0.514 20 0 DCADMM COC(=O)[C@H]1CN(CCCS(=O)(=O)C(C)C)C[C@@H]1C(=O)[O-] ZINC001598822211 996341675 /nfs/dbraw/zinc/34/16/75/996341675.db2.gz PMCJOMVKNOGPSN-QWRGUYRKSA-N -1 1 321.395 0.005 20 0 DCADMM C[C@@]1(Br)C[C@@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001593740353 996356644 /nfs/dbraw/zinc/35/66/44/996356644.db2.gz 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COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CC[C@H]1CO ZINC001599381489 996860002 /nfs/dbraw/zinc/86/00/02/996860002.db2.gz XQMKGGNILDNBCN-NWDGAFQWSA-N -1 1 311.334 0.200 20 0 DCADMM CO[C@@]1(C(=O)[O-])CCN([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC001599077092 996898915 /nfs/dbraw/zinc/89/89/15/996898915.db2.gz VDUBDYRSNDUAOM-BBRMVZONSA-N -1 1 304.346 0.967 20 0 DCADMM C[C@H](CNC(=O)COc1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC001399114972 996986455 /nfs/dbraw/zinc/98/64/55/996986455.db2.gz MZNBEUUNQSPAEY-SNVBAGLBSA-N -1 1 305.338 0.184 20 0 DCADMM Cc1nocc1C(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001404490598 997163981 /nfs/dbraw/zinc/16/39/81/997163981.db2.gz WAHSZLDSCBLXPI-VIFPVBQESA-N -1 1 318.333 0.974 20 0 DCADMM COC[C@@H](C)C(=O)N1CC[C@H](CN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001404579674 997253474 /nfs/dbraw/zinc/25/34/74/997253474.db2.gz UIDPUEIYOLRPHQ-GHMZBOCLSA-N -1 1 311.386 0.073 20 0 DCADMM Cc1cc(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])[nH]n1 ZINC001399351932 997258084 /nfs/dbraw/zinc/25/80/84/997258084.db2.gz 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CCNC(=O)CN1CC[C@@H](N(CC)C(=O)c2ncccc2[O-])C1 ZINC001405167553 997880930 /nfs/dbraw/zinc/88/09/30/997880930.db2.gz DGMUSUXJZNUFNF-GFCCVEGCSA-N -1 1 320.393 0.460 20 0 DCADMM CC[C@@H](C)c1ncc(NC(=O)CCn2cc[n-]c(=O)c2=O)cn1 ZINC001467465567 1016170973 /nfs/dbraw/zinc/17/09/73/1016170973.db2.gz SRQGBUKXCZEGET-SNVBAGLBSA-N -1 1 317.349 0.869 20 0 DCADMM COCCN1CC[C@H](NC(=O)C23CCC(C(=O)[O-])(CC2)C3)C1 ZINC001599239427 998009222 /nfs/dbraw/zinc/00/92/22/998009222.db2.gz CHXZNBPVWYTLCE-JQRITLKVSA-N -1 1 310.394 0.858 20 0 DCADMM CC[C@@H](CNC(=O)Cc1ccc(F)cn1)NCc1n[nH]c(=O)[n-]1 ZINC001405252268 998010595 /nfs/dbraw/zinc/01/05/95/998010595.db2.gz DOSKCMZDBBQNRV-JTQLQIEISA-N -1 1 322.344 0.272 20 0 DCADMM CC1=C(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])C(=O)OC1(C)C ZINC001594093897 998059054 /nfs/dbraw/zinc/05/90/54/998059054.db2.gz QPDHPNSYLFQWLV-SECBINFHSA-N -1 1 307.306 0.174 20 0 DCADMM CC[C@@H](CNC(=O)c1[nH]c(C)nc1C)NCc1n[nH]c(=O)[n-]1 ZINC001405297377 998075282 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CCCC1(C(=O)NCCN(Cc2nc(=O)n(C)[n-]2)C2CC2)CC1 ZINC001437810435 1007425309 /nfs/dbraw/zinc/42/53/09/1007425309.db2.gz WLBMGKJINHFZLV-UHFFFAOYSA-N -1 1 321.425 0.769 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)CC(C)(C)C)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001440477717 1007815369 /nfs/dbraw/zinc/81/53/69/1007815369.db2.gz FNMKPCGDWUJWHV-MNOVXSKESA-N -1 1 309.414 0.624 20 0 DCADMM CCc1nn(C)cc1C(=O)NC[C@@H](CC)NCc1n[nH]c(=O)[n-]1 ZINC001438319437 1007815912 /nfs/dbraw/zinc/81/59/12/1007815912.db2.gz RHWVPCMGOKERHO-SECBINFHSA-N -1 1 321.385 0.104 20 0 DCADMM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1csnc1OC ZINC001475256090 1017075737 /nfs/dbraw/zinc/07/57/37/1017075737.db2.gz IYCWTMAHLCDUBD-ZETCQYMHSA-N -1 1 307.397 0.297 20 0 DCADMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCCC1)C1CCOCC1 ZINC001438577167 1008009787 /nfs/dbraw/zinc/00/97/87/1008009787.db2.gz MWKXCDVGZMBETG-UHFFFAOYSA-N -1 1 323.397 0.456 20 0 DCADMM Cn1cccc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001438577938 1008010758 /nfs/dbraw/zinc/01/07/58/1008010758.db2.gz NOBKLIAKKIHNRD-UHFFFAOYSA-N -1 1 318.381 0.681 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)CCc1ccon1 ZINC001440796585 1008031133 /nfs/dbraw/zinc/03/11/33/1008031133.db2.gz DSFINTGDHDCOHY-IUCAKERBSA-N -1 1 308.342 0.114 20 0 DCADMM COc1cccc(C(=O)N[C@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001440847769 1008066413 /nfs/dbraw/zinc/06/64/13/1008066413.db2.gz HOUUBLYEXLEXDW-NXEZZACHSA-N -1 1 319.365 0.816 20 0 DCADMM O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1cnncc1[O-] ZINC001441243017 1008286878 /nfs/dbraw/zinc/28/68/78/1008286878.db2.gz PWJDHCYBSKOTGY-UHFFFAOYSA-N -1 1 313.317 0.371 20 0 DCADMM CCCC(=O)NC[C@@H](O)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001433233914 1008626259 /nfs/dbraw/zinc/62/62/59/1008626259.db2.gz KZABABFVLPEKNX-SNVBAGLBSA-N -1 1 322.365 0.067 20 0 DCADMM CC(C)c1[nH]ccc1C(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001441945950 1008690078 /nfs/dbraw/zinc/69/00/78/1008690078.db2.gz VUKXYBHDAPCRBF-VIFPVBQESA-N -1 1 306.370 0.870 20 0 DCADMM CCn1nc(C)cc1C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC001453781754 1008715997 /nfs/dbraw/zinc/71/59/97/1008715997.db2.gz MNGGZHFGGDENLB-VIFPVBQESA-N -1 1 309.399 0.949 20 0 DCADMM Cn1cnnc1[C@H](CO)NC(=O)c1ncc2ccccc2c1[O-] ZINC001453825542 1008739266 /nfs/dbraw/zinc/73/92/66/1008739266.db2.gz KINGRFJIGCCJIF-NSHDSACASA-N -1 1 313.317 0.532 20 0 DCADMM O=C(CCc1nn[n-]n1)N[C@@H](c1ccncc1)C1(CO)CCC1 ZINC001454040609 1008870064 /nfs/dbraw/zinc/87/00/64/1008870064.db2.gz HBPLXEKHDBHLJT-AWEZNQCLSA-N -1 1 316.365 0.547 20 0 DCADMM CC(=O)[C@@H]1CC(C(=O)N(C)c2nn[n-]n2)=NN1c1ccccc1 ZINC001433524924 1008899001 /nfs/dbraw/zinc/89/90/01/1008899001.db2.gz OCTJJKLVNTXNNA-LBPRGKRZSA-N -1 1 313.321 0.386 20 0 DCADMM CN(C(=O)C(C)(C)NC(=O)Nc1ccccc1)c1nn[n-]n1 ZINC001454164464 1008971982 /nfs/dbraw/zinc/97/19/82/1008971982.db2.gz TUBRVTXJFYQHKV-UHFFFAOYSA-N -1 1 303.326 0.763 20 0 DCADMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C(C)(C)F ZINC001442118548 1008985775 /nfs/dbraw/zinc/98/57/75/1008985775.db2.gz FUIKLMZWUTYHMS-MRVPVSSYSA-N -1 1 301.366 0.879 20 0 DCADMM COC(=O)[C@@H](CO)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001433601837 1008986097 /nfs/dbraw/zinc/98/60/97/1008986097.db2.gz HBXXVFGBOBVSEM-GFCCVEGCSA-N -1 1 305.286 0.515 20 0 DCADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H]1COc2ccccc2C1 ZINC001454191400 1008990027 /nfs/dbraw/zinc/99/00/27/1008990027.db2.gz VZZSBVHSAWMEAC-JTQLQIEISA-N -1 1 301.302 0.755 20 0 DCADMM CCC[C@@H](NC(N)=O)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001454248960 1009021597 /nfs/dbraw/zinc/02/15/97/1009021597.db2.gz AXPXTEIXWGRBQZ-GHMZBOCLSA-N -1 1 317.353 0.242 20 0 DCADMM CC(=O)CCCC(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001433680136 1009065539 /nfs/dbraw/zinc/06/55/39/1009065539.db2.gz YLUDBILTEQOTKP-GFCCVEGCSA-N -1 1 319.361 0.877 20 0 DCADMM C[C@](NC(=O)CCCc1nn[n-]n1)(C(N)=O)c1ccccc1 ZINC001433797243 1009187127 /nfs/dbraw/zinc/18/71/27/1009187127.db2.gz WHGXCQJXGHWTIM-CQSZACIVSA-N -1 1 302.338 0.039 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccc(=O)[nH]1 ZINC001454598029 1009215040 /nfs/dbraw/zinc/21/50/40/1009215040.db2.gz NEJWCYICMNHZEH-VIFPVBQESA-N -1 1 316.317 0.436 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001421921705 1009265296 /nfs/dbraw/zinc/26/52/96/1009265296.db2.gz HKUWTBPAPGWQJM-MPPDQPJWSA-N -1 1 323.397 0.262 20 0 DCADMM COC(=O)[C@](C)(CNC(=O)CCc1nn[n-]n1)c1ccccc1 ZINC001433918646 1009348907 /nfs/dbraw/zinc/34/89/07/1009348907.db2.gz AXUQXUKXPNNUJW-OAHLLOKOSA-N -1 1 317.349 0.379 20 0 DCADMM CCc1ncc(C(=O)N(C)[C@H](C)CNCc2n[nH]c(=O)[n-]2)s1 ZINC001422001961 1009387292 /nfs/dbraw/zinc/38/72/92/1009387292.db2.gz JZWXCDLKFIRVHV-MRVPVSSYSA-N -1 1 324.410 0.780 20 0 DCADMM CSc1ncc(C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)c(=O)[n-]1 ZINC001433995062 1009441339 /nfs/dbraw/zinc/44/13/39/1009441339.db2.gz TVKCPIBNRDVAOI-AOOOYVTPSA-N -1 1 324.406 0.497 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)CN2CCCC2)c1[O-] ZINC001455034124 1009455686 /nfs/dbraw/zinc/45/56/86/1009455686.db2.gz DZPZYJGHLKASNJ-SNVBAGLBSA-N -1 1 323.397 0.144 20 0 DCADMM CCc1cccc(C(=O)NCC[C@@H](C)NC(=O)c2cnn[nH]2)n1 ZINC001455045462 1009461765 /nfs/dbraw/zinc/46/17/65/1009461765.db2.gz JZFJUTXMQUTQDN-SNVBAGLBSA-N -1 1 316.365 0.701 20 0 DCADMM Cn1nc(Br)cc1NC(=O)CCCc1nn[n-]n1 ZINC001434020132 1009466025 /nfs/dbraw/zinc/46/60/25/1009466025.db2.gz JJZFEXOTFGNHDI-UHFFFAOYSA-N -1 1 314.147 0.657 20 0 DCADMM O=C([C@H]1Cc2ccccc2C(=O)O1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001455128396 1009503248 /nfs/dbraw/zinc/50/32/48/1009503248.db2.gz AFCDNAOMANJVBS-CMPLNLGQSA-N -1 1 313.317 0.297 20 0 DCADMM O=C([C@@H]1CNC(=O)c2ccccc21)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001455129118 1009506188 /nfs/dbraw/zinc/50/61/88/1009506188.db2.gz DLCDCSCCZUEPCC-BXKDBHETSA-N -1 1 312.333 0.043 20 0 DCADMM CN(CCNC(=O)c1cscn1)C(=O)c1ncccc1[O-] ZINC001455180953 1009557862 /nfs/dbraw/zinc/55/78/62/1009557862.db2.gz PGMZDMLSJLNTOO-UHFFFAOYSA-N -1 1 306.347 0.746 20 0 DCADMM COc1c(C)cnc(CNC(=O)CCCc2nn[n-]n2)c1C ZINC001442651444 1009581640 /nfs/dbraw/zinc/58/16/40/1009581640.db2.gz CSDQYCVQQCOGHX-UHFFFAOYSA-N -1 1 304.354 0.859 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@H](CO)Cc1ccoc1 ZINC001455238986 1009606843 /nfs/dbraw/zinc/60/68/43/1009606843.db2.gz GSQMNYUNHCVQNX-SNVBAGLBSA-N -1 1 323.374 0.953 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2cnn(C)c2)n[n-]1 ZINC001434173077 1009635403 /nfs/dbraw/zinc/63/54/03/1009635403.db2.gz YJILXYQQBRMLJK-QMMMGPOBSA-N -1 1 306.326 0.135 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2cnn(C)c2)[n-]1 ZINC001434173077 1009635416 /nfs/dbraw/zinc/63/54/16/1009635416.db2.gz YJILXYQQBRMLJK-QMMMGPOBSA-N -1 1 306.326 0.135 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2cnn(C)c2)n1 ZINC001434173077 1009635428 /nfs/dbraw/zinc/63/54/28/1009635428.db2.gz YJILXYQQBRMLJK-QMMMGPOBSA-N -1 1 306.326 0.135 20 0 DCADMM CC(=O)N[C@H](CC1CCC1)C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001455323179 1009659562 /nfs/dbraw/zinc/65/95/62/1009659562.db2.gz QPWFKSPEGABKON-CYBMUJFWSA-N -1 1 322.413 0.879 20 0 DCADMM Cc1c[nH]c(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001442722219 1009665199 /nfs/dbraw/zinc/66/51/99/1009665199.db2.gz PNBOQYPJAVSMSC-SNVBAGLBSA-N -1 1 317.349 0.709 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)c1cc(Cn2cccn2)on1 ZINC001455347743 1009676358 /nfs/dbraw/zinc/67/63/58/1009676358.db2.gz JDGLJOPRWNXYOU-UHFFFAOYSA-N -1 1 314.309 0.242 20 0 DCADMM O=C([O-])[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C(F)(F)F ZINC001574392972 1163711995 /nfs/dbraw/zinc/71/19/95/1163711995.db2.gz NSGGHSXGVKFNQF-IWSPIJDZSA-N -1 1 315.313 0.616 20 0 DCADMM COC(=O)Cc1cccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1 ZINC001434314866 1009754200 /nfs/dbraw/zinc/75/42/00/1009754200.db2.gz PJQLQWLBHZWKSX-GFCCVEGCSA-N -1 1 315.333 0.545 20 0 DCADMM CCOC(=O)[C@H]1CN(C(=O)c2ccc([O-])cn2)CC12COC2 ZINC001455481923 1009763568 /nfs/dbraw/zinc/76/35/68/1009763568.db2.gz JUCXPPPANOAFQR-LLVKDONJSA-N -1 1 306.318 0.439 20 0 DCADMM COC[C@H](NC(=O)Cc1ccc(C)c(OC)c1)c1nn[n-]n1 ZINC001434362821 1009833586 /nfs/dbraw/zinc/83/35/86/1009833586.db2.gz IPAFVKLFQWSFIU-NSHDSACASA-N -1 1 305.338 0.563 20 0 DCADMM Cc1noc(CN[C@H](C)[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001422308589 1009837916 /nfs/dbraw/zinc/83/79/16/1009837916.db2.gz UGUPXAPINKLGHY-BDAKNGLRSA-N -1 1 305.338 0.775 20 0 DCADMM COc1cnc(C(C)(C)NC(=O)CCc2cn(C)nn2)[n-]c1=O ZINC001434381636 1009869043 /nfs/dbraw/zinc/86/90/43/1009869043.db2.gz KPOLAAIWTTZQOS-UHFFFAOYSA-N -1 1 320.353 0.303 20 0 DCADMM CO[C@H](C)CC(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001455710983 1009922387 /nfs/dbraw/zinc/92/23/87/1009922387.db2.gz GERVZYIDBPCUGH-NEPJUHHUSA-N -1 1 321.377 0.933 20 0 DCADMM COC[C@H](NC(=O)C[C@](C)(O)c1ccccc1)c1nn[n-]n1 ZINC001455725609 1009930549 /nfs/dbraw/zinc/93/05/49/1009930549.db2.gz ASFWZMLKKQJGBC-FZMZJTMJSA-N -1 1 305.338 0.301 20 0 DCADMM CCSc1c[nH]c(=O)c(C(=O)N[C@H](COC)c2nn[n-]n2)c1 ZINC001455727589 1009932125 /nfs/dbraw/zinc/93/21/25/1009932125.db2.gz NLCNHMQREWUWMY-SECBINFHSA-N -1 1 324.366 0.530 20 0 DCADMM COC[C@H](NC(=O)c1ccc(N(C)C)cc1F)c1nn[n-]n1 ZINC001455729982 1009935279 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ZINC000738453187 598386156 /nfs/dbraw/zinc/38/61/56/598386156.db2.gz VUJPPCYHMACVBN-JTQLQIEISA-N -1 1 305.342 0.654 20 0 DCADMM c1nc(-c2nnn[n-]2)cnc1NCCCOC[C@@H]1CCCO1 ZINC000738453187 598386154 /nfs/dbraw/zinc/38/61/54/598386154.db2.gz VUJPPCYHMACVBN-JTQLQIEISA-N -1 1 305.342 0.654 20 0 DCADMM c1cnc(N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nc1 ZINC000738445619 598388024 /nfs/dbraw/zinc/38/80/24/598388024.db2.gz KOMZTIZZDXOFRM-JTQLQIEISA-N -1 1 324.352 0.528 20 0 DCADMM c1cnc(N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nc1 ZINC000738445619 598388025 /nfs/dbraw/zinc/38/80/25/598388025.db2.gz KOMZTIZZDXOFRM-JTQLQIEISA-N -1 1 324.352 0.528 20 0 DCADMM CCc1nn(Cc2cc(C)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705810 598641966 /nfs/dbraw/zinc/64/19/66/598641966.db2.gz BCTUDINAQCOHHN-UHFFFAOYSA-N -1 1 315.337 0.893 20 0 DCADMM Cc1c[nH]ccc1=NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737444127 598786187 /nfs/dbraw/zinc/78/61/87/598786187.db2.gz MHKRCLDKJKYFDI-UHFFFAOYSA-N -1 1 317.334 0.188 20 0 DCADMM Cc1c[nH]ccc1=NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737444127 598786189 /nfs/dbraw/zinc/78/61/89/598786189.db2.gz MHKRCLDKJKYFDI-UHFFFAOYSA-N -1 1 317.334 0.188 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cc(F)ccc1F ZINC000822904328 599317462 /nfs/dbraw/zinc/31/74/62/599317462.db2.gz VXQAWFCAEVDZCC-UHFFFAOYSA-N -1 1 305.248 0.807 20 0 DCADMM Cc1ccc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)nn1 ZINC000737362505 599361861 /nfs/dbraw/zinc/36/18/61/599361861.db2.gz RNGMCMQTEIEFKH-UHFFFAOYSA-N -1 1 300.330 0.315 20 0 DCADMM Cc1ccc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nn1 ZINC000737362505 599361862 /nfs/dbraw/zinc/36/18/62/599361862.db2.gz RNGMCMQTEIEFKH-UHFFFAOYSA-N -1 1 300.330 0.315 20 0 DCADMM CCOC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736599893 599393887 /nfs/dbraw/zinc/39/38/87/599393887.db2.gz FZQKEYDREBEOGX-UHFFFAOYSA-N -1 1 303.326 0.540 20 0 DCADMM CCOC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736599893 599393889 /nfs/dbraw/zinc/39/38/89/599393889.db2.gz FZQKEYDREBEOGX-UHFFFAOYSA-N -1 1 303.326 0.540 20 0 DCADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C3OCCO3)C2)c1 ZINC000738412690 599425988 /nfs/dbraw/zinc/42/59/88/599425988.db2.gz LFAPUVFCJPLVFE-JTQLQIEISA-N -1 1 302.338 0.851 20 0 DCADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C3OCCO3)C2)c1 ZINC000738412690 599425990 /nfs/dbraw/zinc/42/59/90/599425990.db2.gz LFAPUVFCJPLVFE-JTQLQIEISA-N -1 1 302.338 0.851 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@H](C(F)(F)F)O1 ZINC000820777554 599688121 /nfs/dbraw/zinc/68/81/21/599688121.db2.gz SEEHQKWZCHHOGY-BQBZGAKWSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@H](C(F)(F)F)O1 ZINC000820777554 599688122 /nfs/dbraw/zinc/68/81/22/599688122.db2.gz SEEHQKWZCHHOGY-BQBZGAKWSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCNC(=O)[O-])C[C@H](C)O1 ZINC000736810011 599750987 /nfs/dbraw/zinc/75/09/87/599750987.db2.gz MWWJIWKSRWPBMK-XQQFMLRXSA-N -1 1 313.398 0.744 20 0 DCADMM C[C@H](CN(C)Cc1ccc(S(=O)(=O)N(C)C)o1)C(=O)[O-] ZINC000736576517 599752885 /nfs/dbraw/zinc/75/28/85/599752885.db2.gz ANRZRNZIBRSJCM-SECBINFHSA-N -1 1 304.368 0.682 20 0 DCADMM COCCS(=O)(=O)CCCN1CCCC[C@@H]1CC(=O)[O-] ZINC000737825333 599770621 /nfs/dbraw/zinc/77/06/21/599770621.db2.gz ISTVRUHMMNJMAF-GFCCVEGCSA-N -1 1 307.412 0.767 20 0 DCADMM COc1cccc(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000314749658 599777071 /nfs/dbraw/zinc/77/70/71/599777071.db2.gz MJTNFOADWBTTKB-ZDUSSCGKSA-N -1 1 303.318 0.773 20 0 DCADMM Cc1cc(CN2CCN(CCC(=O)N(C)CC(=O)[O-])CC2)no1 ZINC000738385003 600158148 /nfs/dbraw/zinc/15/81/48/600158148.db2.gz KMJRMBGNQZKRSO-UHFFFAOYSA-N -1 1 324.381 0.034 20 0 DCADMM CCS(=O)(=O)NCCN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000737223017 600209031 /nfs/dbraw/zinc/20/90/31/600209031.db2.gz RLYBEYXZEVTTSO-LBPRGKRZSA-N -1 1 300.380 0.683 20 0 DCADMM O=C([O-])[C@@H]1C[C@@H](O)CN1C[C@H](O)COCc1cccs1 ZINC000740056742 600230763 /nfs/dbraw/zinc/23/07/63/600230763.db2.gz KAJFQESRLQXWKD-SCVCMEIPSA-N -1 1 301.364 0.145 20 0 DCADMM O=C([O-])[C@@H]1C[C@@H](O)CN1C[C@H](O)COCc1ccccc1F ZINC000740057314 600231512 /nfs/dbraw/zinc/23/15/12/600231512.db2.gz VVBLFABVWRMDAN-DYEKYZERSA-N -1 1 313.325 0.223 20 0 DCADMM CCC[C@](C)(NCC(=O)N1CCC[C@H](NC(C)=O)C1)C(=O)[O-] ZINC000736961428 600321380 /nfs/dbraw/zinc/32/13/80/600321380.db2.gz SAXWNILQUKBWIZ-WFASDCNBSA-N -1 1 313.398 0.347 20 0 DCADMM CN1CCN(C)[C@H](CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC000405323716 600353380 /nfs/dbraw/zinc/35/33/80/600353380.db2.gz RQIQVEBWERTHJG-OLZOCXBDSA-N -1 1 324.425 0.129 20 0 DCADMM CN1CCN(C)[C@H](CNC(=O)NCCCCCCC(=O)[O-])C1 ZINC000315760110 600410124 /nfs/dbraw/zinc/41/01/24/600410124.db2.gz YMFGFQKIRPFTPL-CYBMUJFWSA-N -1 1 314.430 0.567 20 0 DCADMM C[C@H](CNC(=O)c1ccc(C(=O)[O-])cn1)N1CCN(C)CC1 ZINC000736600554 600419619 /nfs/dbraw/zinc/41/96/19/600419619.db2.gz OMUBPDAJDOUDQK-LLVKDONJSA-N -1 1 306.366 0.146 20 0 DCADMM O=C([O-])CCNC(=O)CN(CCO)[C@@H]1CCCc2ccccc21 ZINC000739735477 600444279 /nfs/dbraw/zinc/44/42/79/600444279.db2.gz XDXSNSLSGWGKIX-OAHLLOKOSA-N -1 1 320.389 0.949 20 0 DCADMM CCCCCCN(C)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000736983139 600483721 /nfs/dbraw/zinc/48/37/21/600483721.db2.gz IUFXNWSQSSVDFJ-LBPRGKRZSA-N -1 1 313.398 0.300 20 0 DCADMM COC[C@]1(C)NC(=O)N(CN(CCC(=O)[O-])C(C)C)C1=O ZINC000737751480 600637021 /nfs/dbraw/zinc/63/70/21/600637021.db2.gz FVTPJYKEZPQAOB-ZDUSSCGKSA-N -1 1 301.343 0.086 20 0 DCADMM Cc1cc(N2CCN(C[C@@](C)(O)C(=O)[O-])CC2)nc(C(C)C)n1 ZINC000738404930 600761704 /nfs/dbraw/zinc/76/17/04/600761704.db2.gz CGPLCHOTGTUAPO-MRXNPFEDSA-N -1 1 322.409 0.866 20 0 DCADMM CCN(CC(=O)Nc1cccc(OC)c1)C[C@@](C)(O)C(=O)[O-] ZINC000737069289 600762004 /nfs/dbraw/zinc/76/20/04/600762004.db2.gz FYLPQDYLXLPKIF-OAHLLOKOSA-N -1 1 310.350 0.791 20 0 DCADMM Cn1ccc(N2CCC[C@H](N3CCC[C@@H](C(=O)[O-])C3)C2=O)n1 ZINC000833056419 600824320 /nfs/dbraw/zinc/82/43/20/600824320.db2.gz ZBFDNJITMIPVKI-NEPJUHHUSA-N -1 1 306.366 0.712 20 0 DCADMM C[C@@H](c1cccnc1)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000736723179 600955615 /nfs/dbraw/zinc/95/56/15/600955615.db2.gz BMDKYOMANIBJCV-ZDUSSCGKSA-N -1 1 320.393 0.351 20 0 DCADMM C[C@@](NCC(=O)NCc1ccc2c(c1)OCO2)(C(=O)[O-])C1CC1 ZINC000827728947 601036801 /nfs/dbraw/zinc/03/68/01/601036801.db2.gz VUMFVTUTLXQNHN-INIZCTEOSA-N -1 1 320.345 0.874 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)Cc1nnc[nH]1 ZINC000832915171 601040883 /nfs/dbraw/zinc/04/08/83/601040883.db2.gz HUXPFFFQAJZULW-UHFFFAOYSA-N -1 1 303.322 0.882 20 0 DCADMM CN1C(=O)N[C@]2(CCN([C@@H](C(=O)[O-])c3ccccc3F)C2)C1=O ZINC000737505170 601101875 /nfs/dbraw/zinc/10/18/75/601101875.db2.gz HDQPVQGLOYEQIH-ABAIWWIYSA-N -1 1 321.308 0.578 20 0 DCADMM CC(=O)N[C@H](C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)C(C)C ZINC000825853656 601107116 /nfs/dbraw/zinc/10/71/16/601107116.db2.gz DMNYGTBWSAVHIV-FZMZJTMJSA-N -1 1 313.398 0.155 20 0 DCADMM COc1ccc([C@H](NC(=O)CCc2nc[nH]n2)C(=O)[O-])cc1 ZINC000832244593 601137131 /nfs/dbraw/zinc/13/71/31/601137131.db2.gz FIYLZXKJWRBKOB-ZDUSSCGKSA-N -1 1 304.306 0.688 20 0 DCADMM CN1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000013198122 601208562 /nfs/dbraw/zinc/20/85/62/601208562.db2.gz ILWHVWDDZIGTNA-UHFFFAOYSA-N -1 1 316.354 0.896 20 0 DCADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCCC(=O)[O-] ZINC000818385886 601314271 /nfs/dbraw/zinc/31/42/71/601314271.db2.gz WTDDSIVUUNCALA-UHFFFAOYSA-N -1 1 308.338 0.443 20 0 DCADMM O=C([O-])c1cccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)n1 ZINC000833327604 601331326 /nfs/dbraw/zinc/33/13/26/601331326.db2.gz POPKOVYQAOBSOL-LBPRGKRZSA-N -1 1 319.361 0.574 20 0 DCADMM CCN(Cc1ccnc(-c2nn[n-]n2)c1)[C@@H](C)CS(C)(=O)=O ZINC000825439560 607501380 /nfs/dbraw/zinc/50/13/80/607501380.db2.gz FOJOIRWACLZTGC-JTQLQIEISA-N -1 1 324.410 0.517 20 0 DCADMM CNC(=O)[C@@H](C)CN(C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000830974631 601379478 /nfs/dbraw/zinc/37/94/78/601379478.db2.gz CLVYTJPIAXTCNH-JTQLQIEISA-N -1 1 307.350 0.637 20 0 DCADMM C[C@H]1CN(CN2C(=O)C(=O)N(C3CCCC3)C2=O)C[C@H]1C(=O)[O-] ZINC000828449689 601816884 /nfs/dbraw/zinc/81/68/84/601816884.db2.gz MUDGVFNWHZMTDK-GXSJLCMTSA-N -1 1 323.349 0.330 20 0 DCADMM C[C@@H]1CN(CN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828449421 601817044 /nfs/dbraw/zinc/81/70/44/601817044.db2.gz LCVNDRWIWBGNRB-MNOVXSKESA-N -1 1 309.366 0.851 20 0 DCADMM C[C@]1(C(=O)[O-])CCN(CC(=O)NCC(=O)c2ccccc2)C1 ZINC000828020845 601943990 /nfs/dbraw/zinc/94/39/90/601943990.db2.gz YBDWWSDRTMKASN-INIZCTEOSA-N -1 1 304.346 0.782 20 0 DCADMM O=C([O-])COc1ccc(NC(=O)NCCc2nc[nH]n2)cc1 ZINC000315922182 601946644 /nfs/dbraw/zinc/94/66/44/601946644.db2.gz RDYCKUMIVBBMKV-UHFFFAOYSA-N -1 1 305.294 0.632 20 0 DCADMM CC[C@H](CO)N1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000828890587 602377493 /nfs/dbraw/zinc/37/74/93/602377493.db2.gz JQRRVYHCBMCZHF-GFCCVEGCSA-N -1 1 324.381 0.644 20 0 DCADMM O=C([O-])NCCCC(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000739965899 602673802 /nfs/dbraw/zinc/67/38/02/602673802.db2.gz YFBHGHQWJHYTCD-NSHDSACASA-N -1 1 304.310 0.453 20 0 DCADMM O=C([O-])NCCCC(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000739965896 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CCCNC(=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825328043 608407850 /nfs/dbraw/zinc/40/78/50/608407850.db2.gz OLDVYISGWPWDDN-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCCNC(=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825328043 608407852 /nfs/dbraw/zinc/40/78/52/608407852.db2.gz OLDVYISGWPWDDN-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826390984 608410578 /nfs/dbraw/zinc/41/05/78/608410578.db2.gz SOVPYKPGCQTKFC-VIFPVBQESA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826390984 608410579 /nfs/dbraw/zinc/41/05/79/608410579.db2.gz SOVPYKPGCQTKFC-VIFPVBQESA-N -1 1 302.342 0.139 20 0 DCADMM OC[C@@H](Cc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826507909 608441033 /nfs/dbraw/zinc/44/10/33/608441033.db2.gz YJRFYKBQRMZBOG-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@@H](Cc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826507909 608441035 /nfs/dbraw/zinc/44/10/35/608441035.db2.gz 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321.425 0.625 20 0 DCADMM COCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000959006700 688024929 /nfs/dbraw/zinc/02/49/29/688024929.db2.gz GQXBCSPCKPJOBL-QWRGUYRKSA-N -1 1 307.350 0.400 20 0 DCADMM C[C@H]1CN(C(=O)C(F)F)C[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000959305309 688107855 /nfs/dbraw/zinc/10/78/55/688107855.db2.gz HIQJNMDBRMHRJK-IUCAKERBSA-N -1 1 313.304 0.877 20 0 DCADMM O=C(c1cccnc1)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000959841122 688233133 /nfs/dbraw/zinc/23/31/33/688233133.db2.gz FHNCAFVCDFUZJX-LBPRGKRZSA-N -1 1 316.365 0.690 20 0 DCADMM O=C(c1ccoc1)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000959875225 688246718 /nfs/dbraw/zinc/24/67/18/688246718.db2.gz BZIDFNVBRCWCIB-NSHDSACASA-N -1 1 305.338 0.888 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CCCN1C(=O)CC1(C)CC1 ZINC000960750289 688449723 /nfs/dbraw/zinc/44/97/23/688449723.db2.gz XSGLEGPGMPUGRS-GFCCVEGCSA-N -1 1 321.425 0.721 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@H]2CC23CCCC3)nc1=O ZINC001038886397 694230666 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CCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001576427696 1164339677 /nfs/dbraw/zinc/33/96/77/1164339677.db2.gz MVYBTMIYXIYUMO-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001576475431 1164358014 /nfs/dbraw/zinc/35/80/14/1164358014.db2.gz CSJXJCMIWRYFQT-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CC[C@@H](C)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576562155 1164390253 /nfs/dbraw/zinc/39/02/53/1164390253.db2.gz LXSNXECTZHGKCV-ZJUUUORDSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576562155 1164390259 /nfs/dbraw/zinc/39/02/59/1164390259.db2.gz LXSNXECTZHGKCV-ZJUUUORDSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)NCCN(CC)c1cnc(-c2nnn[n-]2)cn1 ZINC001576585899 1164404414 /nfs/dbraw/zinc/40/44/14/1164404414.db2.gz UPFRJUDHEKCJEC-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)C(=O)NCCN(CC)c1cnc(-c2nn[n-]n2)cn1 ZINC001576585899 1164404418 /nfs/dbraw/zinc/40/44/18/1164404418.db2.gz UPFRJUDHEKCJEC-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](CC)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576778650 1164461909 /nfs/dbraw/zinc/46/19/09/1164461909.db2.gz VYKOGNLWVPRZPD-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](CC)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576778650 1164461911 /nfs/dbraw/zinc/46/19/11/1164461911.db2.gz VYKOGNLWVPRZPD-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](CNC(=O)C1(C)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576780403 1164462078 /nfs/dbraw/zinc/46/20/78/1164462078.db2.gz XIHZGYWHLKGGBZ-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)C1(C)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576780403 1164462083 /nfs/dbraw/zinc/46/20/83/1164462083.db2.gz XIHZGYWHLKGGBZ-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576926648 1164536568 /nfs/dbraw/zinc/53/65/68/1164536568.db2.gz SOKVMDYICMLIEP-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576926648 1164536574 /nfs/dbraw/zinc/53/65/74/1164536574.db2.gz SOKVMDYICMLIEP-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576954903 1164555973 /nfs/dbraw/zinc/55/59/73/1164555973.db2.gz WDOJGZGWDOFLHG-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576954903 1164555984 /nfs/dbraw/zinc/55/59/84/1164555984.db2.gz WDOJGZGWDOFLHG-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576956256 1164556901 /nfs/dbraw/zinc/55/69/01/1164556901.db2.gz LRPHGLVRJYWBAN-DTWKUNHWSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576956256 1164556909 /nfs/dbraw/zinc/55/69/09/1164556909.db2.gz LRPHGLVRJYWBAN-DTWKUNHWSA-N -1 1 322.348 0.630 20 0 DCADMM CCC1(C(=O)N[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001577105368 1164603935 /nfs/dbraw/zinc/60/39/35/1164603935.db2.gz UASNRYMWDGBVPC-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)N[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001577105368 1164603942 /nfs/dbraw/zinc/60/39/42/1164603942.db2.gz UASNRYMWDGBVPC-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC/C=C(\C)C(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001577181679 1164626244 /nfs/dbraw/zinc/62/62/44/1164626244.db2.gz JEXRZZAWRSEKDW-BJMVGYQFSA-N -1 1 316.369 0.353 20 0 DCADMM CCCC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001577187986 1164626613 /nfs/dbraw/zinc/62/66/13/1164626613.db2.gz OSMJFVIKMWJIOV-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001577187986 1164626615 /nfs/dbraw/zinc/62/66/15/1164626615.db2.gz OSMJFVIKMWJIOV-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001577186981 1164627079 /nfs/dbraw/zinc/62/70/79/1164627079.db2.gz BIHHGCOHNPJFJB-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001577186981 1164627087 /nfs/dbraw/zinc/62/70/87/1164627087.db2.gz BIHHGCOHNPJFJB-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)NCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001577213342 1164636658 /nfs/dbraw/zinc/63/66/58/1164636658.db2.gz AEVWOAWRLZIGPQ-UHFFFAOYSA-N -1 1 316.369 0.826 20 0 DCADMM CCCC(=O)NCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001577213342 1164636660 /nfs/dbraw/zinc/63/66/60/1164636660.db2.gz AEVWOAWRLZIGPQ-UHFFFAOYSA-N -1 1 316.369 0.826 20 0 DCADMM CCCC(=O)NC[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001577213938 1164636749 /nfs/dbraw/zinc/63/67/49/1164636749.db2.gz SXIHZMRQTDSUJH-VIFPVBQESA-N -1 1 304.358 0.621 20 0 DCADMM CCCC(=O)NC[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001577213938 1164636751 /nfs/dbraw/zinc/63/67/51/1164636751.db2.gz SXIHZMRQTDSUJH-VIFPVBQESA-N -1 1 304.358 0.621 20 0 DCADMM CCCC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001577216172 1164638619 /nfs/dbraw/zinc/63/86/19/1164638619.db2.gz OYAOPITYUSEGSP-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001577216172 1164638625 /nfs/dbraw/zinc/63/86/25/1164638625.db2.gz OYAOPITYUSEGSP-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N[C@@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001577221533 1164641750 /nfs/dbraw/zinc/64/17/50/1164641750.db2.gz VFSGUXJPKRECSN-VIFPVBQESA-N -1 1 318.385 0.936 20 0 DCADMM CCCC(=O)N[C@@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001577221533 1164641761 /nfs/dbraw/zinc/64/17/61/1164641761.db2.gz VFSGUXJPKRECSN-VIFPVBQESA-N -1 1 318.385 0.936 20 0 DCADMM CCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577225008 1164642333 /nfs/dbraw/zinc/64/23/33/1164642333.db2.gz GOZMVXMBJTUDLZ-KYZUINATSA-N -1 1 302.342 0.516 20 0 DCADMM CCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577225008 1164642336 /nfs/dbraw/zinc/64/23/36/1164642336.db2.gz GOZMVXMBJTUDLZ-KYZUINATSA-N -1 1 302.342 0.516 20 0 DCADMM CCCCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001577408034 1164686700 /nfs/dbraw/zinc/68/67/00/1164686700.db2.gz IKPLWMYDHMAYAA-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001577408034 1164686703 /nfs/dbraw/zinc/68/67/03/1164686703.db2.gz IKPLWMYDHMAYAA-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577407810 1164686717 /nfs/dbraw/zinc/68/67/17/1164686717.db2.gz BRRSRDUKAFCNFC-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577407810 1164686719 /nfs/dbraw/zinc/68/67/19/1164686719.db2.gz BRRSRDUKAFCNFC-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577426028 1164690452 /nfs/dbraw/zinc/69/04/52/1164690452.db2.gz FSEHGFAKIXTTHQ-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577426028 1164690458 /nfs/dbraw/zinc/69/04/58/1164690458.db2.gz FSEHGFAKIXTTHQ-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCN(C(C)=O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577547779 1164722757 /nfs/dbraw/zinc/72/27/57/1164722757.db2.gz SHGVBEZWCZNZMS-LLVKDONJSA-N -1 1 316.369 0.494 20 0 DCADMM CCCN(C(C)=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577547779 1164722764 /nfs/dbraw/zinc/72/27/64/1164722764.db2.gz SHGVBEZWCZNZMS-LLVKDONJSA-N -1 1 316.369 0.494 20 0 DCADMM CCN(CCNC(=O)C(C)(C)F)c1ccnc(-c2nn[n-]n2)n1 ZINC001577923977 1164844241 /nfs/dbraw/zinc/84/42/41/1164844241.db2.gz PZTYOVQFDODYAV-UHFFFAOYSA-N -1 1 322.348 0.347 20 0 DCADMM CCN(CCNC(=O)CC(C)C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577954711 1164860501 /nfs/dbraw/zinc/86/05/01/1164860501.db2.gz ONXUAQUWJOSTFF-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCNC(=O)CC1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001577958506 1164862624 /nfs/dbraw/zinc/86/26/24/1164862624.db2.gz RYZGAOWQBRHYOI-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)CC1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001577958506 1164862632 /nfs/dbraw/zinc/86/26/32/1164862632.db2.gz RYZGAOWQBRHYOI-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(c1cnc(-c2nnn[n-]2)cn1)[C@H](C)CNC(=O)C(C)C ZINC001578197157 1164948723 /nfs/dbraw/zinc/94/87/23/1164948723.db2.gz JXBBFWIOXAXIGT-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CCN(c1cnc(-c2nn[n-]n2)cn1)[C@H](C)CNC(=O)C(C)C ZINC001578197157 1164948725 /nfs/dbraw/zinc/94/87/25/1164948725.db2.gz JXBBFWIOXAXIGT-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CCOCCCC(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001578451231 1165021921 /nfs/dbraw/zinc/02/19/21/1165021921.db2.gz KBBGLKJMQUOCCP-HAQNSBGRSA-N -1 1 321.377 0.981 20 0 DCADMM CCc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C)nn1 ZINC001578512717 1165036697 /nfs/dbraw/zinc/03/66/97/1165036697.db2.gz QVMZHFOJGQBTOB-UHFFFAOYSA-N -1 1 324.348 0.853 20 0 DCADMM CCc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C)nn1 ZINC001578512717 1165036703 /nfs/dbraw/zinc/03/67/03/1165036703.db2.gz QVMZHFOJGQBTOB-UHFFFAOYSA-N -1 1 324.348 0.853 20 0 DCADMM CCc1nc(N[C@H]2CC[C@@H](O)[C@@H](O)CC2)cc(-c2nnn[n-]2)n1 ZINC001578644044 1165074872 /nfs/dbraw/zinc/07/48/72/1165074872.db2.gz COJLNOWADGBUHZ-GUDFOSOFSA-N -1 1 319.369 0.295 20 0 DCADMM CCc1nc(N[C@H]2CC[C@@H](O)[C@@H](O)CC2)cc(-c2nn[n-]n2)n1 ZINC001578644044 1165074877 /nfs/dbraw/zinc/07/48/77/1165074877.db2.gz COJLNOWADGBUHZ-GUDFOSOFSA-N -1 1 319.369 0.295 20 0 DCADMM CCc1nc(NCc2cc(=O)[nH]c(=O)[nH]2)cc(-c2nnn[n-]2)n1 ZINC001578669332 1165084586 /nfs/dbraw/zinc/08/45/86/1165084586.db2.gz IQEHTKPBZMGWJB-UHFFFAOYSA-N -1 1 315.297 0.032 20 0 DCADMM CCc1nc(NCc2cc(=O)[nH]c(=O)[nH]2)cc(-c2nn[n-]n2)n1 ZINC001578669332 1165084594 /nfs/dbraw/zinc/08/45/94/1165084594.db2.gz IQEHTKPBZMGWJB-UHFFFAOYSA-N -1 1 315.297 0.032 20 0 DCADMM CCn1nc(C)c(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)n1 ZINC001578805112 1165121707 /nfs/dbraw/zinc/12/17/07/1165121707.db2.gz BSGYTNJFUQLMSD-UHFFFAOYSA-N -1 1 302.302 0.070 20 0 DCADMM CN(CCN(C)c1nccnc1-c1nnn[n-]1)C(=O)C(C)(C)F ZINC001579158219 1165227438 /nfs/dbraw/zinc/22/74/38/1165227438.db2.gz LWZSQBWIGDYBGQ-UHFFFAOYSA-N -1 1 322.348 0.299 20 0 DCADMM CN(CCN(C)c1nccnc1-c1nn[n-]n1)C(=O)C(C)(C)F ZINC001579158219 1165227443 /nfs/dbraw/zinc/22/74/43/1165227443.db2.gz LWZSQBWIGDYBGQ-UHFFFAOYSA-N -1 1 322.348 0.299 20 0 DCADMM CN(CCNC(=O)C1=CCCC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001579166435 1165228904 /nfs/dbraw/zinc/22/89/04/1165228904.db2.gz DDSMKAOHXZRXHU-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CN(CCNC(=O)C1=CCCC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001579166435 1165228911 /nfs/dbraw/zinc/22/89/11/1165228911.db2.gz DDSMKAOHXZRXHU-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CN(Cc1nccs1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001579265703 1165256805 /nfs/dbraw/zinc/25/68/05/1165256805.db2.gz NSUGGCFKOUWEBU-UHFFFAOYSA-N -1 1 315.362 0.919 20 0 DCADMM CN(Cc1nccs1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001579265703 1165256812 /nfs/dbraw/zinc/25/68/12/1165256812.db2.gz NSUGGCFKOUWEBU-UHFFFAOYSA-N -1 1 315.362 0.919 20 0 DCADMM CN1c2ccccc2C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1=O ZINC001579297931 1165263835 /nfs/dbraw/zinc/26/38/35/1165263835.db2.gz AEQFXDJKWCGPQM-SNVBAGLBSA-N -1 1 322.332 0.656 20 0 DCADMM CN1c2ccccc2C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1=O ZINC001579297931 1165263841 /nfs/dbraw/zinc/26/38/41/1165263841.db2.gz AEQFXDJKWCGPQM-SNVBAGLBSA-N -1 1 322.332 0.656 20 0 DCADMM CN1C(=O)Cc2cc(CNc3ccnc(-c4nnn[n-]4)c3)ccc21 ZINC001579308264 1165266832 /nfs/dbraw/zinc/26/68/32/1165266832.db2.gz JMLXTRUAENLIDT-UHFFFAOYSA-N -1 1 321.344 0.815 20 0 DCADMM CN1C(=O)Cc2cc(CNc3ccnc(-c4nn[n-]n4)c3)ccc21 ZINC001579308264 1165266838 /nfs/dbraw/zinc/26/68/38/1165266838.db2.gz JMLXTRUAENLIDT-UHFFFAOYSA-N -1 1 321.344 0.815 20 0 DCADMM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001579442875 1165309933 /nfs/dbraw/zinc/30/99/33/1165309933.db2.gz MOTDYSFSTFVIQN-SFYZADRCSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001579442875 1165309941 /nfs/dbraw/zinc/30/99/41/1165309941.db2.gz MOTDYSFSTFVIQN-SFYZADRCSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)C[C@H](C)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001579445098 1165311400 /nfs/dbraw/zinc/31/14/00/1165311400.db2.gz CFZTXAUYQQZAGZ-ZETCQYMHSA-N -1 1 320.309 0.408 20 0 DCADMM COC(=O)c1cc(=O)n(Cc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001579477297 1165324207 /nfs/dbraw/zinc/32/42/07/1165324207.db2.gz JPWQVLVLGGVFTK-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM COC(=O)c1ccc(N2CC[C@@]3(O)C[C@H]3C2)c(-c2nnn[n-]2)n1 ZINC001579482656 1165325694 /nfs/dbraw/zinc/32/56/94/1165325694.db2.gz MRMNQBYUXVPUHK-RMLUDKJBSA-N -1 1 316.321 0.009 20 0 DCADMM COC(=O)c1ccc(N2CC[C@@]3(O)C[C@H]3C2)c(-c2nn[n-]n2)n1 ZINC001579482656 1165325699 /nfs/dbraw/zinc/32/56/99/1165325699.db2.gz MRMNQBYUXVPUHK-RMLUDKJBSA-N -1 1 316.321 0.009 20 0 DCADMM COC(=O)c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)n(C)n1 ZINC001579483852 1165327770 /nfs/dbraw/zinc/32/77/70/1165327770.db2.gz LSGHQUSPNACVSE-UHFFFAOYSA-N -1 1 317.265 0.232 20 0 DCADMM COC(=O)c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)n(C)n1 ZINC001579483852 1165327771 /nfs/dbraw/zinc/32/77/71/1165327771.db2.gz LSGHQUSPNACVSE-UHFFFAOYSA-N -1 1 317.265 0.232 20 0 DCADMM CO[C@H]1CCCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001579616310 1165360185 /nfs/dbraw/zinc/36/01/85/1165360185.db2.gz FDMLTGRFKUSIES-VIFPVBQESA-N -1 1 318.337 0.527 20 0 DCADMM COC[C@H]1CCCCN1C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001579747995 1165387992 /nfs/dbraw/zinc/38/79/92/1165387992.db2.gz RPIXFMBSYSBURQ-VHSXEESVSA-N -1 1 320.357 0.047 20 0 DCADMM COCC[C@H](C)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001579775671 1165392900 /nfs/dbraw/zinc/39/29/00/1165392900.db2.gz FOCVMJBNXUBNIY-QMMMGPOBSA-N -1 1 320.353 0.678 20 0 DCADMM COc1ccnc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001580091244 1165500550 /nfs/dbraw/zinc/50/05/50/1165500550.db2.gz FGPRSLLMFKSTOZ-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1ccnc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001580091244 1165500551 /nfs/dbraw/zinc/50/05/51/1165500551.db2.gz FGPRSLLMFKSTOZ-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CC1(F)F ZINC001580286125 1165557721 /nfs/dbraw/zinc/55/77/21/1165557721.db2.gz XRHOHFXLCBZOPF-NKWVEPMBSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CC1(F)F ZINC001580286125 1165557728 /nfs/dbraw/zinc/55/77/28/1165557728.db2.gz XRHOHFXLCBZOPF-NKWVEPMBSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CC1(C)C ZINC001580293749 1165560879 /nfs/dbraw/zinc/56/08/79/1165560879.db2.gz LEAZFNJYDSQANI-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC1(C)C ZINC001580293749 1165560887 /nfs/dbraw/zinc/56/08/87/1165560887.db2.gz LEAZFNJYDSQANI-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCC1CC1 ZINC001580294415 1165560949 /nfs/dbraw/zinc/56/09/49/1165560949.db2.gz SGDWEJHACUBFHB-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCC1CC1 ZINC001580294415 1165560953 /nfs/dbraw/zinc/56/09/53/1165560953.db2.gz SGDWEJHACUBFHB-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccoc1 ZINC001580416060 1165598560 /nfs/dbraw/zinc/59/85/60/1165598560.db2.gz NRRXYFAHYLDNDM-MRVPVSSYSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccoc1 ZINC001580416060 1165598566 /nfs/dbraw/zinc/59/85/66/1165598566.db2.gz NRRXYFAHYLDNDM-MRVPVSSYSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccccc1 ZINC001580429506 1165601125 /nfs/dbraw/zinc/60/11/25/1165601125.db2.gz KEIYXPKSKNKIBU-SNVBAGLBSA-N -1 1 324.348 0.887 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccccc1 ZINC001580429506 1165601126 /nfs/dbraw/zinc/60/11/26/1165601126.db2.gz KEIYXPKSKNKIBU-SNVBAGLBSA-N -1 1 324.348 0.887 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)C ZINC001580427250 1165601155 /nfs/dbraw/zinc/60/11/55/1165601155.db2.gz GCGXXZTXWFZRPY-MRVPVSSYSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)C ZINC001580427250 1165601159 /nfs/dbraw/zinc/60/11/59/1165601159.db2.gz GCGXXZTXWFZRPY-MRVPVSSYSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccco1 ZINC001580429674 1165601807 /nfs/dbraw/zinc/60/18/07/1165601807.db2.gz QCZJQWNDOZMRRS-MRVPVSSYSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccco1 ZINC001580429674 1165601810 /nfs/dbraw/zinc/60/18/10/1165601810.db2.gz QCZJQWNDOZMRRS-MRVPVSSYSA-N -1 1 314.309 0.480 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)nn1C ZINC001580521846 1165629252 /nfs/dbraw/zinc/62/92/52/1165629252.db2.gz AETXDGKWFMJRLH-DJLDLDEBSA-N -1 1 315.337 0.462 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)nn1C ZINC001580521846 1165629255 /nfs/dbraw/zinc/62/92/55/1165629255.db2.gz AETXDGKWFMJRLH-DJLDLDEBSA-N -1 1 315.337 0.462 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC001580601197 1165651633 /nfs/dbraw/zinc/65/16/33/1165651633.db2.gz JQFWZEKEXHBBJS-QXFUBDJGSA-N -1 1 318.337 0.571 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1Cc2ccncc2C1 ZINC001580600947 1165651661 /nfs/dbraw/zinc/65/16/61/1165651661.db2.gz SDXREGZDPYKAPI-UHFFFAOYSA-N -1 1 323.316 0.827 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H]1CCC[C@@H]1O ZINC001580605673 1165654081 /nfs/dbraw/zinc/65/40/81/1165654081.db2.gz CLTSEWGAOOCMCD-SCZZXKLOSA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1ccn(C)c1 ZINC001580605743 1165654987 /nfs/dbraw/zinc/65/49/87/1165654987.db2.gz HEHGOJNIIMKWSS-UHFFFAOYSA-N -1 1 313.321 0.544 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)CNC(=O)C2CC2)n1 ZINC001580717393 1165698892 /nfs/dbraw/zinc/69/88/92/1165698892.db2.gz UXLPDMQNAKTMRD-MRVPVSSYSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)CNC(=O)C2CC2)n1 ZINC001580717393 1165698897 /nfs/dbraw/zinc/69/88/97/1165698897.db2.gz UXLPDMQNAKTMRD-MRVPVSSYSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cnc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cn1 ZINC001581320534 1165813329 /nfs/dbraw/zinc/81/33/29/1165813329.db2.gz KDUGYMXIVLULSV-UHFFFAOYSA-N -1 1 309.333 0.664 20 0 DCADMM Cc1nnc(C2CN(C(=O)c3cc(-c4nn[n-]n4)oc3C)C2)[nH]1 ZINC001581446402 1165828747 /nfs/dbraw/zinc/82/87/47/1165828747.db2.gz ZXVZHNYPWJMKNV-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM Cc1nsc(N(C)C[C@H](C)NC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001581660666 1165856215 /nfs/dbraw/zinc/85/62/15/1165856215.db2.gz GYPZVAQNVIPGFB-ZETCQYMHSA-N -1 1 321.410 0.983 20 0 DCADMM Cc1nsc(NC(=O)CCc2cnn(C)n2)c1-c1nnn[n-]1 ZINC001581683643 1165857714 /nfs/dbraw/zinc/85/77/14/1165857714.db2.gz HATJROKGVWMVSO-UHFFFAOYSA-N -1 1 319.354 0.331 20 0 DCADMM Cc1nsc(NC(=O)CCc2cnn(C)n2)c1-c1nn[n-]n1 ZINC001581683643 1165857719 /nfs/dbraw/zinc/85/77/19/1165857719.db2.gz HATJROKGVWMVSO-UHFFFAOYSA-N -1 1 319.354 0.331 20 0 DCADMM Cn1c(=O)c2ccccc2n1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001581748646 1165865024 /nfs/dbraw/zinc/86/50/24/1165865024.db2.gz NVDVNELIQOOKSY-UHFFFAOYSA-N -1 1 310.273 0.802 20 0 DCADMM Cn1c(=O)c2ccccc2n1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001581748646 1165865031 /nfs/dbraw/zinc/86/50/31/1165865031.db2.gz NVDVNELIQOOKSY-UHFFFAOYSA-N -1 1 310.273 0.802 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)n1 ZINC001581753461 1165868432 /nfs/dbraw/zinc/86/84/32/1165868432.db2.gz FVNUYCFUAIGDHC-RNJXMRFFSA-N -1 1 301.310 0.154 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)n1 ZINC001581753461 1165868437 /nfs/dbraw/zinc/86/84/37/1165868437.db2.gz FVNUYCFUAIGDHC-RNJXMRFFSA-N -1 1 301.310 0.154 20 0 DCADMM Cn1cc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001581770705 1165873343 /nfs/dbraw/zinc/87/33/43/1165873343.db2.gz RLLDXQNASIGSEO-UHFFFAOYSA-N -1 1 318.366 0.661 20 0 DCADMM Nc1nnc(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001581912134 1165913200 /nfs/dbraw/zinc/91/32/00/1165913200.db2.gz YADWXVTZPQVYGP-UHFFFAOYSA-N -1 1 322.379 0.221 20 0 DCADMM O=C(CC1CC1)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001581970572 1165927676 /nfs/dbraw/zinc/92/76/76/1165927676.db2.gz QIQWLFVNRHTGNL-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(CC1CC1)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001581970572 1165927677 /nfs/dbraw/zinc/92/76/77/1165927677.db2.gz QIQWLFVNRHTGNL-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(CCCF)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001582042299 1165942179 /nfs/dbraw/zinc/94/21/79/1165942179.db2.gz FSKLFJTWYPYEJP-UHFFFAOYSA-N -1 1 320.332 0.055 20 0 DCADMM O=C(CCCF)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001582042299 1165942182 /nfs/dbraw/zinc/94/21/82/1165942182.db2.gz FSKLFJTWYPYEJP-UHFFFAOYSA-N -1 1 320.332 0.055 20 0 DCADMM O=C(CCCF)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001582041314 1165942295 /nfs/dbraw/zinc/94/22/95/1165942295.db2.gz CWJGALNRIWDMOG-VIFPVBQESA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CCCF)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001582041314 1165942300 /nfs/dbraw/zinc/94/23/00/1165942300.db2.gz CWJGALNRIWDMOG-VIFPVBQESA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CCCn1cncn1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582052293 1165945654 /nfs/dbraw/zinc/94/56/54/1165945654.db2.gz IDWNLODVWSWIPQ-UHFFFAOYSA-N -1 1 318.366 0.616 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1ccnc(F)c1 ZINC001582139225 1165967464 /nfs/dbraw/zinc/96/74/64/1165967464.db2.gz RYSJEUMOYQKYOB-UHFFFAOYSA-N -1 1 313.296 0.655 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1ccnc(F)c1 ZINC001582139225 1165967472 /nfs/dbraw/zinc/96/74/72/1165967472.db2.gz RYSJEUMOYQKYOB-UHFFFAOYSA-N -1 1 313.296 0.655 20 0 DCADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccc2c(c1)CCO2 ZINC001582192329 1165979725 /nfs/dbraw/zinc/97/97/25/1165979725.db2.gz SUSVMGVVAWSLAQ-UHFFFAOYSA-N -1 1 323.312 0.846 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001582554216 1166042432 /nfs/dbraw/zinc/04/24/32/1166042432.db2.gz BKIBOKXQWPOVGP-GMXVVIOVSA-N -1 1 314.349 0.693 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001582554216 1166042436 /nfs/dbraw/zinc/04/24/36/1166042436.db2.gz BKIBOKXQWPOVGP-GMXVVIOVSA-N -1 1 314.349 0.693 20 0 DCADMM O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1cccc(-c2nnn[n-]2)n1 ZINC001582564459 1166046944 /nfs/dbraw/zinc/04/69/44/1166046944.db2.gz PPDRAZOWVROOFB-XCBNKYQSSA-N -1 1 324.291 0.540 20 0 DCADMM O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1cccc(-c2nn[n-]n2)n1 ZINC001582564459 1166046951 /nfs/dbraw/zinc/04/69/51/1166046951.db2.gz PPDRAZOWVROOFB-XCBNKYQSSA-N -1 1 324.291 0.540 20 0 DCADMM O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC001582583608 1166049818 /nfs/dbraw/zinc/04/98/18/1166049818.db2.gz BVIUTENCQUYUCY-FXAINCCUSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC001582583608 1166049823 /nfs/dbraw/zinc/04/98/23/1166049823.db2.gz BVIUTENCQUYUCY-FXAINCCUSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc2[nH]c(=O)oc2c1 ZINC001582631733 1166057481 /nfs/dbraw/zinc/05/74/81/1166057481.db2.gz NVTCZPJWHWQUTQ-UHFFFAOYSA-N -1 1 312.249 0.689 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc2[nH]c(=O)oc2c1 ZINC001582631733 1166057489 /nfs/dbraw/zinc/05/74/89/1166057489.db2.gz NVTCZPJWHWQUTQ-UHFFFAOYSA-N -1 1 312.249 0.689 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001582708532 1166067742 /nfs/dbraw/zinc/06/77/42/1166067742.db2.gz OCSLBDOSWGJAIT-ZUZCIYMTSA-N -1 1 314.349 0.496 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001582708532 1166067749 /nfs/dbraw/zinc/06/77/49/1166067749.db2.gz OCSLBDOSWGJAIT-ZUZCIYMTSA-N -1 1 314.349 0.496 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001582701454 1166068070 /nfs/dbraw/zinc/06/80/70/1166068070.db2.gz NCQIIXZZEMRSFT-JFGNBEQYSA-N -1 1 300.322 0.105 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001582701454 1166068075 /nfs/dbraw/zinc/06/80/75/1166068075.db2.gz NCQIIXZZEMRSFT-JFGNBEQYSA-N -1 1 300.322 0.105 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCO[C@H](c2ncon2)C1 ZINC001582741568 1166072883 /nfs/dbraw/zinc/07/28/83/1166072883.db2.gz ACFJQGGBEMDYCM-VIFPVBQESA-N -1 1 317.265 0.056 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCO[C@H](c2ncon2)C1 ZINC001582741568 1166072889 /nfs/dbraw/zinc/07/28/89/1166072889.db2.gz ACFJQGGBEMDYCM-VIFPVBQESA-N -1 1 317.265 0.056 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCc2ncncc2C1 ZINC001582744684 1166074259 /nfs/dbraw/zinc/07/42/59/1166074259.db2.gz CTGNXTRQYMAEHI-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM O=C1C[C@H](c2cccc(Nc3ccnc(-c4nn[n-]n4)n3)c2)CN1 ZINC001582759734 1166075439 /nfs/dbraw/zinc/07/54/39/1166075439.db2.gz HDKZEHPAKSYNPO-JTQLQIEISA-N -1 1 322.332 0.426 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)c1ccc2c(c1)CCC(=O)N2 ZINC001582774144 1166080700 /nfs/dbraw/zinc/08/07/00/1166080700.db2.gz BBDJHJJBIJXTNE-UHFFFAOYSA-N -1 1 324.304 0.226 20 0 DCADMM OCc1cc(CCNc2ncncc2-c2nn[n-]n2)ccc1O ZINC001582813461 1166094300 /nfs/dbraw/zinc/09/43/00/1166094300.db2.gz JIIXWMYYZXADFL-UHFFFAOYSA-N -1 1 313.321 0.509 20 0 DCADMM OC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C(F)(F)F ZINC001582813718 1166094799 /nfs/dbraw/zinc/09/47/99/1166094799.db2.gz ATBDSZCTTRZAGM-NKWVEPMBSA-N -1 1 315.259 0.264 20 0 DCADMM c1cncc([C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CCO2)c1 ZINC001582819786 1166099049 /nfs/dbraw/zinc/09/90/49/1166099049.db2.gz YMVICZAAXNBANT-VXGBXAGGSA-N -1 1 324.348 0.806 20 0 DCADMM COCCN1CCN(C(=O)c2cc(C)cc(C=O)c2[O-])CC1 ZINC001585116212 1166400850 /nfs/dbraw/zinc/40/08/50/1166400850.db2.gz IOELXPIKOZPDIT-UHFFFAOYSA-N -1 1 306.362 0.917 20 0 DCADMM Cc1cn2ccc(NC(=O)CCn3cc[n-]c(=O)c3=O)cc2n1 ZINC001585543673 1166444044 /nfs/dbraw/zinc/44/40/44/1166444044.db2.gz HZWVHFMMLOYDEB-UHFFFAOYSA-N -1 1 313.317 0.522 20 0 DCADMM Nc1cc(F)c(F)cc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001586806211 1166499181 /nfs/dbraw/zinc/49/91/81/1166499181.db2.gz PUGORCKNYBIYDS-SNVBAGLBSA-N -1 1 310.264 0.274 20 0 DCADMM Cn1nnc2ccc(C(=O)N3CCC(c4nn[n-]n4)CC3)cc21 ZINC001587870449 1166512261 /nfs/dbraw/zinc/51/22/61/1166512261.db2.gz UDVQVQIQFSYIQB-UHFFFAOYSA-N -1 1 312.337 0.501 20 0 DCADMM C/C(=C/C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588762320 1166587036 /nfs/dbraw/zinc/58/70/36/1166587036.db2.gz PJMHEEQOCAEFLJ-HJWRWDBZSA-N -1 1 314.353 0.541 20 0 DCADMM C/C(=C/C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588762320 1166587044 /nfs/dbraw/zinc/58/70/44/1166587044.db2.gz PJMHEEQOCAEFLJ-HJWRWDBZSA-N -1 1 314.353 0.541 20 0 DCADMM CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588810630 1166595739 /nfs/dbraw/zinc/59/57/39/1166595739.db2.gz BESADQMIYKYKDC-ZDUSSCGKSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588810630 1166595744 /nfs/dbraw/zinc/59/57/44/1166595744.db2.gz BESADQMIYKYKDC-ZDUSSCGKSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)N1CC[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588809944 1166595826 /nfs/dbraw/zinc/59/58/26/1166595826.db2.gz OWSNAEIZAXNVOS-PSASIEDQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588809944 1166595829 /nfs/dbraw/zinc/59/58/29/1166595829.db2.gz OWSNAEIZAXNVOS-PSASIEDQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C1CCCC1 ZINC001588828782 1166600616 /nfs/dbraw/zinc/60/06/16/1166600616.db2.gz RXWWFPRQIAAHGA-JTQLQIEISA-N -1 1 318.341 0.223 20 0 DCADMM CC(=O)N[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C1CCCC1 ZINC001588828782 1166600620 /nfs/dbraw/zinc/60/06/20/1166600620.db2.gz RXWWFPRQIAAHGA-JTQLQIEISA-N -1 1 318.341 0.223 20 0 DCADMM CC(=O)OCC(C)(C)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001588887866 1166613002 /nfs/dbraw/zinc/61/30/02/1166613002.db2.gz FIUSODSLEDAYLG-UHFFFAOYSA-N -1 1 307.314 0.265 20 0 DCADMM C[C@@H](C(=O)NC(C)(C)C(F)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588965687 1166622477 /nfs/dbraw/zinc/62/24/77/1166622477.db2.gz IHGPJSJOTKURHT-YFKPBYRVSA-N -1 1 318.263 0.476 20 0 DCADMM C[C@H](C(=O)NC1(C)CC(F)(F)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970438 1166623319 /nfs/dbraw/zinc/62/33/19/1166623319.db2.gz ILWWXIUHROZWQD-ZCFIWIBFSA-N -1 1 312.284 0.323 20 0 DCADMM C[C@@H](C(=O)N[C@]1(C)CC=CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970029 1166623385 /nfs/dbraw/zinc/62/33/85/1166623385.db2.gz AHUATPUKCZUWEA-TVQRCGJNSA-N -1 1 302.342 0.634 20 0 DCADMM C[C@H](C(=O)N[C@@H]1C[C@H]1c1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588972758 1166623442 /nfs/dbraw/zinc/62/34/42/1166623442.db2.gz MIYJYTVMIYPPBF-ADEWGFFLSA-N -1 1 324.348 0.692 20 0 DCADMM CC(C)C(C)(C)CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588980130 1166624064 /nfs/dbraw/zinc/62/40/64/1166624064.db2.gz VFIAFRHDJUIPSP-VIFPVBQESA-N -1 1 306.374 0.818 20 0 DCADMM C[C@H](C(=O)OCC[C@H]1CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001589025955 1166630408 /nfs/dbraw/zinc/63/04/08/1166630408.db2.gz GXTNJJISPMCUNZ-RQJHMYQMSA-N -1 1 313.268 0.608 20 0 DCADMM C[C@@H](C(=O)OCC[C@H]1CCCCO1)n1cnc(-c2nn[n-]n2)n1 ZINC001589027936 1166630469 /nfs/dbraw/zinc/63/04/69/1166630469.db2.gz RGTUSADBNMTPRG-VHSXEESVSA-N -1 1 321.341 0.522 20 0 DCADMM C[C@@H](C(=O)OC[C@@H]1CCCS1)n1cnc(-c2nn[n-]n2)n1 ZINC001589027479 1166631122 /nfs/dbraw/zinc/63/11/22/1166631122.db2.gz OBKPIEPJQLDHES-YUMQZZPRSA-N -1 1 309.355 0.458 20 0 DCADMM CC(C)(C)C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001589084792 1166632833 /nfs/dbraw/zinc/63/28/33/1166632833.db2.gz KPRIUJFHCHZHEQ-PLNGDYQASA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001589084792 1166632839 /nfs/dbraw/zinc/63/28/39/1166632839.db2.gz KPRIUJFHCHZHEQ-PLNGDYQASA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001589099966 1166635823 /nfs/dbraw/zinc/63/58/23/1166635823.db2.gz WALWELOENAFSQB-UWVGGRQHSA-N -1 1 318.385 0.789 20 0 DCADMM CC(C)[C@H](CO)ONC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589460689 1166659267 /nfs/dbraw/zinc/65/92/67/1166659267.db2.gz RKZWAISDTUKDQK-VIFPVBQESA-N -1 1 307.314 0.332 20 0 DCADMM CC(C)[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589494237 1166663434 /nfs/dbraw/zinc/66/34/34/1166663434.db2.gz JGEWSNTZHAGGFM-CQSZACIVSA-N -1 1 303.370 0.892 20 0 DCADMM CC(C)[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589494237 1166663436 /nfs/dbraw/zinc/66/34/36/1166663436.db2.gz JGEWSNTZHAGGFM-CQSZACIVSA-N -1 1 303.370 0.892 20 0 DCADMM CC(C)CO[C@H]1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001589640174 1166671109 /nfs/dbraw/zinc/67/11/09/1166671109.db2.gz CMYIHXDRDCIOCH-LBPRGKRZSA-N -1 1 318.381 0.733 20 0 DCADMM CC(C)C[C@@H]1C[C@H]1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589658881 1166671117 /nfs/dbraw/zinc/67/11/17/1166671117.db2.gz UYEUYUOZFMTEOJ-OPRDCNLKSA-N -1 1 304.358 0.570 20 0 DCADMM CC(C)Cc1nc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cs1 ZINC001589664810 1166671766 /nfs/dbraw/zinc/67/17/66/1166671766.db2.gz XIQDPDDEHQVQGN-UHFFFAOYSA-N -1 1 318.366 0.989 20 0 DCADMM CC(C)N(C[C@H]1CCC(=O)N1)c1ccnc(-c2nn[n-]n2)n1 ZINC001589679250 1166675168 /nfs/dbraw/zinc/67/51/68/1166675168.db2.gz JYYIFWVHLTZNLR-SECBINFHSA-N -1 1 302.342 0.150 20 0 DCADMM CC(C)NC(=O)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589719701 1166677479 /nfs/dbraw/zinc/67/74/79/1166677479.db2.gz DUJKKFLUQKPVDE-SSDOTTSWSA-N -1 1 308.367 0.571 20 0 DCADMM CC(C)NC(=O)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589719701 1166677483 /nfs/dbraw/zinc/67/74/83/1166677483.db2.gz DUJKKFLUQKPVDE-SSDOTTSWSA-N -1 1 308.367 0.571 20 0 DCADMM CC(C)OC[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001589746009 1166681577 /nfs/dbraw/zinc/68/15/77/1166681577.db2.gz GNVWKTCSZRRJGM-ZDUSSCGKSA-N -1 1 318.381 0.888 20 0 DCADMM CC(C)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001589831611 1166695505 /nfs/dbraw/zinc/69/55/05/1166695505.db2.gz BZJBPVHEPXLQKT-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001589831611 1166695507 /nfs/dbraw/zinc/69/55/07/1166695507.db2.gz BZJBPVHEPXLQKT-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H](CCNC(=O)c1csc(-c2nn[n-]n2)c1)[S@@](C)=O ZINC001589826194 1166695667 /nfs/dbraw/zinc/69/56/67/1166695667.db2.gz KGTAFTDOERSQIC-JLPJYYFKSA-N -1 1 313.408 0.815 20 0 DCADMM C[C@@H](Cc1ccco1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589900686 1166713946 /nfs/dbraw/zinc/71/39/46/1166713946.db2.gz BDOGAGYFAPFWNU-VIFPVBQESA-N -1 1 316.325 0.046 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccn(C)n1 ZINC001589925387 1166721927 /nfs/dbraw/zinc/72/19/27/1166721927.db2.gz AUKHHRZWDACNFR-VIFPVBQESA-N -1 1 312.337 0.415 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccn(C)n1 ZINC001589925387 1166721928 /nfs/dbraw/zinc/72/19/28/1166721928.db2.gz AUKHHRZWDACNFR-VIFPVBQESA-N -1 1 312.337 0.415 20 0 DCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCC(F)CC1 ZINC001589927097 1166723129 /nfs/dbraw/zinc/72/31/29/1166723129.db2.gz CQQKUNUGUQYNOB-IDKOKCKLSA-N -1 1 322.348 0.491 20 0 DCADMM C[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1ncnn1C ZINC001589938267 1166726740 /nfs/dbraw/zinc/72/67/40/1166726740.db2.gz FSBRCEJLBDSSHN-ZETCQYMHSA-N -1 1 314.313 0.273 20 0 DCADMM C[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1ncnn1C ZINC001589938267 1166726746 /nfs/dbraw/zinc/72/67/46/1166726746.db2.gz FSBRCEJLBDSSHN-ZETCQYMHSA-N -1 1 314.313 0.273 20 0 DCADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)C(=O)NCc1ccco1 ZINC001589986190 1166734772 /nfs/dbraw/zinc/73/47/72/1166734772.db2.gz ZWNLPJQABCELOV-SECBINFHSA-N -1 1 313.321 0.393 20 0 DCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)C(=O)NCc1ccco1 ZINC001589986190 1166734776 /nfs/dbraw/zinc/73/47/76/1166734776.db2.gz ZWNLPJQABCELOV-SECBINFHSA-N -1 1 313.321 0.393 20 0 DCADMM C[C@](O)(CNC(=O)c1csc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589988081 1166739320 /nfs/dbraw/zinc/73/93/20/1166739320.db2.gz HIFRQVGTOPYQDV-VIFPVBQESA-N -1 1 321.284 0.971 20 0 DCADMM C[C@@H](O)[C@H]1CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001589995615 1166740797 /nfs/dbraw/zinc/74/07/97/1166740797.db2.gz MVFSDBGXSWIPDT-SFYZADRCSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H](O)[C@H]1CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001589995615 1166740804 /nfs/dbraw/zinc/74/08/04/1166740804.db2.gz MVFSDBGXSWIPDT-SFYZADRCSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H](O)CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001590001300 1166747844 /nfs/dbraw/zinc/74/78/44/1166747844.db2.gz WQCBASIIOPTGSM-SECBINFHSA-N -1 1 302.338 0.176 20 0 DCADMM C[C@@H](O)CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001590001300 1166747850 /nfs/dbraw/zinc/74/78/50/1166747850.db2.gz WQCBASIIOPTGSM-SECBINFHSA-N -1 1 302.338 0.176 20 0 DCADMM C[C@H](CO)N(C[C@H](C)O)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590001542 1166748897 /nfs/dbraw/zinc/74/88/97/1166748897.db2.gz YEBVADVZZFRUBA-SFYZADRCSA-N -1 1 311.367 0.132 20 0 DCADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1nncn1C ZINC001590015772 1166753695 /nfs/dbraw/zinc/75/36/95/1166753695.db2.gz LAXJLWRWKCGTNA-ZCFIWIBFSA-N -1 1 305.323 0.975 20 0 DCADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001590062558 1166763077 /nfs/dbraw/zinc/76/30/77/1166763077.db2.gz KRCOGUSTDZODLB-VIFPVBQESA-N -1 1 314.353 0.152 20 0 DCADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001590062558 1166763084 /nfs/dbraw/zinc/76/30/84/1166763084.db2.gz KRCOGUSTDZODLB-VIFPVBQESA-N -1 1 314.353 0.152 20 0 DCADMM C[C@@]1(C(N)=O)CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590072526 1166767093 /nfs/dbraw/zinc/76/70/93/1166767093.db2.gz JAPVHDNRODVLLF-CQSZACIVSA-N -1 1 314.353 0.236 20 0 DCADMM C[C@@]1(C(N)=O)CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590072526 1166767099 /nfs/dbraw/zinc/76/70/99/1166767099.db2.gz JAPVHDNRODVLLF-CQSZACIVSA-N -1 1 314.353 0.236 20 0 DCADMM CC1(C)CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590095746 1166772065 /nfs/dbraw/zinc/77/20/65/1166772065.db2.gz ZFCKOQNKJLHULL-VIFPVBQESA-N -1 1 304.358 0.543 20 0 DCADMM CC1(C)CO[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590110748 1166776878 /nfs/dbraw/zinc/77/68/78/1166776878.db2.gz HAJYCGDVFYMHIA-VIFPVBQESA-N -1 1 302.338 0.807 20 0 DCADMM CC1(C)CO[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590110748 1166776883 /nfs/dbraw/zinc/77/68/83/1166776883.db2.gz HAJYCGDVFYMHIA-VIFPVBQESA-N -1 1 302.338 0.807 20 0 DCADMM CC1([C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)OCCO1 ZINC001590119765 1166781602 /nfs/dbraw/zinc/78/16/02/1166781602.db2.gz ICRNWTRYCLTIFV-SNVBAGLBSA-N -1 1 317.353 0.636 20 0 DCADMM CC1([C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)OCCO1 ZINC001590119765 1166781608 /nfs/dbraw/zinc/78/16/08/1166781608.db2.gz ICRNWTRYCLTIFV-SNVBAGLBSA-N -1 1 317.353 0.636 20 0 DCADMM C[C@@]1(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CCC(=O)N1 ZINC001590131789 1166784632 /nfs/dbraw/zinc/78/46/32/1166784632.db2.gz GALJQJRDTIOKFQ-AWEZNQCLSA-N -1 1 318.312 0.404 20 0 DCADMM C[C@@]1(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CCC(=O)N1 ZINC001590131789 1166784641 /nfs/dbraw/zinc/78/46/41/1166784641.db2.gz GALJQJRDTIOKFQ-AWEZNQCLSA-N -1 1 318.312 0.404 20 0 DCADMM C[C@@]1(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCOC1=O ZINC001590145003 1166787197 /nfs/dbraw/zinc/78/71/97/1166787197.db2.gz LXLCGRQZWJHCOL-GFCCVEGCSA-N -1 1 303.282 0.089 20 0 DCADMM C[C@@]1(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCOC1=O ZINC001590145003 1166787201 /nfs/dbraw/zinc/78/72/01/1166787201.db2.gz LXLCGRQZWJHCOL-GFCCVEGCSA-N -1 1 303.282 0.089 20 0 DCADMM C[C@@]1(O)CCN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001590150191 1166790685 /nfs/dbraw/zinc/79/06/85/1166790685.db2.gz MLQINHGAOCCBJP-CYBMUJFWSA-N -1 1 309.276 0.742 20 0 DCADMM C[C@@]1(O)CCN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001590150191 1166790688 /nfs/dbraw/zinc/79/06/88/1166790688.db2.gz MLQINHGAOCCBJP-CYBMUJFWSA-N -1 1 309.276 0.742 20 0 DCADMM CC1=CCN(c2nnc(-c3cnc(-c4nnn[n-]4)cn3)n2C)CC1 ZINC001590160492 1166793480 /nfs/dbraw/zinc/79/34/80/1166793480.db2.gz DYEQJWJYXQXPOM-UHFFFAOYSA-N -1 1 324.352 0.609 20 0 DCADMM CC1=CCN(c2nnc(-c3cnc(-c4nn[n-]n4)cn3)n2C)CC1 ZINC001590160492 1166793487 /nfs/dbraw/zinc/79/34/87/1166793487.db2.gz DYEQJWJYXQXPOM-UHFFFAOYSA-N -1 1 324.352 0.609 20 0 DCADMM C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc(-c2nn[nH]n2)nc1 ZINC001590170111 1166798941 /nfs/dbraw/zinc/79/89/41/1166798941.db2.gz ZWKHNVFMCFNWAB-WDEREUQCSA-N -1 1 315.381 0.355 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1CS[C@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590196487 1166806859 /nfs/dbraw/zinc/80/68/59/1166806859.db2.gz IVMAPMZSMWTPLH-CSMHCCOUSA-N -1 1 308.371 0.029 20 0 DCADMM C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CCS1(=O)=O ZINC001590208181 1166816610 /nfs/dbraw/zinc/81/66/10/1166816610.db2.gz WBWRRYXLDRJZCJ-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CCS1(=O)=O ZINC001590208181 1166816612 /nfs/dbraw/zinc/81/66/12/1166816612.db2.gz WBWRRYXLDRJZCJ-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CCC[C@H](Cn2cnc3ncc(-c4nn[n-]n4)c(=O)n32)C1 ZINC001590240153 1166824468 /nfs/dbraw/zinc/82/44/68/1166824468.db2.gz CWSWUOVWMCMFCK-ZJUUUORDSA-N -1 1 314.353 0.897 20 0 DCADMM C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590246111 1166826406 /nfs/dbraw/zinc/82/64/06/1166826406.db2.gz BNYFLLOGVDBUGG-BDAKNGLRSA-N -1 1 308.367 0.729 20 0 DCADMM CC1CCN(C(=O)C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1 ZINC001590262837 1166828748 /nfs/dbraw/zinc/82/87/48/1166828748.db2.gz GNIZSDZMIAJLED-UHFFFAOYSA-N -1 1 321.366 0.520 20 0 DCADMM CC1CCN(C(=O)C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1 ZINC001590262837 1166828756 /nfs/dbraw/zinc/82/87/56/1166828756.db2.gz GNIZSDZMIAJLED-UHFFFAOYSA-N -1 1 321.366 0.520 20 0 DCADMM C[C@H]1CCCN(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2C)C1 ZINC001590262281 1166828949 /nfs/dbraw/zinc/82/89/49/1166828949.db2.gz TUCGRQSYRGFJSS-QMMMGPOBSA-N -1 1 314.357 0.622 20 0 DCADMM C[C@@H]1CCCN(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2C)C1 ZINC001590262279 1166829509 /nfs/dbraw/zinc/82/95/09/1166829509.db2.gz TUCGRQSYRGFJSS-MRVPVSSYSA-N -1 1 314.357 0.622 20 0 DCADMM C[C@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC001590256395 1166830201 /nfs/dbraw/zinc/83/02/01/1166830201.db2.gz ZTXDMKWJICDDQX-DTWKUNHWSA-N -1 1 319.369 0.255 20 0 DCADMM C[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1n1ccnc1 ZINC001590274755 1166833863 /nfs/dbraw/zinc/83/38/63/1166833863.db2.gz PMGMEQWKSHJZGZ-GHMZBOCLSA-N -1 1 311.353 0.941 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC[C@H]1O ZINC001590291269 1166843428 /nfs/dbraw/zinc/84/34/28/1166843428.db2.gz BNCKKUZXYOLADP-JOYOIKCWSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC[C@H]1O ZINC001590291269 1166843434 /nfs/dbraw/zinc/84/34/34/1166843434.db2.gz BNCKKUZXYOLADP-JOYOIKCWSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1OCC[C@]12CN(c1ccc(-c3nnn[n-]3)nn1)C[C@@H](C)O2 ZINC001590312884 1166858105 /nfs/dbraw/zinc/85/81/05/1166858105.db2.gz RROJGSZEJFGRPO-RULNRJAQSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@H]1OCC[C@]12CN(c1ccc(-c3nn[n-]n3)nn1)C[C@@H](C)O2 ZINC001590312884 1166858110 /nfs/dbraw/zinc/85/81/10/1166858110.db2.gz RROJGSZEJFGRPO-RULNRJAQSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@H]1CO[C@H](C(F)(F)F)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590322717 1166862591 /nfs/dbraw/zinc/86/25/91/1166862591.db2.gz IZNAMESXSDYTME-XPUUQOCRSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CO[C@H](C(F)(F)F)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590322717 1166862608 /nfs/dbraw/zinc/86/26/08/1166862608.db2.gz IZNAMESXSDYTME-XPUUQOCRSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CO[C@@H](CO)CN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590320819 1166863780 /nfs/dbraw/zinc/86/37/80/1166863780.db2.gz AEUZYFBGUORPHU-NTSWFWBYSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC2(CCOCC2)O1 ZINC001590318167 1166863887 /nfs/dbraw/zinc/86/38/87/1166863887.db2.gz RCQNKLJTNVOWQI-SNVBAGLBSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC2(CCOCC2)O1 ZINC001590318167 1166863897 /nfs/dbraw/zinc/86/38/97/1166863897.db2.gz RCQNKLJTNVOWQI-SNVBAGLBSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CO[C@H](CO)CN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590323424 1166865590 /nfs/dbraw/zinc/86/55/90/1166865590.db2.gz LLNDNIRQIZUKPB-YUMQZZPRSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1CO[C@H](CO)CN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590323424 1166865594 /nfs/dbraw/zinc/86/55/94/1166865594.db2.gz LLNDNIRQIZUKPB-YUMQZZPRSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590333385 1166872065 /nfs/dbraw/zinc/87/20/65/1166872065.db2.gz DAYPRCPRDDUREQ-OORONAJNSA-N -1 1 305.342 0.598 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590333385 1166872070 /nfs/dbraw/zinc/87/20/70/1166872070.db2.gz DAYPRCPRDDUREQ-OORONAJNSA-N -1 1 305.342 0.598 20 0 DCADMM C[C@@H]1OCC[C@]1(O)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590335241 1166873340 /nfs/dbraw/zinc/87/33/40/1166873340.db2.gz VLCWHARRHDMEJY-RTHLEPHNSA-N -1 1 317.353 0.486 20 0 DCADMM C[C@@H]1OCC[C@]1(O)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590335241 1166873348 /nfs/dbraw/zinc/87/33/48/1166873348.db2.gz VLCWHARRHDMEJY-RTHLEPHNSA-N -1 1 317.353 0.486 20 0 DCADMM C[C@H]1OCC[C@]1(O)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590335237 1166874600 /nfs/dbraw/zinc/87/46/00/1166874600.db2.gz VLCWHARRHDMEJY-CLAHSXSESA-N -1 1 317.353 0.486 20 0 DCADMM C[C@H]1OCC[C@]1(O)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590335237 1166874609 /nfs/dbraw/zinc/87/46/09/1166874609.db2.gz VLCWHARRHDMEJY-CLAHSXSESA-N -1 1 317.353 0.486 20 0 DCADMM C/C=C/C[C@@H](CO)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590355366 1166881125 /nfs/dbraw/zinc/88/11/25/1166881125.db2.gz ZGGXJULKWQZHEO-HPOULIHZSA-N -1 1 303.326 0.710 20 0 DCADMM C/C=C/C[C@@H](CO)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590355366 1166881132 /nfs/dbraw/zinc/88/11/32/1166881132.db2.gz ZGGXJULKWQZHEO-HPOULIHZSA-N -1 1 303.326 0.710 20 0 DCADMM C/C=C(/C)C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590351751 1166881622 /nfs/dbraw/zinc/88/16/22/1166881622.db2.gz ZYSLZNYBORASPZ-OQFOIZHKSA-N -1 1 302.342 0.541 20 0 DCADMM C/C=C(/C)C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590351751 1166881627 /nfs/dbraw/zinc/88/16/27/1166881627.db2.gz ZYSLZNYBORASPZ-OQFOIZHKSA-N -1 1 302.342 0.541 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590357019 1166882290 /nfs/dbraw/zinc/88/22/90/1166882290.db2.gz XFXHAONVEVDICD-FWAPLPHYSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590357019 1166882286 /nfs/dbraw/zinc/88/22/86/1166882286.db2.gz XFXHAONVEVDICD-FWAPLPHYSA-N -1 1 316.369 0.930 20 0 DCADMM CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590360686 1166884556 /nfs/dbraw/zinc/88/45/56/1166884556.db2.gz DSGKFPYZQMZDHT-QMMMGPOBSA-N -1 1 304.310 0.200 20 0 DCADMM CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590360686 1166884561 /nfs/dbraw/zinc/88/45/61/1166884561.db2.gz DSGKFPYZQMZDHT-QMMMGPOBSA-N -1 1 304.310 0.200 20 0 DCADMM CCC(=O)N[C@H](C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590363464 1166886316 /nfs/dbraw/zinc/88/63/16/1166886316.db2.gz AMKXJIASKCWVON-RKDXNWHRSA-N -1 1 304.358 0.762 20 0 DCADMM CCC(=O)N[C@H](C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590363464 1166886322 /nfs/dbraw/zinc/88/63/22/1166886322.db2.gz AMKXJIASKCWVON-RKDXNWHRSA-N -1 1 304.358 0.762 20 0 DCADMM CC[C@](C)(NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC001590381878 1166895106 /nfs/dbraw/zinc/89/51/06/1166895106.db2.gz JLCCMHASWNNQIL-OQPBUACISA-N -1 1 304.358 0.714 20 0 DCADMM 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1167024575 /nfs/dbraw/zinc/02/45/75/1167024575.db2.gz BRVGDOXBGPYJSS-SNVBAGLBSA-N -1 1 319.369 0.461 20 0 DCADMM CCOCCOCC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590814488 1167029341 /nfs/dbraw/zinc/02/93/41/1167029341.db2.gz FGZBISREAWWQDP-UHFFFAOYSA-N -1 1 306.326 0.278 20 0 DCADMM CCOCCOCC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590814488 1167029344 /nfs/dbraw/zinc/02/93/44/1167029344.db2.gz FGZBISREAWWQDP-UHFFFAOYSA-N -1 1 306.326 0.278 20 0 DCADMM CCON(C)C(=O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590818022 1167030886 /nfs/dbraw/zinc/03/08/86/1167030886.db2.gz UJJMYLAGBRFADC-UHFFFAOYSA-N -1 1 311.733 0.737 20 0 DCADMM CCON(C)C(=O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590818022 1167030892 /nfs/dbraw/zinc/03/08/92/1167030892.db2.gz UJJMYLAGBRFADC-UHFFFAOYSA-N -1 1 311.733 0.737 20 0 DCADMM CCO[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)[C@@H]1SC ZINC001590821483 1167034319 /nfs/dbraw/zinc/03/43/19/1167034319.db2.gz RMPHLWVVMZQICK-ZOFUNIGCSA-N -1 1 307.383 0.978 20 0 DCADMM CCO[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)[C@@H]1SC ZINC001590821483 1167034325 /nfs/dbraw/zinc/03/43/25/1167034325.db2.gz RMPHLWVVMZQICK-ZOFUNIGCSA-N -1 1 307.383 0.978 20 0 DCADMM CC[S@](=O)CC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590849799 1167038970 /nfs/dbraw/zinc/03/89/70/1167038970.db2.gz HBQZTVJIFHKWTO-IBGZPJMESA-N -1 1 300.365 0.740 20 0 DCADMM CCc1c[nH]c(CC(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001590900724 1167043312 /nfs/dbraw/zinc/04/33/12/1167043312.db2.gz VKDCTXLQHXBPEG-UHFFFAOYSA-N -1 1 318.366 0.468 20 0 DCADMM CCc1c[nH]c(CC(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001590900724 1167043318 /nfs/dbraw/zinc/04/33/18/1167043318.db2.gz VKDCTXLQHXBPEG-UHFFFAOYSA-N -1 1 318.366 0.468 20 0 DCADMM CCc1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cnn1C ZINC001590872018 1167044440 /nfs/dbraw/zinc/04/44/40/1167044440.db2.gz IABUXACLZJGFHW-UHFFFAOYSA-N -1 1 304.339 0.871 20 0 DCADMM CCc1c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cnn1C ZINC001590872018 1167044446 /nfs/dbraw/zinc/04/44/46/1167044446.db2.gz IABUXACLZJGFHW-UHFFFAOYSA-N -1 1 304.339 0.871 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](C(=O)N(C)C)C2)n1 ZINC001590905944 1167045519 /nfs/dbraw/zinc/04/55/19/1167045519.db2.gz SFWVPVVLIAOHKH-VIFPVBQESA-N -1 1 316.369 0.134 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](C(=O)N(C)C)C2)n1 ZINC001590905944 1167045526 /nfs/dbraw/zinc/04/55/26/1167045526.db2.gz SFWVPVVLIAOHKH-VIFPVBQESA-N -1 1 316.369 0.134 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@](O)(C3CC3)C2)n1 ZINC001590906800 1167046852 /nfs/dbraw/zinc/04/68/52/1167046852.db2.gz XQQDEHSREDDURJ-OAHLLOKOSA-N -1 1 315.381 0.960 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@](O)(C3CC3)C2)n1 ZINC001590906800 1167046857 /nfs/dbraw/zinc/04/68/57/1167046857.db2.gz XQQDEHSREDDURJ-OAHLLOKOSA-N -1 1 315.381 0.960 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCn3cnnc3[C@@H]2C)n1 ZINC001590909668 1167048170 /nfs/dbraw/zinc/04/81/70/1167048170.db2.gz OIAMYIZXNVOFCN-QMMMGPOBSA-N -1 1 312.341 0.392 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCn3cnnc3[C@@H]2C)n1 ZINC001590909668 1167048172 /nfs/dbraw/zinc/04/81/72/1167048172.db2.gz OIAMYIZXNVOFCN-QMMMGPOBSA-N -1 1 312.341 0.392 20 0 DCADMM CCc1nc(N)nc(SCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001590914769 1167048772 /nfs/dbraw/zinc/04/87/72/1167048772.db2.gz GZPBEVIUKJQRNA-UHFFFAOYSA-N -1 1 321.395 0.945 20 0 DCADMM CCc1nc(N)nc(SCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001590914769 1167048775 /nfs/dbraw/zinc/04/87/75/1167048775.db2.gz GZPBEVIUKJQRNA-UHFFFAOYSA-N -1 1 321.395 0.945 20 0 DCADMM CCc1nnc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)[nH]1 ZINC001590914017 1167049659 /nfs/dbraw/zinc/04/96/59/1167049659.db2.gz WTTXOAKLEMUTFX-UHFFFAOYSA-N -1 1 312.341 0.827 20 0 DCADMM CCc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001590917746 1167050925 /nfs/dbraw/zinc/05/09/25/1167050925.db2.gz XUBLCKUZRYJMSH-MRVPVSSYSA-N -1 1 314.353 0.394 20 0 DCADMM CCc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001590917746 1167050930 /nfs/dbraw/zinc/05/09/30/1167050930.db2.gz XUBLCKUZRYJMSH-MRVPVSSYSA-N -1 1 314.353 0.394 20 0 DCADMM CCc1nc(NC[C@@H](C)c2nncn2C)cc(-c2nnn[n-]2)n1 ZINC001590917323 1167051233 /nfs/dbraw/zinc/05/12/33/1167051233.db2.gz MRFGJVWGSPOFBM-MRVPVSSYSA-N -1 1 314.357 0.563 20 0 DCADMM CCc1nc(NC[C@@H](C)c2nncn2C)cc(-c2nn[n-]n2)n1 ZINC001590917323 1167051241 /nfs/dbraw/zinc/05/12/41/1167051241.db2.gz MRFGJVWGSPOFBM-MRVPVSSYSA-N -1 1 314.357 0.563 20 0 DCADMM CCc1nc(N[C@@H]2C(=O)NCC[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001590917692 1167052346 /nfs/dbraw/zinc/05/23/46/1167052346.db2.gz WFIJAPKYFSWLRH-HQJQHLMTSA-N -1 1 302.342 0.156 20 0 DCADMM CCc1nc(N[C@@H]2C(=O)NCC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001590917692 1167052355 /nfs/dbraw/zinc/05/23/55/1167052355.db2.gz WFIJAPKYFSWLRH-HQJQHLMTSA-N -1 1 302.342 0.156 20 0 DCADMM CCc1nn(Cc2ncccn2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929820 1167053212 /nfs/dbraw/zinc/05/32/12/1167053212.db2.gz XUNJXJWMZVAKIT-UHFFFAOYSA-N -1 1 312.337 0.387 20 0 DCADMM CCc1nn(Cc2cnc(C)o2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929758 1167053548 /nfs/dbraw/zinc/05/35/48/1167053548.db2.gz RWLCAFWACJZPKQ-UHFFFAOYSA-N -1 1 315.337 0.893 20 0 DCADMM CCc1ocnc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590938759 1167057162 /nfs/dbraw/zinc/05/71/62/1167057162.db2.gz YEEVPDSSTLEMMF-UHFFFAOYSA-N -1 1 305.323 0.804 20 0 DCADMM CCc1ocnc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590938759 1167057170 /nfs/dbraw/zinc/05/71/70/1167057170.db2.gz YEEVPDSSTLEMMF-UHFFFAOYSA-N -1 1 305.323 0.804 20 0 DCADMM CCn1cc(Cl)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)n1 ZINC001590953278 1167058676 /nfs/dbraw/zinc/05/86/76/1167058676.db2.gz GFVKREHHGLGRSB-UHFFFAOYSA-N -1 1 307.705 0.204 20 0 DCADMM CCn1nc(C)cc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590964582 1167061203 /nfs/dbraw/zinc/06/12/03/1167061203.db2.gz DYHVCHWSVZWKRC-UHFFFAOYSA-N -1 1 301.314 0.377 20 0 DCADMM CCn1nc(C)cc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590964582 1167061206 /nfs/dbraw/zinc/06/12/06/1167061206.db2.gz DYHVCHWSVZWKRC-UHFFFAOYSA-N -1 1 301.314 0.377 20 0 DCADMM CCn1cnnc1CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590963112 1167061940 /nfs/dbraw/zinc/06/19/40/1167061940.db2.gz OYAWHGJVPVLRNI-UHFFFAOYSA-N -1 1 300.330 0.231 20 0 DCADMM CCn1cnnc1CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590963112 1167061941 /nfs/dbraw/zinc/06/19/41/1167061941.db2.gz OYAWHGJVPVLRNI-UHFFFAOYSA-N -1 1 300.330 0.231 20 0 DCADMM CCn1nncc1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590971921 1167064512 /nfs/dbraw/zinc/06/45/12/1167064512.db2.gz KAXWUZARYNRDET-UHFFFAOYSA-N -1 1 300.282 0.230 20 0 DCADMM CCn1nncc1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590971921 1167064516 /nfs/dbraw/zinc/06/45/16/1167064516.db2.gz KAXWUZARYNRDET-UHFFFAOYSA-N -1 1 300.282 0.230 20 0 DCADMM CN(C)C(=O)O[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001591003930 1167074151 /nfs/dbraw/zinc/07/41/51/1167074151.db2.gz ONOLXLRMXCBPFP-VIFPVBQESA-N -1 1 318.341 0.324 20 0 DCADMM CN(C)C(=O)O[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001591003930 1167074157 /nfs/dbraw/zinc/07/41/57/1167074157.db2.gz ONOLXLRMXCBPFP-VIFPVBQESA-N -1 1 318.341 0.324 20 0 DCADMM CN(C)c1cccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001591034516 1167087937 /nfs/dbraw/zinc/08/79/37/1167087937.db2.gz BLSURSYBTIHJRS-UHFFFAOYSA-N -1 1 312.337 0.919 20 0 DCADMM CN(C)c1cccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001591034516 1167087944 /nfs/dbraw/zinc/08/79/44/1167087944.db2.gz BLSURSYBTIHJRS-UHFFFAOYSA-N -1 1 312.337 0.919 20 0 DCADMM CN(C)c1ncncc1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591036612 1167089525 /nfs/dbraw/zinc/08/95/25/1167089525.db2.gz VLXBNAAPWJYCDI-UHFFFAOYSA-N -1 1 300.282 0.568 20 0 DCADMM CN(C)c1ncncc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591036612 1167089530 /nfs/dbraw/zinc/08/95/30/1167089530.db2.gz VLXBNAAPWJYCDI-UHFFFAOYSA-N -1 1 300.282 0.568 20 0 DCADMM CN(Cc1ccns1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591150464 1167116951 /nfs/dbraw/zinc/11/69/51/1167116951.db2.gz ZVHQKLGYZGJZEB-UHFFFAOYSA-N -1 1 301.335 0.990 20 0 DCADMM CN(Cc1ccns1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591150464 1167116957 /nfs/dbraw/zinc/11/69/57/1167116957.db2.gz ZVHQKLGYZGJZEB-UHFFFAOYSA-N -1 1 301.335 0.990 20 0 DCADMM CN(OCC(F)(F)F)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591154511 1167119698 /nfs/dbraw/zinc/11/96/98/1167119698.db2.gz VFLNSXFKBZBMNH-UHFFFAOYSA-N -1 1 316.243 0.757 20 0 DCADMM CN(OCC(F)(F)F)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591154511 1167119704 /nfs/dbraw/zinc/11/97/04/1167119704.db2.gz VFLNSXFKBZBMNH-UHFFFAOYSA-N -1 1 316.243 0.757 20 0 DCADMM CN1CC[C@@H](COC(=O)c2cccc(F)c2-c2nnn[n-]2)C1=O ZINC001591179477 1167132699 /nfs/dbraw/zinc/13/26/99/1167132699.db2.gz QMDCIUYKHKZJIQ-QMMMGPOBSA-N -1 1 319.296 0.641 20 0 DCADMM CN1CC[C@@H](COC(=O)c2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001591179477 1167132705 /nfs/dbraw/zinc/13/27/05/1167132705.db2.gz QMDCIUYKHKZJIQ-QMMMGPOBSA-N -1 1 319.296 0.641 20 0 DCADMM CN(c1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCCN(C)C1=O ZINC001591187593 1167138338 /nfs/dbraw/zinc/13/83/38/1167138338.db2.gz CZVAIMHOFUKABS-GFCCVEGCSA-N -1 1 301.354 0.709 20 0 DCADMM CN(c1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCCN(C)C1=O ZINC001591187593 1167138341 /nfs/dbraw/zinc/13/83/41/1167138341.db2.gz CZVAIMHOFUKABS-GFCCVEGCSA-N -1 1 301.354 0.709 20 0 DCADMM CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001591201942 1167150251 /nfs/dbraw/zinc/15/02/51/1167150251.db2.gz KNBRRGBYSXEGIX-SSDOTTSWSA-N -1 1 307.745 0.487 20 0 DCADMM CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001591201942 1167150255 /nfs/dbraw/zinc/15/02/55/1167150255.db2.gz KNBRRGBYSXEGIX-SSDOTTSWSA-N -1 1 307.745 0.487 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591204123 1167153437 /nfs/dbraw/zinc/15/34/37/1167153437.db2.gz RIHOUMKGBDHTBZ-ZJUUUORDSA-N -1 1 301.354 0.897 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591204123 1167153440 /nfs/dbraw/zinc/15/34/40/1167153440.db2.gz RIHOUMKGBDHTBZ-ZJUUUORDSA-N -1 1 301.354 0.897 20 0 DCADMM CNc1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001591225707 1167166064 /nfs/dbraw/zinc/16/60/64/1167166064.db2.gz ZQNMBUNDZUGBLF-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM CNc1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001591225707 1167166070 /nfs/dbraw/zinc/16/60/70/1167166070.db2.gz ZQNMBUNDZUGBLF-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM COC(=O)[C@@](C)(NC(=O)c1csc(-c2nn[n-]n2)c1)C1CC1 ZINC001591229312 1167168443 /nfs/dbraw/zinc/16/84/43/1167168443.db2.gz QOVFUXALTXMZAT-ZDUSSCGKSA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)[C@]1(C)CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001591243474 1167172046 /nfs/dbraw/zinc/17/20/46/1167172046.db2.gz AJMYOXFXRVUSFT-CQSZACIVSA-N -1 1 317.353 0.745 20 0 DCADMM COC(=O)[C@]1(C)CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591243474 1167172050 /nfs/dbraw/zinc/17/20/50/1167172050.db2.gz AJMYOXFXRVUSFT-CQSZACIVSA-N -1 1 317.353 0.745 20 0 DCADMM COC(=O)[C@@]1(C)CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001591243472 1167173035 /nfs/dbraw/zinc/17/30/35/1167173035.db2.gz AJMYOXFXRVUSFT-AWEZNQCLSA-N -1 1 317.353 0.745 20 0 DCADMM COC(=O)[C@@]1(C)CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591243472 1167173040 /nfs/dbraw/zinc/17/30/40/1167173040.db2.gz AJMYOXFXRVUSFT-AWEZNQCLSA-N -1 1 317.353 0.745 20 0 DCADMM COC(=O)C12CC(C1)CN2C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591246421 1167174832 /nfs/dbraw/zinc/17/48/32/1167174832.db2.gz RIDNNBRWGHVSMY-UHFFFAOYSA-N -1 1 319.346 0.706 20 0 DCADMM COC(=O)C12CC(C1)CN2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591246421 1167174834 /nfs/dbraw/zinc/17/48/34/1167174834.db2.gz RIDNNBRWGHVSMY-UHFFFAOYSA-N -1 1 319.346 0.706 20 0 DCADMM COC(=O)C1=C(C)O[C@@H](COc2cccnc2-c2nnn[n-]2)C1 ZINC001591247743 1167176904 /nfs/dbraw/zinc/17/69/04/1167176904.db2.gz UWLVHGZGTBXTDN-SECBINFHSA-N -1 1 317.305 0.876 20 0 DCADMM COC(=O)C1=C(C)O[C@@H](COc2cccnc2-c2nn[n-]n2)C1 ZINC001591247743 1167176906 /nfs/dbraw/zinc/17/69/06/1167176906.db2.gz UWLVHGZGTBXTDN-SECBINFHSA-N -1 1 317.305 0.876 20 0 DCADMM COC(=O)C[C@H](CNc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001591258123 1167180935 /nfs/dbraw/zinc/18/09/35/1167180935.db2.gz AAXMWUOIQSWEGH-SNVBAGLBSA-N -1 1 302.338 0.685 20 0 DCADMM COC(=O)C[C@H](CNc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001591258123 1167180940 /nfs/dbraw/zinc/18/09/40/1167180940.db2.gz AAXMWUOIQSWEGH-SNVBAGLBSA-N -1 1 302.338 0.685 20 0 DCADMM COC(=O)CCCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001591262788 1167186081 /nfs/dbraw/zinc/18/60/81/1167186081.db2.gz GWFBWQARAAXTCK-UHFFFAOYSA-N -1 1 305.294 0.648 20 0 DCADMM COC(=O)CCCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001591262788 1167186084 /nfs/dbraw/zinc/18/60/84/1167186084.db2.gz GWFBWQARAAXTCK-UHFFFAOYSA-N -1 1 305.294 0.648 20 0 DCADMM COC(=O)C[C@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)CCO1 ZINC001591264039 1167186929 /nfs/dbraw/zinc/18/69/29/1167186929.db2.gz LGYXCVHENRJOTF-JTQLQIEISA-N -1 1 318.337 0.338 20 0 DCADMM COC(=O)C[C@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)CCO1 ZINC001591264039 1167186938 /nfs/dbraw/zinc/18/69/38/1167186938.db2.gz LGYXCVHENRJOTF-JTQLQIEISA-N -1 1 318.337 0.338 20 0 DCADMM COC(=O)NC1CCN(c2cc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001591272648 1167191523 /nfs/dbraw/zinc/19/15/23/1167191523.db2.gz FXWMCCOEGYLBCB-UHFFFAOYSA-N -1 1 317.353 0.895 20 0 DCADMM COC(=O)NC1CCN(c2cc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001591272648 1167191532 /nfs/dbraw/zinc/19/15/32/1167191532.db2.gz FXWMCCOEGYLBCB-UHFFFAOYSA-N -1 1 317.353 0.895 20 0 DCADMM COC(=O)NC1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001591272610 1167192248 /nfs/dbraw/zinc/19/22/48/1167192248.db2.gz DPBOYJIRAZSITE-UHFFFAOYSA-N -1 1 315.746 0.521 20 0 DCADMM COC(=O)NC1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001591272610 1167192253 /nfs/dbraw/zinc/19/22/53/1167192253.db2.gz DPBOYJIRAZSITE-UHFFFAOYSA-N -1 1 315.746 0.521 20 0 DCADMM COC(=O)[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001591282150 1167198291 /nfs/dbraw/zinc/19/82/91/1167198291.db2.gz HZLFISCZVGFNJZ-SDBXPKJASA-N -1 1 303.326 0.292 20 0 DCADMM COC(=O)[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001591282150 1167198296 /nfs/dbraw/zinc/19/82/96/1167198296.db2.gz HZLFISCZVGFNJZ-SDBXPKJASA-N -1 1 303.326 0.292 20 0 DCADMM COC(=O)c1cc(CNc2n[nH]c(C)c2-c2nnn[n-]2)c[nH]1 ZINC001591288394 1167201234 /nfs/dbraw/zinc/20/12/34/1167201234.db2.gz RCIRGZNFCRWHCT-UHFFFAOYSA-N -1 1 302.298 0.625 20 0 DCADMM COC(=O)c1cc(CNc2n[nH]c(C)c2-c2nn[n-]n2)c[nH]1 ZINC001591288394 1167201241 /nfs/dbraw/zinc/20/12/41/1167201241.db2.gz RCIRGZNFCRWHCT-UHFFFAOYSA-N -1 1 302.298 0.625 20 0 DCADMM COC(=O)c1ccc(N[C@@H]2CO[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001591296394 1167203032 /nfs/dbraw/zinc/20/30/32/1167203032.db2.gz VEGHJNNBKYYNLF-YUMQZZPRSA-N -1 1 304.310 0.638 20 0 DCADMM COC(=O)c1ccc(N[C@@H]2CO[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001591296394 1167203038 /nfs/dbraw/zinc/20/30/38/1167203038.db2.gz VEGHJNNBKYYNLF-YUMQZZPRSA-N -1 1 304.310 0.638 20 0 DCADMM COC(=O)c1ccc(NC[C@H]2C[C@@H](O)C2)c(-c2nnn[n-]2)n1 ZINC001591296493 1167204352 /nfs/dbraw/zinc/20/43/52/1167204352.db2.gz QKUJZEDWZQKGPH-OCAPTIKFSA-N -1 1 304.310 0.231 20 0 DCADMM COC(=O)c1ccc(NC[C@H]2C[C@@H](O)C2)c(-c2nn[n-]n2)n1 ZINC001591296493 1167204357 /nfs/dbraw/zinc/20/43/57/1167204357.db2.gz QKUJZEDWZQKGPH-OCAPTIKFSA-N -1 1 304.310 0.231 20 0 DCADMM CO[C@@](C)(CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001591317054 1167212670 /nfs/dbraw/zinc/21/26/70/1167212670.db2.gz CLWNQDMKIGZBEW-HNNXBMFYSA-N -1 1 316.365 0.736 20 0 DCADMM CO[C@@](C)(CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001591317054 1167212676 /nfs/dbraw/zinc/21/26/76/1167212676.db2.gz CLWNQDMKIGZBEW-HNNXBMFYSA-N -1 1 316.365 0.736 20 0 DCADMM CO[C@@]1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCSC1 ZINC001591337232 1167220963 /nfs/dbraw/zinc/22/09/63/1167220963.db2.gz NYXFDAAJBMTULS-JTQLQIEISA-N -1 1 312.380 0.784 20 0 DCADMM CO[C@@]1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCSC1 ZINC001591337232 1167220969 /nfs/dbraw/zinc/22/09/69/1167220969.db2.gz NYXFDAAJBMTULS-JTQLQIEISA-N -1 1 312.380 0.784 20 0 DCADMM COC1(CNC(=O)c2ccsc2-c2nnn[n-]2)CCOCC1 ZINC001591342544 1167223626 /nfs/dbraw/zinc/22/36/26/1167223626.db2.gz NGEYGXZSDYYVTP-UHFFFAOYSA-N -1 1 323.378 0.854 20 0 DCADMM COC1(CNC(=O)c2ccsc2-c2nn[n-]n2)CCOCC1 ZINC001591342544 1167223635 /nfs/dbraw/zinc/22/36/35/1167223635.db2.gz NGEYGXZSDYYVTP-UHFFFAOYSA-N -1 1 323.378 0.854 20 0 DCADMM CO[C@@]1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCSC1 ZINC001591342083 1167223997 /nfs/dbraw/zinc/22/39/97/1167223997.db2.gz HPHIMMJEVZYMIG-CYBMUJFWSA-N -1 1 320.378 0.514 20 0 DCADMM CO[C@@]1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCSC1 ZINC001591342083 1167224001 /nfs/dbraw/zinc/22/40/01/1167224001.db2.gz HPHIMMJEVZYMIG-CYBMUJFWSA-N -1 1 320.378 0.514 20 0 DCADMM CO[C@]1(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CCOC1 ZINC001591342812 1167225135 /nfs/dbraw/zinc/22/51/35/1167225135.db2.gz RFXODMHXFMXRGK-AWEZNQCLSA-N -1 1 321.312 0.541 20 0 DCADMM CO[C@]1(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CCOC1 ZINC001591342812 1167225141 /nfs/dbraw/zinc/22/51/41/1167225141.db2.gz RFXODMHXFMXRGK-AWEZNQCLSA-N -1 1 321.312 0.541 20 0 DCADMM CO[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591347740 1167227066 /nfs/dbraw/zinc/22/70/66/1167227066.db2.gz JJXMGIDNJQITID-NXEZZACHSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591347740 1167227075 /nfs/dbraw/zinc/22/70/75/1167227075.db2.gz JJXMGIDNJQITID-NXEZZACHSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC[C@H]1C ZINC001591360114 1167234660 /nfs/dbraw/zinc/23/46/60/1167234660.db2.gz HSDZOLUCWJLSSG-BXKDBHETSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC[C@H]1C ZINC001591360114 1167234667 /nfs/dbraw/zinc/23/46/67/1167234667.db2.gz HSDZOLUCWJLSSG-BXKDBHETSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H]1C ZINC001591357940 1167234763 /nfs/dbraw/zinc/23/47/63/1167234763.db2.gz QSCUPYXDORBGHX-SCZZXKLOSA-N -1 1 320.357 0.489 20 0 DCADMM CO[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H]1C ZINC001591357940 1167234767 /nfs/dbraw/zinc/23/47/67/1167234767.db2.gz QSCUPYXDORBGHX-SCZZXKLOSA-N -1 1 320.357 0.489 20 0 DCADMM COC[C@H](COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001591377632 1167249472 /nfs/dbraw/zinc/24/94/72/1167249472.db2.gz LFAQSHTWTZEYAJ-VHSXEESVSA-N -1 1 323.357 0.481 20 0 DCADMM COC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@H]1CCCOC1 ZINC001591382029 1167252243 /nfs/dbraw/zinc/25/22/43/1167252243.db2.gz BUAICSRIZWOPJJ-ONGXEEELSA-N -1 1 305.342 0.510 20 0 DCADMM COC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@H]1CCCOC1 ZINC001591382029 1167252249 /nfs/dbraw/zinc/25/22/49/1167252249.db2.gz BUAICSRIZWOPJJ-ONGXEEELSA-N -1 1 305.342 0.510 20 0 DCADMM COC[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001591381382 1167253033 /nfs/dbraw/zinc/25/30/33/1167253033.db2.gz WBSVOGPRNUQWOF-MRVPVSSYSA-N -1 1 317.227 0.996 20 0 DCADMM COC[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001591381382 1167253037 /nfs/dbraw/zinc/25/30/37/1167253037.db2.gz WBSVOGPRNUQWOF-MRVPVSSYSA-N -1 1 317.227 0.996 20 0 DCADMM COCCOC1CN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591434699 1167287057 /nfs/dbraw/zinc/28/70/57/1167287057.db2.gz UCSNMVDRSOXWSC-UHFFFAOYSA-N -1 1 309.351 0.416 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CC[C@@H]1CCCCO1 ZINC001591473778 1167305339 /nfs/dbraw/zinc/30/53/39/1167305339.db2.gz PBHCZBJPHJLAFC-JTQLQIEISA-N -1 1 305.338 0.996 20 0 DCADMM COc1cc(Cl)cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001591538282 1167324739 /nfs/dbraw/zinc/32/47/39/1167324739.db2.gz DGOVHULMJWDPED-UHFFFAOYSA-N -1 1 319.712 0.996 20 0 DCADMM COc1cc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)ncn1 ZINC001591545367 1167328672 /nfs/dbraw/zinc/32/86/72/1167328672.db2.gz GJZVWWNXQFXBBO-UHFFFAOYSA-N -1 1 301.266 0.819 20 0 DCADMM COc1cc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)ncn1 ZINC001591545367 1167328674 /nfs/dbraw/zinc/32/86/74/1167328674.db2.gz GJZVWWNXQFXBBO-UHFFFAOYSA-N -1 1 301.266 0.819 20 0 DCADMM COc1ccnc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001591656497 1167344630 /nfs/dbraw/zinc/34/46/30/1167344630.db2.gz QPBAHXAWGVFIIZ-SSDOTTSWSA-N -1 1 315.297 0.062 20 0 DCADMM COc1ncc(NC(=O)NCC[C@@H](C)OC)cc1-c1nn[n-]n1 ZINC001591665964 1167345369 /nfs/dbraw/zinc/34/53/69/1167345369.db2.gz XUPPKGKGKNAIPA-MRVPVSSYSA-N -1 1 321.341 0.817 20 0 DCADMM COc1ncc(NC(=O)c2ccns2)cc1-c1nn[n-]n1 ZINC001591668388 1167346147 /nfs/dbraw/zinc/34/61/47/1167346147.db2.gz ZHOHKWZKNGQHCW-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1nnccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591670220 1167346759 /nfs/dbraw/zinc/34/67/59/1167346759.db2.gz ACEKDQZYOBYHRQ-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1nnccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591670220 1167346764 /nfs/dbraw/zinc/34/67/64/1167346764.db2.gz ACEKDQZYOBYHRQ-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM C[S@@](=O)C1(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001591683066 1167351107 /nfs/dbraw/zinc/35/11/07/1167351107.db2.gz RTUXGPGQXDPRQI-JOCHJYFZSA-N -1 1 323.353 0.647 20 0 DCADMM C[S@@](=O)C1(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001591683066 1167351111 /nfs/dbraw/zinc/35/11/11/1167351111.db2.gz RTUXGPGQXDPRQI-JOCHJYFZSA-N -1 1 323.353 0.647 20 0 DCADMM C[S@](=O)c1nncn1-c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591683572 1167353355 /nfs/dbraw/zinc/35/33/55/1167353355.db2.gz GNZSTIPASSSLIV-IBGZPJMESA-N -1 1 316.759 0.295 20 0 DCADMM CSCC(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001591691807 1167356996 /nfs/dbraw/zinc/35/69/96/1167356996.db2.gz OFAUKVHQUZOZRO-UHFFFAOYSA-N -1 1 324.435 0.940 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CCC1 ZINC001591764277 1167369602 /nfs/dbraw/zinc/36/96/02/1167369602.db2.gz HFMCZIZUTDKWTC-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CCC1 ZINC001591764277 1167369606 /nfs/dbraw/zinc/36/96/06/1167369606.db2.gz HFMCZIZUTDKWTC-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H]1[C@@H](O)CCCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591776073 1167374208 /nfs/dbraw/zinc/37/42/08/1167374208.db2.gz RIPYUTGCCLXTFC-KWQFWETISA-N -1 1 301.354 0.884 20 0 DCADMM C[C@H]1[C@@H](O)CCCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591776073 1167374213 /nfs/dbraw/zinc/37/42/13/1167374213.db2.gz RIPYUTGCCLXTFC-KWQFWETISA-N -1 1 301.354 0.884 20 0 DCADMM Cc1c(CN(C)C(=O)c2cccc(-c3nnn[n-]3)n2)cnn1C ZINC001591818191 1167386866 /nfs/dbraw/zinc/38/68/66/1167386866.db2.gz CXELUXANIIBCMP-UHFFFAOYSA-N -1 1 312.337 0.576 20 0 DCADMM Cc1c(CN(C)C(=O)c2cccc(-c3nn[n-]n3)n2)cnn1C ZINC001591818191 1167386871 /nfs/dbraw/zinc/38/68/71/1167386871.db2.gz CXELUXANIIBCMP-UHFFFAOYSA-N -1 1 312.337 0.576 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCOC[C@H]2CCCO2)c1 ZINC001591836590 1167390859 /nfs/dbraw/zinc/39/08/59/1167390859.db2.gz CJZKJOOUJRMAAR-LLVKDONJSA-N -1 1 305.338 0.532 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(C(C)C)no2)c1 ZINC001591836940 1167390974 /nfs/dbraw/zinc/39/09/74/1167390974.db2.gz OVMTVYIUNCMMEC-UHFFFAOYSA-N -1 1 301.310 0.892 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCC[C@H]2O)n1 ZINC001591883236 1167408406 /nfs/dbraw/zinc/40/84/06/1167408406.db2.gz DBTIHIJRUBHMFO-ZYHUDNBSSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCC[C@H]2O)n1 ZINC001591883236 1167408410 /nfs/dbraw/zinc/40/84/10/1167408410.db2.gz DBTIHIJRUBHMFO-ZYHUDNBSSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCS(=O)CC2)n1 ZINC001591882115 1167409697 /nfs/dbraw/zinc/40/96/97/1167409697.db2.gz CZVIQXGVWYQTJY-UHFFFAOYSA-N -1 1 307.383 0.312 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCS(=O)CC2)n1 ZINC001591882115 1167409698 /nfs/dbraw/zinc/40/96/98/1167409698.db2.gz CZVIQXGVWYQTJY-UHFFFAOYSA-N -1 1 307.383 0.312 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2Cc3cncnc3[C@@H](C)C2)n1 ZINC001591891647 1167413854 /nfs/dbraw/zinc/41/38/54/1167413854.db2.gz RUYPWWNIPUEWPP-QMMMGPOBSA-N -1 1 309.337 0.879 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2Cc3cncnc3[C@@H](C)C2)n1 ZINC001591891647 1167413855 /nfs/dbraw/zinc/41/38/55/1167413855.db2.gz RUYPWWNIPUEWPP-QMMMGPOBSA-N -1 1 309.337 0.879 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2C(N)=O)n1 ZINC001591892836 1167414119 /nfs/dbraw/zinc/41/41/19/1167414119.db2.gz QKTHLLNHZQPHDF-RKDXNWHRSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2C(N)=O)n1 ZINC001591892836 1167414121 /nfs/dbraw/zinc/41/41/21/1167414121.db2.gz QKTHLLNHZQPHDF-RKDXNWHRSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)sn1 ZINC001591976949 1167428113 /nfs/dbraw/zinc/42/81/13/1167428113.db2.gz FJFWONTXEHOWEO-UHFFFAOYSA-N -1 1 303.351 0.853 20 0 DCADMM Cc1cc(CNCc2cnc3c(-c4nnn[n-]4)cnn3c2)no1 ZINC001591968321 1167428599 /nfs/dbraw/zinc/42/85/99/1167428599.db2.gz FNBTULPIOVCOGR-UHFFFAOYSA-N -1 1 311.309 0.496 20 0 DCADMM Cc1cc(CNCc2cnc3c(-c4nn[n-]n4)cnn3c2)no1 ZINC001591968321 1167428606 /nfs/dbraw/zinc/42/86/06/1167428606.db2.gz FNBTULPIOVCOGR-UHFFFAOYSA-N -1 1 311.309 0.496 20 0 DCADMM Cc1cc(NC[C@H](CO)[C@@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592042024 1167443357 /nfs/dbraw/zinc/44/33/57/1167443357.db2.gz SNCYCHABCYVKJE-GHMZBOCLSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(NC[C@H](CO)[C@@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592042024 1167443361 /nfs/dbraw/zinc/44/33/61/1167443361.db2.gz SNCYCHABCYVKJE-GHMZBOCLSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(NC[C@@H](O)C2CCOCC2)nc(-c2nnn[n-]2)c1 ZINC001592041562 1167444582 /nfs/dbraw/zinc/44/45/82/1167444582.db2.gz FTDZGRIJNWLVPR-GFCCVEGCSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1cc(NC[C@@H](O)C2CCOCC2)nc(-c2nn[n-]n2)c1 ZINC001592041562 1167444591 /nfs/dbraw/zinc/44/45/91/1167444591.db2.gz FTDZGRIJNWLVPR-GFCCVEGCSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1cc(NC[C@@H]2CCCN(C(N)=O)C2)nc(-c2nnn[n-]2)c1 ZINC001592043283 1167445244 /nfs/dbraw/zinc/44/52/44/1167445244.db2.gz DVYMGMHCMDMOMF-JTQLQIEISA-N -1 1 316.369 0.773 20 0 DCADMM Cc1cc(NC[C@@H]2CCCN(C(N)=O)C2)nc(-c2nn[n-]n2)c1 ZINC001592043283 1167445247 /nfs/dbraw/zinc/44/52/47/1167445247.db2.gz DVYMGMHCMDMOMF-JTQLQIEISA-N -1 1 316.369 0.773 20 0 DCADMM Cc1cc([C@H](C)OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)no1 ZINC001592067756 1167449443 /nfs/dbraw/zinc/44/94/43/1167449443.db2.gz BPRKYVBJOYSAHG-SFYZADRCSA-N -1 1 318.297 0.620 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](O)c1ccnn1C ZINC001592114049 1167458159 /nfs/dbraw/zinc/45/81/59/1167458159.db2.gz MVQNWWRMJQTULI-LLVKDONJSA-N -1 1 300.326 0.449 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CC[C@H](C)[S@](=O)CC1 ZINC001592109751 1167458601 /nfs/dbraw/zinc/45/86/01/1167458601.db2.gz AGFHMFYHXKHQBX-CHNSCGDPSA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](C)[S@](=O)CC1 ZINC001592109751 1167458606 /nfs/dbraw/zinc/45/86/06/1167458606.db2.gz AGFHMFYHXKHQBX-CHNSCGDPSA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(C=CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC001592144122 1167463559 /nfs/dbraw/zinc/46/35/59/1167463559.db2.gz MVDRNCUJMXXSQL-WAYWQWQTSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1ccc(C=CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC001592144122 1167463565 /nfs/dbraw/zinc/46/35/65/1167463565.db2.gz MVDRNCUJMXXSQL-WAYWQWQTSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1ccc([C@H](O)CNC(=O)c2coc(-c3nnn[n-]3)c2)o1 ZINC001592137217 1167463887 /nfs/dbraw/zinc/46/38/87/1167463887.db2.gz DXICIMNSGRCLGQ-SECBINFHSA-N -1 1 303.278 0.825 20 0 DCADMM Cc1ccc([C@H](O)CNC(=O)c2coc(-c3nn[n-]n3)c2)o1 ZINC001592137217 1167463899 /nfs/dbraw/zinc/46/38/99/1167463899.db2.gz DXICIMNSGRCLGQ-SECBINFHSA-N -1 1 303.278 0.825 20 0 DCADMM Cc1ccc(N2CCO[C@H]([C@H]3CCCO3)C2)nc1-c1nnn[n-]1 ZINC001592175092 1167468578 /nfs/dbraw/zinc/46/85/78/1167468578.db2.gz GRWQCKVQTNQHTQ-NEPJUHHUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@H]([C@H]3CCCO3)C2)nc1-c1nn[n-]n1 ZINC001592175092 1167468581 /nfs/dbraw/zinc/46/85/81/1167468581.db2.gz GRWQCKVQTNQHTQ-NEPJUHHUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(NC[C@H](CO)[C@@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592183554 1167469804 /nfs/dbraw/zinc/46/98/04/1167469804.db2.gz UATRYVIVRNCFPX-GHMZBOCLSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(NC[C@H](CO)[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592183554 1167469808 /nfs/dbraw/zinc/46/98/08/1167469808.db2.gz UATRYVIVRNCFPX-GHMZBOCLSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cccc(C[C@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001592230609 1167477377 /nfs/dbraw/zinc/47/73/77/1167477377.db2.gz YSVKXOZDNWJSOS-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1cccc(C[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001592230609 1167477384 /nfs/dbraw/zinc/47/73/84/1167477384.db2.gz YSVKXOZDNWJSOS-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccn(Cc2ccc(Cl)nn2)c(=O)c1-c1nn[n-]n1 ZINC001592265536 1167480442 /nfs/dbraw/zinc/48/04/42/1167480442.db2.gz FCPXYQNECMFKQI-UHFFFAOYSA-N -1 1 303.713 0.829 20 0 DCADMM Cc1ccn(CC(=O)OCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592265785 1167480704 /nfs/dbraw/zinc/48/07/04/1167480704.db2.gz GLGVAROUHMSIRX-UHFFFAOYSA-N -1 1 305.323 0.572 20 0 DCADMM Cc1ccn(CC(=O)OCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592265785 1167480705 /nfs/dbraw/zinc/48/07/05/1167480705.db2.gz GLGVAROUHMSIRX-UHFFFAOYSA-N -1 1 305.323 0.572 20 0 DCADMM Cc1cncc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592300173 1167485677 /nfs/dbraw/zinc/48/56/77/1167485677.db2.gz NTSXVKKQLQQUPR-SECBINFHSA-N -1 1 314.309 0.466 20 0 DCADMM Cc1[nH]nc(NC(=O)CCOC2CCOCC2)c1-c1nn[n-]n1 ZINC001592327298 1167488443 /nfs/dbraw/zinc/48/84/43/1167488443.db2.gz BXHJTKGVNBKMQT-UHFFFAOYSA-N -1 1 321.341 0.422 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H](C)C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001592327185 1167488649 /nfs/dbraw/zinc/48/86/49/1167488649.db2.gz FGGJSTJEFVZWFC-LURJTMIESA-N -1 1 321.341 0.815 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)c1-c1nn[n-]n1 ZINC001592327103 1167489350 /nfs/dbraw/zinc/48/93/50/1167489350.db2.gz CBJAYEZTDIRIPJ-SFYZADRCSA-N -1 1 318.341 0.128 20 0 DCADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N(C)C#N)CC2)o1 ZINC001592335909 1167494381 /nfs/dbraw/zinc/49/43/81/1167494381.db2.gz MPUHHVWHWTXUKW-UHFFFAOYSA-N -1 1 316.325 0.319 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1 ZINC001592341671 1167496134 /nfs/dbraw/zinc/49/61/34/1167496134.db2.gz ZIZDJVBZTFNIIC-YMTOWFKASA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1 ZINC001592341671 1167496136 /nfs/dbraw/zinc/49/61/36/1167496136.db2.gz ZIZDJVBZTFNIIC-YMTOWFKASA-N -1 1 317.353 0.349 20 0 DCADMM Cc1ncccc1CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592417907 1167516807 /nfs/dbraw/zinc/51/68/07/1167516807.db2.gz XGJGHRXQAIAYKP-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1ncccc1CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592417907 1167516812 /nfs/dbraw/zinc/51/68/12/1167516812.db2.gz XGJGHRXQAIAYKP-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1nn(C)c(NC(=O)CSC(F)F)c1-c1nnn[n-]1 ZINC001592434051 1167521173 /nfs/dbraw/zinc/52/11/73/1167521173.db2.gz OGBFEELACHWTNV-UHFFFAOYSA-N -1 1 303.298 0.803 20 0 DCADMM Cc1nn(C)c(NC(=O)CSC(F)F)c1-c1nn[n-]n1 ZINC001592434051 1167521176 /nfs/dbraw/zinc/52/11/76/1167521176.db2.gz OGBFEELACHWTNV-UHFFFAOYSA-N -1 1 303.298 0.803 20 0 DCADMM Cc1n[nH]nc1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001592438018 1167522328 /nfs/dbraw/zinc/52/23/28/1167522328.db2.gz OZYCCBHKXAMACK-UHFFFAOYSA-N -1 1 305.689 0.594 20 0 DCADMM Cc1nn(CC(=O)c2cccn2C)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438645 1167522671 /nfs/dbraw/zinc/52/26/71/1167522671.db2.gz IVXDMJDDLJYYOI-UHFFFAOYSA-N -1 1 313.321 0.262 20 0 DCADMM Cc1nn(CCOCC(F)F)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437318 1167523183 /nfs/dbraw/zinc/52/31/83/1167523183.db2.gz SBXIOFITJWRBQB-UHFFFAOYSA-N -1 1 300.269 0.322 20 0 DCADMM Cc1nn(C[C@@H]2C[C@H]3CCC[C@H]3O2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436680 1167523329 /nfs/dbraw/zinc/52/33/29/1167523329.db2.gz ZFCYMNNMLQFGSP-GRYCIOLGSA-N -1 1 316.365 0.998 20 0 DCADMM Cc1nnc(Cn2cc(-c3nn[n-]n3)c3ccsc3c2=O)o1 ZINC001592444448 1167527405 /nfs/dbraw/zinc/52/74/05/1167527405.db2.gz XMSYXTWYZSSDPD-UHFFFAOYSA-N -1 1 315.318 0.983 20 0 DCADMM Cc1nnc2ccc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)cn12 ZINC001592450358 1167528021 /nfs/dbraw/zinc/52/80/21/1167528021.db2.gz KIIJAWLYRYYJFY-UHFFFAOYSA-N -1 1 310.281 0.193 20 0 DCADMM Cc1nnc2ccc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)cn12 ZINC001592450358 1167528026 /nfs/dbraw/zinc/52/80/26/1167528026.db2.gz KIIJAWLYRYYJFY-UHFFFAOYSA-N -1 1 310.281 0.193 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)c1-c1nnn[n-]1 ZINC001592483488 1167538294 /nfs/dbraw/zinc/53/82/94/1167538294.db2.gz LBZDXNCSSMGCJK-BDINMYNLSA-N -1 1 307.339 0.398 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)c1-c1nn[n-]n1 ZINC001592483488 1167538299 /nfs/dbraw/zinc/53/82/99/1167538299.db2.gz LBZDXNCSSMGCJK-BDINMYNLSA-N -1 1 307.339 0.398 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC001592501274 1167540923 /nfs/dbraw/zinc/54/09/23/1167540923.db2.gz FJBOQQBTENTPED-WDEREUQCSA-N -1 1 303.322 0.923 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC001592501274 1167540928 /nfs/dbraw/zinc/54/09/28/1167540928.db2.gz FJBOQQBTENTPED-WDEREUQCSA-N -1 1 303.322 0.923 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](O)c1ccncc1 ZINC001592503762 1167544440 /nfs/dbraw/zinc/54/44/40/1167544440.db2.gz YXUCYCYZRORYPM-LLVKDONJSA-N -1 1 314.305 0.627 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](O)c1ccncc1 ZINC001592503762 1167544447 /nfs/dbraw/zinc/54/44/47/1167544447.db2.gz YXUCYCYZRORYPM-LLVKDONJSA-N -1 1 314.305 0.627 20 0 DCADMM Cc1onc(CC(=O)NC(C)(C)c2ncc[nH]2)c1-c1nnn[n-]1 ZINC001592515508 1167544529 /nfs/dbraw/zinc/54/45/29/1167544529.db2.gz DHXKQEYQLKOGOM-UHFFFAOYSA-N -1 1 316.325 0.480 20 0 DCADMM Cc1onc(CC(=O)NC(C)(C)c2ncc[nH]2)c1-c1nn[n-]n1 ZINC001592515508 1167544536 /nfs/dbraw/zinc/54/45/36/1167544536.db2.gz DHXKQEYQLKOGOM-UHFFFAOYSA-N -1 1 316.325 0.480 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCOC[C@@H]2C)c1-c1nnn[n-]1 ZINC001592516804 1167546784 /nfs/dbraw/zinc/54/67/84/1167546784.db2.gz ACCZTTYHCZSYLA-WCBMZHEXSA-N -1 1 320.353 0.494 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCOC[C@@H]2C)c1-c1nn[n-]n1 ZINC001592516804 1167546788 /nfs/dbraw/zinc/54/67/88/1167546788.db2.gz ACCZTTYHCZSYLA-WCBMZHEXSA-N -1 1 320.353 0.494 20 0 DCADMM Clc1cc2c(nn1)CN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001592527598 1167549222 /nfs/dbraw/zinc/54/92/22/1167549222.db2.gz ZUDMDECTDNLHSS-UHFFFAOYSA-N -1 1 315.728 0.663 20 0 DCADMM Clc1cc2c(nn1)CN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001592527598 1167549230 /nfs/dbraw/zinc/54/92/30/1167549230.db2.gz ZUDMDECTDNLHSS-UHFFFAOYSA-N -1 1 315.728 0.663 20 0 DCADMM Cn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001592542581 1167549626 /nfs/dbraw/zinc/54/96/26/1167549626.db2.gz IVDHRDFYQGEPOL-IUCAKERBSA-N -1 1 324.352 0.298 20 0 DCADMM Cn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001592542581 1167549633 /nfs/dbraw/zinc/54/96/33/1167549633.db2.gz IVDHRDFYQGEPOL-IUCAKERBSA-N -1 1 324.352 0.298 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC3(CCO3)CC2)n1 ZINC001592559313 1167557069 /nfs/dbraw/zinc/55/70/69/1167557069.db2.gz JBJPZPIFYRPGCD-UHFFFAOYSA-N -1 1 318.341 0.387 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC3(CCO3)CC2)n1 ZINC001592559313 1167557077 /nfs/dbraw/zinc/55/70/77/1167557077.db2.gz JBJPZPIFYRPGCD-UHFFFAOYSA-N -1 1 318.341 0.387 20 0 DCADMM Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592578128 1167568661 /nfs/dbraw/zinc/56/86/61/1167568661.db2.gz ZIOKQHHNZZRRJU-NSHDSACASA-N -1 1 324.348 0.803 20 0 DCADMM Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592578128 1167568666 /nfs/dbraw/zinc/56/86/66/1167568666.db2.gz ZIOKQHHNZZRRJU-NSHDSACASA-N -1 1 324.348 0.803 20 0 DCADMM Cn1cncc1Cc1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592590143 1167574201 /nfs/dbraw/zinc/57/42/01/1167574201.db2.gz MGHQHPBOCHVZKH-UHFFFAOYSA-N -1 1 309.293 0.636 20 0 DCADMM Cn1ncc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1=O ZINC001592600900 1167578515 /nfs/dbraw/zinc/57/85/15/1167578515.db2.gz HQSILFLMLUYMRZ-UHFFFAOYSA-N -1 1 303.307 0.274 20 0 DCADMM Cn1ncc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1=O ZINC001592600900 1167578520 /nfs/dbraw/zinc/57/85/20/1167578520.db2.gz HQSILFLMLUYMRZ-UHFFFAOYSA-N -1 1 303.307 0.274 20 0 DCADMM Fc1ccc(OCc2nnnn2C2CC2)c(-c2nn[n-]n2)n1 ZINC001592652900 1167590074 /nfs/dbraw/zinc/59/00/74/1167590074.db2.gz ZMEBGOKYVCMADZ-UHFFFAOYSA-N -1 1 303.261 0.301 20 0 DCADMM NC(=O)[C@H]1CC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592720478 1167611464 /nfs/dbraw/zinc/61/14/64/1167611464.db2.gz HLLKODWAPWZKEB-YUMQZZPRSA-N -1 1 306.351 0.056 20 0 DCADMM NC(=O)[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001592734340 1167619964 /nfs/dbraw/zinc/61/99/64/1167619964.db2.gz GALSWYVKLZAMLE-ZKCHVHJHSA-N -1 1 300.326 0.210 20 0 DCADMM NC(=O)[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001592734340 1167619981 /nfs/dbraw/zinc/61/99/81/1167619981.db2.gz GALSWYVKLZAMLE-ZKCHVHJHSA-N -1 1 300.326 0.210 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(C(F)(F)F)n1 ZINC001592752934 1167631839 /nfs/dbraw/zinc/63/18/39/1167631839.db2.gz HWBZJMMYOAQKTQ-UHFFFAOYSA-N -1 1 324.226 0.748 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCOc2ccccc21 ZINC001592754500 1167632738 /nfs/dbraw/zinc/63/27/38/1167632738.db2.gz OEUMFSDMOGQNHV-SECBINFHSA-N -1 1 311.305 0.852 20 0 DCADMM Nc1cc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)ncn1 ZINC001592759356 1167636713 /nfs/dbraw/zinc/63/67/13/1167636713.db2.gz XAZPRQVYAFFEQA-UHFFFAOYSA-N -1 1 308.265 0.351 20 0 DCADMM Nc1cc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)ncn1 ZINC001592759356 1167636716 /nfs/dbraw/zinc/63/67/16/1167636716.db2.gz XAZPRQVYAFFEQA-UHFFFAOYSA-N -1 1 308.265 0.351 20 0 DCADMM O=C(/C=C/C1CCCC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592790112 1167643184 /nfs/dbraw/zinc/64/31/84/1167643184.db2.gz GYRLAESRRCXAGD-AATRIKPKSA-N -1 1 302.342 0.321 20 0 DCADMM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592819167 1167645759 /nfs/dbraw/zinc/64/57/59/1167645759.db2.gz YKHLZWSTCBJRIO-PSASIEDQSA-N -1 1 303.326 0.876 20 0 DCADMM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592819167 1167645762 /nfs/dbraw/zinc/64/57/62/1167645762.db2.gz YKHLZWSTCBJRIO-PSASIEDQSA-N -1 1 303.326 0.876 20 0 DCADMM O=C(C[C@H]1CCOC1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592826078 1167647237 /nfs/dbraw/zinc/64/72/37/1167647237.db2.gz FMKWDEOKETXKNF-SSDOTTSWSA-N -1 1 303.326 0.832 20 0 DCADMM O=C(CCOC[C@H]1CCCO1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592848559 1167648690 /nfs/dbraw/zinc/64/86/90/1167648690.db2.gz REGCFKLPMHZZGP-MRVPVSSYSA-N -1 1 307.314 0.114 20 0 DCADMM O=C(CCOC[C@H]1CCCO1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592848559 1167648696 /nfs/dbraw/zinc/64/86/96/1167648696.db2.gz REGCFKLPMHZZGP-MRVPVSSYSA-N -1 1 307.314 0.114 20 0 DCADMM O=C(COC(F)(F)F)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592886236 1167657519 /nfs/dbraw/zinc/65/75/19/1167657519.db2.gz XUHQZADFBAHTJP-UHFFFAOYSA-N -1 1 317.231 0.942 20 0 DCADMM O=C(C[C@@H]1C[C@H]1C1CC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592907418 1167660885 /nfs/dbraw/zinc/66/08/85/1167660885.db2.gz FTSOGQMDVXHGOX-UWVGGRQHSA-N -1 1 302.342 0.011 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCC[C@H]1CCOC1 ZINC001592913761 1167663576 /nfs/dbraw/zinc/66/35/76/1167663576.db2.gz GFJCGXSASZNKQE-NSHDSACASA-N -1 1 316.365 0.737 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCC[C@H]1CCOC1 ZINC001592913761 1167663578 /nfs/dbraw/zinc/66/35/78/1167663578.db2.gz GFJCGXSASZNKQE-NSHDSACASA-N -1 1 316.365 0.737 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCCOC(F)F ZINC001592914231 1167663597 /nfs/dbraw/zinc/66/35/97/1167663597.db2.gz RWOKRHUZAFXWRC-UHFFFAOYSA-N -1 1 312.280 0.550 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCCOC(F)F ZINC001592914231 1167663608 /nfs/dbraw/zinc/66/36/08/1167663608.db2.gz RWOKRHUZAFXWRC-UHFFFAOYSA-N -1 1 312.280 0.550 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCC1CCOCC1 ZINC001592913601 1167663930 /nfs/dbraw/zinc/66/39/30/1167663930.db2.gz CWHZPXCBGVCRKF-UHFFFAOYSA-N -1 1 316.365 0.737 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCC1CCOCC1 ZINC001592913601 1167663935 /nfs/dbraw/zinc/66/39/35/1167663935.db2.gz CWHZPXCBGVCRKF-UHFFFAOYSA-N -1 1 316.365 0.737 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@@](O)(C(F)F)C1 ZINC001592913488 1167664087 /nfs/dbraw/zinc/66/40/87/1167664087.db2.gz JQVPOSYVZFRBFH-ZDUSSCGKSA-N -1 1 324.291 0.033 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@@](O)(C(F)F)C1 ZINC001592913488 1167664090 /nfs/dbraw/zinc/66/40/90/1167664090.db2.gz JQVPOSYVZFRBFH-ZDUSSCGKSA-N -1 1 324.291 0.033 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@@H]1CCCC1=O ZINC001592914197 1167664110 /nfs/dbraw/zinc/66/41/10/1167664110.db2.gz RAGWLLVIPPQWGS-JTQLQIEISA-N -1 1 300.322 0.290 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@@H]1CCCC1=O ZINC001592914197 1167664114 /nfs/dbraw/zinc/66/41/14/1167664114.db2.gz RAGWLLVIPPQWGS-JTQLQIEISA-N -1 1 300.322 0.290 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCCO[C@H]1CCOC1 ZINC001592914952 1167665993 /nfs/dbraw/zinc/66/59/93/1167665993.db2.gz NYSKLFWQYKDUMW-NSHDSACASA-N -1 1 319.321 0.153 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCCO[C@H]1CCOC1 ZINC001592914952 1167665996 /nfs/dbraw/zinc/66/59/96/1167665996.db2.gz NYSKLFWQYKDUMW-NSHDSACASA-N -1 1 319.321 0.153 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O)N1CCC1 ZINC001592936229 1167667488 /nfs/dbraw/zinc/66/74/88/1167667488.db2.gz IUOJNXJFOSGZTN-UHFFFAOYSA-N -1 1 310.317 0.414 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O)N1CCCC1 ZINC001592936444 1167667844 /nfs/dbraw/zinc/66/78/44/1167667844.db2.gz MHOJVXZYBCFVTR-UHFFFAOYSA-N -1 1 324.344 0.804 20 0 DCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)[C@H]1Cc2ccccc21 ZINC001592937562 1167667876 /nfs/dbraw/zinc/66/78/76/1167667876.db2.gz DQXFQKJKSBUXTD-ZDUSSCGKSA-N -1 1 307.313 0.937 20 0 DCADMM O=C(NC1(CCO)CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001592956307 1167674072 /nfs/dbraw/zinc/67/40/72/1167674072.db2.gz ATFSEWCKKIVJCG-UHFFFAOYSA-N -1 1 302.338 0.687 20 0 DCADMM O=C(NC1(CCO)CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001592956307 1167674077 /nfs/dbraw/zinc/67/40/77/1167674077.db2.gz ATFSEWCKKIVJCG-UHFFFAOYSA-N -1 1 302.338 0.687 20 0 DCADMM O=C(N[C@@H](CO)CC(F)(F)F)c1ccsc1-c1nnn[n-]1 ZINC001592953895 1167674773 /nfs/dbraw/zinc/67/47/73/1167674773.db2.gz RRYMTXFZXSHDMR-RXMQYKEDSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(N[C@@H](CO)CC(F)(F)F)c1ccsc1-c1nn[n-]n1 ZINC001592953895 1167674775 /nfs/dbraw/zinc/67/47/75/1167674775.db2.gz RRYMTXFZXSHDMR-RXMQYKEDSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(NC[C@H](CO)[C@@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001593006593 1167685891 /nfs/dbraw/zinc/68/58/91/1167685891.db2.gz PMPSXYHMKLNWMC-PSASIEDQSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NCC[C@@]1(O)CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593059333 1167694496 /nfs/dbraw/zinc/69/44/96/1167694496.db2.gz BUYSAWIUISJUOL-ZDUSSCGKSA-N -1 1 323.378 0.590 20 0 DCADMM O=C(NCC[C@@]1(O)CCCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593059333 1167694501 /nfs/dbraw/zinc/69/45/01/1167694501.db2.gz BUYSAWIUISJUOL-ZDUSSCGKSA-N -1 1 323.378 0.590 20 0 DCADMM O=C(NCCCNc1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001593076012 1167696576 /nfs/dbraw/zinc/69/65/76/1167696576.db2.gz ROJRBMPMEQTJHE-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(NCCCNc1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001593076012 1167696580 /nfs/dbraw/zinc/69/65/80/1167696580.db2.gz ROJRBMPMEQTJHE-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(NCCCNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001593076206 1167697400 /nfs/dbraw/zinc/69/74/00/1167697400.db2.gz XBTCVDCYUUSZQP-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(NCCCNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001593076206 1167697409 /nfs/dbraw/zinc/69/74/09/1167697409.db2.gz XBTCVDCYUUSZQP-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(NCCCNc1cnc(-c2nnn[n-]2)cn1)C1=CCCC1 ZINC001593075355 1167697868 /nfs/dbraw/zinc/69/78/68/1167697868.db2.gz KXQFQGGRZRYQQY-UHFFFAOYSA-N -1 1 314.353 0.685 20 0 DCADMM O=C(NCCCNc1cnc(-c2nn[n-]n2)cn1)C1=CCCC1 ZINC001593075355 1167697872 /nfs/dbraw/zinc/69/78/72/1167697872.db2.gz KXQFQGGRZRYQQY-UHFFFAOYSA-N -1 1 314.353 0.685 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)[C@H]1CC=CCC1 ZINC001593095611 1167704805 /nfs/dbraw/zinc/70/48/05/1167704805.db2.gz ILMWHBDSTHLGRK-JTQLQIEISA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)[C@H]1CC=CCC1 ZINC001593095611 1167704815 /nfs/dbraw/zinc/70/48/15/1167704815.db2.gz ILMWHBDSTHLGRK-JTQLQIEISA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCc1nccs1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593107243 1167710147 /nfs/dbraw/zinc/71/01/47/1167710147.db2.gz XRWWGOLZYMVYEO-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM O=C(NCCc1nccs1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593107243 1167710154 /nfs/dbraw/zinc/71/01/54/1167710154.db2.gz XRWWGOLZYMVYEO-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1cccc2c1CCC2 ZINC001593111926 1167712468 /nfs/dbraw/zinc/71/24/68/1167712468.db2.gz DBFJQDUVQHOQII-UHFFFAOYSA-N -1 1 324.348 0.377 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ncnc2[nH]ccc21 ZINC001593147919 1167723410 /nfs/dbraw/zinc/72/34/10/1167723410.db2.gz KGZWQIVBBIQZAE-UHFFFAOYSA-N -1 1 321.304 0.415 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ncnc2[nH]ccc21 ZINC001593147919 1167723416 /nfs/dbraw/zinc/72/34/16/1167723416.db2.gz KGZWQIVBBIQZAE-UHFFFAOYSA-N -1 1 321.304 0.415 20 0 DCADMM O=C(NCc1ccccc1CO)c1cccc(-c2nnn[n-]2)n1 ZINC001593145471 1167723585 /nfs/dbraw/zinc/72/35/85/1167723585.db2.gz OPQOISZCIAFRLZ-UHFFFAOYSA-N -1 1 310.317 0.684 20 0 DCADMM O=C(NCc1ccccc1CO)c1cccc(-c2nn[n-]n2)n1 ZINC001593145471 1167723591 /nfs/dbraw/zinc/72/35/91/1167723591.db2.gz OPQOISZCIAFRLZ-UHFFFAOYSA-N -1 1 310.317 0.684 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@@H]1CCOC1 ZINC001593151479 1167727184 /nfs/dbraw/zinc/72/71/84/1167727184.db2.gz YSHMAKIMIPCFHC-ZETCQYMHSA-N -1 1 309.355 0.159 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@@H]1CCOC1 ZINC001593151479 1167727193 /nfs/dbraw/zinc/72/71/93/1167727193.db2.gz YSHMAKIMIPCFHC-ZETCQYMHSA-N -1 1 309.355 0.159 20 0 DCADMM O=C(NCc1nnc(C2CC2)o1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593154057 1167728325 /nfs/dbraw/zinc/72/83/25/1167728325.db2.gz UDZNQRLXJQUJMJ-UHFFFAOYSA-N -1 1 312.293 0.452 20 0 DCADMM O=C(NCc1nnc(C2CC2)o1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593154057 1167728339 /nfs/dbraw/zinc/72/83/39/1167728339.db2.gz UDZNQRLXJQUJMJ-UHFFFAOYSA-N -1 1 312.293 0.452 20 0 DCADMM O=C(NCc1nc(C2CC2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593152549 1167730099 /nfs/dbraw/zinc/73/00/99/1167730099.db2.gz FVGLSENAESRVBY-UHFFFAOYSA-N -1 1 312.293 0.452 20 0 DCADMM O=C(NCc1nc(C2CC2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593152549 1167730103 /nfs/dbraw/zinc/73/01/03/1167730103.db2.gz FVGLSENAESRVBY-UHFFFAOYSA-N -1 1 312.293 0.452 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@](F)(CO)C1 ZINC001593254347 1167743192 /nfs/dbraw/zinc/74/31/92/1167743192.db2.gz VAZNDIOWGPPTII-GFCCVEGCSA-N -1 1 307.289 0.200 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@](F)(CO)C1 ZINC001593254347 1167743198 /nfs/dbraw/zinc/74/31/98/1167743198.db2.gz VAZNDIOWGPPTII-GFCCVEGCSA-N -1 1 307.289 0.200 20 0 DCADMM O=C(Nc1cnn(-c2ncccn2)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593259683 1167747019 /nfs/dbraw/zinc/74/70/19/1167747019.db2.gz WLBAKIPWYUPBDI-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CC12CC(O)C2 ZINC001593255796 1167747128 /nfs/dbraw/zinc/74/71/28/1167747128.db2.gz KWNITRPXWBHVQA-MDGUTJNFSA-N -1 1 301.310 0.297 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CC12CC(O)C2 ZINC001593255796 1167747135 /nfs/dbraw/zinc/74/71/35/1167747135.db2.gz KWNITRPXWBHVQA-MDGUTJNFSA-N -1 1 301.310 0.297 20 0 DCADMM O=C([O-])[C@@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001593276983 1167752567 /nfs/dbraw/zinc/75/25/67/1167752567.db2.gz WISHEGRRQQSVGL-SCZZXKLOSA-N -1 1 309.351 0.650 20 0 DCADMM O=C([O-])[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)[C@H]1CCCO1 ZINC001593275443 1167753272 /nfs/dbraw/zinc/75/32/72/1167753272.db2.gz DRKYQXDXGYKIAX-NEPJUHHUSA-N -1 1 321.312 0.728 20 0 DCADMM O=C(OCC1CCC(O)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593285731 1167758054 /nfs/dbraw/zinc/75/80/54/1167758054.db2.gz XRRSGISSINEGQA-UHFFFAOYSA-N -1 1 303.322 0.970 20 0 DCADMM O=C(OCC1CCC(O)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593285731 1167758058 /nfs/dbraw/zinc/75/80/58/1167758058.db2.gz XRRSGISSINEGQA-UHFFFAOYSA-N -1 1 303.322 0.970 20 0 DCADMM O=C(OCCOCCn1cccn1)c1coc(-c2nnn[n-]2)c1 ZINC001593290843 1167763097 /nfs/dbraw/zinc/76/30/97/1167763097.db2.gz USRLPKVFGSRHAW-UHFFFAOYSA-N -1 1 318.293 0.530 20 0 DCADMM O=C(OCCOCCn1cccn1)c1coc(-c2nn[n-]n2)c1 ZINC001593290843 1167763106 /nfs/dbraw/zinc/76/31/06/1167763106.db2.gz USRLPKVFGSRHAW-UHFFFAOYSA-N -1 1 318.293 0.530 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1C1OCCO1 ZINC001593337131 1167778493 /nfs/dbraw/zinc/77/84/93/1167778493.db2.gz QCFZHAJBYOJQHW-LLVKDONJSA-N -1 1 316.321 0.239 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1C1OCCO1 ZINC001593337131 1167778499 /nfs/dbraw/zinc/77/84/99/1167778499.db2.gz QCFZHAJBYOJQHW-LLVKDONJSA-N -1 1 316.321 0.239 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(OCCO)CC1 ZINC001593340125 1167781129 /nfs/dbraw/zinc/78/11/29/1167781129.db2.gz BTJMMYAHOXWENX-UHFFFAOYSA-N -1 1 307.310 0.073 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(OCCO)CC1 ZINC001593340125 1167781132 /nfs/dbraw/zinc/78/11/32/1167781132.db2.gz BTJMMYAHOXWENX-UHFFFAOYSA-N -1 1 307.310 0.073 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC(N2CCOCC2)C1 ZINC001593361115 1167783895 /nfs/dbraw/zinc/78/38/95/1167783895.db2.gz YLVAIUUSUKAVCX-UHFFFAOYSA-N -1 1 320.378 0.085 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC(N2CCOCC2)C1 ZINC001593361115 1167783905 /nfs/dbraw/zinc/78/39/05/1167783905.db2.gz YLVAIUUSUKAVCX-UHFFFAOYSA-N -1 1 320.378 0.085 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCOC[C@@H]1CC(F)F ZINC001593369892 1167789213 /nfs/dbraw/zinc/78/92/13/1167789213.db2.gz QEFQKZQPNWXSLJ-QMMMGPOBSA-N -1 1 313.264 0.956 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCOC[C@@H]1CC(F)F ZINC001593369892 1167789221 /nfs/dbraw/zinc/78/92/21/1167789221.db2.gz QEFQKZQPNWXSLJ-QMMMGPOBSA-N -1 1 313.264 0.956 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CC(=O)c2ccccc21 ZINC001593382409 1167793713 /nfs/dbraw/zinc/79/37/13/1167793713.db2.gz ACGMEEMQRBQZCE-VIFPVBQESA-N -1 1 309.289 0.899 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CC(=O)c2ccccc21 ZINC001593382409 1167793720 /nfs/dbraw/zinc/79/37/20/1167793720.db2.gz ACGMEEMQRBQZCE-VIFPVBQESA-N -1 1 309.289 0.899 20 0 DCADMM O=C1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1CC1CC1 ZINC001593384890 1167796011 /nfs/dbraw/zinc/79/60/11/1167796011.db2.gz UUXOVXBYKKTXFT-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1CC1CC1 ZINC001593384890 1167796021 /nfs/dbraw/zinc/79/60/21/1167796021.db2.gz UUXOVXBYKKTXFT-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C(NCC[C@@H]1CNC(=O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593385807 1167797970 /nfs/dbraw/zinc/79/79/70/1167797970.db2.gz OHGMIKCEYSZKEE-QMMMGPOBSA-N -1 1 318.312 0.262 20 0 DCADMM O=C(NCC[C@@H]1CNC(=O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593385807 1167797973 /nfs/dbraw/zinc/79/79/73/1167797973.db2.gz OHGMIKCEYSZKEE-QMMMGPOBSA-N -1 1 318.312 0.262 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001593391319 1167804190 /nfs/dbraw/zinc/80/41/90/1167804190.db2.gz URYSZPPJVBXLQW-UAINPKIQSA-N -1 1 304.335 0.165 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001593391319 1167804197 /nfs/dbraw/zinc/80/41/97/1167804197.db2.gz URYSZPPJVBXLQW-UAINPKIQSA-N -1 1 304.335 0.165 20 0 DCADMM O=C1CCC(=O)N1CCSc1cccnc1-c1nnn[n-]1 ZINC001593389153 1167804360 /nfs/dbraw/zinc/80/43/60/1167804360.db2.gz SHYQIUCJDJFCNY-UHFFFAOYSA-N -1 1 304.335 0.503 20 0 DCADMM O=C1CCC(=O)N1CCSc1cccnc1-c1nn[n-]n1 ZINC001593389153 1167804372 /nfs/dbraw/zinc/80/43/72/1167804372.db2.gz SHYQIUCJDJFCNY-UHFFFAOYSA-N -1 1 304.335 0.503 20 0 DCADMM O=C1CN(c2ccnc(-c3nn[n-]n3)n2)Cc2ccccc2N1 ZINC001593399144 1167810347 /nfs/dbraw/zinc/81/03/47/1167810347.db2.gz DJNRXQAZCGHHFN-UHFFFAOYSA-N -1 1 308.305 0.615 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1CCCCO1 ZINC001593453644 1167844535 /nfs/dbraw/zinc/84/45/35/1167844535.db2.gz AUDTWVCWFMAPLF-UHFFFAOYSA-N -1 1 301.353 0.644 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1CCCCO1 ZINC001593453644 1167844544 /nfs/dbraw/zinc/84/45/44/1167844544.db2.gz AUDTWVCWFMAPLF-UHFFFAOYSA-N -1 1 301.353 0.644 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)o1)N(CC(F)F)C1CC1 ZINC001593451958 1167845175 /nfs/dbraw/zinc/84/51/75/1167845175.db2.gz LGWBKIWNWWANTO-UHFFFAOYSA-N -1 1 319.293 0.878 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCO[C@@H](CCF)C1 ZINC001593492943 1167875381 /nfs/dbraw/zinc/87/53/81/1167875381.db2.gz REQLBZHJJGRFAL-JTQLQIEISA-N -1 1 308.317 0.046 20 0 DCADMM O=c1c(-c2nnn[n-]2)cccn1CN1CC[C@H](c2cccnc2)C1 ZINC001593492099 1167877794 /nfs/dbraw/zinc/87/77/94/1167877794.db2.gz BPRLIAJCMHEHDV-ZDUSSCGKSA-N -1 1 323.360 0.870 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1csc(C2CC2)n1 ZINC001593495560 1167880018 /nfs/dbraw/zinc/88/00/18/1167880018.db2.gz ITICMQZECMRWHK-UHFFFAOYSA-N -1 1 301.335 0.806 20 0 DCADMM O[C@H](Cc1cccc(Cl)c1)Cn1cnc(-c2nn[n-]n2)n1 ZINC001593510798 1167887913 /nfs/dbraw/zinc/88/79/13/1167887913.db2.gz CEBVPQQTIHHJFW-SNVBAGLBSA-N -1 1 305.729 0.715 20 0 DCADMM O[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCc2ccccc21 ZINC001593514130 1167892779 /nfs/dbraw/zinc/89/27/79/1167892779.db2.gz CRWLKOQHKSBASR-OAHLLOKOSA-N -1 1 309.333 0.903 20 0 DCADMM O[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCc2ccccc21 ZINC001593514130 1167892783 /nfs/dbraw/zinc/89/27/83/1167892783.db2.gz CRWLKOQHKSBASR-OAHLLOKOSA-N -1 1 309.333 0.903 20 0 DCADMM O[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@@H]1F ZINC001593520864 1167895616 /nfs/dbraw/zinc/89/56/16/1167895616.db2.gz XRNVLUPPHUYRAG-WPRPVWTQSA-N -1 1 305.317 0.443 20 0 DCADMM O[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@@H]1F ZINC001593520864 1167895634 /nfs/dbraw/zinc/89/56/34/1167895634.db2.gz XRNVLUPPHUYRAG-WPRPVWTQSA-N -1 1 305.317 0.443 20 0 DCADMM OC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001593527004 1167903549 /nfs/dbraw/zinc/90/35/49/1167903549.db2.gz XBHWCPQTXSWUPA-JTQLQIEISA-N -1 1 301.285 0.363 20 0 DCADMM OCC[C@H](Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001593528121 1167904447 /nfs/dbraw/zinc/90/44/47/1167904447.db2.gz FAPZDBZLRXCEIF-GFCCVEGCSA-N -1 1 311.349 0.484 20 0 DCADMM OC[C@@H]1CCN1c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001593527622 1167905408 /nfs/dbraw/zinc/90/54/08/1167905408.db2.gz GTXBBTMUYKUSCZ-ZETCQYMHSA-N -1 1 300.244 0.852 20 0 DCADMM OC[C@@H]1CCN1c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001593527622 1167905418 /nfs/dbraw/zinc/90/54/18/1167905418.db2.gz GTXBBTMUYKUSCZ-ZETCQYMHSA-N -1 1 300.244 0.852 20 0 DCADMM OCC[C@@H]1CCCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593530676 1167906536 /nfs/dbraw/zinc/90/65/36/1167906536.db2.gz POCWNQNMPCVJJA-JTQLQIEISA-N -1 1 301.354 0.885 20 0 DCADMM OCC[C@@H]1CCCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593530676 1167906541 /nfs/dbraw/zinc/90/65/41/1167906541.db2.gz POCWNQNMPCVJJA-JTQLQIEISA-N -1 1 301.354 0.885 20 0 DCADMM c1ncn(-c2cc(CNc3ncncc3-c3nn[n-]n3)ccn2)n1 ZINC001593556873 1167934375 /nfs/dbraw/zinc/93/43/75/1167934375.db2.gz AADVMIQBCMCUNC-UHFFFAOYSA-N -1 1 321.308 0.245 20 0 DCADMM c1cc(N2CCc3nc(C4CC4)ncc3C2)nnc1-c1nnn[n-]1 ZINC001593558687 1167934597 /nfs/dbraw/zinc/93/45/97/1167934597.db2.gz OTGGBOOGABEXIR-UHFFFAOYSA-N -1 1 321.348 0.887 20 0 DCADMM c1cc(N2CCc3nc(C4CC4)ncc3C2)nnc1-c1nn[n-]n1 ZINC001593558687 1167934603 /nfs/dbraw/zinc/93/46/03/1167934603.db2.gz OTGGBOOGABEXIR-UHFFFAOYSA-N -1 1 321.348 0.887 20 0 DCADMM c1ncn(-c2cc(CNc3nccnc3-c3nnn[n-]3)ccn2)n1 ZINC001593557124 1167938549 /nfs/dbraw/zinc/93/85/49/1167938549.db2.gz JUBADFNCCWUYBU-UHFFFAOYSA-N -1 1 321.308 0.245 20 0 DCADMM c1ncn(-c2cc(CNc3nccnc3-c3nn[n-]n3)ccn2)n1 ZINC001593557124 1167938562 /nfs/dbraw/zinc/93/85/62/1167938562.db2.gz JUBADFNCCWUYBU-UHFFFAOYSA-N -1 1 321.308 0.245 20 0 DCADMM c1ncn(-c2cccc(CNc3ccnc(-c4nn[n-]n4)n3)c2)n1 ZINC001593557499 1167938830 /nfs/dbraw/zinc/93/88/30/1167938830.db2.gz UTOQXQLJSYLTIR-UHFFFAOYSA-N -1 1 320.320 0.271 20 0 DCADMM c1cc(NC[C@H]2CCOC3(CCC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593560391 1167942052 /nfs/dbraw/zinc/94/20/52/1167942052.db2.gz DDAAIBGKVFIQSV-JTQLQIEISA-N -1 1 301.354 0.840 20 0 DCADMM c1ccc2c(c1)C[C@@H](CNc1ccnc(-c3nn[n-]n3)n1)CO2 ZINC001593581553 1167950562 /nfs/dbraw/zinc/95/05/62/1167950562.db2.gz QJMWAFNYURJMER-JTQLQIEISA-N -1 1 309.333 0.742 20 0 DCADMM c1cnc(N2CCO[C@]3(CCCOC3)C2)c(-c2nnn[n-]2)n1 ZINC001593584214 1167953099 /nfs/dbraw/zinc/95/30/99/1167953099.db2.gz IXYJIUHAHRCTTH-CYBMUJFWSA-N -1 1 303.326 0.043 20 0 DCADMM c1cnc(N2CCO[C@]3(CCCOC3)C2)c(-c2nn[n-]n2)n1 ZINC001593584214 1167953101 /nfs/dbraw/zinc/95/31/01/1167953101.db2.gz IXYJIUHAHRCTTH-CYBMUJFWSA-N -1 1 303.326 0.043 20 0 DCADMM c1cc2ncnc(NCCn3cnc(-c4nn[n-]n4)n3)c2s1 ZINC001593590737 1167954403 /nfs/dbraw/zinc/95/44/03/1167954403.db2.gz DGTDTROUUUYNAZ-UHFFFAOYSA-N -1 1 314.338 0.575 20 0 DCADMM Cc1nn(C)c(C)c1C(=O)C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001593758640 1167961785 /nfs/dbraw/zinc/96/17/85/1167961785.db2.gz HROVKUNWWZLJGL-UHFFFAOYSA-N -1 1 319.369 0.418 20 0 DCADMM Cc1cccc(-n2cc(C(=O)NC3(c4nn[n-]n4)CCC3)nn2)c1 ZINC001593857223 1167962301 /nfs/dbraw/zinc/96/23/01/1167962301.db2.gz QZEYUAQHABXYBP-UHFFFAOYSA-N -1 1 324.348 0.898 20 0 DCADMM COC[C@@H](NC(=O)c1cccc2cc(=O)[nH]cc21)c1nn[n-]n1 ZINC001595889765 1167981179 /nfs/dbraw/zinc/98/11/79/1167981179.db2.gz YAWASENIQIJSOA-LLVKDONJSA-N -1 1 314.305 0.571 20 0 DCADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1nnc2c(=O)[nH]ccn21 ZINC001595934862 1167983092 /nfs/dbraw/zinc/98/30/92/1167983092.db2.gz QLSHJRXNPGPAAR-ZETCQYMHSA-N -1 1 317.280 0.753 20 0 DCADMM CC(=CC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)c1cnccn1 ZINC001595948647 1167985158 /nfs/dbraw/zinc/98/51/58/1167985158.db2.gz SCFCSVNKYKZLFR-SEVUFMINSA-N -1 1 313.365 0.874 20 0 DCADMM COC(=O)[C@H](O)C1CCN(Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001598711298 1168024697 /nfs/dbraw/zinc/02/46/97/1168024697.db2.gz HTWRWTCWQIENRB-CYBMUJFWSA-N -1 1 310.350 0.469 20 0 DCADMM Cc1c(C(=O)[O-])cc(CNC(=O)c2ccnc(CN)c2)n1C ZINC001599992918 1168080137 /nfs/dbraw/zinc/08/01/37/1168080137.db2.gz KUPXMYWXISPOAB-UHFFFAOYSA-N -1 1 302.334 0.815 20 0 DCADMM Cc1c(NC(=O)C(=O)NCc2c[nH]nn2)cccc1C(=O)[O-] ZINC001600029527 1168105022 /nfs/dbraw/zinc/10/50/22/1168105022.db2.gz ZKLJXTIXCVILAX-UHFFFAOYSA-N -1 1 303.278 0.066 20 0 DCADMM Cc1cc(=O)[nH]cc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600065474 1168110525 /nfs/dbraw/zinc/11/05/25/1168110525.db2.gz WQEUXJQXEWAEJH-NSHDSACASA-N -1 1 307.350 0.717 20 0 DCADMM Cc1cc(CNCCS(=O)(=O)CC2CC2)[nH]c1C(=O)[O-] ZINC001600204918 1168136888 /nfs/dbraw/zinc/13/68/88/1168136888.db2.gz FWZWPLXSXFLHLX-UHFFFAOYSA-N -1 1 300.380 0.936 20 0 DCADMM Cc1cc(NC(=O)C(=O)N2CCNC[C@H]2C)ccc1C(=O)[O-] ZINC001600245926 1168146838 /nfs/dbraw/zinc/14/68/38/1168146838.db2.gz ZUGLUSOIJPONNY-SNVBAGLBSA-N -1 1 305.334 0.452 20 0 DCADMM Cc1ccc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])n1C ZINC001600331258 1168167872 /nfs/dbraw/zinc/16/78/72/1168167872.db2.gz QYSATLAJZSVHBR-UHFFFAOYSA-N -1 1 322.409 0.108 20 0 DCADMM Cc1ccc(NC(=O)C(=O)N2CCNC[C@@H]2C)c(C(=O)[O-])c1 ZINC001600439980 1168184541 /nfs/dbraw/zinc/18/45/41/1168184541.db2.gz LQQCHIHBIPAEQM-JTQLQIEISA-N -1 1 305.334 0.452 20 0 DCADMM Cc1ccc(OC[C@H](O)CN2CCN(C)CC2)c(C(=O)[O-])c1 ZINC001600469061 1168188003 /nfs/dbraw/zinc/18/80/03/1168188003.db2.gz ZBPKDYWOCDHYRN-CYBMUJFWSA-N -1 1 308.378 0.680 20 0 DCADMM Cc1cnc2c(C(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])cnn2c1 ZINC001600624862 1168218158 /nfs/dbraw/zinc/21/81/58/1168218158.db2.gz JDYYSYPWZRRSFA-LLVKDONJSA-N -1 1 314.305 0.187 20 0 DCADMM Cc1cnccc1CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600629743 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CCC[C@@H]1C[C@H]1C(=O)NCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001604238987 1169530169 /nfs/dbraw/zinc/53/01/69/1169530169.db2.gz YKCOFTLQFGNPML-NXEZZACHSA-N -1 1 316.369 0.043 20 0 DCADMM CCC[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(=O)OC ZINC001604237264 1169530568 /nfs/dbraw/zinc/53/05/68/1169530568.db2.gz GGIBCPMPYWUDPS-SECBINFHSA-N -1 1 304.310 0.333 20 0 DCADMM CCC[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(=O)OC ZINC001604237264 1169530573 /nfs/dbraw/zinc/53/05/73/1169530573.db2.gz GGIBCPMPYWUDPS-SECBINFHSA-N -1 1 304.310 0.333 20 0 DCADMM C[C@@H](Cn1ccnc1)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001604246550 1169532344 /nfs/dbraw/zinc/53/23/44/1169532344.db2.gz CYFXKEMLBQDUDR-STQMWFEESA-N -1 1 323.397 0.462 20 0 DCADMM CCN(C#N)CCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001604257154 1169535745 /nfs/dbraw/zinc/53/57/45/1169535745.db2.gz OCXFGBAYYUJUOO-UHFFFAOYSA-N -1 1 309.333 0.985 20 0 DCADMM C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001604264626 1169537437 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CCNC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001604354952 1169564708 /nfs/dbraw/zinc/56/47/08/1169564708.db2.gz HWTPEMVUKATWHX-JTQLQIEISA-N -1 1 322.394 0.819 20 0 DCADMM CCNC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001604354952 1169564718 /nfs/dbraw/zinc/56/47/18/1169564718.db2.gz HWTPEMVUKATWHX-JTQLQIEISA-N -1 1 322.394 0.819 20 0 DCADMM CCOC(=O)[C@@H](C)C1CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001604361336 1169569726 /nfs/dbraw/zinc/56/97/26/1169569726.db2.gz LMANLYINLOVKBS-VIFPVBQESA-N -1 1 302.338 0.897 20 0 DCADMM CCOC(=O)[C@@H](C)C1CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001604361336 1169569738 /nfs/dbraw/zinc/56/97/38/1169569738.db2.gz LMANLYINLOVKBS-VIFPVBQESA-N -1 1 302.338 0.897 20 0 DCADMM C[C@](O)(CN1CCN(C(=O)Cc2ccccc2)CC1)C(=O)[O-] ZINC001604368664 1169571913 /nfs/dbraw/zinc/57/19/13/1169571913.db2.gz ADFCFJMVLANQPO-INIZCTEOSA-N -1 1 306.362 0.209 20 0 DCADMM C[C@@](O)(CN1CCN(c2ncnc3ccsc32)CC1)C(=O)[O-] ZINC001604373449 1169572884 /nfs/dbraw/zinc/57/28/84/1169572884.db2.gz 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CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001604489902 1169602970 /nfs/dbraw/zinc/60/29/70/1169602970.db2.gz ZCXWAGJROMVFPI-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001604489902 1169602973 /nfs/dbraw/zinc/60/29/73/1169602973.db2.gz ZCXWAGJROMVFPI-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(CCO)CCCOC)n1 ZINC001604543323 1169611987 /nfs/dbraw/zinc/61/19/87/1169611987.db2.gz FVHIFEREFXEORX-UHFFFAOYSA-N -1 1 307.358 0.054 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(CCO)CCCOC)n1 ZINC001604543323 1169611999 /nfs/dbraw/zinc/61/19/99/1169611999.db2.gz FVHIFEREFXEORX-UHFFFAOYSA-N -1 1 307.358 0.054 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@H]2CC(N)=O)n1 ZINC001604542966 1169612012 /nfs/dbraw/zinc/61/20/12/1169612012.db2.gz ATHQGHLWYNSOQF-VIFPVBQESA-N -1 1 316.369 0.453 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@H]2CC(N)=O)n1 ZINC001604542966 1169612016 /nfs/dbraw/zinc/61/20/16/1169612016.db2.gz 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C[C@H](CC(=O)NCCNC(=O)c1ncccc1[O-])n1ccnc1 ZINC001742355723 1187964381 /nfs/dbraw/zinc/96/43/81/1187964381.db2.gz LBTOQTFHIHXIKH-LLVKDONJSA-N -1 1 317.349 0.481 20 0 DCADMM CCCCOCC(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001747772784 1188290862 /nfs/dbraw/zinc/29/08/62/1188290862.db2.gz KJHLKIHIKYXHNX-UHFFFAOYSA-N -1 1 321.377 0.983 20 0 DCADMM C[C@H](CNC(=O)c1cccc2cc[nH]c21)NCc1n[nH]c(=O)[n-]1 ZINC001752900186 1188458329 /nfs/dbraw/zinc/45/83/29/1188458329.db2.gz ALDFXIJBBHNKQR-SECBINFHSA-N -1 1 314.349 0.900 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001753191212 1188529451 /nfs/dbraw/zinc/52/94/51/1188529451.db2.gz RMJJEBJXYYBAIH-GRYCIOLGSA-N -1 1 305.382 0.661 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001754057920 1188724343 /nfs/dbraw/zinc/72/43/43/1188724343.db2.gz KDNTXRKYRBZLTP-YPMHNXCESA-N -1 1 323.397 0.264 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1[nH]nc2ccccc21 ZINC001754250896 1188799519 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CSc1nc(CNC(=O)[C@@]2(C)CCN(C(C)=O)C2)cc(=O)[n-]1 ZINC001771917754 1190554949 /nfs/dbraw/zinc/55/49/49/1190554949.db2.gz CEPNOXZLZJXPJL-AWEZNQCLSA-N -1 1 324.406 0.779 20 0 DCADMM C[C@H](CO[C@H]1CCOC1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC001771918617 1190555248 /nfs/dbraw/zinc/55/52/48/1190555248.db2.gz XKJQLBXDZNCHPE-AGIUHOORSA-N -1 1 314.382 0.093 20 0 DCADMM Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001772151197 1190615215 /nfs/dbraw/zinc/61/52/15/1190615215.db2.gz QFTNSGZGAIDPHC-ZCFIWIBFSA-N -1 1 302.264 0.774 20 0 DCADMM Cn1c(-c2nn[n-]n2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001772151197 1190615217 /nfs/dbraw/zinc/61/52/17/1190615217.db2.gz QFTNSGZGAIDPHC-ZCFIWIBFSA-N -1 1 302.264 0.774 20 0 DCADMM CCn1c(-c2nnn[n-]2)nnc1N1CC2(C[C@H]1C)CCOCC2 ZINC001772184315 1190624735 /nfs/dbraw/zinc/62/47/35/1190624735.db2.gz QCZKMEOYTWAQIS-SNVBAGLBSA-N -1 1 318.385 0.874 20 0 DCADMM CCn1c(-c2nn[n-]n2)nnc1N1CC2(C[C@H]1C)CCOCC2 ZINC001772184315 1190624737 /nfs/dbraw/zinc/62/47/37/1190624737.db2.gz QCZKMEOYTWAQIS-SNVBAGLBSA-N -1 1 318.385 0.874 20 0 DCADMM COc1cccc(S([O-])=CC(=O)OC[C@@H]2COC(=O)C2)c1 ZINC001772361774 1190668122 /nfs/dbraw/zinc/66/81/22/1190668122.db2.gz WSMNQGQQQAZLPI-CHNSCGDPSA-N -1 1 312.343 0.909 20 0 DCADMM CN(c1nnc(Cc2nnn[n-]2)n1C[C@@H]1CCCCO1)C1CC1 ZINC001772371458 1190669716 /nfs/dbraw/zinc/66/97/16/1190669716.db2.gz GZNLRJZITZXVHX-NSHDSACASA-N -1 1 318.385 0.550 20 0 DCADMM CN(c1nnc(Cc2nn[n-]n2)n1C[C@@H]1CCCCO1)C1CC1 ZINC001772371458 1190669717 /nfs/dbraw/zinc/66/97/17/1190669717.db2.gz GZNLRJZITZXVHX-NSHDSACASA-N -1 1 318.385 0.550 20 0 DCADMM COC[C@H](C)CC(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001575794790 1164154954 /nfs/dbraw/zinc/15/49/54/1164154954.db2.gz GUTZQLYKHNWOMW-LLVKDONJSA-N -1 1 309.366 0.696 20 0 DCADMM CN(C(=O)C[C@H]1C=CCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001042458726 751664064 /nfs/dbraw/zinc/66/40/64/751664064.db2.gz VDSLPPKIEBCQTE-NSHDSACASA-N -1 1 305.382 0.107 20 0 DCADMM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001042713116 751858026 /nfs/dbraw/zinc/85/80/26/751858026.db2.gz OOMSITAZOKQTII-SNVBAGLBSA-N -1 1 319.361 0.136 20 0 DCADMM COC([O-])=NC(=S)N(C(=O)CNC(C)=O)c1ccccc1N ZINC001142806736 751870596 /nfs/dbraw/zinc/87/05/96/751870596.db2.gz UKRKYHSVJUNMPH-UHFFFAOYSA-N -1 1 324.362 0.379 20 0 DCADMM COC(=O)[N-]C(=S)N(C(=O)CNC(C)=O)c1ccccc1N ZINC001142806736 751870606 /nfs/dbraw/zinc/87/06/06/751870606.db2.gz UKRKYHSVJUNMPH-UHFFFAOYSA-N -1 1 324.362 0.379 20 0 DCADMM CN(C(=O)[C@]1(C)CC=CCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001042781165 751905649 /nfs/dbraw/zinc/90/56/49/751905649.db2.gz SXHRFFAQWKIPSW-MRXNPFEDSA-N -1 1 319.409 0.497 20 0 DCADMM COc1cccc(CNCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001125728202 747541890 /nfs/dbraw/zinc/54/18/90/747541890.db2.gz CMHLIFMUJFGPIV-UHFFFAOYSA-N -1 1 305.338 0.347 20 0 DCADMM CCOC(=O)c1nc[nH]c1NC(=O)[C@@H]1CCCS1(=O)=O ZINC001143466828 747702225 /nfs/dbraw/zinc/70/22/25/747702225.db2.gz ARDOLXQPKDEYNE-ZETCQYMHSA-N -1 1 301.324 0.102 20 0 DCADMM O=C([N-][C@@H]1CN(Cc2nnsc2Cl)C[C@@H]1O)C(F)F ZINC001083299380 748066637 /nfs/dbraw/zinc/06/66/37/748066637.db2.gz VHMCFXFYXZLBTC-XINAWCOVSA-N -1 1 312.729 0.118 20 0 DCADMM CC(C)n1cc(CNCCNC(=O)c2ncccc2[O-])nn1 ZINC001126118457 748225430 /nfs/dbraw/zinc/22/54/30/748225430.db2.gz CDMJBQYUFSJLQO-UHFFFAOYSA-N -1 1 304.354 0.479 20 0 DCADMM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1ccc(Cl)nc1F ZINC000692848341 748295635 /nfs/dbraw/zinc/29/56/35/748295635.db2.gz OLYCNQKFAXXIOO-LLVKDONJSA-N -1 1 324.761 0.694 20 0 DCADMM CC(CO)(CO)C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000692888839 748395996 /nfs/dbraw/zinc/39/59/96/748395996.db2.gz OCAXEOPQTCGZCR-UHFFFAOYSA-N -1 1 312.750 0.143 20 0 DCADMM COCC(COC)[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000692909124 748431890 /nfs/dbraw/zinc/43/18/90/748431890.db2.gz HALSJFZSZFFVQU-UHFFFAOYSA-N -1 1 312.750 0.814 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)C2CCCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087484579 748839107 /nfs/dbraw/zinc/83/91/07/748839107.db2.gz NAQPHDKRJRBPCC-QWHCGFSZSA-N -1 1 321.425 0.768 20 0 DCADMM O=C(N[C@@H]1CN(Cc2cncs2)C[C@@H]1O)c1ncccc1[O-] ZINC001083423330 749270890 /nfs/dbraw/zinc/27/08/90/749270890.db2.gz PQOIESWBURMXGN-PWSUYJOCSA-N -1 1 320.374 0.219 20 0 DCADMM O=C([C@@H]1CCOC1)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088276149 749332816 /nfs/dbraw/zinc/33/28/16/749332816.db2.gz AIFAEWORHFTLBL-NEPJUHHUSA-N -1 1 323.397 0.408 20 0 DCADMM Cc1c[nH]cc1C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001168119801 749446326 /nfs/dbraw/zinc/44/63/26/749446326.db2.gz QKDRCGGFJAFACG-UHFFFAOYSA-N -1 1 318.381 0.837 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C[C@H]2C=CCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088461295 749468726 /nfs/dbraw/zinc/46/87/26/749468726.db2.gz AFSGKQIGLNVNGZ-AGIUHOORSA-N -1 1 319.409 0.544 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1CC(=O)N1CCC1 ZINC001088536373 749559475 /nfs/dbraw/zinc/55/94/75/749559475.db2.gz RPYPGARVCNICGD-NEPJUHHUSA-N -1 1 318.377 0.212 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1cn(C)nn1 ZINC001088538645 749562367 /nfs/dbraw/zinc/56/23/67/749562367.db2.gz KTWVWFGODCPKGQ-PWSUYJOCSA-N -1 1 316.365 0.309 20 0 DCADMM C[C@@H](CCNC(=O)Cn1ccnc1)NC(=O)c1ncccc1[O-] ZINC001077182506 750246902 /nfs/dbraw/zinc/24/69/02/750246902.db2.gz SVWPFUGVSCWCMA-NSHDSACASA-N -1 1 317.349 0.309 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001089213594 750884684 /nfs/dbraw/zinc/88/46/84/750884684.db2.gz OAQJQGZZJXOWGV-AVGNSLFASA-N -1 1 321.425 0.577 20 0 DCADMM CCOCCCn1c(-c2nnn[n-]2)nnc1N(C)CCCF ZINC001122695147 751135822 /nfs/dbraw/zinc/13/58/22/751135822.db2.gz RCZUOHJXSXLMQQ-UHFFFAOYSA-N -1 1 312.353 0.681 20 0 DCADMM CCOCCCn1c(-c2nn[n-]n2)nnc1N(C)CCCF ZINC001122695147 751135824 /nfs/dbraw/zinc/13/58/24/751135824.db2.gz RCZUOHJXSXLMQQ-UHFFFAOYSA-N -1 1 312.353 0.681 20 0 DCADMM CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001071755781 762113712 /nfs/dbraw/zinc/11/37/12/762113712.db2.gz OKOIXLMAYARUPR-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM C[C@H]1CCC[C@@H](C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)C1 ZINC001043700238 752354845 /nfs/dbraw/zinc/35/48/45/752354845.db2.gz QSKCMXBOAJJIBL-NWDGAFQWSA-N -1 1 321.425 0.577 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@@]2(C)CN(CC(C)C)CCO2)c1[O-] ZINC001107872288 752461399 /nfs/dbraw/zinc/46/13/99/752461399.db2.gz NTOYDNWWSGPLII-HNNXBMFYSA-N -1 1 310.398 0.900 20 0 DCADMM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CN(CCCC2CCC2)C1 ZINC001044235634 752640028 /nfs/dbraw/zinc/64/00/28/752640028.db2.gz AAQIDBLBBAJSJE-UHFFFAOYSA-N -1 1 323.397 0.412 20 0 DCADMM O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044916555 752930306 /nfs/dbraw/zinc/93/03/06/752930306.db2.gz CHKVRVROUHDSDH-NEPJUHHUSA-N -1 1 305.382 0.947 20 0 DCADMM Cc1ncncc1C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044946180 752948546 /nfs/dbraw/zinc/94/85/46/752948546.db2.gz YAGQYZXZJLDPPF-JTQLQIEISA-N -1 1 317.353 0.003 20 0 DCADMM O=C(c1ccns1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045056167 753023891 /nfs/dbraw/zinc/02/38/91/753023891.db2.gz OZXYGIUISRDTQV-QMMMGPOBSA-N -1 1 308.367 0.361 20 0 DCADMM O=C(Cc1ccccc1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045095590 753045620 /nfs/dbraw/zinc/04/56/20/753045620.db2.gz ZXPWGJNDRQIYFZ-ZDUSSCGKSA-N -1 1 315.377 0.834 20 0 DCADMM CC1(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001045242619 753106390 /nfs/dbraw/zinc/10/63/90/753106390.db2.gz BVENJWWUXORRKH-NSHDSACASA-N -1 1 323.397 0.408 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NC1(C)CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001045352705 753155835 /nfs/dbraw/zinc/15/58/35/753155835.db2.gz JDFBVZHPWXGZFE-GHMZBOCLSA-N -1 1 307.398 0.235 20 0 DCADMM O=C(/C=C\C1CC1)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078365888 753205535 /nfs/dbraw/zinc/20/55/35/753205535.db2.gz NMQAFERDPYTGOG-QMAVJUDZSA-N -1 1 321.381 0.184 20 0 DCADMM CC(=O)NC[C@@H]1CC2(CO1)CCN(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001045659979 753282660 /nfs/dbraw/zinc/28/26/60/753282660.db2.gz HTZYGMFWEWESRN-NSHDSACASA-N -1 1 309.370 0.018 20 0 DCADMM CC(C)(F)C(=O)N[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2 ZINC001078536561 753288140 /nfs/dbraw/zinc/28/81/40/753288140.db2.gz OESSCQCPCUKNHR-DTWKUNHWSA-N -1 1 311.361 0.775 20 0 DCADMM O=C(N[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2)C(F)F ZINC001078521250 753289635 /nfs/dbraw/zinc/28/96/35/753289635.db2.gz MWSGWGNPHXJOLL-NKWVEPMBSA-N -1 1 301.297 0.292 20 0 DCADMM Cn1[n-]c(CN2CC[C@](C)(NC(=O)C3CCCC3)C2)nc1=O ZINC001046093978 753477497 /nfs/dbraw/zinc/47/74/97/753477497.db2.gz NBTDMQYWSVMUEL-HNNXBMFYSA-N -1 1 307.398 0.379 20 0 DCADMM Cc1occc1C(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001046127208 753495274 /nfs/dbraw/zinc/49/52/74/753495274.db2.gz KUVZOQNBHZLPAN-HNNXBMFYSA-N -1 1 319.365 0.404 20 0 DCADMM C[C@H](C(=O)N(C)C)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001046259929 753595583 /nfs/dbraw/zinc/59/55/83/753595583.db2.gz SKABNUALINISDG-BZNIZROVSA-N -1 1 320.393 0.458 20 0 DCADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(Cc2cnon2)C1 ZINC001046261755 753597844 /nfs/dbraw/zinc/59/78/44/753597844.db2.gz GYUBQYNBMXEYOQ-AWEZNQCLSA-N -1 1 303.322 0.565 20 0 DCADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(CC(=O)N2CCC2)C1 ZINC001046261477 753598203 /nfs/dbraw/zinc/59/82/03/753598203.db2.gz DPEKLMUSCURSRG-MRXNPFEDSA-N -1 1 318.377 0.214 20 0 DCADMM O=C(NC[C@H]1CCN(c2cc(F)ncn2)C1)c1ncccc1[O-] ZINC001061586811 754108264 /nfs/dbraw/zinc/10/82/64/754108264.db2.gz ZRXVCRDTHDPAFE-SNVBAGLBSA-N -1 1 317.324 0.973 20 0 DCADMM CO[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062150012 754647538 /nfs/dbraw/zinc/64/75/38/754647538.db2.gz QZNJFPMGCCDKKM-VXGBXAGGSA-N -1 1 321.377 0.933 20 0 DCADMM C/C(=C/C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1)C1CC1 ZINC001048703313 754877581 /nfs/dbraw/zinc/87/75/81/754877581.db2.gz RRUITHBPDIHUQB-SEXSVCNTSA-N -1 1 317.393 0.757 20 0 DCADMM O=C(c1ccn[nH]1)N1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049340794 755226980 /nfs/dbraw/zinc/22/69/80/755226980.db2.gz KHDSJEWBNVFNSW-MNOVXSKESA-N -1 1 317.353 0.113 20 0 DCADMM COCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001049684523 755363456 /nfs/dbraw/zinc/36/34/56/755363456.db2.gz GNQGITBJTVJGFE-NWDGAFQWSA-N -1 1 321.377 0.791 20 0 DCADMM CCCCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CCO1 ZINC001065072772 755670127 /nfs/dbraw/zinc/67/01/27/755670127.db2.gz GMEYACYORLBBDO-LBPRGKRZSA-N -1 1 321.377 0.935 20 0 DCADMM CCN1CC2(C1)CN(C(=O)c1cnc(C3CC3)[n-]c1=O)CCO2 ZINC001053461721 756052960 /nfs/dbraw/zinc/05/29/60/756052960.db2.gz XJIADXWBAHLDGI-UHFFFAOYSA-N -1 1 318.377 0.606 20 0 DCADMM Cc1coc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)c1 ZINC001080295312 756164192 /nfs/dbraw/zinc/16/41/92/756164192.db2.gz OVDLVTKEDMFZHT-GHMZBOCLSA-N -1 1 319.365 0.260 20 0 DCADMM C[C@H]1CN(C(=O)Cc2cccs2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054334708 756441344 /nfs/dbraw/zinc/44/13/44/756441344.db2.gz GHYPBEDBLGSMJO-ONGXEEELSA-N -1 1 321.406 0.751 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054333891 756441442 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O=C(CC1CC1)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001570919389 948587916 /nfs/dbraw/zinc/58/79/16/948587916.db2.gz SAQVZKRIUUVNAQ-AOOOYVTPSA-N -1 1 314.353 0.516 20 0 DCADMM CCCn1cc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)nn1 ZINC001570919883 948593243 /nfs/dbraw/zinc/59/32/43/948593243.db2.gz DARJBOLVJJFUON-UHFFFAOYSA-N -1 1 313.325 0.193 20 0 DCADMM CCCn1cc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)nn1 ZINC001570919883 948593250 /nfs/dbraw/zinc/59/32/50/948593250.db2.gz DARJBOLVJJFUON-UHFFFAOYSA-N -1 1 313.325 0.193 20 0 DCADMM Cc1ccncc1CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001570919875 948593443 /nfs/dbraw/zinc/59/34/43/948593443.db2.gz CUCHVTFTELVTHK-VIFPVBQESA-N -1 1 313.325 0.039 20 0 DCADMM COCc1nn(C)cc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001570920525 948600855 /nfs/dbraw/zinc/60/08/55/948600855.db2.gz RPDCYHVCHZBCTP-UHFFFAOYSA-N -1 1 314.309 0.394 20 0 DCADMM COCc1nn(C)cc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001570920525 948600861 /nfs/dbraw/zinc/60/08/61/948600861.db2.gz RPDCYHVCHZBCTP-UHFFFAOYSA-N -1 1 314.309 0.394 20 0 DCADMM CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001570921009 948611632 /nfs/dbraw/zinc/61/16/32/948611632.db2.gz KATRXKJURVHJNS-NSHDSACASA-N -1 1 316.369 0.398 20 0 DCADMM CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001570921009 948611638 /nfs/dbraw/zinc/61/16/38/948611638.db2.gz KATRXKJURVHJNS-NSHDSACASA-N -1 1 316.369 0.398 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001570921065 948614419 /nfs/dbraw/zinc/61/44/19/948614419.db2.gz MQSJLJPGYAAEAP-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001570921065 948614421 /nfs/dbraw/zinc/61/44/21/948614421.db2.gz MQSJLJPGYAAEAP-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM C[C@H](C(=O)N[C@@H]1C[C@H]1CC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573739557 948621100 /nfs/dbraw/zinc/62/11/00/948621100.db2.gz FKBGYZSMWVENRN-KXUCPTDWSA-N -1 1 318.385 0.960 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC001328067967 948701912 /nfs/dbraw/zinc/70/19/12/948701912.db2.gz NUTOHDZOFCRJNX-BCMYLCSRSA-N -1 1 321.425 0.791 20 0 DCADMM O=C(NCCNC(=O)c1ccc([O-])cc1F)c1cnccn1 ZINC001263851095 948780969 /nfs/dbraw/zinc/78/09/69/948780969.db2.gz XBTYDRUJUOASNT-UHFFFAOYSA-N -1 1 304.281 0.481 20 0 DCADMM CC(C)c1coc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001574424372 948852919 /nfs/dbraw/zinc/85/29/19/948852919.db2.gz MSADVDRHOMFDFB-SSDOTTSWSA-N -1 1 317.313 0.769 20 0 DCADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nnc2[nH]cnn12 ZINC001328383178 948866785 /nfs/dbraw/zinc/86/67/85/948866785.db2.gz FWCUXWMARAVDTO-UHFFFAOYSA-N -1 1 302.298 0.632 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1)c1nn[nH]n1 ZINC001328662621 949016117 /nfs/dbraw/zinc/01/61/17/949016117.db2.gz ZFHYUOCVABWVSA-LURJTMIESA-N -1 1 303.282 0.317 20 0 DCADMM CCCc1cc(=O)n2[n-]c(NC(=O)Cc3cnn(C)c3)nc2n1 ZINC001328712129 949045755 /nfs/dbraw/zinc/04/57/55/949045755.db2.gz PKYPPANMLVWTEG-UHFFFAOYSA-N -1 1 315.337 0.285 20 0 DCADMM C[C@@H](c1nncn1C)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001264978072 949130552 /nfs/dbraw/zinc/13/05/52/949130552.db2.gz BCJRNXKKOPXZAL-NSHDSACASA-N -1 1 318.381 0.729 20 0 DCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C(C)(C)F ZINC001575251399 949137125 /nfs/dbraw/zinc/13/71/25/949137125.db2.gz MQZDMJAOKKXFAN-SFYZADRCSA-N -1 1 322.348 0.710 20 0 DCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C(C)(C)F ZINC001575251399 949137139 /nfs/dbraw/zinc/13/71/39/949137139.db2.gz MQZDMJAOKKXFAN-SFYZADRCSA-N -1 1 322.348 0.710 20 0 DCADMM CCN(CC)[C@H](CNC(=O)N=c1nn[n-]n1CC)c1ccco1 ZINC001364371507 949140103 /nfs/dbraw/zinc/14/01/03/949140103.db2.gz CRELMDGJGZEGQC-LLVKDONJSA-N -1 1 321.385 0.913 20 0 DCADMM Cc1nc(C(C)C)oc1C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001364383554 949160200 /nfs/dbraw/zinc/16/02/00/949160200.db2.gz PTEGVRPSJSTXQJ-VIFPVBQESA-N -1 1 306.326 0.833 20 0 DCADMM C[C@@H](CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ncon1 ZINC001574935372 949199951 /nfs/dbraw/zinc/19/99/51/949199951.db2.gz BBCVQLILZWXLEV-QMMMGPOBSA-N -1 1 314.309 0.107 20 0 DCADMM C[C@@H](CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ncon1 ZINC001574935372 949199957 /nfs/dbraw/zinc/19/99/57/949199957.db2.gz BBCVQLILZWXLEV-QMMMGPOBSA-N -1 1 314.309 0.107 20 0 DCADMM C[C@H](CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ncon1 ZINC001574935370 949201273 /nfs/dbraw/zinc/20/12/73/949201273.db2.gz BBCVQLILZWXLEV-MRVPVSSYSA-N -1 1 314.309 0.107 20 0 DCADMM C[C@H](CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ncon1 ZINC001574935370 949201289 /nfs/dbraw/zinc/20/12/89/949201289.db2.gz BBCVQLILZWXLEV-MRVPVSSYSA-N -1 1 314.309 0.107 20 0 DCADMM CC1(c2ccc(CNC(=O)CCc3nn[n-]n3)cc2)OCCO1 ZINC001364414261 949225808 /nfs/dbraw/zinc/22/58/08/949225808.db2.gz MCBSECDFCMCVPZ-UHFFFAOYSA-N -1 1 317.349 0.668 20 0 DCADMM O=C(CCc1nn[n-]n1)N1CCCC[C@@H]1CCn1ccnn1 ZINC001364438410 949289354 /nfs/dbraw/zinc/28/93/54/949289354.db2.gz DKCABAYRUJGGQL-LLVKDONJSA-N -1 1 304.358 0.195 20 0 DCADMM Cc1cc(OCC(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)no1 ZINC001329072064 949332674 /nfs/dbraw/zinc/33/26/74/949332674.db2.gz YWLPSQLCGWZRGN-UHFFFAOYSA-N -1 1 304.266 0.040 20 0 DCADMM C[C@H](C(=O)[O-])C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC001602802587 971579854 /nfs/dbraw/zinc/57/98/54/971579854.db2.gz YOCUTUFTSRTPSM-UFBFGSQYSA-N -1 1 303.322 0.338 20 0 DCADMM CC(C)CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574116916 949439540 /nfs/dbraw/zinc/43/95/40/949439540.db2.gz HGKCREZCAWQNSF-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CC(C)CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574116916 949439555 /nfs/dbraw/zinc/43/95/55/949439555.db2.gz HGKCREZCAWQNSF-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CC(C)CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574117732 949480040 /nfs/dbraw/zinc/48/00/40/949480040.db2.gz ZUCMVQWRGWRWIE-JTQLQIEISA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574117732 949480051 /nfs/dbraw/zinc/48/00/51/949480051.db2.gz ZUCMVQWRGWRWIE-JTQLQIEISA-N -1 1 316.369 0.398 20 0 DCADMM CC1(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575537036 949485247 /nfs/dbraw/zinc/48/52/47/949485247.db2.gz QTLIRDCWYSLIJM-SECBINFHSA-N -1 1 314.353 0.470 20 0 DCADMM CC1(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575537036 949485263 /nfs/dbraw/zinc/48/52/63/949485263.db2.gz QTLIRDCWYSLIJM-SECBINFHSA-N -1 1 314.353 0.470 20 0 DCADMM C/C=C(/C)C(=O)NCCCN1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001265241705 949485518 /nfs/dbraw/zinc/48/55/18/949485518.db2.gz DTLQEFYOGCFZOW-BASWHVEKSA-N -1 1 322.413 0.100 20 0 DCADMM CCN(CC)C(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001329338406 949514592 /nfs/dbraw/zinc/51/45/92/949514592.db2.gz GACNLRXVONDNPS-LBPRGKRZSA-N -1 1 323.315 0.524 20 0 DCADMM CC(=O)NC1(C(=O)N2CC[C@H](c3nn[n-]n3)C2)CCCCC1 ZINC001364566659 949561885 /nfs/dbraw/zinc/56/18/85/949561885.db2.gz DRZWXAMBHMCWCA-NSHDSACASA-N -1 1 306.370 0.355 20 0 DCADMM CSc1ncc(C(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)c(=O)[n-]1 ZINC001364592969 949606386 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CC/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001489559678 949881416 /nfs/dbraw/zinc/88/14/16/949881416.db2.gz ITODRCGGDSDJEG-MQBWTGGOSA-N -1 1 319.361 0.445 20 0 DCADMM COc1nscc1S(=O)(=O)[N-][C@@H]1CCCCNC1=O ZINC001364757877 949887154 /nfs/dbraw/zinc/88/71/54/949887154.db2.gz GXDKOEMARMURRH-SSDOTTSWSA-N -1 1 305.381 0.099 20 0 DCADMM COc1nscc1S(=O)(=O)[N-]Cc1nnc(C)n1C ZINC001364770597 949907608 /nfs/dbraw/zinc/90/76/08/949907608.db2.gz WJYABUHCDJJOCO-UHFFFAOYSA-N -1 1 303.369 0.067 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)N[C@H](C)Cn2cncn2)c1 ZINC001364771373 949914674 /nfs/dbraw/zinc/91/46/74/949914674.db2.gz ZROZTFUZVKQTII-SECBINFHSA-N -1 1 312.351 0.359 20 0 DCADMM O=C(CSCc1cscn1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548763536 1013095394 /nfs/dbraw/zinc/09/53/94/1013095394.db2.gz IEOXYUUZEPSLIY-MRVPVSSYSA-N -1 1 310.408 0.906 20 0 DCADMM CCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001489619056 949929706 /nfs/dbraw/zinc/92/97/06/949929706.db2.gz 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COC(=O)c1cc(C)c(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)o1 ZINC001412425108 952793113 /nfs/dbraw/zinc/79/31/13/952793113.db2.gz GJFWYHKOSZRKKD-MRVPVSSYSA-N -1 1 321.293 0.101 20 0 DCADMM Cc1cnn(CC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001412482761 952834189 /nfs/dbraw/zinc/83/41/89/952834189.db2.gz DZLZTFBVAFBRPS-UHFFFAOYSA-N -1 1 303.322 0.076 20 0 DCADMM CC(=O)Nc1ccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1 ZINC001412483320 952835037 /nfs/dbraw/zinc/83/50/37/952835037.db2.gz AFFVDYZYFFODQF-LLVKDONJSA-N -1 1 300.322 0.788 20 0 DCADMM CC(C)n1cnc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001412490379 952840799 /nfs/dbraw/zinc/84/07/99/952840799.db2.gz SSSAVABDASOWOA-UHFFFAOYSA-N -1 1 317.349 0.962 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)CC1(O)CCC1 ZINC001412492364 952842792 /nfs/dbraw/zinc/84/27/92/952842792.db2.gz NINADKDVOTYLJL-NSHDSACASA-N -1 1 321.377 0.669 20 0 DCADMM C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC001412530113 952870998 /nfs/dbraw/zinc/87/09/98/952870998.db2.gz HOPCQEVSOOJIOM-IEBDPFPHSA-N -1 1 317.353 0.189 20 0 DCADMM C=C1c2ccccc2C(=O)N1CC(=O)NC1(c2nn[n-]n2)CCC1 ZINC001412538442 952877260 /nfs/dbraw/zinc/87/72/60/952877260.db2.gz IEQOHYFEEFJGGA-UHFFFAOYSA-N -1 1 324.344 0.822 20 0 DCADMM Cc1cnc(C(=O)N2CCC(O)(c3ncnn3C)CC2)c([O-])c1 ZINC001412540047 952879154 /nfs/dbraw/zinc/87/91/54/952879154.db2.gz CBBBYMIKRDCWRL-UHFFFAOYSA-N -1 1 317.349 0.348 20 0 DCADMM Cc1cc(C)nc(SCC(=O)NC2(c3nn[n-]n3)CCC2)n1 ZINC001412540563 952879328 /nfs/dbraw/zinc/87/93/28/952879328.db2.gz KQIUECSCLMYDQM-UHFFFAOYSA-N -1 1 319.394 0.894 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)C(=O)NC(C)(C)/C=C/Cl)ccnc1-2 ZINC001337617464 952887898 /nfs/dbraw/zinc/88/78/98/952887898.db2.gz HQNPRAXFDNYNAV-LZGHNAOBSA-N -1 1 321.768 0.928 20 0 DCADMM NC(=O)CN(Cc1ccccc1)C(=O)CCCc1nn[n-]n1 ZINC001412550249 952891615 /nfs/dbraw/zinc/89/16/15/952891615.db2.gz ZOWNEFFAOULIRB-UHFFFAOYSA-N -1 1 302.338 0.037 20 0 DCADMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)c1cncnc1 ZINC001412587401 952918026 /nfs/dbraw/zinc/91/80/26/952918026.db2.gz KIMBKFAFUOXNJZ-SNVBAGLBSA-N -1 1 316.321 0.749 20 0 DCADMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)c1cncnc1 ZINC001412587401 952918030 /nfs/dbraw/zinc/91/80/30/952918030.db2.gz KIMBKFAFUOXNJZ-SNVBAGLBSA-N -1 1 316.321 0.749 20 0 DCADMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)c1cncnc1 ZINC001412587401 952918033 /nfs/dbraw/zinc/91/80/33/952918033.db2.gz KIMBKFAFUOXNJZ-SNVBAGLBSA-N -1 1 316.321 0.749 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N1CC(C(F)(F)F)C1 ZINC001412590283 952922128 /nfs/dbraw/zinc/92/21/28/952922128.db2.gz KSQORPFNDFJWQK-UHFFFAOYSA-N -1 1 303.240 0.538 20 0 DCADMM COC[C@H](NC(=O)c1cccc2c1CCOC2)c1nn[n-]n1 ZINC001412613702 952939107 /nfs/dbraw/zinc/93/91/07/952939107.db2.gz VAVMCKSEIVSXMR-LBPRGKRZSA-N -1 1 303.322 0.390 20 0 DCADMM Cc1cc(N2CC[C@H](NC(=O)c3ccc([O-])cn3)C2=O)n(C)n1 ZINC001412620266 952944622 /nfs/dbraw/zinc/94/46/22/952944622.db2.gz MUWUHUHDDBCKGV-LBPRGKRZSA-N -1 1 315.333 0.364 20 0 DCADMM CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)CCc1nn[n-]n1 ZINC001412621273 952946040 /nfs/dbraw/zinc/94/60/40/952946040.db2.gz YONIXCYJQYRCDP-CYBMUJFWSA-N -1 1 318.337 0.290 20 0 DCADMM NS(=O)(=O)C1(CNC(=O)c2c(F)ccc([O-])c2F)CCC1 ZINC001412621375 952946210 /nfs/dbraw/zinc/94/62/10/952946210.db2.gz STOLKWCFTRXMQY-UHFFFAOYSA-N -1 1 320.317 0.611 20 0 DCADMM Cn1c(Cc2nnn[n-]2)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001338273577 952987845 /nfs/dbraw/zinc/98/78/45/952987845.db2.gz ULKHUKZNVIKYMI-GFCCVEGCSA-N -1 1 310.365 0.913 20 0 DCADMM Cn1c(Cc2nn[n-]n2)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001338273577 952987847 /nfs/dbraw/zinc/98/78/47/952987847.db2.gz ULKHUKZNVIKYMI-GFCCVEGCSA-N -1 1 310.365 0.913 20 0 DCADMM CNC(=O)CCCC(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001412687790 952996043 /nfs/dbraw/zinc/99/60/43/952996043.db2.gz DRSOIQLQNAYWJF-UHFFFAOYSA-N -1 1 310.354 0.113 20 0 DCADMM Cc1conc1C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001412701739 953006201 /nfs/dbraw/zinc/00/62/01/953006201.db2.gz BZSBNUHTHAZWIY-SNVBAGLBSA-N -1 1 318.333 0.974 20 0 DCADMM O=C(CCCc1nn[n-]n1)NC[C@H]1CCC2(CCOCC2)O1 ZINC001412728240 953026370 /nfs/dbraw/zinc/02/63/70/953026370.db2.gz MADNCMQMEWHZRU-LLVKDONJSA-N -1 1 309.370 0.367 20 0 DCADMM CN(c1nnc(-c2noc(=O)[n-]2)n1C)C1Cc2ccccc2C1 ZINC001339350086 953088669 /nfs/dbraw/zinc/08/86/69/953088669.db2.gz CJQKLPSLVUUXFQ-UHFFFAOYSA-N -1 1 312.333 0.762 20 0 DCADMM CNC(=O)CCCC(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001412777374 953088920 /nfs/dbraw/zinc/08/89/20/953088920.db2.gz UGKOPBWSJDLMMJ-JTQLQIEISA-N -1 1 322.365 0.771 20 0 DCADMM C[C@@]12CSC[C@@H]1CN(C(=O)CNC(=O)c1ncccc1[O-])C2 ZINC001412779284 953090110 /nfs/dbraw/zinc/09/01/10/953090110.db2.gz WCVZODNALRDGEY-ZUZCIYMTSA-N -1 1 321.402 0.729 20 0 DCADMM O=C(NC[C@@H](CO)NC(=O)C1CCCC1)c1ncccc1[O-] ZINC001412814774 953107852 /nfs/dbraw/zinc/10/78/52/953107852.db2.gz RPSQMCMWOIJOOZ-NSHDSACASA-N -1 1 307.350 0.184 20 0 DCADMM O=C(c1ccc(F)c(=O)[n-]1)N1CC2(C[C@@H]2C(=O)N2CC=CC2)C1 ZINC001276304312 953139038 /nfs/dbraw/zinc/13/90/38/953139038.db2.gz AYOOCRUCTCKZGD-SNVBAGLBSA-N -1 1 317.320 0.787 20 0 DCADMM O=C([O-])[C@@]1(C(=O)N[C@@H]2CCc3ccc(F)cc32)CNCCO1 ZINC001341437058 953230735 /nfs/dbraw/zinc/23/07/35/953230735.db2.gz HIPPUYBSJYGZSS-DOMZBBRYSA-N -1 1 308.309 0.372 20 0 DCADMM O=C([O-])[C@]1(C(=O)NCC[C@@H]2CC2(Cl)Cl)CNCCO1 ZINC001341435865 953231164 /nfs/dbraw/zinc/23/11/64/953231164.db2.gz XDBGYFWMBUVGBG-GMSGAONNSA-N -1 1 311.165 0.130 20 0 DCADMM O=C([O-])[C@]1(C(=O)N2CC3(CC3)c3ccccc32)CNCCO1 ZINC001341567623 953237995 /nfs/dbraw/zinc/23/79/95/953237995.db2.gz OUKUQLGAGXIDPN-MRXNPFEDSA-N -1 1 302.330 0.508 20 0 DCADMM CCc1cnc(CN(C)C(=O)[C@@]2(C(=O)[O-])CNCCO2)s1 ZINC001341620449 953241148 /nfs/dbraw/zinc/24/11/48/953241148.db2.gz XNCYPZUBLOLPHZ-CYBMUJFWSA-N -1 1 313.379 0.107 20 0 DCADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)[C@@]1(C(=O)[O-])CNCCO1 ZINC001342198538 953275380 /nfs/dbraw/zinc/27/53/80/953275380.db2.gz NUMFOZBKRSZUNW-CZUORRHYSA-N -1 1 324.352 0.706 20 0 DCADMM O=C([O-])[C@@]1(C(=O)N2CCC[C@@H](c3ccccc3)C2)CNCCO1 ZINC001342191674 953275598 /nfs/dbraw/zinc/27/55/98/953275598.db2.gz VOUYUOICQRDVEZ-PBHICJAKSA-N -1 1 318.373 0.836 20 0 DCADMM O=C([O-])[C@]1(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)CNCCO1 ZINC001342583145 953296980 /nfs/dbraw/zinc/29/69/80/953296980.db2.gz HVGLDEXWBSUMFX-IFUGULHKSA-N -1 1 324.308 0.018 20 0 DCADMM C[C@@H]1C[C@H](C(=O)[O-])CN(CN2C[C@H](c3cncn3C)CC2=O)C1 ZINC001589280691 953507155 /nfs/dbraw/zinc/50/71/55/953507155.db2.gz KJBQGRGAPVSSPV-UPJWGTAASA-N -1 1 320.393 0.736 20 0 DCADMM COc1ccc(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)o1 ZINC001366060029 953635450 /nfs/dbraw/zinc/63/54/50/953635450.db2.gz QKMNTTZNOWMKBY-VIFPVBQESA-N -1 1 321.337 0.410 20 0 DCADMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1CN([C@@H]2CCOC2)C1 ZINC001594785618 953667057 /nfs/dbraw/zinc/66/70/57/953667057.db2.gz LNJSVWWRKYSKMG-CABCVRRESA-N -1 1 318.373 0.519 20 0 DCADMM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCC(N2CCOCC2)CC1 ZINC001594793504 953700159 /nfs/dbraw/zinc/70/01/59/953700159.db2.gz LBSQVCRUEKRAGU-AKJUYKBHSA-N -1 1 310.394 0.857 20 0 DCADMM C[C@H]1CC[C@@H](NCc2c(C(=O)[O-])cnn2C)CS1(=O)=O ZINC001589313444 953814430 /nfs/dbraw/zinc/81/44/30/953814430.db2.gz UKHUAWSZHIHGJP-DTWKUNHWSA-N -1 1 301.368 0.174 20 0 DCADMM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cnncc2[O-])C1 ZINC001346798732 953963631 /nfs/dbraw/zinc/96/36/31/953963631.db2.gz DBDMJIFHTYLPRA-MRVPVSSYSA-N -1 1 320.378 0.619 20 0 DCADMM Cc1ccc(C(=O)NC[C@H](C)NCc2n[nH]c(=O)[n-]2)cc1F ZINC001366304152 953990278 /nfs/dbraw/zinc/99/02/78/953990278.db2.gz MDRNOVVNYDNIJF-VIFPVBQESA-N -1 1 307.329 0.866 20 0 DCADMM C[C@@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NCc1n[nH]c(=O)[n-]1 ZINC001366314450 954007103 /nfs/dbraw/zinc/00/71/03/954007103.db2.gz ZPMPTVRUVBKVSO-UWVGGRQHSA-N -1 1 321.385 0.032 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCO[C@@H](C(F)F)C1 ZINC001347098429 954024076 /nfs/dbraw/zinc/02/40/76/954024076.db2.gz SCARLGLMLRNVDH-ZCFIWIBFSA-N -1 1 305.306 0.885 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC1([S@](C)=O)CC1 ZINC001347545192 954117633 /nfs/dbraw/zinc/11/76/33/954117633.db2.gz SOVFYGKOAVPOAE-IBGZPJMESA-N -1 1 301.393 0.420 20 0 DCADMM O=C([O-])[C@]1(C(=O)N2CCC(c3nn[nH]n3)CC2)CC=CCC1 ZINC001594848188 954161194 /nfs/dbraw/zinc/16/11/94/954161194.db2.gz XUEGKOGMVYVFSC-CQSZACIVSA-N -1 1 305.338 0.717 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)[C@H]1CCCCN(C)C1=O ZINC001347878234 954176136 /nfs/dbraw/zinc/17/61/36/954176136.db2.gz CWDBARDGDOXJAJ-VIFPVBQESA-N -1 1 324.406 0.862 20 0 DCADMM COC(=O)c1ccc(C(=O)O[C@@H]2C[C@@H](C(=O)OC)N(C)C2)[n-]1 ZINC001347923069 954178726 /nfs/dbraw/zinc/17/87/26/954178726.db2.gz DPSJPMVAQRQJJX-KCJUWKMLSA-N -1 1 310.306 0.204 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)CCCNC(=O)OC)nc2n1 ZINC001348040485 954194155 /nfs/dbraw/zinc/19/41/55/954194155.db2.gz GJAIEVLEVMISDG-UHFFFAOYSA-N -1 1 322.325 0.055 20 0 DCADMM C[C@@H]1CN(C(=O)CN(C)[C@H]2CCSC2)CC[C@H]1C(=O)[O-] ZINC001589375822 954253481 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CS(=O)(=O)N1CC[C@@H](CNC(=O)c2cccc([O-])c2F)C1 ZINC001362483130 959443233 /nfs/dbraw/zinc/44/32/33/959443233.db2.gz WQXOJMZQHPNSGH-VIFPVBQESA-N -1 1 316.354 0.543 20 0 DCADMM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001464004681 1013190535 /nfs/dbraw/zinc/19/05/35/1013190535.db2.gz CYLJJJPHEWHZRF-WPRPVWTQSA-N -1 1 319.383 0.272 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC001362484510 959446362 /nfs/dbraw/zinc/44/63/62/959446362.db2.gz STEJAAZKINNIMU-NHYWBVRUSA-N -1 1 321.333 0.680 20 0 DCADMM C[C@H](CO)N(Cc1ccccc1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC001594233512 959492754 /nfs/dbraw/zinc/49/27/54/959492754.db2.gz RENJTJZSMQYNAK-OCCSQVGLSA-N -1 1 306.362 0.555 20 0 DCADMM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC001588634565 959639576 /nfs/dbraw/zinc/63/95/76/959639576.db2.gz LURQQEBOKWCPIQ-WPRPVWTQSA-N -1 1 310.354 0.672 20 0 DCADMM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCc1n[nH]c([C@H]2CCOC2)n1 ZINC001588634565 959639589 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CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCCC(=O)OC)n1 ZINC001362660517 959788026 /nfs/dbraw/zinc/78/80/26/959788026.db2.gz NOGDUGOTRAJDHW-QMMMGPOBSA-N -1 1 312.326 0.502 20 0 DCADMM CCC(CC)(NC(=O)c1ccc(C(=O)[O-])cn1)c1nn[nH]n1 ZINC001573694343 959788398 /nfs/dbraw/zinc/78/83/98/959788398.db2.gz MHLXDKXGQVCEGG-UHFFFAOYSA-N -1 1 304.310 0.738 20 0 DCADMM CSCC[C@H](NC(=O)COCc1ccccn1)c1nn[n-]n1 ZINC001362679574 959818343 /nfs/dbraw/zinc/81/83/43/959818343.db2.gz FYKHVJJQUJKVSS-NSHDSACASA-N -1 1 322.394 0.722 20 0 DCADMM O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)c2ccc([O-])cn2)C1 ZINC001362702786 959857573 /nfs/dbraw/zinc/85/75/73/959857573.db2.gz IRMGLVWNOFLGBV-MRVPVSSYSA-N -1 1 317.267 0.928 20 0 DCADMM O=C(NCc1nnnn1CC1CC1)c1cnc(C2CC2)[n-]c1=O ZINC001362706704 959863172 /nfs/dbraw/zinc/86/31/72/959863172.db2.gz RCEDNNJYQQVNMR-UHFFFAOYSA-N -1 1 315.337 0.386 20 0 DCADMM CN1CCC[C@@H]1CNS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000225784259 959864270 /nfs/dbraw/zinc/86/42/70/959864270.db2.gz KPAMBEZQKLDEQY-MRVPVSSYSA-N -1 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CC(C)c1nc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c[nH]1 ZINC001362974275 960246207 /nfs/dbraw/zinc/24/62/07/960246207.db2.gz TYJAENZXEBIKMY-SECBINFHSA-N -1 1 307.383 0.977 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC001363031247 960320002 /nfs/dbraw/zinc/32/00/02/960320002.db2.gz SMHHSESOOIXEAH-IUCAKERBSA-N -1 1 313.379 0.434 20 0 DCADMM COC(=O)[C@H]1CCC[C@@H](C(=O)NCc2nc([O-])cc(=O)[nH]2)C1 ZINC001363037390 960326039 /nfs/dbraw/zinc/32/60/39/960326039.db2.gz KMLXDTBKBRZIKY-BDAKNGLRSA-N -1 1 309.322 0.483 20 0 DCADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@@H](O)c2cccnc2)n[n-]1 ZINC001363045706 960340432 /nfs/dbraw/zinc/34/04/32/960340432.db2.gz IWLNVDZCNJMWAG-SCZZXKLOSA-N -1 1 319.321 0.287 20 0 DCADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@H](O)c2cccnc2)[n-]1 ZINC001363045706 960340441 /nfs/dbraw/zinc/34/04/41/960340441.db2.gz IWLNVDZCNJMWAG-SCZZXKLOSA-N -1 1 319.321 0.287 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@@H](O)c2cccnc2)n1 ZINC001363045706 960340450 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CC1(C)OC[C@@H]2C[C@@]21NC(=O)CNC(=O)c1ncccc1[O-] ZINC001363078010 960377566 /nfs/dbraw/zinc/37/75/66/960377566.db2.gz QZUPFWAJGASVOA-BJOHPYRUSA-N -1 1 305.334 0.201 20 0 DCADMM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC001363086202 960386787 /nfs/dbraw/zinc/38/67/87/960386787.db2.gz FFGKPCMHWSYJKH-VIFPVBQESA-N -1 1 316.354 0.815 20 0 DCADMM CSCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)c1nn[n-]n1 ZINC001363099341 960398570 /nfs/dbraw/zinc/39/85/70/960398570.db2.gz IZWLIJLNBSZZRJ-BBBLOLIVSA-N -1 1 321.410 0.647 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)CCCn2cccc2)n[n-]1 ZINC001363115677 960420157 /nfs/dbraw/zinc/42/01/57/960420157.db2.gz ANYJBVBILLCAGT-UHFFFAOYSA-N -1 1 305.338 0.880 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)CCCn2cccc2)n1 ZINC001363115677 960420163 /nfs/dbraw/zinc/42/01/63/960420163.db2.gz ANYJBVBILLCAGT-UHFFFAOYSA-N -1 1 305.338 0.880 20 0 DCADMM O=C(NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cncs1 ZINC001377677708 960423008 /nfs/dbraw/zinc/42/30/08/960423008.db2.gz 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COCC[C@H](C)C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001376259336 965449255 /nfs/dbraw/zinc/44/92/55/965449255.db2.gz JXDZHQJUTMSLDR-LBPRGKRZSA-N -1 1 323.393 0.990 20 0 DCADMM CN(CCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)c1ncccc1[O-] ZINC001376262827 965453069 /nfs/dbraw/zinc/45/30/69/965453069.db2.gz WRNXTDIAXWDYPQ-PJXYFTJBSA-N -1 1 319.361 0.210 20 0 DCADMM C[C@H](C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1)C(F)(F)F ZINC001374519716 965479932 /nfs/dbraw/zinc/47/99/32/965479932.db2.gz IORXEPKIUAAXFU-MRVPVSSYSA-N -1 1 323.319 0.197 20 0 DCADMM Cc1nnsc1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001376729737 966082047 /nfs/dbraw/zinc/08/20/47/966082047.db2.gz SFFKJRQEJSYTKI-SSDOTTSWSA-N -1 1 321.362 0.495 20 0 DCADMM C[C@@H](NC(=O)c1cc(C2CC2)n[nH]1)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001447896449 1013631875 /nfs/dbraw/zinc/63/18/75/1013631875.db2.gz BKTSOBVGONDQAL-JGVFFNPUSA-N -1 1 319.369 0.407 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@@H](C)OC ZINC001375058967 966297553 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ZINC000821575938 606521197 /nfs/dbraw/zinc/52/11/97/606521197.db2.gz VTFQHOXTNCUXPF-QMMMGPOBSA-N -1 1 320.378 0.621 20 0 DCADMM COc1cc(OC)cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC000821723506 606530983 /nfs/dbraw/zinc/53/09/83/606530983.db2.gz BWKWSQISWVNHRA-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM COc1cc(OC)cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC000821723506 606530984 /nfs/dbraw/zinc/53/09/84/606530984.db2.gz BWKWSQISWVNHRA-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1OC ZINC000821772699 606531007 /nfs/dbraw/zinc/53/10/07/606531007.db2.gz MGOTZDKXHFIEOY-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1OC ZINC000821772699 606531008 /nfs/dbraw/zinc/53/10/08/606531008.db2.gz MGOTZDKXHFIEOY-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM O=C(CSc1ccncc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823070993 606531481 /nfs/dbraw/zinc/53/14/81/606531481.db2.gz WQHKWAATHDMSCO-UHFFFAOYSA-N -1 1 302.323 0.716 20 0 DCADMM O=C(CSc1ccncc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823070993 606531482 /nfs/dbraw/zinc/53/14/82/606531482.db2.gz WQHKWAATHDMSCO-UHFFFAOYSA-N -1 1 302.323 0.716 20 0 DCADMM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820876087 606537403 /nfs/dbraw/zinc/53/74/03/606537403.db2.gz LKDYRTWFNOWJFD-HTQZYQBOSA-N -1 1 322.394 0.961 20 0 DCADMM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820876087 606537405 /nfs/dbraw/zinc/53/74/05/606537405.db2.gz LKDYRTWFNOWJFD-HTQZYQBOSA-N -1 1 322.394 0.961 20 0 DCADMM O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823160539 606561458 /nfs/dbraw/zinc/56/14/58/606561458.db2.gz CQPFBOTTYTXVHN-SSDOTTSWSA-N -1 1 316.350 0.265 20 0 DCADMM O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823160539 606561459 /nfs/dbraw/zinc/56/14/59/606561459.db2.gz CQPFBOTTYTXVHN-SSDOTTSWSA-N -1 1 316.350 0.265 20 0 DCADMM COCCOC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821692486 606573195 /nfs/dbraw/zinc/57/31/95/606573195.db2.gz YZKGWAQPYVWQJH-QMMMGPOBSA-N -1 1 311.367 0.710 20 0 DCADMM COCCOC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821692486 606573196 /nfs/dbraw/zinc/57/31/96/606573196.db2.gz YZKGWAQPYVWQJH-QMMMGPOBSA-N -1 1 311.367 0.710 20 0 DCADMM CCCCCCNC(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000821056842 606614513 /nfs/dbraw/zinc/61/45/13/606614513.db2.gz YVNFKXAMKNGNLF-UHFFFAOYSA-N -1 1 304.354 0.725 20 0 DCADMM O=C(OCC[C@@H]1CCOC1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823401652 606635505 /nfs/dbraw/zinc/63/55/05/606635505.db2.gz ZUKOXXANFJAKKA-QMMMGPOBSA-N -1 1 303.278 0.372 20 0 DCADMM O=C(OCC[C@@H]1CCOC1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823401652 606635506 /nfs/dbraw/zinc/63/55/06/606635506.db2.gz ZUKOXXANFJAKKA-QMMMGPOBSA-N -1 1 303.278 0.372 20 0 DCADMM O=C(NC[C@H]1CSCCS1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823183533 606690133 /nfs/dbraw/zinc/69/01/33/606690133.db2.gz ZACNOOPXSXMOFD-VIFPVBQESA-N -1 1 322.419 0.840 20 0 DCADMM O=C(NC[C@H]1CSCCS1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823183533 606690134 /nfs/dbraw/zinc/69/01/34/606690134.db2.gz ZACNOOPXSXMOFD-VIFPVBQESA-N -1 1 322.419 0.840 20 0 DCADMM COCCN(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821689017 606842948 /nfs/dbraw/zinc/84/29/48/606842948.db2.gz HXZTUWBEDKFHIC-UHFFFAOYSA-N -1 1 315.330 0.273 20 0 DCADMM C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)nc1)[S@@](C)=O ZINC000820241904 607098782 /nfs/dbraw/zinc/09/87/82/607098782.db2.gz JVSSODMZAWGBCW-HXNGOWOSSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)nc1)[S@@](C)=O ZINC000820241904 607098784 /nfs/dbraw/zinc/09/87/84/607098784.db2.gz JVSSODMZAWGBCW-HXNGOWOSSA-N -1 1 308.367 0.149 20 0 DCADMM O=C(Cn1ccccc1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823122516 607105395 /nfs/dbraw/zinc/10/53/95/607105395.db2.gz DPWYQRJYHIVNQA-UHFFFAOYSA-N -1 1 303.307 0.124 20 0 DCADMM O=C(Cn1ccccc1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823122516 607105397 /nfs/dbraw/zinc/10/53/97/607105397.db2.gz DPWYQRJYHIVNQA-UHFFFAOYSA-N -1 1 303.307 0.124 20 0 DCADMM COc1ncccc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821920000 607108209 /nfs/dbraw/zinc/10/82/09/607108209.db2.gz JQHZNVWRVILNCR-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1ncccc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821920000 607108211 /nfs/dbraw/zinc/10/82/11/607108211.db2.gz JQHZNVWRVILNCR-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCCCCC1 ZINC000821571805 607206236 /nfs/dbraw/zinc/20/62/36/607206236.db2.gz GDHMJUCXOXBHAQ-UHFFFAOYSA-N -1 1 304.358 0.639 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2c(c1)CCO2 ZINC000823136255 607207754 /nfs/dbraw/zinc/20/77/54/607207754.db2.gz QUTZXOBYMCPCSL-UHFFFAOYSA-N -1 1 312.293 0.032 20 0 DCADMM CC(C)(C)CCCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819906702 607213828 /nfs/dbraw/zinc/21/38/28/607213828.db2.gz JFVZUDACMMCFPP-UHFFFAOYSA-N -1 1 306.374 0.791 20 0 DCADMM CC(C)[C@@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820037800 607214000 /nfs/dbraw/zinc/21/40/00/607214000.db2.gz IEIHGAUVVZKNMP-MNOVXSKESA-N -1 1 318.385 0.789 20 0 DCADMM Cc1nc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cs1 ZINC000822427540 607215399 /nfs/dbraw/zinc/21/53/99/607215399.db2.gz PDWAKXXRFPXEFJ-LURJTMIESA-N -1 1 319.354 0.101 20 0 DCADMM CCC[C@@H]1SCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821040205 607217542 /nfs/dbraw/zinc/21/75/42/607217542.db2.gz JWCPBJLDWUEZGM-VIFPVBQESA-N -1 1 308.371 0.160 20 0 DCADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820650648 607221553 /nfs/dbraw/zinc/22/15/53/607221553.db2.gz XADCVGHCSVXLSI-ZJUUUORDSA-N -1 1 318.385 0.789 20 0 DCADMM CCC1(CC)CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820956916 607222871 /nfs/dbraw/zinc/22/28/71/607222871.db2.gz LAUWYHXTOLHAPK-UHFFFAOYSA-N -1 1 304.358 0.497 20 0 DCADMM C[C@H]1OCC[C@@H]1S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825022656 607813986 /nfs/dbraw/zinc/81/39/86/607813986.db2.gz YUVQCHRCJSZFQO-KCJUWKMLSA-N -1 1 309.351 0.354 20 0 DCADMM C[C@H]1OCC[C@@H]1S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825022656 607813987 /nfs/dbraw/zinc/81/39/87/607813987.db2.gz YUVQCHRCJSZFQO-KCJUWKMLSA-N -1 1 309.351 0.354 20 0 DCADMM Cn1ccnc1[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826364246 607914116 /nfs/dbraw/zinc/91/41/16/607914116.db2.gz PMWARIWRLBOBPW-NSHDSACASA-N -1 1 324.348 0.625 20 0 DCADMM Cn1ccnc1[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826364246 607914117 /nfs/dbraw/zinc/91/41/17/607914117.db2.gz PMWARIWRLBOBPW-NSHDSACASA-N -1 1 324.348 0.625 20 0 DCADMM CC(C)c1nncn1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000824364523 607991045 /nfs/dbraw/zinc/99/10/45/607991045.db2.gz KEPXRNIQJCKXOP-UHFFFAOYSA-N -1 1 300.330 0.484 20 0 DCADMM CC(C)c1nncn1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000824364523 607991046 /nfs/dbraw/zinc/99/10/46/607991046.db2.gz KEPXRNIQJCKXOP-UHFFFAOYSA-N -1 1 300.330 0.484 20 0 DCADMM CC(C)(C)C1=CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000824071072 608003501 /nfs/dbraw/zinc/00/35/01/608003501.db2.gz FZLIRNKXZSCTAC-UHFFFAOYSA-N -1 1 316.369 0.663 20 0 DCADMM COCc1nc(C)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)s1 ZINC000826165081 608011636 /nfs/dbraw/zinc/01/16/36/608011636.db2.gz DWPOBDOIZQUTKW-UHFFFAOYSA-N -1 1 320.338 0.245 20 0 DCADMM COc1ccc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(OC)c1 ZINC000826187451 608013320 /nfs/dbraw/zinc/01/33/20/608013320.db2.gz QSGXKRWGSFWDEZ-UHFFFAOYSA-N -1 1 314.305 0.963 20 0 DCADMM COc1ccc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(OC)c1 ZINC000826187451 608013321 /nfs/dbraw/zinc/01/33/21/608013321.db2.gz QSGXKRWGSFWDEZ-UHFFFAOYSA-N -1 1 314.305 0.963 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCc2ccccc2C1 ZINC000826424971 608013637 /nfs/dbraw/zinc/01/36/37/608013637.db2.gz KMCYEFIZGXJMJR-UHFFFAOYSA-N -1 1 309.333 0.648 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCc2ccccc2C1 ZINC000826424971 608013638 /nfs/dbraw/zinc/01/36/38/608013638.db2.gz KMCYEFIZGXJMJR-UHFFFAOYSA-N -1 1 309.333 0.648 20 0 DCADMM CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825508286 608028016 /nfs/dbraw/zinc/02/80/16/608028016.db2.gz WEVXLYKJUUWJNO-SECBINFHSA-N -1 1 318.337 0.723 20 0 DCADMM CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825508286 608028017 /nfs/dbraw/zinc/02/80/17/608028017.db2.gz WEVXLYKJUUWJNO-SECBINFHSA-N -1 1 318.337 0.723 20 0 DCADMM CSC[C@@H](CCO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826228294 608074046 /nfs/dbraw/zinc/07/40/46/608074046.db2.gz LBIKOZLDEXFGHR-SECBINFHSA-N -1 1 308.367 0.106 20 0 DCADMM CSC[C@@H](CCO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826228294 608074047 /nfs/dbraw/zinc/07/40/47/608074047.db2.gz LBIKOZLDEXFGHR-SECBINFHSA-N -1 1 308.367 0.106 20 0 DCADMM C[C@@]1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO[C@@H]1C1CC1 ZINC000824833077 608140494 /nfs/dbraw/zinc/14/04/94/608140494.db2.gz XADCYOCCQZBEHG-IUODEOHRSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@@]1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO[C@@H]1C1CC1 ZINC000824833077 608140495 /nfs/dbraw/zinc/14/04/95/608140495.db2.gz XADCYOCCQZBEHG-IUODEOHRSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCCc1ccc(F)cc1 ZINC000826425358 608147903 /nfs/dbraw/zinc/14/79/03/608147903.db2.gz ZQIJUPCOYIKVDG-UHFFFAOYSA-N -1 1 315.312 0.561 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCCc1ccc(F)cc1 ZINC000826425358 608147904 /nfs/dbraw/zinc/14/79/04/608147904.db2.gz ZQIJUPCOYIKVDG-UHFFFAOYSA-N -1 1 315.312 0.561 20 0 DCADMM COCCN(Cc1ccccn1)c1ccc(-c2nnn[n-]2)nn1 ZINC000826159203 608401077 /nfs/dbraw/zinc/40/10/77/608401077.db2.gz WMFVQAZMERGICE-UHFFFAOYSA-N -1 1 312.337 0.705 20 0 DCADMM COCCN(Cc1ccccn1)c1ccc(-c2nn[n-]n2)nn1 ZINC000826159203 608401079 /nfs/dbraw/zinc/40/10/79/608401079.db2.gz WMFVQAZMERGICE-UHFFFAOYSA-N -1 1 312.337 0.705 20 0 DCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(=O)NCc1ccco1 ZINC000824650244 608406566 /nfs/dbraw/zinc/40/65/66/608406566.db2.gz QHMHBICSTMSUCO-MRVPVSSYSA-N -1 1 314.309 0.367 20 0 DCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(=O)NCc1ccco1 ZINC000824650244 608406567 /nfs/dbraw/zinc/40/65/67/608406567.db2.gz QHMHBICSTMSUCO-MRVPVSSYSA-N -1 1 314.309 0.367 20 0 DCADMM CC(C)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824176883 608411273 /nfs/dbraw/zinc/41/12/73/608411273.db2.gz CAJPEBZLWBYKPO-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CC(C)C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824176883 608411275 /nfs/dbraw/zinc/41/12/75/608411275.db2.gz CAJPEBZLWBYKPO-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CCc1nc2n(n1)C[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000825750229 608415665 /nfs/dbraw/zinc/41/56/65/608415665.db2.gz NCNGEDHOXDAUBB-MRVPVSSYSA-N -1 1 312.341 0.238 20 0 DCADMM CCc1nc2n(n1)C[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000825750229 608415667 /nfs/dbraw/zinc/41/56/67/608415667.db2.gz NCNGEDHOXDAUBB-MRVPVSSYSA-N -1 1 312.341 0.238 20 0 DCADMM CC(C)N1C(=O)CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC000824296870 608425843 /nfs/dbraw/zinc/42/58/43/608425843.db2.gz LNDIKUVVPBXSIC-UHFFFAOYSA-N -1 1 316.369 0.492 20 0 DCADMM CC(C)N1C(=O)CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC000824296870 608425844 /nfs/dbraw/zinc/42/58/44/608425844.db2.gz LNDIKUVVPBXSIC-UHFFFAOYSA-N -1 1 316.369 0.492 20 0 DCADMM CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824099830 608428174 /nfs/dbraw/zinc/42/81/74/608428174.db2.gz JLWYQGNWSTYDML-SECBINFHSA-N -1 1 317.353 0.825 20 0 DCADMM CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824099830 608428175 /nfs/dbraw/zinc/42/81/75/608428175.db2.gz JLWYQGNWSTYDML-SECBINFHSA-N -1 1 317.353 0.825 20 0 DCADMM COCCn1nc(C)c(Nc2ccc(-c3nnn[n-]3)nn2)c1C ZINC000826163773 608430046 /nfs/dbraw/zinc/43/00/46/608430046.db2.gz KQDVHGFBJHYVAA-UHFFFAOYSA-N -1 1 315.341 0.860 20 0 DCADMM COCCn1nc(C)c(Nc2ccc(-c3nn[n-]n3)nn2)c1C ZINC000826163773 608430048 /nfs/dbraw/zinc/43/00/48/608430048.db2.gz KQDVHGFBJHYVAA-UHFFFAOYSA-N -1 1 315.341 0.860 20 0 DCADMM c1cn(-c2cccc(Nc3ccc(-c4nnn[n-]4)nn3)c2)nn1 ZINC000826516849 608434797 /nfs/dbraw/zinc/43/47/97/608434797.db2.gz DYGOWSNAJBINON-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1cn(-c2cccc(Nc3ccc(-c4nn[n-]n4)nn3)c2)nn1 ZINC000826516849 608434798 /nfs/dbraw/zinc/43/47/98/608434798.db2.gz DYGOWSNAJBINON-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1ccc(CO[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC000826521614 608435109 /nfs/dbraw/zinc/43/51/09/608435109.db2.gz SFTUNICXGADYBP-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM c1ccc(CO[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC000826521614 608435111 /nfs/dbraw/zinc/43/51/11/608435111.db2.gz SFTUNICXGADYBP-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM C[C@H](CO)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824441173 608440180 /nfs/dbraw/zinc/44/01/80/608440180.db2.gz OPUBEQAPTVRQQJ-SSDOTTSWSA-N -1 1 315.330 0.007 20 0 DCADMM CCOC(=O)N1CCN(c2nc(-c3nnn[n-]3)ccc2C)CC1 ZINC000825523859 608540252 /nfs/dbraw/zinc/54/02/52/608540252.db2.gz WOMGFOPDDPGDCG-UHFFFAOYSA-N -1 1 317.353 0.849 20 0 DCADMM CCOC(=O)N1CCN(c2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC000825523859 608540253 /nfs/dbraw/zinc/54/02/53/608540253.db2.gz WOMGFOPDDPGDCG-UHFFFAOYSA-N -1 1 317.353 0.849 20 0 DCADMM CCOC(=O)C1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000825493723 608566189 /nfs/dbraw/zinc/56/61/89/608566189.db2.gz MPODXJMPXUWNAF-UHFFFAOYSA-N -1 1 317.305 0.648 20 0 DCADMM CCOC(=O)C1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000825493723 608566191 /nfs/dbraw/zinc/56/61/91/608566191.db2.gz MPODXJMPXUWNAF-UHFFFAOYSA-N -1 1 317.305 0.648 20 0 DCADMM CN1CCN(Cc2ccc(-c3nn[n-]n3)s2)C(C)(C)C1=O ZINC000826038446 608724033 /nfs/dbraw/zinc/72/40/33/608724033.db2.gz OSWLMYNDHQSYBD-UHFFFAOYSA-N -1 1 306.395 0.981 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1CCCO ZINC000826472866 609260307 /nfs/dbraw/zinc/26/03/07/609260307.db2.gz ZMHZRPZUOWDQBH-LLVKDONJSA-N -1 1 302.338 0.639 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1CCCO ZINC000826472866 609260309 /nfs/dbraw/zinc/26/03/09/609260309.db2.gz ZMHZRPZUOWDQBH-LLVKDONJSA-N -1 1 302.338 0.639 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC(C)(C)C ZINC000825930095 609269744 /nfs/dbraw/zinc/26/97/44/609269744.db2.gz PPZVJPXTEGTGTL-UHFFFAOYSA-N -1 1 321.389 0.545 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC(C)(C)C ZINC000825930095 609269747 /nfs/dbraw/zinc/26/97/47/609269747.db2.gz PPZVJPXTEGTGTL-UHFFFAOYSA-N -1 1 321.389 0.545 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826343452 609472423 /nfs/dbraw/zinc/47/24/23/609472423.db2.gz BCZQTRJRBBSQLK-OCAPTIKFSA-N -1 1 306.326 0.341 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826343452 609472425 /nfs/dbraw/zinc/47/24/25/609472425.db2.gz BCZQTRJRBBSQLK-OCAPTIKFSA-N -1 1 306.326 0.341 20 0 DCADMM CN(C)c1ncc(CN(C)c2cccc(-c3nnn[n-]3)n2)cn1 ZINC000825883702 609555654 /nfs/dbraw/zinc/55/56/54/609555654.db2.gz KWYISQVZTGLHFK-UHFFFAOYSA-N -1 1 311.353 0.754 20 0 DCADMM CN(C)c1ncc(CN(C)c2cccc(-c3nn[n-]n3)n2)cn1 ZINC000825883702 609555657 /nfs/dbraw/zinc/55/56/57/609555657.db2.gz KWYISQVZTGLHFK-UHFFFAOYSA-N -1 1 311.353 0.754 20 0 DCADMM Cc1nnc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000826335740 609613279 /nfs/dbraw/zinc/61/32/79/609613279.db2.gz ZQVMDIYHCBRRJY-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1nnc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000826335740 609613280 /nfs/dbraw/zinc/61/32/80/609613280.db2.gz ZQVMDIYHCBRRJY-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM CS(C)(=O)=NC(=O)C[N-]C(=O)C(F)(F)c1nccs1 ZINC000868949583 667615731 /nfs/dbraw/zinc/61/57/31/667615731.db2.gz JOQIPMZATRIFNK-UHFFFAOYSA-N -1 1 311.335 0.605 20 0 DCADMM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2CCCO2)C1)c1ncccc1[O-] ZINC000978741073 660598334 /nfs/dbraw/zinc/59/83/34/660598334.db2.gz SCTCZHDHWSQFDT-NTZNESFSSA-N -1 1 319.361 0.591 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000979432968 660745240 /nfs/dbraw/zinc/74/52/40/660745240.db2.gz QJTONQSEGMFLJF-NXEZZACHSA-N -1 1 311.386 0.262 20 0 DCADMM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21)[C@@H]1CC12CC2 ZINC000979504155 660762033 /nfs/dbraw/zinc/76/20/33/660762033.db2.gz OVVRHLZHENJFTB-SRRSOLGSSA-N -1 1 313.357 0.774 20 0 DCADMM O=C(N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1)c1cocn1 ZINC000979666580 660797782 /nfs/dbraw/zinc/79/77/82/660797782.db2.gz WVKOWJWVXXQDHH-MGCOHNPYSA-N -1 1 316.317 0.714 20 0 DCADMM Cc1noc(CN2CCC[C@@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001027844922 660829391 /nfs/dbraw/zinc/82/93/91/660829391.db2.gz YLWQDJGZWUYNJQ-LLVKDONJSA-N -1 1 317.349 0.873 20 0 DCADMM Cn1ccnc1CN1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001027844759 660829642 /nfs/dbraw/zinc/82/96/42/660829642.db2.gz XEWWAVLSFOYREG-LBPRGKRZSA-N -1 1 315.377 0.915 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)nc1=O ZINC001028092360 661152173 /nfs/dbraw/zinc/15/21/73/661152173.db2.gz RCDYHEPQBMHSSB-LOWDOPEQSA-N -1 1 319.409 0.235 20 0 DCADMM C[C@@H](C(N)=O)N1CCCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC000981730182 661206120 /nfs/dbraw/zinc/20/61/20/661206120.db2.gz VYODGBQKNSKEAW-NSHDSACASA-N -1 1 318.377 0.199 20 0 DCADMM COC(=O)C1(C[N-]S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000885402147 667674345 /nfs/dbraw/zinc/67/43/45/667674345.db2.gz VTDQPDPCXGDGHL-UHFFFAOYSA-N -1 1 307.759 0.305 20 0 DCADMM O=C(C1CCOCC1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998361925 665442858 /nfs/dbraw/zinc/44/28/58/665442858.db2.gz VTRIMGDUHUMAPC-NSHDSACASA-N -1 1 309.370 0.018 20 0 DCADMM O=C([C@@H]1CC12CCCC2)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970412754 657478521 /nfs/dbraw/zinc/47/85/21/657478521.db2.gz YFDQCDXGWGHCNS-MNOVXSKESA-N -1 1 305.382 0.781 20 0 DCADMM O=C(COC1CCCCC1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000969162196 657514880 /nfs/dbraw/zinc/51/48/80/657514880.db2.gz OKALPEGGFKDFGD-LLVKDONJSA-N -1 1 323.397 0.550 20 0 DCADMM Cn1ncc(S(=O)(=O)[N-][C@@H](CO)C2CC2)c1C(F)(F)F ZINC000866849788 657517579 /nfs/dbraw/zinc/51/75/79/657517579.db2.gz PTRRBKDGBDKLDG-ZETCQYMHSA-N -1 1 313.301 0.488 20 0 DCADMM Cc1ncsc1C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998635200 665493943 /nfs/dbraw/zinc/49/39/43/665493943.db2.gz NPXNQSIPDKTZNC-SECBINFHSA-N -1 1 322.394 0.670 20 0 DCADMM CCc1cc(C)c(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)o1 ZINC000970491690 657571379 /nfs/dbraw/zinc/57/13/79/657571379.db2.gz OEBBKFNJGWGCMN-SNVBAGLBSA-N -1 1 319.365 0.978 20 0 DCADMM C[C@@H](NC(=O)c1ccccc1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969225703 657599775 /nfs/dbraw/zinc/59/97/75/657599775.db2.gz VPQAVKQDAKXNDX-LLVKDONJSA-N -1 1 315.377 0.359 20 0 DCADMM CC(C)(C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C(F)(F)F ZINC000970536816 657610789 /nfs/dbraw/zinc/61/07/89/657610789.db2.gz RZOJIADMSGGNKU-SSDOTTSWSA-N -1 1 321.303 0.789 20 0 DCADMM Cc1cc(CN2CC[C@@H]2CNC(=O)c2ncccc2[O-])nn1C ZINC001038193002 657751492 /nfs/dbraw/zinc/75/14/92/657751492.db2.gz GYWDKYWJABYSNI-CYBMUJFWSA-N -1 1 315.377 0.833 20 0 DCADMM Cc1cc(CN2CC[C@H]2CNC(=O)c2ncccc2[O-])nn1C ZINC001038193004 657751665 /nfs/dbraw/zinc/75/16/65/657751665.db2.gz GYWDKYWJABYSNI-ZDUSSCGKSA-N -1 1 315.377 0.833 20 0 DCADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2nccn2C)C1 ZINC000969546486 657962311 /nfs/dbraw/zinc/96/23/11/657962311.db2.gz JMDUYOXCKZATQC-NSHDSACASA-N -1 1 315.377 0.771 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001023539523 657971244 /nfs/dbraw/zinc/97/12/44/657971244.db2.gz BVHFGNXPOSICCV-TUAOUCFPSA-N -1 1 307.398 0.093 20 0 DCADMM C[N@@H+](Cc1cc(=O)n2[n-]ccc2n1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000970930993 658091878 /nfs/dbraw/zinc/09/18/78/658091878.db2.gz DYGXXERJGRWPRC-ZDUSSCGKSA-N -1 1 315.377 0.465 20 0 DCADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@H]1CCCO1 ZINC000939289770 665545349 /nfs/dbraw/zinc/54/53/49/665545349.db2.gz ZWJUGIOZGMHATA-ZYHUDNBSSA-N -1 1 305.334 0.297 20 0 DCADMM O=C(C[C@@H]1CCCCO1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998893566 665545398 /nfs/dbraw/zinc/54/53/98/665545398.db2.gz KAGKJEQYZUSHLY-NEPJUHHUSA-N -1 1 323.397 0.550 20 0 DCADMM O=S(=O)([N-][C@@H](CCO)C1CC1)c1nc[nH]c1Br ZINC000866859833 658116290 /nfs/dbraw/zinc/11/62/90/658116290.db2.gz QWCLVWHRNBPLRF-ZETCQYMHSA-N -1 1 324.200 0.612 20 0 DCADMM O=C(C1CCC(F)CC1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000969838184 658195948 /nfs/dbraw/zinc/19/59/48/658195948.db2.gz ROGWZGQPFXMYFM-VQXHTEKXSA-N -1 1 311.361 0.729 20 0 DCADMM Cc1ccn(C)c1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000999017226 665563462 /nfs/dbraw/zinc/56/34/62/665563462.db2.gz GUYSGBNXQIZCJG-NSHDSACASA-N -1 1 318.381 0.552 20 0 DCADMM Cc1cc(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)cnn1 ZINC000999017918 665563465 /nfs/dbraw/zinc/56/34/65/665563465.db2.gz JGJUJZHSXLFBSB-NSHDSACASA-N -1 1 317.353 0.003 20 0 DCADMM COCC(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC001020666485 658341874 /nfs/dbraw/zinc/34/18/74/658341874.db2.gz YRHBGUCOMVVEBS-NWDGAFQWSA-N -1 1 321.377 0.648 20 0 DCADMM CCC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1 ZINC000972210696 658442845 /nfs/dbraw/zinc/44/28/45/658442845.db2.gz XCJQHFJCAITCGK-LLVKDONJSA-N -1 1 309.414 0.577 20 0 DCADMM Cn1[n-]c(CN2CCCC[C@H]2CNC(=O)c2ccc[nH]2)nc1=O ZINC001024328200 658573065 /nfs/dbraw/zinc/57/30/65/658573065.db2.gz VRDJCTWHTZIGIC-NSHDSACASA-N -1 1 318.381 0.221 20 0 DCADMM CN(Cc1cnnn1C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971393798 658574121 /nfs/dbraw/zinc/57/41/21/658574121.db2.gz KBZJHPPVJBWOEY-NSHDSACASA-N -1 1 316.365 0.262 20 0 DCADMM O=C([C@H]1CCCOC1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024897700 658822906 /nfs/dbraw/zinc/82/29/06/658822906.db2.gz BMGILXXJVCRXTJ-NWDGAFQWSA-N -1 1 323.397 0.408 20 0 DCADMM Cn1[n-]c(CN2C[C@H](NC(=O)C3=CCCC3)C(C)(C)C2)nc1=O ZINC000973032267 658956556 /nfs/dbraw/zinc/95/65/56/658956556.db2.gz YEYSLMUXEPYXCX-LBPRGKRZSA-N -1 1 319.409 0.545 20 0 DCADMM CCO[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973063810 659002193 /nfs/dbraw/zinc/00/21/93/659002193.db2.gz ASMZDJMLOQUOTI-ZPFDUUQYSA-N -1 1 319.361 0.589 20 0 DCADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(CO)CCC1 ZINC000872471482 667900027 /nfs/dbraw/zinc/90/00/27/667900027.db2.gz QAOIBDBASWNHKT-GOSISDBHSA-N -1 1 312.457 0.880 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001025186676 659114060 /nfs/dbraw/zinc/11/40/60/659114060.db2.gz YEQMLFURBRZJNT-CHWSQXEVSA-N -1 1 321.425 0.864 20 0 DCADMM O=C(Cc1cnoc1)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974054909 659170173 /nfs/dbraw/zinc/17/01/73/659170173.db2.gz RMNPMOQDCWNSSS-PHIMTYICSA-N -1 1 316.317 0.395 20 0 DCADMM CCC(=O)[C@@H]1CCCN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000909355491 659279694 /nfs/dbraw/zinc/27/96/94/659279694.db2.gz CULLUAUPPQVXCE-JTQLQIEISA-N -1 1 314.363 0.771 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC000976396195 659320126 /nfs/dbraw/zinc/32/01/26/659320126.db2.gz XXIGAJFAJVVBCU-YFVNTRNASA-N -1 1 301.346 0.630 20 0 DCADMM O=C(N[C@@H]1[C@H]2CN(C(=O)c3cccnc3)C[C@H]21)c1ncccc1[O-] ZINC000976404955 659322623 /nfs/dbraw/zinc/32/26/23/659322623.db2.gz RRFPLODFCUGZSW-IMRBUKKESA-N -1 1 324.340 0.683 20 0 DCADMM CCn1nc2c(cc1=O)CN(c1cc(=O)[n-]c(COC)n1)CC2 ZINC000892735284 659421550 /nfs/dbraw/zinc/42/15/50/659421550.db2.gz FUAMZNUCCPRLJG-UHFFFAOYSA-N -1 1 317.349 0.468 20 0 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C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)C(C)(C)F ZINC001574793543 1163753990 /nfs/dbraw/zinc/75/39/90/1163753990.db2.gz XZXRKPZBUYKIKC-QMMMGPOBSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)CC1CC1 ZINC001574824543 1163762159 /nfs/dbraw/zinc/76/21/59/1163762159.db2.gz WKJLSPMQZBMQDF-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)CC1CC1 ZINC001574824543 1163762161 /nfs/dbraw/zinc/76/21/61/1163762161.db2.gz WKJLSPMQZBMQDF-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574841961 1163767750 /nfs/dbraw/zinc/76/77/50/1163767750.db2.gz SGQMBHVWTZQNKG-RKDXNWHRSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574841961 1163767756 /nfs/dbraw/zinc/76/77/56/1163767756.db2.gz SGQMBHVWTZQNKG-RKDXNWHRSA-N -1 1 322.348 0.567 20 0 DCADMM C[C@@H](CNC(=O)CCCF)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574904158 1163792512 /nfs/dbraw/zinc/79/25/12/1163792512.db2.gz HMCMLWIBAHUMKR-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM C[C@@H](CNC(=O)CCCF)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574904158 1163792518 /nfs/dbraw/zinc/79/25/18/1163792518.db2.gz HMCMLWIBAHUMKR-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM COC[C@@H](C)C(=O)NCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001574961116 1163820581 /nfs/dbraw/zinc/82/05/81/1163820581.db2.gz WHRTUEIZSHZRDE-SECBINFHSA-N -1 1 322.365 0.188 20 0 DCADMM C[C@H](C(=O)NCCNC(=O)c1ncccc1[O-])c1ccnn1C ZINC001575057121 1163870138 /nfs/dbraw/zinc/87/01/38/1163870138.db2.gz AYQGBLAJQPXYSN-JTQLQIEISA-N -1 1 317.349 0.170 20 0 DCADMM CCc1oncc1C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001575057951 1163872206 /nfs/dbraw/zinc/87/22/06/1163872206.db2.gz ILQCYJAMCQQWON-UHFFFAOYSA-N -1 1 304.306 0.497 20 0 DCADMM CCc1cncc(C(=O)NCCNC(=O)c2ncccc2[O-])c1 ZINC001575059974 1163874148 /nfs/dbraw/zinc/87/41/48/1163874148.db2.gz XBCYTEZTBXUEAA-UHFFFAOYSA-N -1 1 314.345 0.904 20 0 DCADMM CC1(C)C[C@@H]1C(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001575751668 1164134724 /nfs/dbraw/zinc/13/47/24/1164134724.db2.gz OUDAMRQNDMLEMZ-MRVPVSSYSA-N -1 1 302.342 0.231 20 0 DCADMM CC1(C)C[C@@H]1C(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001575751668 1164134730 /nfs/dbraw/zinc/13/47/30/1164134730.db2.gz OUDAMRQNDMLEMZ-MRVPVSSYSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@@H]1OCC[C@H]1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001575795033 1164154740 /nfs/dbraw/zinc/15/47/40/1164154740.db2.gz QHLQMRYKCUBSSI-WDEREUQCSA-N -1 1 307.350 0.448 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576076607 1164231757 /nfs/dbraw/zinc/23/17/57/1164231757.db2.gz LTJAASOPOWOWQH-NXEZZACHSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576076607 1164231765 /nfs/dbraw/zinc/23/17/65/1164231765.db2.gz LTJAASOPOWOWQH-NXEZZACHSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576083680 1164236317 /nfs/dbraw/zinc/23/63/17/1164236317.db2.gz FPFPPIFDDABYEI-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576083680 1164236322 /nfs/dbraw/zinc/23/63/22/1164236322.db2.gz FPFPPIFDDABYEI-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM CCC(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576415918 1164337102 /nfs/dbraw/zinc/33/71/02/1164337102.db2.gz GEZLZWPDZIUWMM-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576415918 1164337109 /nfs/dbraw/zinc/33/71/09/1164337109.db2.gz GEZLZWPDZIUWMM-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576441334 1164345617 /nfs/dbraw/zinc/34/56/17/1164345617.db2.gz YOBSEKVFVUEFJG-ZJUUUORDSA-N -1 1 316.369 0.185 20 0 DCADMM CCC(=O)NC1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001576444178 1164348309 /nfs/dbraw/zinc/34/83/09/1164348309.db2.gz BFZSIQGSAKUNGD-UHFFFAOYSA-N -1 1 321.410 0.814 20 0 DCADMM CCC(=O)NC1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001576444178 1164348314 /nfs/dbraw/zinc/34/83/14/1164348314.db2.gz BFZSIQGSAKUNGD-UHFFFAOYSA-N -1 1 321.410 0.814 20 0 DCADMM CCC(=O)NC[C@H](C)N(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576470726 1164353525 /nfs/dbraw/zinc/35/35/25/1164353525.db2.gz LPJMFUNGEZMFLK-VIFPVBQESA-N -1 1 318.385 0.570 20 0 DCADMM CCC(=O)NC[C@H](C)N(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576470726 1164353531 /nfs/dbraw/zinc/35/35/31/1164353531.db2.gz LPJMFUNGEZMFLK-VIFPVBQESA-N -1 1 318.385 0.570 20 0 DCADMM CCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001576471723 1164355356 /nfs/dbraw/zinc/35/53/56/1164355356.db2.gz QWXPKZDLRCTFQZ-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001576471723 1164355362 /nfs/dbraw/zinc/35/53/62/1164355362.db2.gz QWXPKZDLRCTFQZ-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576568609 1164395206 /nfs/dbraw/zinc/39/52/06/1164395206.db2.gz PUWYMVFNQLZACA-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576568609 1164395212 /nfs/dbraw/zinc/39/52/12/1164395212.db2.gz PUWYMVFNQLZACA-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576572294 1164397641 /nfs/dbraw/zinc/39/76/41/1164397641.db2.gz MSIKYGIUAGEBPY-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@H](C)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576572294 1164397648 /nfs/dbraw/zinc/39/76/48/1164397648.db2.gz MSIKYGIUAGEBPY-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001576583299 1164404820 /nfs/dbraw/zinc/40/48/20/1164404820.db2.gz WWVZJZLGMINYKF-NXEZZACHSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001576583299 1164404824 /nfs/dbraw/zinc/40/48/24/1164404824.db2.gz WWVZJZLGMINYKF-NXEZZACHSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576608063 1164409607 /nfs/dbraw/zinc/40/96/07/1164409607.db2.gz YZLMRWNWQMILIK-OPRDCNLKSA-N -1 1 316.369 0.184 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576607985 1164409729 /nfs/dbraw/zinc/40/97/29/1164409729.db2.gz YBRRTXWUGXHFBP-OPRDCNLKSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576607985 1164409733 /nfs/dbraw/zinc/40/97/33/1164409733.db2.gz YBRRTXWUGXHFBP-OPRDCNLKSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@H](C)CC(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576630076 1164417645 /nfs/dbraw/zinc/41/76/45/1164417645.db2.gz OEMDSKUZGBOLGI-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)CC(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576630076 1164417650 /nfs/dbraw/zinc/41/76/50/1164417650.db2.gz OEMDSKUZGBOLGI-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H](CNC(=O)C(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576767193 1164455830 /nfs/dbraw/zinc/45/58/30/1164455830.db2.gz RAWBCNLIIQUXDI-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](CNC(=O)C(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576767193 1164455834 /nfs/dbraw/zinc/45/58/34/1164455834.db2.gz RAWBCNLIIQUXDI-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@H](CNC(=O)[C@@H](F)CC)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576778647 1164461726 /nfs/dbraw/zinc/46/17/26/1164461726.db2.gz VYKOGNLWVPRZPD-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](CNC(=O)[C@@H](F)CC)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576778647 1164461730 /nfs/dbraw/zinc/46/17/30/1164461730.db2.gz VYKOGNLWVPRZPD-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](CNC(=O)CCCF)Nc1nccnc1-c1nnn[n-]1 ZINC001576816340 1164479500 /nfs/dbraw/zinc/47/95/00/1164479500.db2.gz JJQYYCVYRKBFNC-VIFPVBQESA-N -1 1 322.348 0.713 20 0 DCADMM CC[C@@H](CNC(=O)CCCF)Nc1nccnc1-c1nn[n-]n1 ZINC001576816340 1164479505 /nfs/dbraw/zinc/47/95/05/1164479505.db2.gz JJQYYCVYRKBFNC-VIFPVBQESA-N -1 1 322.348 0.713 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576925069 1164535564 /nfs/dbraw/zinc/53/55/64/1164535564.db2.gz MQNLMHVGSGPBBR-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576925069 1164535570 /nfs/dbraw/zinc/53/55/70/1164535570.db2.gz MQNLMHVGSGPBBR-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576926425 1164536327 /nfs/dbraw/zinc/53/63/27/1164536327.db2.gz HVQSRYXKQSZXCD-VIFPVBQESA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001576928024 1164538674 /nfs/dbraw/zinc/53/86/74/1164538674.db2.gz QRICZNAZRWEYJA-SECBINFHSA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001576928024 1164538680 /nfs/dbraw/zinc/53/86/80/1164538680.db2.gz QRICZNAZRWEYJA-SECBINFHSA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@@H](F)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576957134 1164554355 /nfs/dbraw/zinc/55/43/55/1164554355.db2.gz QLOIGGXQULJVBB-MRVPVSSYSA-N -1 1 320.332 0.466 20 0 DCADMM CC[C@@H](F)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576957134 1164554364 /nfs/dbraw/zinc/55/43/64/1164554364.db2.gz QLOIGGXQULJVBB-MRVPVSSYSA-N -1 1 320.332 0.466 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576966203 1164561908 /nfs/dbraw/zinc/56/19/08/1164561908.db2.gz PTFKOHFEYVXZQE-BDAKNGLRSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(C)(C)O ZINC001576973113 1164565622 /nfs/dbraw/zinc/56/56/22/1164565622.db2.gz DGGAMLHQCUPZSX-SECBINFHSA-N -1 1 320.353 0.555 20 0 DCADMM Cc1cc(C(=O)N(C)CCCNC(=O)c2ncccc2[O-])on1 ZINC001576974192 1164567201 /nfs/dbraw/zinc/56/72/01/1164567201.db2.gz GZKZCGIVQZPXKR-UHFFFAOYSA-N -1 1 318.333 0.976 20 0 DCADMM CCCC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577185075 1164625364 /nfs/dbraw/zinc/62/53/64/1164625364.db2.gz RAGAHWPKHAQAEU-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577185075 1164625368 /nfs/dbraw/zinc/62/53/68/1164625368.db2.gz RAGAHWPKHAQAEU-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577190042 1164629759 /nfs/dbraw/zinc/62/97/59/1164629759.db2.gz CAARKGFRLKFYGV-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577190042 1164629761 /nfs/dbraw/zinc/62/97/61/1164629761.db2.gz CAARKGFRLKFYGV-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577197269 1164630886 /nfs/dbraw/zinc/63/08/86/1164630886.db2.gz DKOCFACOGJEVPH-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577197269 1164630890 /nfs/dbraw/zinc/63/08/90/1164630890.db2.gz DKOCFACOGJEVPH-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577197312 1164631772 /nfs/dbraw/zinc/63/17/72/1164631772.db2.gz FMMYNHNSBSBMCO-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577197312 1164631775 /nfs/dbraw/zinc/63/17/75/1164631775.db2.gz FMMYNHNSBSBMCO-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577221239 1164642585 /nfs/dbraw/zinc/64/25/85/1164642585.db2.gz CCWOXBYJDMUONZ-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577221239 1164642589 /nfs/dbraw/zinc/64/25/89/1164642589.db2.gz CCWOXBYJDMUONZ-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC[C@H](C)[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001577282074 1164659927 /nfs/dbraw/zinc/65/99/27/1164659927.db2.gz AVOZTSDMTGDNFB-WCBMZHEXSA-N -1 1 322.373 0.519 20 0 DCADMM CCC[C@H](C)[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001577282074 1164659931 /nfs/dbraw/zinc/65/99/31/1164659931.db2.gz AVOZTSDMTGDNFB-WCBMZHEXSA-N -1 1 322.373 0.519 20 0 DCADMM CCCCC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577408944 1164686589 /nfs/dbraw/zinc/68/65/89/1164686589.db2.gz VSFIUIUMGKVACE-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577424589 1164689693 /nfs/dbraw/zinc/68/96/93/1164689693.db2.gz BMVKUJAOUUKKAI-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577421387 1164690219 /nfs/dbraw/zinc/69/02/19/1164690219.db2.gz MDJUDKCQMMNNLE-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCN(CC)S(=O)(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001577902922 1164829053 /nfs/dbraw/zinc/82/90/53/1164829053.db2.gz KNJVCJMHXWDFNQ-UHFFFAOYSA-N -1 1 316.412 0.604 20 0 DCADMM CCN(CCCNC(=O)C(C)C)c1nccnc1-c1nnn[n-]1 ZINC001577912413 1164836043 /nfs/dbraw/zinc/83/60/43/1164836043.db2.gz XVJLZFGNDYKYLR-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCCNC(=O)C(C)C)c1nccnc1-c1nn[n-]n1 ZINC001577912413 1164836051 /nfs/dbraw/zinc/83/60/51/1164836051.db2.gz XVJLZFGNDYKYLR-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCOC(=O)c1cnn(C[C@@H]2CCCC[C@H]2O)c1-c1nn[n-]n1 ZINC001578254345 1164965525 /nfs/dbraw/zinc/96/55/25/1164965525.db2.gz LCIUMFVDYJOPNR-GXSJLCMTSA-N -1 1 320.353 0.791 20 0 DCADMM CC[C@@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)C(N)=O ZINC001578422896 1165011000 /nfs/dbraw/zinc/01/10/00/1165011000.db2.gz FDTYPLHNJFFQBY-MRVPVSSYSA-N -1 1 313.321 0.342 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(C)=O)CC2)n1 ZINC001578589221 1165065595 /nfs/dbraw/zinc/06/55/95/1165065595.db2.gz QMPMRVLGLZWYQN-UHFFFAOYSA-N -1 1 316.369 0.278 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(C)=O)CC2)n1 ZINC001578589221 1165065598 /nfs/dbraw/zinc/06/55/98/1165065598.db2.gz QMPMRVLGLZWYQN-UHFFFAOYSA-N -1 1 316.369 0.278 20 0 DCADMM CCc1nc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)no1 ZINC001578622442 1165070873 /nfs/dbraw/zinc/07/08/73/1165070873.db2.gz VVHHXRZVRJHYAQ-UHFFFAOYSA-N -1 1 313.321 0.511 20 0 DCADMM CCc1noc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)n1 ZINC001578711236 1165089195 /nfs/dbraw/zinc/08/91/95/1165089195.db2.gz SDHVCRZLPXVOJC-UHFFFAOYSA-N -1 1 313.321 0.511 20 0 DCADMM CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578891481 1165152087 /nfs/dbraw/zinc/15/20/87/1165152087.db2.gz GKCSKAWJRDBXLL-NWDGAFQWSA-N -1 1 324.348 0.762 20 0 DCADMM CN(CCN(C)c1nccnc1-c1nnn[n-]1)C(=O)C1CCC1 ZINC001579158144 1165226058 /nfs/dbraw/zinc/22/60/58/1165226058.db2.gz JGBFCJQIOHJDTL-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1nccnc1-c1nn[n-]n1)C(=O)C1CCC1 ZINC001579158144 1165226069 /nfs/dbraw/zinc/22/60/69/1165226069.db2.gz JGBFCJQIOHJDTL-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCNC(=O)[C@H]1CC12CC2)c1cnc(-c2nnn[n-]2)cn1 ZINC001579166874 1165227983 /nfs/dbraw/zinc/22/79/83/1165227983.db2.gz KXFHHLBQLUCQFX-SECBINFHSA-N -1 1 314.353 0.009 20 0 DCADMM CN(CCNC(=O)[C@H]1CC12CC2)c1cnc(-c2nn[n-]n2)cn1 ZINC001579166874 1165227990 /nfs/dbraw/zinc/22/79/90/1165227990.db2.gz KXFHHLBQLUCQFX-SECBINFHSA-N -1 1 314.353 0.009 20 0 DCADMM CN(CCNC(=O)CC1(C)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001579174524 1165230058 /nfs/dbraw/zinc/23/00/58/1165230058.db2.gz ZOTVUZSPZRVKBG-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)CC1(C)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001579174524 1165230067 /nfs/dbraw/zinc/23/00/67/1165230067.db2.gz ZOTVUZSPZRVKBG-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)C1CCCC1 ZINC001579211228 1165238242 /nfs/dbraw/zinc/23/82/42/1165238242.db2.gz TVHKKXDHCMCGDO-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)C1CCCC1 ZINC001579211228 1165238247 /nfs/dbraw/zinc/23/82/47/1165238247.db2.gz TVHKKXDHCMCGDO-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)CC1CCC1 ZINC001579217122 1165241083 /nfs/dbraw/zinc/24/10/83/1165241083.db2.gz VSFWAZPYFRIDHI-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)CC1CCC1 ZINC001579217122 1165241092 /nfs/dbraw/zinc/24/10/92/1165241092.db2.gz VSFWAZPYFRIDHI-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)C1CCCC1 ZINC001579219198 1165242598 /nfs/dbraw/zinc/24/25/98/1165242598.db2.gz QRVXLRQXRWQFNB-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)C1CCCC1 ZINC001579219198 1165242605 /nfs/dbraw/zinc/24/26/05/1165242605.db2.gz QRVXLRQXRWQFNB-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(Cc1ccccc1)C(=O)CNc1ncncc1-c1nn[n-]n1 ZINC001579258296 1165251371 /nfs/dbraw/zinc/25/13/71/1165251371.db2.gz VNSHWWKZRDPEQN-UHFFFAOYSA-N -1 1 324.348 0.727 20 0 DCADMM COc1cccc(NCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC001579283005 1165260243 /nfs/dbraw/zinc/26/02/43/1165260243.db2.gz QPPPSFWPVWKPTH-SNVBAGLBSA-N -1 1 304.354 0.882 20 0 DCADMM CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579401082 1165300314 /nfs/dbraw/zinc/30/03/14/1165300314.db2.gz LKHZHCVBIHLXHR-SECBINFHSA-N -1 1 321.410 0.822 20 0 DCADMM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001579442228 1165309294 /nfs/dbraw/zinc/30/92/94/1165309294.db2.gz CHSPGEGCFFCUDA-YUMQZZPRSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001579450495 1165313474 /nfs/dbraw/zinc/31/34/74/1165313474.db2.gz QKJYCGJYRXGLHS-UHFFFAOYSA-N -1 1 300.278 0.251 20 0 DCADMM COC(=O)C[C@@H]1CCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001579451402 1165314010 /nfs/dbraw/zinc/31/40/10/1165314010.db2.gz UUJGESUHSFKTPB-DTWKUNHWSA-N -1 1 303.326 0.800 20 0 DCADMM COC(=O)C[C@@H]1CCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001579451402 1165314017 /nfs/dbraw/zinc/31/40/17/1165314017.db2.gz UUJGESUHSFKTPB-DTWKUNHWSA-N -1 1 303.326 0.800 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001579470716 1165323093 /nfs/dbraw/zinc/32/30/93/1165323093.db2.gz ZDKBFYOTODMKCC-JGVFFNPUSA-N -1 1 318.293 0.018 20 0 DCADMM COC(=O)c1ccc(NCCn2cccn2)c(-c2nnn[n-]2)n1 ZINC001579485378 1165329172 /nfs/dbraw/zinc/32/91/72/1165329172.db2.gz WBUROTVIUGWNKH-UHFFFAOYSA-N -1 1 314.309 0.357 20 0 DCADMM COC(=O)c1ccc(NCCn2cccn2)c(-c2nn[n-]n2)n1 ZINC001579485378 1165329177 /nfs/dbraw/zinc/32/91/77/1165329177.db2.gz WBUROTVIUGWNKH-UHFFFAOYSA-N -1 1 314.309 0.357 20 0 DCADMM COC(=O)c1oc(CNc2ccnc(-c3nn[n-]n3)n2)cc1C ZINC001579493842 1165332852 /nfs/dbraw/zinc/33/28/52/1165332852.db2.gz WGJKJCAHOCVSTL-UHFFFAOYSA-N -1 1 315.293 0.379 20 0 DCADMM COCC(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001579643851 1165370444 /nfs/dbraw/zinc/37/04/44/1165370444.db2.gz VAGJHSPJBXQVIP-UHFFFAOYSA-N -1 1 314.309 0.091 20 0 DCADMM COc1ccc(F)cc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001580034777 1165479351 /nfs/dbraw/zinc/47/93/51/1165479351.db2.gz UGGJUSXYDVKLMI-UHFFFAOYSA-N -1 1 303.257 0.990 20 0 DCADMM COc1ccc(F)cc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001580034777 1165479356 /nfs/dbraw/zinc/47/93/56/1165479356.db2.gz UGGJUSXYDVKLMI-UHFFFAOYSA-N -1 1 303.257 0.990 20 0 DCADMM COc1cncc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C ZINC001580113675 1165508010 /nfs/dbraw/zinc/50/80/10/1165508010.db2.gz VRBDBAFBZWDJMK-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1cncc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C ZINC001580113675 1165508014 /nfs/dbraw/zinc/50/80/14/1165508014.db2.gz VRBDBAFBZWDJMK-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ncc(NC(=O)NC[C@H](O)C(C)C)cc1-c1nn[n-]n1 ZINC001580137645 1165516806 /nfs/dbraw/zinc/51/68/06/1165516806.db2.gz ZQOVENCQMXJQSZ-JTQLQIEISA-N -1 1 321.341 0.409 20 0 DCADMM COc1nscc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001580153382 1165520939 /nfs/dbraw/zinc/52/09/39/1165520939.db2.gz YINLHFIIGBMGMH-UHFFFAOYSA-N -1 1 321.322 0.809 20 0 DCADMM COc1nscc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001580153382 1165520946 /nfs/dbraw/zinc/52/09/46/1165520946.db2.gz YINLHFIIGBMGMH-UHFFFAOYSA-N -1 1 321.322 0.809 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C)CCC1 ZINC001580286025 1165557540 /nfs/dbraw/zinc/55/75/40/1165557540.db2.gz UCQBCAFJTBVAOD-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C)CCC1 ZINC001580286025 1165557546 /nfs/dbraw/zinc/55/75/46/1165557546.db2.gz 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1165653171 /nfs/dbraw/zinc/65/31/71/1165653171.db2.gz OYRDOUWPSFSUTO-RMLUDKJBSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1[nH]nc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)c1C ZINC001580606401 1165654488 /nfs/dbraw/zinc/65/44/88/1165654488.db2.gz KKYBUQJXKQPEKD-UHFFFAOYSA-N -1 1 314.309 0.868 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ncccc1O ZINC001580609437 1165655974 /nfs/dbraw/zinc/65/59/74/1165655974.db2.gz YHDVWXHTVYUCEE-UHFFFAOYSA-N -1 1 313.277 0.629 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)C(C)(C)C)n1 ZINC001580640234 1165670332 /nfs/dbraw/zinc/67/03/32/1165670332.db2.gz WEGJBMGSBOYWCY-UHFFFAOYSA-N -1 1 318.385 0.564 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)C(C)(C)C)n1 ZINC001580640234 1165670339 /nfs/dbraw/zinc/67/03/39/1165670339.db2.gz WEGJBMGSBOYWCY-UHFFFAOYSA-N -1 1 318.385 0.564 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CNC(=O)C(C)(C)F)n1 ZINC001580694760 1165689795 /nfs/dbraw/zinc/68/97/95/1165689795.db2.gz DOHIRQRWZITGNJ-QMMMGPOBSA-N -1 1 322.348 0.630 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CNC(=O)C(C)(C)F)n1 ZINC001580694760 1165689799 /nfs/dbraw/zinc/68/97/99/1165689799.db2.gz DOHIRQRWZITGNJ-QMMMGPOBSA-N -1 1 322.348 0.630 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCN(C)C(=O)[C@@H]2C[C@H]2C)n1 ZINC001580745413 1165706734 /nfs/dbraw/zinc/70/67/34/1165706734.db2.gz FDHGAHHODTVHOF-PSASIEDQSA-N -1 1 316.369 0.491 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCN(C)C(=O)[C@@H]2C[C@H]2C)n1 ZINC001580745413 1165706743 /nfs/dbraw/zinc/70/67/43/1165706743.db2.gz FDHGAHHODTVHOF-PSASIEDQSA-N -1 1 316.369 0.491 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)NC(=O)[C@@H]2C[C@H]2C)n1 ZINC001580748493 1165709109 /nfs/dbraw/zinc/70/91/09/1165709109.db2.gz BEPOTYYUQQPVLC-SZEHBUNVSA-N -1 1 316.369 0.538 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)NC(=O)[C@@H]2C[C@H]2C)n1 ZINC001580748493 1165709117 /nfs/dbraw/zinc/70/91/17/1165709117.db2.gz BEPOTYYUQQPVLC-SZEHBUNVSA-N -1 1 316.369 0.538 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2n[nH]c(=O)n2C2CC2)n1 ZINC001580753555 1165710534 /nfs/dbraw/zinc/71/05/34/1165710534.db2.gz XNZUUDLAFPLDBP-UHFFFAOYSA-N -1 1 314.313 0.209 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2n[nH]c(=O)n2C2CC2)n1 ZINC001580753555 1165710539 /nfs/dbraw/zinc/71/05/39/1165710539.db2.gz XNZUUDLAFPLDBP-UHFFFAOYSA-N -1 1 314.313 0.209 20 0 DCADMM Cc1cc(C)n(CCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC001580910789 1165755126 /nfs/dbraw/zinc/75/51/26/1165755126.db2.gz PPHDCJAWRYFBBN-UHFFFAOYSA-N -1 1 315.341 0.442 20 0 DCADMM Cc1cc(C)n(CCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC001580910789 1165755131 /nfs/dbraw/zinc/75/51/31/1165755131.db2.gz PPHDCJAWRYFBBN-UHFFFAOYSA-N -1 1 315.341 0.442 20 0 DCADMM Cc1[nH]nc(NC(=O)CCNC(=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC001581402904 1165821863 /nfs/dbraw/zinc/82/18/63/1165821863.db2.gz PIZROLGGCDAYIM-UHFFFAOYSA-N -1 1 320.357 0.389 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2CCCCN(C)C2=O)c1-c1nn[n-]n1 ZINC001581402814 1165822150 /nfs/dbraw/zinc/82/21/50/1165822150.db2.gz LKCISEXGDQHYQJ-MRVPVSSYSA-N -1 1 318.341 0.095 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2ccc(C(N)=O)cc2)n1 ZINC001581411085 1165823582 /nfs/dbraw/zinc/82/35/82/1165823582.db2.gz KDVLQUJJYILFRW-UHFFFAOYSA-N -1 1 324.348 0.700 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2ccc(C(N)=O)cc2)n1 ZINC001581411085 1165823587 /nfs/dbraw/zinc/82/35/87/1165823587.db2.gz KDVLQUJJYILFRW-UHFFFAOYSA-N -1 1 324.348 0.700 20 0 DCADMM Cc1nsc(N(C)CCNC(=O)C2CCC2)c1-c1nn[n-]n1 ZINC001581664272 1165856964 /nfs/dbraw/zinc/85/69/64/1165856964.db2.gz RCGVETJXOGDMFN-UHFFFAOYSA-N -1 1 321.410 0.984 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@](O)(C(F)F)C1 ZINC001581726899 1165861141 /nfs/dbraw/zinc/86/11/41/1165861141.db2.gz ZIPMIQCDADOSCC-LBPRGKRZSA-N -1 1 313.264 0.610 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@](O)(C(F)F)C1 ZINC001581726899 1165861146 /nfs/dbraw/zinc/86/11/46/1165861146.db2.gz ZIPMIQCDADOSCC-LBPRGKRZSA-N -1 1 313.264 0.610 20 0 DCADMM Cn1c(=O)[nH]c(Sc2ccc(F)cc2)c(-c2nn[n-]n2)c1=O ZINC001581748722 1165864874 /nfs/dbraw/zinc/86/48/74/1165864874.db2.gz REIHUQFPPIDDCX-UHFFFAOYSA-N -1 1 320.309 0.544 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cccc3ncn(C)c32)n1 ZINC001581754881 1165869962 /nfs/dbraw/zinc/86/99/62/1165869962.db2.gz REPUKTGTSSFWRI-UHFFFAOYSA-N -1 1 323.320 0.739 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccc3ncn(C)c32)n1 ZINC001581754881 1165869971 /nfs/dbraw/zinc/86/99/71/1165869971.db2.gz REPUKTGTSSFWRI-UHFFFAOYSA-N -1 1 323.320 0.739 20 0 DCADMM Cn1cc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001581766576 1165870314 /nfs/dbraw/zinc/87/03/14/1165870314.db2.gz DFISPQUOEKRCBK-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001581766576 1165870320 /nfs/dbraw/zinc/87/03/20/1165870320.db2.gz DFISPQUOEKRCBK-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM NC(=O)CC1(NC(=O)c2coc(-c3nnn[n-]3)c2)CCCCC1 ZINC001581889466 1165907050 /nfs/dbraw/zinc/90/70/50/1165907050.db2.gz LJCNNJBAHPQIBX-UHFFFAOYSA-N -1 1 318.337 0.768 20 0 DCADMM NC(=O)CC1(NC(=O)c2coc(-c3nn[n-]n3)c2)CCCCC1 ZINC001581889466 1165907056 /nfs/dbraw/zinc/90/70/56/1165907056.db2.gz LJCNNJBAHPQIBX-UHFFFAOYSA-N -1 1 318.337 0.768 20 0 DCADMM NC(=O)c1cccc2c1CCN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC001581905315 1165907893 /nfs/dbraw/zinc/90/78/93/1165907893.db2.gz BKUQCOXBDLRMTN-UHFFFAOYSA-N -1 1 321.344 0.923 20 0 DCADMM NC(=O)c1cccc2c1CCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001581905315 1165907899 /nfs/dbraw/zinc/90/78/99/1165907899.db2.gz BKUQCOXBDLRMTN-UHFFFAOYSA-N -1 1 321.344 0.923 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(C(F)(F)F)ccn1 ZINC001581908889 1165910002 /nfs/dbraw/zinc/91/00/02/1165910002.db2.gz GUVJMOVBFYSILI-UHFFFAOYSA-N -1 1 324.226 0.748 20 0 DCADMM O=C(CCCF)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001582045789 1165944569 /nfs/dbraw/zinc/94/45/69/1165944569.db2.gz GJASJSMHMOZGIE-SECBINFHSA-N -1 1 320.332 0.101 20 0 DCADMM O=C(CCCF)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001582045789 1165944573 /nfs/dbraw/zinc/94/45/73/1165944573.db2.gz GJASJSMHMOZGIE-SECBINFHSA-N -1 1 320.332 0.101 20 0 DCADMM O=C(C[C@H]1CCCC[C@@H]1O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582134353 1165965794 /nfs/dbraw/zinc/96/57/94/1165965794.db2.gz FVXAHSFISXPTEG-YPMHNXCESA-N -1 1 316.365 0.819 20 0 DCADMM O=C(C[C@H]1CCCC[C@@H]1O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582134353 1165965796 /nfs/dbraw/zinc/96/57/96/1165965796.db2.gz FVXAHSFISXPTEG-YPMHNXCESA-N -1 1 316.365 0.819 20 0 DCADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)N1CCc2ccccc21 ZINC001582191872 1165979859 /nfs/dbraw/zinc/97/98/59/1165979859.db2.gz HLTVZLYKZGQOBS-UHFFFAOYSA-N -1 1 322.328 0.618 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001582198044 1165982513 /nfs/dbraw/zinc/98/25/13/1165982513.db2.gz KGTQMFSKZZWGFQ-PWSUYJOCSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(N[C@@H](CO)c1ncc[nH]1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582231598 1165986441 /nfs/dbraw/zinc/98/64/41/1165986441.db2.gz GFNFLRXTNSBPJH-VIFPVBQESA-N -1 1 317.284 0.192 20 0 DCADMM O=C(N[C@@H](CO)c1ncc[nH]1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582231598 1165986450 /nfs/dbraw/zinc/98/64/50/1165986450.db2.gz GFNFLRXTNSBPJH-VIFPVBQESA-N -1 1 317.284 0.192 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)c1cc(-c2nn[nH]n2)cs1 ZINC001582246639 1165990753 /nfs/dbraw/zinc/99/07/53/1165990753.db2.gz INBIYGKPYDUERF-UHFFFAOYSA-N -1 1 317.338 0.251 20 0 DCADMM O=C(NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001582423974 1166015200 /nfs/dbraw/zinc/01/52/00/1166015200.db2.gz WTXAHRULQGXXSW-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001582423974 1166015209 /nfs/dbraw/zinc/01/52/09/1166015209.db2.gz WTXAHRULQGXXSW-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)C1CC2(CC2)C1 ZINC001582521678 1166031564 /nfs/dbraw/zinc/03/15/64/1166031564.db2.gz WHMUTRCDVRVWIV-UHFFFAOYSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)C1CC2(CC2)C1 ZINC001582521678 1166031572 /nfs/dbraw/zinc/03/15/72/1166031572.db2.gz WHMUTRCDVRVWIV-UHFFFAOYSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C1(O)Cc2ccccc2C1 ZINC001582630291 1166054966 /nfs/dbraw/zinc/05/49/66/1166054966.db2.gz JNGULLPMJOLELU-UHFFFAOYSA-N -1 1 311.305 0.058 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C1(O)Cc2ccccc2C1 ZINC001582630291 1166054969 /nfs/dbraw/zinc/05/49/69/1166054969.db2.gz JNGULLPMJOLELU-UHFFFAOYSA-N -1 1 311.305 0.058 20 0 DCADMM O=C(Nc1cccc2c1CCNC2=O)c1coc(-c2nnn[n-]2)c1 ZINC001582646864 1166059608 /nfs/dbraw/zinc/05/96/08/1166059608.db2.gz CTXDQGMURFDDAX-UHFFFAOYSA-N -1 1 324.300 0.998 20 0 DCADMM O=C(Nc1cccc2c1CCNC2=O)c1coc(-c2nn[n-]n2)c1 ZINC001582646864 1166059612 /nfs/dbraw/zinc/05/96/12/1166059612.db2.gz CTXDQGMURFDDAX-UHFFFAOYSA-N -1 1 324.300 0.998 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H](CCO)CC1 ZINC001582708863 1166068764 /nfs/dbraw/zinc/06/87/64/1166068764.db2.gz YPDBWCMEWQQRKF-LLVKDONJSA-N -1 1 316.365 0.886 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H](CCO)CC1 ZINC001582708863 1166068770 /nfs/dbraw/zinc/06/87/70/1166068770.db2.gz YPDBWCMEWQQRKF-LLVKDONJSA-N -1 1 316.365 0.886 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CC(=O)Nc2ccccc21 ZINC001582758064 1166075345 /nfs/dbraw/zinc/07/53/45/1166075345.db2.gz GPAWYOGJTOSQTC-QMMMGPOBSA-N -1 1 324.304 0.654 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CC(=O)Nc2ccccc21 ZINC001582758064 1166075352 /nfs/dbraw/zinc/07/53/52/1166075352.db2.gz GPAWYOGJTOSQTC-QMMMGPOBSA-N -1 1 324.304 0.654 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CC(=O)Nc2ccccc21 ZINC001582758063 1166075509 /nfs/dbraw/zinc/07/55/09/1166075509.db2.gz GPAWYOGJTOSQTC-MRVPVSSYSA-N -1 1 324.304 0.654 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CC(=O)Nc2ccccc21 ZINC001582758063 1166075517 /nfs/dbraw/zinc/07/55/17/1166075517.db2.gz GPAWYOGJTOSQTC-MRVPVSSYSA-N -1 1 324.304 0.654 20 0 DCADMM O=C(C[C@@H]1CCC(=O)NC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582765590 1166077346 /nfs/dbraw/zinc/07/73/46/1166077346.db2.gz HXIUYFSRTWZOFF-QMMMGPOBSA-N -1 1 320.378 0.461 20 0 DCADMM O=C1NCC[C@H]1CCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001582785605 1166079638 /nfs/dbraw/zinc/07/96/38/1166079638.db2.gz NVLKSAAIKGPZPM-VIFPVBQESA-N -1 1 314.349 0.043 20 0 DCADMM O=S(=O)(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC001582793694 1166081622 /nfs/dbraw/zinc/08/16/22/1166081622.db2.gz BYIYKSHBJUGXGE-DVVUODLYSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC001582793694 1166081629 /nfs/dbraw/zinc/08/16/29/1166081629.db2.gz BYIYKSHBJUGXGE-DVVUODLYSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(NCc1cnoc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582797399 1166083976 /nfs/dbraw/zinc/08/39/76/1166083976.db2.gz MPVFDYFUHZOTSY-UHFFFAOYSA-N -1 1 324.297 0.472 20 0 DCADMM O=S(=O)(NCc1cnoc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582797399 1166083978 /nfs/dbraw/zinc/08/39/78/1166083978.db2.gz MPVFDYFUHZOTSY-UHFFFAOYSA-N -1 1 324.297 0.472 20 0 DCADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccccc1F ZINC001582808949 1166088046 /nfs/dbraw/zinc/08/80/46/1166088046.db2.gz FFBXCBPDEKEOGX-JTQLQIEISA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccccc1F ZINC001582808949 1166088048 /nfs/dbraw/zinc/08/80/48/1166088048.db2.gz FFBXCBPDEKEOGX-JTQLQIEISA-N -1 1 315.312 0.811 20 0 DCADMM O=c1cc(C[N@H+]2CC[C@@H](CF)C2)nc2c(-c3nn[n-]n3)c[n-]n21 ZINC001582814312 1166093170 /nfs/dbraw/zinc/09/31/70/1166093170.db2.gz DUSYCJNGHFILJI-QMMMGPOBSA-N -1 1 318.316 0.406 20 0 DCADMM O=c1cc(C[N@@H+]2CC[C@@H](CF)C2)nc2c(-c3nn[n-]n3)c[n-]n21 ZINC001582814312 1166093177 /nfs/dbraw/zinc/09/31/77/1166093177.db2.gz DUSYCJNGHFILJI-QMMMGPOBSA-N -1 1 318.316 0.406 20 0 DCADMM OC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@H]1C(F)(F)F ZINC001582813981 1166093789 /nfs/dbraw/zinc/09/37/89/1166093789.db2.gz MQFWBZOBNXUSOM-IONNQARKSA-N -1 1 314.271 0.869 20 0 DCADMM OC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@H]1C(F)(F)F ZINC001582813981 1166093795 /nfs/dbraw/zinc/09/37/95/1166093795.db2.gz MQFWBZOBNXUSOM-IONNQARKSA-N -1 1 314.271 0.869 20 0 DCADMM OCc1nnc2n1CCN(Cc1ccc(-c3nn[n-]n3)s1)C2 ZINC001582813350 1166094135 /nfs/dbraw/zinc/09/41/35/1166094135.db2.gz CPUTVOONMIBYSQ-UHFFFAOYSA-N -1 1 318.366 0.028 20 0 DCADMM CCCOCC(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001584603558 1166337371 /nfs/dbraw/zinc/33/73/71/1166337371.db2.gz CKYPKYWYZMZTHV-NSHDSACASA-N -1 1 307.350 0.545 20 0 DCADMM C[C@@H]1C(=O)N([N-]C(=O)c2cc(-c3ccco3)[nH]n2)C(=O)N1C ZINC001585136985 1166403672 /nfs/dbraw/zinc/40/36/72/1166403672.db2.gz CTARVHWFNORXIF-SSDOTTSWSA-N -1 1 303.278 0.597 20 0 DCADMM Cc1sc2ncn(CC(=O)N(C)c3nn[n-]n3)c(=O)c2c1C ZINC001586261981 1166490074 /nfs/dbraw/zinc/49/00/74/1166490074.db2.gz BRXOYWPWKGKHQG-UHFFFAOYSA-N -1 1 319.350 0.251 20 0 DCADMM CN1CC[C@H](C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)C1=O ZINC001586308714 1166493691 /nfs/dbraw/zinc/49/36/91/1166493691.db2.gz LOTBKHNCGNLUNO-LLVKDONJSA-N -1 1 316.321 0.196 20 0 DCADMM CC(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588831467 1166602297 /nfs/dbraw/zinc/60/22/97/1166602297.db2.gz PNDLNZNBDMJYCI-ZDUSSCGKSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588831467 1166602302 /nfs/dbraw/zinc/60/23/02/1166602302.db2.gz PNDLNZNBDMJYCI-ZDUSSCGKSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588839303 1166603131 /nfs/dbraw/zinc/60/31/31/1166603131.db2.gz BWTFICPLDYPVGT-ZJUUUORDSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588839303 1166603141 /nfs/dbraw/zinc/60/31/41/1166603141.db2.gz BWTFICPLDYPVGT-ZJUUUORDSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)NC[C@@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001588854920 1166608744 /nfs/dbraw/zinc/60/87/44/1166608744.db2.gz MSMXQYNWKDJRHZ-NSHDSACASA-N -1 1 301.354 0.757 20 0 DCADMM CC(=O)NC[C@@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001588854920 1166608751 /nfs/dbraw/zinc/60/87/51/1166608751.db2.gz MSMXQYNWKDJRHZ-NSHDSACASA-N -1 1 301.354 0.757 20 0 DCADMM CC(=O)NCC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588857644 1166611122 /nfs/dbraw/zinc/61/11/22/1166611122.db2.gz LXCIPRBKOFIWHW-LLVKDONJSA-N -1 1 316.369 0.399 20 0 DCADMM CC(=O)N[C@H](C)COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001588869322 1166612485 /nfs/dbraw/zinc/61/24/85/1166612485.db2.gz NUDQQPVDAHCZFJ-SSDOTTSWSA-N -1 1 307.285 0.687 20 0 DCADMM CC(=O)N[C@H](C)COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001588869322 1166612490 /nfs/dbraw/zinc/61/24/90/1166612490.db2.gz NUDQQPVDAHCZFJ-SSDOTTSWSA-N -1 1 307.285 0.687 20 0 DCADMM C[C@@H](C(=O)N1CCC[C@@H](CF)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588954853 1166620707 /nfs/dbraw/zinc/62/07/07/1166620707.db2.gz PGZQQSSGOFOSBC-IUCAKERBSA-N -1 1 308.321 0.227 20 0 DCADMM C[C@H](C(=O)N1CC[C@H]1c1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951599 1166620893 /nfs/dbraw/zinc/62/08/93/1166620893.db2.gz GVDJCXIWRAYURI-PWSUYJOCSA-N -1 1 324.348 0.993 20 0 DCADMM C[C@@H](C(=O)N1CC[C@@H]1c1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951597 1166621467 /nfs/dbraw/zinc/62/14/67/1166621467.db2.gz GVDJCXIWRAYURI-CMPLNLGQSA-N -1 1 324.348 0.993 20 0 DCADMM C[C@H](C(=O)N(C)c1nccs1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943696 1166622588 /nfs/dbraw/zinc/62/25/88/1166622588.db2.gz ZOCFUWLRYWKCJL-ZCFIWIBFSA-N -1 1 305.327 0.139 20 0 DCADMM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001588966352 1166624861 /nfs/dbraw/zinc/62/48/61/1166624861.db2.gz YSGUUSWOJQWDKQ-MRVPVSSYSA-N -1 1 320.353 0.835 20 0 DCADMM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001588966352 1166624865 /nfs/dbraw/zinc/62/48/65/1166624865.db2.gz YSGUUSWOJQWDKQ-MRVPVSSYSA-N -1 1 320.353 0.835 20 0 DCADMM C[C@H](C(=O)NCCNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588992472 1166625837 /nfs/dbraw/zinc/62/58/37/1166625837.db2.gz STYMWTMWJINDCA-SECBINFHSA-N -1 1 318.385 0.289 20 0 DCADMM C[C@H](C(=O)Nc1cc2ccccn2n1)n1cnc(-c2nn[n-]n2)n1 ZINC001589011861 1166627102 /nfs/dbraw/zinc/62/71/02/1166627102.db2.gz PCFIUJUXDVLCNY-MRVPVSSYSA-N -1 1 324.308 0.306 20 0 DCADMM C[C@H](C(=O)OCC[C@@H]1CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001589025953 1166629255 /nfs/dbraw/zinc/62/92/55/1166629255.db2.gz GXTNJJISPMCUNZ-RNFRBKRXSA-N -1 1 313.268 0.608 20 0 DCADMM C[C@H](C(=O)OCC[C@@H]1CC[C@@H]2C[C@@H]21)n1cnc(-c2nn[n-]n2)n1 ZINC001589026767 1166631801 /nfs/dbraw/zinc/63/18/01/1166631801.db2.gz KVMWPRQGUVONFI-LMLFDSFASA-N -1 1 317.353 0.999 20 0 DCADMM CC(C)(C)n1nnc(CNCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001589263824 1166641151 /nfs/dbraw/zinc/64/11/51/1166641151.db2.gz BDCAQTKJLJGWBK-UHFFFAOYSA-N -1 1 319.398 0.960 20 0 DCADMM CC(C)(F)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001589311340 1166646167 /nfs/dbraw/zinc/64/61/67/1166646167.db2.gz KWXCYTIHZOKLSO-ONEGZZNKSA-N -1 1 320.332 0.489 20 0 DCADMM CC(C)(F)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001589311340 1166646171 /nfs/dbraw/zinc/64/61/71/1166646171.db2.gz KWXCYTIHZOKLSO-ONEGZZNKSA-N -1 1 320.332 0.489 20 0 DCADMM CC(C)(O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589326591 1166646187 /nfs/dbraw/zinc/64/61/87/1166646187.db2.gz JHPPBXAGEOFUCB-LLVKDONJSA-N -1 1 316.365 0.885 20 0 DCADMM CC(C)(O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589326591 1166646192 /nfs/dbraw/zinc/64/61/92/1166646192.db2.gz JHPPBXAGEOFUCB-LLVKDONJSA-N -1 1 316.365 0.885 20 0 DCADMM CC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589437063 1166659170 /nfs/dbraw/zinc/65/91/70/1166659170.db2.gz RQASGHTXWAHROI-SECBINFHSA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589437063 1166659172 /nfs/dbraw/zinc/65/91/72/1166659172.db2.gz RQASGHTXWAHROI-SECBINFHSA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)[C@H](F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001589460815 1166659464 /nfs/dbraw/zinc/65/94/64/1166659464.db2.gz BNFKUOXTDQFLIC-JTQLQIEISA-N -1 1 324.364 0.557 20 0 DCADMM CC(C)[C@H](F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001589460815 1166659469 /nfs/dbraw/zinc/65/94/69/1166659469.db2.gz BNFKUOXTDQFLIC-JTQLQIEISA-N -1 1 324.364 0.557 20 0 DCADMM CC(C)[C@]1(CO)CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001589493844 1166663411 /nfs/dbraw/zinc/66/34/11/1166663411.db2.gz HXYOPTHOXKXYGR-CQSZACIVSA-N -1 1 305.338 0.940 20 0 DCADMM CC(C)[C@]1(CO)CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001589493844 1166663414 /nfs/dbraw/zinc/66/34/14/1166663414.db2.gz HXYOPTHOXKXYGR-CQSZACIVSA-N -1 1 305.338 0.940 20 0 DCADMM CC(C)COC(=O)[C@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589638252 1166671826 /nfs/dbraw/zinc/67/18/26/1166671826.db2.gz HJXGWIQKVGRDRG-QMMMGPOBSA-N -1 1 307.310 0.777 20 0 DCADMM CC(C)COC(=O)[C@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589638252 1166671831 /nfs/dbraw/zinc/67/18/31/1166671831.db2.gz HJXGWIQKVGRDRG-QMMMGPOBSA-N -1 1 307.310 0.777 20 0 DCADMM CC(C)NC(=O)OC1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001589724690 1166679059 /nfs/dbraw/zinc/67/90/59/1166679059.db2.gz SWNBTOUORFTEJE-UHFFFAOYSA-N -1 1 320.309 0.419 20 0 DCADMM CC(C)NC(=O)OC1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001589724690 1166679063 /nfs/dbraw/zinc/67/90/63/1166679063.db2.gz SWNBTOUORFTEJE-UHFFFAOYSA-N -1 1 320.309 0.419 20 0 DCADMM CC(C)OC[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001589746301 1166681002 /nfs/dbraw/zinc/68/10/02/1166681002.db2.gz VOJHEHCXFNNZBB-SNVBAGLBSA-N -1 1 324.410 0.949 20 0 DCADMM CC(C)OC[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001589746301 1166681005 /nfs/dbraw/zinc/68/10/05/1166681005.db2.gz VOJHEHCXFNNZBB-SNVBAGLBSA-N -1 1 324.410 0.949 20 0 DCADMM CC(C)n1ccc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001589782655 1166685440 /nfs/dbraw/zinc/68/54/40/1166685440.db2.gz SYNJWWBTBZQHLA-MRVPVSSYSA-N -1 1 316.329 0.435 20 0 DCADMM C[C@H](CC(N)=O)c1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001589804144 1166690543 /nfs/dbraw/zinc/69/05/43/1166690543.db2.gz UTBCLADLWRWKQV-SECBINFHSA-N -1 1 324.348 0.801 20 0 DCADMM C[C@H](CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1)[S@](C)=O ZINC001589824823 1166692704 /nfs/dbraw/zinc/69/27/04/1166692704.db2.gz CUONQMXEDLTWHG-PJLCYMMNSA-N -1 1 323.382 0.540 20 0 DCADMM C[C@H](CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1)[S@](C)=O ZINC001589824823 1166692707 /nfs/dbraw/zinc/69/27/07/1166692707.db2.gz CUONQMXEDLTWHG-PJLCYMMNSA-N -1 1 323.382 0.540 20 0 DCADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1nccnc1-c1nnn[n-]1 ZINC001589859774 1166703365 /nfs/dbraw/zinc/70/33/65/1166703365.db2.gz BLTUTDRSEJUDRE-YIZRAAEISA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1nccnc1-c1nn[n-]n1 ZINC001589859774 1166703371 /nfs/dbraw/zinc/70/33/71/1166703371.db2.gz BLTUTDRSEJUDRE-YIZRAAEISA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](COCC1CC1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589886197 1166709475 /nfs/dbraw/zinc/70/94/75/1166709475.db2.gz RZSLTQCGQUQTGB-SECBINFHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](COCC1CC1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589886197 1166709480 /nfs/dbraw/zinc/70/94/80/1166709480.db2.gz RZSLTQCGQUQTGB-SECBINFHSA-N -1 1 302.338 0.807 20 0 DCADMM CC(F)(F)C[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001589908072 1166713731 /nfs/dbraw/zinc/71/37/31/1166713731.db2.gz CUZRGDMYVAZNGT-UHFFFAOYSA-N -1 1 304.282 0.195 20 0 DCADMM CC(F)(F)CCNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001589910388 1166715338 /nfs/dbraw/zinc/71/53/38/1166715338.db2.gz FHGAMFRDXZIOTG-UHFFFAOYSA-N -1 1 318.309 0.585 20 0 DCADMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C ZINC001589948212 1166728371 /nfs/dbraw/zinc/72/83/71/1166728371.db2.gz HOJOSEHOLXLPTE-SSDOTTSWSA-N -1 1 306.326 0.493 20 0 DCADMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C ZINC001589948212 1166728374 /nfs/dbraw/zinc/72/83/74/1166728374.db2.gz HOJOSEHOLXLPTE-SSDOTTSWSA-N -1 1 306.326 0.493 20 0 DCADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1nnc2ccccn21 ZINC001589980711 1166734567 /nfs/dbraw/zinc/73/45/67/1166734567.db2.gz PLJNRJZSXAIZJN-QMMMGPOBSA-N -1 1 308.309 0.873 20 0 DCADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1nnc2ccccn21 ZINC001589980711 1166734574 /nfs/dbraw/zinc/73/45/74/1166734574.db2.gz PLJNRJZSXAIZJN-QMMMGPOBSA-N -1 1 308.309 0.873 20 0 DCADMM C[C@@](O)(CNC(=O)c1csc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589988080 1166737663 /nfs/dbraw/zinc/73/76/63/1166737663.db2.gz HIFRQVGTOPYQDV-SECBINFHSA-N -1 1 321.284 0.971 20 0 DCADMM C[C@H](O)C[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589994926 1166739640 /nfs/dbraw/zinc/73/96/40/1166739640.db2.gz BPVBHNNCFSVOPR-IUCAKERBSA-N -1 1 307.310 0.072 20 0 DCADMM C[C@H](O)C[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589994926 1166739648 /nfs/dbraw/zinc/73/96/48/1166739648.db2.gz BPVBHNNCFSVOPR-IUCAKERBSA-N -1 1 307.310 0.072 20 0 DCADMM C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589994924 1166741718 /nfs/dbraw/zinc/74/17/18/1166741718.db2.gz BPVBHNNCFSVOPR-BDAKNGLRSA-N -1 1 307.310 0.072 20 0 DCADMM C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589994924 1166741724 /nfs/dbraw/zinc/74/17/24/1166741724.db2.gz BPVBHNNCFSVOPR-BDAKNGLRSA-N -1 1 307.310 0.072 20 0 DCADMM C[C@@H](O)C[C@H]1CCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001589996406 1166744321 /nfs/dbraw/zinc/74/43/21/1166744321.db2.gz IKTCBWYKHFOVMM-GHMZBOCLSA-N -1 1 304.354 0.221 20 0 DCADMM C[C@H](Oc1ccccn1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590034885 1166759743 /nfs/dbraw/zinc/75/97/43/1166759743.db2.gz PDHLWNPLCFCVKV-ZETCQYMHSA-N -1 1 300.282 0.148 20 0 DCADMM C[C@@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCNC(=O)C1 ZINC001590069098 1166763476 /nfs/dbraw/zinc/76/34/76/1166763476.db2.gz GUEWVGWFKNYVHQ-CQSZACIVSA-N -1 1 316.321 0.427 20 0 DCADMM CC1(C(N)=O)CN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001590074069 1166765808 /nfs/dbraw/zinc/76/58/08/1166765808.db2.gz YOBQYXRESITIMD-UHFFFAOYSA-N -1 1 310.321 0.122 20 0 DCADMM CC1(C(N)=O)CN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001590074069 1166765816 /nfs/dbraw/zinc/76/58/16/1166765816.db2.gz YOBQYXRESITIMD-UHFFFAOYSA-N -1 1 310.321 0.122 20 0 DCADMM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H]2COC[C@H]2O1 ZINC001590104700 1166774000 /nfs/dbraw/zinc/77/40/00/1166774000.db2.gz SCLSJZKNFWPASW-ZYHUDNBSSA-N -1 1 305.338 0.838 20 0 DCADMM CC1(C)CN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H]2COC[C@H]2O1 ZINC001590104700 1166774006 /nfs/dbraw/zinc/77/40/06/1166774006.db2.gz SCLSJZKNFWPASW-ZYHUDNBSSA-N -1 1 305.338 0.838 20 0 DCADMM CC1(C)C[N@@H+](CCNc2ccc(-c3nn[nH]n3)c(N)n2)CCO1 ZINC001590104600 1166774046 /nfs/dbraw/zinc/77/40/46/1166774046.db2.gz ILEOJKQLLJSKPI-UHFFFAOYSA-N -1 1 318.385 0.367 20 0 DCADMM CC1(C)OC[C@@H](CCOC(=O)c2ccnc(-c3nnn[n-]3)c2)O1 ZINC001590115695 1166779005 /nfs/dbraw/zinc/77/90/05/1166779005.db2.gz VRNDGIPWJUWUBR-SNVBAGLBSA-N -1 1 319.321 0.960 20 0 DCADMM CC1(C)OC[C@@H](CCOC(=O)c2ccnc(-c3nn[n-]n3)c2)O1 ZINC001590115695 1166779010 /nfs/dbraw/zinc/77/90/10/1166779010.db2.gz VRNDGIPWJUWUBR-SNVBAGLBSA-N -1 1 319.321 0.960 20 0 DCADMM C[C@]1(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)CCCO1 ZINC001590131643 1166785613 /nfs/dbraw/zinc/78/56/13/1166785613.db2.gz KLTLORRHHIQBLF-GFCCVEGCSA-N -1 1 323.382 0.692 20 0 DCADMM C[C@]1(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)CCCO1 ZINC001590131643 1166785619 /nfs/dbraw/zinc/78/56/19/1166785619.db2.gz KLTLORRHHIQBLF-GFCCVEGCSA-N -1 1 323.382 0.692 20 0 DCADMM C[C@]1(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CCC(=O)N1 ZINC001590131791 1166786288 /nfs/dbraw/zinc/78/62/88/1166786288.db2.gz GALJQJRDTIOKFQ-CQSZACIVSA-N -1 1 318.312 0.404 20 0 DCADMM C[C@]1(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CCC(=O)N1 ZINC001590131791 1166786296 /nfs/dbraw/zinc/78/62/96/1166786296.db2.gz GALJQJRDTIOKFQ-CQSZACIVSA-N -1 1 318.312 0.404 20 0 DCADMM C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc(-c2nn[nH]n2)nc1 ZINC001590170109 1166797766 /nfs/dbraw/zinc/79/77/66/1166797766.db2.gz ZWKHNVFMCFNWAB-QWRGUYRKSA-N -1 1 315.381 0.355 20 0 DCADMM C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001590167779 1166799022 /nfs/dbraw/zinc/79/90/22/1166799022.db2.gz PCDRJEMPSOWBGM-UWVGGRQHSA-N -1 1 301.354 0.426 20 0 DCADMM C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccnc(-c2nn[nH]n2)c1 ZINC001590167779 1166799027 /nfs/dbraw/zinc/79/90/27/1166799027.db2.gz PCDRJEMPSOWBGM-UWVGGRQHSA-N -1 1 301.354 0.426 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001590216617 1166815170 /nfs/dbraw/zinc/81/51/70/1166815170.db2.gz VJXWKJDRJVNEBR-BDAKNGLRSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001590216617 1166815181 /nfs/dbraw/zinc/81/51/81/1166815181.db2.gz VJXWKJDRJVNEBR-BDAKNGLRSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@@H]1CCC(=O)CN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590218955 1166818788 /nfs/dbraw/zinc/81/87/88/1166818788.db2.gz NODIPHHCOHVCDO-SSDOTTSWSA-N -1 1 321.366 0.586 20 0 DCADMM C[C@@H]1CCC(=O)CN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590218955 1166818791 /nfs/dbraw/zinc/81/87/91/1166818791.db2.gz NODIPHHCOHVCDO-SSDOTTSWSA-N -1 1 321.366 0.586 20 0 DCADMM C[C@@H]1CC[C@H](C)N1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590226848 1166822240 /nfs/dbraw/zinc/82/22/40/1166822240.db2.gz HDPAXQILZAKZND-DTORHVGOSA-N -1 1 315.337 0.600 20 0 DCADMM C[C@@H]1CC[C@H](C)N1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590226848 1166822248 /nfs/dbraw/zinc/82/22/48/1166822248.db2.gz HDPAXQILZAKZND-DTORHVGOSA-N -1 1 315.337 0.600 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CS1(=O)=O ZINC001590238599 1166824027 /nfs/dbraw/zinc/82/40/27/1166824027.db2.gz GNZZWOXNUYXLPY-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CS1(=O)=O ZINC001590238599 1166824031 /nfs/dbraw/zinc/82/40/31/1166824031.db2.gz GNZZWOXNUYXLPY-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CS1(=O)=O ZINC001590241414 1166824909 /nfs/dbraw/zinc/82/49/09/1166824909.db2.gz WERWMENLJXRUII-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CS1(=O)=O ZINC001590241414 1166824915 /nfs/dbraw/zinc/82/49/15/1166824915.db2.gz WERWMENLJXRUII-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CS1(=O)=O ZINC001590238416 1166824925 /nfs/dbraw/zinc/82/49/25/1166824925.db2.gz UCDNQJODZJYEOE-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CS1(=O)=O ZINC001590238416 1166824931 /nfs/dbraw/zinc/82/49/31/1166824931.db2.gz UCDNQJODZJYEOE-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CCCC[C@@H]1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590255934 1166826119 /nfs/dbraw/zinc/82/61/19/1166826119.db2.gz XCIYRGCKZAUYDA-ZJUUUORDSA-N -1 1 319.373 0.336 20 0 DCADMM C[C@@H]1CCC[N@H+](Cc2ccncc2-c2nn[n-]n2)[C@@H]1C(=O)[O-] ZINC001590260204 1166829755 /nfs/dbraw/zinc/82/97/55/1166829755.db2.gz FMYDZKHCAXBGHI-SKDRFNHKSA-N -1 1 302.338 0.947 20 0 DCADMM C[C@@H]1CCC[N@@H+](Cc2ccncc2-c2nn[n-]n2)[C@@H]1C(=O)[O-] ZINC001590260204 1166829761 /nfs/dbraw/zinc/82/97/61/1166829761.db2.gz FMYDZKHCAXBGHI-SKDRFNHKSA-N -1 1 302.338 0.947 20 0 DCADMM C[C@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC[S@]1=O ZINC001590270441 1166831277 /nfs/dbraw/zinc/83/12/77/1166831277.db2.gz WXSJXDRESAISDF-HXNGOWOSSA-N -1 1 309.351 0.443 20 0 DCADMM C[C@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC[S@]1=O ZINC001590270441 1166831282 /nfs/dbraw/zinc/83/12/82/1166831282.db2.gz WXSJXDRESAISDF-HXNGOWOSSA-N -1 1 309.351 0.443 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]1CO ZINC001590268366 1166832611 /nfs/dbraw/zinc/83/26/11/1166832611.db2.gz WVRUMXVDIQRICR-SCZZXKLOSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]1CO ZINC001590268366 1166832617 /nfs/dbraw/zinc/83/26/17/1166832617.db2.gz WVRUMXVDIQRICR-SCZZXKLOSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1n1ccnc1 ZINC001590274286 1166833822 /nfs/dbraw/zinc/83/38/22/1166833822.db2.gz IRYHPKVMOJBQGO-CMPLNLGQSA-N -1 1 311.353 0.941 20 0 DCADMM C[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1n1ccnc1 ZINC001590274286 1166833825 /nfs/dbraw/zinc/83/38/25/1166833825.db2.gz IRYHPKVMOJBQGO-CMPLNLGQSA-N -1 1 311.353 0.941 20 0 DCADMM C[C@H]1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC[S@@]1=O ZINC001590273189 1166835825 /nfs/dbraw/zinc/83/58/25/1166835825.db2.gz WLMDUTIFBLPGTP-CWKPULSASA-N -1 1 306.395 0.605 20 0 DCADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)[C@@H]1CO ZINC001590275501 1166838061 /nfs/dbraw/zinc/83/80/61/1166838061.db2.gz CWCYWFKYWJUCRE-GZMMTYOYSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)[C@@H]1CO ZINC001590275501 1166838063 /nfs/dbraw/zinc/83/80/63/1166838063.db2.gz CWCYWFKYWJUCRE-GZMMTYOYSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@H]1Cn2nccc2N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590298286 1166844303 /nfs/dbraw/zinc/84/43/03/1166844303.db2.gz JINDTVWZDNMBFA-SECBINFHSA-N -1 1 310.321 0.755 20 0 DCADMM C[C@H]1Cn2nccc2N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590298286 1166844308 /nfs/dbraw/zinc/84/43/08/1166844308.db2.gz JINDTVWZDNMBFA-SECBINFHSA-N -1 1 310.321 0.755 20 0 DCADMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@](C)(C(F)F)O1 ZINC001590317383 1166861822 /nfs/dbraw/zinc/86/18/22/1166861822.db2.gz YNRHJJZHLYPYBV-MADCSZMMSA-N -1 1 311.296 0.906 20 0 DCADMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@](C)(C(F)F)O1 ZINC001590317383 1166861829 /nfs/dbraw/zinc/86/18/29/1166861829.db2.gz YNRHJJZHLYPYBV-MADCSZMMSA-N -1 1 311.296 0.906 20 0 DCADMM C[C@@H]1CN(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2C)C[C@H]1C ZINC001590320132 1166863113 /nfs/dbraw/zinc/86/31/13/1166863113.db2.gz KFEJKFQVLIWGLG-HTQZYQBOSA-N -1 1 314.357 0.478 20 0 DCADMM C[C@H]1CO[C@@H](C(F)(F)F)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590322715 1166863520 /nfs/dbraw/zinc/86/35/20/1166863520.db2.gz IZNAMESXSDYTME-POYBYMJQSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CO[C@@H](C(F)(F)F)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590322715 1166863525 /nfs/dbraw/zinc/86/35/25/1166863525.db2.gz IZNAMESXSDYTME-POYBYMJQSA-N -1 1 315.259 0.813 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590342285 1166876483 /nfs/dbraw/zinc/87/64/83/1166876483.db2.gz FBCXZCWOMFOUDI-WMZJFQQLSA-N -1 1 316.369 0.305 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590340252 1166877758 /nfs/dbraw/zinc/87/77/58/1166877758.db2.gz ZWZKVRYZRACINR-APOZVJGGSA-N -1 1 302.338 0.803 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590340252 1166877766 /nfs/dbraw/zinc/87/77/66/1166877766.db2.gz ZWZKVRYZRACINR-APOZVJGGSA-N -1 1 302.338 0.803 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001590361205 1166885279 /nfs/dbraw/zinc/88/52/79/1166885279.db2.gz ZIGYGRMIWQMETA-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001590361205 1166885282 /nfs/dbraw/zinc/88/52/82/1166885282.db2.gz ZIGYGRMIWQMETA-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001590360607 1166885430 /nfs/dbraw/zinc/88/54/30/1166885430.db2.gz APTGUBAABJDJHT-IUCAKERBSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590360607 1166885435 /nfs/dbraw/zinc/88/54/35/1166885435.db2.gz APTGUBAABJDJHT-IUCAKERBSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001590360751 1166885605 /nfs/dbraw/zinc/88/56/05/1166885605.db2.gz JEKGQZFVUJSIQO-IUCAKERBSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001590360751 1166885614 /nfs/dbraw/zinc/88/56/14/1166885614.db2.gz JEKGQZFVUJSIQO-IUCAKERBSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590362488 1166887895 /nfs/dbraw/zinc/88/78/95/1166887895.db2.gz PEQNMSZLJNRVAS-UHFFFAOYSA-N -1 1 306.351 0.580 20 0 DCADMM CCC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590362488 1166887900 /nfs/dbraw/zinc/88/79/00/1166887900.db2.gz PEQNMSZLJNRVAS-UHFFFAOYSA-N -1 1 306.351 0.580 20 0 DCADMM CCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001590365342 1166889358 /nfs/dbraw/zinc/88/93/58/1166889358.db2.gz FMWHBYPMDZPXMS-PSASIEDQSA-N -1 1 302.342 0.008 20 0 DCADMM CCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001590365342 1166889361 /nfs/dbraw/zinc/88/93/61/1166889361.db2.gz FMWHBYPMDZPXMS-PSASIEDQSA-N -1 1 302.342 0.008 20 0 DCADMM CCC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001590364211 1166890181 /nfs/dbraw/zinc/89/01/81/1166890181.db2.gz KFGXDMIODSWBPI-VIFPVBQESA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001590364211 1166890185 /nfs/dbraw/zinc/89/01/85/1166890185.db2.gz KFGXDMIODSWBPI-VIFPVBQESA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001590374905 1166892164 /nfs/dbraw/zinc/89/21/64/1166892164.db2.gz CRRVLTZHALJCRK-VIFPVBQESA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001590374905 1166892167 /nfs/dbraw/zinc/89/21/67/1166892167.db2.gz CRRVLTZHALJCRK-VIFPVBQESA-N -1 1 302.342 0.373 20 0 DCADMM CC[C@H](C)C[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590407280 1166900182 /nfs/dbraw/zinc/90/01/82/1166900182.db2.gz YKLXYMQLEIENRD-GUBZILKMSA-N -1 1 306.374 0.960 20 0 DCADMM CC[C@H](C)CCNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590409191 1166900274 /nfs/dbraw/zinc/90/02/74/1166900274.db2.gz DYYKRVMUVPZRQA-VIFPVBQESA-N -1 1 310.383 0.976 20 0 DCADMM CCC(CC)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590435358 1166905832 /nfs/dbraw/zinc/90/58/32/1166905832.db2.gz YKAXAHNMXKKGKN-UHFFFAOYSA-N -1 1 303.326 0.505 20 0 DCADMM CCC(CC)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590435358 1166905839 /nfs/dbraw/zinc/90/58/39/1166905839.db2.gz YKAXAHNMXKKGKN-UHFFFAOYSA-N -1 1 303.326 0.505 20 0 DCADMM CC[C@@H](COC)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590447998 1166907230 /nfs/dbraw/zinc/90/72/30/1166907230.db2.gz HKVHRETWMOAJAT-ZETCQYMHSA-N -1 1 317.396 0.632 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001590453574 1166910541 /nfs/dbraw/zinc/91/05/41/1166910541.db2.gz MUHIQECSVZMHBR-YUMQZZPRSA-N -1 1 308.321 0.321 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001590453574 1166910545 /nfs/dbraw/zinc/91/05/45/1166910545.db2.gz MUHIQECSVZMHBR-YUMQZZPRSA-N -1 1 308.321 0.321 20 0 DCADMM CCC1(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CCC1 ZINC001590492308 1166924322 /nfs/dbraw/zinc/92/43/22/1166924322.db2.gz LSXCDFGZBJSASC-SECBINFHSA-N -1 1 304.358 0.716 20 0 DCADMM CCC1(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001590495192 1166926627 /nfs/dbraw/zinc/92/66/27/1166926627.db2.gz GEQXOCAUVLHOEY-VIFPVBQESA-N -1 1 320.357 0.095 20 0 DCADMM CC[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC001590504391 1166927455 /nfs/dbraw/zinc/92/74/55/1166927455.db2.gz IDDREFIWMRUHLW-RKDXNWHRSA-N -1 1 320.357 0.679 20 0 DCADMM CC[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC001590504391 1166927465 /nfs/dbraw/zinc/92/74/65/1166927465.db2.gz IDDREFIWMRUHLW-RKDXNWHRSA-N -1 1 320.357 0.679 20 0 DCADMM CC[C@]1(O)CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC001590501580 1166927577 /nfs/dbraw/zinc/92/75/77/1166927577.db2.gz YLKAXFILTUNXNR-ZDUSSCGKSA-N -1 1 306.326 0.079 20 0 DCADMM CC[C@]1(O)CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC001590501580 1166927579 /nfs/dbraw/zinc/92/75/79/1166927579.db2.gz YLKAXFILTUNXNR-ZDUSSCGKSA-N -1 1 306.326 0.079 20 0 DCADMM CC[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC001590504388 1166927627 /nfs/dbraw/zinc/92/76/27/1166927627.db2.gz IDDREFIWMRUHLW-BDAKNGLRSA-N -1 1 320.357 0.679 20 0 DCADMM CC[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC001590504388 1166927629 /nfs/dbraw/zinc/92/76/29/1166927629.db2.gz IDDREFIWMRUHLW-BDAKNGLRSA-N -1 1 320.357 0.679 20 0 DCADMM CC[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@@H](C)O1 ZINC001590517753 1166931349 /nfs/dbraw/zinc/93/13/49/1166931349.db2.gz SQCQVKCVTGRETK-ZYHUDNBSSA-N -1 1 316.365 0.830 20 0 DCADMM CC[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@@H](C)O1 ZINC001590517753 1166931355 /nfs/dbraw/zinc/93/13/55/1166931355.db2.gz SQCQVKCVTGRETK-ZYHUDNBSSA-N -1 1 316.365 0.830 20 0 DCADMM CCC1CCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590513650 1166931526 /nfs/dbraw/zinc/93/15/26/1166931526.db2.gz MVVDOYVDAMMETF-UHFFFAOYSA-N -1 1 319.373 0.290 20 0 DCADMM CC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H](C)S1(=O)=O ZINC001590521519 1166933802 /nfs/dbraw/zinc/93/38/02/1166933802.db2.gz AQEGQEBNTAFFAT-DTWKUNHWSA-N -1 1 323.382 0.059 20 0 DCADMM CC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H](C)S1(=O)=O ZINC001590521519 1166933803 /nfs/dbraw/zinc/93/38/03/1166933803.db2.gz AQEGQEBNTAFFAT-DTWKUNHWSA-N -1 1 323.382 0.059 20 0 DCADMM CC/C=C(/C)C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590536171 1166937116 /nfs/dbraw/zinc/93/71/16/1166937116.db2.gz WOCZTIAYWFFQJD-HYHWUIIZSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C=C(/C)C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590536171 1166937117 /nfs/dbraw/zinc/93/71/17/1166937117.db2.gz WOCZTIAYWFFQJD-HYHWUIIZSA-N -1 1 316.369 0.930 20 0 DCADMM CCCC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590534334 1166937657 /nfs/dbraw/zinc/93/76/57/1166937657.db2.gz UQSTWQVYGGURMP-VIFPVBQESA-N -1 1 304.358 0.716 20 0 DCADMM CCCC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590534334 1166937666 /nfs/dbraw/zinc/93/76/66/1166937666.db2.gz UQSTWQVYGGURMP-VIFPVBQESA-N -1 1 304.358 0.716 20 0 DCADMM CCC[C@@](C)(CC)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590542571 1166940443 /nfs/dbraw/zinc/94/04/43/1166940443.db2.gz ACMNNSCXSUJPRV-CYBMUJFWSA-N -1 1 306.374 0.791 20 0 DCADMM CCC[C@@H](C)[C@H](CO)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590547308 1166941120 /nfs/dbraw/zinc/94/11/20/1166941120.db2.gz CDQKZKHTRBOREY-MFKMUULPSA-N -1 1 318.381 0.718 20 0 DCADMM CCC[C@@H](C)[C@H](CO)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590547308 1166941130 /nfs/dbraw/zinc/94/11/30/1166941130.db2.gz CDQKZKHTRBOREY-MFKMUULPSA-N -1 1 318.381 0.718 20 0 DCADMM CCC[C@@H](O)[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590558868 1166942449 /nfs/dbraw/zinc/94/24/49/1166942449.db2.gz INZMWVCEQYNQKY-HTQZYQBOSA-N -1 1 311.367 0.180 20 0 DCADMM CCCC1(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590563269 1166944483 /nfs/dbraw/zinc/94/44/83/1166944483.db2.gz CKKBJUKPTHADFM-VIFPVBQESA-N -1 1 304.358 0.716 20 0 DCADMM CCC[C@H](O)CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590559554 1166944827 /nfs/dbraw/zinc/94/48/27/1166944827.db2.gz HUAOYHHRZQGROI-QMMMGPOBSA-N -1 1 308.346 0.273 20 0 DCADMM CCC[C@H](O)CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590559554 1166944834 /nfs/dbraw/zinc/94/48/34/1166944834.db2.gz 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1167009922 /nfs/dbraw/zinc/00/99/22/1167009922.db2.gz DAUBPGDOZWFTPE-VIFPVBQESA-N -1 1 319.321 0.875 20 0 DCADMM CCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590756818 1167009927 /nfs/dbraw/zinc/00/99/27/1167009927.db2.gz DAUBPGDOZWFTPE-VIFPVBQESA-N -1 1 319.321 0.875 20 0 DCADMM CCOC(=O)CC[C@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590764369 1167012081 /nfs/dbraw/zinc/01/20/81/1167012081.db2.gz VZZLXYHWXNXSGZ-VIFPVBQESA-N -1 1 318.337 0.723 20 0 DCADMM CCOC(=O)CC[C@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590764369 1167012087 /nfs/dbraw/zinc/01/20/87/1167012087.db2.gz VZZLXYHWXNXSGZ-VIFPVBQESA-N -1 1 318.337 0.723 20 0 DCADMM CCOC(=O)NCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590767605 1167013202 /nfs/dbraw/zinc/01/32/02/1167013202.db2.gz YKXFIFQGKPFEPO-UHFFFAOYSA-N -1 1 311.323 0.831 20 0 DCADMM CCOC(=O)NCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590767605 1167013209 /nfs/dbraw/zinc/01/32/09/1167013209.db2.gz YKXFIFQGKPFEPO-UHFFFAOYSA-N -1 1 311.323 0.831 20 0 DCADMM CCOC(=O)NCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590766947 1167013779 /nfs/dbraw/zinc/01/37/79/1167013779.db2.gz CIESWHSBILWUBS-UHFFFAOYSA-N -1 1 310.339 0.291 20 0 DCADMM CCOC(=O)c1cnn(Cc2conc2C)c1-c1nn[n-]n1 ZINC001590775218 1167016287 /nfs/dbraw/zinc/01/62/87/1167016287.db2.gz AMXDSAORNOIAEM-UHFFFAOYSA-N -1 1 303.282 0.585 20 0 DCADMM CCOCCO[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590815615 1167029311 /nfs/dbraw/zinc/02/93/11/1167029311.db2.gz UYCKYVXRGNFHCJ-VIFPVBQESA-N -1 1 306.326 0.642 20 0 DCADMM CCOCCO[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590815615 1167029321 /nfs/dbraw/zinc/02/93/21/1167029321.db2.gz UYCKYVXRGNFHCJ-VIFPVBQESA-N -1 1 306.326 0.642 20 0 DCADMM CCc1cnc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)o1 ZINC001590900283 1167042959 /nfs/dbraw/zinc/04/29/59/1167042959.db2.gz DCYOQEGTMIGAQH-SSDOTTSWSA-N -1 1 318.297 0.313 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@](O)(CC)C2)n1 ZINC001590906604 1167045613 /nfs/dbraw/zinc/04/56/13/1167045613.db2.gz RNXBSNVHYFHMGJ-CQSZACIVSA-N -1 1 303.370 0.960 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@](O)(CC)C2)n1 ZINC001590906604 1167045617 /nfs/dbraw/zinc/04/56/17/1167045617.db2.gz RNXBSNVHYFHMGJ-CQSZACIVSA-N -1 1 303.370 0.960 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2Cc3nn(C)c(N)c3C2)n1 ZINC001590909525 1167049623 /nfs/dbraw/zinc/04/96/23/1167049623.db2.gz VEJZUZPEJBOXJI-UHFFFAOYSA-N -1 1 312.341 0.055 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2Cc3nn(C)c(N)c3C2)n1 ZINC001590909525 1167049626 /nfs/dbraw/zinc/04/96/26/1167049626.db2.gz VEJZUZPEJBOXJI-UHFFFAOYSA-N -1 1 312.341 0.055 20 0 DCADMM CCc1nc(N[C@H](C)[C@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590914884 1167049892 /nfs/dbraw/zinc/04/98/92/1167049892.db2.gz IJZSUIBCJFVOCR-ANLVUFKYSA-N -1 1 317.275 0.943 20 0 DCADMM CCc1nc(N[C@H](C)[C@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590914884 1167049898 /nfs/dbraw/zinc/04/98/98/1167049898.db2.gz IJZSUIBCJFVOCR-ANLVUFKYSA-N -1 1 317.275 0.943 20 0 DCADMM CCc1nncn1CCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590933957 1167054208 /nfs/dbraw/zinc/05/42/08/1167054208.db2.gz KYDKTBZFJPUPBW-UHFFFAOYSA-N -1 1 316.325 0.352 20 0 DCADMM CCc1nncn1CCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590933957 1167054214 /nfs/dbraw/zinc/05/42/14/1167054214.db2.gz KYDKTBZFJPUPBW-UHFFFAOYSA-N -1 1 316.325 0.352 20 0 DCADMM CCn1ccnc1[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590960293 1167058616 /nfs/dbraw/zinc/05/86/16/1167058616.db2.gz FZMNZOOEEXPELK-VIFPVBQESA-N -1 1 312.337 0.969 20 0 DCADMM CCn1ccnc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590960293 1167058620 /nfs/dbraw/zinc/05/86/20/1167058620.db2.gz FZMNZOOEEXPELK-VIFPVBQESA-N -1 1 312.337 0.969 20 0 DCADMM CCn1nc(C)c(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001590965896 1167062044 /nfs/dbraw/zinc/06/20/44/1167062044.db2.gz WFWBYSNMZAJTLP-UHFFFAOYSA-N -1 1 313.325 0.112 20 0 DCADMM CCn1nc(C)c(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001590965896 1167062049 /nfs/dbraw/zinc/06/20/49/1167062049.db2.gz WFWBYSNMZAJTLP-UHFFFAOYSA-N -1 1 313.325 0.112 20 0 DCADMM CN(C(=O)NCCn1cnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001590984720 1167066077 /nfs/dbraw/zinc/06/60/77/1167066077.db2.gz DTWFMBIPLOJZRV-UHFFFAOYSA-N -1 1 305.346 0.042 20 0 DCADMM CN(C(=O)c1ccc(Cl)nn1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590994571 1167068477 /nfs/dbraw/zinc/06/84/77/1167068477.db2.gz SGXPMKRHSIURQC-UHFFFAOYSA-N -1 1 316.712 0.982 20 0 DCADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)C1(C(N)=O)CCCC1 ZINC001590995127 1167069146 /nfs/dbraw/zinc/06/91/46/1167069146.db2.gz SWSUDTVSQDGSQY-UHFFFAOYSA-N -1 1 315.337 0.132 20 0 DCADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)C1(C(N)=O)CCCC1 ZINC001590995127 1167069152 /nfs/dbraw/zinc/06/91/52/1167069152.db2.gz SWSUDTVSQDGSQY-UHFFFAOYSA-N -1 1 315.337 0.132 20 0 DCADMM CN(CCc1ccncc1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591122747 1167107710 /nfs/dbraw/zinc/10/77/10/1167107710.db2.gz RFBVRTABHILMAF-UHFFFAOYSA-N -1 1 309.333 0.971 20 0 DCADMM CN(CCc1ccncc1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591122747 1167107713 /nfs/dbraw/zinc/10/77/13/1167107713.db2.gz RFBVRTABHILMAF-UHFFFAOYSA-N -1 1 309.333 0.971 20 0 DCADMM CN(Cc1ccc(C(N)=O)cc1)c1ncncc1-c1nn[n-]n1 ZINC001591139359 1167114379 /nfs/dbraw/zinc/11/43/79/1167114379.db2.gz LIEOUNVPXVBIPS-UHFFFAOYSA-N -1 1 310.321 0.392 20 0 DCADMM CN(Cc1ncnn1CC(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001591153288 1167119072 /nfs/dbraw/zinc/11/90/72/1167119072.db2.gz JQCIWXYSKKWAML-UHFFFAOYSA-N -1 1 321.295 0.755 20 0 DCADMM CN(Cc1ncnn1CC(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001591153288 1167119075 /nfs/dbraw/zinc/11/90/75/1167119075.db2.gz JQCIWXYSKKWAML-UHFFFAOYSA-N -1 1 321.295 0.755 20 0 DCADMM CN(Cc1nccn1C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591152932 1167119373 /nfs/dbraw/zinc/11/93/73/1167119373.db2.gz VCZWQXCELGSHSU-UHFFFAOYSA-N -1 1 303.351 0.934 20 0 DCADMM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591201268 1167148281 /nfs/dbraw/zinc/14/82/81/1167148281.db2.gz CRAMSJHMYUQARP-IUCAKERBSA-N -1 1 320.378 0.573 20 0 DCADMM CNC(=O)[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001591201634 1167149845 /nfs/dbraw/zinc/14/98/45/1167149845.db2.gz FULQFGGAYRRZJP-VIFPVBQESA-N -1 1 314.353 0.106 20 0 DCADMM CNC(=O)[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001591201634 1167149851 /nfs/dbraw/zinc/14/98/51/1167149851.db2.gz FULQFGGAYRRZJP-VIFPVBQESA-N -1 1 314.353 0.106 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591203248 1167150424 /nfs/dbraw/zinc/15/04/24/1167150424.db2.gz CCJTWJDEEHYZAB-GHMZBOCLSA-N -1 1 301.354 0.319 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591203248 1167150428 /nfs/dbraw/zinc/15/04/28/1167150428.db2.gz CCJTWJDEEHYZAB-GHMZBOCLSA-N -1 1 301.354 0.319 20 0 DCADMM CNC(=O)[C@H]1CCC[C@H]1Nc1snc(C)c1-c1nn[n-]n1 ZINC001591203830 1167153252 /nfs/dbraw/zinc/15/32/52/1167153252.db2.gz LIVNUVPTSYVZLU-JGVFFNPUSA-N -1 1 307.383 0.958 20 0 DCADMM CNC(=O)c1cccc(CNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001591214368 1167159978 /nfs/dbraw/zinc/15/99/78/1167159978.db2.gz CRUVOPYSUCZZIX-UHFFFAOYSA-N -1 1 324.348 0.937 20 0 DCADMM CNC(=O)c1cccc(CNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001591214368 1167159981 /nfs/dbraw/zinc/15/99/81/1167159981.db2.gz CRUVOPYSUCZZIX-UHFFFAOYSA-N -1 1 324.348 0.937 20 0 DCADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)CC1CC1 ZINC001591232437 1167167774 /nfs/dbraw/zinc/16/77/74/1167167774.db2.gz NQAAKHHJJHFLNO-VIFPVBQESA-N -1 1 319.321 0.779 20 0 DCADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)CC1CC1 ZINC001591232437 1167167779 /nfs/dbraw/zinc/16/77/79/1167167779.db2.gz NQAAKHHJJHFLNO-VIFPVBQESA-N -1 1 319.321 0.779 20 0 DCADMM COC(=O)/C=C/[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591257508 1167181092 /nfs/dbraw/zinc/18/10/92/1167181092.db2.gz QVCIMKBSUAJQPI-SMMXGFFBSA-N -1 1 305.294 0.616 20 0 DCADMM COC(=O)/C=C/[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591257508 1167181097 /nfs/dbraw/zinc/18/10/97/1167181097.db2.gz QVCIMKBSUAJQPI-SMMXGFFBSA-N -1 1 305.294 0.616 20 0 DCADMM COC(=O)C[C@](C)(NC(=O)c1coc(-c2nnn[n-]2)c1)C1CC1 ZINC001591258034 1167181158 /nfs/dbraw/zinc/18/11/58/1167181158.db2.gz XQMUYNZPCJYFCP-AWEZNQCLSA-N -1 1 319.321 0.921 20 0 DCADMM COC(=O)C[C@](C)(NC(=O)c1coc(-c2nn[n-]n2)c1)C1CC1 ZINC001591258034 1167181163 /nfs/dbraw/zinc/18/11/63/1167181163.db2.gz XQMUYNZPCJYFCP-AWEZNQCLSA-N -1 1 319.321 0.921 20 0 DCADMM COC(=O)C[C@@H](C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001591257441 1167181956 /nfs/dbraw/zinc/18/19/56/1167181956.db2.gz MBDYKVTZRZZQCP-MRVPVSSYSA-N -1 1 304.310 0.077 20 0 DCADMM COC(=O)C[C@@H](C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001591257441 1167181966 /nfs/dbraw/zinc/18/19/66/1167181966.db2.gz MBDYKVTZRZZQCP-MRVPVSSYSA-N -1 1 304.310 0.077 20 0 DCADMM COC(=O)N1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591274245 1167193602 /nfs/dbraw/zinc/19/36/02/1167193602.db2.gz TXBJELPGPVFOPJ-JTQLQIEISA-N -1 1 303.326 0.326 20 0 DCADMM COC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591274245 1167193605 /nfs/dbraw/zinc/19/36/05/1167193605.db2.gz TXBJELPGPVFOPJ-JTQLQIEISA-N -1 1 303.326 0.326 20 0 DCADMM COC(=O)[C@H]1CCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591282710 1167197555 /nfs/dbraw/zinc/19/75/55/1167197555.db2.gz JONYDHFZQRCLIO-JTQLQIEISA-N -1 1 316.321 0.287 20 0 DCADMM COC(=O)[C@H]1CCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591282710 1167197566 /nfs/dbraw/zinc/19/75/66/1167197566.db2.gz JONYDHFZQRCLIO-JTQLQIEISA-N -1 1 316.321 0.287 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC[C@@H](O)C(C)C)c1 ZINC001591286596 1167200874 /nfs/dbraw/zinc/20/08/74/1167200874.db2.gz LCNYJUSZIBFIDV-LLVKDONJSA-N -1 1 321.337 0.222 20 0 DCADMM COC(=O)c1ccc(N[C@@H]2CO[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001591296392 1167204426 /nfs/dbraw/zinc/20/44/26/1167204426.db2.gz VEGHJNNBKYYNLF-SFYZADRCSA-N -1 1 304.310 0.638 20 0 DCADMM COC(=O)c1ccc(N[C@@H]2CO[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001591296392 1167204431 /nfs/dbraw/zinc/20/44/31/1167204431.db2.gz VEGHJNNBKYYNLF-SFYZADRCSA-N -1 1 304.310 0.638 20 0 DCADMM COC(C)(C)C(=O)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591313825 1167210484 /nfs/dbraw/zinc/21/04/84/1167210484.db2.gz DINVJFPDAVAXHB-UHFFFAOYSA-N -1 1 319.321 0.342 20 0 DCADMM COC(C)(C)C(=O)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591313825 1167210490 /nfs/dbraw/zinc/21/04/90/1167210490.db2.gz DINVJFPDAVAXHB-UHFFFAOYSA-N -1 1 319.321 0.342 20 0 DCADMM CO[C@H](C(=O)OCc1cccnc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001591314585 1167210945 /nfs/dbraw/zinc/21/09/45/1167210945.db2.gz KBZCXHGUNHVWFR-JQWIXIFHSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@H](C(=O)OCc1cccnc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC001591314585 1167210951 /nfs/dbraw/zinc/21/09/51/1167210951.db2.gz KBZCXHGUNHVWFR-JQWIXIFHSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@H]([C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001591327631 1167217192 /nfs/dbraw/zinc/21/71/92/1167217192.db2.gz UZJXLJCZICRDPJ-PRHODGIISA-N -1 1 302.338 0.805 20 0 DCADMM CO[C@H]([C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001591327631 1167217197 /nfs/dbraw/zinc/21/71/97/1167217197.db2.gz UZJXLJCZICRDPJ-PRHODGIISA-N -1 1 302.338 0.805 20 0 DCADMM CO[C@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591342585 1167223175 /nfs/dbraw/zinc/22/31/75/1167223175.db2.gz HIWBAFXTHOOHFK-CQSZACIVSA-N -1 1 321.337 0.382 20 0 DCADMM CO[C@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591342585 1167223182 /nfs/dbraw/zinc/22/31/82/1167223182.db2.gz HIWBAFXTHOOHFK-CQSZACIVSA-N -1 1 321.337 0.382 20 0 DCADMM COC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591370750 1167242683 /nfs/dbraw/zinc/24/26/83/1167242683.db2.gz SDBKNSANESUTHY-CYBMUJFWSA-N -1 1 323.309 0.158 20 0 DCADMM COC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591370750 1167242686 /nfs/dbraw/zinc/24/26/86/1167242686.db2.gz SDBKNSANESUTHY-CYBMUJFWSA-N -1 1 323.309 0.158 20 0 DCADMM COC[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001591380756 1167249371 /nfs/dbraw/zinc/24/93/71/1167249371.db2.gz KICSIQPGQHRSCI-QMMMGPOBSA-N -1 1 317.227 0.996 20 0 DCADMM COC[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001591380756 1167249378 /nfs/dbraw/zinc/24/93/78/1167249378.db2.gz KICSIQPGQHRSCI-QMMMGPOBSA-N -1 1 317.227 0.996 20 0 DCADMM COC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001591382616 1167251482 /nfs/dbraw/zinc/25/14/82/1167251482.db2.gz KSSOOTUZEZLKOM-GHMZBOCLSA-N -1 1 305.342 0.571 20 0 DCADMM COC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001591382616 1167251487 /nfs/dbraw/zinc/25/14/87/1167251487.db2.gz KSSOOTUZEZLKOM-GHMZBOCLSA-N -1 1 305.342 0.571 20 0 DCADMM COC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001591382619 1167253154 /nfs/dbraw/zinc/25/31/54/1167253154.db2.gz KSSOOTUZEZLKOM-WDEREUQCSA-N -1 1 305.342 0.571 20 0 DCADMM COC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001591382619 1167253160 /nfs/dbraw/zinc/25/31/60/1167253160.db2.gz KSSOOTUZEZLKOM-WDEREUQCSA-N -1 1 305.342 0.571 20 0 DCADMM COC[C@@]1(CO)CCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001591388260 1167257952 /nfs/dbraw/zinc/25/79/52/1167257952.db2.gz ANMHVKNRRKFQKU-AWEZNQCLSA-N -1 1 304.354 0.405 20 0 DCADMM COCC[C@](C)(O)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591398271 1167267745 /nfs/dbraw/zinc/26/77/45/1167267745.db2.gz SXOQNRZOFCQRBO-ZDUSSCGKSA-N -1 1 321.341 0.171 20 0 DCADMM COCC[C@](C)(O)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591398271 1167267751 /nfs/dbraw/zinc/26/77/51/1167267751.db2.gz SXOQNRZOFCQRBO-ZDUSSCGKSA-N -1 1 321.341 0.171 20 0 DCADMM COCC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591399964 1167268107 /nfs/dbraw/zinc/26/81/07/1167268107.db2.gz YQQWSMHMICYLFO-ZETCQYMHSA-N -1 1 317.396 0.632 20 0 DCADMM COCC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591399964 1167268110 /nfs/dbraw/zinc/26/81/10/1167268110.db2.gz YQQWSMHMICYLFO-ZETCQYMHSA-N -1 1 317.396 0.632 20 0 DCADMM COCCC1(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001591401425 1167269395 /nfs/dbraw/zinc/26/93/95/1167269395.db2.gz WNJQWNHWVLSRNJ-UHFFFAOYSA-N -1 1 316.365 0.737 20 0 DCADMM COCCC1(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001591401425 1167269402 /nfs/dbraw/zinc/26/94/02/1167269402.db2.gz WNJQWNHWVLSRNJ-UHFFFAOYSA-N -1 1 316.365 0.737 20 0 DCADMM COCCn1cc(-c2cn(C)c(=O)c(-c3nn[n-]n3)c2C)cn1 ZINC001591448905 1167289028 /nfs/dbraw/zinc/28/90/28/1167289028.db2.gz OBVDTDLXCSSMEV-UHFFFAOYSA-N -1 1 315.337 0.384 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591468054 1167301884 /nfs/dbraw/zinc/30/18/84/1167301884.db2.gz FLOLXCKOAWBGGN-NXEZZACHSA-N -1 1 307.310 0.302 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591468054 1167301892 /nfs/dbraw/zinc/30/18/92/1167301892.db2.gz FLOLXCKOAWBGGN-NXEZZACHSA-N -1 1 307.310 0.302 20 0 DCADMM COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cn[nH]c1 ZINC001591507129 1167315110 /nfs/dbraw/zinc/31/51/10/1167315110.db2.gz VONWKQDROFYTBC-UHFFFAOYSA-N -1 1 321.322 0.399 20 0 DCADMM COc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1OC ZINC001591574446 1167333327 /nfs/dbraw/zinc/33/33/27/1167333327.db2.gz CYWHDKZPDJFTJH-UHFFFAOYSA-N -1 1 315.293 0.351 20 0 DCADMM COc1ncc(NC(=O)[C@@H](O)C2CCC2)cc1-c1nn[n-]n1 ZINC001591664134 1167342711 /nfs/dbraw/zinc/34/27/11/1167342711.db2.gz HXMYOTKMOVZMIT-JTQLQIEISA-N -1 1 304.310 0.370 20 0 DCADMM COc1nn(C)cc1CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591669944 1167345546 /nfs/dbraw/zinc/34/55/46/1167345546.db2.gz CQIGGIZHJREXCX-UHFFFAOYSA-N -1 1 300.326 0.924 20 0 DCADMM COc1nnccc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591670548 1167346532 /nfs/dbraw/zinc/34/65/32/1167346532.db2.gz VCWZUMAJFKKUJC-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1nnccc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591670548 1167346537 /nfs/dbraw/zinc/34/65/37/1167346537.db2.gz VCWZUMAJFKKUJC-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM CS[C@@H]1CC[C@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001591693087 1167356471 /nfs/dbraw/zinc/35/64/71/1167356471.db2.gz ZNFXGOPZTJEBTF-DTWKUNHWSA-N -1 1 322.398 0.201 20 0 DCADMM CSCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591699654 1167359834 /nfs/dbraw/zinc/35/98/34/1167359834.db2.gz KEJFVBYIBXZDQC-UHFFFAOYSA-N -1 1 319.437 0.960 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC[C@H]2COC(C)(C)O2)c1 ZINC001591836921 1167390283 /nfs/dbraw/zinc/39/02/83/1167390283.db2.gz OFKLUHBWYAYMLM-JTQLQIEISA-N -1 1 305.338 0.878 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCS(=O)(=O)C[C@@H](C)C2)c1 ZINC001591887717 1167411148 /nfs/dbraw/zinc/41/11/48/1167411148.db2.gz FMXOUKCQZUSZFT-JTQLQIEISA-N -1 1 322.394 0.441 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCS(=O)(=O)C[C@@H](C)C2)c1 ZINC001591887717 1167411153 /nfs/dbraw/zinc/41/11/53/1167411153.db2.gz FMXOUKCQZUSZFT-JTQLQIEISA-N -1 1 322.394 0.441 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(C2)CCCOC3)n1 ZINC001591886795 1167411495 /nfs/dbraw/zinc/41/14/95/1167411495.db2.gz FTMXRRPMSCHZQM-AWEZNQCLSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(C2)CCCOC3)n1 ZINC001591886795 1167411497 /nfs/dbraw/zinc/41/14/97/1167411497.db2.gz FTMXRRPMSCHZQM-AWEZNQCLSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2nnn(C(C)(C)C)n2)n1 ZINC001591900855 1167416355 /nfs/dbraw/zinc/41/63/55/1167416355.db2.gz GAPNGZUJEPKQHJ-UHFFFAOYSA-N -1 1 315.345 0.319 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2nnn(C(C)(C)C)n2)n1 ZINC001591900855 1167416363 /nfs/dbraw/zinc/41/63/63/1167416363.db2.gz GAPNGZUJEPKQHJ-UHFFFAOYSA-N -1 1 315.345 0.319 20 0 DCADMM Cc1cc(N2CCC(S(C)(=O)=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001592002312 1167433120 /nfs/dbraw/zinc/43/31/20/1167433120.db2.gz TZFQZTMSDYSFNE-UHFFFAOYSA-N -1 1 322.394 0.584 20 0 DCADMM Cc1cc(N2CCC(S(C)(=O)=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001592002312 1167433123 /nfs/dbraw/zinc/43/31/23/1167433123.db2.gz TZFQZTMSDYSFNE-UHFFFAOYSA-N -1 1 322.394 0.584 20 0 DCADMM Cc1cc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)sn1 ZINC001592016876 1167434083 /nfs/dbraw/zinc/43/40/83/1167434083.db2.gz ZFYLRICMJUUXLX-LURJTMIESA-N -1 1 305.327 0.423 20 0 DCADMM Cc1cc(N2CC[S@](=O)C[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592009118 1167434835 /nfs/dbraw/zinc/43/48/35/1167434835.db2.gz SFLGKLJYLUENPJ-BTKVJGODSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1cc(N2CC[S@](=O)C[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592009118 1167434836 /nfs/dbraw/zinc/43/48/36/1167434836.db2.gz SFLGKLJYLUENPJ-BTKVJGODSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1cc(N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)nc(-c2nnn[n-]2)c1 ZINC001592036707 1167440283 /nfs/dbraw/zinc/44/02/83/1167440283.db2.gz UWTFYYIRNZZPSN-NXEZZACHSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1cc(N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)nc(-c2nn[n-]n2)c1 ZINC001592036707 1167440289 /nfs/dbraw/zinc/44/02/89/1167440289.db2.gz UWTFYYIRNZZPSN-NXEZZACHSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1cc(NCC2(CS(C)(=O)=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001592042423 1167444935 /nfs/dbraw/zinc/44/49/35/1167444935.db2.gz FHDALIPYUXRXNM-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1cc(NCC2(CS(C)(=O)=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001592042423 1167444940 /nfs/dbraw/zinc/44/49/40/1167444940.db2.gz FHDALIPYUXRXNM-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1cc(NCC2(S(C)(=O)=O)CC2)nc(-c2nnn[n-]2)c1 ZINC001592042960 1167445203 /nfs/dbraw/zinc/44/52/03/1167445203.db2.gz SHWWZWSKZJHWFE-UHFFFAOYSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1cc(NCC2(S(C)(=O)=O)CC2)nc(-c2nn[n-]n2)c1 ZINC001592042960 1167445207 /nfs/dbraw/zinc/44/52/07/1167445207.db2.gz SHWWZWSKZJHWFE-UHFFFAOYSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1cc(NCCNc2ccc(-c3nnn[n-]3)nn2)n(C)n1 ZINC001592049901 1167446181 /nfs/dbraw/zinc/44/61/81/1167446181.db2.gz GPCGEZRYCXHCEH-UHFFFAOYSA-N -1 1 300.330 0.223 20 0 DCADMM Cc1cc(NCCNc2ccc(-c3nn[n-]n3)nn2)n(C)n1 ZINC001592049901 1167446187 /nfs/dbraw/zinc/44/61/87/1167446187.db2.gz GPCGEZRYCXHCEH-UHFFFAOYSA-N -1 1 300.330 0.223 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccc(C)[nH]c2=O)c1-c1nn[n-]n1 ZINC001592129629 1167460830 /nfs/dbraw/zinc/46/08/30/1167460830.db2.gz PZSMZNKLENXNDX-UHFFFAOYSA-N -1 1 300.282 0.560 20 0 DCADMM Cc1ccc(CN(CCO)c2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592152916 1167463115 /nfs/dbraw/zinc/46/31/15/1167463115.db2.gz PRLOVILTPKYKJQ-UHFFFAOYSA-N -1 1 311.349 0.964 20 0 DCADMM Cc1ccc(CN(CCO)c2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592152916 1167463120 /nfs/dbraw/zinc/46/31/20/1167463120.db2.gz PRLOVILTPKYKJQ-UHFFFAOYSA-N -1 1 311.349 0.964 20 0 DCADMM Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1-c1nn[nH]n1 ZINC001592155142 1167463825 /nfs/dbraw/zinc/46/38/25/1167463825.db2.gz OVKIXHSIWAZOCG-ZDUSSCGKSA-N -1 1 312.377 0.982 20 0 DCADMM Cc1ccc(NCCC2(O)CCOCC2)c(-c2nnn[n-]2)n1 ZINC001592183209 1167469609 /nfs/dbraw/zinc/46/96/09/1167469609.db2.gz OZFNMQCTLFOVJT-UHFFFAOYSA-N -1 1 304.354 0.914 20 0 DCADMM Cc1ccc(NCCC2(O)CCOCC2)c(-c2nn[n-]n2)n1 ZINC001592183209 1167469614 /nfs/dbraw/zinc/46/96/14/1167469614.db2.gz OZFNMQCTLFOVJT-UHFFFAOYSA-N -1 1 304.354 0.914 20 0 DCADMM Cc1ccc(NCc2cnc3n2CCOC3)c(-c2nnn[n-]2)n1 ZINC001592185305 1167472520 /nfs/dbraw/zinc/47/25/20/1167472520.db2.gz WJNMHWFXYVFQBK-UHFFFAOYSA-N -1 1 312.337 0.909 20 0 DCADMM Cc1ccc(NCc2cnc3n2CCOC3)c(-c2nn[n-]n2)n1 ZINC001592185305 1167472522 /nfs/dbraw/zinc/47/25/22/1167472522.db2.gz WJNMHWFXYVFQBK-UHFFFAOYSA-N -1 1 312.337 0.909 20 0 DCADMM Cc1ccc(NCc2nnc3n2CCOC3)nc1-c1nnn[n-]1 ZINC001592185218 1167473296 /nfs/dbraw/zinc/47/32/96/1167473296.db2.gz OFEBMRTVXQZQBT-UHFFFAOYSA-N -1 1 313.325 0.304 20 0 DCADMM Cc1ccc(NCc2nnc3n2CCOC3)nc1-c1nn[n-]n1 ZINC001592185218 1167473301 /nfs/dbraw/zinc/47/33/01/1167473301.db2.gz OFEBMRTVXQZQBT-UHFFFAOYSA-N -1 1 313.325 0.304 20 0 DCADMM Cc1nc2n(n1)C[C@@H](Nc1ccc(C)nc1-c1nnn[n-]1)CC2 ZINC001592183990 1167474120 /nfs/dbraw/zinc/47/41/20/1167474120.db2.gz NTMHQZGEHIPNCL-JTQLQIEISA-N -1 1 311.353 0.897 20 0 DCADMM Cc1nc2n(n1)C[C@@H](Nc1ccc(C)nc1-c1nn[n-]n1)CC2 ZINC001592183990 1167474124 /nfs/dbraw/zinc/47/41/24/1167474124.db2.gz NTMHQZGEHIPNCL-JTQLQIEISA-N -1 1 311.353 0.897 20 0 DCADMM Cc1ccn(Cc2nsc(N(C)C)n2)c(=O)c1-c1nn[n-]n1 ZINC001592266107 1167480987 /nfs/dbraw/zinc/48/09/87/1167480987.db2.gz VFQAGAXGJNFIAL-UHFFFAOYSA-N -1 1 318.366 0.303 20 0 DCADMM Cc1cncnc1NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001592301745 1167486765 /nfs/dbraw/zinc/48/67/65/1167486765.db2.gz UPLLOONQUITFEF-UHFFFAOYSA-N -1 1 300.330 0.315 20 0 DCADMM Cc1csc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592315231 1167487521 /nfs/dbraw/zinc/48/75/21/1167487521.db2.gz GLZJDVGYTYSYSJ-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1csc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592315231 1167487527 /nfs/dbraw/zinc/48/75/27/1167487527.db2.gz GLZJDVGYTYSYSJ-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1[nH]nc(NC(=O)C[C@H]2CCCC[C@@H]2O)c1-c1nn[n-]n1 ZINC001592331074 1167491754 /nfs/dbraw/zinc/49/17/54/1167491754.db2.gz WDXHKBPUWBHUCZ-BDAKNGLRSA-N -1 1 305.342 0.778 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1-c1nn[n-]n1 ZINC001592329617 1167491837 /nfs/dbraw/zinc/49/18/37/1167491837.db2.gz BOVZBUYDCDRVGW-DTWKUNHWSA-N -1 1 313.325 0.374 20 0 DCADMM Cc1nc(-c2nn[nH]n2)c(-n2[n-]c(C3CCOCC3)cc2=O)o1 ZINC001592337479 1167493243 /nfs/dbraw/zinc/49/32/43/1167493243.db2.gz ZXLJVDAHGCHLJS-UHFFFAOYSA-N -1 1 317.309 0.682 20 0 DCADMM Cc1noc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc(C)n2)n1 ZINC001592341275 1167495529 /nfs/dbraw/zinc/49/55/29/1167495529.db2.gz OZZWXVOMZGYSKC-JTQLQIEISA-N -1 1 313.325 0.998 20 0 DCADMM Cc1noc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc(C)n2)n1 ZINC001592341275 1167495532 /nfs/dbraw/zinc/49/55/32/1167495532.db2.gz OZZWXVOMZGYSKC-JTQLQIEISA-N -1 1 313.325 0.998 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@H](C3CCC3)C2)n1 ZINC001592341144 1167495560 /nfs/dbraw/zinc/49/55/60/1167495560.db2.gz MFVLHJLHOKVNLI-LBPRGKRZSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@H](C3CCC3)C2)n1 ZINC001592341144 1167495564 /nfs/dbraw/zinc/49/55/64/1167495564.db2.gz MFVLHJLHOKVNLI-LBPRGKRZSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1ncc(C=CC(=O)n2ncc(-c3nn[n-]n3)c2N)s1 ZINC001592408658 1167515614 /nfs/dbraw/zinc/51/56/14/1167515614.db2.gz WLCMCJNVMJBXRL-IHWYPQMZSA-N -1 1 302.323 0.764 20 0 DCADMM Cc1ncc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC001592411199 1167515730 /nfs/dbraw/zinc/51/57/30/1167515730.db2.gz XSXTZJKHVCRSDT-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1ncc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC001592411199 1167515736 /nfs/dbraw/zinc/51/57/36/1167515736.db2.gz XSXTZJKHVCRSDT-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1nccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001592416781 1167517066 /nfs/dbraw/zinc/51/70/66/1167517066.db2.gz UTXGWLBEIVPTES-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001592416781 1167517070 /nfs/dbraw/zinc/51/70/70/1167517070.db2.gz UTXGWLBEIVPTES-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nn(C)c(C)c1COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592428000 1167519337 /nfs/dbraw/zinc/51/93/37/1167519337.db2.gz ANFWDKGTEXEHAX-UHFFFAOYSA-N -1 1 313.321 0.969 20 0 DCADMM Cc1nn(C)c(C)c1COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592428000 1167519341 /nfs/dbraw/zinc/51/93/41/1167519341.db2.gz ANFWDKGTEXEHAX-UHFFFAOYSA-N -1 1 313.321 0.969 20 0 DCADMM Cc1nn(C)c(NC(=O)COC2(C)CCC2)c1-c1nnn[n-]1 ZINC001592434008 1167519507 /nfs/dbraw/zinc/51/95/07/1167519507.db2.gz MGOPDKZFFVNNKL-UHFFFAOYSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1nn(C)c(NC(=O)COC2(C)CCC2)c1-c1nn[n-]n1 ZINC001592434008 1167519513 /nfs/dbraw/zinc/51/95/13/1167519513.db2.gz MGOPDKZFFVNNKL-UHFFFAOYSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592434837 1167519902 /nfs/dbraw/zinc/51/99/02/1167519902.db2.gz KKCDPWQUJIJRTA-SSDOTTSWSA-N -1 1 301.310 0.993 20 0 DCADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592434837 1167519907 /nfs/dbraw/zinc/51/99/07/1167519907.db2.gz KKCDPWQUJIJRTA-SSDOTTSWSA-N -1 1 301.310 0.993 20 0 DCADMM Cc1nn(C)cc1[C@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592434838 1167520599 /nfs/dbraw/zinc/52/05/99/1167520599.db2.gz KKCDPWQUJIJRTA-ZETCQYMHSA-N -1 1 301.310 0.993 20 0 DCADMM Cc1nn(C)cc1[C@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592434838 1167520602 /nfs/dbraw/zinc/52/06/02/1167520602.db2.gz KKCDPWQUJIJRTA-ZETCQYMHSA-N -1 1 301.310 0.993 20 0 DCADMM Cc1nn(C[C@H]2CC[C@@H](C3CC3)O2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436664 1167523307 /nfs/dbraw/zinc/52/33/07/1167523307.db2.gz YERZXULFDAYNER-NEPJUHHUSA-N -1 1 316.365 0.998 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC001592441020 1167525472 /nfs/dbraw/zinc/52/54/72/1167525472.db2.gz LIYCTMQDKQPWNL-ZCFIWIBFSA-N -1 1 316.350 0.913 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC001592441020 1167525478 /nfs/dbraw/zinc/52/54/78/1167525478.db2.gz LIYCTMQDKQPWNL-ZCFIWIBFSA-N -1 1 316.350 0.913 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](CO)CC2CC2)c1-c1nnn[n-]1 ZINC001592480714 1167534204 /nfs/dbraw/zinc/53/42/04/1167534204.db2.gz RGQXEETVUNPAEB-QMMMGPOBSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](CO)CC2CC2)c1-c1nn[n-]n1 ZINC001592480714 1167534213 /nfs/dbraw/zinc/53/42/13/1167534213.db2.gz RGQXEETVUNPAEB-QMMMGPOBSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c1-c1nn[n-]n1 ZINC001592477348 1167535134 /nfs/dbraw/zinc/53/51/34/1167535134.db2.gz WEAYXWXOYSARFL-BDAKNGLRSA-N -1 1 319.394 0.831 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)[C@H]1CCC(=O)N(C)C1 ZINC001592494710 1167536888 /nfs/dbraw/zinc/53/68/88/1167536888.db2.gz BPJZLUHOUKCXFG-VIFPVBQESA-N -1 1 318.337 0.461 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)[C@H]1CCC(=O)N(C)C1 ZINC001592494710 1167536893 /nfs/dbraw/zinc/53/68/93/1167536893.db2.gz BPJZLUHOUKCXFG-VIFPVBQESA-N -1 1 318.337 0.461 20 0 DCADMM Cc1nsc(NCC(=O)Nc2ccn(C)n2)c1-c1nn[n-]n1 ZINC001592486275 1167536991 /nfs/dbraw/zinc/53/69/91/1167536991.db2.gz HOLZPTOQPUXQHI-UHFFFAOYSA-N -1 1 319.354 0.416 20 0 DCADMM Cc1nsc(NCc2ccc(C(N)=O)o2)c1-c1nn[n-]n1 ZINC001592492914 1167538572 /nfs/dbraw/zinc/53/85/72/1167538572.db2.gz DEKGEFKTXQOYTA-UHFFFAOYSA-N -1 1 305.323 0.936 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCCN(C)C1=O ZINC001592500858 1167540667 /nfs/dbraw/zinc/54/06/67/1167540667.db2.gz ZIRKVUMPZKMXRX-SECBINFHSA-N -1 1 304.310 0.119 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCCN(C)C1=O ZINC001592500858 1167540671 /nfs/dbraw/zinc/54/06/71/1167540671.db2.gz ZIRKVUMPZKMXRX-SECBINFHSA-N -1 1 304.310 0.119 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCNC(=O)C[C@@H]1C ZINC001592500362 1167542312 /nfs/dbraw/zinc/54/23/12/1167542312.db2.gz WMLZVWCYOAGUGG-ZETCQYMHSA-N -1 1 304.310 0.119 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCNC(=O)C[C@@H]1C ZINC001592500362 1167542319 /nfs/dbraw/zinc/54/23/19/1167542319.db2.gz WMLZVWCYOAGUGG-ZETCQYMHSA-N -1 1 304.310 0.119 20 0 DCADMM Cc1occc1CN(C)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592511085 1167543083 /nfs/dbraw/zinc/54/30/83/1167543083.db2.gz BVRFYCOEKLKYRO-QMMMGPOBSA-N -1 1 316.325 0.579 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@]1(O)CCSC1 ZINC001592503256 1167545239 /nfs/dbraw/zinc/54/52/39/1167545239.db2.gz SJVKAVUFJYRYFP-GFCCVEGCSA-N -1 1 309.351 0.366 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@]1(O)CCSC1 ZINC001592503256 1167545245 /nfs/dbraw/zinc/54/52/45/1167545245.db2.gz SJVKAVUFJYRYFP-GFCCVEGCSA-N -1 1 309.351 0.366 20 0 DCADMM Cc1onc(CC(=O)NCC2(CO)CCCC2)c1-c1nnn[n-]1 ZINC001592517899 1167546625 /nfs/dbraw/zinc/54/66/25/1167546625.db2.gz XHSFVEIEUMEVIR-UHFFFAOYSA-N -1 1 320.353 0.375 20 0 DCADMM Cc1onc(CC(=O)NCC2(CO)CCCC2)c1-c1nn[n-]n1 ZINC001592517899 1167546632 /nfs/dbraw/zinc/54/66/32/1167546632.db2.gz XHSFVEIEUMEVIR-UHFFFAOYSA-N -1 1 320.353 0.375 20 0 DCADMM Cc1onc(CC(=O)NN2CCCC[C@@H]2C)c1-c1nnn[n-]1 ZINC001592516551 1167547595 /nfs/dbraw/zinc/54/75/95/1167547595.db2.gz UZPVEWBINFSDFH-QMMMGPOBSA-N -1 1 305.342 0.611 20 0 DCADMM Cc1onc(CC(=O)NN2CCCC[C@@H]2C)c1-c1nn[n-]n1 ZINC001592516551 1167547602 /nfs/dbraw/zinc/54/76/02/1167547602.db2.gz UZPVEWBINFSDFH-QMMMGPOBSA-N -1 1 305.342 0.611 20 0 DCADMM Cn1c(=O)[nH]c(N[C@H]2CCC[C@H](F)C2)c(-c2nn[n-]n2)c1=O ZINC001592545632 1167550429 /nfs/dbraw/zinc/55/04/29/1167550429.db2.gz HLSNXTJIMMTOPV-BQBZGAKWSA-N -1 1 309.305 0.359 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCOC(F)F)n1 ZINC001592559751 1167560135 /nfs/dbraw/zinc/56/01/35/1167560135.db2.gz IIDCNSIJQLDZFK-UHFFFAOYSA-N -1 1 316.272 0.351 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCOC(F)F)n1 ZINC001592559751 1167560142 /nfs/dbraw/zinc/56/01/42/1167560142.db2.gz IIDCNSIJQLDZFK-UHFFFAOYSA-N -1 1 316.272 0.351 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@@H](CCF)C2)n1 ZINC001592559509 1167560388 /nfs/dbraw/zinc/56/03/88/1167560388.db2.gz TXEIEMPHYHGMOZ-QMMMGPOBSA-N -1 1 324.320 0.193 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@@H](CCF)C2)n1 ZINC001592559509 1167560395 /nfs/dbraw/zinc/56/03/95/1167560395.db2.gz TXEIEMPHYHGMOZ-QMMMGPOBSA-N -1 1 324.320 0.193 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)n1 ZINC001592559818 1167560865 /nfs/dbraw/zinc/56/08/65/1167560865.db2.gz KUKCVYRLYGFFSM-KHQFGBGNSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)n1 ZINC001592559818 1167560870 /nfs/dbraw/zinc/56/08/70/1167560870.db2.gz KUKCVYRLYGFFSM-KHQFGBGNSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCC2CSC2)n1 ZINC001592560053 1167560918 /nfs/dbraw/zinc/56/09/18/1167560918.db2.gz VXVGIGZPISPDAZ-UHFFFAOYSA-N -1 1 308.371 0.475 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCC2CSC2)n1 ZINC001592560053 1167560922 /nfs/dbraw/zinc/56/09/22/1167560922.db2.gz VXVGIGZPISPDAZ-UHFFFAOYSA-N -1 1 308.371 0.475 20 0 DCADMM Cn1cc(Cl)c(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592573727 1167566073 /nfs/dbraw/zinc/56/60/73/1167566073.db2.gz QYVSZTLSKMOZQG-UHFFFAOYSA-N -1 1 318.728 0.830 20 0 DCADMM Cn1cc(Cl)c(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592573727 1167566083 /nfs/dbraw/zinc/56/60/83/1167566083.db2.gz QYVSZTLSKMOZQG-UHFFFAOYSA-N -1 1 318.728 0.830 20 0 DCADMM FC(F)(F)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001592614836 1167586573 /nfs/dbraw/zinc/58/65/73/1167586573.db2.gz ASTJDGYABTUGDR-MRVPVSSYSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)(F)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001592614836 1167586579 /nfs/dbraw/zinc/58/65/79/1167586579.db2.gz ASTJDGYABTUGDR-MRVPVSSYSA-N -1 1 315.259 0.814 20 0 DCADMM Fc1cccc2[nH]c(CNc3ccnc(-c4nn[n-]n4)n3)nc21 ZINC001592658511 1167592233 /nfs/dbraw/zinc/59/22/33/1167592233.db2.gz QMEHNCPZANDTSE-UHFFFAOYSA-N -1 1 311.284 0.706 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592726192 1167615244 /nfs/dbraw/zinc/61/52/44/1167615244.db2.gz XLMOJRBQTJGNIA-SECBINFHSA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592726192 1167615261 /nfs/dbraw/zinc/61/52/61/1167615261.db2.gz XLMOJRBQTJGNIA-SECBINFHSA-N -1 1 302.342 0.139 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(F)cc(F)c1N ZINC001592754808 1167633113 /nfs/dbraw/zinc/63/31/13/1167633113.db2.gz OHTJGWOLOALMKU-UHFFFAOYSA-N -1 1 306.236 0.194 20 0 DCADMM O=C(C1CC1)[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CCO1 ZINC001592773935 1167639662 /nfs/dbraw/zinc/63/96/62/1167639662.db2.gz OSNVCNLITROLGC-NSHDSACASA-N -1 1 300.322 0.446 20 0 DCADMM O=C(C1CC1)[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CCO1 ZINC001592773935 1167639667 /nfs/dbraw/zinc/63/96/67/1167639667.db2.gz OSNVCNLITROLGC-NSHDSACASA-N -1 1 300.322 0.446 20 0 DCADMM O=C(/C=C/[C@@H]1CCOC1)OCc1cccnc1-c1nnn[n-]1 ZINC001592794194 1167642035 /nfs/dbraw/zinc/64/20/35/1167642035.db2.gz JQWJLONCXBRURO-HMDXOVGESA-N -1 1 301.306 0.898 20 0 DCADMM O=C(/C=C/[C@@H]1CCOC1)OCc1cccnc1-c1nn[n-]n1 ZINC001592794194 1167642042 /nfs/dbraw/zinc/64/20/42/1167642042.db2.gz JQWJLONCXBRURO-HMDXOVGESA-N -1 1 301.306 0.898 20 0 DCADMM O=C(CCc1cncnc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592855905 1167652525 /nfs/dbraw/zinc/65/25/25/1167652525.db2.gz FJLUPUUXCJZTQN-UHFFFAOYSA-N -1 1 310.321 0.301 20 0 DCADMM O=C(CCc1cncnc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592855905 1167652528 /nfs/dbraw/zinc/65/25/28/1167652528.db2.gz FJLUPUUXCJZTQN-UHFFFAOYSA-N -1 1 310.321 0.301 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)o1)NCC(F)(F)F ZINC001592882145 1167657184 /nfs/dbraw/zinc/65/71/84/1167657184.db2.gz UVWQTYXZJPZZLR-UHFFFAOYSA-N -1 1 319.199 0.295 20 0 DCADMM O=C(CO[C@@H]1CCOC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592886420 1167657308 /nfs/dbraw/zinc/65/73/08/1167657308.db2.gz OIFBTKIKLYTCIV-MRVPVSSYSA-N -1 1 309.351 0.350 20 0 DCADMM O=C(COC(=O)c1coc(-c2nnn[n-]2)c1)NC1CCCC1 ZINC001592884686 1167657418 /nfs/dbraw/zinc/65/74/18/1167657418.db2.gz ZCHXMENRVZCQEK-UHFFFAOYSA-N -1 1 305.294 0.675 20 0 DCADMM O=C(COC(=O)c1coc(-c2nn[n-]n2)c1)NC1CCCC1 ZINC001592884686 1167657419 /nfs/dbraw/zinc/65/74/19/1167657419.db2.gz ZCHXMENRVZCQEK-UHFFFAOYSA-N -1 1 305.294 0.675 20 0 DCADMM O=C(CSCc1cccnc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592903338 1167660767 /nfs/dbraw/zinc/66/07/67/1167660767.db2.gz LQJCQVHWNYLEKE-UHFFFAOYSA-N -1 1 316.350 0.857 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCn2cncc21 ZINC001592915163 1167665455 /nfs/dbraw/zinc/66/54/55/1167665455.db2.gz LTEKCRYARSNNHM-JTQLQIEISA-N -1 1 310.321 0.262 20 0 DCADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)N1CCCCCC1 ZINC001592937307 1167668139 /nfs/dbraw/zinc/66/81/39/1167668139.db2.gz QHPGUYCIGRCLMB-UHFFFAOYSA-N -1 1 302.338 0.431 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC[C@@H]1C1CCC1 ZINC001592940297 1167668984 /nfs/dbraw/zinc/66/89/84/1167668984.db2.gz XWJATRGHCBJSPR-LLVKDONJSA-N -1 1 316.369 0.639 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001592940984 1167669208 /nfs/dbraw/zinc/66/92/08/1167669208.db2.gz MVQZBFSVECKZEU-UTLUCORTSA-N -1 1 302.342 0.011 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)OCc1ccccc1 ZINC001592940427 1167669788 /nfs/dbraw/zinc/66/97/88/1167669788.db2.gz HBIVRWIXJUVNRY-UHFFFAOYSA-N -1 1 312.289 0.167 20 0 DCADMM O=C(N[C@@H](CO)Cc1cncs1)c1coc(-c2nnn[n-]2)c1 ZINC001592954050 1167674508 /nfs/dbraw/zinc/67/45/08/1167674508.db2.gz DNCKODXXKYDPDZ-MRVPVSSYSA-N -1 1 320.334 0.250 20 0 DCADMM O=C(N[C@@H](CO)Cc1cncs1)c1coc(-c2nn[n-]n2)c1 ZINC001592954050 1167674514 /nfs/dbraw/zinc/67/45/14/1167674514.db2.gz DNCKODXXKYDPDZ-MRVPVSSYSA-N -1 1 320.334 0.250 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1cccc(-c2nnn[n-]2)n1 ZINC001592954234 1167674973 /nfs/dbraw/zinc/67/49/73/1167674973.db2.gz IXTKGOUVWXHXBB-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1cccc(-c2nn[n-]n2)n1 ZINC001592954234 1167674975 /nfs/dbraw/zinc/67/49/75/1167674975.db2.gz IXTKGOUVWXHXBB-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1coc(-c2nnn[n-]2)c1 ZINC001593003872 1167684045 /nfs/dbraw/zinc/68/40/45/1167684045.db2.gz ISJOIYUXSOVKIW-YPMHNXCESA-N -1 1 311.301 0.848 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1coc(-c2nn[n-]n2)c1 ZINC001593003872 1167684051 /nfs/dbraw/zinc/68/40/51/1167684051.db2.gz ISJOIYUXSOVKIW-YPMHNXCESA-N -1 1 311.301 0.848 20 0 DCADMM O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593006785 1167686644 /nfs/dbraw/zinc/68/66/44/1167686644.db2.gz SOGUJEOQGLCUAM-BDAKNGLRSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593006785 1167686647 /nfs/dbraw/zinc/68/66/47/1167686647.db2.gz SOGUJEOQGLCUAM-BDAKNGLRSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NCC[C@H](O)C1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593056438 1167695396 /nfs/dbraw/zinc/69/53/96/1167695396.db2.gz IDUCEHUGPZFCRU-JTQLQIEISA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCC[C@H](O)C1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593056438 1167695401 /nfs/dbraw/zinc/69/54/01/1167695401.db2.gz IDUCEHUGPZFCRU-JTQLQIEISA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCC[C@@H](O)C(F)F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593057610 1167695594 /nfs/dbraw/zinc/69/55/94/1167695594.db2.gz WXWCTKXFYQOKJE-SSDOTTSWSA-N -1 1 313.268 0.399 20 0 DCADMM O=C(NCC[C@@H](O)C(F)F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593057610 1167695598 /nfs/dbraw/zinc/69/55/98/1167695598.db2.gz WXWCTKXFYQOKJE-SSDOTTSWSA-N -1 1 313.268 0.399 20 0 DCADMM O=C(NCCC1CC(O)C1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001593060288 1167696870 /nfs/dbraw/zinc/69/68/70/1167696870.db2.gz NNHVMPUWUPLAKB-UHFFFAOYSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCCC1CC(O)C1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001593060288 1167696879 /nfs/dbraw/zinc/69/68/79/1167696879.db2.gz NNHVMPUWUPLAKB-UHFFFAOYSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCCOC1CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001593096680 1167707097 /nfs/dbraw/zinc/70/70/97/1167707097.db2.gz QLYMFOZMIIWHTF-UHFFFAOYSA-N -1 1 323.378 0.854 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1cc(F)cc(F)c1 ZINC001593111993 1167712228 /nfs/dbraw/zinc/71/22/28/1167712228.db2.gz KMXRZBYZMSHRSS-UHFFFAOYSA-N -1 1 320.263 0.166 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@@H]1CCCO1 ZINC001593149695 1167726935 /nfs/dbraw/zinc/72/69/35/1167726935.db2.gz BXNGSXIHOUGMFD-ZETCQYMHSA-N -1 1 309.355 0.301 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@@H]1CCCO1 ZINC001593149695 1167726942 /nfs/dbraw/zinc/72/69/42/1167726942.db2.gz BXNGSXIHOUGMFD-ZETCQYMHSA-N -1 1 309.355 0.301 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N(CCO)C1CCC1 ZINC001593148771 1167727256 /nfs/dbraw/zinc/72/72/56/1167727256.db2.gz BBXFWKNCILJWKL-UHFFFAOYSA-N -1 1 323.382 0.380 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N(CCO)C1CCC1 ZINC001593148771 1167727266 /nfs/dbraw/zinc/72/72/66/1167727266.db2.gz BBXFWKNCILJWKL-UHFFFAOYSA-N -1 1 323.382 0.380 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccnc(F)c1 ZINC001593151783 1167727367 /nfs/dbraw/zinc/72/73/67/1167727367.db2.gz CJAZDWJCMHJSSU-UHFFFAOYSA-N -1 1 305.298 0.787 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccnc(F)c1 ZINC001593151783 1167727377 /nfs/dbraw/zinc/72/73/77/1167727377.db2.gz CJAZDWJCMHJSSU-UHFFFAOYSA-N -1 1 305.298 0.787 20 0 DCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593182557 1167731680 /nfs/dbraw/zinc/73/16/80/1167731680.db2.gz OEBCISNWSVUNFM-DRTBCBBWSA-N -1 1 320.740 0.965 20 0 DCADMM O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593180794 1167733473 /nfs/dbraw/zinc/73/34/73/1167733473.db2.gz ORXDQRSJNQYPER-YUSALJHKSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593180794 1167733483 /nfs/dbraw/zinc/73/34/83/1167733483.db2.gz ORXDQRSJNQYPER-YUSALJHKSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@]12C[C@H]1COC21CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593197210 1167736361 /nfs/dbraw/zinc/73/63/61/1167736361.db2.gz QFMGOENIMQCKLQ-RMLUDKJBSA-N -1 1 301.306 0.901 20 0 DCADMM O=C(N[C@]12C[C@H]1COC21CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593197210 1167736372 /nfs/dbraw/zinc/73/63/72/1167736372.db2.gz QFMGOENIMQCKLQ-RMLUDKJBSA-N -1 1 301.306 0.901 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C(F)(F)c1nccs1 ZINC001593195917 1167736736 /nfs/dbraw/zinc/73/67/36/1167736736.db2.gz IMWNFXHPXKMPBD-UHFFFAOYSA-N -1 1 312.265 0.777 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C(F)(F)c1nccs1 ZINC001593195917 1167736742 /nfs/dbraw/zinc/73/67/42/1167736742.db2.gz IMWNFXHPXKMPBD-UHFFFAOYSA-N -1 1 312.265 0.777 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(CO)nc1 ZINC001593202554 1167739252 /nfs/dbraw/zinc/73/92/52/1167739252.db2.gz FLKSEEDOQHERJE-UHFFFAOYSA-N -1 1 312.289 0.712 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1CCC[C@H]1CO ZINC001593256415 1167746860 /nfs/dbraw/zinc/74/68/60/1167746860.db2.gz SZIPOCKVZNCYFL-WPRPVWTQSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1CCC[C@H]1CO ZINC001593256415 1167746864 /nfs/dbraw/zinc/74/68/64/1167746864.db2.gz SZIPOCKVZNCYFL-WPRPVWTQSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001593255776 1167747653 /nfs/dbraw/zinc/74/76/53/1167747653.db2.gz KLTRJMDDCJVXHJ-KKZNHRDASA-N -1 1 301.310 0.703 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001593255776 1167747659 /nfs/dbraw/zinc/74/76/59/1167747659.db2.gz KLTRJMDDCJVXHJ-KKZNHRDASA-N -1 1 301.310 0.703 20 0 DCADMM O=C([O-])[C@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001593276982 1167751384 /nfs/dbraw/zinc/75/13/84/1167751384.db2.gz WISHEGRRQQSVGL-PSASIEDQSA-N -1 1 309.351 0.650 20 0 DCADMM O=C([O-])CC[NH+]1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001593278881 1167756166 /nfs/dbraw/zinc/75/61/66/1167756166.db2.gz ZWJHESVUZJFYEV-UHFFFAOYSA-N -1 1 308.367 0.525 20 0 DCADMM O=C(OCC1(O)CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593284102 1167757634 /nfs/dbraw/zinc/75/76/34/1167757634.db2.gz ZVAUAPQIJIPLPO-UHFFFAOYSA-N -1 1 310.335 0.627 20 0 DCADMM O=C(OCC1(O)CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593284102 1167757637 /nfs/dbraw/zinc/75/76/37/1167757637.db2.gz ZVAUAPQIJIPLPO-UHFFFAOYSA-N -1 1 310.335 0.627 20 0 DCADMM O=C(OC[C@@H]1CCC2(COC2)O1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593283721 1167758267 /nfs/dbraw/zinc/75/82/67/1167758267.db2.gz HFRQYDGGCHQVHO-JTQLQIEISA-N -1 1 317.305 0.367 20 0 DCADMM O=C(OC[C@@H]1CCC2(COC2)O1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593283721 1167758276 /nfs/dbraw/zinc/75/82/76/1167758276.db2.gz HFRQYDGGCHQVHO-JTQLQIEISA-N -1 1 317.305 0.367 20 0 DCADMM O=C(OC[C@H]1CCC2(COC2)O1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593284364 1167759237 /nfs/dbraw/zinc/75/92/37/1167759237.db2.gz MJZOGHZBEUMRSS-SNVBAGLBSA-N -1 1 317.305 0.367 20 0 DCADMM O=C(OC[C@H]1CCC2(COC2)O1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593284364 1167759242 /nfs/dbraw/zinc/75/92/42/1167759242.db2.gz MJZOGHZBEUMRSS-SNVBAGLBSA-N -1 1 317.305 0.367 20 0 DCADMM O=C(OCCOCC(F)(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001593290200 1167759977 /nfs/dbraw/zinc/75/99/77/1167759977.db2.gz GTYNQRXPYPZFAU-UHFFFAOYSA-N -1 1 317.227 0.997 20 0 DCADMM O=C(OCCOCC(F)(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001593290200 1167759984 /nfs/dbraw/zinc/75/99/84/1167759984.db2.gz GTYNQRXPYPZFAU-UHFFFAOYSA-N -1 1 317.227 0.997 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593285889 1167761181 /nfs/dbraw/zinc/76/11/81/1167761181.db2.gz ZJWRTTVAWHMZNG-JFGNBEQYSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593285889 1167761184 /nfs/dbraw/zinc/76/11/84/1167761184.db2.gz ZJWRTTVAWHMZNG-JFGNBEQYSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCO[C@H](C(F)F)C1 ZINC001593358471 1167785889 /nfs/dbraw/zinc/78/58/89/1167785889.db2.gz IRAMSAXHJJOROF-VIFPVBQESA-N -1 1 310.264 0.368 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCO[C@H](C(F)F)C1 ZINC001593358471 1167785893 /nfs/dbraw/zinc/78/58/93/1167785893.db2.gz IRAMSAXHJJOROF-VIFPVBQESA-N -1 1 310.264 0.368 20 0 DCADMM O=C1[C@H]2CSCN2C(=O)N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC001593377607 1167790954 /nfs/dbraw/zinc/79/09/54/1167790954.db2.gz KLHWBZUEQSSRQR-SECBINFHSA-N -1 1 317.334 0.099 20 0 DCADMM O=C1[C@H]2CSCN2C(=O)N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001593377607 1167790956 /nfs/dbraw/zinc/79/09/56/1167790956.db2.gz KLHWBZUEQSSRQR-SECBINFHSA-N -1 1 317.334 0.099 20 0 DCADMM O=C1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1c1ccccc1 ZINC001593378479 1167792385 /nfs/dbraw/zinc/79/23/85/1167792385.db2.gz NUPUMWMBHUAURR-LLVKDONJSA-N -1 1 308.305 0.484 20 0 DCADMM O=C1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1c1ccccc1 ZINC001593378479 1167792396 /nfs/dbraw/zinc/79/23/96/1167792396.db2.gz NUPUMWMBHUAURR-LLVKDONJSA-N -1 1 308.305 0.484 20 0 DCADMM O=C(O[C@@H]1CC(=O)NC12CCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593385270 1167797702 /nfs/dbraw/zinc/79/77/02/1167797702.db2.gz YCXORXPQLIASGR-SNVBAGLBSA-N -1 1 317.305 0.818 20 0 DCADMM O=C(OC[C@@H]1CCNC(=O)C1)c1ccc(-c2nnn[n-]2)s1 ZINC001593385589 1167798623 /nfs/dbraw/zinc/79/86/23/1167798623.db2.gz HYHCDNDNGCFYIZ-SSDOTTSWSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OC[C@@H]1CCNC(=O)C1)c1ccc(-c2nn[n-]n2)s1 ZINC001593385589 1167798629 /nfs/dbraw/zinc/79/86/29/1167798629.db2.gz HYHCDNDNGCFYIZ-SSDOTTSWSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC(=O)Nc2cnccc21 ZINC001593397725 1167811953 /nfs/dbraw/zinc/81/19/53/1167811953.db2.gz BEZJOFIUUNPBJO-UHFFFAOYSA-N -1 1 311.261 0.454 20 0 DCADMM O=c1[nH]cccc1-c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001593401552 1167817883 /nfs/dbraw/zinc/81/78/83/1167817883.db2.gz NMPINNDIFJLRJA-MRVPVSSYSA-N -1 1 308.261 0.563 20 0 DCADMM O=c1[nH]cccc1-c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001593401552 1167817895 /nfs/dbraw/zinc/81/78/95/1167817895.db2.gz NMPINNDIFJLRJA-MRVPVSSYSA-N -1 1 308.261 0.563 20 0 DCADMM O=S(=O)(CCC1CC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001593418599 1167834716 /nfs/dbraw/zinc/83/47/16/1167834716.db2.gz ZBDWIGNLPYRGGC-UHFFFAOYSA-N -1 1 308.367 0.481 20 0 DCADMM O=S(=O)(CCC1CC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001593418599 1167834726 /nfs/dbraw/zinc/83/47/26/1167834726.db2.gz ZBDWIGNLPYRGGC-UHFFFAOYSA-N -1 1 308.367 0.481 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@H]2CCC[C@H]21)c1cccnc1-c1nn[n-]n1 ZINC001593433520 1167835372 /nfs/dbraw/zinc/83/53/72/1167835372.db2.gz FWWKLAHYZHBPCR-OPRDCNLKSA-N -1 1 320.378 0.729 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001593489189 1167873269 /nfs/dbraw/zinc/87/32/69/1167873269.db2.gz CZEWLMIYNPDDHE-OYNCUSHFSA-N -1 1 304.310 0.087 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@H]1CC2(CO1)CCOCC2 ZINC001593494689 1167876222 /nfs/dbraw/zinc/87/62/22/1167876222.db2.gz PHNOEWYTUQYFRQ-SNVBAGLBSA-N -1 1 318.337 0.009 20 0 DCADMM O=C1N=NCN1C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001593492770 1167876384 /nfs/dbraw/zinc/87/63/84/1167876384.db2.gz XJGCYALYSNZESV-UHFFFAOYSA-N -1 1 313.325 0.400 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@@H]1C[C@]13CCOC3)CCC2 ZINC001593491872 1167876442 /nfs/dbraw/zinc/87/64/42/1167876442.db2.gz AJFKZNCQHHDJGN-ZBEGNZNMSA-N -1 1 313.361 0.944 20 0 DCADMM O=c1ccn(CCCNc2ccnc(-c3nnn[n-]3)c2)c(=O)[nH]1 ZINC001593497350 1167880759 /nfs/dbraw/zinc/88/07/59/1167880759.db2.gz IAOXWXDFEUAUCC-UHFFFAOYSA-N -1 1 314.309 0.026 20 0 DCADMM O=c1ccn(CCCNc2ccnc(-c3nn[n-]n3)c2)c(=O)[nH]1 ZINC001593497350 1167880769 /nfs/dbraw/zinc/88/07/69/1167880769.db2.gz IAOXWXDFEUAUCC-UHFFFAOYSA-N -1 1 314.309 0.026 20 0 DCADMM O[C@H](COCc1cccs1)Cn1cc(-c2nn[n-]n2)nn1 ZINC001593507618 1167885830 /nfs/dbraw/zinc/88/58/30/1167885830.db2.gz RNWBTMQFUMDFLM-QMMMGPOBSA-N -1 1 307.339 0.097 20 0 DCADMM OC1(Cc2cn(Cc3ccc(-c4nnn[n-]4)o3)nn2)CCC1 ZINC001593515450 1167892203 /nfs/dbraw/zinc/89/22/03/1167892203.db2.gz KVQRLUZLUZICDG-UHFFFAOYSA-N -1 1 301.310 0.557 20 0 DCADMM OC1(Cc2cn(Cc3ccc(-c4nn[n-]n4)o3)nn2)CCC1 ZINC001593515450 1167892211 /nfs/dbraw/zinc/89/22/11/1167892211.db2.gz KVQRLUZLUZICDG-UHFFFAOYSA-N -1 1 301.310 0.557 20 0 DCADMM O[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1F ZINC001593519447 1167895894 /nfs/dbraw/zinc/89/58/94/1167895894.db2.gz NVEZVOZURZBLKZ-UHNVWZDZSA-N -1 1 304.738 0.886 20 0 DCADMM O[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1F ZINC001593519447 1167895901 /nfs/dbraw/zinc/89/59/01/1167895901.db2.gz NVEZVOZURZBLKZ-UHNVWZDZSA-N -1 1 304.738 0.886 20 0 DCADMM OC[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)Cc1ccccc1 ZINC001593522893 1167898745 /nfs/dbraw/zinc/89/87/45/1167898745.db2.gz HJHKSTNYNSLMEY-GFCCVEGCSA-N -1 1 311.349 0.920 20 0 DCADMM OC[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)Cc1ccccc1 ZINC001593522893 1167898753 /nfs/dbraw/zinc/89/87/53/1167898753.db2.gz HJHKSTNYNSLMEY-GFCCVEGCSA-N -1 1 311.349 0.920 20 0 DCADMM OCCCOC1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001593530995 1167908927 /nfs/dbraw/zinc/90/89/27/1167908927.db2.gz DLBCHJYVXWMIRH-UHFFFAOYSA-N -1 1 304.354 0.630 20 0 DCADMM OCCCOC1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001593530995 1167908940 /nfs/dbraw/zinc/90/89/40/1167908940.db2.gz DLBCHJYVXWMIRH-UHFFFAOYSA-N -1 1 304.354 0.630 20 0 DCADMM c1cc([C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CCO2)ccn1 ZINC001593550994 1167932748 /nfs/dbraw/zinc/93/27/48/1167932748.db2.gz BEUSMDSVVFDAGB-VXGBXAGGSA-N -1 1 324.348 0.806 20 0 DCADMM c1cc(CN2CCOC[C@H]2[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001593555459 1167934556 /nfs/dbraw/zinc/93/45/56/1167934556.db2.gz LMNJUIDYCCSWHB-KBPBESRZSA-N -1 1 316.365 0.642 20 0 DCADMM c1cc(N[C@@H]2CCCC23CCOCC3)nc(-c2nn[n-]n2)n1 ZINC001593558979 1167936860 /nfs/dbraw/zinc/93/68/60/1167936860.db2.gz ROVOGQNLFGFGHK-SNVBAGLBSA-N -1 1 301.354 0.840 20 0 DCADMM c1ccc(N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001593576243 1167946629 /nfs/dbraw/zinc/94/66/29/1167946629.db2.gz SCJMFIJSFDHFTP-SNVBAGLBSA-N -1 1 309.337 0.743 20 0 DCADMM c1ccc(N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001593576243 1167946635 /nfs/dbraw/zinc/94/66/35/1167946635.db2.gz SCJMFIJSFDHFTP-SNVBAGLBSA-N -1 1 309.337 0.743 20 0 DCADMM c1csc(-c2nc(Cn3cc(-c4nn[n-]n4)nn3)no2)c1 ZINC001593588517 1167952500 /nfs/dbraw/zinc/95/25/00/1167952500.db2.gz CABRQXDJVKTNNB-UHFFFAOYSA-N -1 1 301.295 0.618 20 0 DCADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1nnc2n1CCCC2 ZINC001593594035 1167957443 /nfs/dbraw/zinc/95/74/43/1167957443.db2.gz YVCAMHCXYRUVMA-UHFFFAOYSA-N -1 1 310.325 0.292 20 0 DCADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1CCOC12CCOCC2 ZINC001593594399 1167957537 /nfs/dbraw/zinc/95/75/37/1167957537.db2.gz BBVMPKNAQFPHPV-SNVBAGLBSA-N -1 1 303.326 0.407 20 0 DCADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1CCOC12CCOCC2 ZINC001593594399 1167957540 /nfs/dbraw/zinc/95/75/40/1167957540.db2.gz BBVMPKNAQFPHPV-SNVBAGLBSA-N -1 1 303.326 0.407 20 0 DCADMM c1ncc(-c2nnn[n-]2)nc1NCCCOC[C@@H]1CCOC1 ZINC001593595462 1167959595 /nfs/dbraw/zinc/95/95/95/1167959595.db2.gz QRASIIGJCCANTH-JTQLQIEISA-N -1 1 305.342 0.512 20 0 DCADMM c1ncc(-c2nn[n-]n2)nc1NCCCOC[C@@H]1CCOC1 ZINC001593595462 1167959600 /nfs/dbraw/zinc/95/96/00/1167959600.db2.gz QRASIIGJCCANTH-JTQLQIEISA-N -1 1 305.342 0.512 20 0 DCADMM c1ncc(-c2nnn[n-]2)nc1NCCCOC[C@@H]1CCCO1 ZINC001593595478 1167959918 /nfs/dbraw/zinc/95/99/18/1167959918.db2.gz RBRXPBDNRQMLBR-JTQLQIEISA-N -1 1 305.342 0.654 20 0 DCADMM c1ncc(-c2nn[n-]n2)nc1NCCCOC[C@@H]1CCCO1 ZINC001593595478 1167959922 /nfs/dbraw/zinc/95/99/22/1167959922.db2.gz RBRXPBDNRQMLBR-JTQLQIEISA-N -1 1 305.342 0.654 20 0 DCADMM COC[C@@H](NC(=O)C=Cc1ccc2c(c1)OCO2)c1nn[n-]n1 ZINC001595889473 1167981887 /nfs/dbraw/zinc/98/18/87/1167981887.db2.gz PZFJVKUNTZJBMA-RXNUUUNCSA-N -1 1 317.305 0.446 20 0 DCADMM O=C(NCCc1nnc2c(=O)[nH]ccn12)c1ccc([O-])cc1F ZINC001595927078 1167982517 /nfs/dbraw/zinc/98/25/17/1167982517.db2.gz DAAOMTWKAKYCFS-UHFFFAOYSA-N -1 1 317.280 0.235 20 0 DCADMM O=C(c1nnc2ccccc2n1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001595948661 1167985291 /nfs/dbraw/zinc/98/52/91/1167985291.db2.gz SGZLYIHXJQOHAW-JTQLQIEISA-N -1 1 324.348 0.633 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NC2CCS(=O)(=O)CC2)c1 ZINC001595993744 1167985556 /nfs/dbraw/zinc/98/55/56/1167985556.db2.gz ZXBNDGJLCLNVKE-UHFFFAOYSA-N -1 1 311.359 0.820 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)[C@@H](C(=O)[O-])C1 ZINC001598795140 1168036481 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ORIAEKNHKJODSF-VXNVDRBHSA-N -1 1 303.326 0.353 20 0 DCADMM COC(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)[C@@H]1C ZINC001604925642 1169745531 /nfs/dbraw/zinc/74/55/31/1169745531.db2.gz ORIAEKNHKJODSF-VXNVDRBHSA-N -1 1 303.326 0.353 20 0 DCADMM COC(=O)C[C@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001604934813 1169754788 /nfs/dbraw/zinc/75/47/88/1169754788.db2.gz ZUIYXUXUIHQUHN-SNVBAGLBSA-N -1 1 317.353 0.887 20 0 DCADMM COC(=O)C[C@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001604934813 1169754793 /nfs/dbraw/zinc/75/47/93/1169754793.db2.gz ZUIYXUXUIHQUHN-SNVBAGLBSA-N -1 1 317.353 0.887 20 0 DCADMM COC(=O)CCNc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001604938264 1169756558 /nfs/dbraw/zinc/75/65/58/1169756558.db2.gz IWZRPQGKCNVEHM-UHFFFAOYSA-N -1 1 306.282 0.023 20 0 DCADMM COC(=O)CCNc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001604938264 1169756567 /nfs/dbraw/zinc/75/65/67/1169756567.db2.gz IWZRPQGKCNVEHM-UHFFFAOYSA-N -1 1 306.282 0.023 20 0 DCADMM COC(=O)CN(C(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001604938963 1169756694 /nfs/dbraw/zinc/75/66/94/1169756694.db2.gz KNZVYBNFLFPSCT-UHFFFAOYSA-N -1 1 304.310 0.285 20 0 DCADMM COC(=O)CN(C(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001604938963 1169756700 /nfs/dbraw/zinc/75/67/00/1169756700.db2.gz KNZVYBNFLFPSCT-UHFFFAOYSA-N -1 1 304.310 0.285 20 0 DCADMM COC(=O)c1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001604969935 1169767375 /nfs/dbraw/zinc/76/73/75/1169767375.db2.gz LSDMKBFJIRRXGG-UHFFFAOYSA-N -1 1 313.277 0.121 20 0 DCADMM COC(=O)c1ccc(NCC[C@H]2CCOC2)c(-c2nnn[n-]2)n1 ZINC001604974091 1169770376 /nfs/dbraw/zinc/77/03/76/1169770376.db2.gz ASOIGYQTDZDKPU-VIFPVBQESA-N -1 1 318.337 0.887 20 0 DCADMM COC(=O)c1ccc(NCC[C@H]2CCOC2)c(-c2nn[n-]n2)n1 ZINC001604974091 1169770383 /nfs/dbraw/zinc/77/03/83/1169770383.db2.gz ASOIGYQTDZDKPU-VIFPVBQESA-N -1 1 318.337 0.887 20 0 DCADMM COC(C)(C)c1noc([C@@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001604997950 1169774056 /nfs/dbraw/zinc/77/40/56/1169774056.db2.gz NHVFTQLLFCMZPR-ZCFIWIBFSA-N -1 1 305.302 0.332 20 0 DCADMM COC1(C)CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001605015924 1169780879 /nfs/dbraw/zinc/78/08/79/1169780879.db2.gz RPLJJKHMNWDVNX-UHFFFAOYSA-N -1 1 316.365 0.832 20 0 DCADMM COC1(C)CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001605015924 1169780887 /nfs/dbraw/zinc/78/08/87/1169780887.db2.gz RPLJJKHMNWDVNX-UHFFFAOYSA-N -1 1 316.365 0.832 20 0 DCADMM COC1(CCNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001605016773 1169781048 /nfs/dbraw/zinc/78/10/48/1169781048.db2.gz ZZDPXJCDLPBKDC-UHFFFAOYSA-N -1 1 316.365 0.880 20 0 DCADMM COC1(CCNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001605016773 1169781051 /nfs/dbraw/zinc/78/10/51/1169781051.db2.gz ZZDPXJCDLPBKDC-UHFFFAOYSA-N -1 1 316.365 0.880 20 0 DCADMM CO[C@@H](COC(=O)c1coc(-c2nnn[n-]2)c1)[C@@H]1CCOC1 ZINC001605013509 1169781296 /nfs/dbraw/zinc/78/12/96/1169781296.db2.gz ZDGXMKZJHZJVBK-KCJUWKMLSA-N -1 1 308.294 0.668 20 0 DCADMM CO[C@@H](COC(=O)c1coc(-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC001605013509 1169781303 /nfs/dbraw/zinc/78/13/03/1169781303.db2.gz ZDGXMKZJHZJVBK-KCJUWKMLSA-N -1 1 308.294 0.668 20 0 DCADMM CO[C@H]1CCC[C@@H]1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001605031441 1169785881 /nfs/dbraw/zinc/78/58/81/1169785881.db2.gz VHDAEHBTJMIYDA-IUCAKERBSA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@H]1CCC[C@@H]1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001605031441 1169785889 /nfs/dbraw/zinc/78/58/89/1169785889.db2.gz VHDAEHBTJMIYDA-IUCAKERBSA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001605028384 1169785924 /nfs/dbraw/zinc/78/59/24/1169785924.db2.gz CVKCJEGELWCFTR-NWDGAFQWSA-N -1 1 302.338 0.440 20 0 DCADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001605028384 1169785929 /nfs/dbraw/zinc/78/59/29/1169785929.db2.gz CVKCJEGELWCFTR-NWDGAFQWSA-N -1 1 302.338 0.440 20 0 DCADMM COCCO[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001605107193 1169824241 /nfs/dbraw/zinc/82/42/41/1169824241.db2.gz AYQAEHNQPLHFIT-JTQLQIEISA-N -1 1 305.342 0.207 20 0 DCADMM COCCO[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001605107193 1169824254 /nfs/dbraw/zinc/82/42/54/1169824254.db2.gz AYQAEHNQPLHFIT-JTQLQIEISA-N -1 1 305.342 0.207 20 0 DCADMM COCc1ccc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)cc1 ZINC001605134414 1169838066 /nfs/dbraw/zinc/83/80/66/1169838066.db2.gz ZKKCKOLFBAJDIP-UHFFFAOYSA-N -1 1 314.305 0.324 20 0 DCADMM CCC1CCC(NC(=O)[C@@H]2CN3CCN2C[C@H]3C)(C(=O)[O-])CC1 ZINC001605158380 1169849088 /nfs/dbraw/zinc/84/90/88/1169849088.db2.gz YCBCOEFRPMAVSG-ZBUZPQQSSA-N -1 1 323.437 0.915 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)nc1Cl ZINC001605259405 1169883396 /nfs/dbraw/zinc/88/33/96/1169883396.db2.gz NYVTZKHRUGIWGP-UHFFFAOYSA-N -1 1 320.700 0.899 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)nc1Cl ZINC001605259405 1169883402 /nfs/dbraw/zinc/88/34/02/1169883402.db2.gz NYVTZKHRUGIWGP-UHFFFAOYSA-N -1 1 320.700 0.899 20 0 DCADMM COc1ccc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001605280024 1169886411 /nfs/dbraw/zinc/88/64/11/1169886411.db2.gz FAYCAUCNTFECPV-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1ccc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001605280024 1169886414 /nfs/dbraw/zinc/88/64/14/1169886414.db2.gz FAYCAUCNTFECPV-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1cccc(C(=O)Cn2c(C)c(C)nc2-c2nnn[n-]2)n1 ZINC001605313618 1169892806 /nfs/dbraw/zinc/89/28/06/1169892806.db2.gz DOYSPOWDUMUJMA-UHFFFAOYSA-N -1 1 313.321 0.967 20 0 DCADMM COc1cccc(C(=O)Cn2c(C)c(C)nc2-c2nn[n-]n2)n1 ZINC001605313618 1169892809 /nfs/dbraw/zinc/89/28/09/1169892809.db2.gz DOYSPOWDUMUJMA-UHFFFAOYSA-N -1 1 313.321 0.967 20 0 DCADMM CCCN1C(=O)C(=O)N(CN2C[C@@H](C)[C@](C)(C(=O)[O-])C2)C1=O ZINC001605320455 1169893445 /nfs/dbraw/zinc/89/34/45/1169893445.db2.gz GRPWQMGWORRLAZ-YMTOWFKASA-N -1 1 311.338 0.187 20 0 DCADMM COc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001605321335 1169893670 /nfs/dbraw/zinc/89/36/70/1169893670.db2.gz BDEVWAGWQAFXSP-UHFFFAOYSA-N -1 1 300.282 0.106 20 0 DCADMM COc1ncc(NC(=O)C[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC001605349279 1169900891 /nfs/dbraw/zinc/90/08/91/1169900891.db2.gz YZHVMHDRULSTSQ-QMMMGPOBSA-N -1 1 304.310 0.635 20 0 DCADMM COc1nn(C)cc1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001605352566 1169901549 /nfs/dbraw/zinc/90/15/49/1169901549.db2.gz QYVVVVUZOOJQIR-UHFFFAOYSA-N -1 1 315.297 0.648 20 0 DCADMM COc1nn(C)cc1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001605352566 1169901552 /nfs/dbraw/zinc/90/15/52/1169901552.db2.gz QYVVVVUZOOJQIR-UHFFFAOYSA-N -1 1 315.297 0.648 20 0 DCADMM CCCc1cc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n[nH]1 ZINC001605369852 1169905794 /nfs/dbraw/zinc/90/57/94/1169905794.db2.gz NYWFFSFNHPYHJI-WDEREUQCSA-N -1 1 320.349 0.024 20 0 DCADMM C[C@H]1C[C@@H](O)CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001605444983 1169923736 /nfs/dbraw/zinc/92/37/36/1169923736.db2.gz BFRIPLBMTBOKAJ-DTWKUNHWSA-N -1 1 305.313 0.849 20 0 DCADMM C[C@H]1C[C@@H](O)CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001605444983 1169923740 /nfs/dbraw/zinc/92/37/40/1169923740.db2.gz BFRIPLBMTBOKAJ-DTWKUNHWSA-N -1 1 305.313 0.849 20 0 DCADMM CCN1CC[C@@H](N2CCC(O)(C3(C(=O)[O-])CCC3)CC2)C1=O ZINC001605472425 1169932677 /nfs/dbraw/zinc/93/26/77/1169932677.db2.gz OQLYQWKCLVQQAS-GFCCVEGCSA-N -1 1 310.394 0.689 20 0 DCADMM CCOC(=O)[C@@H](CC)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001605507376 1169942042 /nfs/dbraw/zinc/94/20/42/1169942042.db2.gz FJZQYDAWFWGXDX-RYUDHWBXSA-N -1 1 314.382 0.583 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1ccns1 ZINC001605509155 1169943387 /nfs/dbraw/zinc/94/33/87/1169943387.db2.gz AURFIPBTWWFOBH-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2CC(N)=O)n1 ZINC001605561181 1169960239 /nfs/dbraw/zinc/96/02/39/1169960239.db2.gz UEXJLDYWNRWMTN-SECBINFHSA-N -1 1 302.342 0.199 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2CC(N)=O)n1 ZINC001605561181 1169960246 /nfs/dbraw/zinc/96/02/46/1169960246.db2.gz UEXJLDYWNRWMTN-SECBINFHSA-N -1 1 302.342 0.199 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](N3CCCC3=O)C2)n1 ZINC001605559811 1169960296 /nfs/dbraw/zinc/96/02/96/1169960296.db2.gz HWGPRHHRNQOGTB-SNVBAGLBSA-N -1 1 314.353 0.166 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](N3CCCC3=O)C2)n1 ZINC001605559811 1169960303 /nfs/dbraw/zinc/96/03/03/1169960303.db2.gz HWGPRHHRNQOGTB-SNVBAGLBSA-N -1 1 314.353 0.166 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@]3(CCOC3)C2)n1 ZINC001605560871 1169960797 /nfs/dbraw/zinc/96/07/97/1169960797.db2.gz KHOFLSAEAFXGNJ-CQSZACIVSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@]3(CCOC3)C2)n1 ZINC001605560871 1169960803 /nfs/dbraw/zinc/96/08/03/1169960803.db2.gz KHOFLSAEAFXGNJ-CQSZACIVSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCC(C(N)=O)CC2)n1 ZINC001605572720 1169962831 /nfs/dbraw/zinc/96/28/31/1169962831.db2.gz LVXXMMFDRNEDGI-UHFFFAOYSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC(C(N)=O)CC2)n1 ZINC001605572720 1169962836 /nfs/dbraw/zinc/96/28/36/1169962836.db2.gz LVXXMMFDRNEDGI-UHFFFAOYSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(=O)c(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c[nH]1 ZINC001605586906 1169965370 /nfs/dbraw/zinc/96/53/70/1169965370.db2.gz YAEARRSBVQRANX-UHFFFAOYSA-N -1 1 311.305 0.535 20 0 DCADMM Cc1cc(=O)c(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c[nH]1 ZINC001605586906 1169965374 /nfs/dbraw/zinc/96/53/74/1169965374.db2.gz YAEARRSBVQRANX-UHFFFAOYSA-N -1 1 311.305 0.535 20 0 DCADMM CCO[C@@H]1C[C@@](NC(=O)CCc2c[nH]nn2)(C(=O)[O-])C1(C)C ZINC001605603350 1169969576 /nfs/dbraw/zinc/96/95/76/1169969576.db2.gz BLKLTNQUISWMOQ-QMTHXVAHSA-N -1 1 310.354 0.512 20 0 DCADMM CCO[C@@H]1C[C@@](NC(=O)CCc2cnn[nH]2)(C(=O)[O-])C1(C)C ZINC001605603350 1169969582 /nfs/dbraw/zinc/96/95/82/1169969582.db2.gz BLKLTNQUISWMOQ-QMTHXVAHSA-N -1 1 310.354 0.512 20 0 DCADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1CC=CC1 ZINC001605678786 1169985979 /nfs/dbraw/zinc/98/59/79/1169985979.db2.gz DFPDQINJVGKNTC-UHFFFAOYSA-N -1 1 309.326 0.875 20 0 DCADMM Cc1cc(N2CCC3=C(CCC(=O)N3)C2)cc(-c2nnn[n-]2)n1 ZINC001605694817 1169987272 /nfs/dbraw/zinc/98/72/72/1169987272.db2.gz IQKYGAVVESEDRI-UHFFFAOYSA-N -1 1 311.349 0.944 20 0 DCADMM Cc1cc(N2CCC3=C(CCC(=O)N3)C2)cc(-c2nn[n-]n2)n1 ZINC001605694817 1169987276 /nfs/dbraw/zinc/98/72/76/1169987276.db2.gz IQKYGAVVESEDRI-UHFFFAOYSA-N -1 1 311.349 0.944 20 0 DCADMM Cc1cc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cn(C)c1=O ZINC001605717544 1169991079 /nfs/dbraw/zinc/99/10/79/1169991079.db2.gz OIJIZOLMRPUAGV-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM Cc1cc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cn(C)c1=O ZINC001605717544 1169991084 /nfs/dbraw/zinc/99/10/84/1169991084.db2.gz OIJIZOLMRPUAGV-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(OCCCO)CC1 ZINC001605803008 1170004046 /nfs/dbraw/zinc/00/40/46/1170004046.db2.gz TUEVJDKSZZZJHN-UHFFFAOYSA-N -1 1 318.381 0.938 20 0 DCADMM CCc1cc(CCCN2CCC[C@H]2C(=O)NCC(=O)[O-])on1 ZINC001605798631 1170004890 /nfs/dbraw/zinc/00/48/90/1170004890.db2.gz QJVYGHLKOFUDEN-ZDUSSCGKSA-N -1 1 309.366 0.835 20 0 DCADMM CCc1nc(C)ncc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001605848719 1170010774 /nfs/dbraw/zinc/01/07/74/1170010774.db2.gz MWRIKSYXHHUFPW-LLVKDONJSA-N -1 1 320.393 0.968 20 0 DCADMM Cc1ccc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cc1F ZINC001605861332 1170014727 /nfs/dbraw/zinc/01/47/27/1170014727.db2.gz MCBKEXVKRSJGHX-UHFFFAOYSA-N -1 1 316.296 0.223 20 0 DCADMM Cc1cccc(CCNC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001605913102 1170025289 /nfs/dbraw/zinc/02/52/89/1170025289.db2.gz BOQVMHDNHNGVCP-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1cccc(CCNC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001605913102 1170025297 /nfs/dbraw/zinc/02/52/97/1170025297.db2.gz BOQVMHDNHNGVCP-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM CCn1ccc(CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)n1 ZINC001605927115 1170028498 /nfs/dbraw/zinc/02/84/98/1170028498.db2.gz AVHKEEDHAVQNCE-GFCCVEGCSA-N -1 1 308.382 0.453 20 0 DCADMM Cc1ccncc1CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001605961579 1170038159 /nfs/dbraw/zinc/03/81/59/1170038159.db2.gz QXWNDQZCNKRZPW-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1ccncc1CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001605961579 1170038166 /nfs/dbraw/zinc/03/81/66/1170038166.db2.gz QXWNDQZCNKRZPW-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1cnn([C@@H]2CCN(C(=O)c3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC001605988912 1170041858 /nfs/dbraw/zinc/04/18/58/1170041858.db2.gz ADZNODDHMQLFPV-LLVKDONJSA-N -1 1 324.348 0.854 20 0 DCADMM Cc1cnn([C@@H]2CCN(C(=O)c3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC001605988912 1170041862 /nfs/dbraw/zinc/04/18/62/1170041862.db2.gz ADZNODDHMQLFPV-LLVKDONJSA-N -1 1 324.348 0.854 20 0 DCADMM CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1cnc(C(=O)[O-])cn1 ZINC001605995019 1170043581 /nfs/dbraw/zinc/04/35/81/1170043581.db2.gz RWNJEJTWUDAMAR-GFCCVEGCSA-N -1 1 321.381 0.529 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H](C)c2ccnn2C)c1-c1nn[n-]n1 ZINC001606013439 1170050171 /nfs/dbraw/zinc/05/01/71/1170050171.db2.gz PZRQXUOHQYTSBT-ZCFIWIBFSA-N -1 1 301.314 0.374 20 0 DCADMM CN(C)S(=O)(=O)CCNCc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001606039514 1170062220 /nfs/dbraw/zinc/06/22/20/1170062220.db2.gz WTLGJJFUAKXEFR-UHFFFAOYSA-N -1 1 315.395 0.571 20 0 DCADMM Cc1nc2c(nccc2C(=O)Nc2n[nH]cc2-c2nnn[n-]2)[nH]1 ZINC001606082352 1170070921 /nfs/dbraw/zinc/07/09/21/1170070921.db2.gz PCLFOSSSLQRROO-UHFFFAOYSA-N -1 1 310.281 0.422 20 0 DCADMM Cc1nc2c(nccc2C(=O)Nc2n[nH]cc2-c2nn[n-]n2)[nH]1 ZINC001606082352 1170070928 /nfs/dbraw/zinc/07/09/28/1170070928.db2.gz PCLFOSSSLQRROO-UHFFFAOYSA-N -1 1 310.281 0.422 20 0 DCADMM CN(CC(=O)Nc1ccc(OCC(=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC001606085279 1170072820 /nfs/dbraw/zinc/07/28/20/1170072820.db2.gz QONCXFQNQJZRKU-ZIAGYGMSSA-N -1 1 322.361 0.934 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](O)CNc1ccnc(-c2nnn[n-]2)c1 ZINC001606107758 1170077283 /nfs/dbraw/zinc/07/72/83/1170077283.db2.gz SCYNYBXOQHWIEL-GFCCVEGCSA-N -1 1 314.353 0.179 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](O)CNc1ccnc(-c2nn[n-]n2)c1 ZINC001606107758 1170077297 /nfs/dbraw/zinc/07/72/97/1170077297.db2.gz SCYNYBXOQHWIEL-GFCCVEGCSA-N -1 1 314.353 0.179 20 0 DCADMM Cc1nnc(Sc2nnc(C)c(C)c2-c2nn[n-]n2)n1N ZINC001606124741 1170084821 /nfs/dbraw/zinc/08/48/21/1170084821.db2.gz DRIIVAJYHOENSH-UHFFFAOYSA-N -1 1 304.343 0.038 20 0 DCADMM Cc1noc(C)c1CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606130349 1170089236 /nfs/dbraw/zinc/08/92/36/1170089236.db2.gz WVIUKNLNRCBDNY-UHFFFAOYSA-N -1 1 313.321 0.839 20 0 DCADMM Cc1noc(C)c1CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606130349 1170089243 /nfs/dbraw/zinc/08/92/43/1170089243.db2.gz WVIUKNLNRCBDNY-UHFFFAOYSA-N -1 1 313.321 0.839 20 0 DCADMM Cc1nsc(N2CC[C@@H](c3nncn3C)C2)c1-c1nn[n-]n1 ZINC001606145087 1170094667 /nfs/dbraw/zinc/09/46/67/1170094667.db2.gz VOSZBURFTRMICK-MRVPVSSYSA-N -1 1 317.382 0.754 20 0 DCADMM Cc1nsc(NC[C@@H](CO)[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC001606156577 1170095488 /nfs/dbraw/zinc/09/54/88/1170095488.db2.gz HXTPFYBEPKJNFQ-BDAKNGLRSA-N -1 1 310.383 0.689 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](CO)CCF)c1-c1nnn[n-]1 ZINC001606152118 1170095783 /nfs/dbraw/zinc/09/57/83/1170095783.db2.gz PELNOBDDHKKBBX-LURJTMIESA-N -1 1 315.334 0.474 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](CO)CCF)c1-c1nn[n-]n1 ZINC001606152118 1170095790 /nfs/dbraw/zinc/09/57/90/1170095790.db2.gz PELNOBDDHKKBBX-LURJTMIESA-N -1 1 315.334 0.474 20 0 DCADMM Cc1nsc(NC[C@H](O)COCC2CC2)c1-c1nn[n-]n1 ZINC001606159450 1170097340 /nfs/dbraw/zinc/09/73/40/1170097340.db2.gz YPPXJPJELQTYOH-VIFPVBQESA-N -1 1 310.383 0.831 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC001606166302 1170098392 /nfs/dbraw/zinc/09/83/92/1170098392.db2.gz ALXVAHCXQADLIS-WKEGUHRASA-N -1 1 304.310 0.023 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC001606166302 1170098397 /nfs/dbraw/zinc/09/83/97/1170098397.db2.gz ALXVAHCXQADLIS-WKEGUHRASA-N -1 1 304.310 0.023 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)[C@H]1CCNC(=O)C1 ZINC001606169848 1170102551 /nfs/dbraw/zinc/10/25/51/1170102551.db2.gz UTRSAPSYAYOLDM-APPZFPTMSA-N -1 1 319.321 0.840 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)[C@H]1CCNC(=O)C1 ZINC001606169848 1170102553 /nfs/dbraw/zinc/10/25/53/1170102553.db2.gz UTRSAPSYAYOLDM-APPZFPTMSA-N -1 1 319.321 0.840 20 0 DCADMM Cn1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001606174311 1170102672 /nfs/dbraw/zinc/10/26/72/1170102672.db2.gz FZHOCZRRVAHJCB-KGLIPLIRSA-N -1 1 320.393 0.564 20 0 DCADMM Cc1onc(CC(=O)N[C@H](C)c2nccn2C)c1-c1nnn[n-]1 ZINC001606179937 1170104590 /nfs/dbraw/zinc/10/45/90/1170104590.db2.gz PCAMLDFPPSVZOB-SSDOTTSWSA-N -1 1 316.325 0.317 20 0 DCADMM Cc1onc(CC(=O)N[C@H](C)c2nccn2C)c1-c1nn[n-]n1 ZINC001606179937 1170104593 /nfs/dbraw/zinc/10/45/93/1170104593.db2.gz PCAMLDFPPSVZOB-SSDOTTSWSA-N -1 1 316.325 0.317 20 0 DCADMM CN1C[C@H](O)C[C@]1(C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001606204411 1170110962 /nfs/dbraw/zinc/11/09/62/1170110962.db2.gz GAWKUKDPAYAZPL-CZUORRHYSA-N -1 1 304.346 0.682 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2CCCC[C@H]2F)c(-c2nn[n-]n2)c1=O ZINC001606206111 1170112486 /nfs/dbraw/zinc/11/24/86/1170112486.db2.gz RIRDHWUNVMDSLM-RNFRBKRXSA-N -1 1 309.305 0.359 20 0 DCADMM CN1CC[C@@H]1CNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606219032 1170120548 /nfs/dbraw/zinc/12/05/48/1170120548.db2.gz QHJIKJXFIGJDGY-MNOVXSKESA-N -1 1 322.369 0.027 20 0 DCADMM CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001606221447 1170120560 /nfs/dbraw/zinc/12/05/60/1170120560.db2.gz KYTIDCOBGQBCIC-ZDUSSCGKSA-N -1 1 319.361 0.463 20 0 DCADMM Cn1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c(C(C)(C)C)n1 ZINC001606230404 1170126195 /nfs/dbraw/zinc/12/61/95/1170126195.db2.gz GZFNFVKGADFLIT-UHFFFAOYSA-N -1 1 315.341 0.873 20 0 DCADMM CN1CCC[C@@H]1C(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001606228496 1170126210 /nfs/dbraw/zinc/12/62/10/1170126210.db2.gz AEVNWZKQKAYASN-LLVKDONJSA-N -1 1 314.382 0.726 20 0 DCADMM C[N@H+]1CCN(C(=O)c2cccc3n[nH]cc32)C[C@@H](C(=O)[O-])C1 ZINC001606236229 1170130020 /nfs/dbraw/zinc/13/00/20/1170130020.db2.gz UPNKZYSSYLTWDG-JTQLQIEISA-N -1 1 302.334 0.651 20 0 DCADMM CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001606237350 1170130260 /nfs/dbraw/zinc/13/02/60/1170130260.db2.gz CLDBBZFHRMMVNS-NSHDSACASA-N -1 1 307.354 0.147 20 0 DCADMM CN1CCN(C)[C@@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)C1 ZINC001606238363 1170130274 /nfs/dbraw/zinc/13/02/74/1170130274.db2.gz WUXKBMBBYATEHQ-JQRITLKVSA-N -1 1 309.410 0.384 20 0 DCADMM CN1CCN(S(=O)(=O)CC2(C)CCC2)C[C@H](C(=O)[O-])C1 ZINC001606245025 1170136326 /nfs/dbraw/zinc/13/63/26/1170136326.db2.gz PAMSMSYTCKIFFQ-LLVKDONJSA-N -1 1 304.412 0.455 20 0 DCADMM CNC(=O)c1ccc(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cc1 ZINC001606285901 1170149492 /nfs/dbraw/zinc/14/94/92/1170149492.db2.gz ZWAZVGZMSHZXKK-MRXNPFEDSA-N -1 1 317.345 0.852 20 0 DCADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1nccnc1-c1nnn[n-]1 ZINC001606299409 1170153691 /nfs/dbraw/zinc/15/36/91/1170153691.db2.gz DLKNDBPXZVXINC-HQJQHLMTSA-N -1 1 309.280 0.883 20 0 DCADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1nccnc1-c1nn[n-]n1 ZINC001606299409 1170153695 /nfs/dbraw/zinc/15/36/95/1170153695.db2.gz DLKNDBPXZVXINC-HQJQHLMTSA-N -1 1 309.280 0.883 20 0 DCADMM FC(F)CN1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001606298381 1170154168 /nfs/dbraw/zinc/15/41/68/1170154168.db2.gz LMPSAHPZOZLHMA-MRVPVSSYSA-N -1 1 310.312 0.798 20 0 DCADMM FC(F)CN1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001606298381 1170154172 /nfs/dbraw/zinc/15/41/72/1170154172.db2.gz LMPSAHPZOZLHMA-MRVPVSSYSA-N -1 1 310.312 0.798 20 0 DCADMM CNS(=O)(=O)[C@H]1CCN(Cc2ccccc2CC(=O)[O-])C1 ZINC001606298919 1170154638 /nfs/dbraw/zinc/15/46/38/1170154638.db2.gz MDKMXAAFXWBQJW-ZDUSSCGKSA-N -1 1 312.391 0.437 20 0 DCADMM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001606323668 1170158769 /nfs/dbraw/zinc/15/87/69/1170158769.db2.gz MHCYBKQSJWASGV-JTQLQIEISA-N -1 1 318.289 0.218 20 0 DCADMM COC(=O)[C@H]1CCN(CCOC(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC001606408251 1170187756 /nfs/dbraw/zinc/18/77/56/1170187756.db2.gz AXAJBXMJYFPHCF-VHSXEESVSA-N -1 1 302.327 0.023 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)[C@H](N)c2ccccc2C)C[C@H]1C(=O)[O-] ZINC001606414966 1170191644 /nfs/dbraw/zinc/19/16/44/1170191644.db2.gz APFPTMATQHYVIL-JHJVBQTASA-N -1 1 320.345 0.327 20 0 DCADMM NC(=O)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001606421571 1170193941 /nfs/dbraw/zinc/19/39/41/1170193941.db2.gz OIVGXUPQAHRPQI-UHFFFAOYSA-N -1 1 308.733 0.116 20 0 DCADMM NC(=O)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC001606421571 1170193943 /nfs/dbraw/zinc/19/39/43/1170193943.db2.gz OIVGXUPQAHRPQI-UHFFFAOYSA-N -1 1 308.733 0.116 20 0 DCADMM COC(=O)[C@H]1CN(C)CCN([C@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001606425394 1170196109 /nfs/dbraw/zinc/19/61/09/1170196109.db2.gz IOCVTJJRVJWLQR-ZJUUUORDSA-N -1 1 311.338 0.470 20 0 DCADMM NC(=O)c1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001606427710 1170197140 /nfs/dbraw/zinc/19/71/40/1170197140.db2.gz AVPVSWSWENSJJL-UHFFFAOYSA-N -1 1 323.316 0.291 20 0 DCADMM NC(=O)c1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001606427710 1170197142 /nfs/dbraw/zinc/19/71/42/1170197142.db2.gz AVPVSWSWENSJJL-UHFFFAOYSA-N -1 1 323.316 0.291 20 0 DCADMM COC(=O)C[C@](C)(NCCC(=O)NCC(=O)[O-])c1cccnc1 ZINC001606440571 1170202832 /nfs/dbraw/zinc/20/28/32/1170202832.db2.gz MQCKNPOKLNXERV-HNNXBMFYSA-N -1 1 323.349 0.040 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(OC(F)F)cc1 ZINC001606446652 1170206346 /nfs/dbraw/zinc/20/63/46/1170206346.db2.gz VZONMLFOLIEPIV-UHFFFAOYSA-N -1 1 321.247 0.935 20 0 DCADMM COC(=O)Cc1occc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001606483623 1170218550 /nfs/dbraw/zinc/21/85/50/1170218550.db2.gz JIXLXMWJVJIHGX-JTQLQIEISA-N -1 1 324.333 0.084 20 0 DCADMM O=C(CC1CC(F)(F)C1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001606494586 1170219617 /nfs/dbraw/zinc/21/96/17/1170219617.db2.gz KJZITAPNLWFTRI-UHFFFAOYSA-N -1 1 312.284 0.010 20 0 DCADMM O=C(CC1CC1)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001606493192 1170219969 /nfs/dbraw/zinc/21/99/69/1170219969.db2.gz HZDCASLIRYJELX-OWOJBTEDSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(CC1CC1)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001606493192 1170219972 /nfs/dbraw/zinc/21/99/72/1170219972.db2.gz HZDCASLIRYJELX-OWOJBTEDSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(C[C@H]1COC(=O)C1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606507331 1170222924 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DRHFAKUSAYQKGR-QWHCGFSZSA-N -1 1 323.393 0.643 20 0 DCADMM O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)C1CC=CC1 ZINC001085155591 758249539 /nfs/dbraw/zinc/24/95/39/758249539.db2.gz BNVYTNPRWWNWBN-VXGBXAGGSA-N -1 1 305.382 0.994 20 0 DCADMM O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)c1cc(F)c[nH]1 ZINC001085277122 758795952 /nfs/dbraw/zinc/79/59/52/758795952.db2.gz SCLNHYYLPRVEJM-NXEZZACHSA-N -1 1 322.344 0.808 20 0 DCADMM O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)c1cccnn1 ZINC001085371455 758839461 /nfs/dbraw/zinc/83/94/61/758839461.db2.gz QFZRXIGLWYOMDJ-NXEZZACHSA-N -1 1 317.353 0.131 20 0 DCADMM O=C([C@@H]1CCc2cncn2C1)N1CCC(c2nn[n-]n2)CC1 ZINC000827763007 758883684 /nfs/dbraw/zinc/88/36/84/758883684.db2.gz BIEXLNOYNRSLDB-LLVKDONJSA-N -1 1 301.354 0.365 20 0 DCADMM O=C([C@@H]1OCCc2ccccc21)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000827967923 758903790 /nfs/dbraw/zinc/90/37/90/758903790.db2.gz QFSQRDNCBIYCLO-CHWSQXEVSA-N -1 1 315.333 0.414 20 0 DCADMM CN(C[C@@H]1CCN1CCn1cncn1)C(=O)c1ncccc1[O-] 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ZINC001573433808 948205650 /nfs/dbraw/zinc/20/56/50/948205650.db2.gz NVVYHVQQIYFIIC-KOLCDFICSA-N -1 1 316.369 0.634 20 0 DCADMM CC(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573435186 948225979 /nfs/dbraw/zinc/22/59/79/948225979.db2.gz ZYZSAGNPGYBNKT-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CC(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573435186 948225986 /nfs/dbraw/zinc/22/59/86/948225986.db2.gz ZYZSAGNPGYBNKT-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573439963 948259604 /nfs/dbraw/zinc/25/96/04/948259604.db2.gz XBFHYSFSECGZOW-KWQFWETISA-N -1 1 316.369 0.634 20 0 DCADMM CC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573439963 948259614 /nfs/dbraw/zinc/25/96/14/948259614.db2.gz XBFHYSFSECGZOW-KWQFWETISA-N -1 1 316.369 0.634 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1cnon1 ZINC001487754557 948263837 /nfs/dbraw/zinc/26/38/37/948263837.db2.gz AVSHVLTXKLYVDX-QMMMGPOBSA-N -1 1 305.294 0.061 20 0 DCADMM CC(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573441819 948276298 /nfs/dbraw/zinc/27/62/98/948276298.db2.gz NSKUJBFSBRKLPR-NSHDSACASA-N -1 1 316.369 0.494 20 0 DCADMM C=C/C(C)=C\CC(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001487976586 948398322 /nfs/dbraw/zinc/39/83/22/948398322.db2.gz JLWBXLIGIIZTHI-DSDFTUOUSA-N -1 1 319.361 0.517 20 0 DCADMM CC[C@H](C)CCC(=O)N[C@@H](CO)CNC(=O)c1ncccc1[O-] ZINC001487979074 948401134 /nfs/dbraw/zinc/40/11/34/948401134.db2.gz VCCIYWXIWJKZIW-NWDGAFQWSA-N -1 1 323.393 0.820 20 0 DCADMM O=C(Cc1cnn2c1CCCC2)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548762223 1013088489 /nfs/dbraw/zinc/08/84/89/1013088489.db2.gz MWRFBHRWFLGCJM-SNVBAGLBSA-N -1 1 301.354 0.291 20 0 DCADMM CCC(C)(C)CC(=O)NC[C@@H](CO)NC(=O)c1ncccc1[O-] ZINC001488003463 948469299 /nfs/dbraw/zinc/46/92/99/948469299.db2.gz FRNYBAQOAFMSCT-NSHDSACASA-N -1 1 323.393 0.820 20 0 DCADMM COC(=O)c1oc(S(=O)(=O)[N-]CCN2CC=CC2)cc1C ZINC001327547953 948547365 /nfs/dbraw/zinc/54/73/65/948547365.db2.gz 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ZINC001570918628 948576250 /nfs/dbraw/zinc/57/62/50/948576250.db2.gz HKQNLAMAUZIHOQ-KWQFWETISA-N -1 1 314.353 0.326 20 0 DCADMM O=C(CC1CC1)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001570918586 948576481 /nfs/dbraw/zinc/57/64/81/948576481.db2.gz HDDKNWMGCICVOE-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(CC1CC1)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001570918586 948576485 /nfs/dbraw/zinc/57/64/85/948576485.db2.gz HDDKNWMGCICVOE-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM CC(=O)CCCC(=O)N1C[C@H](NC(=O)c2cnn[nH]2)C[C@@H]1C ZINC001488166026 948581981 /nfs/dbraw/zinc/58/19/81/948581981.db2.gz OKEJKCZIUVXTIW-GXSJLCMTSA-N -1 1 307.354 0.283 20 0 DCADMM CC(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001570919633 948591464 /nfs/dbraw/zinc/59/14/64/948591464.db2.gz XMFFBJOBSQWQNJ-BXUZGUMPSA-N -1 1 314.353 0.294 20 0 DCADMM CC(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001570919633 948591477 /nfs/dbraw/zinc/59/14/77/948591477.db2.gz XMFFBJOBSQWQNJ-BXUZGUMPSA-N -1 1 314.353 0.294 20 0 DCADMM COc1nn(C)cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001570920377 948598025 /nfs/dbraw/zinc/59/80/25/948598025.db2.gz LSCPTCJOXSEDNN-UHFFFAOYSA-N -1 1 314.309 0.280 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001570920845 948609193 /nfs/dbraw/zinc/60/91/93/948609193.db2.gz DUBZYALBYITWQG-UWVGGRQHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001570920845 948609199 /nfs/dbraw/zinc/60/91/99/948609199.db2.gz DUBZYALBYITWQG-UWVGGRQHSA-N -1 1 316.369 0.906 20 0 DCADMM CC(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001570921101 948614122 /nfs/dbraw/zinc/61/41/22/948614122.db2.gz NSKUJBFSBRKLPR-LLVKDONJSA-N -1 1 316.369 0.494 20 0 DCADMM CC(C)[C@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001570921092 948614396 /nfs/dbraw/zinc/61/43/96/948614396.db2.gz NLZKSIOFUHVKQG-ZETCQYMHSA-N -1 1 317.396 0.223 20 0 DCADMM CC(C)[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001570921092 948614399 /nfs/dbraw/zinc/61/43/99/948614399.db2.gz NLZKSIOFUHVKQG-ZETCQYMHSA-N -1 1 317.396 0.223 20 0 DCADMM COc1cc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)[nH]n1 ZINC001570921862 948629690 /nfs/dbraw/zinc/62/96/90/948629690.db2.gz BFZUPNLPRHPJBR-UHFFFAOYSA-N -1 1 321.326 0.377 20 0 DCADMM COc1cc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)[nH]n1 ZINC001570921862 948629696 /nfs/dbraw/zinc/62/96/96/948629696.db2.gz BFZUPNLPRHPJBR-UHFFFAOYSA-N -1 1 321.326 0.377 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)C1CC1 ZINC001573742591 948662325 /nfs/dbraw/zinc/66/23/25/948662325.db2.gz MYRKSOBPUDKNDO-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)C1CC1 ZINC001573742591 948662329 /nfs/dbraw/zinc/66/23/29/948662329.db2.gz MYRKSOBPUDKNDO-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]C1CS(=O)(=O)C1 ZINC000380068200 948723010 /nfs/dbraw/zinc/72/30/10/948723010.db2.gz JNNYZEXXEICEMG-UHFFFAOYSA-N -1 1 316.813 0.180 20 0 DCADMM CNc1cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc(Cl)n1 ZINC001263886320 948799302 /nfs/dbraw/zinc/79/93/02/948799302.db2.gz GEHLCLIQUZVJGA-SSDOTTSWSA-N -1 1 307.745 0.920 20 0 DCADMM CC[C@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1c(C)nn(C)c1C ZINC001589567783 948884372 /nfs/dbraw/zinc/88/43/72/948884372.db2.gz IEAINRODOKHDCM-NWDGAFQWSA-N -1 1 308.382 0.763 20 0 DCADMM COCC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001488493918 948901119 /nfs/dbraw/zinc/90/11/19/948901119.db2.gz ONYIDUCNACZVGB-LLVKDONJSA-N -1 1 309.366 0.694 20 0 DCADMM CCN(CC)C(=O)CCCC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001364383537 949158599 /nfs/dbraw/zinc/15/85/99/949158599.db2.gz PINLEDQKQAZBJS-NSHDSACASA-N -1 1 324.385 0.138 20 0 DCADMM CC(C)CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574116993 949443445 /nfs/dbraw/zinc/44/34/45/949443445.db2.gz IWXOPIVPFOZQTD-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CC(C)CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574116993 949443458 /nfs/dbraw/zinc/44/34/58/949443458.db2.gz IWXOPIVPFOZQTD-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)C[C@@H](OC)C(F)(F)F)n[n-]1 ZINC001364504971 949444572 /nfs/dbraw/zinc/44/45/72/949444572.db2.gz JFNVVGODUIXHJY-ZCFIWIBFSA-N -1 1 324.259 0.565 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)C[C@@H](OC)C(F)(F)F)n1 ZINC001364504971 949444587 /nfs/dbraw/zinc/44/45/87/949444587.db2.gz JFNVVGODUIXHJY-ZCFIWIBFSA-N -1 1 324.259 0.565 20 0 DCADMM CC(C)CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574117331 949460416 /nfs/dbraw/zinc/46/04/16/949460416.db2.gz RDQGNYVDQISUDG-JTQLQIEISA-N -1 1 318.385 0.644 20 0 DCADMM CC(C)CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574117331 949460421 /nfs/dbraw/zinc/46/04/21/949460421.db2.gz RDQGNYVDQISUDG-JTQLQIEISA-N -1 1 318.385 0.644 20 0 DCADMM COCc1nn(C)cc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001364528963 949492121 /nfs/dbraw/zinc/49/21/21/949492121.db2.gz OXOSBARDSCEEEG-UHFFFAOYSA-N -1 1 305.342 0.099 20 0 DCADMM O=C(CC1(O)CCCC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001364551052 949540394 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COCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001370827669 966518550 /nfs/dbraw/zinc/51/85/50/966518550.db2.gz WKJNNGLAZQCNGN-MNOVXSKESA-N -1 1 307.350 0.543 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)C1(C)CC(F)(F)C1 ZINC001447939214 1013662244 /nfs/dbraw/zinc/66/22/44/1013662244.db2.gz WNLQSCYNKYOKEO-SFYZADRCSA-N -1 1 317.340 0.929 20 0 DCADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1ncc[nH]1 ZINC001381961551 966819399 /nfs/dbraw/zinc/81/93/99/966819399.db2.gz JUBZRTXPAHREDT-SECBINFHSA-N -1 1 303.322 0.401 20 0 DCADMM C[C@H](CNC(=O)c1ncc(F)cc1F)NCc1n[nH]c(=O)[n-]1 ZINC001371244472 966843019 /nfs/dbraw/zinc/84/30/19/966843019.db2.gz VEVTZEJJOIJTFZ-ZCFIWIBFSA-N -1 1 312.280 0.092 20 0 DCADMM CN(C(=O)[C@H]1CC1(F)F)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001382017006 966869602 /nfs/dbraw/zinc/86/96/02/966869602.db2.gz UJIOYEPUDRLSGD-RKDXNWHRSA-N -1 1 315.324 0.492 20 0 DCADMM Cc1ccn([C@@H](C)CC(=O)NC[C@@H](C)NCc2n[nH]c(=O)[n-]2)n1 ZINC001371302797 966882848 /nfs/dbraw/zinc/88/28/48/966882848.db2.gz AQUUYMWDSPWFHH-MNOVXSKESA-N -1 1 321.385 0.261 20 0 DCADMM CCN1C[C@H](C[N-]S(=O)(=O)c2cc(OC)ns2)CC1=O ZINC001475465347 1017111986 /nfs/dbraw/zinc/11/19/86/1017111986.db2.gz SOFCFQHNOFOGFG-QMMMGPOBSA-N -1 1 319.408 0.298 20 0 DCADMM CC(C)C1(C(=O)N[C@H](CO)CNC(=O)c2ncccc2[O-])CC1 ZINC001382403000 967333904 /nfs/dbraw/zinc/33/39/04/967333904.db2.gz UVJCGZAPMXXMKN-NSHDSACASA-N -1 1 321.377 0.430 20 0 DCADMM CCC[C@H](CC)C(=O)NC[C@H](CO)NC(=O)c1ncccc1[O-] ZINC001382577487 967512682 /nfs/dbraw/zinc/51/26/82/967512682.db2.gz IUBSTODWYPONOT-NWDGAFQWSA-N -1 1 323.393 0.820 20 0 DCADMM COCCC(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001372081667 967631932 /nfs/dbraw/zinc/63/19/32/967631932.db2.gz PCFVYLKZGZCIKE-LLVKDONJSA-N -1 1 307.350 0.497 20 0 DCADMM CN(CCNC(=O)[C@H]1CCC(C)(C)C1)Cc1nc(=O)n(C)[n-]1 ZINC001372117270 967661607 /nfs/dbraw/zinc/66/16/07/967661607.db2.gz UTKZDZDFCVZUMV-NSHDSACASA-N -1 1 309.414 0.483 20 0 DCADMM Cc1cc(C(=O)NC[C@H](C)N(C)C(=O)c2ncccc2[O-])no1 ZINC001382902629 967737079 /nfs/dbraw/zinc/73/70/79/967737079.db2.gz CNYZOBLURWJHJT-VIFPVBQESA-N -1 1 318.333 0.974 20 0 DCADMM Cc1cc(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2O)n[nH]1 ZINC001382955340 967794179 /nfs/dbraw/zinc/79/41/79/967794179.db2.gz MSCJEGPAZWXXHY-SNVBAGLBSA-N -1 1 317.349 0.709 20 0 DCADMM Cc1cc(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])[nH]n1 ZINC001382955340 967794186 /nfs/dbraw/zinc/79/41/86/967794186.db2.gz MSCJEGPAZWXXHY-SNVBAGLBSA-N -1 1 317.349 0.709 20 0 DCADMM Cc1cc(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])n[nH]1 ZINC001382955340 967794195 /nfs/dbraw/zinc/79/41/95/967794195.db2.gz MSCJEGPAZWXXHY-SNVBAGLBSA-N -1 1 317.349 0.709 20 0 DCADMM COC[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001382961769 967799019 /nfs/dbraw/zinc/79/90/19/967799019.db2.gz VWLDSCDDXMGDAF-WDEREUQCSA-N -1 1 309.366 0.646 20 0 DCADMM CCNC(=O)CN1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001372514218 968072219 /nfs/dbraw/zinc/07/22/19/968072219.db2.gz OYYDIQPYOOLUFO-NSHDSACASA-N -1 1 306.366 0.118 20 0 DCADMM CO[C@@H](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC001372707838 968277690 /nfs/dbraw/zinc/27/76/90/968277690.db2.gz OKPXQNBKVAMUJR-KZWBYHQPSA-N -1 1 319.361 0.399 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)Cc1cncs1 ZINC001372829410 968432138 /nfs/dbraw/zinc/43/21/38/968432138.db2.gz BOBIIUOOMGXEPR-SECBINFHSA-N -1 1 320.374 0.721 20 0 DCADMM CCOC1CC(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])C1 ZINC001372833268 968437352 /nfs/dbraw/zinc/43/73/52/968437352.db2.gz JYWVOIWXOCXGGX-UNXYVOJBSA-N -1 1 321.377 0.837 20 0 DCADMM Cc1ncoc1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001416883723 968845536 /nfs/dbraw/zinc/84/55/36/968845536.db2.gz QOGHRFHCBMEMJR-QMMMGPOBSA-N -1 1 304.306 0.632 20 0 DCADMM COC[C@H](C)C(=O)NCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001430971770 1013834119 /nfs/dbraw/zinc/83/41/19/1013834119.db2.gz NAGGCPUDMJBNHH-WDEREUQCSA-N -1 1 309.366 0.694 20 0 DCADMM COC[C@@H](C)C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001430981246 1013845186 /nfs/dbraw/zinc/84/51/86/1013845186.db2.gz KPPTXUUVZNYTFM-WDEREUQCSA-N -1 1 309.366 0.552 20 0 DCADMM CN(CCNC(=O)Cc1ccoc1)C(=O)c1ncccc1[O-] ZINC001373411835 969059930 /nfs/dbraw/zinc/05/99/30/969059930.db2.gz BXJLWPMXUQVEPF-UHFFFAOYSA-N -1 1 303.318 0.811 20 0 DCADMM C[C@H](CCNC(=O)Cc1cnoc1)NC(=O)c1ncccc1[O-] ZINC001431071681 1013896416 /nfs/dbraw/zinc/89/64/16/1013896416.db2.gz RDXWLZSIJWBGQW-SNVBAGLBSA-N -1 1 318.333 0.643 20 0 DCADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CCCO1 ZINC001448501630 1013934683 /nfs/dbraw/zinc/93/46/83/1013934683.db2.gz KVDBDAAFUHSDSJ-PWSUYJOCSA-N -1 1 307.350 0.591 20 0 DCADMM CC(C)[C@H](CNC(=O)CC(C)(C)O)NC(=O)c1ncccc1[O-] ZINC001431222834 1013954851 /nfs/dbraw/zinc/95/48/51/1013954851.db2.gz MOCSDZHVAAWIBH-NSHDSACASA-N -1 1 323.393 0.819 20 0 DCADMM CN(CCNC(=O)c1cncc(F)c1)C(=O)c1ncccc1[O-] ZINC001448800430 1014045258 /nfs/dbraw/zinc/04/52/58/1014045258.db2.gz XTMCACSATYBFEW-UHFFFAOYSA-N -1 1 318.308 0.823 20 0 DCADMM O=C([O-])Cc1sccc1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000394701705 972742677 /nfs/dbraw/zinc/74/26/77/972742677.db2.gz ZFCKZJQOODTOOL-LLVKDONJSA-N -1 1 323.418 0.495 20 0 DCADMM Cc1cc(N2CC[C@H](N3C[C@@H](C)C[C@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC001605187244 972904965 /nfs/dbraw/zinc/90/49/65/972904965.db2.gz PSLPJQICDSURKZ-DRZSPHRISA-N -1 1 320.393 0.876 20 0 DCADMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000397039360 972962109 /nfs/dbraw/zinc/96/21/09/972962109.db2.gz PZBUJDLZAZINHO-MELADBBJSA-N -1 1 310.394 0.811 20 0 DCADMM Cc1cc2[nH]ncc2cc1NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001605224677 972976435 /nfs/dbraw/zinc/97/64/35/972976435.db2.gz UPJPVFZMTOZZER-UHFFFAOYSA-N -1 1 300.278 0.800 20 0 DCADMM Cc1cccn2c1ncc(-c1nc([C@@H](N)CC(=O)[O-])no1)c2=O ZINC001605357351 973276678 /nfs/dbraw/zinc/27/66/78/973276678.db2.gz YQHMUIGAZVEZMJ-VIFPVBQESA-N -1 1 315.289 0.527 20 0 DCADMM O=C([O-])[C@@H]1C[C@H](O)CN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000401826794 973425097 /nfs/dbraw/zinc/42/50/97/973425097.db2.gz MGRIEACGBQAKCO-KBXIAJHMSA-N -1 1 324.421 0.935 20 0 DCADMM CCN(Cc1ccccc1)C(=O)CN1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC000401858569 973457069 /nfs/dbraw/zinc/45/70/69/973457069.db2.gz AUMBZXWALSXPSU-GJZGRUSLSA-N -1 1 320.389 0.803 20 0 DCADMM COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC001604533317 973490477 /nfs/dbraw/zinc/49/04/77/973490477.db2.gz KKRQODPYJFCTSD-MEBBXXQBSA-N -1 1 322.365 0.400 20 0 DCADMM COC[C@@]1(C(=O)[O-])CC[N@H+](CCC[N-]C(=O)C(F)(F)F)C1 ZINC001604541312 973517534 /nfs/dbraw/zinc/51/75/34/973517534.db2.gz COFGLLIGQXGAEU-LLVKDONJSA-N -1 1 312.288 0.478 20 0 DCADMM COC[C@@]1(C(=O)[O-])CC[N@@H+](CCC[N-]C(=O)C(F)(F)F)C1 ZINC001604541312 973517540 /nfs/dbraw/zinc/51/75/40/973517540.db2.gz COFGLLIGQXGAEU-LLVKDONJSA-N -1 1 312.288 0.478 20 0 DCADMM Cc1ccc(CNC(=O)CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1 ZINC000401960823 973565835 /nfs/dbraw/zinc/56/58/35/973565835.db2.gz WDZSITDWPBYFJX-ZIAGYGMSSA-N -1 1 306.362 0.379 20 0 DCADMM CCC(=O)N1CCC[C@@H](C(=O)NC(CC)(CC)c2nn[n-]n2)C1 ZINC001449015912 1014134735 /nfs/dbraw/zinc/13/47/35/1014134735.db2.gz OEPIUAWLVLCNMN-LLVKDONJSA-N -1 1 322.413 0.980 20 0 DCADMM CCC(CC)(NC(=O)CCn1c(C)csc1=O)c1nn[n-]n1 ZINC001449020198 1014136957 /nfs/dbraw/zinc/13/69/57/1014136957.db2.gz WCCHGPMQCVITPI-UHFFFAOYSA-N -1 1 324.410 0.953 20 0 DCADMM CCC(CC)(NC(=O)c1ccc2nc[nH]c2n1)c1nn[n-]n1 ZINC001449018438 1014137824 /nfs/dbraw/zinc/13/78/24/1014137824.db2.gz SZNPAYMHPBJAAY-UHFFFAOYSA-N -1 1 300.326 0.916 20 0 DCADMM Cn1ncc(C(=O)OC(C)(C)C)c1CNC[C@](C)(O)C(=O)[O-] ZINC001605559335 973790546 /nfs/dbraw/zinc/79/05/46/973790546.db2.gz PYSSXEROYJGKIE-AWEZNQCLSA-N -1 1 313.354 0.301 20 0 DCADMM CON(C(=O)c1[nH]nc(C)c1Br)[C@H](C)C(=O)[O-] ZINC001604660751 973823114 /nfs/dbraw/zinc/82/31/14/973823114.db2.gz GNWXDVSGEWOCTG-RXMQYKEDSA-N -1 1 306.116 0.957 20 0 DCADMM CCN(C(=O)c1nc[nH]c(=O)c1Br)[C@@H](C)C(=O)[O-] ZINC001603725817 974168664 /nfs/dbraw/zinc/16/86/64/974168664.db2.gz YPACDXWXKJFKJD-YFKPBYRVSA-N -1 1 318.127 0.880 20 0 DCADMM CCOC(=O)C[C@@H](O)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001603793578 974258210 /nfs/dbraw/zinc/25/82/10/974258210.db2.gz JXJXNLCDHTXLLO-TZMCWYRMSA-N -1 1 307.346 0.985 20 0 DCADMM COc1cccc(NC(=O)CN2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001549285559 1014194654 /nfs/dbraw/zinc/19/46/54/1014194654.db2.gz ODUKUQSGPQOGLX-BZNIZROVSA-N -1 1 320.345 0.667 20 0 DCADMM COc1cccc(NC(=O)CN2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001549285561 1014194984 /nfs/dbraw/zinc/19/49/84/1014194984.db2.gz ODUKUQSGPQOGLX-ZBEGNZNMSA-N -1 1 320.345 0.667 20 0 DCADMM CO[C@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001549377442 1014234046 /nfs/dbraw/zinc/23/40/46/1014234046.db2.gz CTSJFMMZPVCTHU-WPRPVWTQSA-N -1 1 306.326 0.154 20 0 DCADMM CC(C)OC(=O)[C@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001591678011 975461020 /nfs/dbraw/zinc/46/10/20/975461020.db2.gz JHDOOBUGKGALLD-SSDOTTSWSA-N -1 1 320.323 0.239 20 0 DCADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001591704431 975561412 /nfs/dbraw/zinc/56/14/12/975561412.db2.gz MXIDROAILYBVKP-MFKMUULPSA-N -1 1 309.366 0.851 20 0 DCADMM CC(C)O[C@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001591737072 975731446 /nfs/dbraw/zinc/73/14/46/975731446.db2.gz FCDWTARSWPWJFN-OCAPTIKFSA-N -1 1 304.324 0.607 20 0 DCADMM CC(C)S(=O)(=O)CCN[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001591818274 976056114 /nfs/dbraw/zinc/05/61/14/976056114.db2.gz CDBJSMTWTGCASL-SNVBAGLBSA-N -1 1 315.395 0.829 20 0 DCADMM CC(C)[C@H](NC(=O)CN1CC[C@@H]2CSC[C@H]2C1)C(=O)[O-] ZINC001591868280 976190305 /nfs/dbraw/zinc/19/03/05/976190305.db2.gz VJSWQLMDKKJMFC-WZRBSPASSA-N -1 1 300.424 0.897 20 0 DCADMM CC(C)[C@H](NC(=O)CN1CCC[C@@H](Cn2ccnn2)C1)C(=O)[O-] ZINC001591868313 976191369 /nfs/dbraw/zinc/19/13/69/976191369.db2.gz VXKDQIDYSCLUIT-OCCSQVGLSA-N -1 1 323.397 0.216 20 0 DCADMM CN(CCNC(=O)[C@@]1(C)CCOC1)C(=O)c1ncccc1[O-] ZINC001528568575 1014342828 /nfs/dbraw/zinc/34/28/28/1014342828.db2.gz ZCQYDNAPEMJPKN-HNNXBMFYSA-N -1 1 307.350 0.402 20 0 DCADMM CC(C)c1nccc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001592037644 976756713 /nfs/dbraw/zinc/75/67/13/976756713.db2.gz XJEAQFOZHQPAAO-MRXNPFEDSA-N -1 1 320.393 0.966 20 0 DCADMM CC(C)n1cc(CNCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nn1 ZINC001592126877 976952163 /nfs/dbraw/zinc/95/21/63/976952163.db2.gz MBIVGFBOYNIDIO-RYUDHWBXSA-N -1 1 309.370 0.176 20 0 DCADMM C[C@@H](C1CC1)N(C(=O)CN1CCN(CC(=O)[O-])CC1)C1CC1 ZINC001592178037 977078039 /nfs/dbraw/zinc/07/80/39/977078039.db2.gz AEYSDPFZGFHEHH-LBPRGKRZSA-N -1 1 309.410 0.478 20 0 DCADMM CC(C)(C)[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cncs1 ZINC001449283680 1014379363 /nfs/dbraw/zinc/37/93/63/1014379363.db2.gz CZKKMCNEDIQOFV-VIFPVBQESA-N -1 1 324.410 0.901 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCCC(=O)N2C)CC1 ZINC001592406862 977987605 /nfs/dbraw/zinc/98/76/05/977987605.db2.gz YGXGBNPLCAEOGB-VXGBXAGGSA-N -1 1 311.382 0.005 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(N)cc2O)CC1 ZINC001592415448 978009638 /nfs/dbraw/zinc/00/96/38/978009638.db2.gz AQZJMIOMUOXTSU-SNVBAGLBSA-N -1 1 307.350 0.595 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CCCN1C)Nc1ncc(C(=O)[O-])cn1 ZINC001592648039 978630076 /nfs/dbraw/zinc/63/00/76/978630076.db2.gz VREZCQVVFHWTOD-ONGXEEELSA-N -1 1 307.354 0.186 20 0 DCADMM C[C@@H](CNC(=O)Cc1cnc[nH]1)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592655183 978638544 /nfs/dbraw/zinc/63/85/44/978638544.db2.gz PDIPMFRVWHTWIK-VIFPVBQESA-N -1 1 318.337 0.082 20 0 DCADMM C[C@@H](CNC(=O)c1ccoc1CC(=O)[O-])N1CCN(C)CC1 ZINC001592701820 979163307 /nfs/dbraw/zinc/16/33/07/979163307.db2.gz RTPBPKJHFHCHRG-NSHDSACASA-N -1 1 309.366 0.272 20 0 DCADMM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])cn1C)N1CCCC1 ZINC001592716379 979216555 /nfs/dbraw/zinc/21/65/55/979216555.db2.gz SRYCEDQAULRKEI-SNVBAGLBSA-N -1 1 315.395 0.486 20 0 DCADMM CC(C)OCC(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001523167137 1014593403 /nfs/dbraw/zinc/59/34/03/1014593403.db2.gz 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DCADMM CC(=O)N(CCO)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001384771669 985802990 /nfs/dbraw/zinc/80/29/90/985802990.db2.gz XUXBYXMBMJSCPG-UHFFFAOYSA-N -1 1 307.350 0.233 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1CN(CC(F)F)C1 ZINC001594513911 985811209 /nfs/dbraw/zinc/81/12/09/985811209.db2.gz ATVGKDZHNPGNMM-JTQLQIEISA-N -1 1 319.352 0.191 20 0 DCADMM CC(=O)c1[nH]c(CC(=O)NCCc2nc[nH]n2)c(C(=O)[O-])c1C ZINC001589243335 985836109 /nfs/dbraw/zinc/83/61/09/985836109.db2.gz JWGTZKXNGNUJKP-UHFFFAOYSA-N -1 1 319.321 0.243 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC001384828038 985870919 /nfs/dbraw/zinc/87/09/19/985870919.db2.gz RVKYWBFIKRJFNZ-DMDPSCGWSA-N -1 1 321.377 0.789 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1CCCOCC1 ZINC001594517039 985927052 /nfs/dbraw/zinc/92/70/52/985927052.db2.gz YQLDLZYEMOARSU-QWHCGFSZSA-N -1 1 313.398 0.746 20 0 DCADMM COCC(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385437063 986348439 /nfs/dbraw/zinc/34/84/39/986348439.db2.gz 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987360506 /nfs/dbraw/zinc/36/05/06/987360506.db2.gz OIZAVZVLWRDCEA-SSDOTTSWSA-N -1 1 324.724 0.977 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@H]1CC1(F)F ZINC001532199859 1015305120 /nfs/dbraw/zinc/30/51/20/1015305120.db2.gz VEPRSRWHDFMUFS-RKDXNWHRSA-N -1 1 313.304 0.925 20 0 DCADMM Cc1nc[nH]c1C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001386853488 987453646 /nfs/dbraw/zinc/45/36/46/987453646.db2.gz UGJWERSRDTUAKC-UHFFFAOYSA-N -1 1 303.322 0.321 20 0 DCADMM CCc1[nH]c(C(=O)NC[C@H](O)c2cnc[nH]2)c(C)c1C(=O)[O-] ZINC001597366201 987535545 /nfs/dbraw/zinc/53/55/45/987535545.db2.gz BCUBBJXLXZCDAO-JTQLQIEISA-N -1 1 306.322 0.770 20 0 DCADMM CC(C)(C)OC(=O)[C@@]1(C)CCCN1CCC(=O)NCC(=O)[O-] ZINC001589855344 988397057 /nfs/dbraw/zinc/39/70/57/988397057.db2.gz RKVJETOASWJRDO-OAHLLOKOSA-N -1 1 314.382 0.774 20 0 DCADMM CC[C@H](OC)C(=O)NCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001388616674 988445771 /nfs/dbraw/zinc/44/57/71/988445771.db2.gz VKVYXSYXDGOSIJ-ZDUSSCGKSA-N -1 1 321.377 0.933 20 0 DCADMM CCc1nc([C@H](C)NC(=O)CCCn2ccc(C(=O)[O-])n2)n[nH]1 ZINC001597651815 988694387 /nfs/dbraw/zinc/69/43/87/988694387.db2.gz CSBBDDJEKIHPSG-VIFPVBQESA-N -1 1 320.353 0.919 20 0 DCADMM CC(C)c1nc(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n[nH]1 ZINC001552399295 1015417145 /nfs/dbraw/zinc/41/71/45/1015417145.db2.gz ONQOPGLHULHYDY-XPTSAGLGSA-N -1 1 323.353 0.171 20 0 DCADMM COC[C@@H](C)[C@@H](C)C(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC001389177366 988954836 /nfs/dbraw/zinc/95/48/36/988954836.db2.gz SQIGCHIJJOEDSL-GHMZBOCLSA-N -1 1 321.377 0.646 20 0 DCADMM CCn1cc(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])cn1 ZINC001389310953 989102348 /nfs/dbraw/zinc/10/23/48/989102348.db2.gz QEOOLWCKXMPTKE-JTQLQIEISA-N -1 1 317.349 0.552 20 0 DCADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)CCN(C)C ZINC001597773323 989247804 /nfs/dbraw/zinc/24/78/04/989247804.db2.gz WUIYQAHRGKOBHF-UHFFFAOYSA-N -1 1 304.368 0.722 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H](CNC(=O)C3(C)CCC3)C2)nc1=O ZINC001390051184 989777629 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C[C@@H](CNC(=O)c1cccnc1)CNC(=O)c1ncccc1[O-] ZINC001391149095 990620865 /nfs/dbraw/zinc/62/08/65/990620865.db2.gz XQVKNRXDFLEZCL-NSHDSACASA-N -1 1 314.345 0.978 20 0 DCADMM CC[C@@H](C)[C@@H](C)C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC001391180301 990645691 /nfs/dbraw/zinc/64/56/91/990645691.db2.gz BUASMLZJWJBPAW-VXGBXAGGSA-N -1 1 323.441 0.871 20 0 DCADMM CN(C)[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC001598162879 990665530 /nfs/dbraw/zinc/66/55/30/990665530.db2.gz MKFMSXOMFRWHGV-UONOGXRCSA-N -1 1 316.361 0.825 20 0 DCADMM CC(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1 ZINC001391243644 990696214 /nfs/dbraw/zinc/69/62/14/990696214.db2.gz LPBWZCWQPHUTBC-BETUJISGSA-N -1 1 321.425 0.720 20 0 DCADMM O=C(CCC(F)F)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391308269 990736434 /nfs/dbraw/zinc/73/64/34/990736434.db2.gz KCBDIVDWLVZXCO-VIFPVBQESA-N -1 1 317.340 0.884 20 0 DCADMM CO[C@@]12CCC[C@@]1(C(=O)N1CCC(c3nn[n-]n3)CC1)CCO2 ZINC001552991123 1015584970 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CN([C@@H]1CN2CCC1CC2)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598374389 991553501 /nfs/dbraw/zinc/55/35/01/991553501.db2.gz ALJWBRQOYKEGAW-LLVKDONJSA-N -1 1 304.412 0.453 20 0 DCADMM Cc1nc(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C(C)C)c(C)o1 ZINC001392241200 991643396 /nfs/dbraw/zinc/64/33/96/991643396.db2.gz KUCFCXPTTUVUSI-JTQLQIEISA-N -1 1 322.369 0.659 20 0 DCADMM CN(CC(=O)NCC1(C(=O)[O-])CCCCC1)[C@@H]1CCC[C@H]1O ZINC001598392615 991648572 /nfs/dbraw/zinc/64/85/72/991648572.db2.gz SYTIBYQDJCPFJV-CHWSQXEVSA-N -1 1 312.410 0.983 20 0 DCADMM CN(CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001598397266 991669537 /nfs/dbraw/zinc/66/95/37/991669537.db2.gz VSGGWXQVNLLVSX-KLPPZKSPSA-N -1 1 305.334 0.519 20 0 DCADMM CN(CCN(C)C(=O)CCC1CCC1)Cc1nc(=O)n(C)[n-]1 ZINC001392272167 991682844 /nfs/dbraw/zinc/68/28/44/991682844.db2.gz NAWAQGGTUXGEMA-UHFFFAOYSA-N -1 1 309.414 0.579 20 0 DCADMM COc1ncccc1CNC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001599737658 991799331 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DCADMM CO[C@H](C)CCC(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001393037026 992642758 /nfs/dbraw/zinc/64/27/58/992642758.db2.gz NHXIAWNUBAQRGH-MNOVXSKESA-N -1 1 311.386 0.406 20 0 DCADMM CS[C@H](C)C(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001393266529 992809743 /nfs/dbraw/zinc/80/97/43/992809743.db2.gz IGEJYQZTFWHHNQ-NXEZZACHSA-N -1 1 309.391 0.869 20 0 DCADMM O=C(NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1)C1CCC1 ZINC001393712676 993193941 /nfs/dbraw/zinc/19/39/41/993193941.db2.gz OWFFIQRBSITHQG-UHFFFAOYSA-N -1 1 309.370 0.065 20 0 DCADMM C[C@@H](NC(=O)Cc1ccsc1)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001393915863 993339490 /nfs/dbraw/zinc/33/94/90/993339490.db2.gz FHACHKBWTDZARL-DTWKUNHWSA-N -1 1 309.395 0.797 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)Cc1ccsc1 ZINC001393915869 993339868 /nfs/dbraw/zinc/33/98/68/993339868.db2.gz FHACHKBWTDZARL-RKDXNWHRSA-N -1 1 309.395 0.797 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC001393930454 993351160 /nfs/dbraw/zinc/35/11/60/993351160.db2.gz VCMXBALYOOAENT-BQBZGAKWSA-N -1 1 312.761 0.788 20 0 DCADMM CCc1ccnc(C(=O)N[C@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001393958543 993373486 /nfs/dbraw/zinc/37/34/86/993373486.db2.gz ZUOCBTXIPVYDGE-NXEZZACHSA-N -1 1 318.381 0.764 20 0 DCADMM CCC[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC001394283064 993593099 /nfs/dbraw/zinc/59/30/99/993593099.db2.gz FUQZHPBAMYBLBH-NWDGAFQWSA-N -1 1 323.441 0.871 20 0 DCADMM C[C@H](CC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1)n1cccc1 ZINC001399638798 993624485 /nfs/dbraw/zinc/62/44/85/993624485.db2.gz RUJDVFKALDACFE-GFCCVEGCSA-N -1 1 320.397 0.109 20 0 DCADMM CCN(CCNC(=O)c1cscc1C)Cc1nc(=O)n(C)[n-]1 ZINC001399687886 993671559 /nfs/dbraw/zinc/67/15/59/993671559.db2.gz JXRWAKNUPTZOQX-UHFFFAOYSA-N -1 1 323.422 0.730 20 0 DCADMM Cc1cnccc1C(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001394481094 993754579 /nfs/dbraw/zinc/75/45/79/993754579.db2.gz GIABOABVVILPTM-JTQLQIEISA-N -1 1 304.354 0.464 20 0 DCADMM CN1CCN(CC[S@@](=O)C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001598618358 993939811 /nfs/dbraw/zinc/93/98/11/993939811.db2.gz BSDWWXPYFOZBTK-LILOVNGRSA-N -1 1 302.318 0.203 20 0 DCADMM Cc1c[nH]c(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001399934608 993951571 /nfs/dbraw/zinc/95/15/71/993951571.db2.gz AZSBRHPTZURYFP-SECBINFHSA-N -1 1 303.322 0.367 20 0 DCADMM COc1ccc2c(c1)OCCN(CCC(=O)NCC(=O)[O-])C2 ZINC001599629809 994200478 /nfs/dbraw/zinc/20/04/78/994200478.db2.gz GJDIVNIKKGSVRV-UHFFFAOYSA-N -1 1 308.334 0.481 20 0 DCADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001394971430 994320945 /nfs/dbraw/zinc/32/09/45/994320945.db2.gz ZMWIGNMACQQWJX-GHMZBOCLSA-N -1 1 321.377 0.715 20 0 DCADMM COc1cccc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c1OC ZINC001599641276 994361962 /nfs/dbraw/zinc/36/19/62/994361962.db2.gz XLTUUNZLOCVAOP-LLVKDONJSA-N -1 1 322.361 0.792 20 0 DCADMM O=C(CC1CCC1)NC[C@@H](CO)NC(=O)c1ncccc1[O-] ZINC001395706130 994910948 /nfs/dbraw/zinc/91/09/48/994910948.db2.gz 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ZINC001464850191 1015957187 /nfs/dbraw/zinc/95/71/87/1015957187.db2.gz PHXKXIQLSVOJJO-VIFPVBQESA-N -1 1 301.228 0.568 20 0 DCADMM CN(C(=O)CC(C)(C)O)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001396785446 995610860 /nfs/dbraw/zinc/61/08/60/995610860.db2.gz SXXFKOBSWZJQBA-LLVKDONJSA-N -1 1 321.377 0.621 20 0 DCADMM C[C@H](Oc1ccc(CN2CCN(C)C[C@@H]2CO)cc1)C(=O)[O-] ZINC001593614890 995826873 /nfs/dbraw/zinc/82/68/73/995826873.db2.gz DEMMPSSDQOJQIF-GXTWGEPZSA-N -1 1 308.378 0.647 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)C1CCC(OC)CC1 ZINC001465110470 1015984401 /nfs/dbraw/zinc/98/44/01/1015984401.db2.gz WBTDREXKICXYGA-UHFFFAOYSA-N -1 1 311.338 0.926 20 0 DCADMM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001598776997 995940974 /nfs/dbraw/zinc/94/09/74/995940974.db2.gz XVQLSPBFXUHDBP-BTQIBKBOSA-N -1 1 321.333 0.378 20 0 DCADMM C[C@H](Oc1ccccc1CN1CCn2c(=O)[nH]nc2C1)C(=O)[O-] ZINC001593644971 995969076 /nfs/dbraw/zinc/96/90/76/995969076.db2.gz GAJGQBVMYIVISZ-JTQLQIEISA-N -1 1 318.333 0.851 20 0 DCADMM COC(=O)[C@H]1CCN(Cc2cccnc2OC)[C@@H](C(=O)[O-])C1 ZINC001598804830 996175222 /nfs/dbraw/zinc/17/52/22/996175222.db2.gz USZPMEWQLAPSBF-CMPLNLGQSA-N -1 1 308.334 0.928 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001598810260 996224939 /nfs/dbraw/zinc/22/49/39/996224939.db2.gz VXKNUXMFKUMPDD-IJLUTSLNSA-N -1 1 306.318 0.019 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598810263 996225144 /nfs/dbraw/zinc/22/51/44/996225144.db2.gz VXKNUXMFKUMPDD-TUAOUCFPSA-N -1 1 306.318 0.019 20 0 DCADMM C[C@H](c1ccccc1)N1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001593713895 996225557 /nfs/dbraw/zinc/22/55/57/996225557.db2.gz PTLRKMJAQWFYKB-CQSZACIVSA-N -1 1 319.405 0.956 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)CC[C@H]1CCOC1 ZINC001397899094 996242887 /nfs/dbraw/zinc/24/28/87/996242887.db2.gz OLRIHAPJDPPIQA-LBPRGKRZSA-N -1 1 321.377 0.792 20 0 DCADMM O=C(NCCn1ncnn1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001465847675 1016028943 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397371081 /nfs/dbraw/zinc/37/10/81/397371081.db2.gz RTLSGDSUXJHBJA-QMMMGPOBSA-N -1 1 317.367 0.222 20 0 DCADMM C[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000365882623 397329111 /nfs/dbraw/zinc/32/91/11/397329111.db2.gz WBIHOZLJWNOEAT-WCQYABFASA-N -1 1 301.350 0.978 20 0 DCADMM COc1ccc(C(=O)CCCC(=O)NCc2nn[n-]n2)cc1 ZINC000599376625 397422268 /nfs/dbraw/zinc/42/22/68/397422268.db2.gz CWWNTAKOSXKAES-UHFFFAOYSA-N -1 1 303.322 0.878 20 0 DCADMM C[C@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)c1nnc[nH]1 ZINC000578366011 397428232 /nfs/dbraw/zinc/42/82/32/397428232.db2.gz JGXSCHMRNDBAOD-QMMMGPOBSA-N -1 1 310.335 0.471 20 0 DCADMM COc1c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(C)nn1C ZINC000614472932 397445341 /nfs/dbraw/zinc/44/53/41/397445341.db2.gz DOANVBLCYKCNMR-UHFFFAOYSA-N -1 1 321.337 0.846 20 0 DCADMM O=C(CCCNC(=O)c1ccc(F)cc1F)NCc1nn[n-]n1 ZINC000599334112 397409842 /nfs/dbraw/zinc/40/98/42/397409842.db2.gz FBTQZLGHCJTZOV-UHFFFAOYSA-N -1 1 324.291 0.304 20 0 DCADMM CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1nn[n-]n1 ZINC000599334433 397410083 /nfs/dbraw/zinc/41/00/83/397410083.db2.gz MPZGVVDEEXXYJN-JTQLQIEISA-N -1 1 308.367 0.332 20 0 DCADMM CCOC(=O)c1c[n-]c(NC(=O)c2c(C)c(C)n[nH]c2=O)n1 ZINC000593900824 397470351 /nfs/dbraw/zinc/47/03/51/397470351.db2.gz FTESAIWBGPNHNA-UHFFFAOYSA-N -1 1 305.294 0.951 20 0 DCADMM O=C(c1cc(F)cc2nn[nH]c21)N1CCC2(COC(=O)N2)CC1 ZINC000495711762 397552086 /nfs/dbraw/zinc/55/20/86/397552086.db2.gz MCFANWHDABFDMW-UHFFFAOYSA-N -1 1 319.296 0.812 20 0 DCADMM CCOC(=O)Cn1ccc([N-]S(=O)(=O)N2CCCCC2)n1 ZINC000594462479 397556274 /nfs/dbraw/zinc/55/62/74/397556274.db2.gz OBMDIPGJIVOWPT-UHFFFAOYSA-N -1 1 316.383 0.589 20 0 DCADMM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC(C)(C)c2nn[n-]n2)C1 ZINC000492216455 397518287 /nfs/dbraw/zinc/51/82/87/397518287.db2.gz WGNBRXMFKPBPHB-SECBINFHSA-N -1 1 324.385 0.808 20 0 DCADMM CCC(=O)N[C@H](C)C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000603911304 397627744 /nfs/dbraw/zinc/62/77/44/397627744.db2.gz 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O=C(NCCCc1nc(=O)[n-][nH]1)c1cccc(-n2ccnn2)c1 ZINC000132383815 287005450 /nfs/dbraw/zinc/00/54/50/287005450.db2.gz WTEAEDBZLXBEIX-UHFFFAOYSA-N -1 1 313.321 0.041 20 0 DCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)CC1CCCCC1 ZINC000230275084 287063942 /nfs/dbraw/zinc/06/39/42/287063942.db2.gz LHEUBQNVRZKRDY-UHFFFAOYSA-N -1 1 306.428 0.845 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1COc2ccccc2C1 ZINC000357270081 287205110 /nfs/dbraw/zinc/20/51/10/287205110.db2.gz CQOGAOPTXIHQFH-VIFPVBQESA-N -1 1 317.301 0.630 20 0 DCADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCCN(C)C1=O)c2=O ZINC000358389744 287207454 /nfs/dbraw/zinc/20/74/54/287207454.db2.gz AQQHGPFCOBGWGN-JTQLQIEISA-N -1 1 303.322 0.025 20 0 DCADMM C[C@@H](Cc1ccccc1F)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000352421532 415168303 /nfs/dbraw/zinc/16/83/03/415168303.db2.gz DCNHCYDIMRXWSO-VIFPVBQESA-N -1 1 315.308 0.918 20 0 DCADMM CCC[C@H](NC(=O)COc1c(C)nn(C)c1C)c1nn[n-]n1 ZINC000268191415 415171871 /nfs/dbraw/zinc/17/18/71/415171871.db2.gz 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CN(Cc1ncccn1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000276026922 415412800 /nfs/dbraw/zinc/41/28/00/415412800.db2.gz RBCRTMYGLNDMKV-LBPRGKRZSA-N -1 1 313.361 0.924 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(O)cc1 ZINC000343174334 415484878 /nfs/dbraw/zinc/48/48/78/415484878.db2.gz JVMQFFMBDDZYLK-UHFFFAOYSA-N -1 1 301.302 0.539 20 0 DCADMM CCOCCOC[C@@H](O)CN=c1nc(C(F)(F)F)[n-]s1 ZINC000343204083 415500308 /nfs/dbraw/zinc/50/03/08/415500308.db2.gz INWFTRNXGNOMKC-ZETCQYMHSA-N -1 1 315.317 0.805 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCCc1ccncc1 ZINC000343215615 415506246 /nfs/dbraw/zinc/50/62/46/415506246.db2.gz ACXNGSUDASDTMM-UHFFFAOYSA-N -1 1 300.318 0.271 20 0 DCADMM COC(=O)[C@@H](C)[C@H](NCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000353474977 415555958 /nfs/dbraw/zinc/55/59/58/415555958.db2.gz FMMYXGNABPQJEZ-GWCFXTLKSA-N -1 1 304.350 0.748 20 0 DCADMM CC(C)(NC(=O)CCCNC(=O)[C@@H]1CC=CCC1)c1nn[n-]n1 ZINC000343445201 415603590 /nfs/dbraw/zinc/60/35/90/415603590.db2.gz PFQLNKXXRUMZJT-LLVKDONJSA-N -1 1 320.397 0.804 20 0 DCADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(N)=O ZINC000107311469 415663182 /nfs/dbraw/zinc/66/31/82/415663182.db2.gz WLNLPTDQDAMMNG-JTQLQIEISA-N -1 1 310.297 0.892 20 0 DCADMM CCC(CC)NC(=O)[C@@H](C)S(=O)(=O)c1nnc(COC)[n-]1 ZINC000353891596 415685906 /nfs/dbraw/zinc/68/59/06/415685906.db2.gz GUFQSWFIIWCRPC-MRVPVSSYSA-N -1 1 318.399 0.418 20 0 DCADMM CCC(CC)NC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(COC)n1 ZINC000353891596 415685912 /nfs/dbraw/zinc/68/59/12/415685912.db2.gz GUFQSWFIIWCRPC-MRVPVSSYSA-N -1 1 318.399 0.418 20 0 DCADMM CCC[C@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)c1nn[n-]n1 ZINC000343720598 415699939 /nfs/dbraw/zinc/69/99/39/415699939.db2.gz AQWLOTWHKPXZGO-KOLCDFICSA-N -1 1 308.386 0.852 20 0 DCADMM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ncccc1[O-] ZINC000112117175 415705838 /nfs/dbraw/zinc/70/58/38/415705838.db2.gz IMOGZIOIBZJDDG-ZETCQYMHSA-N -1 1 303.240 0.680 20 0 DCADMM CCC[C@@H](NC(=O)CCc1nc([C@H](C)OC)no1)c1nn[n-]n1 ZINC000343746018 415709969 /nfs/dbraw/zinc/70/99/69/415709969.db2.gz OWPYAVYCLLEIFS-DTWKUNHWSA-N -1 1 323.357 0.880 20 0 DCADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2=O ZINC000119228122 415739245 /nfs/dbraw/zinc/73/92/45/415739245.db2.gz GEGBJERYVXXXFK-JTQLQIEISA-N -1 1 305.338 0.304 20 0 DCADMM O=C(c1cccc2ncnn21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425324187 287316235 /nfs/dbraw/zinc/31/62/35/287316235.db2.gz QKFYCVJOWYBHSW-UHFFFAOYSA-N -1 1 314.305 0.838 20 0 DCADMM COc1cnc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)nc1 ZINC000425325769 287316535 /nfs/dbraw/zinc/31/65/35/287316535.db2.gz SXOAHJREHJBGIK-UHFFFAOYSA-N -1 1 305.294 0.594 20 0 DCADMM CC(C)CO[C@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000343891279 415767664 /nfs/dbraw/zinc/76/76/64/415767664.db2.gz DRMJMTHVKOTVOY-LBPRGKRZSA-N -1 1 321.377 0.791 20 0 DCADMM CCC[C@@H](CCO)CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000344108961 415840302 /nfs/dbraw/zinc/84/03/02/415840302.db2.gz KIVUEZNMYFCXRA-NSHDSACASA-N -1 1 309.366 0.432 20 0 DCADMM 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/nfs/dbraw/zinc/64/79/48/606647948.db2.gz KBUZGIXPKMJNHE-UHFFFAOYSA-N -1 1 320.309 0.441 20 0 DCADMM CCOC(=O)NCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821334256 606647949 /nfs/dbraw/zinc/64/79/49/606647949.db2.gz KBUZGIXPKMJNHE-UHFFFAOYSA-N -1 1 320.309 0.441 20 0 DCADMM CCOC(=O)C[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821325721 606772172 /nfs/dbraw/zinc/77/21/72/606772172.db2.gz KQBPABPESDVRGX-SSDOTTSWSA-N -1 1 322.329 0.063 20 0 DCADMM CCOC(=O)C[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821325721 606772173 /nfs/dbraw/zinc/77/21/73/606772173.db2.gz KQBPABPESDVRGX-SSDOTTSWSA-N -1 1 322.329 0.063 20 0 DCADMM C/C=C/C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820833013 606825718 /nfs/dbraw/zinc/82/57/18/606825718.db2.gz QBIFRSIJTPVMEK-FSIBCCDJSA-N -1 1 314.353 0.270 20 0 DCADMM C/C=C/C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820833013 606825720 /nfs/dbraw/zinc/82/57/20/606825720.db2.gz QBIFRSIJTPVMEK-FSIBCCDJSA-N -1 1 314.353 0.270 20 0 DCADMM C[C@H]1N(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCOC1(C)C ZINC000820822324 606934848 /nfs/dbraw/zinc/93/48/48/606934848.db2.gz YQGNZJDMSQJKIS-SECBINFHSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H]1N(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCOC1(C)C ZINC000820822324 606934849 /nfs/dbraw/zinc/93/48/49/606934849.db2.gz YQGNZJDMSQJKIS-SECBINFHSA-N -1 1 302.338 0.901 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823483804 606944287 /nfs/dbraw/zinc/94/42/87/606944287.db2.gz NOSNFPYMENREFP-ZETCQYMHSA-N -1 1 320.334 0.205 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823483804 606944289 /nfs/dbraw/zinc/94/42/89/606944289.db2.gz NOSNFPYMENREFP-ZETCQYMHSA-N -1 1 320.334 0.205 20 0 DCADMM CC(C)NC(=O)CCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820131421 607107381 /nfs/dbraw/zinc/10/73/81/607107381.db2.gz CTPQUWSLGPCHMG-UHFFFAOYSA-N -1 1 323.382 0.957 20 0 DCADMM CC(C)NC(=O)CCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820131421 607107382 /nfs/dbraw/zinc/10/73/82/607107382.db2.gz CTPQUWSLGPCHMG-UHFFFAOYSA-N -1 1 323.382 0.957 20 0 DCADMM Cc1cc(C[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)[nH]n1 ZINC000822200232 607167623 /nfs/dbraw/zinc/16/76/23/607167623.db2.gz ZIAMABYVAWNILT-QMMMGPOBSA-N -1 1 312.337 0.654 20 0 DCADMM CSC[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821962080 607194898 /nfs/dbraw/zinc/19/48/98/607194898.db2.gz OXWNAFVLPDTVEM-MRVPVSSYSA-N -1 1 322.398 0.960 20 0 DCADMM CSC[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821962080 607194899 /nfs/dbraw/zinc/19/48/99/607194899.db2.gz OXWNAFVLPDTVEM-MRVPVSSYSA-N -1 1 322.398 0.960 20 0 DCADMM CSC[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821962083 607195031 /nfs/dbraw/zinc/19/50/31/607195031.db2.gz OXWNAFVLPDTVEM-QMMMGPOBSA-N -1 1 322.398 0.960 20 0 DCADMM CSC[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821962083 607195032 /nfs/dbraw/zinc/19/50/32/607195032.db2.gz OXWNAFVLPDTVEM-QMMMGPOBSA-N -1 1 322.398 0.960 20 0 DCADMM C[C@@H]1CC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC000820690154 607216640 /nfs/dbraw/zinc/21/66/40/607216640.db2.gz HEUURUVKAKXFEL-OPRDCNLKSA-N -1 1 304.358 0.399 20 0 DCADMM CC1(C)CCC(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820590487 607218874 /nfs/dbraw/zinc/21/88/74/607218874.db2.gz UYCYIJAKFJSXOE-UHFFFAOYSA-N -1 1 304.358 0.543 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000823123081 607221753 /nfs/dbraw/zinc/22/17/53/607221753.db2.gz MYRUSWLOALNTSR-NXEZZACHSA-N -1 1 302.342 0.107 20 0 DCADMM CN(C)c1ncncc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821592879 607239798 /nfs/dbraw/zinc/23/97/98/607239798.db2.gz ZUAMXWILPCUWLP-UHFFFAOYSA-N -1 1 311.309 0.370 20 0 DCADMM CN(C)c1ncncc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821592879 607239799 /nfs/dbraw/zinc/23/97/99/607239799.db2.gz ZUAMXWILPCUWLP-UHFFFAOYSA-N -1 1 311.309 0.370 20 0 DCADMM O[C@@]1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCOC1 ZINC000826506039 607851390 /nfs/dbraw/zinc/85/13/90/607851390.db2.gz LOSDMHFTQBALQD-OAHLLOKOSA-N -1 1 312.333 0.978 20 0 DCADMM O[C@@]1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCOC1 ZINC000826506039 607851391 /nfs/dbraw/zinc/85/13/91/607851391.db2.gz LOSDMHFTQBALQD-OAHLLOKOSA-N -1 1 312.333 0.978 20 0 DCADMM COC[C@@H](C)S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826149313 607867292 /nfs/dbraw/zinc/86/72/92/607867292.db2.gz FHYMFADLGHVQQL-SSDOTTSWSA-N -1 1 316.314 0.749 20 0 DCADMM COC[C@@H](C)S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826149313 607867293 /nfs/dbraw/zinc/86/72/93/607867293.db2.gz FHYMFADLGHVQQL-SSDOTTSWSA-N -1 1 316.314 0.749 20 0 DCADMM CC[C@H](C[C@H](C)CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825082759 607994303 /nfs/dbraw/zinc/99/43/03/607994303.db2.gz VMTCRDAAVHWVJX-GXSJLCMTSA-N -1 1 304.354 0.789 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1scnc1C1CC1 ZINC000826395860 608026732 /nfs/dbraw/zinc/02/67/32/608026732.db2.gz VWFFOQGPPQYJAR-UHFFFAOYSA-N -1 1 302.323 0.668 20 0 DCADMM O=C1C[C@@H]([C@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)CN1 ZINC000826478951 608149470 /nfs/dbraw/zinc/14/94/70/608149470.db2.gz NACJSOMWZNZWIC-ZYHUDNBSSA-N -1 1 313.365 0.757 20 0 DCADMM O=C1C[C@@H]([C@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)CN1 ZINC000826478951 608149471 /nfs/dbraw/zinc/14/94/71/608149471.db2.gz NACJSOMWZNZWIC-ZYHUDNBSSA-N -1 1 313.365 0.757 20 0 DCADMM CCOC[C@@H](C(=O)OC)N(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825584023 608164455 /nfs/dbraw/zinc/16/44/55/608164455.db2.gz ZLQAOAIJMHQLQH-LBPRGKRZSA-N -1 1 320.353 0.272 20 0 DCADMM CCOC[C@@H](C(=O)OC)N(C)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825584023 608164457 /nfs/dbraw/zinc/16/44/57/608164457.db2.gz ZLQAOAIJMHQLQH-LBPRGKRZSA-N -1 1 320.353 0.272 20 0 DCADMM Cc1nnc(Sc2snc(Cl)c2-c2nnn[n-]2)n1N ZINC000826337708 608172843 /nfs/dbraw/zinc/17/28/43/608172843.db2.gz YKXPORBYCSPMRT-UHFFFAOYSA-N -1 1 315.775 0.742 20 0 DCADMM Cc1nnc(Sc2snc(Cl)c2-c2nn[n-]n2)n1N ZINC000826337708 608172846 /nfs/dbraw/zinc/17/28/46/608172846.db2.gz YKXPORBYCSPMRT-UHFFFAOYSA-N -1 1 315.775 0.742 20 0 DCADMM CC[C@@H]1CC[C@H](C)N1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825195847 608237422 /nfs/dbraw/zinc/23/74/22/608237422.db2.gz ZFBOTFSWGZVIEY-DTWKUNHWSA-N -1 1 319.369 0.031 20 0 DCADMM CC(C)(C)n1ncc2c1ncnc2-n1cnc(-c2nn[n-]n2)n1 ZINC000824153003 608270135 /nfs/dbraw/zinc/27/01/35/608270135.db2.gz XNLMPWVKAJJBKT-UHFFFAOYSA-N -1 1 311.313 0.342 20 0 DCADMM C[C@H]1C(=O)NCCN1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000824859885 608380859 /nfs/dbraw/zinc/38/08/59/608380859.db2.gz RSCSGLNWSNXDGG-VIFPVBQESA-N -1 1 309.333 0.740 20 0 DCADMM C[C@H]1C(=O)NCCN1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000824859885 608380860 /nfs/dbraw/zinc/38/08/60/608380860.db2.gz RSCSGLNWSNXDGG-VIFPVBQESA-N -1 1 309.333 0.740 20 0 DCADMM CCCNC(=O)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825328037 608394464 /nfs/dbraw/zinc/39/44/64/608394464.db2.gz OIEHIWSYKOCWOJ-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCCNC(=O)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825328037 608394466 /nfs/dbraw/zinc/39/44/66/608394466.db2.gz OIEHIWSYKOCWOJ-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM Cc1cnc(S(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)nc1 ZINC000826319262 608394801 /nfs/dbraw/zinc/39/48/01/608394801.db2.gz VOIHJQFMHRRQLO-UHFFFAOYSA-N -1 1 317.334 0.334 20 0 DCADMM Cc1cnc(S(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC000826319262 608394802 /nfs/dbraw/zinc/39/48/02/608394802.db2.gz VOIHJQFMHRRQLO-UHFFFAOYSA-N -1 1 317.334 0.334 20 0 DCADMM c1cc(N2CCC[C@@H](C3OCCO3)C2)nnc1-c1nnn[n-]1 ZINC000826517133 608411207 /nfs/dbraw/zinc/41/12/07/608411207.db2.gz RTEOBMFNJIWZES-SECBINFHSA-N -1 1 303.326 0.246 20 0 DCADMM c1cc(N2CCC[C@@H](C3OCCO3)C2)nnc1-c1nn[n-]n1 ZINC000826517133 608411208 /nfs/dbraw/zinc/41/12/08/608411208.db2.gz RTEOBMFNJIWZES-SECBINFHSA-N -1 1 303.326 0.246 20 0 DCADMM c1cc(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1-c1nnn[n-]1 ZINC000826517320 608431932 /nfs/dbraw/zinc/43/19/32/608431932.db2.gz YPPLRKZKFDBOGA-QWRGUYRKSA-N -1 1 303.326 0.041 20 0 DCADMM c1cc(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1-c1nn[n-]n1 ZINC000826517320 608431934 /nfs/dbraw/zinc/43/19/34/608431934.db2.gz YPPLRKZKFDBOGA-QWRGUYRKSA-N -1 1 303.326 0.041 20 0 DCADMM Fc1cccnc1OCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826378332 608436573 /nfs/dbraw/zinc/43/65/73/608436573.db2.gz FGQXCAPUGSRHJN-UHFFFAOYSA-N -1 1 302.273 0.682 20 0 DCADMM Fc1cccnc1OCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826378332 608436574 /nfs/dbraw/zinc/43/65/74/608436574.db2.gz FGQXCAPUGSRHJN-UHFFFAOYSA-N -1 1 302.273 0.682 20 0 DCADMM CC(C)[C@@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824191875 608559755 /nfs/dbraw/zinc/55/97/55/608559755.db2.gz HLBPDQKLGUDQBX-SECBINFHSA-N -1 1 320.401 0.855 20 0 DCADMM CC(C)[C@@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824191875 608559756 /nfs/dbraw/zinc/55/97/56/608559756.db2.gz HLBPDQKLGUDQBX-SECBINFHSA-N -1 1 320.401 0.855 20 0 DCADMM O=C1CN(Cc2ccc(-c3nn[n-]n3)s2)CCN1C1CC1 ZINC000826481499 608705602 /nfs/dbraw/zinc/70/56/02/608705602.db2.gz WYZYUSGQCMMXQU-UHFFFAOYSA-N -1 1 304.379 0.735 20 0 DCADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCS1(=O)=O ZINC000824985168 608711979 /nfs/dbraw/zinc/71/19/79/608711979.db2.gz SLEINRXZWQZAAE-MRVPVSSYSA-N -1 1 313.408 0.547 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000824893820 608812300 /nfs/dbraw/zinc/81/23/00/608812300.db2.gz VHIDBUCMDACFSS-SFYZADRCSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000824893820 608812303 /nfs/dbraw/zinc/81/23/03/608812303.db2.gz VHIDBUCMDACFSS-SFYZADRCSA-N -1 1 306.330 0.289 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2nccnc2c1 ZINC000826395642 608861728 /nfs/dbraw/zinc/86/17/28/608861728.db2.gz MVXMIWRNEPMXLA-UHFFFAOYSA-N -1 1 307.277 0.277 20 0 DCADMM COc1nc(C)ccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826221574 609267737 /nfs/dbraw/zinc/26/77/37/609267737.db2.gz LHHYMDNPRWUWTF-UHFFFAOYSA-N -1 1 300.282 0.046 20 0 DCADMM COC[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)OC ZINC000826149161 609312957 /nfs/dbraw/zinc/31/29/57/609312957.db2.gz ATWXYHQHSMZUHE-SECBINFHSA-N -1 1 315.337 0.883 20 0 DCADMM COC[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)OC ZINC000826149161 609312958 /nfs/dbraw/zinc/31/29/58/609312958.db2.gz ATWXYHQHSMZUHE-SECBINFHSA-N -1 1 315.337 0.883 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2C(C)(C)O)n1 ZINC000826357252 609382197 /nfs/dbraw/zinc/38/21/97/609382197.db2.gz XRELKRHYJBGRIY-SECBINFHSA-N -1 1 320.357 0.367 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2C(C)(C)O)n1 ZINC000826357252 609382199 /nfs/dbraw/zinc/38/21/99/609382199.db2.gz XRELKRHYJBGRIY-SECBINFHSA-N -1 1 320.357 0.367 20 0 DCADMM CC(C)Cn1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC000824279991 609391558 /nfs/dbraw/zinc/39/15/58/609391558.db2.gz AIRZNSPUODXUHG-UHFFFAOYSA-N -1 1 315.341 0.705 20 0 DCADMM CC(C)Cn1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC000824279991 609391561 /nfs/dbraw/zinc/39/15/61/609391561.db2.gz AIRZNSPUODXUHG-UHFFFAOYSA-N -1 1 315.341 0.705 20 0 DCADMM CC[C@](NC(=O)c1ccc(-c2nnn[n-]2)nc1)(C(N)=O)C(C)C ZINC000825132519 609409095 /nfs/dbraw/zinc/40/90/95/609409095.db2.gz ADIJXQBTXDBXLS-CQSZACIVSA-N -1 1 317.353 0.282 20 0 DCADMM CC[C@](NC(=O)c1ccc(-c2nn[n-]n2)nc1)(C(N)=O)C(C)C ZINC000825132519 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O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826467460 609623500 /nfs/dbraw/zinc/62/35/00/609623500.db2.gz XDTAVPJPFWLJBW-WCQGTBRESA-N -1 1 301.306 0.730 20 0 DCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826467460 609623501 /nfs/dbraw/zinc/62/35/01/609623501.db2.gz XDTAVPJPFWLJBW-WCQGTBRESA-N -1 1 301.306 0.730 20 0 DCADMM CN(C)[C@@H](CC[N-]S(=O)(=O)c1ccn(C)n1)C(F)(F)F ZINC000921632782 667322295 /nfs/dbraw/zinc/32/22/95/667322295.db2.gz QIFUQAVQCSQGIC-QMMMGPOBSA-N -1 1 314.333 0.581 20 0 DCADMM CCN(CC)C(=O)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866604610 667383607 /nfs/dbraw/zinc/38/36/07/667383607.db2.gz NBWBKRIPHDFTSN-UHFFFAOYSA-N -1 1 307.322 0.507 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)C2CCCC2)CCO1 ZINC000979155529 660676680 /nfs/dbraw/zinc/67/66/80/660676680.db2.gz GGLBNOLUNIDYSY-JQWIXIFHSA-N -1 1 323.397 0.406 20 0 DCADMM Cn1cnnc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000907370654 663689444 /nfs/dbraw/zinc/68/94/44/663689444.db2.gz 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O=C(c1c[nH]cc1C1CC1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019586022 693531611 /nfs/dbraw/zinc/53/16/11/693531611.db2.gz INDOSOBSTBAWGB-JTQLQIEISA-N -1 1 316.365 0.720 20 0 DCADMM Cc1ncoc1CN[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001020079254 693675440 /nfs/dbraw/zinc/67/54/40/693675440.db2.gz LMMGTKDMLFTOMY-MGCOHNPYSA-N -1 1 305.338 0.771 20 0 DCADMM Cc1noc(CN[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001020098482 693684987 /nfs/dbraw/zinc/68/49/87/693684987.db2.gz PEZLWHKGGSILLP-MGCOHNPYSA-N -1 1 303.322 0.529 20 0 DCADMM Cc1nonc1CN[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001020098711 693685031 /nfs/dbraw/zinc/68/50/31/693685031.db2.gz ZZBNGURLRYEZFP-MGCOHNPYSA-N -1 1 303.322 0.529 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@@H]1CC1(F)F ZINC001074640717 694914775 /nfs/dbraw/zinc/91/47/75/694914775.db2.gz QVTHXSGHILWRCK-FXQIFTODSA-N -1 1 301.297 0.245 20 0 DCADMM CC[C@H](OC)C(=O)N[C@@H](C)CCNC(=O)c1ncccc1[O-] ZINC001076244493 695008418 /nfs/dbraw/zinc/00/84/18/695008418.db2.gz VBLVWHJIGGYUQX-JQWIXIFHSA-N -1 1 309.366 0.837 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)CN2CCCC2)c1[O-] ZINC001076593852 695031137 /nfs/dbraw/zinc/03/11/37/695031137.db2.gz DZPZYJGHLKASNJ-JTQLQIEISA-N -1 1 323.397 0.144 20 0 DCADMM O=C(NCCCNC(=O)C1CC1)c1cnc(C2CC2)[n-]c1=O ZINC001720211231 1157597513 /nfs/dbraw/zinc/59/75/13/1157597513.db2.gz NYXJRUCYCIUUJF-UHFFFAOYSA-N -1 1 304.350 0.706 20 0 DCADMM CC[C@@H]1C[C@@H](C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)CCO1 ZINC001691546801 1158336114 /nfs/dbraw/zinc/33/61/14/1158336114.db2.gz YTVHYEQPZJUGIC-WDEREUQCSA-N -1 1 311.386 0.264 20 0 DCADMM CCCOCC(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001746875431 1158407661 /nfs/dbraw/zinc/40/76/61/1158407661.db2.gz IDICPOGUPQGQQS-UHFFFAOYSA-N -1 1 309.366 0.744 20 0 DCADMM CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)c1ccncc1[O-] ZINC001272765526 1158618592 /nfs/dbraw/zinc/61/85/92/1158618592.db2.gz JFJMSYMCVYPVQU-STQMWFEESA-N -1 1 318.377 0.164 20 0 DCADMM CC(C)N(CCCNC(=O)[C@H]1CC1(F)F)Cc1n[nH]c(=O)[n-]1 ZINC001691716055 1158962149 /nfs/dbraw/zinc/96/21/49/1158962149.db2.gz WCHQPCLBQLXZQH-SECBINFHSA-N -1 1 317.340 0.882 20 0 DCADMM C[C@H](CCCNC(=O)c1ncccc1[O-])NC(=O)c1cn[nH]c1 ZINC001572082084 1163017913 /nfs/dbraw/zinc/01/79/13/1163017913.db2.gz HNTWSXKTIAZHAW-SNVBAGLBSA-N -1 1 317.349 0.839 20 0 DCADMM CC(C)OCCC(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001446417599 1159407371 /nfs/dbraw/zinc/40/73/71/1159407371.db2.gz KBLRMFGKAMQGQF-NSHDSACASA-N -1 1 311.386 0.406 20 0 DCADMM C[C@@H](CNC(=O)C[C@@H]1CCCO1)CNC(=O)c1ncccc1[O-] ZINC001451488209 1159748388 /nfs/dbraw/zinc/74/83/88/1159748388.db2.gz BSZBBOBUBANXDS-RYUDHWBXSA-N -1 1 321.377 0.838 20 0 DCADMM C[C@H]1CSCCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC001472289558 1159773831 /nfs/dbraw/zinc/77/38/31/1159773831.db2.gz FYMLTPKTQMCDBU-JTQLQIEISA-N -1 1 309.391 0.871 20 0 DCADMM C[C@@H]1C[C@@H](C(=O)NCCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)CO1 ZINC001566590277 1160082919 /nfs/dbraw/zinc/08/29/19/1160082919.db2.gz MWFRBBPJESSRSX-GHMZBOCLSA-N -1 1 323.397 0.406 20 0 DCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CSC(F)F)c1 ZINC001566778257 1160149259 /nfs/dbraw/zinc/14/92/59/1160149259.db2.gz WXENLHSCNCEWNJ-UHFFFAOYSA-N -1 1 312.319 0.934 20 0 DCADMM CCOC(=O)c1ccc(NC(=O)CCc2nn[n-]n2)c(O)c1 ZINC001567084717 1160234991 /nfs/dbraw/zinc/23/49/91/1160234991.db2.gz VSBQAHINJNOXJJ-UHFFFAOYSA-N -1 1 305.294 0.653 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)C1(C(F)F)CCC1 ZINC001567548934 1160417200 /nfs/dbraw/zinc/41/72/00/1160417200.db2.gz BKPJQRHSTJKRIN-UHFFFAOYSA-N -1 1 303.313 0.494 20 0 DCADMM COc1cccc(C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)c1C ZINC001567566430 1160423888 /nfs/dbraw/zinc/42/38/88/1160423888.db2.gz QDORWMSOSKKPJX-UHFFFAOYSA-N -1 1 319.365 0.689 20 0 DCADMM CCCCCCN1CC(N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001569505054 1161082051 /nfs/dbraw/zinc/08/20/51/1161082051.db2.gz YAWLFUHXRXWFEL-UHFFFAOYSA-N -1 1 311.386 0.412 20 0 DCADMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@H](O)CC(=O)[O-])[C@@H]2C1 ZINC001573465795 1163442579 /nfs/dbraw/zinc/44/25/79/1163442579.db2.gz ZCVOBDIFFWBDLM-GRYCIOLGSA-N -1 1 314.382 0.763 20 0 DCADMM C[C@@H]1CN2CCN1C[C@H]2C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC001573654983 1163524356 /nfs/dbraw/zinc/52/43/56/1163524356.db2.gz PZOFHSRQLRYKON-HIFRSBDPSA-N -1 1 317.389 0.488 20 0 DCADMM CCn1cc(C(=O)[O-])c(NC(=O)N[C@H](C)c2n[nH]c(C)n2)n1 ZINC001573847201 1163565997 /nfs/dbraw/zinc/56/59/97/1163565997.db2.gz QBRQWQNERFIEFL-ZCFIWIBFSA-N -1 1 307.314 0.910 20 0 DCADMM CN(C)Cc1ccc(C(=O)NCc2[nH]cnc2C(=O)[O-])cn1 ZINC001573863878 1163571671 /nfs/dbraw/zinc/57/16/71/1163571671.db2.gz PQHKOVHBXHNISW-UHFFFAOYSA-N -1 1 303.322 0.495 20 0 DCADMM CC(C)(CNC(N)=O)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001573902792 1163581045 /nfs/dbraw/zinc/58/10/45/1163581045.db2.gz WSWNMBAGZLIJTK-UHFFFAOYSA-N -1 1 309.355 0.105 20 0 DCADMM CC(C)(CNC(N)=O)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001573902792 1163581049 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CC(C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573959515 1163603745 /nfs/dbraw/zinc/60/37/45/1163603745.db2.gz YPHKPIVVKMWKRM-NSHDSACASA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573966532 1163609469 /nfs/dbraw/zinc/60/94/69/1163609469.db2.gz NRSROBCMRXJLKS-JTQLQIEISA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573966532 1163609480 /nfs/dbraw/zinc/60/94/80/1163609480.db2.gz NRSROBCMRXJLKS-JTQLQIEISA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573969181 1163614391 /nfs/dbraw/zinc/61/43/91/1163614391.db2.gz CWZYNYKBBDOLPM-MGCOHNPYSA-N -1 1 316.369 0.041 20 0 DCADMM CC(C)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573969186 1163614561 /nfs/dbraw/zinc/61/45/61/1163614561.db2.gz DCOIKZZVMFSZEN-MGCOHNPYSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573969186 1163614566 /nfs/dbraw/zinc/61/45/66/1163614566.db2.gz DCOIKZZVMFSZEN-MGCOHNPYSA-N -1 1 316.369 0.619 20 0 DCADMM Cc1nc([C@@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)sc1C(=O)[O-] ZINC001574188442 1163656202 /nfs/dbraw/zinc/65/62/02/1163656202.db2.gz RTHYIIXZNYFXHY-SSDOTTSWSA-N -1 1 309.351 0.963 20 0 DCADMM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC001574191248 1163658071 /nfs/dbraw/zinc/65/80/71/1163658071.db2.gz BYPJHRAWCDTPEV-VIFPVBQESA-N -1 1 316.321 0.621 20 0 DCADMM Cc1nonc1CC(=O)N1CC[C@@H](c2[nH]ncc2C(=O)[O-])C1 ZINC001574205387 1163662291 /nfs/dbraw/zinc/66/22/91/1163662291.db2.gz IKUYJWJOWWGTNV-MRVPVSSYSA-N -1 1 305.294 0.358 20 0 DCADMM Cn1ncc(C(=O)[O-])c1NC(=O)CN[C@H]1CCCn2nccc21 ZINC001574226951 1163669819 /nfs/dbraw/zinc/66/98/19/1163669819.db2.gz XCWNEDSHJKFFMT-JTQLQIEISA-N -1 1 318.337 0.378 20 0 DCADMM CC(C)COC1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574228382 1163671006 /nfs/dbraw/zinc/67/10/06/1163671006.db2.gz JYVLNXWGXJONHX-UHFFFAOYSA-N -1 1 316.365 0.688 20 0 DCADMM CC(C)COC1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574228382 1163671011 /nfs/dbraw/zinc/67/10/11/1163671011.db2.gz JYVLNXWGXJONHX-UHFFFAOYSA-N -1 1 316.365 0.688 20 0 DCADMM O=C([O-])C[C@@H](O)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC001574362998 1163705701 /nfs/dbraw/zinc/70/57/01/1163705701.db2.gz NNNCUAYZQWHYGS-VHSXEESVSA-N -1 1 308.338 0.224 20 0 DCADMM O=C([O-])CC1(NC(=O)c2ccc(-c3nnc[nH]3)cc2)COC1 ZINC001574364868 1163706416 /nfs/dbraw/zinc/70/64/16/1163706416.db2.gz KIHRPPGXZSGABI-UHFFFAOYSA-N -1 1 302.290 0.445 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC12CC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574863165 1163776276 /nfs/dbraw/zinc/77/62/76/1163776276.db2.gz XRBNGVGYPNYFCF-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC12CC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574863165 1163776284 /nfs/dbraw/zinc/77/62/84/1163776284.db2.gz XRBNGVGYPNYFCF-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)C=C1CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574883755 1163785376 /nfs/dbraw/zinc/78/53/76/1163785376.db2.gz ADAPPWVIXODWPP-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNC(=O)C=C1CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574883755 1163785380 /nfs/dbraw/zinc/78/53/80/1163785380.db2.gz ADAPPWVIXODWPP-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM CCc1nc(C)c(C(=O)NCCNC(=O)c2ncccc2[O-])o1 ZINC001575059017 1163871774 /nfs/dbraw/zinc/87/17/74/1163871774.db2.gz QNMVYAYCXPYGIQ-UHFFFAOYSA-N -1 1 318.333 0.806 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576078678 1164233370 /nfs/dbraw/zinc/23/33/70/1164233370.db2.gz VABMEXKPEXOETP-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576078678 1164233375 /nfs/dbraw/zinc/23/33/75/1164233375.db2.gz VABMEXKPEXOETP-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)CC1=O ZINC001576093342 1164238956 /nfs/dbraw/zinc/23/89/56/1164238956.db2.gz BQHMNBOXGFOIGB-FKTZTGRPSA-N -1 1 316.321 0.199 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)CC1=O ZINC001576093342 1164238965 /nfs/dbraw/zinc/23/89/65/1164238965.db2.gz BQHMNBOXGFOIGB-FKTZTGRPSA-N -1 1 316.321 0.199 20 0 DCADMM C[C@@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC[C@@H]1O ZINC001576282118 1164291104 /nfs/dbraw/zinc/29/11/04/1164291104.db2.gz RRLKYMPUWNUUMZ-SCZZXKLOSA-N -1 1 322.394 0.841 20 0 DCADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCN1c1cnccn1 ZINC001576366255 1164316451 /nfs/dbraw/zinc/31/64/51/1164316451.db2.gz SKYYLIGMPGWCMO-JTQLQIEISA-N -1 1 324.352 0.162 20 0 DCADMM CCC(=O)N1CC[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576415553 1164333585 /nfs/dbraw/zinc/33/35/85/1164333585.db2.gz WQGQLMGLDRQTMI-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576415553 1164333591 /nfs/dbraw/zinc/33/35/91/1164333591.db2.gz WQGQLMGLDRQTMI-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001576440284 1164343628 /nfs/dbraw/zinc/34/36/28/1164343628.db2.gz IQRTWFTZYHJCSZ-UHFFFAOYSA-N -1 1 316.369 0.330 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001576441218 1164345475 /nfs/dbraw/zinc/34/54/75/1164345475.db2.gz VFDDOHKRBVORTG-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001576441218 1164345477 /nfs/dbraw/zinc/34/54/77/1164345477.db2.gz VFDDOHKRBVORTG-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001576444910 1164346662 /nfs/dbraw/zinc/34/66/62/1164346662.db2.gz MVKYNCJISZPKMV-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001576444910 1164346667 /nfs/dbraw/zinc/34/66/67/1164346667.db2.gz MVKYNCJISZPKMV-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001576445571 1164347052 /nfs/dbraw/zinc/34/70/52/1164347052.db2.gz SOKIJECJRGWABO-VHSXEESVSA-N -1 1 316.369 0.540 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CCc1nncn1CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001578705798 1165087905 /nfs/dbraw/zinc/08/79/05/1165087905.db2.gz GFJKGTXULISVCU-UHFFFAOYSA-N -1 1 318.366 0.512 20 0 DCADMM CCn1nncc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001578838339 1165136681 /nfs/dbraw/zinc/13/66/81/1165136681.db2.gz MCVIMHJSHWBOCE-UHFFFAOYSA-N -1 1 305.327 0.495 20 0 DCADMM CCn1nncc1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001578838339 1165136683 /nfs/dbraw/zinc/13/66/83/1165136683.db2.gz MCVIMHJSHWBOCE-UHFFFAOYSA-N -1 1 305.327 0.495 20 0 DCADMM CN(C)c1cncc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001579002208 1165184904 /nfs/dbraw/zinc/18/49/04/1165184904.db2.gz NUWZYHGCNMXTQX-UHFFFAOYSA-N -1 1 324.348 0.904 20 0 DCADMM CN(C)c1cncc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001579002208 1165184909 /nfs/dbraw/zinc/18/49/09/1165184909.db2.gz NUWZYHGCNMXTQX-UHFFFAOYSA-N -1 1 324.348 0.904 20 0 DCADMM CN(CCNC(=O)C1(C)CCC1)c1nccnc1-c1nnn[n-]1 ZINC001579161090 1165227058 /nfs/dbraw/zinc/22/70/58/1165227058.db2.gz AVIFDKVNGXNLST-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)C1(C)CCC1)c1nccnc1-c1nn[n-]n1 ZINC001579161090 1165227063 /nfs/dbraw/zinc/22/70/63/1165227063.db2.gz AVIFDKVNGXNLST-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)c1ccc[nH]1 ZINC001579216578 1165241464 /nfs/dbraw/zinc/24/14/64/1165241464.db2.gz BLADMPCYROXPTL-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)c1ccc[nH]1 ZINC001579216578 1165241471 /nfs/dbraw/zinc/24/14/71/1165241471.db2.gz BLADMPCYROXPTL-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(Cc1ccco1)C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001579263099 1165253925 /nfs/dbraw/zinc/25/39/25/1165253925.db2.gz NYXQRHYDMJHFNN-UHFFFAOYSA-N -1 1 314.305 0.280 20 0 DCADMM CNC(=O)N[C@@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001579402718 1165299228 /nfs/dbraw/zinc/29/92/28/1165299228.db2.gz NJYLABALPYWKNJ-MRVPVSSYSA-N -1 1 321.366 0.072 20 0 DCADMM COC(=O)[C@]1(CNc2snc(C)c2-c2nn[n-]n2)CCOC1 ZINC001579438588 1165310649 /nfs/dbraw/zinc/31/06/49/1165310649.db2.gz JYOVZRASKXWBQG-LBPRGKRZSA-N -1 1 324.366 0.623 20 0 DCADMM COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3cc(-c4nnn[n-]4)ncn3)[C@@H]2C1 ZINC001579446236 1165312277 /nfs/dbraw/zinc/31/22/77/1165312277.db2.gz IZCYVVMAPJWMIX-RGOKHQFPSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3cc(-c4nn[n-]n4)ncn3)[C@@H]2C1 ZINC001579446236 1165312280 /nfs/dbraw/zinc/31/22/80/1165312280.db2.gz IZCYVVMAPJWMIX-RGOKHQFPSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)nn1C ZINC001579483317 1165328121 /nfs/dbraw/zinc/32/81/21/1165328121.db2.gz BHCLACPQHIWTQS-UHFFFAOYSA-N -1 1 317.265 0.232 20 0 DCADMM COC(=O)c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)nn1C ZINC001579483317 1165328127 /nfs/dbraw/zinc/32/81/27/1165328127.db2.gz BHCLACPQHIWTQS-UHFFFAOYSA-N -1 1 317.265 0.232 20 0 DCADMM COC(=O)c1cc(NC(=O)c2ccsc2-c2nnn[n-]2)on1 ZINC001579483422 1165329063 /nfs/dbraw/zinc/32/90/63/1165329063.db2.gz GYMFPVKBRXWKPG-UHFFFAOYSA-N -1 1 320.290 0.955 20 0 DCADMM COC(=O)c1cc(NC(=O)c2ccsc2-c2nn[n-]n2)on1 ZINC001579483422 1165329067 /nfs/dbraw/zinc/32/90/67/1165329067.db2.gz GYMFPVKBRXWKPG-UHFFFAOYSA-N -1 1 320.290 0.955 20 0 DCADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001579567395 1165349282 /nfs/dbraw/zinc/34/92/82/1165349282.db2.gz MTRSHMJBIVDNGP-HRDYMLBCSA-N -1 1 315.333 0.367 20 0 DCADMM CO[C@H]1CC[C@@H](NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001579613356 1165359984 /nfs/dbraw/zinc/35/99/84/1165359984.db2.gz UCTOCNLHEOJOJK-BDAKNGLRSA-N -1 1 318.337 0.573 20 0 DCADMM COCc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001579831189 1165404624 /nfs/dbraw/zinc/40/46/24/1165404624.db2.gz COUPBEMSJHNWNO-UHFFFAOYSA-N -1 1 313.321 0.999 20 0 DCADMM COCc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001579831189 1165404626 /nfs/dbraw/zinc/40/46/26/1165404626.db2.gz COUPBEMSJHNWNO-UHFFFAOYSA-N -1 1 313.321 0.999 20 0 DCADMM COc1ncc(NC(=O)CCc2ccon2)cc1-c1nn[n-]n1 ZINC001580133716 1165512076 /nfs/dbraw/zinc/51/20/76/1165512076.db2.gz WJKURBLRRRWIQN-UHFFFAOYSA-N -1 1 315.293 0.830 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CCCC1 ZINC001580291376 1165559220 /nfs/dbraw/zinc/55/92/20/1165559220.db2.gz YYGJAYAZYOGABY-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC1CCC1 ZINC001580300271 1165562609 /nfs/dbraw/zinc/56/26/09/1165562609.db2.gz NTVVUULDRKUCKN-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC1CCC1 ZINC001580300271 1165562617 /nfs/dbraw/zinc/56/26/17/1165562617.db2.gz NTVVUULDRKUCKN-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CCOC[C@H]1C ZINC001580600798 1165651216 /nfs/dbraw/zinc/65/12/16/1165651216.db2.gz IODVDMVIPNQSAO-SCZZXKLOSA-N -1 1 318.337 0.431 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCOC[C@@H]1C ZINC001580600799 1165651671 /nfs/dbraw/zinc/65/16/71/1165651671.db2.gz IODVDMVIPNQSAO-WCBMZHEXSA-N -1 1 318.337 0.431 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC[C@@H](O)C1CC1 ZINC001580605866 1165654092 /nfs/dbraw/zinc/65/40/92/1165654092.db2.gz NCZYWDAYTPSBGT-SNVBAGLBSA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1c[nH]ccc1=O ZINC001580609514 1165655448 /nfs/dbraw/zinc/65/54/48/1165655448.db2.gz ZCBMZFYTQGHSQG-UHFFFAOYSA-N -1 1 313.277 0.216 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H](C)NC(=O)C2CC2)n1 ZINC001580630815 1165667059 /nfs/dbraw/zinc/66/70/59/1165667059.db2.gz CGWQDWXVBKNNCO-SECBINFHSA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H](C)NC(=O)C2CC2)n1 ZINC001580630815 1165667062 /nfs/dbraw/zinc/66/70/62/1165667062.db2.gz CGWQDWXVBKNNCO-SECBINFHSA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)no1 ZINC001580920114 1165757011 /nfs/dbraw/zinc/75/70/11/1165757011.db2.gz DQCDPPDVFKCROG-UHFFFAOYSA-N -1 1 314.309 0.945 20 0 DCADMM Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001581171199 1165792725 /nfs/dbraw/zinc/79/27/25/1165792725.db2.gz YDYNWCXEBIFMIB-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1cnc(COCC(=O)Nc2c[nH]nc2-c2nn[n-]n2)o1 ZINC001581321771 1165812818 /nfs/dbraw/zinc/81/28/18/1165812818.db2.gz OBSDISYNXFXIEB-UHFFFAOYSA-N -1 1 304.270 0.042 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)n1 ZINC001581410980 1165823016 /nfs/dbraw/zinc/82/30/16/1165823016.db2.gz GAKMXOQUDRODTD-BIMULSAOSA-N -1 1 315.381 0.951 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)n1 ZINC001581410980 1165823018 /nfs/dbraw/zinc/82/30/18/1165823018.db2.gz GAKMXOQUDRODTD-BIMULSAOSA-N -1 1 315.381 0.951 20 0 DCADMM Cc1nc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c(C)o1 ZINC001581454314 1165830751 /nfs/dbraw/zinc/83/07/51/1165830751.db2.gz TXJDQDYOFMHCQL-LURJTMIESA-N -1 1 318.297 0.367 20 0 DCADMM Cc1nonc1Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001581655557 1165856769 /nfs/dbraw/zinc/85/67/69/1165856769.db2.gz DDLULBPGKISEDY-UHFFFAOYSA-N -1 1 315.318 0.983 20 0 DCADMM Cc1nsc(NC(=O)NCc2ccncn2)c1-c1nnn[n-]1 ZINC001581686949 1165859448 /nfs/dbraw/zinc/85/94/48/1165859448.db2.gz WOVNYUQWEDOWCA-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nsc(NC(=O)NCc2ccncn2)c1-c1nn[n-]n1 ZINC001581686949 1165859458 /nfs/dbraw/zinc/85/94/58/1165859458.db2.gz WOVNYUQWEDOWCA-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](CO)c1cccnc1 ZINC001581726999 1165861233 /nfs/dbraw/zinc/86/12/33/1165861233.db2.gz DYZNIVKLGNWHFL-NSHDSACASA-N -1 1 314.305 0.627 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](CO)c1cccnc1 ZINC001581726999 1165861241 /nfs/dbraw/zinc/86/12/41/1165861241.db2.gz DYZNIVKLGNWHFL-NSHDSACASA-N -1 1 314.305 0.627 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001581727423 1165862027 /nfs/dbraw/zinc/86/20/27/1165862027.db2.gz WXAOBFHRHSQTKY-VIFPVBQESA-N -1 1 319.321 0.794 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001581727423 1165862030 /nfs/dbraw/zinc/86/20/30/1165862030.db2.gz WXAOBFHRHSQTKY-VIFPVBQESA-N -1 1 319.321 0.794 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC/C=C/c2ccccc2)c1=O ZINC001581753719 1165867170 /nfs/dbraw/zinc/86/71/70/1165867170.db2.gz POWGLIICTZWSRE-WEVVVXLNSA-N -1 1 324.344 0.831 20 0 DCADMM Cn1cc(CCC(=O)NCc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001581768751 1165869659 /nfs/dbraw/zinc/86/96/59/1165869659.db2.gz MVARLALBSTVARR-UHFFFAOYSA-N -1 1 318.366 0.306 20 0 DCADMM Cn1cc(C(=O)CNC(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001581754601 1165871712 /nfs/dbraw/zinc/87/17/12/1165871712.db2.gz DMQVNSRXMLVWGE-UHFFFAOYSA-N -1 1 317.334 0.274 20 0 DCADMM Cn1cc(C(=O)CNC(=O)c2ccsc2-c2nn[n-]n2)cn1 ZINC001581754601 1165871720 /nfs/dbraw/zinc/87/17/20/1165871720.db2.gz DMQVNSRXMLVWGE-UHFFFAOYSA-N -1 1 317.334 0.274 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](CO)CC2CC2)n1 ZINC001581754627 1165871930 /nfs/dbraw/zinc/87/19/30/1165871930.db2.gz YXBBKBOMBVXXSP-SECBINFHSA-N -1 1 320.357 0.130 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](CO)CC2CC2)n1 ZINC001581754627 1165871932 /nfs/dbraw/zinc/87/19/32/1165871932.db2.gz YXBBKBOMBVXXSP-SECBINFHSA-N -1 1 320.357 0.130 20 0 DCADMM Cn1ncc2c1CCCN(C(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001581833752 1165884214 /nfs/dbraw/zinc/88/42/14/1165884214.db2.gz DUEOPJZROCJYIJ-UHFFFAOYSA-N -1 1 324.348 0.584 20 0 DCADMM Cn1ncc2c1CCCN(C(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001581833752 1165884220 /nfs/dbraw/zinc/88/42/20/1165884220.db2.gz DUEOPJZROCJYIJ-UHFFFAOYSA-N -1 1 324.348 0.584 20 0 DCADMM Cn1nnc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1C(F)F ZINC001581845460 1165885390 /nfs/dbraw/zinc/88/53/90/1165885390.db2.gz DIKFQHPRSQGWNW-UHFFFAOYSA-N -1 1 321.251 0.580 20 0 DCADMM Cn1nnc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1C(F)F ZINC001581845460 1165885396 /nfs/dbraw/zinc/88/53/96/1165885396.db2.gz DIKFQHPRSQGWNW-UHFFFAOYSA-N -1 1 321.251 0.580 20 0 DCADMM NC(=O)CC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001581889341 1165907337 /nfs/dbraw/zinc/90/73/37/1165907337.db2.gz HHQRNOFSHUUBIE-UHFFFAOYSA-N -1 1 306.351 0.314 20 0 DCADMM NC(=O)CC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001581889341 1165907342 /nfs/dbraw/zinc/90/73/42/1165907342.db2.gz HHQRNOFSHUUBIE-UHFFFAOYSA-N -1 1 306.351 0.314 20 0 DCADMM NC(=O)NC[C@H]1CCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001581896308 1165907734 /nfs/dbraw/zinc/90/77/34/1165907734.db2.gz CEGLZUDRKVUUBM-SECBINFHSA-N -1 1 319.325 0.123 20 0 DCADMM NC(=O)NC[C@H]1CCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001581896308 1165907739 /nfs/dbraw/zinc/90/77/39/1165907739.db2.gz CEGLZUDRKVUUBM-SECBINFHSA-N -1 1 319.325 0.123 20 0 DCADMM Nc1nc(Cl)c(N)c(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001581910491 1165911833 /nfs/dbraw/zinc/91/18/33/1165911833.db2.gz SWMZSDKEHRIOLJ-UHFFFAOYSA-N -1 1 324.761 0.543 20 0 DCADMM Nc1nc(Cl)c(N)c(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001581910491 1165911840 /nfs/dbraw/zinc/91/18/40/1165911840.db2.gz SWMZSDKEHRIOLJ-UHFFFAOYSA-N -1 1 324.761 0.543 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H](CO)c1ccccc1 ZINC001582138394 1165966977 /nfs/dbraw/zinc/96/69/77/1165966977.db2.gz CGIAKNFRPFDRMV-CQSZACIVSA-N -1 1 324.344 0.654 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H](CO)c1ccccc1 ZINC001582138394 1165966986 /nfs/dbraw/zinc/96/69/86/1165966986.db2.gz CGIAKNFRPFDRMV-CQSZACIVSA-N -1 1 324.344 0.654 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NN1C[C@@H]2CCC[C@H]2C1 ZINC001582139638 1165968401 /nfs/dbraw/zinc/96/84/01/1165968401.db2.gz ZJLJVLDDIJWARQ-RYUDHWBXSA-N -1 1 313.365 0.567 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NN1C[C@@H]2CCC[C@H]2C1 ZINC001582139638 1165968406 /nfs/dbraw/zinc/96/84/06/1165968406.db2.gz ZJLJVLDDIJWARQ-RYUDHWBXSA-N -1 1 313.365 0.567 20 0 DCADMM O=C(Cc1ccc2c(c1)OCO2)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582143775 1165969090 /nfs/dbraw/zinc/96/90/90/1165969090.db2.gz YFMCYACGAOWTTD-UHFFFAOYSA-N -1 1 313.277 0.500 20 0 DCADMM O=C(Cc1ccc2c(c1)OCO2)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582143775 1165969094 /nfs/dbraw/zinc/96/90/94/1165969094.db2.gz YFMCYACGAOWTTD-UHFFFAOYSA-N -1 1 313.277 0.500 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cncc(C(F)F)c1 ZINC001582199745 1165982591 /nfs/dbraw/zinc/98/25/91/1165982591.db2.gz XUHOGDSHSHWAAU-UHFFFAOYSA-N -1 1 321.251 0.430 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1ccsc1-c1nnn[n-]1 ZINC001582233606 1165988764 /nfs/dbraw/zinc/98/87/64/1165988764.db2.gz ZCIFPSXNASGQBH-SNVBAGLBSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1ccsc1-c1nn[n-]n1 ZINC001582233606 1165988771 /nfs/dbraw/zinc/98/87/71/1165988771.db2.gz ZCIFPSXNASGQBH-SNVBAGLBSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC1(CO)CCSCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582244825 1165990698 /nfs/dbraw/zinc/99/06/98/1165990698.db2.gz IIVCXMRIHFYMNB-UHFFFAOYSA-N -1 1 320.378 0.250 20 0 DCADMM O=C(NC1(CO)CCSCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582244825 1165990705 /nfs/dbraw/zinc/99/07/05/1165990705.db2.gz IIVCXMRIHFYMNB-UHFFFAOYSA-N -1 1 320.378 0.250 20 0 DCADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001582317775 1166000718 /nfs/dbraw/zinc/00/07/18/1166000718.db2.gz PDSKHPALJSVHII-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001582426107 1166016824 /nfs/dbraw/zinc/01/68/24/1166016824.db2.gz SINAKFSUHHWHLY-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001582426107 1166016830 /nfs/dbraw/zinc/01/68/30/1166016830.db2.gz SINAKFSUHHWHLY-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001582614272 1166053731 /nfs/dbraw/zinc/05/37/31/1166053731.db2.gz QUNDXCNXGAJESR-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001582614272 1166053740 /nfs/dbraw/zinc/05/37/40/1166053740.db2.gz QUNDXCNXGAJESR-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc(=O)[nH]c(C2CC2)n1 ZINC001582630288 1166054909 /nfs/dbraw/zinc/05/49/09/1166054909.db2.gz JMMAJZBSGGZIMQ-UHFFFAOYSA-N -1 1 313.281 0.215 20 0 DCADMM O=C(Nc1ccnn1CCO)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582644844 1166058522 /nfs/dbraw/zinc/05/85/22/1166058522.db2.gz HIWYHFSTWBKHRV-UHFFFAOYSA-N -1 1 315.297 0.095 20 0 DCADMM O=C(Nc1ccnn1CCO)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582644844 1166058528 /nfs/dbraw/zinc/05/85/28/1166058528.db2.gz HIWYHFSTWBKHRV-UHFFFAOYSA-N -1 1 315.297 0.095 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCN2CCOC[C@H]2C1 ZINC001582744686 1166074167 /nfs/dbraw/zinc/07/41/67/1166074167.db2.gz CVRRYMQKSPDWDE-SNVBAGLBSA-N -1 1 320.378 0.085 20 0 DCADMM OC[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC001582810798 1166090802 /nfs/dbraw/zinc/09/08/02/1166090802.db2.gz SVUKNRPDNVONEH-JTQLQIEISA-N -1 1 315.312 0.984 20 0 DCADMM OC[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC001582810798 1166090805 /nfs/dbraw/zinc/09/08/05/1166090805.db2.gz SVUKNRPDNVONEH-JTQLQIEISA-N -1 1 315.312 0.984 20 0 DCADMM OC1(c2ccc(F)cc2)CN(c2ncncc2-c2nn[n-]n2)C1 ZINC001582810700 1166091646 /nfs/dbraw/zinc/09/16/46/1166091646.db2.gz QFLPEPHGBLVDSL-UHFFFAOYSA-N -1 1 313.296 0.504 20 0 DCADMM O[C@@H]1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001582814486 1166094407 /nfs/dbraw/zinc/09/44/07/1166094407.db2.gz MRJWPTGLNZSIAC-JKUQZMGJSA-N -1 1 316.774 0.663 20 0 DCADMM c1cc(-c2nn[n-]n2)sc1CSc1nnc2[nH]cnn21 ZINC001582820674 1166098339 /nfs/dbraw/zinc/09/83/39/1166098339.db2.gz WMWZKKXITPAKNK-UHFFFAOYSA-N -1 1 305.352 0.986 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001583667034 1166278035 /nfs/dbraw/zinc/27/80/35/1166278035.db2.gz MXHQARVGMSRUFJ-JGVFFNPUSA-N -1 1 324.362 0.350 20 0 DCADMM C[C@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1cnccn1 ZINC001586106281 1166479125 /nfs/dbraw/zinc/47/91/25/1166479125.db2.gz XIRPNLDITZLWOZ-GWCFXTLKSA-N -1 1 309.333 0.999 20 0 DCADMM Cc1ccn2cc(C(=O)N3CCOC[C@@H]3c3nn[n-]n3)nc2c1 ZINC001586803740 1166499846 /nfs/dbraw/zinc/49/98/46/1166499846.db2.gz BJHKTKRXCBOOJI-LLVKDONJSA-N -1 1 313.321 0.370 20 0 DCADMM O=C([N-]c1nc2cnccn2n1)c1coc2c1C(=O)NCCC2 ZINC001588282131 1166519813 /nfs/dbraw/zinc/51/98/13/1166519813.db2.gz CMUJFQCHUGPEDG-UHFFFAOYSA-N -1 1 312.289 0.646 20 0 DCADMM CC(=O)[C@@H](C)CCOC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588781420 1166588509 /nfs/dbraw/zinc/58/85/09/1166588509.db2.gz AZZVYEYYTDUEKT-VIFPVBQESA-N -1 1 303.322 0.963 20 0 DCADMM CC(=O)[C@@H](C)CCOC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588781420 1166588520 /nfs/dbraw/zinc/58/85/20/1166588520.db2.gz AZZVYEYYTDUEKT-VIFPVBQESA-N -1 1 303.322 0.963 20 0 DCADMM CC(=O)CCCCOC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588791800 1166589778 /nfs/dbraw/zinc/58/97/78/1166589778.db2.gz AYAFBJXAVQEICH-SECBINFHSA-N -1 1 307.314 0.322 20 0 DCADMM CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588819084 1166597199 /nfs/dbraw/zinc/59/71/99/1166597199.db2.gz UJHMAKYPZNHOME-SNVBAGLBSA-N -1 1 302.342 0.470 20 0 DCADMM CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588819084 1166597208 /nfs/dbraw/zinc/59/72/08/1166597208.db2.gz UJHMAKYPZNHOME-SNVBAGLBSA-N -1 1 302.342 0.470 20 0 DCADMM CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001588818200 1166597329 /nfs/dbraw/zinc/59/73/29/1166597329.db2.gz CZKKTCVBCHRBET-MWLCHTKSSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001588818200 1166597336 /nfs/dbraw/zinc/59/73/36/1166597336.db2.gz CZKKTCVBCHRBET-MWLCHTKSSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588854952 1166609216 /nfs/dbraw/zinc/60/92/16/1166609216.db2.gz NVDDVOHSBCDQIB-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CC(=O)NCCCCCn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001588861988 1166611504 /nfs/dbraw/zinc/61/15/04/1166611504.db2.gz LUVXHQUGOXRUQN-UHFFFAOYSA-N -1 1 302.342 0.622 20 0 DCADMM C[C@@H](C(=O)N(C)C[Si](C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588942126 1166622060 /nfs/dbraw/zinc/62/20/60/1166622060.db2.gz XYDXMBICCVVKFU-QMMMGPOBSA-N -1 1 308.422 0.355 20 0 DCADMM C[C@H](C(=O)NCc1cccc(F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588997377 1166626207 /nfs/dbraw/zinc/62/62/07/1166626207.db2.gz CWACUZPPVPFIRC-MRVPVSSYSA-N -1 1 316.300 0.475 20 0 DCADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCC(=O)N1 ZINC001589011733 1166626338 /nfs/dbraw/zinc/62/63/38/1166626338.db2.gz KMLWCSXRBOXTSN-APPZFPTMSA-N -1 1 316.321 0.426 20 0 DCADMM C[C@H](C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21)n1cnc(-c2nn[n-]n2)n1 ZINC001588984173 1166626740 /nfs/dbraw/zinc/62/67/40/1166626740.db2.gz VPQRKCRRGONFRL-VPOLOUISSA-N -1 1 316.369 0.572 20 0 DCADMM C[C@H](C(=O)Nc1cccc(F)n1)n1cnc(-c2nn[n-]n2)n1 ZINC001589018702 1166628379 /nfs/dbraw/zinc/62/83/79/1166628379.db2.gz LELHYMBVZIPMBH-ZCFIWIBFSA-N -1 1 303.261 0.192 20 0 DCADMM C[C@H](C(=O)OC[C@]1(C)CCCO1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028627 1166631419 /nfs/dbraw/zinc/63/14/19/1166631419.db2.gz XCVLIGGROOGOFD-PELKAZGASA-N -1 1 307.314 0.132 20 0 DCADMM C[C@H](C(=O)Oc1cc(F)cc(F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589032040 1166631782 /nfs/dbraw/zinc/63/17/82/1166631782.db2.gz FVAMBVDFTUWQAQ-ZCFIWIBFSA-N -1 1 321.247 0.903 20 0 DCADMM CC(C)(C)[C@@H]1NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001589107023 1166634882 /nfs/dbraw/zinc/63/48/82/1166634882.db2.gz QTSLALFJVWKDSR-MRVPVSSYSA-N -1 1 321.366 0.790 20 0 DCADMM CC(C)(C)[C@@H]1NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001589107023 1166634886 /nfs/dbraw/zinc/63/48/86/1166634886.db2.gz QTSLALFJVWKDSR-MRVPVSSYSA-N -1 1 321.366 0.790 20 0 DCADMM CC(C)(C)CC(=O)NCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589111302 1166635665 /nfs/dbraw/zinc/63/56/65/1166635665.db2.gz CBBXUCAJACANKU-UHFFFAOYSA-N -1 1 306.330 0.081 20 0 DCADMM CC(C)(C)CC(=O)NCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589111302 1166635669 /nfs/dbraw/zinc/63/56/69/1166635669.db2.gz CBBXUCAJACANKU-UHFFFAOYSA-N -1 1 306.330 0.081 20 0 DCADMM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589095279 1166635778 /nfs/dbraw/zinc/63/57/78/1166635778.db2.gz IOLYMDJCXPIZCU-GXSJLCMTSA-N -1 1 323.353 0.348 20 0 DCADMM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589095279 1166635779 /nfs/dbraw/zinc/63/57/79/1166635779.db2.gz IOLYMDJCXPIZCU-GXSJLCMTSA-N -1 1 323.353 0.348 20 0 DCADMM CC(C)(C)OC(=O)[C@](C)(O)CNc1nccnc1-c1nnn[n-]1 ZINC001589144947 1166637601 /nfs/dbraw/zinc/63/76/01/1166637601.db2.gz AJGZAHLUGXTOFL-CYBMUJFWSA-N -1 1 321.341 0.161 20 0 DCADMM CC(C)(C)OC(=O)[C@](C)(O)CNc1nccnc1-c1nn[n-]n1 ZINC001589144947 1166637608 /nfs/dbraw/zinc/63/76/08/1166637608.db2.gz AJGZAHLUGXTOFL-CYBMUJFWSA-N -1 1 321.341 0.161 20 0 DCADMM CC(C)(C)OC(=O)[C@](C)(O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001589145263 1166637789 /nfs/dbraw/zinc/63/77/89/1166637789.db2.gz MBQRISCYZVABSG-CYBMUJFWSA-N -1 1 321.341 0.161 20 0 DCADMM CC(C)(C)OC(=O)[C@](C)(O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001589145263 1166637793 /nfs/dbraw/zinc/63/77/93/1166637793.db2.gz MBQRISCYZVABSG-CYBMUJFWSA-N -1 1 321.341 0.161 20 0 DCADMM CC(C)(CCCO)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589276576 1166643229 /nfs/dbraw/zinc/64/32/29/1166643229.db2.gz TTYBRCROIBYLRI-UHFFFAOYSA-N -1 1 304.354 0.790 20 0 DCADMM CC(C)(CCCO)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589276576 1166643232 /nfs/dbraw/zinc/64/32/32/1166643232.db2.gz TTYBRCROIBYLRI-UHFFFAOYSA-N -1 1 304.354 0.790 20 0 DCADMM CC(C)(CO)ONC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001589298872 1166645475 /nfs/dbraw/zinc/64/54/75/1166645475.db2.gz FMASRAZVXBSFED-UHFFFAOYSA-N -1 1 316.321 0.780 20 0 DCADMM CC(C)(COC(=O)c1coc(-c2nnn[n-]2)c1)N1CCNC1=O ZINC001589299198 1166645560 /nfs/dbraw/zinc/64/55/60/1166645560.db2.gz HOTFPPVPXIPFMY-UHFFFAOYSA-N -1 1 320.309 0.420 20 0 DCADMM CC(C)(COC(=O)c1coc(-c2nn[n-]n2)c1)N1CCNC1=O ZINC001589299198 1166645567 /nfs/dbraw/zinc/64/55/67/1166645567.db2.gz HOTFPPVPXIPFMY-UHFFFAOYSA-N -1 1 320.309 0.420 20 0 DCADMM CC(C)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589401175 1166655373 /nfs/dbraw/zinc/65/53/73/1166655373.db2.gz FQVUXVCAUPFJPS-VIFPVBQESA-N -1 1 302.342 0.326 20 0 DCADMM CC(C)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589401175 1166655378 /nfs/dbraw/zinc/65/53/78/1166655378.db2.gz FQVUXVCAUPFJPS-VIFPVBQESA-N -1 1 302.342 0.326 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001589411395 1166656346 /nfs/dbraw/zinc/65/63/46/1166656346.db2.gz LTJAVALBAOYDKM-SECBINFHSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001589411395 1166656350 /nfs/dbraw/zinc/65/63/50/1166656350.db2.gz LTJAVALBAOYDKM-SECBINFHSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)C[C@H](C(N)=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001589542105 1166665162 /nfs/dbraw/zinc/66/51/62/1166665162.db2.gz UFYVORPLYZFQLG-SECBINFHSA-N -1 1 318.337 0.658 20 0 DCADMM CC(C)CNC(=O)[C@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589633326 1166669390 /nfs/dbraw/zinc/66/93/90/1166669390.db2.gz XGEFCDLTHMZRDV-VIFPVBQESA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)CNC(=O)[C@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589633326 1166669394 /nfs/dbraw/zinc/66/93/94/1166669394.db2.gz XGEFCDLTHMZRDV-VIFPVBQESA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)OC(=O)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589733426 1166679186 /nfs/dbraw/zinc/67/91/86/1166679186.db2.gz QPSGTVIUDRUVSY-UHFFFAOYSA-N -1 1 305.298 0.335 20 0 DCADMM CC(C)OC(=O)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589733426 1166679192 /nfs/dbraw/zinc/67/91/92/1166679192.db2.gz QPSGTVIUDRUVSY-UHFFFAOYSA-N -1 1 305.298 0.335 20 0 DCADMM CC(C)[C@H](CO)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589764066 1166682529 /nfs/dbraw/zinc/68/25/29/1166682529.db2.gz REJRGWUPJOOWOS-JTQLQIEISA-N -1 1 311.292 0.892 20 0 DCADMM CC(C)[C@H](CO)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589764066 1166682537 /nfs/dbraw/zinc/68/25/37/1166682537.db2.gz REJRGWUPJOOWOS-JTQLQIEISA-N -1 1 311.292 0.892 20 0 DCADMM CC(C)n1[nH]cnc1=NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589785591 1166689145 /nfs/dbraw/zinc/68/91/45/1166689145.db2.gz MICSPUQPMVJNNQ-UHFFFAOYSA-N -1 1 304.339 0.775 20 0 DCADMM CC(C)n1[nH]cnc1=NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589785591 1166689152 /nfs/dbraw/zinc/68/91/52/1166689152.db2.gz MICSPUQPMVJNNQ-UHFFFAOYSA-N -1 1 304.339 0.775 20 0 DCADMM C[C@@H](CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1)[S@](C)=O ZINC001589824828 1166693616 /nfs/dbraw/zinc/69/36/16/1166693616.db2.gz CUONQMXEDLTWHG-ZCAPAMDOSA-N -1 1 323.382 0.540 20 0 DCADMM C[C@@H](CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1)[S@](C)=O ZINC001589824828 1166693619 /nfs/dbraw/zinc/69/36/19/1166693619.db2.gz CUONQMXEDLTWHG-ZCAPAMDOSA-N -1 1 323.382 0.540 20 0 DCADMM C[C@@H](CCO)C1(CNc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001589834073 1166695534 /nfs/dbraw/zinc/69/55/34/1166695534.db2.gz ZZQHSNNWIANHNS-JTQLQIEISA-N -1 1 303.370 0.679 20 0 DCADMM C[C@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)c1ncon1 ZINC001589865899 1166702094 /nfs/dbraw/zinc/70/20/94/1166702094.db2.gz ZQUHPTLBBIWYJP-SSDOTTSWSA-N -1 1 300.282 0.178 20 0 DCADMM C[C@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)c1ncon1 ZINC001589865899 1166702105 /nfs/dbraw/zinc/70/21/05/1166702105.db2.gz ZQUHPTLBBIWYJP-SSDOTTSWSA-N -1 1 300.282 0.178 20 0 DCADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)c1nncn1C ZINC001589864045 1166702453 /nfs/dbraw/zinc/70/24/53/1166702453.db2.gz KBLKBAXJGVQICN-SSDOTTSWSA-N -1 1 302.298 0.122 20 0 DCADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)c1nncn1C ZINC001589864045 1166702458 /nfs/dbraw/zinc/70/24/58/1166702458.db2.gz KBLKBAXJGVQICN-SSDOTTSWSA-N -1 1 302.298 0.122 20 0 DCADMM CC(F)(F)CC(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001589906921 1166714041 /nfs/dbraw/zinc/71/40/41/1166714041.db2.gz RLFMDJQYOVUARJ-UHFFFAOYSA-N -1 1 312.284 0.230 20 0 DCADMM CC(F)(F)CC(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001589906921 1166714048 /nfs/dbraw/zinc/71/40/48/1166714048.db2.gz RLFMDJQYOVUARJ-UHFFFAOYSA-N -1 1 312.284 0.230 20 0 DCADMM C[C@H](N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)(C)O ZINC001589912352 1166716833 /nfs/dbraw/zinc/71/68/33/1166716833.db2.gz VNHMQHMKJGLVMH-ZETCQYMHSA-N -1 1 308.346 0.223 20 0 DCADMM C[C@H](N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)(C)O ZINC001589912352 1166716836 /nfs/dbraw/zinc/71/68/36/1166716836.db2.gz VNHMQHMKJGLVMH-ZETCQYMHSA-N -1 1 308.346 0.223 20 0 DCADMM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001589918413 1166719626 /nfs/dbraw/zinc/71/96/26/1166719626.db2.gz JVMWBYPCVZNJLF-IUCAKERBSA-N -1 1 313.325 0.292 20 0 DCADMM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1nccc(N)n1 ZINC001589946073 1166728393 /nfs/dbraw/zinc/72/83/93/1166728393.db2.gz LKFLFNAZUSHIIB-SSDOTTSWSA-N -1 1 311.309 0.125 20 0 DCADMM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1nccc(N)n1 ZINC001589946073 1166728396 /nfs/dbraw/zinc/72/83/96/1166728396.db2.gz LKFLFNAZUSHIIB-SSDOTTSWSA-N -1 1 311.309 0.125 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ncnn1C ZINC001589945010 1166728435 /nfs/dbraw/zinc/72/84/35/1166728435.db2.gz BZNGZLNSEMHOAK-ZCFIWIBFSA-N -1 1 304.339 0.548 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ncnn1C ZINC001589945010 1166728443 /nfs/dbraw/zinc/72/84/43/1166728443.db2.gz BZNGZLNSEMHOAK-ZCFIWIBFSA-N -1 1 304.339 0.548 20 0 DCADMM C[C@H](O)C[C@@H]1CCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001589996409 1166742406 /nfs/dbraw/zinc/74/24/06/1166742406.db2.gz IKTCBWYKHFOVMM-QWRGUYRKSA-N -1 1 304.354 0.221 20 0 DCADMM C[C@]1(C(F)(F)F)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001590072639 1166764951 /nfs/dbraw/zinc/76/49/51/1166764951.db2.gz HVFZLGLCDSQJNG-SNVBAGLBSA-N -1 1 315.259 0.814 20 0 DCADMM C[C@]1(C(F)(F)F)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001590072639 1166764959 /nfs/dbraw/zinc/76/49/59/1166764959.db2.gz HVFZLGLCDSQJNG-SNVBAGLBSA-N -1 1 315.259 0.814 20 0 DCADMM CC1(C)C[C@@]1(C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590087600 1166771934 /nfs/dbraw/zinc/77/19/34/1166771934.db2.gz UNCQDAHUZJFROV-CQSZACIVSA-N -1 1 315.337 0.505 20 0 DCADMM CC1(C)C[C@@]1(C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590087600 1166771940 /nfs/dbraw/zinc/77/19/40/1166771940.db2.gz UNCQDAHUZJFROV-CQSZACIVSA-N -1 1 315.337 0.505 20 0 DCADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@]2(CCOC2)O1 ZINC001590108539 1166777643 /nfs/dbraw/zinc/77/76/43/1166777643.db2.gz WGJGBWPOTSAATJ-CQSZACIVSA-N -1 1 317.353 0.431 20 0 DCADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@]2(CCOC2)O1 ZINC001590108539 1166777650 /nfs/dbraw/zinc/77/76/50/1166777650.db2.gz WGJGBWPOTSAATJ-CQSZACIVSA-N -1 1 317.353 0.431 20 0 DCADMM CC1(C)C[C@@H]1C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001590111615 1166778177 /nfs/dbraw/zinc/77/81/77/1166778177.db2.gz GWEJMSYMOAFQDZ-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM CC1(C)C[C@@H]1C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001590111615 1166778186 /nfs/dbraw/zinc/77/81/86/1166778186.db2.gz GWEJMSYMOAFQDZ-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@]1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCO1 ZINC001590132987 1166786130 /nfs/dbraw/zinc/78/61/30/1166786130.db2.gz XRAOKXZVANNNAX-CQSZACIVSA-N -1 1 302.338 0.951 20 0 DCADMM C[C@]1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCO1 ZINC001590132987 1166786135 /nfs/dbraw/zinc/78/61/35/1166786135.db2.gz XRAOKXZVANNNAX-CQSZACIVSA-N -1 1 302.338 0.951 20 0 DCADMM C[C@H]1[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)CC(=O)N1C ZINC001590181237 1166801307 /nfs/dbraw/zinc/80/13/07/1166801307.db2.gz MYKNSGDKFNRBGA-XVKPBYJWSA-N -1 1 302.294 0.038 20 0 DCADMM C[C@H]1[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)CC(=O)N1C ZINC001590181237 1166801313 /nfs/dbraw/zinc/80/13/13/1166801313.db2.gz MYKNSGDKFNRBGA-XVKPBYJWSA-N -1 1 302.294 0.038 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)[C@H](C)O1 ZINC001590192413 1166807526 /nfs/dbraw/zinc/80/75/26/1166807526.db2.gz DBHJNCFZOQBJHO-KXUCPTDWSA-N -1 1 302.338 0.805 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](C)O1 ZINC001590192413 1166807531 /nfs/dbraw/zinc/80/75/31/1166807531.db2.gz DBHJNCFZOQBJHO-KXUCPTDWSA-N -1 1 302.338 0.805 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001590198539 1166810543 /nfs/dbraw/zinc/81/05/43/1166810543.db2.gz CUKTWLDAQZQUQP-HTQZYQBOSA-N -1 1 308.367 0.905 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001590214794 1166814840 /nfs/dbraw/zinc/81/48/40/1166814840.db2.gz CGDGRMKMGMWXLD-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001590214794 1166814846 /nfs/dbraw/zinc/81/48/46/1166814846.db2.gz CGDGRMKMGMWXLD-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590213451 1166814858 /nfs/dbraw/zinc/81/48/58/1166814858.db2.gz APWLQZPVGOXBBD-HTQZYQBOSA-N -1 1 304.358 0.219 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590213451 1166814862 /nfs/dbraw/zinc/81/48/62/1166814862.db2.gz APWLQZPVGOXBBD-HTQZYQBOSA-N -1 1 304.358 0.219 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590214806 1166815006 /nfs/dbraw/zinc/81/50/06/1166815006.db2.gz CUNXKIWSFIMLOU-NBYFHADBSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590214806 1166815013 /nfs/dbraw/zinc/81/50/13/1166815013.db2.gz CUNXKIWSFIMLOU-NBYFHADBSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@@H]1CCC[C@@H](C)N1C(=O)COc1cnc(-c2nn[n-]n2)nc1 ZINC001590243751 1166826882 /nfs/dbraw/zinc/82/68/82/1166826882.db2.gz MZYSQZQSGZHJQM-NXEZZACHSA-N -1 1 317.353 0.825 20 0 DCADMM C[C@H]1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC001590272485 1166835174 /nfs/dbraw/zinc/83/51/74/1166835174.db2.gz PXOWRXDFPVVGFG-JTQLQIEISA-N -1 1 322.394 0.271 20 0 DCADMM C[C@H]1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC001590272485 1166835183 /nfs/dbraw/zinc/83/51/83/1166835183.db2.gz PXOWRXDFPVVGFG-JTQLQIEISA-N -1 1 322.394 0.271 20 0 DCADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC001590274267 1166835992 /nfs/dbraw/zinc/83/59/92/1166835992.db2.gz HZYIZLXUOYVHJD-SECBINFHSA-N -1 1 308.367 0.275 20 0 DCADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)CCS1(=O)=O ZINC001590274267 1166835993 /nfs/dbraw/zinc/83/59/93/1166835993.db2.gz HZYIZLXUOYVHJD-SECBINFHSA-N -1 1 308.367 0.275 20 0 DCADMM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590277401 1166837999 /nfs/dbraw/zinc/83/79/99/1166837999.db2.gz ILQLDTHVSVEPFY-HTRCEHHLSA-N -1 1 306.351 0.183 20 0 DCADMM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590277401 1166838003 /nfs/dbraw/zinc/83/80/03/1166838003.db2.gz ILQLDTHVSVEPFY-HTRCEHHLSA-N -1 1 306.351 0.183 20 0 DCADMM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590277363 1166838201 /nfs/dbraw/zinc/83/82/01/1166838201.db2.gz HQZCXYRGQVQZOR-MUWHJKNJSA-N -1 1 306.351 0.183 20 0 DCADMM C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590322714 1166862018 /nfs/dbraw/zinc/86/20/18/1166862018.db2.gz IZNAMESXSDYTME-HTRCEHHLSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590322714 1166862023 /nfs/dbraw/zinc/86/20/23/1166862023.db2.gz IZNAMESXSDYTME-HTRCEHHLSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CO[C@H](C(F)(F)F)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590321278 1166862033 /nfs/dbraw/zinc/86/20/33/1166862033.db2.gz CFJAZUNLNHHNKY-XPUUQOCRSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CO[C@H](C(F)(F)F)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590321278 1166862037 /nfs/dbraw/zinc/86/20/37/1166862037.db2.gz CFJAZUNLNHHNKY-XPUUQOCRSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H](C(=O)N1CCSC[C@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590325284 1166864819 /nfs/dbraw/zinc/86/48/19/1166864819.db2.gz BVTFAZXLAKMJSC-RKDXNWHRSA-N -1 1 322.398 0.231 20 0 DCADMM C[C@@H]1CO[C@H](CO)CN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590325274 1166865180 /nfs/dbraw/zinc/86/51/80/1166865180.db2.gz XBSMQJXAQVURPH-APPZFPTMSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@@H]1CSCCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590328737 1166869186 /nfs/dbraw/zinc/86/91/86/1166869186.db2.gz IUKCWOXMEGPVKW-MRVPVSSYSA-N -1 1 322.398 0.960 20 0 DCADMM C[C@@H]1CSCCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590328737 1166869190 /nfs/dbraw/zinc/86/91/90/1166869190.db2.gz IUKCWOXMEGPVKW-MRVPVSSYSA-N -1 1 322.398 0.960 20 0 DCADMM C/C=C(/C)C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590345029 1166878229 /nfs/dbraw/zinc/87/82/29/1166878229.db2.gz HBZMPYRXAHPIEE-ZUYFITGHSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(/C)C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590345029 1166878235 /nfs/dbraw/zinc/87/82/35/1166878235.db2.gz HBZMPYRXAHPIEE-ZUYFITGHSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(\C)C(=O)NCC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590347356 1166879590 /nfs/dbraw/zinc/87/95/90/1166879590.db2.gz PCYAPKQFZIQCEN-WXLQGSQKSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(\C)C(=O)NCC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590347356 1166879602 /nfs/dbraw/zinc/87/96/02/1166879602.db2.gz PCYAPKQFZIQCEN-WXLQGSQKSA-N -1 1 316.369 0.930 20 0 DCADMM CC=CC[C@@H]1NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001590354787 1166880793 /nfs/dbraw/zinc/88/07/93/1166880793.db2.gz MYCNKHUICXYRSV-AIYRYJHASA-N -1 1 319.350 0.710 20 0 DCADMM CC=CC[C@@H]1NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001590354787 1166880801 /nfs/dbraw/zinc/88/08/01/1166880801.db2.gz MYCNKHUICXYRSV-AIYRYJHASA-N -1 1 319.350 0.710 20 0 DCADMM C/C=C/C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001590352232 1166882363 /nfs/dbraw/zinc/88/23/63/1166882363.db2.gz JZLXXXWJLZXYFD-ONEGZZNKSA-N -1 1 319.394 0.856 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001590361124 1166884913 /nfs/dbraw/zinc/88/49/13/1166884913.db2.gz UDLWVVQNFWZXKH-SNVBAGLBSA-N -1 1 301.354 0.993 20 0 DCADMM CCC(=O)NC[C@@H](CC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590364153 1166887267 /nfs/dbraw/zinc/88/72/67/1166887267.db2.gz BRBHPRXTEROLAM-SECBINFHSA-N -1 1 304.358 0.682 20 0 DCADMM CCC(=O)NC[C@@H](CC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590364153 1166887272 /nfs/dbraw/zinc/88/72/72/1166887272.db2.gz BRBHPRXTEROLAM-SECBINFHSA-N -1 1 304.358 0.682 20 0 DCADMM CCC(CC)(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OC ZINC001590424041 1166903437 /nfs/dbraw/zinc/90/34/37/1166903437.db2.gz BQJDZAQLKLGQLU-UHFFFAOYSA-N -1 1 307.314 0.007 20 0 DCADMM CCC(CC)(CCO)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001590426775 1166903458 /nfs/dbraw/zinc/90/34/58/1166903458.db2.gz KNTPIYATHMNDPS-UHFFFAOYSA-N -1 1 322.369 0.763 20 0 DCADMM CCC(CC)(CCO)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001590426775 1166903465 /nfs/dbraw/zinc/90/34/65/1166903465.db2.gz KNTPIYATHMNDPS-UHFFFAOYSA-N -1 1 322.369 0.763 20 0 DCADMM CCC(CC)[C@@H](O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590433126 1166906705 /nfs/dbraw/zinc/90/67/05/1166906705.db2.gz YXWGLSKMNZWESU-ZDUSSCGKSA-N -1 1 318.381 0.718 20 0 DCADMM CCC(CC)[C@@H](O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590433126 1166906709 /nfs/dbraw/zinc/90/67/09/1166906709.db2.gz YXWGLSKMNZWESU-ZDUSSCGKSA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)NC ZINC001590459778 1166915071 /nfs/dbraw/zinc/91/50/71/1166915071.db2.gz QEHBQAQGILGKOA-SECBINFHSA-N -1 1 306.301 0.260 20 0 DCADMM CC[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)NC ZINC001590459778 1166915076 /nfs/dbraw/zinc/91/50/76/1166915076.db2.gz QEHBQAQGILGKOA-SECBINFHSA-N -1 1 306.301 0.260 20 0 DCADMM CCC1(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)COC1 ZINC001590493517 1166924296 /nfs/dbraw/zinc/92/42/96/1166924296.db2.gz XUHPVKKQKSJMQQ-UHFFFAOYSA-N -1 1 302.338 0.347 20 0 DCADMM CCC1(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)COC1 ZINC001590493517 1166924308 /nfs/dbraw/zinc/92/43/08/1166924308.db2.gz XUHPVKKQKSJMQQ-UHFFFAOYSA-N -1 1 302.338 0.347 20 0 DCADMM CC[C@@H]1CC[C@H](C)N1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590504479 1166927327 /nfs/dbraw/zinc/92/73/27/1166927327.db2.gz GEVDSECWAJVZDC-VHSXEESVSA-N -1 1 319.373 0.431 20 0 DCADMM CC[C@@H]1CCCC[C@@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590511358 1166928323 /nfs/dbraw/zinc/92/83/23/1166928323.db2.gz KKWVBVLGESSMIT-MNOVXSKESA-N -1 1 318.385 0.791 20 0 DCADMM CC[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001590518897 1166930840 /nfs/dbraw/zinc/93/08/40/1166930840.db2.gz QBCYNSRAEXWQSO-PSASIEDQSA-N -1 1 303.326 0.496 20 0 DCADMM CC[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001590518897 1166930844 /nfs/dbraw/zinc/93/08/44/1166930844.db2.gz QBCYNSRAEXWQSO-PSASIEDQSA-N -1 1 303.326 0.496 20 0 DCADMM CC[C@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)[C@@H](C)CO1 ZINC001590517754 1166931246 /nfs/dbraw/zinc/93/12/46/1166931246.db2.gz HUCVHLWVBPAEPA-WPRPVWTQSA-N -1 1 320.353 0.732 20 0 DCADMM CC[C@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)[C@@H](C)CO1 ZINC001590517754 1166931252 /nfs/dbraw/zinc/93/12/52/1166931252.db2.gz HUCVHLWVBPAEPA-WPRPVWTQSA-N -1 1 320.353 0.732 20 0 DCADMM CC/C=C(\C)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590526122 1166933481 /nfs/dbraw/zinc/93/34/81/1166933481.db2.gz WHBVIRJMCFYAHQ-BJMVGYQFSA-N -1 1 316.369 0.305 20 0 DCADMM CCCC(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590536451 1166938556 /nfs/dbraw/zinc/93/85/56/1166938556.db2.gz IYQPZJPJBNRXLS-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590536451 1166938564 /nfs/dbraw/zinc/93/85/64/1166938564.db2.gz IYQPZJPJBNRXLS-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCC[C@H]1CCCN1C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590568639 1166943806 /nfs/dbraw/zinc/94/38/06/1166943806.db2.gz FKHMSNQFWSMIAZ-ZJUUUORDSA-N -1 1 304.358 0.810 20 0 DCADMM CCCCC[C@@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590588366 1166947174 /nfs/dbraw/zinc/94/71/74/1166947174.db2.gz IYXCLTOLXMAILZ-SECBINFHSA-N -1 1 321.385 0.645 20 0 DCADMM CCCNC(=O)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590634742 1166954534 /nfs/dbraw/zinc/95/45/34/1166954534.db2.gz MLABBNNNGJOBTI-ZETCQYMHSA-N -1 1 308.367 0.573 20 0 DCADMM CCCNC(=O)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590634742 1166954539 /nfs/dbraw/zinc/95/45/39/1166954539.db2.gz MLABBNNNGJOBTI-ZETCQYMHSA-N -1 1 308.367 0.573 20 0 DCADMM CCN(CC)C(=O)[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590683006 1166970648 /nfs/dbraw/zinc/97/06/48/1166970648.db2.gz NSHSPTJUOSTSQF-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCN(CCNC(=O)C1CC1)c1nccnc1-c1nnn[n-]1 ZINC001590703528 1166978761 /nfs/dbraw/zinc/97/87/61/1166978761.db2.gz XLGLNLXYVRQFLS-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CCN(CCNC(=O)C1CC1)c1nccnc1-c1nn[n-]n1 ZINC001590703528 1166978765 /nfs/dbraw/zinc/97/87/65/1166978765.db2.gz XLGLNLXYVRQFLS-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CCOC(=O)c1cnn(Cc2cncc(C)c2)c1-c1nn[n-]n1 ZINC001590775608 1167015588 /nfs/dbraw/zinc/01/55/88/1167015588.db2.gz PWWNNNXDUTVVRW-UHFFFAOYSA-N -1 1 313.321 0.992 20 0 DCADMM CCOC(=O)c1cnn(Cc2nc(-c3nnn[n-]3)cs2)n1 ZINC001590775817 1167015708 /nfs/dbraw/zinc/01/57/08/1167015708.db2.gz RPFKSOFWDOYUGK-UHFFFAOYSA-N -1 1 306.311 0.140 20 0 DCADMM CCOC(=O)c1cnn(Cc2nc(-c3nn[n-]n3)cs2)n1 ZINC001590775817 1167015712 /nfs/dbraw/zinc/01/57/12/1167015712.db2.gz RPFKSOFWDOYUGK-UHFFFAOYSA-N -1 1 306.311 0.140 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590770455 1167016115 /nfs/dbraw/zinc/01/61/15/1167016115.db2.gz DIHHKEBNAPKCLO-JGVFFNPUSA-N -1 1 306.278 0.816 20 0 DCADMM CCOC(=O)c1cnn(CC(=O)C2(C)CC2)c1-c1nn[n-]n1 ZINC001590776477 1167016251 /nfs/dbraw/zinc/01/62/51/1167016251.db2.gz PMCRCKFYENVSGA-UHFFFAOYSA-N -1 1 304.310 0.609 20 0 DCADMM CCOC(CN(CC)c1cc(-c2nnn[n-]2)ncn1)OCC ZINC001590786461 1167019461 /nfs/dbraw/zinc/01/94/61/1167019461.db2.gz ZJKSHYLHRLNICF-UHFFFAOYSA-N -1 1 307.358 0.882 20 0 DCADMM CCOC(CN(CC)c1cc(-c2nn[n-]n2)ncn1)OCC ZINC001590786461 1167019464 /nfs/dbraw/zinc/01/94/64/1167019464.db2.gz ZJKSHYLHRLNICF-UHFFFAOYSA-N -1 1 307.358 0.882 20 0 DCADMM CCOC1CC(O)(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001590792609 1167020524 /nfs/dbraw/zinc/02/05/24/1167020524.db2.gz TXYOHTQRFHSPRB-UHFFFAOYSA-N -1 1 305.342 0.307 20 0 DCADMM CCOC1CC(O)(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001590792609 1167020529 /nfs/dbraw/zinc/02/05/29/1167020529.db2.gz TXYOHTQRFHSPRB-UHFFFAOYSA-N -1 1 305.342 0.307 20 0 DCADMM CCOCC1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590800376 1167024502 /nfs/dbraw/zinc/02/45/02/1167024502.db2.gz HYCAUUHHPQVJEA-UHFFFAOYSA-N -1 1 308.367 0.756 20 0 DCADMM CCOCC1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590800376 1167024504 /nfs/dbraw/zinc/02/45/04/1167024504.db2.gz HYCAUUHHPQVJEA-UHFFFAOYSA-N -1 1 308.367 0.756 20 0 DCADMM CCO/C=C/C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590797592 1167024986 /nfs/dbraw/zinc/02/49/86/1167024986.db2.gz XIHJTCUGYBZJGH-SOFGYWHQSA-N -1 1 320.357 0.113 20 0 DCADMM CCO/C=C/C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590797592 1167024994 /nfs/dbraw/zinc/02/49/94/1167024994.db2.gz XIHJTCUGYBZJGH-SOFGYWHQSA-N 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/nfs/dbraw/zinc/04/68/32/1167046832.db2.gz WBMMEJNHTYLWOP-ZDUSSCGKSA-N -1 1 321.316 0.311 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCOCC3(CC3)C2)n1 ZINC001590909026 1167048270 /nfs/dbraw/zinc/04/82/70/1167048270.db2.gz ZKFMWICELSJJPO-UHFFFAOYSA-N -1 1 301.354 0.836 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCOCC3(CC3)C2)n1 ZINC001590909026 1167048271 /nfs/dbraw/zinc/04/82/71/1167048271.db2.gz ZKFMWICELSJJPO-UHFFFAOYSA-N -1 1 301.354 0.836 20 0 DCADMM CCc1nc(NC[C@H](O)c2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001590918117 1167050741 /nfs/dbraw/zinc/05/07/41/1167050741.db2.gz QRHMPJZUOMDMLT-NSHDSACASA-N -1 1 312.337 0.760 20 0 DCADMM CCc1nc(NC[C@H](O)c2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001590918117 1167050747 /nfs/dbraw/zinc/05/07/47/1167050747.db2.gz QRHMPJZUOMDMLT-NSHDSACASA-N -1 1 312.337 0.760 20 0 DCADMM CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1nccs1 ZINC001590985989 1167066004 /nfs/dbraw/zinc/06/60/04/1167066004.db2.gz FZMACWFANYOZHO-UHFFFAOYSA-N -1 1 301.335 0.924 20 0 DCADMM CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1nccs1 ZINC001590985989 1167066007 /nfs/dbraw/zinc/06/60/07/1167066007.db2.gz FZMACWFANYOZHO-UHFFFAOYSA-N -1 1 301.335 0.924 20 0 DCADMM CN(C)C(=O)CCCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591002391 1167070883 /nfs/dbraw/zinc/07/08/83/1167070883.db2.gz UXHAWLWCRJGGIS-UHFFFAOYSA-N -1 1 320.328 0.604 20 0 DCADMM CN(C)C(=O)CCCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591002391 1167070887 /nfs/dbraw/zinc/07/08/87/1167070887.db2.gz UXHAWLWCRJGGIS-UHFFFAOYSA-N -1 1 320.328 0.604 20 0 DCADMM CN(C)[C@H](CCNc1cc(-c2nnn[n-]2)ncn1)C(F)(F)F ZINC001591006481 1167072972 /nfs/dbraw/zinc/07/29/72/1167072972.db2.gz SKIQKCLZVXVFLH-MRVPVSSYSA-N -1 1 316.291 0.951 20 0 DCADMM CN(C)[C@H](CCNc1cc(-c2nn[n-]n2)ncn1)C(F)(F)F ZINC001591006481 1167072976 /nfs/dbraw/zinc/07/29/76/1167072976.db2.gz SKIQKCLZVXVFLH-MRVPVSSYSA-N -1 1 316.291 0.951 20 0 DCADMM C[N@H+](CCOCCO)Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001591115639 1167105956 /nfs/dbraw/zinc/10/59/56/1167105956.db2.gz SWXKFWUNDMPWQD-UHFFFAOYSA-N -1 1 311.773 0.961 20 0 DCADMM CN(CCNC(=O)c1coc(-c2nnn[n-]2)c1)CC(F)F ZINC001591101816 1167106865 /nfs/dbraw/zinc/10/68/65/1167106865.db2.gz IMIQCNFPRJPIIH-UHFFFAOYSA-N -1 1 300.269 0.386 20 0 DCADMM CN(CCNC(=O)c1coc(-c2nn[n-]n2)c1)CC(F)F ZINC001591101816 1167106868 /nfs/dbraw/zinc/10/68/68/1167106868.db2.gz IMIQCNFPRJPIIH-UHFFFAOYSA-N -1 1 300.269 0.386 20 0 DCADMM CN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C1CCCCC1 ZINC001591154761 1167120216 /nfs/dbraw/zinc/12/02/16/1167120216.db2.gz JATGHIBHAURIHQ-UHFFFAOYSA-N -1 1 319.369 0.033 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCC(=O)N(C)C1 ZINC001591172961 1167126411 /nfs/dbraw/zinc/12/64/11/1167126411.db2.gz YOSRQUAFCOXLFN-QMMMGPOBSA-N -1 1 320.378 0.621 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCC(=O)N(C)C1 ZINC001591172961 1167126417 /nfs/dbraw/zinc/12/64/17/1167126417.db2.gz YOSRQUAFCOXLFN-QMMMGPOBSA-N -1 1 320.378 0.621 20 0 DCADMM CN(c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCCN(C)C1=O ZINC001591187770 1167137687 /nfs/dbraw/zinc/13/76/87/1167137687.db2.gz JVGYKFCLESNZAJ-LLVKDONJSA-N -1 1 301.354 0.709 20 0 DCADMM CN(c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCCN(C)C1=O ZINC001591187770 1167137691 /nfs/dbraw/zinc/13/76/91/1167137691.db2.gz JVGYKFCLESNZAJ-LLVKDONJSA-N -1 1 301.354 0.709 20 0 DCADMM CN1CCCC[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001591187809 1167139482 /nfs/dbraw/zinc/13/94/82/1167139482.db2.gz OFMNRPOZWIJLBZ-GFCCVEGCSA-N -1 1 302.338 0.761 20 0 DCADMM CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591196222 1167144818 /nfs/dbraw/zinc/14/48/18/1167144818.db2.gz IMMCONDNIRPKES-ZJUUUORDSA-N -1 1 316.321 0.295 20 0 DCADMM CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591196222 1167144819 /nfs/dbraw/zinc/14/48/19/1167144819.db2.gz IMMCONDNIRPKES-ZJUUUORDSA-N -1 1 316.321 0.295 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591201221 1167147385 /nfs/dbraw/zinc/14/73/85/1167147385.db2.gz APSGKALTNAADRX-PSASIEDQSA-N -1 1 318.337 0.413 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591201221 1167147389 /nfs/dbraw/zinc/14/73/89/1167147389.db2.gz APSGKALTNAADRX-PSASIEDQSA-N -1 1 318.337 0.413 20 0 DCADMM CNC(=O)[C@H](C)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591212888 1167160052 /nfs/dbraw/zinc/16/00/52/1167160052.db2.gz PWDWMOKKMWWTBJ-YFKPBYRVSA-N -1 1 310.264 0.009 20 0 DCADMM CNC(=O)[C@H](C)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591212888 1167160057 /nfs/dbraw/zinc/16/00/57/1167160057.db2.gz PWDWMOKKMWWTBJ-YFKPBYRVSA-N -1 1 310.264 0.009 20 0 DCADMM COC(=O)C(C)(C)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591227192 1167166385 /nfs/dbraw/zinc/16/63/85/1167166385.db2.gz UVGNBLSONBLKJR-UHFFFAOYSA-N -1 1 319.325 0.582 20 0 DCADMM COC(=O)C(C)(C)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591227192 1167166387 /nfs/dbraw/zinc/16/63/87/1167166387.db2.gz UVGNBLSONBLKJR-UHFFFAOYSA-N -1 1 319.325 0.582 20 0 DCADMM COC(=O)C1(COC(=O)c2cc(-c3nnn[n-]3)oc2C)CC1 ZINC001591242282 1167171939 /nfs/dbraw/zinc/17/19/39/1167171939.db2.gz LYKFVXQJUWLPJZ-UHFFFAOYSA-N -1 1 306.278 0.878 20 0 DCADMM COC(=O)C1(COC(=O)c2cc(-c3nn[n-]n3)oc2C)CC1 ZINC001591242282 1167171944 /nfs/dbraw/zinc/17/19/44/1167171944.db2.gz LYKFVXQJUWLPJZ-UHFFFAOYSA-N -1 1 306.278 0.878 20 0 DCADMM COC(=O)C1(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CC1 ZINC001591241765 1167173155 /nfs/dbraw/zinc/17/31/55/1167173155.db2.gz DGEVURGECIKBQA-UHFFFAOYSA-N -1 1 317.309 0.359 20 0 DCADMM COC(=O)C12CCC(CC1)N2C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591247445 1167174786 /nfs/dbraw/zinc/17/47/86/1167174786.db2.gz RKKVZMMSNRNNQJ-UHFFFAOYSA-N -1 1 317.305 0.770 20 0 DCADMM COC(=O)C12CCC(CC1)N2C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591247445 1167174788 /nfs/dbraw/zinc/17/47/88/1167174788.db2.gz RKKVZMMSNRNNQJ-UHFFFAOYSA-N -1 1 317.305 0.770 20 0 DCADMM COC(=O)[C@@H]1C[C@H](O)CN1Cc1csc(-c2nn[n-]n2)c1 ZINC001591249405 1167176418 /nfs/dbraw/zinc/17/64/18/1167176418.db2.gz XGBQRZFVBQRAND-IUCAKERBSA-N -1 1 309.351 0.036 20 0 DCADMM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001591249915 1167177112 /nfs/dbraw/zinc/17/71/12/1167177112.db2.gz IVJBPOCEIZGFIQ-LNLATYFQSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001591249915 1167177117 /nfs/dbraw/zinc/17/71/17/1167177117.db2.gz IVJBPOCEIZGFIQ-LNLATYFQSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001591249442 1167177123 /nfs/dbraw/zinc/17/71/23/1167177123.db2.gz FRFKZMCSGPPZNV-QXEWZRGKSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@H]1C[C@@H](O)CN1Cc1csc(-c2nn[n-]n2)c1 ZINC001591249407 1167177220 /nfs/dbraw/zinc/17/72/20/1167177220.db2.gz XGBQRZFVBQRAND-RKDXNWHRSA-N -1 1 309.351 0.036 20 0 DCADMM COC(=O)CC(C)(C)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001591257186 1167182195 /nfs/dbraw/zinc/18/21/95/1167182195.db2.gz OWUCFBUYRNOHSX-UHFFFAOYSA-N -1 1 307.314 0.265 20 0 DCADMM COC(=O)C[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001591262628 1167186701 /nfs/dbraw/zinc/18/67/01/1167186701.db2.gz MZIWHOSJDKXXMY-SECBINFHSA-N -1 1 307.310 0.224 20 0 DCADMM COC(=O)C[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001591262628 1167186706 /nfs/dbraw/zinc/18/67/06/1167186706.db2.gz MZIWHOSJDKXXMY-SECBINFHSA-N -1 1 307.310 0.224 20 0 DCADMM COC(=O)C[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001591270271 1167192399 /nfs/dbraw/zinc/19/23/99/1167192399.db2.gz OWFDDOUUIZPKER-BDAKNGLRSA-N -1 1 303.326 0.800 20 0 DCADMM COC(=O)C[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001591270271 1167192404 /nfs/dbraw/zinc/19/24/04/1167192404.db2.gz OWFDDOUUIZPKER-BDAKNGLRSA-N -1 1 303.326 0.800 20 0 DCADMM COC(=O)[C@@H]1C[C@H](F)CN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001591281423 1167198908 /nfs/dbraw/zinc/19/89/08/1167198908.db2.gz XZFSVQRCTUPYAX-XPUUQOCRSA-N -1 1 312.330 0.409 20 0 DCADMM COC(=O)[C@@H]1C[C@H](F)CN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001591281423 1167198912 /nfs/dbraw/zinc/19/89/12/1167198912.db2.gz XZFSVQRCTUPYAX-XPUUQOCRSA-N -1 1 312.330 0.409 20 0 DCADMM COC(=O)c1ccc(NCc2nonc2C)c(-c2nnn[n-]2)n1 ZINC001591296437 1167202412 /nfs/dbraw/zinc/20/24/12/1167202412.db2.gz KKFGWBUFOQIQGX-UHFFFAOYSA-N -1 1 316.281 0.352 20 0 DCADMM COC(=O)c1ccc(NCc2nonc2C)c(-c2nn[n-]n2)n1 ZINC001591296437 1167202418 /nfs/dbraw/zinc/20/24/18/1167202418.db2.gz KKFGWBUFOQIQGX-UHFFFAOYSA-N -1 1 316.281 0.352 20 0 DCADMM COC(=O)c1ccc(NC[C@@]2(C)CCOC2)c(-c2nnn[n-]2)n1 ZINC001591295753 1167203314 /nfs/dbraw/zinc/20/33/14/1167203314.db2.gz NLTFBWALSVQSAV-CQSZACIVSA-N -1 1 318.337 0.887 20 0 DCADMM COC(=O)c1ccc(NC[C@@]2(C)CCOC2)c(-c2nn[n-]n2)n1 ZINC001591295753 1167203320 /nfs/dbraw/zinc/20/33/20/1167203320.db2.gz NLTFBWALSVQSAV-CQSZACIVSA-N -1 1 318.337 0.887 20 0 DCADMM COC(=O)c1ccc(NCCC(C)(C)CO)c(-c2nnn[n-]2)n1 ZINC001591295972 1167203729 /nfs/dbraw/zinc/20/37/29/1167203729.db2.gz KSTXFHVYPAIGDJ-UHFFFAOYSA-N -1 1 320.353 0.869 20 0 DCADMM COC(=O)c1ccc(NCCC(C)(C)CO)c(-c2nn[n-]n2)n1 ZINC001591295972 1167203734 /nfs/dbraw/zinc/20/37/34/1167203734.db2.gz KSTXFHVYPAIGDJ-UHFFFAOYSA-N -1 1 320.353 0.869 20 0 DCADMM COC(=O)c1ccc(N2CCC(=O)[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001591293847 1167204332 /nfs/dbraw/zinc/20/43/32/1167204332.db2.gz PTEYJHHZTUXZQG-QMMMGPOBSA-N -1 1 316.321 0.464 20 0 DCADMM COC(=O)c1ccc(N2CCC(=O)[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001591293847 1167204336 /nfs/dbraw/zinc/20/43/36/1167204336.db2.gz PTEYJHHZTUXZQG-QMMMGPOBSA-N -1 1 316.321 0.464 20 0 DCADMM COC(=O)c1ccc(N2CCC[C@H](CO)C2)c(-c2nnn[n-]2)n1 ZINC001591295295 1167204687 /nfs/dbraw/zinc/20/46/87/1167204687.db2.gz WVIFAOQKDXCBLP-VIFPVBQESA-N -1 1 318.337 0.257 20 0 DCADMM COC(=O)c1ccc(N2CCC[C@H](CO)C2)c(-c2nn[n-]n2)n1 ZINC001591295295 1167204695 /nfs/dbraw/zinc/20/46/95/1167204695.db2.gz WVIFAOQKDXCBLP-VIFPVBQESA-N -1 1 318.337 0.257 20 0 DCADMM COC(=O)c1cnc(Oc2ccc(F)nc2-c2nn[n-]n2)nc1 ZINC001591305120 1167206093 /nfs/dbraw/zinc/20/60/93/1167206093.db2.gz FQDUNLSNXKRLCG-UHFFFAOYSA-N -1 1 317.240 0.770 20 0 DCADMM COC(=O)c1csc(Cn2c(C)c(C)nc2-c2nnn[n-]2)n1 ZINC001591307830 1167206583 /nfs/dbraw/zinc/20/65/83/1167206583.db2.gz SCJDQOPNZIOEQU-UHFFFAOYSA-N -1 1 319.350 0.971 20 0 DCADMM COC(=O)c1csc(Cn2c(C)c(C)nc2-c2nn[n-]n2)n1 ZINC001591307830 1167206586 /nfs/dbraw/zinc/20/65/86/1167206586.db2.gz SCJDQOPNZIOEQU-UHFFFAOYSA-N -1 1 319.350 0.971 20 0 DCADMM CO[C@@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C1CC1 ZINC001591316375 1167209689 /nfs/dbraw/zinc/20/96/89/1167209689.db2.gz MOOLFSFTUGEDEB-SNVBAGLBSA-N -1 1 303.326 0.831 20 0 DCADMM CO[C@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCOC1 ZINC001591317242 1167211627 /nfs/dbraw/zinc/21/16/27/1167211627.db2.gz RCMCAUJYVSTINZ-XPUUQOCRSA-N -1 1 310.339 0.313 20 0 DCADMM CO[C@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCOC1 ZINC001591317242 1167211631 /nfs/dbraw/zinc/21/16/31/1167211631.db2.gz RCMCAUJYVSTINZ-XPUUQOCRSA-N -1 1 310.339 0.313 20 0 DCADMM COC(C)(C)CN(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001591317454 1167212538 /nfs/dbraw/zinc/21/25/38/1167212538.db2.gz YKIUJQXDXXFMPM-UHFFFAOYSA-N -1 1 308.342 0.589 20 0 DCADMM COC(C)(C)CN(C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001591317454 1167212531 /nfs/dbraw/zinc/21/25/31/1167212531.db2.gz YKIUJQXDXXFMPM-UHFFFAOYSA-N -1 1 308.342 0.589 20 0 DCADMM CO[C@H](C)c1noc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)n1 ZINC001591324994 1167215078 /nfs/dbraw/zinc/21/50/78/1167215078.db2.gz IFWPFJQVJOFFJT-MRVPVSSYSA-N -1 1 317.309 0.476 20 0 DCADMM CO[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)CC(C)C ZINC001591329070 1167216421 /nfs/dbraw/zinc/21/64/21/1167216421.db2.gz ABACHSBVTZHDJG-MRVPVSSYSA-N -1 1 323.357 0.139 20 0 DCADMM COC1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCOCC1 ZINC001591336808 1167219576 /nfs/dbraw/zinc/21/95/76/1167219576.db2.gz DVYQEQQEIWWPFD-UHFFFAOYSA-N -1 1 304.310 0.396 20 0 DCADMM COC1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCOCC1 ZINC001591336808 1167219583 /nfs/dbraw/zinc/21/95/83/1167219583.db2.gz DVYQEQQEIWWPFD-UHFFFAOYSA-N -1 1 304.310 0.396 20 0 DCADMM CO[C@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCSC1 ZINC001591337120 1167219662 /nfs/dbraw/zinc/21/96/62/1167219662.db2.gz KRRXEMSPDGXTQN-GFCCVEGCSA-N -1 1 306.351 0.722 20 0 DCADMM CO[C@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCSC1 ZINC001591337120 1167219665 /nfs/dbraw/zinc/21/96/65/1167219665.db2.gz KRRXEMSPDGXTQN-GFCCVEGCSA-N -1 1 306.351 0.722 20 0 DCADMM COC1([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CCOCC1 ZINC001591337211 1167219749 /nfs/dbraw/zinc/21/97/49/1167219749.db2.gz AIQLHLLOUHVMGG-JTQLQIEISA-N -1 1 319.369 0.961 20 0 DCADMM COC1([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CCOCC1 ZINC001591337211 1167219757 /nfs/dbraw/zinc/21/97/57/1167219757.db2.gz AIQLHLLOUHVMGG-JTQLQIEISA-N -1 1 319.369 0.961 20 0 DCADMM CO[C@@]1(COC(=O)c2cccc(-c3nnn[n-]3)n2)CCOC1 ZINC001591343797 1167225369 /nfs/dbraw/zinc/22/53/69/1167225369.db2.gz HHCHCZJPNMCNAJ-ZDUSSCGKSA-N -1 1 305.294 0.224 20 0 DCADMM CO[C@@]1(COC(=O)c2cccc(-c3nn[n-]n3)n2)CCOC1 ZINC001591343797 1167225376 /nfs/dbraw/zinc/22/53/76/1167225376.db2.gz HHCHCZJPNMCNAJ-ZDUSSCGKSA-N -1 1 305.294 0.224 20 0 DCADMM CO[C@@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001591354354 1167230347 /nfs/dbraw/zinc/23/03/47/1167230347.db2.gz LXTXKBMTJCBGJE-VHSXEESVSA-N -1 1 320.357 0.047 20 0 DCADMM CO[C@@H]1CCCN(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591353482 1167231962 /nfs/dbraw/zinc/23/19/62/1167231962.db2.gz BTTLPIQOZLBMMT-SECBINFHSA-N -1 1 318.341 0.409 20 0 DCADMM CO[C@@H]1CCCN(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591353482 1167231967 /nfs/dbraw/zinc/23/19/67/1167231967.db2.gz BTTLPIQOZLBMMT-SECBINFHSA-N -1 1 318.341 0.409 20 0 DCADMM CO[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1C ZINC001591361062 1167237472 /nfs/dbraw/zinc/23/74/72/1167237472.db2.gz LRJUDDFLUGMPEZ-GXFFZTMASA-N -1 1 316.365 0.688 20 0 DCADMM CO[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1C ZINC001591361062 1167237475 /nfs/dbraw/zinc/23/74/75/1167237475.db2.gz LRJUDDFLUGMPEZ-GXFFZTMASA-N -1 1 316.365 0.688 20 0 DCADMM COC[C@H](C)CNc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001591374087 1167243881 /nfs/dbraw/zinc/24/38/81/1167243881.db2.gz SDYIXSNYIZHZPS-MRVPVSSYSA-N -1 1 306.326 0.743 20 0 DCADMM COC[C@H](C)CNc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001591374087 1167243888 /nfs/dbraw/zinc/24/38/88/1167243888.db2.gz SDYIXSNYIZHZPS-MRVPVSSYSA-N -1 1 306.326 0.743 20 0 DCADMM COC[C@H](CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001591375580 1167247780 /nfs/dbraw/zinc/24/77/80/1167247780.db2.gz GBOLTUCZQQZJLP-UWVGGRQHSA-N -1 1 322.373 0.054 20 0 DCADMM COC[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001591381129 1167252350 /nfs/dbraw/zinc/25/23/50/1167252350.db2.gz GDULHTOXOFQGLV-UWVGGRQHSA-N -1 1 323.378 0.852 20 0 DCADMM COC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@@H]1CCCOC1 ZINC001591382027 1167253193 /nfs/dbraw/zinc/25/31/93/1167253193.db2.gz BUAICSRIZWOPJJ-KOLCDFICSA-N -1 1 305.342 0.510 20 0 DCADMM COC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@@H]1CCCOC1 ZINC001591382027 1167253200 /nfs/dbraw/zinc/25/32/00/1167253200.db2.gz BUAICSRIZWOPJJ-KOLCDFICSA-N -1 1 305.342 0.510 20 0 DCADMM COC[C@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001591386578 1167253599 /nfs/dbraw/zinc/25/35/99/1167253599.db2.gz QIEZZGPXXFBGJN-AWEZNQCLSA-N -1 1 318.337 0.139 20 0 DCADMM COC[C@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001591386578 1167253604 /nfs/dbraw/zinc/25/36/04/1167253604.db2.gz QIEZZGPXXFBGJN-AWEZNQCLSA-N -1 1 318.337 0.139 20 0 DCADMM COC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC001591383196 1167255378 /nfs/dbraw/zinc/25/53/78/1167255378.db2.gz YSTUZFQQJHADNZ-GWCFXTLKSA-N -1 1 304.354 0.537 20 0 DCADMM COC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC001591383196 1167255385 /nfs/dbraw/zinc/25/53/85/1167255385.db2.gz YSTUZFQQJHADNZ-GWCFXTLKSA-N -1 1 304.354 0.537 20 0 DCADMM COC[C@@H]1COCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591395231 1167265159 /nfs/dbraw/zinc/26/51/59/1167265159.db2.gz QTIJOOALPRUTAQ-SECBINFHSA-N -1 1 309.351 0.416 20 0 DCADMM COCC[C@@H](C)NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001591399004 1167268358 /nfs/dbraw/zinc/26/83/58/1167268358.db2.gz MGLMJTPBRQWAKQ-MRVPVSSYSA-N -1 1 321.341 0.817 20 0 DCADMM COCC[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591403593 1167273196 /nfs/dbraw/zinc/27/31/96/1167273196.db2.gz PXLIOMHBTBSBLR-JTQLQIEISA-N -1 1 321.337 0.646 20 0 DCADMM COCC[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591403593 1167273204 /nfs/dbraw/zinc/27/32/04/1167273204.db2.gz PXLIOMHBTBSBLR-JTQLQIEISA-N -1 1 321.337 0.646 20 0 DCADMM COCCN(Cc1ccco1)c1cncc(-c2nnn[n-]2)n1 ZINC001591427715 1167280459 /nfs/dbraw/zinc/28/04/59/1167280459.db2.gz IRNKRPFJKALPBV-UHFFFAOYSA-N -1 1 301.310 0.903 20 0 DCADMM COCCN(Cc1ccco1)c1cncc(-c2nn[n-]n2)n1 ZINC001591427715 1167280466 /nfs/dbraw/zinc/28/04/66/1167280466.db2.gz IRNKRPFJKALPBV-UHFFFAOYSA-N -1 1 301.310 0.903 20 0 DCADMM COCCOCc1noc(-c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001591439526 1167288687 /nfs/dbraw/zinc/28/86/87/1167288687.db2.gz MSNQMGXZWXGHPA-UHFFFAOYSA-N -1 1 306.282 0.981 20 0 DCADMM COCCOCc1noc(-c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001591439526 1167288693 /nfs/dbraw/zinc/28/86/93/1167288693.db2.gz MSNQMGXZWXGHPA-UHFFFAOYSA-N -1 1 306.282 0.981 20 0 DCADMM CON1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001591467922 1167299202 /nfs/dbraw/zinc/29/92/02/1167299202.db2.gz BIJDMWSBZNMYEM-UHFFFAOYSA-N -1 1 303.326 0.017 20 0 DCADMM CON1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001591467922 1167299206 /nfs/dbraw/zinc/29/92/06/1167299206.db2.gz BIJDMWSBZNMYEM-UHFFFAOYSA-N -1 1 303.326 0.017 20 0 DCADMM COc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)nn1C ZINC001591541176 1167327651 /nfs/dbraw/zinc/32/76/51/1167327651.db2.gz MPXWFBFQNWNJBJ-UHFFFAOYSA-N -1 1 318.297 0.086 20 0 DCADMM COc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)nn1C ZINC001591541176 1167327657 /nfs/dbraw/zinc/32/76/57/1167327657.db2.gz MPXWFBFQNWNJBJ-UHFFFAOYSA-N -1 1 318.297 0.086 20 0 DCADMM COc1ccnc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001591656408 1167340918 /nfs/dbraw/zinc/34/09/18/1167340918.db2.gz HVNUFSRZXWZWQT-UHFFFAOYSA-N -1 1 311.305 0.847 20 0 DCADMM COc1ccnc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001591656408 1167340928 /nfs/dbraw/zinc/34/09/28/1167340928.db2.gz HVNUFSRZXWZWQT-UHFFFAOYSA-N -1 1 311.305 0.847 20 0 DCADMM COc1cccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)c1O ZINC001591632822 1167341042 /nfs/dbraw/zinc/34/10/42/1167341042.db2.gz AKPODNLUZIDOKB-UHFFFAOYSA-N -1 1 315.293 0.865 20 0 DCADMM COc1ncc(NC(=O)N(C)[C@H](C)CO)cc1-c1nn[n-]n1 ZINC001591664195 1167342736 /nfs/dbraw/zinc/34/27/36/1167342736.db2.gz FMPDASOXAXJCKS-SSDOTTSWSA-N -1 1 307.314 0.115 20 0 DCADMM COc1ncc(NC(=O)[C@@H]2CCC=CO2)cc1-c1nn[n-]n1 ZINC001591663555 1167343606 /nfs/dbraw/zinc/34/36/06/1167343606.db2.gz BNAASGGLYCQFHH-JTQLQIEISA-N -1 1 302.294 0.902 20 0 DCADMM CS(=O)(=O)C[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001591673996 1167347828 /nfs/dbraw/zinc/34/78/28/1167347828.db2.gz YYRLNJQHNHIEHZ-VIFPVBQESA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)C[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001591673996 1167347832 /nfs/dbraw/zinc/34/78/32/1167347832.db2.gz YYRLNJQHNHIEHZ-VIFPVBQESA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)CC1(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001591672915 1167348579 /nfs/dbraw/zinc/34/85/79/1167348579.db2.gz IPXMVGKZJROQBS-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM CS(=O)(=O)CC1(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001591672915 1167348585 /nfs/dbraw/zinc/34/85/85/1167348585.db2.gz IPXMVGKZJROQBS-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM C[S@](=O)[C@@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001591682536 1167350375 /nfs/dbraw/zinc/35/03/75/1167350375.db2.gz IYQWFKKFCFEMLK-FQJNGZCASA-N -1 1 307.383 0.758 20 0 DCADMM C[S@](=O)[C@@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001591682536 1167350381 /nfs/dbraw/zinc/35/03/81/1167350381.db2.gz IYQWFKKFCFEMLK-FQJNGZCASA-N -1 1 307.383 0.758 20 0 DCADMM C[S@@](=O)C1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001591683047 1167350965 /nfs/dbraw/zinc/35/09/65/1167350965.db2.gz RLNPNDRAGMESSJ-JOCHJYFZSA-N -1 1 320.378 0.293 20 0 DCADMM C[S@@](=O)C1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001591683047 1167350968 /nfs/dbraw/zinc/35/09/68/1167350968.db2.gz RLNPNDRAGMESSJ-JOCHJYFZSA-N -1 1 320.378 0.293 20 0 DCADMM CS(C)(=O)=NCCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591685132 1167353238 /nfs/dbraw/zinc/35/32/38/1167353238.db2.gz KAYJOAFJSRWIMS-UHFFFAOYSA-N -1 1 314.396 0.386 20 0 DCADMM CS(C)(=O)=NCCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591685132 1167353247 /nfs/dbraw/zinc/35/32/47/1167353247.db2.gz KAYJOAFJSRWIMS-UHFFFAOYSA-N -1 1 314.396 0.386 20 0 DCADMM CSCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591701606 1167358027 /nfs/dbraw/zinc/35/80/27/1167358027.db2.gz XMDARQYERGUOPR-UHFFFAOYSA-N -1 1 317.371 0.647 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N2CC(F)C2)cc1-c1nn[n-]n1 ZINC001591702814 1167358279 /nfs/dbraw/zinc/35/82/79/1167358279.db2.gz ZDWMTQMOMYXOAE-UHFFFAOYSA-N -1 1 310.314 0.483 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C[C@@H]2CCCOC2)nn1C ZINC001591800412 1167384045 /nfs/dbraw/zinc/38/40/45/1167384045.db2.gz YYBYLHGWKOIBND-VIFPVBQESA-N -1 1 305.342 0.664 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C[C@@H]2CCCOC2)nn1C ZINC001591800412 1167384051 /nfs/dbraw/zinc/38/40/51/1167384051.db2.gz YYBYLHGWKOIBND-VIFPVBQESA-N -1 1 305.342 0.664 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCO[C@@H](C)C2)nn1C ZINC001591799035 1167384077 /nfs/dbraw/zinc/38/40/77/1167384077.db2.gz QXDRECOAWUGQGI-IONNQARKSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCO[C@@H](C)C2)nn1C ZINC001591799035 1167384083 /nfs/dbraw/zinc/38/40/83/1167384083.db2.gz QXDRECOAWUGQGI-IONNQARKSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CC3(CCC3)C(=O)O2)c1 ZINC001591836614 1167391020 /nfs/dbraw/zinc/39/10/20/1167391020.db2.gz DHHCMFNQACYDMR-SNVBAGLBSA-N -1 1 315.333 0.823 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@H]2C[C@H]21 ZINC001591835243 1167391462 /nfs/dbraw/zinc/39/14/62/1167391462.db2.gz QWXFAEIZTUHDIF-WCBMZHEXSA-N -1 1 300.322 0.900 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2nnc3n2CCC3)n1 ZINC001591890567 1167410596 /nfs/dbraw/zinc/41/05/96/1167410596.db2.gz BWRTYHAGHKHAHP-QMMMGPOBSA-N -1 1 312.341 0.676 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2nnc3n2CCC3)n1 ZINC001591890567 1167410599 /nfs/dbraw/zinc/41/05/99/1167410599.db2.gz BWRTYHAGHKHAHP-QMMMGPOBSA-N -1 1 312.341 0.676 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2Cc3cncnc3[C@H](C)C2)n1 ZINC001591891646 1167412715 /nfs/dbraw/zinc/41/27/15/1167412715.db2.gz RUYPWWNIPUEWPP-MRVPVSSYSA-N -1 1 309.337 0.879 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2Cc3cncnc3[C@H](C)C2)n1 ZINC001591891646 1167412718 /nfs/dbraw/zinc/41/27/18/1167412718.db2.gz RUYPWWNIPUEWPP-MRVPVSSYSA-N -1 1 309.337 0.879 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C(N)=O)c2ccccc2)n1 ZINC001591890687 1167413182 /nfs/dbraw/zinc/41/31/82/1167413182.db2.gz KTFQNUPJWCZANG-NSHDSACASA-N -1 1 310.321 0.604 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C(N)=O)c2ccccc2)n1 ZINC001591890687 1167413188 /nfs/dbraw/zinc/41/31/88/1167413188.db2.gz KTFQNUPJWCZANG-NSHDSACASA-N -1 1 310.321 0.604 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](O)COCC2CC2)n1 ZINC001591895850 1167413326 /nfs/dbraw/zinc/41/33/26/1167413326.db2.gz KHNPMFNGVBYYEN-JTQLQIEISA-N -1 1 305.342 0.165 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](O)COCC2CC2)n1 ZINC001591895850 1167413331 /nfs/dbraw/zinc/41/33/31/1167413331.db2.gz KHNPMFNGVBYYEN-JTQLQIEISA-N -1 1 305.342 0.165 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@]2(O)CCCOC2)n1 ZINC001591895392 1167413356 /nfs/dbraw/zinc/41/33/56/1167413356.db2.gz IEVFOUZKOKVINQ-CYBMUJFWSA-N -1 1 305.342 0.309 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@]2(O)CCCOC2)n1 ZINC001591895392 1167413358 /nfs/dbraw/zinc/41/33/58/1167413358.db2.gz IEVFOUZKOKVINQ-CYBMUJFWSA-N -1 1 305.342 0.309 20 0 DCADMM Cc1cc(C(=O)COC(=O)c2cccc(-c3nnn[n-]3)n2)on1 ZINC001591906898 1167415231 /nfs/dbraw/zinc/41/52/31/1167415231.db2.gz OBQJHKLOEPVQJE-UHFFFAOYSA-N -1 1 314.261 0.598 20 0 DCADMM Cc1cc(C(=O)COC(=O)c2cccc(-c3nn[n-]n3)n2)on1 ZINC001591906898 1167415235 /nfs/dbraw/zinc/41/52/35/1167415235.db2.gz OBQJHKLOEPVQJE-UHFFFAOYSA-N -1 1 314.261 0.598 20 0 DCADMM Cc1cc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c(C)cn1 ZINC001592016002 1167433776 /nfs/dbraw/zinc/43/37/76/1167433776.db2.gz MVQDZIFNNGMKEA-SECBINFHSA-N -1 1 313.325 0.092 20 0 DCADMM Cc1cc(N2CCSC[C@@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592008598 1167434760 /nfs/dbraw/zinc/43/47/60/1167434760.db2.gz KIBMIWNYRQTWIF-VIFPVBQESA-N -1 1 320.378 0.824 20 0 DCADMM Cc1cc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cnc1C ZINC001592016624 1167434947 /nfs/dbraw/zinc/43/49/47/1167434947.db2.gz VJLOZIUVRZNVGW-SECBINFHSA-N -1 1 313.325 0.670 20 0 DCADMM Cc1cc(N[C@H](C)CCS(C)(=O)=O)nc(-c2nnn[n-]2)c1 ZINC001592032791 1167439204 /nfs/dbraw/zinc/43/92/04/1167439204.db2.gz AWWOADOTRSUTIK-SECBINFHSA-N -1 1 310.383 0.805 20 0 DCADMM Cc1cc(N[C@H](C)CCS(C)(=O)=O)nc(-c2nn[n-]n2)c1 ZINC001592032791 1167439206 /nfs/dbraw/zinc/43/92/06/1167439206.db2.gz AWWOADOTRSUTIK-SECBINFHSA-N -1 1 310.383 0.805 20 0 DCADMM Cc1cc(N[C@H]2CC(=O)N(CC3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592035879 1167442079 /nfs/dbraw/zinc/44/20/79/1167442079.db2.gz DEMRIBFLXWCCOF-LBPRGKRZSA-N -1 1 313.365 0.415 20 0 DCADMM Cc1cc(N[C@H]2CC(=O)N(CC3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592035879 1167442085 /nfs/dbraw/zinc/44/20/85/1167442085.db2.gz DEMRIBFLXWCCOF-LBPRGKRZSA-N -1 1 313.365 0.415 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CC[C@@]2(CCOC2=O)C1 ZINC001592110937 1167457882 /nfs/dbraw/zinc/45/78/82/1167457882.db2.gz XRBGMULELJTATJ-CQSZACIVSA-N -1 1 300.322 0.714 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@]2(CCOC2=O)C1 ZINC001592110937 1167457890 /nfs/dbraw/zinc/45/78/90/1167457890.db2.gz XRBGMULELJTATJ-CQSZACIVSA-N -1 1 300.322 0.714 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC2(CNC(=O)C2)CC1 ZINC001592109863 1167458333 /nfs/dbraw/zinc/45/83/33/1167458333.db2.gz FLSWWJGGSRSHEQ-UHFFFAOYSA-N -1 1 313.365 0.677 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](C(=O)N(C)C)C1 ZINC001592110797 1167458489 /nfs/dbraw/zinc/45/84/89/1167458489.db2.gz UUYWURVSJDOFED-JTQLQIEISA-N -1 1 301.354 0.485 20 0 DCADMM Cc1ccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cc1-c1nn[nH]n1 ZINC001592153600 1167463246 /nfs/dbraw/zinc/46/32/46/1167463246.db2.gz HJSYMLSYZJBMSY-AAEUAGOBSA-N -1 1 303.366 0.757 20 0 DCADMM Cc1ccc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)o1 ZINC001592167940 1167469170 /nfs/dbraw/zinc/46/91/70/1167469170.db2.gz WYWKBPSCZVOFPU-QMMMGPOBSA-N -1 1 303.282 0.664 20 0 DCADMM Cc1ccc(N2CCO[C@]3(CCO[C@H]3C)C2)c(-c2nnn[n-]2)n1 ZINC001592176663 1167471127 /nfs/dbraw/zinc/47/11/27/1167471127.db2.gz UEEGSNIFZGDEBW-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@]3(CCO[C@H]3C)C2)c(-c2nn[n-]n2)n1 ZINC001592176663 1167471131 /nfs/dbraw/zinc/47/11/31/1167471131.db2.gz UEEGSNIFZGDEBW-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(NC[C@@H]2CC(=O)N(C3CC3)C2)c(-c2nnn[n-]2)n1 ZINC001592183735 1167472996 /nfs/dbraw/zinc/47/29/96/1167472996.db2.gz WECOPLLNKGNIPO-JTQLQIEISA-N -1 1 313.365 0.993 20 0 DCADMM Cc1ccc(NC[C@@H]2CC(=O)N(C3CC3)C2)c(-c2nn[n-]n2)n1 ZINC001592183735 1167473003 /nfs/dbraw/zinc/47/30/03/1167473003.db2.gz WECOPLLNKGNIPO-JTQLQIEISA-N -1 1 313.365 0.993 20 0 DCADMM Cc1ccc(Sc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)s1 ZINC001592196137 1167476134 /nfs/dbraw/zinc/47/61/34/1167476134.db2.gz BSXLDTIJBYDXCR-UHFFFAOYSA-N -1 1 322.375 0.775 20 0 DCADMM Cc1ccn(CC(=O)N[C@H](C)C(C)C)c(=O)c1-c1nn[n-]n1 ZINC001592265338 1167480508 /nfs/dbraw/zinc/48/05/08/1167480508.db2.gz QRAHVBPZLXNLLM-SNVBAGLBSA-N -1 1 304.354 0.498 20 0 DCADMM Cc1ccn(CC[C@H]2COC(C)(C)O2)c(=O)c1-c1nn[n-]n1 ZINC001592265601 1167481114 /nfs/dbraw/zinc/48/11/14/1167481114.db2.gz BXNRCXNQPUUWMR-JTQLQIEISA-N -1 1 305.338 0.878 20 0 DCADMM Cc1cnccc1C=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001592299993 1167484917 /nfs/dbraw/zinc/48/49/17/1167484917.db2.gz YDKRDHNDKCAPQZ-ONEGZZNKSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1cnccc1C=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001592299993 1167484919 /nfs/dbraw/zinc/48/49/19/1167484919.db2.gz YDKRDHNDKCAPQZ-ONEGZZNKSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1cncc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592300174 1167485631 /nfs/dbraw/zinc/48/56/31/1167485631.db2.gz NTSXVKKQLQQUPR-VIFPVBQESA-N -1 1 314.309 0.466 20 0 DCADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001592327404 1167488830 /nfs/dbraw/zinc/48/88/30/1167488830.db2.gz ITPZGMHLTSIOEI-RXMQYKEDSA-N -1 1 315.341 0.980 20 0 DCADMM Cc1[nH]nc(NC(=O)c2nccnc2Cl)c1-c1nn[n-]n1 ZINC001592331209 1167491595 /nfs/dbraw/zinc/49/15/95/1167491595.db2.gz UTAUCOLGALNNBJ-UHFFFAOYSA-N -1 1 305.689 0.594 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]([C@H]3CCCO3)C2)n1 ZINC001592337350 1167492749 /nfs/dbraw/zinc/49/27/49/1167492749.db2.gz HOMNBRKCRFBFHQ-CMPLNLGQSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]([C@H]3CCCO3)C2)n1 ZINC001592337350 1167492752 /nfs/dbraw/zinc/49/27/52/1167492752.db2.gz HOMNBRKCRFBFHQ-CMPLNLGQSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCCC[C@@H]2O)n1 ZINC001592338575 1167493290 /nfs/dbraw/zinc/49/32/90/1167493290.db2.gz IELYZCKODZVBRN-PWSUYJOCSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCCC[C@@H]2O)n1 ZINC001592338575 1167493294 /nfs/dbraw/zinc/49/32/94/1167493294.db2.gz IELYZCKODZVBRN-PWSUYJOCSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)[C@H](CO)COC(C)C)n1 ZINC001592338998 1167493837 /nfs/dbraw/zinc/49/38/37/1167493837.db2.gz VVFYACQTIRHABT-SNVBAGLBSA-N -1 1 307.358 0.187 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)[C@H](CO)COC(C)C)n1 ZINC001592338998 1167493839 /nfs/dbraw/zinc/49/38/39/1167493839.db2.gz VVFYACQTIRHABT-SNVBAGLBSA-N -1 1 307.358 0.187 20 0 DCADMM Cc1nc(NCCOC[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592391737 1167513146 /nfs/dbraw/zinc/51/31/46/1167513146.db2.gz SJWSIDXUPQYYJZ-JTQLQIEISA-N -1 1 305.342 0.430 20 0 DCADMM Cc1nc(NCCOC[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592391737 1167513149 /nfs/dbraw/zinc/51/31/49/1167513149.db2.gz SJWSIDXUPQYYJZ-JTQLQIEISA-N -1 1 305.342 0.430 20 0 DCADMM Cc1nn(C)c(NC(=O)CC[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC001592433679 1167519879 /nfs/dbraw/zinc/51/98/79/1167519879.db2.gz GWWQUTLJANHGPY-VIFPVBQESA-N -1 1 305.342 0.806 20 0 DCADMM Cc1nn(C)c(NC(=O)CC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001592433679 1167519886 /nfs/dbraw/zinc/51/98/86/1167519886.db2.gz GWWQUTLJANHGPY-VIFPVBQESA-N -1 1 305.342 0.806 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cc3n(n2)CCC3)c1-c1nnn[n-]1 ZINC001592433135 1167520408 /nfs/dbraw/zinc/52/04/08/1167520408.db2.gz REEDJLWKRLKMKP-UHFFFAOYSA-N -1 1 313.325 0.304 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cc3n(n2)CCC3)c1-c1nn[n-]n1 ZINC001592433135 1167520413 /nfs/dbraw/zinc/52/04/13/1167520413.db2.gz REEDJLWKRLKMKP-UHFFFAOYSA-N -1 1 313.325 0.304 20 0 DCADMM Cc1nsc(N(C)C(=O)[C@H]2CCC(=O)N2C)c1-c1nnn[n-]1 ZINC001592467782 1167531873 /nfs/dbraw/zinc/53/18/73/1167531873.db2.gz IKJKBUSLLIKVPI-SSDOTTSWSA-N -1 1 321.366 0.215 20 0 DCADMM Cc1nsc(N(C)C(=O)[C@H]2CCC(=O)N2C)c1-c1nn[n-]n1 ZINC001592467782 1167531877 /nfs/dbraw/zinc/53/18/77/1167531877.db2.gz IKJKBUSLLIKVPI-SSDOTTSWSA-N -1 1 321.366 0.215 20 0 DCADMM Cc1nsc(NC(=O)N(C)CC(C)(C)O)c1-c1nnn[n-]1 ZINC001592479967 1167534483 /nfs/dbraw/zinc/53/44/83/1167534483.db2.gz SBUBGRRQVKSHNC-UHFFFAOYSA-N -1 1 311.371 0.866 20 0 DCADMM Cc1nsc(NC(=O)N(C)CC(C)(C)O)c1-c1nn[n-]n1 ZINC001592479967 1167534486 /nfs/dbraw/zinc/53/44/86/1167534486.db2.gz SBUBGRRQVKSHNC-UHFFFAOYSA-N -1 1 311.371 0.866 20 0 DCADMM Cc1nsc(NCCNC(=O)c2ccc[nH]2)c1-c1nn[n-]n1 ZINC001592490473 1167536620 /nfs/dbraw/zinc/53/66/20/1167536620.db2.gz DLUCHTHFYAZDBW-UHFFFAOYSA-N -1 1 318.366 0.802 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2CCC[C@@H]2O)c1-c1nnn[n-]1 ZINC001592483088 1167536945 /nfs/dbraw/zinc/53/69/45/1167536945.db2.gz BVSMHHRECIPQJT-BQBZGAKWSA-N -1 1 309.355 0.667 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2CCC[C@@H]2O)c1-c1nn[n-]n1 ZINC001592483088 1167536950 /nfs/dbraw/zinc/53/69/50/1167536950.db2.gz BVSMHHRECIPQJT-BQBZGAKWSA-N -1 1 309.355 0.667 20 0 DCADMM Cc1nsc(NCc2nc(N(C)C)n[nH]2)c1-c1nn[n-]n1 ZINC001592493649 1167537660 /nfs/dbraw/zinc/53/76/60/1167537660.db2.gz VEFBHCBXDGUKNU-UHFFFAOYSA-N -1 1 306.359 0.428 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCn1cccn1 ZINC001592500148 1167540652 /nfs/dbraw/zinc/54/06/52/1167540652.db2.gz AUUZEDZORIOVBA-UHFFFAOYSA-N -1 1 301.310 0.785 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCn1cccn1 ZINC001592500148 1167540655 /nfs/dbraw/zinc/54/06/55/1167540655.db2.gz AUUZEDZORIOVBA-UHFFFAOYSA-N -1 1 301.310 0.785 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCCN1CCOC1=O ZINC001592503974 1167544580 /nfs/dbraw/zinc/54/45/80/1167544580.db2.gz NNUFPQFPNYUFSU-UHFFFAOYSA-N -1 1 321.293 0.767 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCCN1CCOC1=O ZINC001592503974 1167544583 /nfs/dbraw/zinc/54/45/83/1167544583.db2.gz NNUFPQFPNYUFSU-UHFFFAOYSA-N -1 1 321.293 0.767 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCCc1cnn(C)n1 ZINC001592504077 1167545327 /nfs/dbraw/zinc/54/53/27/1167545327.db2.gz SQQAQNJKWFRVHX-UHFFFAOYSA-N -1 1 317.309 0.686 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCCc1cnn(C)n1 ZINC001592504077 1167545332 /nfs/dbraw/zinc/54/53/32/1167545332.db2.gz SQQAQNJKWFRVHX-UHFFFAOYSA-N -1 1 317.309 0.686 20 0 DCADMM Cc1onc(CC(=O)Nc2cc(C3CC3)[nH]n2)c1-c1nnn[n-]1 ZINC001592516307 1167546606 /nfs/dbraw/zinc/54/66/06/1167546606.db2.gz HSILWOAYFULLOH-UHFFFAOYSA-N -1 1 314.309 0.945 20 0 DCADMM Cc1onc(CC(=O)Nc2cc(C3CC3)[nH]n2)c1-c1nn[n-]n1 ZINC001592516307 1167546614 /nfs/dbraw/zinc/54/66/14/1167546614.db2.gz HSILWOAYFULLOH-UHFFFAOYSA-N -1 1 314.309 0.945 20 0 DCADMM Cc1onc(CC(=O)NCC[C@@H]2CC2(F)F)c1-c1nnn[n-]1 ZINC001592517243 1167547629 /nfs/dbraw/zinc/54/76/29/1167547629.db2.gz QFQPSPKXJOSANJ-SSDOTTSWSA-N -1 1 312.280 0.867 20 0 DCADMM Cc1onc(CC(=O)NCC[C@@H]2CC2(F)F)c1-c1nn[n-]n1 ZINC001592517243 1167547636 /nfs/dbraw/zinc/54/76/36/1167547636.db2.gz QFQPSPKXJOSANJ-SSDOTTSWSA-N -1 1 312.280 0.867 20 0 DCADMM Clc1cc2c(nn1)CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001592527299 1167549205 /nfs/dbraw/zinc/54/92/05/1167549205.db2.gz IBYZWJZLAXYLNF-UHFFFAOYSA-N -1 1 315.728 0.663 20 0 DCADMM Clc1cc2c(nn1)CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001592527299 1167549212 /nfs/dbraw/zinc/54/92/12/1167549212.db2.gz IBYZWJZLAXYLNF-UHFFFAOYSA-N -1 1 315.728 0.663 20 0 DCADMM Clc1ccc(CCNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001592527932 1167549570 /nfs/dbraw/zinc/54/95/70/1167549570.db2.gz OBNXBVMWGJDACU-UHFFFAOYSA-N -1 1 302.729 0.782 20 0 DCADMM Cn1c(=O)[nH]c(NCC[C@@H]2CC[C@H]3C[C@H]32)c(-c2nn[n-]n2)c1=O ZINC001592546748 1167552267 /nfs/dbraw/zinc/55/22/67/1167552267.db2.gz SDXPSGXZWMPIHL-CIUDSAMLSA-N -1 1 317.353 0.514 20 0 DCADMM Cn1cc(-c2cc(Cn3cc(-c4nn[n-]n4)ccc3=O)on2)cn1 ZINC001592558737 1167557657 /nfs/dbraw/zinc/55/76/57/1167557657.db2.gz VZHCRQCMLZKDPN-UHFFFAOYSA-N -1 1 324.304 0.465 20 0 DCADMM Cn1c(Sc2nnccc2-c2nn[n-]n2)nnc1C(F)F ZINC001592557208 1167558240 /nfs/dbraw/zinc/55/82/40/1167558240.db2.gz SSTNBBZKAXCNMX-UHFFFAOYSA-N -1 1 311.281 0.874 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCSC2)n1 ZINC001592559613 1167560179 /nfs/dbraw/zinc/56/01/79/1167560179.db2.gz AISGSJFRKPWXOF-SSDOTTSWSA-N -1 1 308.371 0.475 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCSC2)n1 ZINC001592559613 1167560183 /nfs/dbraw/zinc/56/01/83/1167560183.db2.gz AISGSJFRKPWXOF-SSDOTTSWSA-N -1 1 308.371 0.475 20 0 DCADMM Cn1cncc1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592589367 1167574265 /nfs/dbraw/zinc/57/42/65/1167574265.db2.gz FPKPSFPUCXREAK-UHFFFAOYSA-N -1 1 310.321 0.588 20 0 DCADMM Cn1nc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c2ccccc21 ZINC001592593274 1167575327 /nfs/dbraw/zinc/57/53/27/1167575327.db2.gz FLRDJFFEODGQPI-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1nc2c(c1CNc1cnc(-c3nnn[n-]3)cn1)CCCC2 ZINC001592596824 1167577329 /nfs/dbraw/zinc/57/73/29/1167577329.db2.gz DUPDRYVYGZKXFP-UHFFFAOYSA-N -1 1 311.353 0.881 20 0 DCADMM Cn1nc2c(c1CNc1cnc(-c3nn[n-]n3)cn1)CCCC2 ZINC001592596824 1167577335 /nfs/dbraw/zinc/57/73/35/1167577335.db2.gz DUPDRYVYGZKXFP-UHFFFAOYSA-N -1 1 311.353 0.881 20 0 DCADMM Cn1ncc(C2CCC2)c1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592600721 1167578880 /nfs/dbraw/zinc/57/88/80/1167578880.db2.gz UFRGSNBZGCCGFC-UHFFFAOYSA-N -1 1 313.325 0.335 20 0 DCADMM Cn1ncc2c1C[C@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)CC2 ZINC001592603543 1167580279 /nfs/dbraw/zinc/58/02/79/1167580279.db2.gz PFOGDKIBMPMCGB-SSDOTTSWSA-N -1 1 313.325 0.067 20 0 DCADMM Cn1nccc1[C@H]1COCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001592605205 1167581878 /nfs/dbraw/zinc/58/18/78/1167581878.db2.gz FCJDOSFEHONDKO-CYBMUJFWSA-N -1 1 312.337 0.573 20 0 DCADMM Cn1nccc1[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001592605205 1167581884 /nfs/dbraw/zinc/58/18/84/1167581884.db2.gz FCJDOSFEHONDKO-CYBMUJFWSA-N -1 1 312.337 0.573 20 0 DCADMM FC[C@H]1CN(Cc2cnc3c(-c4nnn[n-]4)cnn3c2)CCO1 ZINC001592632612 1167589733 /nfs/dbraw/zinc/58/97/33/1167589733.db2.gz YLRUYHMXMNWHQJ-JTQLQIEISA-N -1 1 318.316 0.080 20 0 DCADMM FC[C@H]1CN(Cc2cnc3c(-c4nn[n-]n4)cnn3c2)CCO1 ZINC001592632612 1167589739 /nfs/dbraw/zinc/58/97/39/1167589739.db2.gz YLRUYHMXMNWHQJ-JTQLQIEISA-N -1 1 318.316 0.080 20 0 DCADMM NC(=O)[C@H](C1CC1)N(CC1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592714526 1167609180 /nfs/dbraw/zinc/60/91/80/1167609180.db2.gz QSRBEENYDDYJPR-ZDUSSCGKSA-N -1 1 313.365 0.742 20 0 DCADMM NC(=O)[C@H](C1CC1)N(CC1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592714526 1167609184 /nfs/dbraw/zinc/60/91/84/1167609184.db2.gz QSRBEENYDDYJPR-ZDUSSCGKSA-N -1 1 313.365 0.742 20 0 DCADMM NC(=O)C[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001592725794 1167615512 /nfs/dbraw/zinc/61/55/12/1167615512.db2.gz JKFIHXKRMDDGND-MRVPVSSYSA-N -1 1 314.353 0.236 20 0 DCADMM NC(=O)C[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001592725794 1167615516 /nfs/dbraw/zinc/61/55/16/1167615516.db2.gz JKFIHXKRMDDGND-MRVPVSSYSA-N -1 1 314.353 0.236 20 0 DCADMM NC(=O)c1ccc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001592737175 1167623960 /nfs/dbraw/zinc/62/39/60/1167623960.db2.gz DKLATILTWSGPPA-UHFFFAOYSA-N -1 1 323.316 0.291 20 0 DCADMM NC(=O)c1ccc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001592737175 1167623962 /nfs/dbraw/zinc/62/39/62/1167623962.db2.gz DKLATILTWSGPPA-UHFFFAOYSA-N -1 1 323.316 0.291 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cn1cnc2ccccc21 ZINC001592753456 1167631399 /nfs/dbraw/zinc/63/13/99/1167631399.db2.gz RUPZUMXHNZJNCD-UHFFFAOYSA-N -1 1 309.293 0.336 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1conc1C1CCCC1 ZINC001592753388 1167632082 /nfs/dbraw/zinc/63/20/82/1167632082.db2.gz XJHDXGZLWRPSIY-UHFFFAOYSA-N -1 1 314.309 0.980 20 0 DCADMM Nc1nc2c(s1)CN(c1ncncc1-c1nn[n-]n1)CC2 ZINC001592763260 1167638727 /nfs/dbraw/zinc/63/87/27/1167638727.db2.gz WEGGROSVVQUWSK-UHFFFAOYSA-N -1 1 301.339 0.258 20 0 DCADMM O=C(Cc1ccc(Cl)cn1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592917432 1167665243 /nfs/dbraw/zinc/66/52/43/1167665243.db2.gz LBAXFCVMXFQLAF-UHFFFAOYSA-N -1 1 304.701 0.819 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001592940804 1167668881 /nfs/dbraw/zinc/66/88/81/1167668881.db2.gz AFYACOYFOIXHBQ-GUBZILKMSA-N -1 1 302.342 0.011 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)cc(F)c1 ZINC001592941859 1167670167 /nfs/dbraw/zinc/67/01/67/1167670167.db2.gz OEGWUVQFQMTUMJ-UHFFFAOYSA-N -1 1 306.236 0.375 20 0 DCADMM O=C(NC[C@@H](O)c1cccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593014026 1167687793 /nfs/dbraw/zinc/68/77/93/1167687793.db2.gz SRRLKRFZWKYUQU-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NC[C@@H](O)c1cccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593014026 1167687799 /nfs/dbraw/zinc/68/77/99/1167687799.db2.gz SRRLKRFZWKYUQU-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NCC1(C2(O)CCC2)CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593016720 1167687908 /nfs/dbraw/zinc/68/79/08/1167687908.db2.gz AWQNFMWOBARBBT-UHFFFAOYSA-N -1 1 314.349 0.687 20 0 DCADMM O=C(NCC1(C2(O)CCC2)CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593016720 1167687912 /nfs/dbraw/zinc/68/79/12/1167687912.db2.gz AWQNFMWOBARBBT-UHFFFAOYSA-N -1 1 314.349 0.687 20 0 DCADMM O=C(NC[C@H](O)c1ccncc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593013939 1167688755 /nfs/dbraw/zinc/68/87/55/1167688755.db2.gz PWYZFAWXUCPZGS-VIFPVBQESA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@H](O)c1ccncc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593013939 1167688758 /nfs/dbraw/zinc/68/87/58/1167688758.db2.gz PWYZFAWXUCPZGS-VIFPVBQESA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@H]1CC[C@@H](O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593030817 1167690464 /nfs/dbraw/zinc/69/04/64/1167690464.db2.gz XIMBJMSECSOXAJ-DTWKUNHWSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NC[C@H]1CC[C@@H](O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593030817 1167690466 /nfs/dbraw/zinc/69/04/66/1167690466.db2.gz XIMBJMSECSOXAJ-DTWKUNHWSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NCC[C@@H](O)C(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001593056803 1167694639 /nfs/dbraw/zinc/69/46/39/1167694639.db2.gz NGSVWYVGBGWDMJ-ZCFIWIBFSA-N -1 1 303.294 0.674 20 0 DCADMM O=C(NCCC1(CO)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593059065 1167695163 /nfs/dbraw/zinc/69/51/63/1167695163.db2.gz JIJJSSSZKKIYFH-UHFFFAOYSA-N -1 1 302.338 0.544 20 0 DCADMM O=C(NCCC1(CO)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593059065 1167695169 /nfs/dbraw/zinc/69/51/69/1167695169.db2.gz JIJJSSSZKKIYFH-UHFFFAOYSA-N -1 1 302.338 0.544 20 0 DCADMM O=C(NCCCc1c[nH][nH]c1=O)c1ccc(-c2nn[n-]n2)s1 ZINC001593067172 1167696812 /nfs/dbraw/zinc/69/68/12/1167696812.db2.gz VTCUATZTMDRFFT-ZETCQYMHSA-N -1 1 319.350 0.170 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)[C@H]1CC12CCC2 ZINC001593089826 1167702728 /nfs/dbraw/zinc/70/27/28/1167702728.db2.gz PAZKDPDUQCBHFJ-SECBINFHSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)[C@H]1CC12CCC2 ZINC001593089826 1167702735 /nfs/dbraw/zinc/70/27/35/1167702735.db2.gz PAZKDPDUQCBHFJ-SECBINFHSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)C1(C(F)F)CC1 ZINC001593089195 1167703621 /nfs/dbraw/zinc/70/36/21/1167703621.db2.gz BUEJESZLDHUTQY-UHFFFAOYSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)C1(C(F)F)CC1 ZINC001593089195 1167703625 /nfs/dbraw/zinc/70/36/25/1167703625.db2.gz BUEJESZLDHUTQY-UHFFFAOYSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)[C@H]1C[C@@H]1C(F)F ZINC001593095997 1167705836 /nfs/dbraw/zinc/70/58/36/1167705836.db2.gz QLCVDPLQISQMKI-BQBZGAKWSA-N -1 1 324.295 0.086 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)[C@H]1C[C@@H]1C(F)F ZINC001593095997 1167705841 /nfs/dbraw/zinc/70/58/41/1167705841.db2.gz QLCVDPLQISQMKI-BQBZGAKWSA-N -1 1 324.295 0.086 20 0 DCADMM O=C(NCCO[C@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001593096419 1167706614 /nfs/dbraw/zinc/70/66/14/1167706614.db2.gz FKGWSQAUOVBJHP-VIFPVBQESA-N -1 1 309.351 0.464 20 0 DCADMM O=C(NCCn1cccc1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001593107528 1167711455 /nfs/dbraw/zinc/71/14/55/1167711455.db2.gz OLODCJFJTUXSTN-UHFFFAOYSA-N -1 1 318.366 0.624 20 0 DCADMM O=C(NCCn1cccc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001593107528 1167711463 /nfs/dbraw/zinc/71/14/63/1167711463.db2.gz OLODCJFJTUXSTN-UHFFFAOYSA-N -1 1 318.366 0.624 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)OC1CCCCC1 ZINC001593112533 1167712181 /nfs/dbraw/zinc/71/21/81/1167712181.db2.gz OWIZZGSTBYKXDV-UHFFFAOYSA-N -1 1 306.330 0.517 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1c[nH]cc1C1CC1 ZINC001593111967 1167713057 /nfs/dbraw/zinc/71/30/57/1167713057.db2.gz JZKDJLLWZHYCCV-UHFFFAOYSA-N -1 1 313.325 0.094 20 0 DCADMM O=C(NC[C@H]1C[C@H](O)C1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593121104 1167715806 /nfs/dbraw/zinc/71/58/06/1167715806.db2.gz LWSMEKOCTOQBLQ-FKQCQYRASA-N -1 1 309.276 0.646 20 0 DCADMM O=C(NC[C@H]1C[C@H](O)C1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593121104 1167715812 /nfs/dbraw/zinc/71/58/12/1167715812.db2.gz LWSMEKOCTOQBLQ-FKQCQYRASA-N -1 1 309.276 0.646 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1C[C@@H](O)C1 ZINC001593137792 1167719546 /nfs/dbraw/zinc/71/95/46/1167719546.db2.gz UNOVUTOBPFHCAR-OCAPTIKFSA-N -1 1 308.367 0.498 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1n[nH]c2c1CCC2 ZINC001593147901 1167724682 /nfs/dbraw/zinc/72/46/82/1167724682.db2.gz JGOYNLLQYWJKGA-UHFFFAOYSA-N -1 1 310.321 0.404 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H]1CCC[C@H]1O ZINC001593151241 1167725783 /nfs/dbraw/zinc/72/57/83/1167725783.db2.gz SHZRMIUMGRRUDU-HTRCEHHLSA-N -1 1 309.355 0.036 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H]1CCC[C@H]1O ZINC001593151241 1167725793 /nfs/dbraw/zinc/72/57/93/1167725793.db2.gz SHZRMIUMGRRUDU-HTRCEHHLSA-N -1 1 309.355 0.036 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001593149122 1167728008 /nfs/dbraw/zinc/72/80/08/1167728008.db2.gz JZDJDAFFIOWNMR-OCAPTIKFSA-N -1 1 321.366 0.396 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001593149122 1167728013 /nfs/dbraw/zinc/72/80/13/1167728013.db2.gz JZDJDAFFIOWNMR-OCAPTIKFSA-N -1 1 321.366 0.396 20 0 DCADMM O=C(NCc1nc(C2CC2)no1)c1coc(-c2nnn[n-]2)c1 ZINC001593152619 1167729704 /nfs/dbraw/zinc/72/97/04/1167729704.db2.gz GOOFQZSWVQANMA-UHFFFAOYSA-N -1 1 301.266 0.650 20 0 DCADMM O=C(NCc1nc(C2CC2)no1)c1coc(-c2nn[n-]n2)c1 ZINC001593152619 1167729709 /nfs/dbraw/zinc/72/97/09/1167729709.db2.gz GOOFQZSWVQANMA-UHFFFAOYSA-N -1 1 301.266 0.650 20 0 DCADMM O=C(NCc1ncc[nH]1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593153213 1167729982 /nfs/dbraw/zinc/72/99/82/1167729982.db2.gz SQVWQHKNGBXROR-UHFFFAOYSA-N -1 1 305.248 0.798 20 0 DCADMM O=C(NCc1ncc[nH]1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593153213 1167729990 /nfs/dbraw/zinc/72/99/90/1167729990.db2.gz SQVWQHKNGBXROR-UHFFFAOYSA-N -1 1 305.248 0.798 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccnc(-c2nnn[n-]2)c1 ZINC001593182370 1167731434 /nfs/dbraw/zinc/73/14/34/1167731434.db2.gz GTWSOEDBWHVFDX-UONOGXRCSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccnc(-c2nn[n-]n2)c1 ZINC001593182370 1167731441 /nfs/dbraw/zinc/73/14/41/1167731441.db2.gz GTWSOEDBWHVFDX-UONOGXRCSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc2nccnc21 ZINC001593199637 1167733933 /nfs/dbraw/zinc/73/39/33/1167733933.db2.gz PSNWEJBIQWZXSS-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc2nccnc21 ZINC001593199637 1167733939 /nfs/dbraw/zinc/73/39/39/1167733939.db2.gz PSNWEJBIQWZXSS-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C1CCOCC1 ZINC001593197821 1167735787 /nfs/dbraw/zinc/73/57/87/1167735787.db2.gz ZCGJHRISJAMSFP-UHFFFAOYSA-N -1 1 303.326 0.832 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC2(C1)CCCOC2 ZINC001593243959 1167743265 /nfs/dbraw/zinc/74/32/65/1167743265.db2.gz SQVVSNOUFZLGBY-UHFFFAOYSA-N -1 1 315.337 0.906 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC2(C1)CCCOC2 ZINC001593243959 1167743272 /nfs/dbraw/zinc/74/32/72/1167743272.db2.gz SQVVSNOUFZLGBY-UHFFFAOYSA-N -1 1 315.337 0.906 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N[C@@H]1CC=CCC1 ZINC001593243589 1167743420 /nfs/dbraw/zinc/74/34/20/1167743420.db2.gz NHZWVSURWCLTDR-SECBINFHSA-N -1 1 313.321 0.425 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N[C@@H]1CC=CCC1 ZINC001593243589 1167743428 /nfs/dbraw/zinc/74/34/28/1167743428.db2.gz NHZWVSURWCLTDR-SECBINFHSA-N -1 1 313.321 0.425 20 0 DCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CC[C@@H]1CO ZINC001593263218 1167749407 /nfs/dbraw/zinc/74/94/07/1167749407.db2.gz IIPHWDBFJFLCRS-SCSAIBSYSA-N -1 1 315.746 0.575 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1sccc1-c1nn[n-]n1 ZINC001593285275 1167756996 /nfs/dbraw/zinc/75/69/96/1167756996.db2.gz ROAGCINTBUDFMX-WEDXCCLWSA-N -1 1 322.346 0.889 20 0 DCADMM O=C(OC1CCS(=O)(=O)CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593281803 1167759023 /nfs/dbraw/zinc/75/90/23/1167759023.db2.gz VOIJABPVMCDJIY-UHFFFAOYSA-N -1 1 312.307 0.194 20 0 DCADMM O=C(OC1CCS(=O)(=O)CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593281803 1167759032 /nfs/dbraw/zinc/75/90/32/1167759032.db2.gz VOIJABPVMCDJIY-UHFFFAOYSA-N -1 1 312.307 0.194 20 0 DCADMM O=C(OCC[C@H]1CCCNC1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593286946 1167761091 /nfs/dbraw/zinc/76/10/91/1167761091.db2.gz AAWFXCSDPFSEOP-MRVPVSSYSA-N -1 1 305.294 0.533 20 0 DCADMM O=C(OCCOC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001593290059 1167761758 /nfs/dbraw/zinc/76/17/58/1167761758.db2.gz DSPNIESHXMIXRK-VIFPVBQESA-N -1 1 308.294 0.812 20 0 DCADMM O=C(OCc1cc2n(n1)CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593293545 1167763156 /nfs/dbraw/zinc/76/31/56/1167763156.db2.gz INNPDKQASKYRES-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM O=C(OCc1cc2n(n1)CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593293545 1167763163 /nfs/dbraw/zinc/76/31/63/1167763163.db2.gz INNPDKQASKYRES-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1cc[nH]n1 ZINC001593337372 1167779190 /nfs/dbraw/zinc/77/91/90/1167779190.db2.gz ZRKKRXUMKQYGOA-LBPRGKRZSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1cc[nH]n1 ZINC001593337372 1167779200 /nfs/dbraw/zinc/77/92/00/1167779200.db2.gz ZRKKRXUMKQYGOA-LBPRGKRZSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1ccc(-c2nn[nH]n2)cc1)N1CC[NH2+]C[C@@H]1C(F)F ZINC001593336646 1167780101 /nfs/dbraw/zinc/78/01/01/1167780101.db2.gz YXIYTBDKLSNHHG-SNVBAGLBSA-N -1 1 308.292 0.546 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCNC(=O)CC12CCC2 ZINC001593384626 1167794281 /nfs/dbraw/zinc/79/42/81/1167794281.db2.gz SXHJBIBEFDXMHC-UHFFFAOYSA-N -1 1 316.321 0.345 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCNC(=O)CC12CCC2 ZINC001593384626 1167794286 /nfs/dbraw/zinc/79/42/86/1167794286.db2.gz SXHJBIBEFDXMHC-UHFFFAOYSA-N -1 1 316.321 0.345 20 0 DCADMM O=C1CCCN1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001593393271 1167805876 /nfs/dbraw/zinc/80/58/76/1167805876.db2.gz XJXCXIKPESJOPU-SNVBAGLBSA-N -1 1 314.353 0.248 20 0 DCADMM O=C1CCCN1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001593393271 1167805883 /nfs/dbraw/zinc/80/58/83/1167805883.db2.gz XJXCXIKPESJOPU-SNVBAGLBSA-N -1 1 314.353 0.248 20 0 DCADMM O=C1NCC2(CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)O1 ZINC001593404844 1167818116 /nfs/dbraw/zinc/81/81/16/1167818116.db2.gz LXKBPRMFWDRZCS-UHFFFAOYSA-N -1 1 307.701 0.214 20 0 DCADMM O=C1NCC2(CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)O1 ZINC001593404844 1167818128 /nfs/dbraw/zinc/81/81/28/1167818128.db2.gz LXKBPRMFWDRZCS-UHFFFAOYSA-N -1 1 307.701 0.214 20 0 DCADMM O=C1O[C@H](Cn2cccc(-c3nn[n-]n3)c2=O)CC12CCC2 ZINC001593412598 1167819080 /nfs/dbraw/zinc/81/90/80/1167819080.db2.gz CIGWDNGVHQOKRR-VIFPVBQESA-N -1 1 301.306 0.514 20 0 DCADMM O=CN1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001593414662 1167828526 /nfs/dbraw/zinc/82/85/26/1167828526.db2.gz SYZDUEZCWSDSDV-UHFFFAOYSA-N -1 1 307.745 0.584 20 0 DCADMM O=CN1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC001593414662 1167828548 /nfs/dbraw/zinc/82/85/48/1167828548.db2.gz SYZDUEZCWSDSDV-UHFFFAOYSA-N -1 1 307.745 0.584 20 0 DCADMM O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC001593442671 1167841241 /nfs/dbraw/zinc/84/12/41/1167841241.db2.gz BPJZNXCXSZUGSS-ZETCQYMHSA-N -1 1 315.380 0.386 20 0 DCADMM O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC001593442671 1167841253 /nfs/dbraw/zinc/84/12/53/1167841253.db2.gz BPJZNXCXSZUGSS-ZETCQYMHSA-N -1 1 315.380 0.386 20 0 DCADMM O=S1(=NCCNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001593461138 1167849970 /nfs/dbraw/zinc/84/99/70/1167849970.db2.gz RFAGYLPELWIKPB-UHFFFAOYSA-N -1 1 308.371 0.330 20 0 DCADMM O=S1(=NCCNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001593461138 1167849989 /nfs/dbraw/zinc/84/99/89/1167849989.db2.gz RFAGYLPELWIKPB-UHFFFAOYSA-N -1 1 308.371 0.330 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1cnc(Cl)c(F)c1 ZINC001593489183 1167873297 /nfs/dbraw/zinc/87/32/97/1167873297.db2.gz CRWGEIGITSUIGR-UHFFFAOYSA-N -1 1 323.675 0.365 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCO[C@H](CCF)C1 ZINC001593492944 1167875080 /nfs/dbraw/zinc/87/50/80/1167875080.db2.gz REQLBZHJJGRFAL-SNVBAGLBSA-N -1 1 308.317 0.046 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@H]1C[C@]13CCOC3)CCC2 ZINC001593491870 1167876614 /nfs/dbraw/zinc/87/66/14/1167876614.db2.gz AJFKZNCQHHDJGN-BZNIZROVSA-N -1 1 313.361 0.944 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1CCc1c(F)cccc1F ZINC001593493187 1167877770 /nfs/dbraw/zinc/87/77/70/1167877770.db2.gz BAENKWBPWAGQHZ-UHFFFAOYSA-N -1 1 304.260 0.944 20 0 DCADMM O=c1cc(CNc2ncncc2-c2nn[n-]n2)nc2ccccn12 ZINC001593495839 1167881426 /nfs/dbraw/zinc/88/14/26/1167881426.db2.gz XTOZYXTXQDTARI-UHFFFAOYSA-N -1 1 321.304 0.277 20 0 DCADMM O[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1c[nH]cn1 ZINC001593510007 1167887857 /nfs/dbraw/zinc/88/78/57/1167887857.db2.gz VNSHNZMUMYRZQL-LLVKDONJSA-N -1 1 323.320 0.679 20 0 DCADMM O[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC2(CCOCC2)C1 ZINC001593519960 1167896364 /nfs/dbraw/zinc/89/63/64/1167896364.db2.gz ROWLQRVAISPMPX-JTQLQIEISA-N -1 1 317.353 0.025 20 0 DCADMM O[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC2(CCOCC2)C1 ZINC001593519960 1167896372 /nfs/dbraw/zinc/89/63/72/1167896372.db2.gz ROWLQRVAISPMPX-JTQLQIEISA-N -1 1 317.353 0.025 20 0 DCADMM OC[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001593522183 1167898770 /nfs/dbraw/zinc/89/87/70/1167898770.db2.gz CMVITRBXLBEEDU-SNVBAGLBSA-N -1 1 315.312 0.406 20 0 DCADMM OCCc1nnc(NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001593531133 1167907703 /nfs/dbraw/zinc/90/77/03/1167907703.db2.gz AUAUJLHYHFINKA-UHFFFAOYSA-N -1 1 309.380 0.927 20 0 DCADMM OCCCOC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001593531053 1167908678 /nfs/dbraw/zinc/90/86/78/1167908678.db2.gz GTQIHBWUBJSVHL-UHFFFAOYSA-N -1 1 305.342 0.025 20 0 DCADMM OCCCOC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001593531053 1167908694 /nfs/dbraw/zinc/90/86/94/1167908694.db2.gz GTQIHBWUBJSVHL-UHFFFAOYSA-N -1 1 305.342 0.025 20 0 DCADMM c1nnnn1-c1ccc(NCc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001593554290 1167932433 /nfs/dbraw/zinc/93/24/33/1167932433.db2.gz OENSYWYQZZDECG-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nnnn1-c1ccc(NCc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001593554290 1167932439 /nfs/dbraw/zinc/93/24/39/1167932439.db2.gz OENSYWYQZZDECG-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nn(-c2ccccc2)nc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001593570032 1167945120 /nfs/dbraw/zinc/94/51/20/1167945120.db2.gz POXRLFNAHAUULI-UHFFFAOYSA-N -1 1 308.309 0.783 20 0 DCADMM c1nn(-c2ccccc2)nc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001593570032 1167945129 /nfs/dbraw/zinc/94/51/29/1167945129.db2.gz POXRLFNAHAUULI-UHFFFAOYSA-N -1 1 308.309 0.783 20 0 DCADMM c1cn([C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC001593582682 1167949686 /nfs/dbraw/zinc/94/96/86/1167949686.db2.gz XNKXPAKGRHLKNV-SNVBAGLBSA-N -1 1 312.341 0.480 20 0 DCADMM c1cn([C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC001593582682 1167949690 /nfs/dbraw/zinc/94/96/90/1167949690.db2.gz XNKXPAKGRHLKNV-SNVBAGLBSA-N -1 1 312.341 0.480 20 0 DCADMM c1cn([C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC001593582681 1167950491 /nfs/dbraw/zinc/95/04/91/1167950491.db2.gz XNKXPAKGRHLKNV-JTQLQIEISA-N -1 1 312.341 0.480 20 0 DCADMM c1cn([C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC001593582681 1167950494 /nfs/dbraw/zinc/95/04/94/1167950494.db2.gz XNKXPAKGRHLKNV-JTQLQIEISA-N -1 1 312.341 0.480 20 0 DCADMM c1cnc(N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001593585332 1167953126 /nfs/dbraw/zinc/95/31/26/1167953126.db2.gz ZLJDHNIWLAFWJZ-VIFPVBQESA-N -1 1 310.325 0.138 20 0 DCADMM c1cnc(N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001593585332 1167953129 /nfs/dbraw/zinc/95/31/29/1167953129.db2.gz ZLJDHNIWLAFWJZ-VIFPVBQESA-N -1 1 310.325 0.138 20 0 DCADMM c1ncc(N2CCO[C@]3(CCSC3)C2)nc1-c1nnn[n-]1 ZINC001593593062 1167956632 /nfs/dbraw/zinc/95/66/32/1167956632.db2.gz JXBDBXDRYMGGGU-GFCCVEGCSA-N -1 1 305.367 0.369 20 0 DCADMM c1ncc(N2CCO[C@]3(CCSC3)C2)nc1-c1nn[n-]n1 ZINC001593593062 1167956637 /nfs/dbraw/zinc/95/66/37/1167956637.db2.gz JXBDBXDRYMGGGU-GFCCVEGCSA-N -1 1 305.367 0.369 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(NC[C@H]2COC3(CCCC3)O2)n1 ZINC001593595484 1167958672 /nfs/dbraw/zinc/95/86/72/1167958672.db2.gz RIEDNNVKKHOXAA-VIFPVBQESA-N -1 1 303.326 0.754 20 0 DCADMM c1sc(CN2CCN([C@H]3CCOC3)CC2)nc1-c1nnn[n-]1 ZINC001593596138 1167959709 /nfs/dbraw/zinc/95/97/09/1167959709.db2.gz NFWRXBUCIFBFCM-JTQLQIEISA-N -1 1 321.410 0.230 20 0 DCADMM c1sc(CN2CCN([C@H]3CCOC3)CC2)nc1-c1nn[n-]n1 ZINC001593596138 1167959713 /nfs/dbraw/zinc/95/97/13/1167959713.db2.gz NFWRXBUCIFBFCM-JTQLQIEISA-N -1 1 321.410 0.230 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cn4ccccc4n3)nc2n1 ZINC001596081181 1167986859 /nfs/dbraw/zinc/98/68/59/1167986859.db2.gz JQXQYWCPESNYDG-UHFFFAOYSA-N -1 1 309.289 0.626 20 0 DCADMM Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)oc1C(=O)[O-] ZINC001600080632 1168113449 /nfs/dbraw/zinc/11/34/49/1168113449.db2.gz TXGDMCWNINWAKR-MNOVXSKESA-N -1 1 308.334 0.567 20 0 DCADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)oc1C(=O)[O-] ZINC001600082010 1168113840 /nfs/dbraw/zinc/11/38/40/1168113840.db2.gz HAENAPMCUHRSDR-MRVPVSSYSA-N -1 1 305.294 0.819 20 0 DCADMM Cc1cc(C(=O)[O-])c(NC(=O)C(=O)NCCc2nc[nH]n2)s1 ZINC001600103093 1168119837 /nfs/dbraw/zinc/11/98/37/1168119837.db2.gz WYYPLMNQLKRCAV-UHFFFAOYSA-N -1 1 323.334 0.170 20 0 DCADMM Cc1cc(CCC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)no1 ZINC001600189025 1168133303 /nfs/dbraw/zinc/13/33/03/1168133303.db2.gz IJNVHSFMFFTHGG-LLVKDONJSA-N -1 1 309.366 0.923 20 0 DCADMM Cc1cc(C[C@H](C)NC(=O)Nc2cc(C(=O)[O-])n(C)n2)n[nH]1 ZINC001600189478 1168133692 /nfs/dbraw/zinc/13/36/92/1168133692.db2.gz OWZMOAFWHGPELG-ZETCQYMHSA-N -1 1 306.326 0.903 20 0 DCADMM Cc1cc(C[C@@H](C)NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)n[nH]1 ZINC001600188283 1168133791 /nfs/dbraw/zinc/13/37/91/1168133791.db2.gz DIGNJFOLSXHVAY-QRTLGDNMSA-N -1 1 310.354 0.533 20 0 DCADMM Cc1cc(S(=O)(=O)N2C[C@H](C)NC[C@@H]2C)oc1C(=O)[O-] ZINC001600293261 1168156849 /nfs/dbraw/zinc/15/68/49/1168156849.db2.gz LMKJGHPITMXECR-IUCAKERBSA-N -1 1 302.352 0.657 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@H]1C(=O)NCC[C@@H]1C ZINC001600355071 1168172437 /nfs/dbraw/zinc/17/24/37/1168172437.db2.gz AIARARWSPXOTIQ-IINYFYTJSA-N -1 1 319.361 0.746 20 0 DCADMM Cc1cccc(C[C@H](CNC(=O)[C@@]2(C)CNCCO2)C(=O)[O-])c1 ZINC001600528095 1168196026 /nfs/dbraw/zinc/19/60/26/1168196026.db2.gz TUCLLVZHRDZDOF-RHSMWYFYSA-N -1 1 320.389 0.733 20 0 DCADMM Cc1cccc(CNC(=O)CN2CCN(CC(=O)[O-])CC2)c1 ZINC001600531831 1168196051 /nfs/dbraw/zinc/19/60/51/1168196051.db2.gz VSEGRGYBOFWRHV-UHFFFAOYSA-N -1 1 305.378 0.313 20 0 DCADMM Cc1ccccc1CCNC(=O)CN1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600579685 1168201772 /nfs/dbraw/zinc/20/17/72/1168201772.db2.gz IXHKWZRGCPTIPF-LSDHHAIUSA-N -1 1 320.389 0.421 20 0 DCADMM Cc1nc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c(C)o1 ZINC001600702020 1168258260 /nfs/dbraw/zinc/25/82/60/1168258260.db2.gz WPHQSNBEHWSYDW-XQHKEYJVSA-N -1 1 321.377 0.997 20 0 DCADMM Cc1nc2cccc(C(=O)NC3(C(=O)[O-])CC(CO)C3)c2[nH]1 ZINC001600720873 1168262802 /nfs/dbraw/zinc/26/28/02/1168262802.db2.gz NDCBPLWFWYZBMF-UHFFFAOYSA-N -1 1 303.318 0.827 20 0 DCADMM Cc1ncsc1C=CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600761188 1168281500 /nfs/dbraw/zinc/28/15/00/1168281500.db2.gz YCTUHUFLCQPZSD-MXQLGCADSA-N -1 1 306.347 1.000 20 0 DCADMM Cc1nn(C)cc1CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001600775734 1168289687 /nfs/dbraw/zinc/28/96/87/1168289687.db2.gz HKXGTCJPDZBREX-LLVKDONJSA-N -1 1 308.382 0.278 20 0 DCADMM Cc1oc(CN(C)C(=O)C(=O)N2CCNC[C@@H]2C)cc1C(=O)[O-] ZINC001600841030 1168482625 /nfs/dbraw/zinc/48/26/25/1168482625.db2.gz SYXJFPGOXLCEDF-VIFPVBQESA-N -1 1 323.349 0.065 20 0 DCADMM CN1CC(C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])=NC1=O ZINC001600931506 1168512805 /nfs/dbraw/zinc/51/28/05/1168512805.db2.gz VYESLFSRACQWSA-SECBINFHSA-N -1 1 305.290 0.257 20 0 DCADMM Cn1cc(C(=O)[O-])c(NC(=O)N2CCC(c3nn[nH]n3)CC2)n1 ZINC001600932131 1168514416 /nfs/dbraw/zinc/51/44/16/1168514416.db2.gz HAPUUHQHMGPWCO-UHFFFAOYSA-N -1 1 320.313 0.043 20 0 DCADMM Cn1ccnc1-c1cc(NC(=O)Cn2ccc(C(=O)[O-])n2)[nH]n1 ZINC001600981463 1168544468 /nfs/dbraw/zinc/54/44/68/1168544468.db2.gz QXLYLPVSUAPGIH-UHFFFAOYSA-N -1 1 315.293 0.344 20 0 DCADMM Cn1nc2c(c1CN1CCC([C@H](O)C(=O)[O-])CC1)CCCC2 ZINC001601017885 1168565511 /nfs/dbraw/zinc/56/55/11/1168565511.db2.gz PVIQEUURDMHYIO-HNNXBMFYSA-N -1 1 307.394 0.956 20 0 DCADMM Cn1nccc1[C@@H](NCCOC(=O)Cc1ccccc1)C(=O)[O-] ZINC001601034431 1168573068 /nfs/dbraw/zinc/57/30/68/1168573068.db2.gz JZVVZFWHIONIJY-OAHLLOKOSA-N -1 1 317.345 0.921 20 0 DCADMM Cn1nccc1[C@H](NC(=O)c1cc(F)cc2nc[nH]c21)C(=O)[O-] ZINC001601034555 1168573142 /nfs/dbraw/zinc/57/31/42/1168573142.db2.gz ZLIMWLGGKDLWIC-LBPRGKRZSA-N -1 1 317.280 0.991 20 0 DCADMM N[C@H](C(=O)N[C@@H](Cc1cncs1)C(=O)[O-])c1ccccc1 ZINC001601174194 1168621723 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20 0 DCADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]2COC[C@H]2O1 ZINC001603786821 1169391759 /nfs/dbraw/zinc/39/17/59/1169391759.db2.gz HUQAMTRTEOTYNZ-RKDXNWHRSA-N -1 1 303.326 0.039 20 0 DCADMM CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603795626 1169394836 /nfs/dbraw/zinc/39/48/36/1169394836.db2.gz XKSIHOMBANYHEX-RMLUDKJBSA-N -1 1 315.337 0.951 20 0 DCADMM CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603795626 1169394848 /nfs/dbraw/zinc/39/48/48/1169394848.db2.gz XKSIHOMBANYHEX-RMLUDKJBSA-N -1 1 315.337 0.951 20 0 DCADMM CC1(C)OC[C@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)O1 ZINC001603794047 1169395517 /nfs/dbraw/zinc/39/55/17/1169395517.db2.gz CZOXNQLUKJIXCF-JTQLQIEISA-N -1 1 318.337 0.072 20 0 DCADMM CC1(C)OC[C@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)O1 ZINC001603794047 1169395525 /nfs/dbraw/zinc/39/55/25/1169395525.db2.gz CZOXNQLUKJIXCF-JTQLQIEISA-N -1 1 318.337 0.072 20 0 DCADMM CC1(CCC(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001603800740 1169397880 /nfs/dbraw/zinc/39/78/80/1169397880.db2.gz RJOGCGRPLSTKIX-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC1(CCC(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001603800740 1169397886 /nfs/dbraw/zinc/39/78/86/1169397886.db2.gz RJOGCGRPLSTKIX-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC1=C[C@H](C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603827238 1169405806 /nfs/dbraw/zinc/40/58/06/1169405806.db2.gz MDXXSCSGLUNFON-VIFPVBQESA-N -1 1 320.378 0.848 20 0 DCADMM CC1=C[C@H](C)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603827238 1169405808 /nfs/dbraw/zinc/40/58/08/1169405808.db2.gz MDXXSCSGLUNFON-VIFPVBQESA-N -1 1 320.378 0.848 20 0 DCADMM CC(C)C[C@@H](CN(C)C)NS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001603833231 1169407595 /nfs/dbraw/zinc/40/75/95/1169407595.db2.gz OXFVTYVYULEGKI-NSHDSACASA-N -1 1 306.428 0.889 20 0 DCADMM C[C@@H](CNC(=O)C1CC(C)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603844009 1169410589 /nfs/dbraw/zinc/41/05/89/1169410589.db2.gz WHTNKFRORMOUMF-KYHHOPLUSA-N -1 1 316.369 0.619 20 0 DCADMM 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CCCC(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001604126395 1169500494 /nfs/dbraw/zinc/50/04/94/1169500494.db2.gz LUIDQEBSIUVQDI-VIFPVBQESA-N -1 1 304.358 0.621 20 0 DCADMM CCCCC(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001604157315 1169506955 /nfs/dbraw/zinc/50/69/55/1169506955.db2.gz DIFLELJZPORNED-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCCC(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001604157315 1169506958 /nfs/dbraw/zinc/50/69/58/1169506958.db2.gz DIFLELJZPORNED-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM C[C@](CO)(NC(=O)c1cccc(Br)c1O)C(=O)[O-] ZINC001604193433 1169520649 /nfs/dbraw/zinc/52/06/49/1169520649.db2.gz OOJHBMVFAKYZIP-LLVKDONJSA-N -1 1 318.123 0.720 20 0 DCADMM C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001604242258 1169531278 /nfs/dbraw/zinc/53/12/78/1169531278.db2.gz XJRICULBPSECIJ-YMTOWFKASA-N -1 1 306.322 0.420 20 0 DCADMM CCCc1nnc(SCc2nc(-c3nnn[n-]3)cs2)n1N ZINC001604247656 1169532585 /nfs/dbraw/zinc/53/25/85/1169532585.db2.gz GKQPZYNRHYHPDT-UHFFFAOYSA-N 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DCADMM CCO[C@H]1COCC[C@@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001604413969 1169588749 /nfs/dbraw/zinc/58/87/49/1169588749.db2.gz NIQBKTUAUCCHJX-ONGXEEELSA-N -1 1 305.342 0.571 20 0 DCADMM C[C@@H](Oc1ccccc1CNCc1n[nH]c(CO)n1)C(=O)[O-] ZINC001604443789 1169594541 /nfs/dbraw/zinc/59/45/41/1169594541.db2.gz RKZTUFQQCQDYEZ-SECBINFHSA-N -1 1 306.322 0.439 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](n3cccn3)C2)n1 ZINC001604544156 1169613037 /nfs/dbraw/zinc/61/30/37/1169613037.db2.gz FFDMLRKQFGJVMA-JTQLQIEISA-N -1 1 311.353 0.867 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](n3cccn3)C2)n1 ZINC001604544156 1169613039 /nfs/dbraw/zinc/61/30/39/1169613039.db2.gz FFDMLRKQFGJVMA-JTQLQIEISA-N -1 1 311.353 0.867 20 0 DCADMM CC1(C)CNC(=O)[C@H]1NCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001604546487 1169614891 /nfs/dbraw/zinc/61/48/91/1169614891.db2.gz LPZORJUDHXKHKK-LLVKDONJSA-N -1 1 311.382 0.004 20 0 DCADMM CCc1nc(N[C@@H]2CCCC23OCCO3)cc(-c2nnn[n-]2)n1 ZINC001604559853 1169616674 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COC[C@@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001605054779 1169798491 /nfs/dbraw/zinc/79/84/91/1169798491.db2.gz GWCNXGMYWCKHRU-MRVPVSSYSA-N -1 1 323.382 0.547 20 0 DCADMM COC[C@@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001605054779 1169798496 /nfs/dbraw/zinc/79/84/96/1169798496.db2.gz GWCNXGMYWCKHRU-MRVPVSSYSA-N -1 1 323.382 0.547 20 0 DCADMM COCC1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCOCC1 ZINC001605064830 1169804068 /nfs/dbraw/zinc/80/40/68/1169804068.db2.gz IXXVGOMYWNRHGJ-UHFFFAOYSA-N -1 1 318.337 0.643 20 0 DCADMM COCC1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCOCC1 ZINC001605064830 1169804076 /nfs/dbraw/zinc/80/40/76/1169804076.db2.gz IXXVGOMYWNRHGJ-UHFFFAOYSA-N -1 1 318.337 0.643 20 0 DCADMM COCCO[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001605108814 1169830453 /nfs/dbraw/zinc/83/04/53/1169830453.db2.gz XYZWGGVUXCIPHF-SNVBAGLBSA-N -1 1 305.342 0.207 20 0 DCADMM COCCO[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001605108814 1169830467 /nfs/dbraw/zinc/83/04/67/1169830467.db2.gz XYZWGGVUXCIPHF-SNVBAGLBSA-N -1 1 305.342 0.207 20 0 DCADMM COCc1nocc1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001605139756 1169840721 /nfs/dbraw/zinc/84/07/21/1169840721.db2.gz NGCXYFKRVRTZLL-UHFFFAOYSA-N -1 1 322.306 0.815 20 0 DCADMM COCc1nocc1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001605139756 1169840731 /nfs/dbraw/zinc/84/07/31/1169840731.db2.gz NGCXYFKRVRTZLL-UHFFFAOYSA-N -1 1 322.306 0.815 20 0 DCADMM CCCCCC[C@](O)(CN1C[C@@H](C)O[C@H](CO)C1)C(=O)[O-] ZINC001605265863 1169883451 /nfs/dbraw/zinc/88/34/51/1169883451.db2.gz OGQHAYIXQVGRNL-IPYPFGDCSA-N -1 1 303.399 0.854 20 0 DCADMM CCCN(CCN1CCCC1)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001605316348 1169892893 /nfs/dbraw/zinc/89/28/93/1169892893.db2.gz LJBKYYSHYZEORN-UHFFFAOYSA-N -1 1 318.439 0.989 20 0 DCADMM COc1ncc(NC(=O)NC[C@@H]2CCCO2)cc1-c1nn[n-]n1 ZINC001605345928 1169899426 /nfs/dbraw/zinc/89/94/26/1169899426.db2.gz BNDDWNZOICQNPD-VIFPVBQESA-N -1 1 319.325 0.571 20 0 DCADMM COc1ncc(NC(=O)[C@H]2CCOC[C@@H]2C)cc1-c1nn[n-]n1 ZINC001605348326 1169900273 /nfs/dbraw/zinc/90/02/73/1169900273.db2.gz NLGUAROCNFFCAR-WPRPVWTQSA-N -1 1 318.337 0.881 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001605352555 1169900861 /nfs/dbraw/zinc/90/08/61/1169900861.db2.gz SVDQCXSGBMANMO-RKDXNWHRSA-N -1 1 323.382 0.424 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001605352555 1169900865 /nfs/dbraw/zinc/90/08/65/1169900865.db2.gz SVDQCXSGBMANMO-RKDXNWHRSA-N -1 1 323.382 0.424 20 0 DCADMM CCN(CC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1)C1CC1 ZINC001605411431 1169913776 /nfs/dbraw/zinc/91/37/76/1169913776.db2.gz KEBBMCFKKSUTGL-UHFFFAOYSA-N -1 1 309.366 0.693 20 0 DCADMM C[C@@H]1[C@H](O)CCCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001605431956 1169918084 /nfs/dbraw/zinc/91/80/84/1169918084.db2.gz RIPYUTGCCLXTFC-LDYMZIIASA-N -1 1 301.354 0.884 20 0 DCADMM C[C@@H]1[C@H](O)CCCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001605431956 1169918089 /nfs/dbraw/zinc/91/80/89/1169918089.db2.gz RIPYUTGCCLXTFC-LDYMZIIASA-N -1 1 301.354 0.884 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001605426974 1169918369 /nfs/dbraw/zinc/91/83/69/1169918369.db2.gz SUBZULBMNZSINN-SCZZXKLOSA-N -1 1 314.353 0.150 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001605426974 1169918377 /nfs/dbraw/zinc/91/83/77/1169918377.db2.gz SUBZULBMNZSINN-SCZZXKLOSA-N -1 1 314.353 0.150 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)CF ZINC001605457466 1169928788 /nfs/dbraw/zinc/92/87/88/1169928788.db2.gz PHOJTTGPPCDNDR-ZETCQYMHSA-N -1 1 322.344 0.991 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(CC(=O)CC(C)(C)C)c(=O)n1C ZINC001605463114 1169930609 /nfs/dbraw/zinc/93/06/09/1169930609.db2.gz PRYNWXMROAIILJ-UHFFFAOYSA-N -1 1 320.353 0.041 20 0 DCADMM CCN1CCCN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)CC1 ZINC001605479151 1169934681 /nfs/dbraw/zinc/93/46/81/1169934681.db2.gz ULLNUNQBDGGSAK-UHFFFAOYSA-N -1 1 318.439 0.987 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCCO[C@H](C)C1 ZINC001605506642 1169941788 /nfs/dbraw/zinc/94/17/88/1169941788.db2.gz JFZOLYJMNYCGNP-SECBINFHSA-N -1 1 318.337 0.527 20 0 DCADMM CCOC(=O)C1(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)CC1 ZINC001605516720 1169946818 /nfs/dbraw/zinc/94/68/18/1169946818.db2.gz QUNAEMNEXFYVRP-NSHDSACASA-N -1 1 312.366 0.337 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[S@](=O)[C@@H](C)[C@@H]2C)n1 ZINC001605564396 1169960820 /nfs/dbraw/zinc/96/08/20/1169960820.db2.gz WTPWGSRWLLDGKI-SYLNSOGPSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[S@](=O)[C@@H](C)[C@@H]2C)n1 ZINC001605564396 1169960826 /nfs/dbraw/zinc/96/08/26/1169960826.db2.gz WTPWGSRWLLDGKI-SYLNSOGPSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)C2(S(C)(=O)=O)CC2)n1 ZINC001605567901 1169962321 /nfs/dbraw/zinc/96/23/21/1169962321.db2.gz VCWHIHAITUXJBZ-QMMMGPOBSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)C2(S(C)(=O)=O)CC2)n1 ZINC001605567901 1169962324 /nfs/dbraw/zinc/96/23/24/1169962324.db2.gz VCWHIHAITUXJBZ-QMMMGPOBSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)C2CC2)n1 ZINC001605566575 1169962887 /nfs/dbraw/zinc/96/28/87/1169962887.db2.gz CULMKZSUEAITFU-MRVPVSSYSA-N -1 1 302.342 0.292 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)C2CC2)n1 ZINC001605566575 1169962888 /nfs/dbraw/zinc/96/28/88/1169962888.db2.gz CULMKZSUEAITFU-MRVPVSSYSA-N -1 1 302.342 0.292 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCOC[C@H]2CCOC2)n1 ZINC001605578427 1169964584 /nfs/dbraw/zinc/96/45/84/1169964584.db2.gz MFGCPCNOTBCJQN-LLVKDONJSA-N -1 1 319.369 0.820 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCOC[C@H]2CCOC2)n1 ZINC001605578427 1169964594 /nfs/dbraw/zinc/96/45/94/1169964594.db2.gz MFGCPCNOTBCJQN-LLVKDONJSA-N -1 1 319.369 0.820 20 0 DCADMM CCOC[C@H](C(=O)[O-])N(C)C[C@@H](O)C[C@H](O)c1ccccc1 ZINC001605623292 1169975887 /nfs/dbraw/zinc/97/58/87/1169975887.db2.gz AGHGHDBKFTYJEB-ZNMIVQPWSA-N -1 1 311.378 0.893 20 0 DCADMM CCOc1cncc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001605714712 1169990682 /nfs/dbraw/zinc/99/06/82/1169990682.db2.gz OOBMEWALENAYKD-HNNXBMFYSA-N -1 1 322.365 0.241 20 0 DCADMM CCS(=O)(=O)CCN[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001605726380 1169994457 /nfs/dbraw/zinc/99/44/57/1169994457.db2.gz BCSFHIJWDJVUIM-VIFPVBQESA-N -1 1 301.368 0.441 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC001605802709 1170003937 /nfs/dbraw/zinc/00/39/37/1170003937.db2.gz DHZVQXOHNKLZNX-UWVGGRQHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC001605802709 1170003943 /nfs/dbraw/zinc/00/39/43/1170003943.db2.gz DHZVQXOHNKLZNX-UWVGGRQHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001605849539 1170012216 /nfs/dbraw/zinc/01/22/16/1170012216.db2.gz DMMIRBFYLGRERE-JTQLQIEISA-N -1 1 312.337 0.644 20 0 DCADMM Cc1ccc(N2CC[C@]3(CCOC3=O)C2)c(-c2nnn[n-]2)n1 ZINC001605865115 1170016502 /nfs/dbraw/zinc/01/65/02/1170016502.db2.gz RQBFVIBQXHUKLN-AWEZNQCLSA-N -1 1 300.322 0.714 20 0 DCADMM Cc1ccc(N2CC[C@]3(CCOC3=O)C2)c(-c2nn[n-]n2)n1 ZINC001605865115 1170016509 /nfs/dbraw/zinc/01/65/09/1170016509.db2.gz RQBFVIBQXHUKLN-AWEZNQCLSA-N -1 1 300.322 0.714 20 0 DCADMM CCn1cnc2c1CCN(CCc1cn(CC(=O)[O-])nn1)C2 ZINC001605933196 1170029620 /nfs/dbraw/zinc/02/96/20/1170029620.db2.gz YYESQNSGFSRXJB-UHFFFAOYSA-N -1 1 304.354 0.180 20 0 DCADMM Cc1cn2c(n1)CN(Cn1cccc(-c3nn[n-]n3)c1=O)CC2 ZINC001605971148 1170039235 /nfs/dbraw/zinc/03/92/35/1170039235.db2.gz ZFMMIOCPUMNXNW-UHFFFAOYSA-N -1 1 312.337 0.007 20 0 DCADMM Cc1[nH]nc(NC(=O)CCCn2cccn2)c1-c1nn[n-]n1 ZINC001606013504 1170048413 /nfs/dbraw/zinc/04/84/13/1170048413.db2.gz SBENBFAWYQFLCL-UHFFFAOYSA-N -1 1 301.314 0.514 20 0 DCADMM Cc1[nH]nc(NC(=O)c2csc3cncn32)c1-c1nn[n-]n1 ZINC001606014430 1170049964 /nfs/dbraw/zinc/04/99/64/1170049964.db2.gz XSQBPZSCLBHISI-UHFFFAOYSA-N -1 1 315.322 0.860 20 0 DCADMM Cc1nc(-c2nn[n-]n2)c(N2NC(=O)[C@@H](C)S[C@H](C)C2=O)o1 ZINC001606019658 1170053464 /nfs/dbraw/zinc/05/34/64/1170053464.db2.gz MKEVKMSLOVOLBP-RFZPGFLSSA-N -1 1 323.338 0.051 20 0 DCADMM Cc1nc(N[C@H]2C[C@@H]3CCCCN3C2=O)cc(-c2nnn[n-]2)n1 ZINC001606064053 1170068153 /nfs/dbraw/zinc/06/81/53/1170068153.db2.gz VQKZVUXLJUGGJX-ONGXEEELSA-N -1 1 314.353 0.530 20 0 DCADMM Cc1nc(N[C@H]2C[C@@H]3CCCCN3C2=O)cc(-c2nn[n-]n2)n1 ZINC001606064053 1170068154 /nfs/dbraw/zinc/06/81/54/1170068154.db2.gz VQKZVUXLJUGGJX-ONGXEEELSA-N -1 1 314.353 0.530 20 0 DCADMM Cc1nc(NCCN2CCO[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001606074143 1170070545 /nfs/dbraw/zinc/07/05/45/1170070545.db2.gz ZETSLWXIEHMLGL-VIFPVBQESA-N -1 1 304.358 0.098 20 0 DCADMM Cc1ncoc1CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606102528 1170077007 /nfs/dbraw/zinc/07/70/07/1170077007.db2.gz MNXSUBYHUCCTRW-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1ncoc1CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606102528 1170077012 /nfs/dbraw/zinc/07/70/12/1170077012.db2.gz MNXSUBYHUCCTRW-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ccnc(F)c2)c1-c1nnn[n-]1 ZINC001606113050 1170079525 /nfs/dbraw/zinc/07/95/25/1170079525.db2.gz VNOQUGPSCKEOKD-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ccnc(F)c2)c1-c1nn[n-]n1 ZINC001606113050 1170079533 /nfs/dbraw/zinc/07/95/33/1170079533.db2.gz VNOQUGPSCKEOKD-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1nn(CC[C@@H]2CCCCO2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114436 1170079967 /nfs/dbraw/zinc/07/99/67/1170079967.db2.gz OJHMBHLBEORIGV-NSHDSACASA-N -1 1 304.354 0.999 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H](C)n2cccn2)c1-c1nnn[n-]1 ZINC001606109932 1170080030 /nfs/dbraw/zinc/08/00/30/1170080030.db2.gz DCXLOEFISHLLLR-QMMMGPOBSA-N -1 1 301.314 0.305 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H](C)n2cccn2)c1-c1nn[n-]n1 ZINC001606109932 1170080035 /nfs/dbraw/zinc/08/00/35/1170080035.db2.gz DCXLOEFISHLLLR-QMMMGPOBSA-N -1 1 301.314 0.305 20 0 DCADMM Cc1nnc(N(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)s1 ZINC001606120742 1170082971 /nfs/dbraw/zinc/08/29/71/1170082971.db2.gz HJSVSHBNBVRTKP-UHFFFAOYSA-N -1 1 320.338 0.529 20 0 DCADMM Cc1nnc(N(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)s1 ZINC001606120742 1170082976 /nfs/dbraw/zinc/08/29/76/1170082976.db2.gz HJSVSHBNBVRTKP-UHFFFAOYSA-N -1 1 320.338 0.529 20 0 DCADMM CN(CCN1CCCC1)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001606127249 1170086126 /nfs/dbraw/zinc/08/61/26/1170086126.db2.gz NRRJEDLFRIKAJK-CHWSQXEVSA-N -1 1 318.439 0.987 20 0 DCADMM Cc1nsc(C)c1Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001606139103 1170092270 /nfs/dbraw/zinc/09/22/70/1170092270.db2.gz AEHDIZJJRAQTHO-UHFFFAOYSA-N -1 1 305.323 0.251 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC001606166344 1170097942 /nfs/dbraw/zinc/09/79/42/1170097942.db2.gz BIKVLFBCIZGJPM-IMTBSYHQSA-N -1 1 314.309 0.795 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC001606166344 1170097948 /nfs/dbraw/zinc/09/79/48/1170097948.db2.gz BIKVLFBCIZGJPM-IMTBSYHQSA-N -1 1 314.309 0.795 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC001606167746 1170101360 /nfs/dbraw/zinc/10/13/60/1170101360.db2.gz VRKURZWMPWEYQO-PELKAZGASA-N -1 1 320.353 0.217 20 0 DCADMM Cn1c(=O)[nH]c(N2CCCC(C)(C)CC2)c(-c2nn[n-]n2)c1=O ZINC001606201755 1170109400 /nfs/dbraw/zinc/10/94/00/1170109400.db2.gz FVVCRUMECTZVEO-UHFFFAOYSA-N -1 1 319.369 0.270 20 0 DCADMM Clc1cnn([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001606198533 1170109934 /nfs/dbraw/zinc/10/99/34/1170109934.db2.gz PDTAXPPEBOWSGK-SECBINFHSA-N -1 1 317.744 0.958 20 0 DCADMM Clc1cnn([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001606198533 1170109936 /nfs/dbraw/zinc/10/99/36/1170109936.db2.gz PDTAXPPEBOWSGK-SECBINFHSA-N -1 1 317.744 0.958 20 0 DCADMM CN1CCC[C@@H]1C(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001606229172 1170127452 /nfs/dbraw/zinc/12/74/52/1170127452.db2.gz ZLRZJSQJEUFADR-LLVKDONJSA-N -1 1 307.354 0.187 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)C[C@H]2CC=CCC2)CC1 ZINC001606240916 1170132760 /nfs/dbraw/zinc/13/27/60/1170132760.db2.gz IMSFPTDYDOIWBQ-HNNXBMFYSA-N -1 1 323.437 0.893 20 0 DCADMM CN1CCN(CCCS(=O)(=O)C(C)(C)C)C[C@H](C(=O)[O-])C1 ZINC001606240875 1170132850 /nfs/dbraw/zinc/13/28/50/1170132850.db2.gz HFZQHBHZOYIOKK-GFCCVEGCSA-N -1 1 320.455 0.538 20 0 DCADMM Cn1nc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1C1CC1 ZINC001606267187 1170142212 /nfs/dbraw/zinc/14/22/12/1170142212.db2.gz YXHRBZKMESRTQU-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1nc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1C1CC1 ZINC001606267187 1170142213 /nfs/dbraw/zinc/14/22/13/1170142213.db2.gz YXHRBZKMESRTQU-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1nc2c(c1C(=O)Nc1ncc(-c3nnn[n-]3)s1)CCC2 ZINC001606271637 1170144125 /nfs/dbraw/zinc/14/41/25/1170144125.db2.gz XUHLZPOEUFMEJB-UHFFFAOYSA-N -1 1 316.350 0.798 20 0 DCADMM Cn1nc2c(c1C(=O)Nc1ncc(-c3nn[n-]n3)s1)CCC2 ZINC001606271637 1170144128 /nfs/dbraw/zinc/14/41/28/1170144128.db2.gz XUHLZPOEUFMEJB-UHFFFAOYSA-N -1 1 316.350 0.798 20 0 DCADMM Cn1ncc(CCC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001606276815 1170145497 /nfs/dbraw/zinc/14/54/97/1170145497.db2.gz YKWDGRIMKJFVOI-UHFFFAOYSA-N -1 1 318.366 0.306 20 0 DCADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1ccc(-c2nnn[n-]2)nn1 ZINC001606300586 1170154301 /nfs/dbraw/zinc/15/43/01/1170154301.db2.gz WQLRZAFMBNVFIV-KCJUWKMLSA-N -1 1 309.280 0.883 20 0 DCADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1ccc(-c2nn[n-]n2)nn1 ZINC001606300586 1170154303 /nfs/dbraw/zinc/15/43/03/1170154303.db2.gz WQLRZAFMBNVFIV-KCJUWKMLSA-N -1 1 309.280 0.883 20 0 DCADMM COC(=O)C1(NC(=O)CCc2c[nH]nn2)CCC(C(=O)[O-])CC1 ZINC001606353427 1170168081 /nfs/dbraw/zinc/16/80/81/1170168081.db2.gz WNFYMWOOYKLHQQ-UHFFFAOYSA-N -1 1 324.337 0.040 20 0 DCADMM COC(=O)C1(NC(=O)CCc2cnn[nH]2)CCC(C(=O)[O-])CC1 ZINC001606353427 1170168083 /nfs/dbraw/zinc/16/80/83/1170168083.db2.gz WNFYMWOOYKLHQQ-UHFFFAOYSA-N -1 1 324.337 0.040 20 0 DCADMM COC(=O)[C@H]1CCN(CCOC(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC001606408249 1170188356 /nfs/dbraw/zinc/18/83/56/1170188356.db2.gz AXAJBXMJYFPHCF-UWVGGRQHSA-N -1 1 302.327 0.023 20 0 DCADMM NC(=O)N1CCC[C@H]1COC(=O)c1sccc1-c1nn[n-]n1 ZINC001606421584 1170193986 /nfs/dbraw/zinc/19/39/86/1170193986.db2.gz PHSAUAGGZCQNEZ-ZETCQYMHSA-N -1 1 322.350 0.628 20 0 DCADMM O=C([C@@H]1CCCO1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001606472649 1170216191 /nfs/dbraw/zinc/21/61/91/1170216191.db2.gz YQAFBKCZRIVSJV-LBPRGKRZSA-N -1 1 300.322 0.720 20 0 DCADMM O=C([C@@H]1CCCO1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001606472649 1170216192 /nfs/dbraw/zinc/21/61/92/1170216192.db2.gz YQAFBKCZRIVSJV-LBPRGKRZSA-N -1 1 300.322 0.720 20 0 DCADMM O=C([C@@H]1CCCOC1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001606472175 1170216317 /nfs/dbraw/zinc/21/63/17/1170216317.db2.gz DSNMLNOXNRGPOD-SNVBAGLBSA-N -1 1 314.349 0.968 20 0 DCADMM O=C([C@@H]1CCCOC1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001606472175 1170216321 /nfs/dbraw/zinc/21/63/21/1170216321.db2.gz DSNMLNOXNRGPOD-SNVBAGLBSA-N -1 1 314.349 0.968 20 0 DCADMM O=C(C[C@@H]1COC(=O)C1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606506836 1170222860 /nfs/dbraw/zinc/22/28/60/1170222860.db2.gz FOIBEDRMOIBPOQ-LURJTMIESA-N -1 1 317.309 0.359 20 0 DCADMM COC(=O)c1cc(CN2CC[C@@](O)(C(=O)[O-])C2)n2c1CCCC2 ZINC001606542364 1170232591 /nfs/dbraw/zinc/23/25/91/1170232591.db2.gz YMVHFDKOIPYDII-INIZCTEOSA-N -1 1 322.361 0.632 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC[C@@H]1CCOC1 ZINC001606594805 1170238780 /nfs/dbraw/zinc/23/87/80/1170238780.db2.gz MWMFYWHGQBYVIR-SNVBAGLBSA-N -1 1 302.338 0.347 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC[C@@H]1CCOC1 ZINC001606594805 1170238781 /nfs/dbraw/zinc/23/87/81/1170238781.db2.gz MWMFYWHGQBYVIR-SNVBAGLBSA-N -1 1 302.338 0.347 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1ccc(CO)cc1 ZINC001606596219 1170240504 /nfs/dbraw/zinc/24/05/04/1170240504.db2.gz CFSPVKKWRSKZJO-UHFFFAOYSA-N -1 1 324.344 0.613 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1ccc(CO)cc1 ZINC001606596219 1170240514 /nfs/dbraw/zinc/24/05/14/1170240514.db2.gz CFSPVKKWRSKZJO-UHFFFAOYSA-N -1 1 324.344 0.613 20 0 DCADMM O=C(Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2)C1(Cl)CC1 ZINC001606614971 1170243948 /nfs/dbraw/zinc/24/39/48/1170243948.db2.gz BSBYPFGZSMKHAI-UHFFFAOYSA-N -1 1 319.752 0.858 20 0 DCADMM COC(=O)c1cn([C@@H]2CCN(Cc3occc3C(=O)[O-])C2)nn1 ZINC001606623052 1170247238 /nfs/dbraw/zinc/24/72/38/1170247238.db2.gz NQQVRDLAMJZREP-SECBINFHSA-N -1 1 320.305 0.803 20 0 DCADMM O=C(N[C@H](CO)[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001606635527 1170249640 /nfs/dbraw/zinc/24/96/40/1170249640.db2.gz SDZTVBANHWOTKV-HTQZYQBOSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@H](CO)[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001606635527 1170249642 /nfs/dbraw/zinc/24/96/42/1170249642.db2.gz SDZTVBANHWOTKV-HTQZYQBOSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)C1CC1 ZINC001606701019 1170267477 /nfs/dbraw/zinc/26/74/77/1170267477.db2.gz AOBVCVNLIFODFC-JTQLQIEISA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)C1CC1 ZINC001606701019 1170267483 /nfs/dbraw/zinc/26/74/83/1170267483.db2.gz AOBVCVNLIFODFC-JTQLQIEISA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCC[C@@H](O)C1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606752799 1170279138 /nfs/dbraw/zinc/27/91/38/1170279138.db2.gz MXXOLOWHXDNFCD-LLVKDONJSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NCC[C@@H](O)C1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606752799 1170279145 /nfs/dbraw/zinc/27/91/45/1170279145.db2.gz MXXOLOWHXDNFCD-LLVKDONJSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NCCCNc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CC1(F)F ZINC001606769269 1170282904 /nfs/dbraw/zinc/28/29/04/1170282904.db2.gz NPYIEZPPTXRFSS-ZETCQYMHSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCCNc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CC1(F)F ZINC001606769269 1170282910 /nfs/dbraw/zinc/28/29/10/1170282910.db2.gz NPYIEZPPTXRFSS-ZETCQYMHSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCOC[C@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001606787494 1170289525 /nfs/dbraw/zinc/28/95/25/1170289525.db2.gz ZWDUYUNGHPMSDM-SNVBAGLBSA-N -1 1 307.310 0.385 20 0 DCADMM O=C(NCCOC[C@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001606787494 1170289528 /nfs/dbraw/zinc/28/95/28/1170289528.db2.gz ZWDUYUNGHPMSDM-SNVBAGLBSA-N -1 1 307.310 0.385 20 0 DCADMM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1cc(O)cc(F)c1 ZINC001606786281 1170289539 /nfs/dbraw/zinc/28/95/39/1170289539.db2.gz PQJHKHFIPMMRSW-LBPRGKRZSA-N -1 1 321.326 0.689 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCC[C@H](F)C1 ZINC001606803300 1170295552 /nfs/dbraw/zinc/29/55/52/1170295552.db2.gz UBFDYSYGLNWUEI-DTWKUNHWSA-N -1 1 323.336 0.038 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1cncnc1 ZINC001606817315 1170300504 /nfs/dbraw/zinc/30/05/04/1170300504.db2.gz AMRSFKYACNFXDZ-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1cncnc1 ZINC001606817315 1170300510 /nfs/dbraw/zinc/30/05/10/1170300510.db2.gz AMRSFKYACNFXDZ-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1cnc[nH]1 ZINC001606817331 1170300821 /nfs/dbraw/zinc/30/08/21/1170300821.db2.gz BDFDLWGSAYBYTO-UHFFFAOYSA-N -1 1 305.248 0.798 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1cnc[nH]1 ZINC001606817331 1170300829 /nfs/dbraw/zinc/30/08/29/1170300829.db2.gz BDFDLWGSAYBYTO-UHFFFAOYSA-N -1 1 305.248 0.798 20 0 DCADMM COC[C@]1(C(=O)[O-])CCCN1C(=O)CCCCc1c[nH]nn1 ZINC001606829758 1170305291 /nfs/dbraw/zinc/30/52/91/1170305291.db2.gz XBVUMDSSAFUSSG-AWEZNQCLSA-N -1 1 310.354 0.610 20 0 DCADMM O=C(NCc1ccc(=O)[nH]n1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606832010 1170305468 /nfs/dbraw/zinc/30/54/68/1170305468.db2.gz NJLURIOVUMNKLZ-UHFFFAOYSA-N -1 1 313.281 0.079 20 0 DCADMM O=C(NCc1ccc(=O)[nH]n1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606832010 1170305474 /nfs/dbraw/zinc/30/54/74/1170305474.db2.gz NJLURIOVUMNKLZ-UHFFFAOYSA-N -1 1 313.281 0.079 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1Cc2cccnc2C1 ZINC001606842531 1170309821 /nfs/dbraw/zinc/30/98/21/1170309821.db2.gz VEEITWMBMXYDEV-LBPRGKRZSA-N -1 1 321.344 0.688 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1Cc2cccnc2C1 ZINC001606842531 1170309830 /nfs/dbraw/zinc/30/98/30/1170309830.db2.gz VEEITWMBMXYDEV-LBPRGKRZSA-N -1 1 321.344 0.688 20 0 DCADMM COCCN1CCC[C@H](NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)C1 ZINC001606895495 1170325293 /nfs/dbraw/zinc/32/52/93/1170325293.db2.gz NULZVKBOBUHUHQ-CYDGBPFRSA-N -1 1 314.382 0.092 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1Cc2cncn2C1 ZINC001606934754 1170334224 /nfs/dbraw/zinc/33/42/24/1170334224.db2.gz KUQYXUMPBULBMG-MRVPVSSYSA-N -1 1 311.309 0.205 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnn2ncccc12 ZINC001606934747 1170334312 /nfs/dbraw/zinc/33/43/12/1170334312.db2.gz KNNNMRPRTVDSAH-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnn2ncccc12 ZINC001606934747 1170334318 /nfs/dbraw/zinc/33/43/18/1170334318.db2.gz KNNNMRPRTVDSAH-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1ccccc1-n1cnnn1)c1coc(-c2nnn[n-]2)c1 ZINC001606938753 1170334801 /nfs/dbraw/zinc/33/48/01/1170334801.db2.gz BGMWLOLMHJTKLR-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1ccccc1-n1cnnn1)c1coc(-c2nn[n-]n2)c1 ZINC001606938753 1170334807 /nfs/dbraw/zinc/33/48/07/1170334807.db2.gz BGMWLOLMHJTKLR-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cn2c(n1)CCC2 ZINC001606953610 1170338088 /nfs/dbraw/zinc/33/80/88/1170338088.db2.gz WPYPPRBDDWLSJV-UHFFFAOYSA-N -1 1 302.323 0.718 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cn2c(n1)CCC2 ZINC001606953610 1170338093 /nfs/dbraw/zinc/33/80/93/1170338093.db2.gz WPYPPRBDDWLSJV-UHFFFAOYSA-N -1 1 302.323 0.718 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccsc1-c1nnn[n-]1 ZINC001606964914 1170340781 /nfs/dbraw/zinc/34/07/81/1170340781.db2.gz DBZOHPQTGQQOOP-KHQFGBGNSA-N -1 1 322.346 0.889 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccsc1-c1nn[n-]n1 ZINC001606964914 1170340785 /nfs/dbraw/zinc/34/07/85/1170340785.db2.gz DBZOHPQTGQQOOP-KHQFGBGNSA-N -1 1 322.346 0.889 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@H]2O1)c1ccsc1-c1nnn[n-]1 ZINC001606964919 1170341624 /nfs/dbraw/zinc/34/16/24/1170341624.db2.gz DBZOHPQTGQQOOP-OYNCUSHFSA-N -1 1 322.346 0.889 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@H]2O1)c1ccsc1-c1nn[n-]n1 ZINC001606964919 1170341629 /nfs/dbraw/zinc/34/16/29/1170341629.db2.gz DBZOHPQTGQQOOP-OYNCUSHFSA-N -1 1 322.346 0.889 20 0 DCADMM O=C(OCCC[NH+]1CCOCC1)c1cnccc1-c1nn[nH]n1 ZINC001606969119 1170343046 /nfs/dbraw/zinc/34/30/46/1170343046.db2.gz XOYVDNRPZCBAPW-UHFFFAOYSA-N -1 1 318.337 0.141 20 0 DCADMM O=C(OCc1cc2n(n1)CCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001606974641 1170344343 /nfs/dbraw/zinc/34/43/43/1170344343.db2.gz PFHXWMSYFGYTKC-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM O=C(OCc1cc2n(n1)CCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001606974641 1170344351 /nfs/dbraw/zinc/34/43/51/1170344351.db2.gz PFHXWMSYFGYTKC-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM O=C(Oc1ccc2c(c1)C(=O)NC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001606990548 1170347823 /nfs/dbraw/zinc/34/78/23/1170347823.db2.gz IOBIQCUNQCMLBB-UHFFFAOYSA-N -1 1 322.284 0.724 20 0 DCADMM O=C(Oc1ccc2c(c1)C(=O)NC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001606990548 1170347830 /nfs/dbraw/zinc/34/78/30/1170347830.db2.gz IOBIQCUNQCMLBB-UHFFFAOYSA-N -1 1 322.284 0.724 20 0 DCADMM 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CC[C@H](CC(F)F)C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1 ZINC001714718937 1181502973 /nfs/dbraw/zinc/50/29/73/1181502973.db2.gz MCPFBCLZFSJMCU-MRVPVSSYSA-N -1 1 305.329 0.740 20 0 DCADMM Cc1nc(C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)sc1C ZINC001714794575 1181550903 /nfs/dbraw/zinc/55/09/03/1181550903.db2.gz UYBWVDKUDHOVAU-UHFFFAOYSA-N -1 1 310.383 0.445 20 0 DCADMM CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)CC1=CCCCC1 ZINC001717913152 1183054081 /nfs/dbraw/zinc/05/40/81/1183054081.db2.gz KDVLQTJYWMCLKK-GFCCVEGCSA-N -1 1 323.397 0.310 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)C(=O)C(C)(C)C ZINC001718154123 1183151059 /nfs/dbraw/zinc/15/10/59/1183151059.db2.gz SCRTZBGIWYWCMM-JTQLQIEISA-N -1 1 321.377 0.979 20 0 DCADMM C[C@@H](CCCNC(=O)c1ncccc1[O-])NC(=O)c1ncc[nH]1 ZINC001718397884 1183213119 /nfs/dbraw/zinc/21/31/19/1183213119.db2.gz LTIMLDSVFJICBM-JTQLQIEISA-N -1 1 317.349 0.839 20 0 DCADMM CCOCCC(=O)N[C@H](CC)CNC(=O)c1ncccc1[O-] ZINC001721462617 1183951916 /nfs/dbraw/zinc/95/19/16/1183951916.db2.gz 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1187212210 /nfs/dbraw/zinc/21/22/10/1187212210.db2.gz FJXYKBUDXHGZJU-GFCCVEGCSA-N -1 1 321.377 0.887 20 0 DCADMM CCCOCC(=O)NCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001740494735 1187929303 /nfs/dbraw/zinc/92/93/03/1187929303.db2.gz VOEWFYDJZOZWIR-UHFFFAOYSA-N -1 1 322.365 0.332 20 0 DCADMM O=C(CCC1CCOCC1)NCCNC(=O)c1ncccc1[O-] ZINC001742355099 1187963541 /nfs/dbraw/zinc/96/35/41/1187963541.db2.gz CZPAOKZZKPOAAM-UHFFFAOYSA-N -1 1 321.377 0.840 20 0 DCADMM CN(CCCNC(=O)c1ncccc1[O-])C(=O)CC1(O)CCC1 ZINC001743434861 1188131016 /nfs/dbraw/zinc/13/10/16/1188131016.db2.gz KZKJAWCMFRBPII-UHFFFAOYSA-N -1 1 321.377 0.671 20 0 DCADMM Cc1conc1CNCCN(CCO)C(=O)c1ncccc1[O-] ZINC001754880707 1188960281 /nfs/dbraw/zinc/96/02/81/1188960281.db2.gz LBGJBNSHPSTISH-UHFFFAOYSA-N -1 1 320.349 0.308 20 0 DCADMM CC/C(C)=C\C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001756659498 1189426242 /nfs/dbraw/zinc/42/62/42/1189426242.db2.gz NPEIEXZSRYKNGH-NXIHDVOMSA-N -1 1 321.377 0.693 20 0 DCADMM O=C(NCCCNC(=O)c1ncccc1[O-])c1cnns1 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DCADMM CCn1c(-c2nnn[n-]2)nnc1N1CC[C@H]2CSC[C@H]2C1 ZINC001772184714 1190624639 /nfs/dbraw/zinc/62/46/39/1190624639.db2.gz XDLNGQLEUQSNDS-DTWKUNHWSA-N -1 1 306.399 0.667 20 0 DCADMM CCn1c(-c2nn[n-]n2)nnc1N1CC[C@H]2CSC[C@H]2C1 ZINC001772184714 1190624642 /nfs/dbraw/zinc/62/46/42/1190624642.db2.gz XDLNGQLEUQSNDS-DTWKUNHWSA-N -1 1 306.399 0.667 20 0 DCADMM CN(c1nnc(Cc2nnn[n-]2)n1C[C@@H]1CCOC1)C1CCC1 ZINC001772368541 1190669477 /nfs/dbraw/zinc/66/94/77/1190669477.db2.gz SBXYOZOISDYBLA-JTQLQIEISA-N -1 1 318.385 0.407 20 0 DCADMM CN(c1nnc(Cc2nn[n-]n2)n1C[C@@H]1CCOC1)C1CCC1 ZINC001772368541 1190669479 /nfs/dbraw/zinc/66/94/79/1190669479.db2.gz SBXYOZOISDYBLA-JTQLQIEISA-N -1 1 318.385 0.407 20 0 DCADMM O=C(c1nc(C2CC2)cs1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001772417605 1190677375 /nfs/dbraw/zinc/67/73/75/1190677375.db2.gz XXQJPSHJLXJJLV-SECBINFHSA-N -1 1 306.351 0.747 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)C2CN(CC3CCOCC3)C2)c1[O-] ZINC001042619922 751786451 /nfs/dbraw/zinc/78/64/51/751786451.db2.gz RDJZTNRIWQOLTC-UHFFFAOYSA-N -1 1 308.382 0.607 20 0 DCADMM CCN1CC[C@H](N2CC(N(C)C(=O)c3ncccc3[O-])C2)C1=O ZINC001042646141 751805585 /nfs/dbraw/zinc/80/55/85/751805585.db2.gz LFHKPNQCNLRIRS-LBPRGKRZSA-N -1 1 318.377 0.164 20 0 DCADMM CCC[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1 ZINC001042713273 751858227 /nfs/dbraw/zinc/85/82/27/751858227.db2.gz QYSSNIVKMOHDEO-NSHDSACASA-N -1 1 321.377 0.527 20 0 DCADMM C[C@H](C(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001042713114 751858489 /nfs/dbraw/zinc/85/84/89/751858489.db2.gz OOMSITAZOKQTII-JTQLQIEISA-N -1 1 319.361 0.136 20 0 DCADMM C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1CCNCc1n[nH]c(=O)[n-]1 ZINC001104221403 746890593 /nfs/dbraw/zinc/89/05/93/746890593.db2.gz JADIMATVVRXVRK-GHMZBOCLSA-N -1 1 307.398 0.885 20 0 DCADMM CO[C@H](C)c1noc(CNCCNC(=O)c2ncccc2[O-])n1 ZINC001126119498 748227807 /nfs/dbraw/zinc/22/78/07/748227807.db2.gz UVRJSEQEWMUSRN-SECBINFHSA-N -1 1 321.337 0.397 20 0 DCADMM C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000692851280 748299220 /nfs/dbraw/zinc/29/92/20/748299220.db2.gz HCHLYANEYMVYND-DDNLTXGXSA-N -1 1 314.791 0.919 20 0 DCADMM CN(C(=O)[C@]1(C)C=CCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001043550265 752285207 /nfs/dbraw/zinc/28/52/07/752285207.db2.gz IJVVDEDWVDIGRC-OAHLLOKOSA-N -1 1 305.382 0.107 20 0 DCADMM CO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059260483 748894243 /nfs/dbraw/zinc/89/42/43/748894243.db2.gz YFTXNYQIQNTDSH-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001087829512 749072832 /nfs/dbraw/zinc/07/28/32/749072832.db2.gz HMYBNQHFYPZTJZ-NWDGAFQWSA-N -1 1 322.413 0.075 20 0 DCADMM O=C([C@H]1CCOC1)N1CCCCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088276150 749333469 /nfs/dbraw/zinc/33/34/69/749333469.db2.gz AIFAEWORHFTLBL-NWDGAFQWSA-N -1 1 323.397 0.408 20 0 DCADMM CCCC[C@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001112820310 761943810 /nfs/dbraw/zinc/94/38/10/761943810.db2.gz ZXNSHZFXIDQYLV-LBPRGKRZSA-N -1 1 309.414 0.579 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@]2(C)CN(CC3CC3)CCO2)c1[O-] ZINC001107872475 752458977 /nfs/dbraw/zinc/45/89/77/752458977.db2.gz QJRPDYKFZWKCFK-OAHLLOKOSA-N -1 1 308.382 0.654 20 0 DCADMM CN(C(=O)[C@@H]1C[C@H]1C1CCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001044030453 752525418 /nfs/dbraw/zinc/52/54/18/752525418.db2.gz DLQXZCFCTIIZTD-QWHCGFSZSA-N -1 1 319.409 0.187 20 0 DCADMM CC(C)[C@H]1C[C@@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001044118842 752578536 /nfs/dbraw/zinc/57/85/36/752578536.db2.gz UURFOZYKMAQWEP-NEPJUHHUSA-N -1 1 307.398 0.043 20 0 DCADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001044124673 752581313 /nfs/dbraw/zinc/58/13/13/752581313.db2.gz NDSXPONGTRUIQA-MLGOLLRUSA-N -1 1 321.425 0.433 20 0 DCADMM O=C(c1cncc(F)c1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044990973 752980006 /nfs/dbraw/zinc/98/00/06/752980006.db2.gz UTUBLTGNIWRKJT-NSHDSACASA-N -1 1 320.328 0.439 20 0 DCADMM C[C@@](O)(CC(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001045001274 752986674 /nfs/dbraw/zinc/98/66/74/752986674.db2.gz RDFCXAINDXLFFS-XHDPSFHLSA-N -1 1 323.397 0.142 20 0 DCADMM O=C(C=Cc1ccc[nH]1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045011306 752994016 /nfs/dbraw/zinc/99/40/16/752994016.db2.gz VFPFZJKJIQTCRZ-FYJFLYSWSA-N -1 1 316.365 0.632 20 0 DCADMM O=C(CCc1ccon1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045120627 753052254 /nfs/dbraw/zinc/05/22/54/753052254.db2.gz NFFYBLCPFZHBGB-NSHDSACASA-N -1 1 320.353 0.212 20 0 DCADMM CCn1cnc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)c1 ZINC001045274042 753125037 /nfs/dbraw/zinc/12/50/37/753125037.db2.gz FKTQUNRKTOARJR-JTQLQIEISA-N -1 1 319.369 0.121 20 0 DCADMM C[C@@H](C(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001078369414 753207563 /nfs/dbraw/zinc/20/75/63/753207563.db2.gz LBHSDDKAYUBXHY-PWSUYJOCSA-N -1 1 323.397 0.264 20 0 DCADMM CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078381154 753212651 /nfs/dbraw/zinc/21/26/51/753212651.db2.gz KJFRCHNWKQFDJD-WDEREUQCSA-N -1 1 323.397 0.264 20 0 DCADMM CN1CC[C@H](N2CC[C@@](C)(NC(=O)c3ncccc3[O-])C2)C1=O ZINC001046258955 753594162 /nfs/dbraw/zinc/59/41/62/753594162.db2.gz CDSBXGMYCFTDSM-MEDUHNTESA-N -1 1 318.377 0.212 20 0 DCADMM CN1CCCC[C@H]1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046559366 753792518 /nfs/dbraw/zinc/79/25/18/753792518.db2.gz YYCIZYZSIWCGIE-NHYWBVRUSA-N -1 1 322.413 0.075 20 0 DCADMM Cn1[n-]c(CN2CC[C@@](C)(NC(=O)[C@@H]3CC34CCC4)C2)nc1=O ZINC001046655760 753853645 /nfs/dbraw/zinc/85/36/45/753853645.db2.gz AKKIXTPDBXJSMC-XHDPSFHLSA-N -1 1 319.409 0.379 20 0 DCADMM C/C=C(\C)C(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1[O-] ZINC001061481950 753956842 /nfs/dbraw/zinc/95/68/42/753956842.db2.gz NTYXILAEWPOYOM-NDZKXSSTSA-N -1 1 319.361 0.711 20 0 DCADMM O=C(N[C@H]1CCN(Cc2ccon2)C[C@H]1O)c1ncccc1[O-] ZINC001090213169 754377225 /nfs/dbraw/zinc/37/72/25/754377225.db2.gz HQMNYFDNXJZRFK-WCQYABFASA-N -1 1 318.333 0.140 20 0 DCADMM O=C(NC1(CNC(=O)c2ncccc2[O-])CCC1)c1cocn1 ZINC001062839518 755000149 /nfs/dbraw/zinc/00/01/49/755000149.db2.gz UCEVAAZMJHHBHZ-UHFFFAOYSA-N -1 1 316.317 0.858 20 0 DCADMM O=C(NCC1(NC(=O)c2ncccc2[O-])CCC1)c1cnon1 ZINC001064166537 755333165 /nfs/dbraw/zinc/33/31/65/755333165.db2.gz RNOTUQDGIWYKPP-UHFFFAOYSA-N -1 1 317.305 0.253 20 0 DCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cnon1)c1ncccc1[O-] ZINC001096991065 755569261 /nfs/dbraw/zinc/56/92/61/755569261.db2.gz HDIJYYYQXKVOGS-UTUOFQBUSA-N -1 1 315.333 0.706 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1 ZINC001065074585 755671357 /nfs/dbraw/zinc/67/13/57/755671357.db2.gz WTZIVWTUAZGTBV-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001079165436 755735255 /nfs/dbraw/zinc/73/52/55/755735255.db2.gz SSLRDISGNSTULK-QWHCGFSZSA-N -1 1 319.340 0.754 20 0 DCADMM C[C@@H]1CN(Cc2nncs2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079611001 755924490 /nfs/dbraw/zinc/92/44/90/755924490.db2.gz JKPKCMYFYIBMHC-NXEZZACHSA-N -1 1 319.390 0.889 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001080473434 756224291 /nfs/dbraw/zinc/22/42/91/756224291.db2.gz NKQKCJIDJXGLLQ-DDHJBXDOSA-N -1 1 307.398 0.091 20 0 DCADMM C[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054333892 756441455 /nfs/dbraw/zinc/44/14/55/756441455.db2.gz UVZLCIQDNXEAOC-ONGXEEELSA-N -1 1 302.338 0.156 20 0 DCADMM Cc1occc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001054369858 756456309 /nfs/dbraw/zinc/45/63/09/756456309.db2.gz MLERTUHCPITMBG-KWQFWETISA-N -1 1 305.338 0.662 20 0 DCADMM CCCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001081174253 756471615 /nfs/dbraw/zinc/47/16/15/756471615.db2.gz CDPHSLYHUVIYPC-ZYHUDNBSSA-N -1 1 307.350 0.136 20 0 DCADMM C[C@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054560069 756540938 /nfs/dbraw/zinc/54/09/38/756540938.db2.gz RLUDWCCLUYQLSI-GXSJLCMTSA-N -1 1 304.354 0.099 20 0 DCADMM Cc1cnccc1C(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054632606 756586095 /nfs/dbraw/zinc/58/60/95/756586095.db2.gz HDDVCVLHVLTYFU-CMPLNLGQSA-N -1 1 316.365 0.464 20 0 DCADMM CC(C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1)=C1CCC1 ZINC001054635637 756588651 /nfs/dbraw/zinc/58/86/51/756588651.db2.gz IBCZHXJGAXNALU-CABZTGNLSA-N -1 1 305.382 0.947 20 0 DCADMM Cc1noc(C(=O)N2C[C@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1C ZINC001054773357 756634852 /nfs/dbraw/zinc/63/48/52/756634852.db2.gz WAZNQUWGLUDKGZ-OIBJUYFYSA-N -1 1 320.353 0.365 20 0 DCADMM C[C@H]1CN(C(=O)Cc2cncs2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054783020 756640241 /nfs/dbraw/zinc/64/02/41/756640241.db2.gz KOPQNKWBOYEGOT-WPRPVWTQSA-N -1 1 322.394 0.146 20 0 DCADMM CO[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082022881 756893952 /nfs/dbraw/zinc/89/39/52/756893952.db2.gz QZNJFPMGCCDKKM-RYUDHWBXSA-N -1 1 321.377 0.933 20 0 DCADMM CCC[C@H](C)C(=O)N(CCO)CCNC(=O)c1ncccc1[O-] ZINC001057220775 757248281 /nfs/dbraw/zinc/24/82/81/757248281.db2.gz DIRHCQWFULFDJK-LBPRGKRZSA-N -1 1 323.393 0.774 20 0 DCADMM COC(=O)c1cc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)ccn1 ZINC001170216734 762569040 /nfs/dbraw/zinc/56/90/40/762569040.db2.gz NPMVKECHNPGKHS-UHFFFAOYSA-N -1 1 302.250 0.641 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)CC(C)(C)C)[C@@H]3C2)nc1=O ZINC001084191609 757717691 /nfs/dbraw/zinc/71/76/91/757717691.db2.gz UHAWYBVRIKBCHT-VXGBXAGGSA-N -1 1 321.425 0.577 20 0 DCADMM NC(=O)c1c(F)cc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cc1F ZINC001170219190 762570353 /nfs/dbraw/zinc/57/03/53/762570353.db2.gz KZEKTRKQEJBXPO-UHFFFAOYSA-N -1 1 322.231 0.836 20 0 DCADMM CC(C)CCC(=O)NCCN(CCO)C(=O)c1ncccc1[O-] ZINC001057410379 757734559 /nfs/dbraw/zinc/73/45/59/757734559.db2.gz OUNBNHOEGASCFR-UHFFFAOYSA-N -1 1 323.393 0.774 20 0 DCADMM O=c1[n-]c2nc(=O)[nH]c(Nc3cc4c(cn3)C(=O)NCC4)c2[nH]1 ZINC001170223357 762579897 /nfs/dbraw/zinc/57/98/97/762579897.db2.gz MPRKJJGVQIJYAM-UHFFFAOYSA-N -1 1 313.277 0.140 20 0 DCADMM Cc1nc(C(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(=O)[n-]2)co1 ZINC001085180684 758263696 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O=C(NCCCC[P@@](=O)([O-])O)c1cnn(-c2cccnc2)c1 ZINC001197584908 773773320 /nfs/dbraw/zinc/77/33/20/773773320.db2.gz OZPYXUVTBJXXAK-UHFFFAOYSA-N -1 1 324.277 0.955 20 0 DCADMM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]C1(CO)COC1 ZINC001197696533 773785568 /nfs/dbraw/zinc/78/55/68/773785568.db2.gz BNVQUDSEEFSKBV-UHFFFAOYSA-N -1 1 309.746 0.660 20 0 DCADMM Cn1cnc2ncnc-2c1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197782696 773800143 /nfs/dbraw/zinc/80/01/43/773800143.db2.gz NMUPEDLLXSJHTF-UHFFFAOYSA-N -1 1 304.335 0.652 20 0 DCADMM CN(C)c1ccc(C(=O)NCCCC[P@](=O)([O-])O)nc1 ZINC001198138819 773860643 /nfs/dbraw/zinc/86/06/43/773860643.db2.gz WVPOLJIPQCRWAR-UHFFFAOYSA-N -1 1 301.283 0.835 20 0 DCADMM Cc1[n-][nH]c2ncnc(=NC(=O)c3cncn3-c3ccccn3)c1-2 ZINC001198178990 773871863 /nfs/dbraw/zinc/87/18/63/773871863.db2.gz OHFSCALDOCAPHN-UHFFFAOYSA-N -1 1 320.316 0.868 20 0 DCADMM COc1ccccc1[C@@H](CNC(C)=O)NCc1nc(=O)n(C)[n-]1 ZINC001198453106 773925009 /nfs/dbraw/zinc/92/50/09/773925009.db2.gz CRVUYPYBNXIIPC-GFCCVEGCSA-N -1 1 319.365 0.084 20 0 DCADMM CC(C)OCCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001214185440 773937876 /nfs/dbraw/zinc/93/78/76/773937876.db2.gz GJUUXOZLRHNCSY-GHMZBOCLSA-N -1 1 311.386 0.262 20 0 DCADMM O=C(NCc1nn[n-]n1)c1cc(OC2CCOCC2)ccn1 ZINC001199541657 774130558 /nfs/dbraw/zinc/13/05/58/774130558.db2.gz OFPQMKZLVQODDE-UHFFFAOYSA-N -1 1 304.310 0.083 20 0 DCADMM CCOC(=O)[C@H](C)NC(=S)NCC[N-]C(=O)C(F)(F)F ZINC001199862313 774216148 /nfs/dbraw/zinc/21/61/48/774216148.db2.gz NWALUSRQHWJLIF-LURJTMIESA-N -1 1 315.317 0.081 20 0 DCADMM CC/C(C)=C/C(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001200461587 774346790 /nfs/dbraw/zinc/34/67/90/774346790.db2.gz IBAYUONVFOPPOS-YTRUQHMWSA-N -1 1 323.397 0.574 20 0 DCADMM N[C@@H](Cc1nnn[n-]1)C(=O)Nc1ccc(C(=O)C2CC2)cc1 ZINC001219405008 774480184 /nfs/dbraw/zinc/48/01/84/774480184.db2.gz MXSCMPWMNALVNW-NSHDSACASA-N -1 1 300.322 0.301 20 0 DCADMM O=C(Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)c1cccc2ncnn21 ZINC001152894097 774511413 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ZINC001601714806 1168825996 /nfs/dbraw/zinc/82/59/96/1168825996.db2.gz ZGXLZJPJLDGHED-JTQLQIEISA-N -1 1 313.379 0.961 20 0 DCADMM O=C([O-])[C@@H]1[C@H](O)CCCN1C[C@H](O)COCc1cccs1 ZINC001601757138 1168853363 /nfs/dbraw/zinc/85/33/63/1168853363.db2.gz VWGQSGQKNOKSCW-UHTWSYAYSA-N -1 1 315.391 0.536 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CCC[C@H](CC(N)=O)C1)C(=O)[O-] ZINC001603774686 1169386583 /nfs/dbraw/zinc/38/65/83/1169386583.db2.gz BCNAJPXUIRJXEO-NEPJUHHUSA-N -1 1 313.398 0.189 20 0 DCADMM CC(C)N(CCCNC(=O)c1cn[nH]c1)Cc1n[nH]c(=O)[n-]1 ZINC001317674127 945158451 /nfs/dbraw/zinc/15/84/51/945158451.db2.gz BPWQQHUXRSGQJD-UHFFFAOYSA-N -1 1 307.358 0.264 20 0 DCADMM COc1ccc(C=C2SC(=O)[N-]C2=O)cc1OCC(N)=O ZINC001317702486 945168293 /nfs/dbraw/zinc/16/82/93/945168293.db2.gz HBSZIOAQHMMESL-BJMVGYQFSA-N -1 1 308.315 0.883 20 0 DCADMM O=C(C=Cc1ccc[nH]1)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001266407225 939109090 /nfs/dbraw/zinc/10/90/90/939109090.db2.gz SPPZBENOTPIYIT-BTDICHCPSA-N -1 1 316.365 0.536 20 0 DCADMM CN(CCOCCNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001279436475 939163852 /nfs/dbraw/zinc/16/38/52/939163852.db2.gz HRUWAHUDQNTRHB-GDNZZTSVSA-N -1 1 323.397 0.121 20 0 DCADMM CN(CCc1ccccc1)CC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000902062021 939283338 /nfs/dbraw/zinc/28/33/38/939283338.db2.gz GRXGGBQAWGHHBT-MRXNPFEDSA-N -1 1 306.362 0.521 20 0 DCADMM C[C@H]1C[C@@H](C(=O)N(C)CCNC(=O)c2ncccc2[O-])CO1 ZINC001408554914 939324444 /nfs/dbraw/zinc/32/44/44/939324444.db2.gz INMHYUPXNJZMMQ-WDEREUQCSA-N -1 1 307.350 0.400 20 0 DCADMM CN(CCNC(=O)C(C)(C)C(F)(F)F)Cc1nc(=O)n(C)[n-]1 ZINC001480938950 939443498 /nfs/dbraw/zinc/44/34/98/939443498.db2.gz PQKVQUAAFCUANJ-UHFFFAOYSA-N -1 1 323.319 0.245 20 0 DCADMM CC[N@@H+](CCNC(=O)c1ccccc1O)[C@@H]1CCC(=O)NC1=O ZINC001480963199 939503213 /nfs/dbraw/zinc/50/32/13/939503213.db2.gz LXRBQFFESPNKOH-GFCCVEGCSA-N -1 1 319.361 0.249 20 0 DCADMM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)c1cc(C)[nH]n1 ZINC001408731984 939614420 /nfs/dbraw/zinc/61/44/20/939614420.db2.gz QPGNGNXJFSVOFH-UHFFFAOYSA-N -1 1 320.353 0.347 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)Cc1ccccc1Cl ZINC001481311472 939739661 /nfs/dbraw/zinc/73/96/61/939739661.db2.gz VTFUMZOAEYEUQF-UHFFFAOYSA-N -1 1 323.784 0.954 20 0 DCADMM C[C@@H](Cc1ccccc1)C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1 ZINC001481318722 939745161 /nfs/dbraw/zinc/74/51/61/939745161.db2.gz HHIRRUFUIJSOBJ-LBPRGKRZSA-N -1 1 317.393 0.937 20 0 DCADMM COc1ncc(-c2cn3ncnc3cn2)cc1[N-]S(C)(=O)=O ZINC001244792996 945268721 /nfs/dbraw/zinc/26/87/21/945268721.db2.gz AHYDNVIGALHLHK-UHFFFAOYSA-N -1 1 320.334 0.566 20 0 DCADMM C[C@H](C(=O)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001481425440 939784078 /nfs/dbraw/zinc/78/40/78/939784078.db2.gz UIKNDUFBEIXGGT-WDEREUQCSA-N -1 1 307.398 0.885 20 0 DCADMM Cn1cc(S(=O)(=O)[N-]Cc2cccc(F)c2)c(=O)[nH]c1=O ZINC001414194449 939877468 /nfs/dbraw/zinc/87/74/68/939877468.db2.gz CLQNUEWWMPWWBP-UHFFFAOYSA-N -1 1 313.310 0.104 20 0 DCADMM CN1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)CCC1=O ZINC000692874420 939894824 /nfs/dbraw/zinc/89/48/24/939894824.db2.gz WAIQBNXLCQDEJX-SSDOTTSWSA-N -1 1 321.761 0.773 20 0 DCADMM CC(C)NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001481668073 940024081 /nfs/dbraw/zinc/02/40/81/940024081.db2.gz CMMSBVILXYVRMB-RYUDHWBXSA-N -1 1 318.377 0.211 20 0 DCADMM CC(C)=C(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1 ZINC001318210117 945293303 /nfs/dbraw/zinc/29/33/03/945293303.db2.gz VCUXTJHLHBTRLR-STQMWFEESA-N -1 1 319.409 0.640 20 0 DCADMM CCOC1CC(C(=O)NC[C@@H](CC)NCc2n[nH]c(=O)[n-]2)C1 ZINC001481808012 940143398 /nfs/dbraw/zinc/14/33/98/940143398.db2.gz QKPWPKVVTLXGKG-HSOILSAZSA-N -1 1 311.386 0.310 20 0 DCADMM CCc1nncn1CC[N-]S(=O)(=O)c1csnc1OC ZINC001414242967 940210311 /nfs/dbraw/zinc/21/03/11/940210311.db2.gz UYUZGLMZJDENNS-UHFFFAOYSA-N -1 1 317.396 0.284 20 0 DCADMM Cc1oncc1CNC/C=C\CNC(=O)c1cnc[nH]c1=O ZINC001268556668 940232505 /nfs/dbraw/zinc/23/25/05/940232505.db2.gz YKEUUYDDJGQPEF-IHWYPQMZSA-N -1 1 303.322 0.554 20 0 DCADMM Cc1nc(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])c[nH]1 ZINC001486849103 945334244 /nfs/dbraw/zinc/33/42/44/945334244.db2.gz MYOOHFABBDOIMH-SECBINFHSA-N -1 1 317.349 0.709 20 0 DCADMM CN(C)C(=O)c1cn2c(n1)CN(C(=O)c1ncccc1[O-])CC2 ZINC001269346800 940687593 /nfs/dbraw/zinc/68/75/93/940687593.db2.gz JXVOTOCEOYPPNJ-UHFFFAOYSA-N -1 1 315.333 0.342 20 0 DCADMM O=C(Nc1cn[nH]c1)[C@@H]1CC12CN(C(=O)c1ncccc1[O-])C2 ZINC001269346319 940687695 /nfs/dbraw/zinc/68/76/95/940687695.db2.gz NYFNFEYOTUYEHK-JTQLQIEISA-N -1 1 313.317 0.611 20 0 DCADMM O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CCN2C(=O)c1ncccc1[O-] ZINC001269346748 940687939 /nfs/dbraw/zinc/68/79/39/940687939.db2.gz WOJOZYFLTXLLPD-BJOHPYRUSA-N -1 1 313.317 0.754 20 0 DCADMM CC(C)=C(C)CC(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001269468616 940715002 /nfs/dbraw/zinc/71/50/02/940715002.db2.gz LAKBVUDKOBAFGI-UHFFFAOYSA-N -1 1 307.398 0.593 20 0 DCADMM NC(=O)c1[nH]nc2c1CN(C(=O)Cc1ccc([O-])c(Cl)c1)C2 ZINC001269509517 940722839 /nfs/dbraw/zinc/72/28/39/940722839.db2.gz LKUOFXBROWRAKM-UHFFFAOYSA-N -1 1 320.736 0.953 20 0 DCADMM CSC[C@@H](C)C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001409136284 941546231 /nfs/dbraw/zinc/54/62/31/941546231.db2.gz JFXKHEWHOAEGFC-SNVBAGLBSA-N -1 1 323.418 0.975 20 0 DCADMM CC(=O)CCCC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001409136788 941547182 /nfs/dbraw/zinc/54/71/82/941547182.db2.gz YYRKNGKCGJFUQK-UHFFFAOYSA-N -1 1 319.361 0.735 20 0 DCADMM C[C@@]1(C(=O)NCC2CN(C(=O)c3ncccc3[O-])C2)CCOC1 ZINC001409173773 941565587 /nfs/dbraw/zinc/56/55/87/941565587.db2.gz XZNSKUQBBXAIHN-MRXNPFEDSA-N -1 1 319.361 0.402 20 0 DCADMM CN(CCN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C)Cc1nc(=O)n(C)[n-]1 ZINC001482612217 941592477 /nfs/dbraw/zinc/59/24/77/941592477.db2.gz VZCTWPNMIJMJOR-VXGBXAGGSA-N -1 1 323.441 0.681 20 0 DCADMM CC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603987398 1169464508 /nfs/dbraw/zinc/46/45/08/1169464508.db2.gz QSJIWUUAOPECGC-SNVBAGLBSA-N -1 1 317.396 0.368 20 0 DCADMM CC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603987398 1169464514 /nfs/dbraw/zinc/46/45/14/1169464514.db2.gz QSJIWUUAOPECGC-SNVBAGLBSA-N -1 1 317.396 0.368 20 0 DCADMM CC(C)CC(C)(C)C(=O)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1 ZINC001482785356 941670401 /nfs/dbraw/zinc/67/04/01/941670401.db2.gz SIYUEPALYHWHSI-JTQLQIEISA-N -1 1 313.402 0.149 20 0 DCADMM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)CN1CCCC1 ZINC001409257318 941800021 /nfs/dbraw/zinc/80/00/21/941800021.db2.gz GWQNCXKFIBUUEJ-NSHDSACASA-N -1 1 323.397 0.144 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)c1ccccc1F ZINC001409333447 941926618 /nfs/dbraw/zinc/92/66/18/941926618.db2.gz SPXHYXGVIPNWAO-RKDXNWHRSA-N -1 1 307.329 0.946 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)Cc1ncnn1C ZINC001409543046 942044357 /nfs/dbraw/zinc/04/43/57/942044357.db2.gz QIVGTPLKZTXMPN-JTQLQIEISA-N -1 1 304.354 0.166 20 0 DCADMM CCCC[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(N)=O ZINC001258487255 942077584 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CC[C@H](C)CCC(=O)N[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001483399292 942330934 /nfs/dbraw/zinc/33/09/34/942330934.db2.gz KGHJYURUOBFZNP-NWDGAFQWSA-N -1 1 311.430 0.871 20 0 DCADMM Cc1cc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)co1 ZINC001483558940 942419614 /nfs/dbraw/zinc/41/96/14/942419614.db2.gz YHIDXHUZAZHCFE-NSHDSACASA-N -1 1 305.338 0.710 20 0 DCADMM COC1(CO)CCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001413228173 942573592 /nfs/dbraw/zinc/57/35/92/942573592.db2.gz VUADAHXGVMUNFT-UHFFFAOYSA-N -1 1 313.379 0.518 20 0 DCADMM CSC[C@@H](CCO)NC(=O)c1cnc(SC)[n-]c1=O ZINC001433800742 942573688 /nfs/dbraw/zinc/57/36/88/942573688.db2.gz ABDIGBCQKYPKAH-SSDOTTSWSA-N -1 1 303.409 0.748 20 0 DCADMM COc1cc(S(=O)(=O)[N-][C@@H](CO)C[C@@H]2CCCO2)sn1 ZINC001364935988 942581911 /nfs/dbraw/zinc/58/19/11/942581911.db2.gz WFQMDEFYADBWAW-BDAKNGLRSA-N -1 1 322.408 0.360 20 0 DCADMM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001413264571 942588968 /nfs/dbraw/zinc/58/89/68/942588968.db2.gz 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YRKVMVSDAFTXJH-VIFPVBQESA-N -1 1 314.349 0.809 20 0 DCADMM Cn1cc(S(=O)(=O)[N-][C@H](c2nccn2C)C(F)(F)F)cn1 ZINC001413494972 943022271 /nfs/dbraw/zinc/02/22/71/943022271.db2.gz SDXXKOWGECQXMO-MRVPVSSYSA-N -1 1 323.300 0.736 20 0 DCADMM COC(=O)c1cccc(C(=O)N(Cc2nn[n-]n2)CC(C)C)n1 ZINC001413501684 943027082 /nfs/dbraw/zinc/02/70/82/943027082.db2.gz GBTHCXQGHCBJNB-UHFFFAOYSA-N -1 1 318.337 0.680 20 0 DCADMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001413505920 943030121 /nfs/dbraw/zinc/03/01/21/943030121.db2.gz SMKLELNTNBHIOW-MNOVXSKESA-N -1 1 308.386 0.476 20 0 DCADMM COc1nscc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC001413507711 943031084 /nfs/dbraw/zinc/03/10/84/943031084.db2.gz QWOWQYWPOSDGJA-UHFFFAOYSA-N -1 1 308.319 0.621 20 0 DCADMM C[S@](=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CCC2)cc1 ZINC001413510185 943032733 /nfs/dbraw/zinc/03/27/33/943032733.db2.gz PMURHYKERVZKPR-NRFANRHFSA-N -1 1 305.363 0.746 20 0 DCADMM COc1ccc(C[C@](C)(CO)NC(=O)c2cnncc2[O-])cc1 ZINC001413521177 943043422 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C[C@H](NCc1nncs1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001485139705 943724425 /nfs/dbraw/zinc/72/44/25/943724425.db2.gz WGABBXVFHSTQJE-IUCAKERBSA-N -1 1 307.379 0.935 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)Cc1ccccc1 ZINC001485162999 943733616 /nfs/dbraw/zinc/73/36/16/943733616.db2.gz LQCKBHYTBQHECW-MNOVXSKESA-N -1 1 303.366 0.736 20 0 DCADMM COCCCC(=O)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001491242045 943857869 /nfs/dbraw/zinc/85/78/69/943857869.db2.gz OMNWXFBGTWSYNF-NSHDSACASA-N -1 1 311.386 0.408 20 0 DCADMM CC(=CC(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)C1CC1 ZINC001276554631 944209794 /nfs/dbraw/zinc/20/97/94/944209794.db2.gz ZULHAXITPLDUHV-OJIASSBASA-N -1 1 305.382 0.851 20 0 DCADMM C[C@@H](CN(C)C(=O)CCC(C)(F)F)NCc1n[nH]c(=O)[n-]1 ZINC001485891036 944386259 /nfs/dbraw/zinc/38/62/59/944386259.db2.gz PSPLSFSDLOCBKH-QMMMGPOBSA-N -1 1 305.329 0.882 20 0 DCADMM C[C@@H](CN(C)C(=O)CCCn1cccn1)NCc1n[nH]c(=O)[n-]1 ZINC001485958006 944448603 /nfs/dbraw/zinc/44/86/03/944448603.db2.gz 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ZINC001250697394 945670625 /nfs/dbraw/zinc/67/06/25/945670625.db2.gz GWBYSIHLZIBVIG-UHFFFAOYSA-N -1 1 321.318 0.387 20 0 DCADMM Cc1[nH]c(=O)[nH]c(=O)c1-c1nc2cc(S(N)(=O)=O)ccc2[n-]1 ZINC001250697394 945670631 /nfs/dbraw/zinc/67/06/31/945670631.db2.gz GWBYSIHLZIBVIG-UHFFFAOYSA-N -1 1 321.318 0.387 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@]1(C)CCO[C@H]1C ZINC001434561795 945750902 /nfs/dbraw/zinc/75/09/02/945750902.db2.gz FECHWXBFWWCMTA-WRWORJQWSA-N -1 1 303.340 0.042 20 0 DCADMM CCC1(C(=O)NC[C@H](O)CNC(=O)c2ncccc2[O-])CC1 ZINC001410112803 945902288 /nfs/dbraw/zinc/90/22/88/945902288.db2.gz YBICTMHGLBGSHY-SNVBAGLBSA-N -1 1 307.350 0.184 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)C=Cc1ccco1 ZINC001273243343 946143355 /nfs/dbraw/zinc/14/33/55/946143355.db2.gz RJRXEBMSBOGSDM-WAYWQWQTSA-N -1 1 305.338 0.755 20 0 DCADMM COc1ccc(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])o1 ZINC001410356507 946241637 /nfs/dbraw/zinc/24/16/37/946241637.db2.gz QRPVFVKMOYSYCB-VIFPVBQESA-N -1 1 319.317 0.937 20 0 DCADMM CC(=O)NC1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCCCC1 ZINC001573488642 946271339 /nfs/dbraw/zinc/27/13/39/946271339.db2.gz GYWCDVPBWUMUCH-UHFFFAOYSA-N -1 1 318.341 0.367 20 0 DCADMM CC(=O)NC1(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCCCC1 ZINC001573488642 946271352 /nfs/dbraw/zinc/27/13/52/946271352.db2.gz GYWCDVPBWUMUCH-UHFFFAOYSA-N -1 1 318.341 0.367 20 0 DCADMM CC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573494366 946303517 /nfs/dbraw/zinc/30/35/17/946303517.db2.gz LOAYIBBVHZYDQV-QWRGUYRKSA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573494366 946303528 /nfs/dbraw/zinc/30/35/28/946303528.db2.gz LOAYIBBVHZYDQV-QWRGUYRKSA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573495007 946306611 /nfs/dbraw/zinc/30/66/11/946306611.db2.gz NXEQJLFREZVNFL-WCBMZHEXSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573495007 946306620 /nfs/dbraw/zinc/30/66/20/946306620.db2.gz 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/nfs/dbraw/zinc/28/22/20/948282220.db2.gz PYTWUDMLXLAHRG-LLVKDONJSA-N -1 1 316.369 0.860 20 0 DCADMM CC1(C)CC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001487976510 948398121 /nfs/dbraw/zinc/39/81/21/948398121.db2.gz HOGRZGSRXHWJJN-QWRGUYRKSA-N -1 1 321.377 0.430 20 0 DCADMM C[C@@H](OCc1ccncc1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548761763 1013088247 /nfs/dbraw/zinc/08/82/47/1013088247.db2.gz HGEXHISPARKWDR-ZYHUDNBSSA-N -1 1 302.338 0.516 20 0 DCADMM O=C([O-])[C@H](C(=O)N1CCC(CN2CCOCC2)CC1)C1CC1 ZINC001327593114 948563473 /nfs/dbraw/zinc/56/34/73/948563473.db2.gz QDDFNPRFODWKCF-AWEZNQCLSA-N -1 1 310.394 0.668 20 0 DCADMM CC(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001570918930 948580586 /nfs/dbraw/zinc/58/05/86/948580586.db2.gz MDUPXVIKXLVSER-CQSZACIVSA-N -1 1 314.353 0.105 20 0 DCADMM CC(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001570918930 948580593 /nfs/dbraw/zinc/58/05/93/948580593.db2.gz MDUPXVIKXLVSER-CQSZACIVSA-N -1 1 314.353 0.105 20 0 DCADMM COC(=O)c1ccc(C(=O)Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001570920139 948596690 /nfs/dbraw/zinc/59/66/90/948596690.db2.gz HHQJQFNFSYQFJW-UHFFFAOYSA-N -1 1 313.277 0.128 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001570920846 948608408 /nfs/dbraw/zinc/60/84/08/948608408.db2.gz DUBZYALBYITWQG-VHSXEESVSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001570920846 948608414 /nfs/dbraw/zinc/60/84/14/948608414.db2.gz DUBZYALBYITWQG-VHSXEESVSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001570921214 948616483 /nfs/dbraw/zinc/61/64/83/948616483.db2.gz RHJKACIXLAFWAE-NXEZZACHSA-N -1 1 316.369 0.328 20 0 DCADMM CC(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001570921242 948616975 /nfs/dbraw/zinc/61/69/75/948616975.db2.gz RXJDLMILXVIPRG-NSHDSACASA-N -1 1 316.369 0.778 20 0 DCADMM CC(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001570921242 948616979 /nfs/dbraw/zinc/61/69/79/948616979.db2.gz RXJDLMILXVIPRG-NSHDSACASA-N -1 1 316.369 0.778 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)COc2ccccc2F)n1 ZINC001570921399 948620146 /nfs/dbraw/zinc/62/01/46/948620146.db2.gz YMPCATSXCKXNKN-UHFFFAOYSA-N -1 1 317.284 0.757 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)COc2ccccc2F)n1 ZINC001570921399 948620150 /nfs/dbraw/zinc/62/01/50/948620150.db2.gz YMPCATSXCKXNKN-UHFFFAOYSA-N -1 1 317.284 0.757 20 0 DCADMM O=C(Cc1ncccc1F)NCc1nc(-c2nnn[n-]2)cs1 ZINC001570921946 948632169 /nfs/dbraw/zinc/63/21/69/948632169.db2.gz REFLRRGWOIWQRI-UHFFFAOYSA-N -1 1 319.325 0.716 20 0 DCADMM O=C(Cc1ncccc1F)NCc1nc(-c2nn[n-]n2)cs1 ZINC001570921946 948632173 /nfs/dbraw/zinc/63/21/73/948632173.db2.gz REFLRRGWOIWQRI-UHFFFAOYSA-N -1 1 319.325 0.716 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnc([C@@H](C)O)s2)c1-c1nn[n-]n1 ZINC001570922416 948641758 /nfs/dbraw/zinc/64/17/58/948641758.db2.gz IQXZRQRBCIKNIR-RXMQYKEDSA-N -1 1 320.338 0.660 20 0 DCADMM O=S(=O)(NCCn1cccc1)c1ccsc1-c1nn[n-]n1 ZINC001570922650 948646066 /nfs/dbraw/zinc/64/60/66/948646066.db2.gz LCNDPNXSROEDAH-UHFFFAOYSA-N -1 1 324.391 0.708 20 0 DCADMM O=C1NCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001327882433 948653126 /nfs/dbraw/zinc/65/31/26/948653126.db2.gz FROZHEGNLWRXIA-LURJTMIESA-N -1 1 310.162 0.555 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC001327916929 948663477 /nfs/dbraw/zinc/66/34/77/948663477.db2.gz OBSKJSCFLASHCT-UHFFFAOYSA-N -1 1 309.326 0.473 20 0 DCADMM CC(C)[C@H](F)C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574079570 948771642 /nfs/dbraw/zinc/77/16/42/948771642.db2.gz KGWRIWYTLQXAFZ-KCJUWKMLSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@H](F)C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574079570 948771654 /nfs/dbraw/zinc/77/16/54/948771654.db2.gz KGWRIWYTLQXAFZ-KCJUWKMLSA-N -1 1 322.348 0.567 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N(CCO)C1CCC1 ZINC001570929957 948794434 /nfs/dbraw/zinc/79/44/34/948794434.db2.gz DBEFKGKRIQKRFM-UHFFFAOYSA-N -1 1 322.394 0.985 20 0 DCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1CC1 ZINC001574680839 948808167 /nfs/dbraw/zinc/80/81/67/948808167.db2.gz IOMYHUSQYPNOMH-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1CC1 ZINC001574680839 948808180 /nfs/dbraw/zinc/80/81/80/948808180.db2.gz IOMYHUSQYPNOMH-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM COc1nnc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)s1 ZINC001570932935 948865842 /nfs/dbraw/zinc/86/58/42/948865842.db2.gz YWAQTSPHBAHLRP-UHFFFAOYSA-N -1 1 322.310 0.204 20 0 DCADMM COc1nnc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)s1 ZINC001570932935 948865858 /nfs/dbraw/zinc/86/58/58/948865858.db2.gz YWAQTSPHBAHLRP-UHFFFAOYSA-N -1 1 322.310 0.204 20 0 DCADMM CC[C@@H](NCCS(=O)(=O)CC(=O)[O-])c1c(C)nn(C)c1C ZINC001589569051 948894834 /nfs/dbraw/zinc/89/48/34/948894834.db2.gz CDHHWDSANQEEPK-LLVKDONJSA-N -1 1 317.411 0.577 20 0 DCADMM CC/C(C)=C\C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001264139691 948910727 /nfs/dbraw/zinc/91/07/27/948910727.db2.gz 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/nfs/dbraw/zinc/14/32/07/1014143207.db2.gz VFYKDTNLXQLKBN-VHSXEESVSA-N -1 1 309.370 0.921 20 0 DCADMM N[C@@H](CC(=O)[O-])c1noc([C@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC001605649182 974020632 /nfs/dbraw/zinc/02/06/32/974020632.db2.gz UGZYHIYGLXFGFN-UWVGGRQHSA-N -1 1 308.338 0.660 20 0 DCADMM CCOCCOCC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001605638998 1169979265 /nfs/dbraw/zinc/97/92/65/1169979265.db2.gz XHMLFQIDHZYYMK-LBPRGKRZSA-N -1 1 302.371 0.047 20 0 DCADMM CCn1ncc(C(=O)NCCNC(=O)c2ncccc2[O-])c1C ZINC001522601273 1014234618 /nfs/dbraw/zinc/23/46/18/1014234618.db2.gz SKDWAJKXYREXKM-UHFFFAOYSA-N -1 1 317.349 0.472 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001522617181 1014247766 /nfs/dbraw/zinc/24/77/66/1014247766.db2.gz OKGUVAHVDIPGAG-QWHCGFSZSA-N -1 1 305.378 0.869 20 0 DCADMM CC(C)NS(=O)(=O)N1CCN(CC2(CC(=O)[O-])CC2)CC1 ZINC001591666406 975414812 /nfs/dbraw/zinc/41/48/12/975414812.db2.gz CHFFCJFKVHFWGD-UHFFFAOYSA-N -1 1 319.427 0.102 20 0 DCADMM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@@H](O)CC1(O)CCCC1 ZINC001591711907 975599340 /nfs/dbraw/zinc/59/93/40/975599340.db2.gz JBVIKEHZLNBBAV-QWHCGFSZSA-N -1 1 303.399 0.853 20 0 DCADMM O=C(NC[C@@H]1C[C@@H](c2nnc[nH]2)C[C@H]1O)c1ccc([O-])cc1F ZINC001549517573 1014283128 /nfs/dbraw/zinc/28/31/28/1014283128.db2.gz DXMARAZDNLULLG-VYUIOLGVSA-N -1 1 320.324 0.934 20 0 DCADMM CC(C)c1nc(CN(C)CCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])n[nH]1 ZINC001592019413 976704398 /nfs/dbraw/zinc/70/43/98/976704398.db2.gz DMBIVSWTGIIGOD-WDEREUQCSA-N -1 1 323.397 0.539 20 0 DCADMM CC(C)c1nc(CNC(=O)Nc2cc(C(=O)[O-])nn2C)n[nH]1 ZINC001592060648 976806261 /nfs/dbraw/zinc/80/62/61/976806261.db2.gz SXRPHOLFCOFCBC-UHFFFAOYSA-N -1 1 307.314 0.682 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000701026385 976994335 /nfs/dbraw/zinc/99/43/35/976994335.db2.gz OYLMCHJQPDDNFB-CLIVKXMMSA-N -1 1 304.324 0.463 20 0 DCADMM CC(C)(C)[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cncnc1 ZINC001449301802 1014391854 /nfs/dbraw/zinc/39/18/54/1014391854.db2.gz VXFGHOQHAQQKHQ-JTQLQIEISA-N -1 1 319.369 0.235 20 0 DCADMM C[C@@](CC(=O)[O-])(NCC(=O)Nc1ccncc1)c1ccncc1 ZINC001592323592 977737473 /nfs/dbraw/zinc/73/74/73/977737473.db2.gz WJDRCSCZJBKHOR-INIZCTEOSA-N -1 1 314.345 0.817 20 0 DCADMM C[C@H](CN(C)C(=O)c1ccc(C(=O)[O-])cc1F)c1nn[nH]n1 ZINC001592579974 978491290 /nfs/dbraw/zinc/49/12/90/978491290.db2.gz UJYGZNLCJFIGCS-SSDOTTSWSA-N -1 1 307.285 0.913 20 0 DCADMM C[C@H](CN1CCCCC1)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001592615529 978575219 /nfs/dbraw/zinc/57/52/19/978575219.db2.gz JTZXANLPSOTKKK-SECBINFHSA-N -1 1 316.383 0.261 20 0 DCADMM CC[C@H](COC(=O)c1ccc(NS(C)(=O)=O)nc1)C(=O)[O-] ZINC001595184478 979830202 /nfs/dbraw/zinc/83/02/02/979830202.db2.gz YWMCWWVDPZNEBP-MRVPVSSYSA-N -1 1 316.335 0.721 20 0 DCADMM COc1ccc([C@@H]2CNCCN2C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC001550245553 1014637830 /nfs/dbraw/zinc/63/78/30/1014637830.db2.gz WNFYNBIPLCUWTD-IHRRRGAJSA-N -1 1 304.346 0.889 20 0 DCADMM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@H]1CN(C)CCN1C ZINC001593004022 980220888 /nfs/dbraw/zinc/22/08/88/980220888.db2.gz XSEZBHXCGQRUED-REWJHTLYSA-N -1 1 311.426 0.628 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC001594892202 982293612 /nfs/dbraw/zinc/29/36/12/982293612.db2.gz OTZUGYUPXWCOBT-OBJOEFQTSA-N -1 1 323.397 0.216 20 0 DCADMM CC[C@@H](C)[C@H](NC(=O)CN1CC[C@@H](CO)C[C@H]1C)C(=O)[O-] ZINC001594893390 982303629 /nfs/dbraw/zinc/30/36/29/982303629.db2.gz HYGMNHOLPVMFCE-BYNQJWBRSA-N -1 1 300.399 0.695 20 0 DCADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCc2nccc(N)c2C1)C(=O)[O-] ZINC001594893571 982308156 /nfs/dbraw/zinc/30/81/56/982308156.db2.gz JEWCIPODHSIHIS-MEBBXXQBSA-N -1 1 320.393 0.637 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC001594894650 982324850 /nfs/dbraw/zinc/32/48/50/982324850.db2.gz WRNQHKVVGNGMPA-HOSYDEDBSA-N -1 1 300.355 0.399 20 0 DCADMM Cc1nn[nH]c1C(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001450049906 1014870456 /nfs/dbraw/zinc/87/04/56/1014870456.db2.gz UXECUDRAXRPEKZ-QMMMGPOBSA-N -1 1 318.337 0.104 20 0 DCADMM O=C(c1cnncc1[O-])N1CCC[C@H](N2CCCC2=O)CC1 ZINC001550815646 1014872037 /nfs/dbraw/zinc/87/20/37/1014872037.db2.gz PXMNBOKOAOBXRO-NSHDSACASA-N -1 1 304.350 0.799 20 0 DCADMM CCOC(=O)CN(C)C(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC001573787465 983114402 /nfs/dbraw/zinc/11/44/02/983114402.db2.gz BJLLNFXQMDACTI-GFCCVEGCSA-N -1 1 314.382 0.585 20 0 DCADMM Cc1[nH]c(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)c(C)c1C(=O)[O-] ZINC001574113679 983172005 /nfs/dbraw/zinc/17/20/05/983172005.db2.gz QONSSMUUSRTVCR-MRVPVSSYSA-N -1 1 304.310 0.473 20 0 DCADMM O=C([O-])c1cccc2nc(NC(=O)CN3CCCC3=O)[nH]c21 ZINC001574299573 983209866 /nfs/dbraw/zinc/20/98/66/983209866.db2.gz OTWZCPTUNAAEAD-UHFFFAOYSA-N -1 1 302.290 0.822 20 0 DCADMM O=C(CN[C@@H](C[C@@H]1CCCO1)C(=O)[O-])NC(C1CC1)C1CC1 ZINC001574300830 983210758 /nfs/dbraw/zinc/21/07/58/983210758.db2.gz XTLNALDZKOMLKE-STQMWFEESA-N -1 1 310.394 0.903 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2c[nH]c(C(=O)[O-])c2)C[C@H]1C(=O)OC ZINC001574565037 983257271 /nfs/dbraw/zinc/25/72/71/983257271.db2.gz CLGTUPYOXAIQGK-NXEZZACHSA-N -1 1 310.306 0.107 20 0 DCADMM Cc1onc(N)c1S(=O)(=O)[N-]CC(=O)c1cncs1 ZINC001475742704 1017144966 /nfs/dbraw/zinc/14/49/66/1017144966.db2.gz WOYRNCKJNXUNTC-UHFFFAOYSA-N -1 1 302.337 0.183 20 0 DCADMM CCOC(=O)C(C)(C)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001596509913 984275630 /nfs/dbraw/zinc/27/56/30/984275630.db2.gz BYIPRRLJFTUWME-LLVKDONJSA-N -1 1 314.382 0.583 20 0 DCADMM CCOC(=O)/C=C/CN1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001596582725 984498908 /nfs/dbraw/zinc/49/89/08/984498908.db2.gz HGLLKYAZDHKNJT-ONEGZZNKSA-N -1 1 308.338 0.733 20 0 DCADMM CNC(=O)[C@@]12CN(C(=O)c3cc(F)ccc3[O-])C[C@H]1COCC2 ZINC001551409675 1015043737 /nfs/dbraw/zinc/04/37/37/1015043737.db2.gz AUVPILMJUODFGZ-QFYYESIMSA-N -1 1 322.336 0.756 20 0 DCADMM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@]2(O)CC3CCC2CC3)C1 ZINC001551457504 1015094542 /nfs/dbraw/zinc/09/45/42/1015094542.db2.gz CQQMRPNGYYPBRL-ICEJCHNJSA-N -1 1 324.421 0.840 20 0 DCADMM CCC(CC)C(=O)N(C)C[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001384188887 985421928 /nfs/dbraw/zinc/42/19/28/985421928.db2.gz UDWZDSKVTHGLMT-LBPRGKRZSA-N -1 1 323.393 0.773 20 0 DCADMM CC[C@H](CNC(=O)c1[nH]cnc1C)NC(=O)c1ncccc1[O-] ZINC001531298503 1015134001 /nfs/dbraw/zinc/13/40/01/1015134001.db2.gz GACUPSUYBCDDNE-SNVBAGLBSA-N -1 1 317.349 0.757 20 0 DCADMM C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594498686 985660019 /nfs/dbraw/zinc/66/00/19/985660019.db2.gz JVWUJTQKRWPXON-WCBMZHEXSA-N -1 1 317.367 0.334 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccn(C)n1 ZINC001594518890 985934217 /nfs/dbraw/zinc/93/42/17/985934217.db2.gz FNLCTNVHDMWZFI-GFCCVEGCSA-N -1 1 323.397 0.153 20 0 DCADMM COC[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001385136130 986115690 /nfs/dbraw/zinc/11/56/90/986115690.db2.gz WIBGHVBOZWNYBT-WDEREUQCSA-N -1 1 307.350 0.400 20 0 DCADMM C[C@H]1CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)[C@@H](C)CN1 ZINC001594550331 986254338 /nfs/dbraw/zinc/25/43/38/986254338.db2.gz KZVHDVKTNDPXMX-QWRGUYRKSA-N -1 1 312.391 0.897 20 0 DCADMM CCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001385468562 986367364 /nfs/dbraw/zinc/36/73/64/986367364.db2.gz KVHZONYYXGDXPF-RYUDHWBXSA-N -1 1 321.377 0.933 20 0 DCADMM O=C(NC[C@H](NC(=O)c1ncccc1[O-])C1CC1)c1ccn[nH]1 ZINC001385685961 986518909 /nfs/dbraw/zinc/51/89/09/986518909.db2.gz PUGFLISWKNFWDL-NSHDSACASA-N -1 1 315.333 0.449 20 0 DCADMM C[C@@H]1COCCN1C1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001594606827 986569792 /nfs/dbraw/zinc/56/97/92/986569792.db2.gz GHQRRJSDGHEIAY-KWCYVHTRSA-N -1 1 310.394 0.809 20 0 DCADMM CCO[C@H](CC)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385839336 986622467 /nfs/dbraw/zinc/62/24/67/986622467.db2.gz VTEVNCXUAZMQDA-WCQYABFASA-N -1 1 321.377 0.933 20 0 DCADMM C[C@@H]1Cc2ccccc2N1CCNCc1cn(CC(=O)[O-])nn1 ZINC001594623387 986674269 /nfs/dbraw/zinc/67/42/69/986674269.db2.gz AUCYTPJIGKBDEN-GFCCVEGCSA-N -1 1 315.377 0.904 20 0 DCADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001594623963 986680549 /nfs/dbraw/zinc/68/05/49/986680549.db2.gz MBBCMXLQRYTWET-LJWDBELGSA-N -1 1 321.377 0.760 20 0 DCADMM C[C@@H]1NCCn2c(C(=O)NCc3nc(C(=O)[O-])co3)ccc21 ZINC001594630960 986727464 /nfs/dbraw/zinc/72/74/64/986727464.db2.gz DTDUPKIVTNWNMD-QMMMGPOBSA-N -1 1 304.306 0.769 20 0 DCADMM C[C@@H](OCC1CC1)C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001386201468 986947049 /nfs/dbraw/zinc/94/70/49/986947049.db2.gz OCDADPNTZYWHSD-WDEREUQCSA-N -1 1 321.377 0.837 20 0 DCADMM CCO[C@H](C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-])C1CC1 ZINC001386234669 986982684 /nfs/dbraw/zinc/98/26/84/986982684.db2.gz DTQANAMULZMJSA-YGRLFVJLSA-N -1 1 321.377 0.837 20 0 DCADMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001386339078 987087015 /nfs/dbraw/zinc/08/70/15/987087015.db2.gz SLSYNGUVZSIBNM-WDMOLILDSA-N -1 1 321.377 0.837 20 0 DCADMM C[C@@H](CNC(=O)CCn1cccn1)NC(=O)c1ncccc1[O-] ZINC001386657219 987276730 /nfs/dbraw/zinc/27/67/30/987276730.db2.gz SFBQSUODUIHUOJ-NSHDSACASA-N -1 1 317.349 0.309 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCOC1 ZINC001386742998 987360702 /nfs/dbraw/zinc/36/07/02/987360702.db2.gz NYVWTARIRVOLMQ-MNOVXSKESA-N -1 1 307.350 0.448 20 0 DCADMM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@H]1CNCCO1)c1ccccc1 ZINC001589592090 987399941 /nfs/dbraw/zinc/39/99/41/987399941.db2.gz PVPCGCVZXIPIGY-OLZOCXBDSA-N -1 1 306.362 0.943 20 0 DCADMM Cc1ccc(C(=O)N(C)CCNC(=O)c2ncccc2[O-])n1C ZINC001386853960 987455447 /nfs/dbraw/zinc/45/54/47/987455447.db2.gz XYGHIXSAGSTVJS-UHFFFAOYSA-N -1 1 316.361 0.936 20 0 DCADMM Cc1ncn(C)c1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001386873888 987471396 /nfs/dbraw/zinc/47/13/96/987471396.db2.gz XSYAKUPRVUHXLF-VIFPVBQESA-N -1 1 317.349 0.377 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)COCC1CC1 ZINC001387179245 987684861 /nfs/dbraw/zinc/68/48/61/987684861.db2.gz IMAVEMLCKHYGTQ-UHFFFAOYSA-N -1 1 321.377 0.792 20 0 DCADMM CCCN(CCNC(=O)c1cn[nH]n1)C(=O)c1ncccc1[O-] ZINC001387433342 987830167 /nfs/dbraw/zinc/83/01/67/987830167.db2.gz OXYBTVXCSFEKHE-UHFFFAOYSA-N -1 1 318.337 0.188 20 0 DCADMM CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1)c1nn[n-]n1 ZINC001552292187 1015369917 /nfs/dbraw/zinc/36/99/17/1015369917.db2.gz YNKDIMCABWXOTB-LLVKDONJSA-N -1 1 300.322 0.467 20 0 DCADMM CCOCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001387949561 988316010 /nfs/dbraw/zinc/31/60/10/988316010.db2.gz ODPRBVCHIZJWKK-QWRGUYRKSA-N -1 1 305.334 0.249 20 0 DCADMM CCc1[nH]nc(Cl)c1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001597644171 988648754 /nfs/dbraw/zinc/64/87/54/988648754.db2.gz GBNZGQDBRVDUQX-QMMMGPOBSA-N -1 1 314.773 0.714 20 0 DCADMM CCC[C@@H](OC)C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001389170537 988942819 /nfs/dbraw/zinc/94/28/19/988942819.db2.gz KUHKRQKAWPLOAC-ZYHUDNBSSA-N -1 1 309.366 0.837 20 0 DCADMM COCCC1(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001389327252 989122838 /nfs/dbraw/zinc/12/28/38/989122838.db2.gz 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/nfs/dbraw/zinc/36/64/41/337366441.db2.gz BFTMPZPRFXCPAR-UHFFFAOYSA-N -1 1 304.335 0.850 20 0 DCADMM CSc1ncc(C(=O)N2CCC[C@]23CCOC3=O)c(=O)[n-]1 ZINC001448047546 1159704403 /nfs/dbraw/zinc/70/44/03/1159704403.db2.gz KRLBAPQJJFSGMZ-CYBMUJFWSA-N -1 1 309.347 0.826 20 0 DCADMM O=C([O-])C[C@@H]1CSCCN1C[C@@H]1CCCS(=O)(=O)C1 ZINC001601968955 1159783419 /nfs/dbraw/zinc/78/34/19/1159783419.db2.gz GFCBHSVCWKCCBI-WDEREUQCSA-N -1 1 307.437 0.703 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCSC2)o1 ZINC000267256036 522281490 /nfs/dbraw/zinc/28/14/90/522281490.db2.gz NBHMBNIXSLWTKR-QMMMGPOBSA-N -1 1 304.393 0.813 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC000157630572 522282481 /nfs/dbraw/zinc/28/24/81/522282481.db2.gz HTKDEFHESNSSIL-HLTSFMKQSA-N -1 1 300.336 0.237 20 0 DCADMM Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266807271 524098534 /nfs/dbraw/zinc/09/85/34/524098534.db2.gz FFDVIEMBRORFBE-SECBINFHSA-N -1 1 317.349 0.426 20 0 DCADMM Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266807271 524098538 /nfs/dbraw/zinc/09/85/38/524098538.db2.gz FFDVIEMBRORFBE-SECBINFHSA-N -1 1 317.349 0.426 20 0 DCADMM Cc1cc(S(=O)(=O)NCCN(C)C)cc(C(=O)[O-])c1F ZINC000127593790 525405570 /nfs/dbraw/zinc/40/55/70/525405570.db2.gz MJXQPEGYQUTFCS-UHFFFAOYSA-N -1 1 304.343 0.672 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)O1 ZINC000131423044 527009633 /nfs/dbraw/zinc/00/96/33/527009633.db2.gz UTHOFDITPCMARQ-WCBMZHEXSA-N -1 1 320.317 0.276 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000191325005 527115872 /nfs/dbraw/zinc/11/58/72/527115872.db2.gz ZDTUDPCSINBJFA-VXGBXAGGSA-N -1 1 318.377 0.459 20 0 DCADMM CC(=O)c1cccc(O[C@@H](C)C(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000299615383 527382469 /nfs/dbraw/zinc/38/24/69/527382469.db2.gz KJPJMELSJQRPGP-VIFPVBQESA-N -1 1 305.290 0.240 20 0 DCADMM O=C([O-])C[C@H]1CN(C(=O)Cc2n[nH]c3ccccc32)CCO1 ZINC000238052597 527636735 /nfs/dbraw/zinc/63/67/35/527636735.db2.gz RKKKWHFNOSIERI-JTQLQIEISA-N -1 1 303.318 0.808 20 0 DCADMM CCCN1C[C@@H](C(=O)Nc2nc(C(=O)OCC)c[n-]2)CC1=O ZINC000415631531 528286208 /nfs/dbraw/zinc/28/62/08/528286208.db2.gz POZYGRYZQSGLQX-VIFPVBQESA-N -1 1 308.338 0.783 20 0 DCADMM CCCn1cc(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cn1 ZINC000283005534 535597769 /nfs/dbraw/zinc/59/77/69/535597769.db2.gz VYOYCCUNBTZJMQ-SNVBAGLBSA-N -1 1 304.354 0.724 20 0 DCADMM CCc1ccc(CCNC(=O)c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000353490490 546174005 /nfs/dbraw/zinc/17/40/05/546174005.db2.gz RCJDMXDZFFVIGQ-UHFFFAOYSA-N -1 1 311.345 0.953 20 0 DCADMM CS(=O)(=O)NC1CC(NC(=O)c2c([O-])cccc2F)C1 ZINC000669920558 547028462 /nfs/dbraw/zinc/02/84/62/547028462.db2.gz RIFAWSNXNLVFOL-UHFFFAOYSA-N -1 1 302.327 0.341 20 0 DCADMM COCCN(CCOC)S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000672429461 547361858 /nfs/dbraw/zinc/36/18/58/547361858.db2.gz JRTPQZROZRHRCJ-JTQLQIEISA-N -1 1 316.370 0.603 20 0 DCADMM Cc1n[nH]c(C)c1CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000672770944 547405736 /nfs/dbraw/zinc/40/57/36/547405736.db2.gz SLIBFZIBYMRSCG-AWEZNQCLSA-N -1 1 311.349 0.988 20 0 DCADMM CS(=O)(=O)c1ccc(/C=C\c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000672775576 547406272 /nfs/dbraw/zinc/40/62/72/547406272.db2.gz QJSXVCSNMJEXQE-DJWKRKHSSA-N -1 1 316.342 0.992 20 0 DCADMM O=C(NCc1nn[n-]n1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000673668084 547512230 /nfs/dbraw/zinc/51/22/30/547512230.db2.gz NIYGFIJTORRNKY-SNVBAGLBSA-N -1 1 321.385 0.180 20 0 DCADMM CCNC(=O)CN(C)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000673832666 547525482 /nfs/dbraw/zinc/52/54/82/547525482.db2.gz MNLUHPAIQINHRX-UHFFFAOYSA-N -1 1 308.382 0.996 20 0 DCADMM C[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000676213382 547744664 /nfs/dbraw/zinc/74/46/64/547744664.db2.gz NVMAPAANKHGLCA-TZMCWYRMSA-N -1 1 306.362 0.819 20 0 DCADMM O=C(Cc1cc(F)ccc1Br)NCc1nn[n-]n1 ZINC000676377598 547772053 /nfs/dbraw/zinc/77/20/53/547772053.db2.gz CNTCDQHNPRDLCV-UHFFFAOYSA-N -1 1 314.118 0.960 20 0 DCADMM COCCn1cc(S(=O)(=O)[N-]c2ccc3nccn3c2)cn1 ZINC000676634670 547798432 /nfs/dbraw/zinc/79/84/32/547798432.db2.gz BFZYEZYTAYLUBT-UHFFFAOYSA-N -1 1 321.362 0.978 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cnc2[nH]cnc2c1 ZINC000677869261 547911885 /nfs/dbraw/zinc/91/18/85/547911885.db2.gz VAYLXTUMLRQRHA-GFCCVEGCSA-N -1 1 320.316 0.990 20 0 DCADMM Cn1nc2c(c1C(=O)N1CCC[C@H](c3nn[n-]n3)C1)CCCC2 ZINC000677928782 547922877 /nfs/dbraw/zinc/92/28/77/547922877.db2.gz MCOMLPRMRUINPE-JTQLQIEISA-N -1 1 315.381 0.832 20 0 DCADMM O=C(NCc1nn[n-]n1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000680196362 548121847 /nfs/dbraw/zinc/12/18/47/548121847.db2.gz LDOLMVODQQYDFN-AWEZNQCLSA-N -1 1 316.365 0.014 20 0 DCADMM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)CC(N)=O)c(F)c1 ZINC000680514856 548151262 /nfs/dbraw/zinc/15/12/62/548151262.db2.gz AZTWZDPBQPOLKG-UHFFFAOYSA-N -1 1 322.333 0.906 20 0 DCADMM COc1ccc(COCC(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1 ZINC000680525393 548152872 /nfs/dbraw/zinc/15/28/72/548152872.db2.gz SOROVZHYSXXELT-NSHDSACASA-N -1 1 319.365 0.987 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H]1CCO ZINC000681763212 548292009 /nfs/dbraw/zinc/29/20/09/548292009.db2.gz YVKMGAHUYIMXKF-LBPRGKRZSA-N -1 1 318.377 0.968 20 0 DCADMM CCOc1nc(C(F)(F)F)ccc1C(=O)NCc1nn[n-]n1 ZINC000683243784 548460932 /nfs/dbraw/zinc/46/09/32/548460932.db2.gz JSZSVQAMVNIIQT-UHFFFAOYSA-N -1 1 316.243 0.942 20 0 DCADMM O=C([O-])C1(CNC(=O)c2[nH]nc3c2CCCC3)CCOCC1 ZINC000683332198 548468172 /nfs/dbraw/zinc/46/81/72/548468172.db2.gz SNXRSEPTEXIEEU-UHFFFAOYSA-N -1 1 307.350 0.900 20 0 DCADMM CCN(CC)Cc1ccc(C(=O)NCCc2nc(=O)o[n-]2)o1 ZINC000684064370 548561711 /nfs/dbraw/zinc/56/17/11/548561711.db2.gz ZCJJATXAAWKEMZ-UHFFFAOYSA-N -1 1 308.338 0.770 20 0 DCADMM COCc1nc(Cn2cccc(-c3nn[n-]n3)c2=O)cs1 ZINC000821696385 599384197 /nfs/dbraw/zinc/38/41/97/599384197.db2.gz AVKSFATVQSKQTR-UHFFFAOYSA-N -1 1 304.335 0.680 20 0 DCADMM O=C(N[C@@H]1CCc2nccn2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738033912 599000862 /nfs/dbraw/zinc/00/08/62/599000862.db2.gz CHWNENRDRBWDSZ-SNVBAGLBSA-N -1 1 310.321 0.203 20 0 DCADMM O=C(N[C@@H]1CCc2nccn2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738033912 599000864 /nfs/dbraw/zinc/00/08/64/599000864.db2.gz CHWNENRDRBWDSZ-SNVBAGLBSA-N -1 1 310.321 0.203 20 0 DCADMM COC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736912194 599001539 /nfs/dbraw/zinc/00/15/39/599001539.db2.gz ZWEBCGAKGKPBLP-JTQLQIEISA-N -1 1 316.321 0.287 20 0 DCADMM COC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736912194 599001541 /nfs/dbraw/zinc/00/15/41/599001541.db2.gz ZWEBCGAKGKPBLP-JTQLQIEISA-N -1 1 316.321 0.287 20 0 DCADMM O=C(N[C@@H]1COc2ccccc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738034514 599022707 /nfs/dbraw/zinc/02/27/07/599022707.db2.gz GQYQETZCEXOTQK-LBPRGKRZSA-N -1 1 322.328 0.995 20 0 DCADMM O=C(N[C@@H]1COc2ccccc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738034514 599022709 /nfs/dbraw/zinc/02/27/09/599022709.db2.gz GQYQETZCEXOTQK-LBPRGKRZSA-N -1 1 322.328 0.995 20 0 DCADMM O=C(NCc1cn2c(n1)CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738124455 599028748 /nfs/dbraw/zinc/02/87/48/599028748.db2.gz OAGRRQWWPBFAHN-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(NCCOC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738082720 599031487 /nfs/dbraw/zinc/03/14/87/599031487.db2.gz MXSLKKSSYHMXSI-JTQLQIEISA-N -1 1 318.337 0.045 20 0 DCADMM O=C(NCCOC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738082720 599031488 /nfs/dbraw/zinc/03/14/88/599031488.db2.gz MXSLKKSSYHMXSI-JTQLQIEISA-N -1 1 318.337 0.045 20 0 DCADMM Fc1cccc(-c2nnc(Cn3cnc(-c4nn[n-]n4)n3)o2)c1 ZINC000737664158 599162970 /nfs/dbraw/zinc/16/29/70/599162970.db2.gz CJUZCPUISMAEAO-UHFFFAOYSA-N -1 1 313.256 0.696 20 0 DCADMM CCOCCN1CCN(C(=O)NCCC(=O)[O-])C[C@@H]1CC ZINC000818232607 597293355 /nfs/dbraw/zinc/29/33/55/597293355.db2.gz MBZYFQOCLIWISM-LBPRGKRZSA-N -1 1 301.387 0.603 20 0 DCADMM CC(=O)NCCN(Cc1cnc2ccnn2c1)[C@@H](C)C(=O)[O-] ZINC000819781021 597680049 /nfs/dbraw/zinc/68/00/49/597680049.db2.gz PJLVBXRVMWGXKA-JTQLQIEISA-N -1 1 305.338 0.141 20 0 DCADMM CC(C)[C@@H](NCc1csc(CS(C)(=O)=O)n1)C(=O)[O-] ZINC000820049482 598189575 /nfs/dbraw/zinc/18/95/75/598189575.db2.gz WJJAIGNGHCUGSA-SNVBAGLBSA-N -1 1 306.409 0.887 20 0 DCADMM CN(CCC(=O)[O-])C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000820586123 598198494 /nfs/dbraw/zinc/19/84/94/598198494.db2.gz KZQJJZSSFWIVDW-CQSZACIVSA-N -1 1 315.391 0.704 20 0 DCADMM CC(C)CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735797274 598262804 /nfs/dbraw/zinc/26/28/04/598262804.db2.gz NMKKGLZLXRXVRK-UHFFFAOYSA-N -1 1 310.383 0.976 20 0 DCADMM CC(C)CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735797274 598262805 /nfs/dbraw/zinc/26/28/05/598262805.db2.gz NMKKGLZLXRXVRK-UHFFFAOYSA-N -1 1 310.383 0.976 20 0 DCADMM Oc1cccc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000738401957 598339329 /nfs/dbraw/zinc/33/93/29/598339329.db2.gz YCVHRTQCFFSRAF-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Oc1cccc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000738401957 598339331 /nfs/dbraw/zinc/33/93/31/598339331.db2.gz YCVHRTQCFFSRAF-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM COc1ccc([C@@H](O)CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737075702 598342664 /nfs/dbraw/zinc/34/26/64/598342664.db2.gz OCLIKHUXXKXGNC-NSHDSACASA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccc([C@@H](O)CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737075702 598342665 /nfs/dbraw/zinc/34/26/65/598342665.db2.gz OCLIKHUXXKXGNC-NSHDSACASA-N -1 1 313.321 0.811 20 0 DCADMM O=C(CNc1nccnc1-c1nnn[n-]1)NCc1ccccc1 ZINC000737901768 598345107 /nfs/dbraw/zinc/34/51/07/598345107.db2.gz YROGYJVBPZZEHI-UHFFFAOYSA-N -1 1 310.321 0.385 20 0 DCADMM O=C(CNc1nccnc1-c1nn[n-]n1)NCc1ccccc1 ZINC000737901768 598345109 /nfs/dbraw/zinc/34/51/09/598345109.db2.gz YROGYJVBPZZEHI-UHFFFAOYSA-N -1 1 310.321 0.385 20 0 DCADMM CC(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000735476623 598348842 /nfs/dbraw/zinc/34/88/42/598348842.db2.gz ZBJNTMVDQISGAT-SNVBAGLBSA-N -1 1 302.342 0.009 20 0 DCADMM CC(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000735476623 598348844 /nfs/dbraw/zinc/34/88/44/598348844.db2.gz ZBJNTMVDQISGAT-SNVBAGLBSA-N -1 1 302.342 0.009 20 0 DCADMM Cc1nnc([C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)o1 ZINC000737519562 598351548 /nfs/dbraw/zinc/35/15/48/598351548.db2.gz AHEFANWTCVWOJI-SECBINFHSA-N -1 1 313.325 0.732 20 0 DCADMM Cc1nnc([C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)o1 ZINC000737519562 598351549 /nfs/dbraw/zinc/35/15/49/598351549.db2.gz AHEFANWTCVWOJI-SECBINFHSA-N -1 1 313.325 0.732 20 0 DCADMM CCc1nnsc1C(=O)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000736709933 598381188 /nfs/dbraw/zinc/38/11/88/598381188.db2.gz CMPBKRBTZWCOTB-UHFFFAOYSA-N -1 1 302.323 0.350 20 0 DCADMM c1cnn(-c2ncccc2CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC000738445068 598388014 /nfs/dbraw/zinc/38/80/14/598388014.db2.gz BUPRCXXANNJAAE-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cnn(-c2ncccc2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC000738445068 598388015 /nfs/dbraw/zinc/38/80/15/598388015.db2.gz BUPRCXXANNJAAE-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM CC(C)(C)c1nc(Cn2cccc(-c3nn[n-]n3)c2=O)no1 ZINC000735657044 598566159 /nfs/dbraw/zinc/56/61/59/598566159.db2.gz NERCZYHECRPWQT-UHFFFAOYSA-N -1 1 301.310 0.757 20 0 DCADMM Cc1nccn1CCCn1nc(C)c(C)c(-c2nnn[n-]2)c1=O ZINC000737517079 598787525 /nfs/dbraw/zinc/78/75/25/598787525.db2.gz JMXGLUTWHXSABM-UHFFFAOYSA-N -1 1 314.353 0.635 20 0 DCADMM C[C@@H]1CCC[C@H](OCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000736263442 598798544 /nfs/dbraw/zinc/79/85/44/598798544.db2.gz QTJXSUTUBCQDAW-BDAKNGLRSA-N -1 1 305.342 0.881 20 0 DCADMM C[S@@](=O)c1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821943519 599318768 /nfs/dbraw/zinc/31/87/68/599318768.db2.gz VQRPYIINXOSDTQ-JOCHJYFZSA-N -1 1 317.334 0.071 20 0 DCADMM Cc1nonc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737548689 599340835 /nfs/dbraw/zinc/34/08/35/599340835.db2.gz UYPSMMYBQWFENY-UHFFFAOYSA-N -1 1 309.289 0.921 20 0 DCADMM CC(C)NC(=O)CN(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820133401 599492524 /nfs/dbraw/zinc/49/25/24/599492524.db2.gz QVDMUSORSSVJLS-UHFFFAOYSA-N 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PYKTZCODMIWCHC-UHFFFAOYSA-N -1 1 303.326 0.043 20 0 DCADMM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820137297 607137349 /nfs/dbraw/zinc/13/73/49/607137349.db2.gz IKUAUEUCKGUGKB-VIFPVBQESA-N -1 1 318.337 0.674 20 0 DCADMM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820137297 607137350 /nfs/dbraw/zinc/13/73/50/607137350.db2.gz IKUAUEUCKGUGKB-VIFPVBQESA-N -1 1 318.337 0.674 20 0 DCADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820675524 607217380 /nfs/dbraw/zinc/21/73/80/607217380.db2.gz JYUBVAIFBMTJAE-OUAUKWLOSA-N -1 1 316.369 0.638 20 0 DCADMM CCC1(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC000820962763 607223400 /nfs/dbraw/zinc/22/34/00/607223400.db2.gz YYWJQFWVFRIWSQ-UHFFFAOYSA-N -1 1 304.358 0.545 20 0 DCADMM CCOC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825523850 607989109 /nfs/dbraw/zinc/98/91/09/607989109.db2.gz WGYIEGSANCLRED-SECBINFHSA-N -1 1 318.341 0.372 20 0 DCADMM CCOC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825523850 607989110 /nfs/dbraw/zinc/98/91/10/607989110.db2.gz WGYIEGSANCLRED-SECBINFHSA-N -1 1 318.341 0.372 20 0 DCADMM c1ccc(NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC000826521922 607990397 /nfs/dbraw/zinc/99/03/97/607990397.db2.gz DESDSBAQGMDMFE-LLVKDONJSA-N -1 1 323.364 0.990 20 0 DCADMM Cc1c(CCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cnn1C ZINC000826236494 608006009 /nfs/dbraw/zinc/00/60/09/608006009.db2.gz ORTAUDLVJSNMCR-UHFFFAOYSA-N -1 1 315.341 0.213 20 0 DCADMM Cc1c(CCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cnn1C ZINC000826236494 608006010 /nfs/dbraw/zinc/00/60/10/608006010.db2.gz ORTAUDLVJSNMCR-UHFFFAOYSA-N -1 1 315.341 0.213 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000826425323 608014564 /nfs/dbraw/zinc/01/45/64/608014564.db2.gz YDTUMDJWABZDQY-MNOVXSKESA-N -1 1 317.353 0.233 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000826425323 608014565 /nfs/dbraw/zinc/01/45/65/608014565.db2.gz YDTUMDJWABZDQY-MNOVXSKESA-N -1 1 317.353 0.233 20 0 DCADMM O=C1OCC[C@@H]2CN(Cc3ccnc(-c4nn[n-]n4)c3)CCN12 ZINC000826483404 608170536 /nfs/dbraw/zinc/17/05/36/608170536.db2.gz MNKFVLJNUFCPJR-LLVKDONJSA-N -1 1 315.337 0.288 20 0 DCADMM COC[C@@H](CCO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000826149931 608185701 /nfs/dbraw/zinc/18/57/01/608185701.db2.gz SDJBGEDMPWWROQ-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM COC[C@@H](CCO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000826149931 608185702 /nfs/dbraw/zinc/18/57/02/608185702.db2.gz SDJBGEDMPWWROQ-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM NC(=O)[C@@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826392776 608391814 /nfs/dbraw/zinc/39/18/14/608391814.db2.gz MQTVEEVJJZOGIO-LBPRGKRZSA-N -1 1 322.332 0.073 20 0 DCADMM NC(=O)[C@@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826392776 608391816 /nfs/dbraw/zinc/39/18/16/608391816.db2.gz MQTVEEVJJZOGIO-LBPRGKRZSA-N -1 1 322.332 0.073 20 0 DCADMM Cc1ncc2c(n1)CC[C@H](Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826330203 608408553 /nfs/dbraw/zinc/40/85/53/608408553.db2.gz JQNITTYTLBDFOO-JTQLQIEISA-N -1 1 309.337 0.725 20 0 DCADMM Cc1ncc2c(n1)CC[C@H](Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826330203 608408554 /nfs/dbraw/zinc/40/85/54/608408554.db2.gz JQNITTYTLBDFOO-JTQLQIEISA-N -1 1 309.337 0.725 20 0 DCADMM CCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825225240 608409830 /nfs/dbraw/zinc/40/98/30/608409830.db2.gz OZBNSGHFMLUCDO-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825225240 608409833 /nfs/dbraw/zinc/40/98/33/608409833.db2.gz OZBNSGHFMLUCDO-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825839996 608419771 /nfs/dbraw/zinc/41/97/71/608419771.db2.gz MPFQUUPDSFABMI-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825839996 608419772 /nfs/dbraw/zinc/41/97/72/608419772.db2.gz MPFQUUPDSFABMI-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM C[C@H](C(=O)OC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824051817 608427170 /nfs/dbraw/zinc/42/71/70/608427170.db2.gz FUWBPRANIVWKRG-MRVPVSSYSA-N -1 1 305.342 0.823 20 0 DCADMM C[C@H](C(=O)OC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824051817 608427172 /nfs/dbraw/zinc/42/71/72/608427172.db2.gz FUWBPRANIVWKRG-MRVPVSSYSA-N -1 1 305.342 0.823 20 0 DCADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825210437 608436722 /nfs/dbraw/zinc/43/67/22/608436722.db2.gz HCQDSMXDCQIWNC-MNOVXSKESA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825210437 608436724 /nfs/dbraw/zinc/43/67/24/608436724.db2.gz HCQDSMXDCQIWNC-MNOVXSKESA-N -1 1 316.369 0.716 20 0 DCADMM COCC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(N)=O ZINC000826155062 608587764 /nfs/dbraw/zinc/58/77/64/608587764.db2.gz FGCFCGNHKNOKKP-SSDOTTSWSA-N -1 1 311.733 0.217 20 0 DCADMM COCC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(N)=O ZINC000826155062 608587765 /nfs/dbraw/zinc/58/77/65/608587765.db2.gz FGCFCGNHKNOKKP-SSDOTTSWSA-N -1 1 311.733 0.217 20 0 DCADMM COC1(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCC1 ZINC000826143979 609157952 /nfs/dbraw/zinc/15/79/52/609157952.db2.gz YUUNDEDFMLZCDH-UHFFFAOYSA-N -1 1 306.330 0.291 20 0 DCADMM COC1(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCC1 ZINC000826143979 609157954 /nfs/dbraw/zinc/15/79/54/609157954.db2.gz YUUNDEDFMLZCDH-UHFFFAOYSA-N -1 1 306.330 0.291 20 0 DCADMM c1cc(NC[C@@H]2COC3(CCOCC3)O2)nc(-c2nnn[n-]2)c1 ZINC000826517299 609173254 /nfs/dbraw/zinc/17/32/54/609173254.db2.gz XXHUJSYVZQVACA-SNVBAGLBSA-N -1 1 318.337 0.596 20 0 DCADMM c1cc(NC[C@@H]2COC3(CCOCC3)O2)nc(-c2nn[n-]n2)c1 ZINC000826517299 609173257 /nfs/dbraw/zinc/17/32/57/609173257.db2.gz XXHUJSYVZQVACA-SNVBAGLBSA-N -1 1 318.337 0.596 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(CF)cc2)c1=O ZINC000826357078 609267930 /nfs/dbraw/zinc/26/79/30/609267930.db2.gz QGVBDLKNDUFWMX-UHFFFAOYSA-N -1 1 316.296 0.245 20 0 DCADMM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccns2)C1 ZINC000885057935 667642177 /nfs/dbraw/zinc/64/21/77/667642177.db2.gz SHVYBDSEEINLTN-QMMMGPOBSA-N -1 1 304.397 0.225 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)CC2CC2)CCO1 ZINC000979143565 660672132 /nfs/dbraw/zinc/67/21/32/660672132.db2.gz MZFDKMDGRJFMAZ-MWLCHTKSSA-N -1 1 309.370 0.016 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)c2ccsc2)nc1=O ZINC001027738318 660678642 /nfs/dbraw/zinc/67/86/42/660678642.db2.gz YIXJMQUSDBRPJD-LLVKDONJSA-N -1 1 321.406 0.564 20 0 DCADMM CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1O ZINC001027761345 660702225 /nfs/dbraw/zinc/70/22/25/660702225.db2.gz MKFNCHGTZCCSFX-LBPRGKRZSA-N -1 1 305.378 0.675 20 0 DCADMM COCC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C1 ZINC000979601281 660786265 /nfs/dbraw/zinc/78/62/65/660786265.db2.gz CMSFSNRFQJZMDP-SRVKXCTJSA-N -1 1 319.361 0.400 20 0 DCADMM O=C(NC[C@H]1CCCN1[C@@H]1CCCNC1=O)c1ncccc1[O-] ZINC001027844763 660829442 /nfs/dbraw/zinc/82/94/42/660829442.db2.gz XIUYNLFGCDSNBQ-VXGBXAGGSA-N -1 1 318.377 0.260 20 0 DCADMM Cc1coc(C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)c1 ZINC000981792705 661218446 /nfs/dbraw/zinc/21/84/46/661218446.db2.gz RAUNLDMUSYSIKG-UHFFFAOYSA-N -1 1 319.365 0.358 20 0 DCADMM O=C1C[C@@H](CC[N-]S(=O)(=O)c2ccc(F)nc2F)CN1 ZINC000921648516 665436286 /nfs/dbraw/zinc/43/62/86/665436286.db2.gz DWRUDZOKHZTAQF-SSDOTTSWSA-N -1 1 305.306 0.164 20 0 DCADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCSCCCO ZINC000866844020 657475208 /nfs/dbraw/zinc/47/52/08/657475208.db2.gz LSDFPOCGJRMUCU-MRXNPFEDSA-N -1 1 304.459 0.054 20 0 DCADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCSCCCO ZINC000866844019 657475105 /nfs/dbraw/zinc/47/51/05/657475105.db2.gz LSDFPOCGJRMUCU-INIZCTEOSA-N -1 1 304.459 0.054 20 0 DCADMM O=S(=O)([N-]CCSCCCO)c1ccc(F)nc1F ZINC000866844671 657476686 /nfs/dbraw/zinc/47/66/86/657476686.db2.gz SJTJZJBHHDKMDW-UHFFFAOYSA-N -1 1 312.363 0.754 20 0 DCADMM COCc1nc(N2CCN(Cc3cc(C)on3)CC2)cc(=O)[n-]1 ZINC000891580795 657498408 /nfs/dbraw/zinc/49/84/08/657498408.db2.gz NIKIYCKERHPNOF-UHFFFAOYSA-N -1 1 319.365 0.947 20 0 DCADMM O=C(c1ccc(Cl)cn1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970533681 657607634 /nfs/dbraw/zinc/60/76/34/657607634.db2.gz JVDLNBUREROPRU-SECBINFHSA-N -1 1 322.756 0.563 20 0 DCADMM COc1ccsc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970542009 657618104 /nfs/dbraw/zinc/61/81/04/657618104.db2.gz ILNBOVTYECHEDS-MRVPVSSYSA-N -1 1 323.378 0.585 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC000971746919 657639540 /nfs/dbraw/zinc/63/95/40/657639540.db2.gz GFDOCYBOVNNXNT-LBPRGKRZSA-N -1 1 319.409 0.331 20 0 DCADMM CC1CC(C(=O)NC[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)C1 ZINC001023304850 657724544 /nfs/dbraw/zinc/72/45/44/657724544.db2.gz UBQSYRTWDFNOPD-OTTFEQOBSA-N -1 1 321.425 0.483 20 0 DCADMM CC[C@H]1CN(C)CCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000234108075 657745054 /nfs/dbraw/zinc/74/50/54/657745054.db2.gz YAWILBJNADBITH-JTQLQIEISA-N -1 1 315.395 0.818 20 0 DCADMM Cc1cc(C(=O)NN2CC(=O)[N-]C2=O)c(C)n1-c1nccs1 ZINC000097405827 657819593 /nfs/dbraw/zinc/81/95/93/657819593.db2.gz GSVYDGYOMIUHTR-UHFFFAOYSA-N -1 1 319.346 0.747 20 0 DCADMM Cc1nonc1CN1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001038195485 657826530 /nfs/dbraw/zinc/82/65/30/657826530.db2.gz UOKVOXPADZQIQJ-JTQLQIEISA-N -1 1 303.322 0.483 20 0 DCADMM CC1(C)CN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]2CCC[C@@H]21 ZINC000891170134 657871038 /nfs/dbraw/zinc/87/10/38/657871038.db2.gz YZLNVFZVRBEPLO-NWDGAFQWSA-N -1 1 305.378 0.964 20 0 DCADMM COCc1nc(N2CCC(N3CCNC3=O)CC2)cc(=O)[n-]1 ZINC000891911431 657906140 /nfs/dbraw/zinc/90/61/40/657906140.db2.gz RVMKVCYMMPHWIY-UHFFFAOYSA-N -1 1 307.354 0.323 20 0 DCADMM CC1(C)C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023488370 657922119 /nfs/dbraw/zinc/92/21/19/657922119.db2.gz FDZQXDJXVDPSGG-HOSYDEDBSA-N -1 1 319.361 0.135 20 0 DCADMM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@H]1CCCC[C@@H]1O ZINC000866860209 658117587 /nfs/dbraw/zinc/11/75/87/658117587.db2.gz WKRYGVZZNDEOHU-MNOVXSKESA-N -1 1 310.441 0.634 20 0 DCADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CCO)CSC ZINC000866860670 658120126 /nfs/dbraw/zinc/12/01/26/658120126.db2.gz ZWOXQRHJSBSXOG-VIFPVBQESA-N -1 1 318.486 0.443 20 0 DCADMM C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1cnn(C)c1 ZINC000866863900 658127298 /nfs/dbraw/zinc/12/72/98/658127298.db2.gz OLAOXUQPRURGNI-SECBINFHSA-N -1 1 306.413 0.577 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2cccs2)C1 ZINC000971008771 658177118 /nfs/dbraw/zinc/17/71/18/658177118.db2.gz IVITUTABXPKMCW-SNVBAGLBSA-N -1 1 321.406 0.516 20 0 DCADMM C[C@H](C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C(C)(F)F ZINC000969988770 658323387 /nfs/dbraw/zinc/32/33/87/658323387.db2.gz DPPCDWSJVUFGKZ-HTQZYQBOSA-N -1 1 303.313 0.492 20 0 DCADMM O=C(c1cc(C2CC2)n[nH]1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970065751 658414765 /nfs/dbraw/zinc/41/47/65/658414765.db2.gz LGIGETJTWXWOEY-SECBINFHSA-N -1 1 317.353 0.115 20 0 DCADMM CCC1(C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)CC1 ZINC000972255775 658488094 /nfs/dbraw/zinc/48/80/94/658488094.db2.gz ZTECOHBOSVZXRX-LLVKDONJSA-N -1 1 307.398 0.331 20 0 DCADMM 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CC(C)=CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573943254 1163595593 /nfs/dbraw/zinc/59/55/93/1163595593.db2.gz RCLXSJVKYCHNDE-SNVBAGLBSA-N -1 1 314.353 0.318 20 0 DCADMM CC(C)C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573958773 1163604513 /nfs/dbraw/zinc/60/45/13/1163604513.db2.gz MZSCOEANNTTXNP-CQSZACIVSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573958773 1163604519 /nfs/dbraw/zinc/60/45/19/1163604519.db2.gz MZSCOEANNTTXNP-CQSZACIVSA-N -1 1 316.369 0.398 20 0 DCADMM CO[C@H]1CN[C@H](C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC001574009760 1163623435 /nfs/dbraw/zinc/62/34/35/1163623435.db2.gz BPUZUQFNETYREP-MNOVXSKESA-N -1 1 304.306 0.345 20 0 DCADMM COc1ccc([C@@H](CCO)NCC(=O)N(C)CC(=O)[O-])cc1 ZINC001574023710 1163625655 /nfs/dbraw/zinc/62/56/55/1163625655.db2.gz LEXWINFIOOFVIG-CYBMUJFWSA-N -1 1 310.350 0.251 20 0 DCADMM Cc1nc(C(=O)[O-])cc(N2CC(c3[nH]nc4c3COCC4)C2)n1 ZINC001574181402 1163653621 /nfs/dbraw/zinc/65/36/21/1163653621.db2.gz WZENXTHFSVQQOK-UHFFFAOYSA-N -1 1 315.333 0.883 20 0 DCADMM Cc1noc(CCC(=O)N2CC[C@@H](c3[nH]ncc3C(=O)[O-])C2)n1 ZINC001574199263 1163660179 /nfs/dbraw/zinc/66/01/79/1163660179.db2.gz XVLNFWHXJQULHT-SECBINFHSA-N -1 1 319.321 0.748 20 0 DCADMM O=C([O-])[C@]1(CNC(=O)CCN2CC[C@H](F)C2)CCCOC1 ZINC001574293304 1163686283 /nfs/dbraw/zinc/68/62/83/1163686283.db2.gz BXKBKBBXEPFAMA-FZMZJTMJSA-N -1 1 302.346 0.418 20 0 DCADMM O=C([O-])[C@H]1CCC[N@@H+](CC(=O)N2CC[C@H](c3cnccn3)C2)C1 ZINC001574351753 1163701871 /nfs/dbraw/zinc/70/18/71/1163701871.db2.gz KEEIIQFNGHEKKB-STQMWFEESA-N -1 1 318.377 0.589 20 0 DCADMM O=C([O-])C[C@H](O)C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC001574361685 1163705216 /nfs/dbraw/zinc/70/52/16/1163705216.db2.gz HGFDJZYRRXHTRX-VIFPVBQESA-N -1 1 308.269 0.063 20 0 DCADMM O=C([O-])C[C@H](O)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC001574361685 1163705221 /nfs/dbraw/zinc/70/52/21/1163705221.db2.gz HGFDJZYRRXHTRX-VIFPVBQESA-N -1 1 308.269 0.063 20 0 DCADMM O=C([O-])Cc1csc(CNC(=O)Cc2n[nH]c(C3CC3)n2)n1 ZINC001574375712 1163709263 /nfs/dbraw/zinc/70/92/63/1163709263.db2.gz XWLFKYZEGCLXNB-UHFFFAOYSA-N -1 1 321.362 0.625 20 0 DCADMM O=C([O-])c1cnn2cc(CNC[C@H](O)C(F)(F)F)cnc12 ZINC001574423000 1163718857 /nfs/dbraw/zinc/71/88/57/1163718857.db2.gz PCMGZMAEVYFAOA-QMMMGPOBSA-N -1 1 304.228 0.440 20 0 DCADMM C[C@@H](C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CC1 ZINC001574548622 1163731913 /nfs/dbraw/zinc/73/19/13/1163731913.db2.gz YPOHGZUXZONNJE-IUCAKERBSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@@H](C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CC1 ZINC001574548622 1163731917 /nfs/dbraw/zinc/73/19/17/1163731917.db2.gz YPOHGZUXZONNJE-IUCAKERBSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C ZINC001574803346 1163755987 /nfs/dbraw/zinc/75/59/87/1163755987.db2.gz LJLIOYXDSPTLSD-KXUCPTDWSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)CCCF ZINC001574814357 1163759196 /nfs/dbraw/zinc/75/91/96/1163759196.db2.gz WGXFJZOGLLADKE-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM C[C@@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)CCCF ZINC001574814357 1163759200 /nfs/dbraw/zinc/75/92/00/1163759200.db2.gz WGXFJZOGLLADKE-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM C[C@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)CCCF ZINC001574814355 1163759419 /nfs/dbraw/zinc/75/94/19/1163759419.db2.gz WGXFJZOGLLADKE-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)CCCF ZINC001574814355 1163759424 /nfs/dbraw/zinc/75/94/24/1163759424.db2.gz WGXFJZOGLLADKE-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574832613 1163763837 /nfs/dbraw/zinc/76/38/37/1163763837.db2.gz VKLXOQNCBBAYKV-VIFPVBQESA-N -1 1 318.385 0.867 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574832613 1163763839 /nfs/dbraw/zinc/76/38/39/1163763839.db2.gz VKLXOQNCBBAYKV-VIFPVBQESA-N -1 1 318.385 0.867 20 0 DCADMM C[C@H](CNC(=O)C1CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574869023 1163780287 /nfs/dbraw/zinc/78/02/87/1163780287.db2.gz RLSHXDRZORYDJD-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)C1CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574869023 1163780291 /nfs/dbraw/zinc/78/02/91/1163780291.db2.gz RLSHXDRZORYDJD-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM Cc1cnccc1CC(=O)NCCNC(=O)c1ncccc1[O-] ZINC001575057498 1163872385 /nfs/dbraw/zinc/87/23/85/1163872385.db2.gz DXQDQSAXZVJPOX-UHFFFAOYSA-N -1 1 314.345 0.579 20 0 DCADMM CC1(C)CCC[N@H+]1Cc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1 ZINC001575693904 1164107001 /nfs/dbraw/zinc/10/70/01/1164107001.db2.gz SUGJPECRNVCKEK-UHFFFAOYSA-N -1 1 314.353 0.989 20 0 DCADMM C[C@@]1(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CCOC1=O ZINC001575836278 1164167098 /nfs/dbraw/zinc/16/70/98/1164167098.db2.gz MFUWXODMPKCHFC-GFCCVEGCSA-N -1 1 322.712 0.351 20 0 DCADMM C[C@@H](CNC(=O)C1CC(C)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575959690 1164194054 /nfs/dbraw/zinc/19/40/54/1164194054.db2.gz RQKOSZJGVDRPSS-KYHHOPLUSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)C1CC(C)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575959690 1164194058 /nfs/dbraw/zinc/19/40/58/1164194058.db2.gz RQKOSZJGVDRPSS-KYHHOPLUSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CN(C)C(=O)[C@@H](N)c1c(F)cccc1F)c1nn[n-]n1 ZINC001575971745 1164197607 /nfs/dbraw/zinc/19/76/07/1164197607.db2.gz GVRLUAYWUQLAQB-HQJQHLMTSA-N -1 1 310.308 0.740 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)CCN1c1cnccn1 ZINC001576362513 1164314756 /nfs/dbraw/zinc/31/47/56/1164314756.db2.gz BSPRKKXZUYFQOV-SNVBAGLBSA-N -1 1 324.352 0.162 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)CCN1c1cnccn1 ZINC001576362513 1164314762 /nfs/dbraw/zinc/31/47/62/1164314762.db2.gz BSPRKKXZUYFQOV-SNVBAGLBSA-N -1 1 324.352 0.162 20 0 DCADMM CCC(=O)N1CC[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576415552 1164334842 /nfs/dbraw/zinc/33/48/42/1164334842.db2.gz WQGQLMGLDRQTMI-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576415552 1164334850 /nfs/dbraw/zinc/33/48/50/1164334850.db2.gz WQGQLMGLDRQTMI-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001576427691 1164339574 /nfs/dbraw/zinc/33/95/74/1164339574.db2.gz MVYBTMIYXIYUMO-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001576427691 1164339579 /nfs/dbraw/zinc/33/95/79/1164339579.db2.gz MVYBTMIYXIYUMO-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576441275 1164346024 /nfs/dbraw/zinc/34/60/24/1164346024.db2.gz WJZDWZJWQUWTPK-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576441275 1164346030 /nfs/dbraw/zinc/34/60/30/1164346030.db2.gz WJZDWZJWQUWTPK-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001576445219 1164347403 /nfs/dbraw/zinc/34/74/03/1164347403.db2.gz PZHWVVSZSVPNAD-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001576445219 1164347411 /nfs/dbraw/zinc/34/74/11/1164347411.db2.gz PZHWVVSZSVPNAD-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001576471069 1164354588 /nfs/dbraw/zinc/35/45/88/1164354588.db2.gz JIKPRINNYNNYGW-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001576471069 1164354596 /nfs/dbraw/zinc/35/45/96/1164354596.db2.gz JIKPRINNYNNYGW-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576471619 1164356508 /nfs/dbraw/zinc/35/65/08/1164356508.db2.gz PQKBTIJVGUZPDJ-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CC[C@H](C)C(=O)N(CC)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576563929 1164393411 /nfs/dbraw/zinc/39/34/11/1164393411.db2.gz OVPXZUMSSIDLFH-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)C(=O)N(CC)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576563929 1164393415 /nfs/dbraw/zinc/39/34/15/1164393415.db2.gz OVPXZUMSSIDLFH-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)C(=O)N(CC)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576564548 1164393559 /nfs/dbraw/zinc/39/35/59/1164393559.db2.gz SGLVNLLELQIXTA-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)C(=O)N(CC)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576564548 1164393563 /nfs/dbraw/zinc/39/35/63/1164393563.db2.gz SGLVNLLELQIXTA-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576576640 1164400664 /nfs/dbraw/zinc/40/06/64/1164400664.db2.gz NUDSODLKUUYVRM-ZJUUUORDSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576576640 1164400665 /nfs/dbraw/zinc/40/06/65/1164400665.db2.gz NUDSODLKUUYVRM-ZJUUUORDSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)NC(=O)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001576654552 1164424717 /nfs/dbraw/zinc/42/47/17/1164424717.db2.gz IHGZIVSQPUXEPO-VIFPVBQESA-N -1 1 316.365 0.432 20 0 DCADMM CC[C@H](CNC(=O)[C@@H](F)CC)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576777440 1164461367 /nfs/dbraw/zinc/46/13/67/1164461367.db2.gz NWUJYDPDKIWVSL-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](CNC(=O)[C@@H](F)CC)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576777440 1164461372 /nfs/dbraw/zinc/46/13/72/1164461372.db2.gz NWUJYDPDKIWVSL-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](CNC(=O)C1(C)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576777892 1164461800 /nfs/dbraw/zinc/46/18/00/1164461800.db2.gz GKNKKTFHTICNHP-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM CC[C@@H](CNC(=O)CC1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001576803885 1164470340 /nfs/dbraw/zinc/47/03/40/1164470340.db2.gz RBXDONAJMSXSHK-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)CC1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001576803885 1164470341 /nfs/dbraw/zinc/47/03/41/1164470341.db2.gz RBXDONAJMSXSHK-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576848274 1164494345 /nfs/dbraw/zinc/49/43/45/1164494345.db2.gz OOHNIPYBWWBDMO-AEJSXWLSSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576848274 1164494348 /nfs/dbraw/zinc/49/43/48/1164494348.db2.gz OOHNIPYBWWBDMO-AEJSXWLSSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001576939643 1164545492 /nfs/dbraw/zinc/54/54/92/1164545492.db2.gz GUCGSLYHFMIZSQ-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001576939643 1164545498 /nfs/dbraw/zinc/54/54/98/1164545498.db2.gz GUCGSLYHFMIZSQ-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001576939505 1164545617 /nfs/dbraw/zinc/54/56/17/1164545617.db2.gz FROKCLKDHVFEBE-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001576939505 1164545621 /nfs/dbraw/zinc/54/56/21/1164545621.db2.gz FROKCLKDHVFEBE-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576942455 1164548019 /nfs/dbraw/zinc/54/80/19/1164548019.db2.gz QJBJHWKGBWRLTQ-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576942455 1164548027 /nfs/dbraw/zinc/54/80/27/1164548027.db2.gz QJBJHWKGBWRLTQ-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CCC1(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001577087005 1164599933 /nfs/dbraw/zinc/59/99/33/1164599933.db2.gz HGRNWWOKFNXREG-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001577087005 1164599939 /nfs/dbraw/zinc/59/99/39/1164599939.db2.gz HGRNWWOKFNXREG-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC/C=C(/C)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001577183286 1164625981 /nfs/dbraw/zinc/62/59/81/1164625981.db2.gz YKYWSMHDUFCCSS-YHYXMXQVSA-N -1 1 316.369 0.565 20 0 DCADMM CC/C=C(/C)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001577183286 1164625989 /nfs/dbraw/zinc/62/59/89/1164625989.db2.gz YKYWSMHDUFCCSS-YHYXMXQVSA-N -1 1 316.369 0.565 20 0 DCADMM CCCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001577203166 1164632951 /nfs/dbraw/zinc/63/29/51/1164632951.db2.gz QDANPTPFWCNOCA-NSHDSACASA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001577203166 1164632955 /nfs/dbraw/zinc/63/29/55/1164632955.db2.gz QDANPTPFWCNOCA-NSHDSACASA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@H](C)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001577202268 1164633113 /nfs/dbraw/zinc/63/31/13/1164633113.db2.gz CTLVBLUIHHSQIM-SNVBAGLBSA-N -1 1 318.385 0.706 20 0 DCADMM CCCC(=O)N[C@H](C)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001577202268 1164633116 /nfs/dbraw/zinc/63/31/16/1164633116.db2.gz CTLVBLUIHHSQIM-SNVBAGLBSA-N -1 1 318.385 0.706 20 0 DCADMM CCCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577210799 1164635673 /nfs/dbraw/zinc/63/56/73/1164635673.db2.gz MOVAYWDJIFUKLQ-SECBINFHSA-N -1 1 302.342 0.152 20 0 DCADMM CCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577210799 1164635677 /nfs/dbraw/zinc/63/56/77/1164635677.db2.gz MOVAYWDJIFUKLQ-SECBINFHSA-N -1 1 302.342 0.152 20 0 DCADMM CCCC(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001577216251 1164637610 /nfs/dbraw/zinc/63/76/10/1164637610.db2.gz QDHINEMMCJDIEN-ONEGZZNKSA-N -1 1 302.342 0.541 20 0 DCADMM CCCC(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001577216251 1164637613 /nfs/dbraw/zinc/63/76/13/1164637613.db2.gz QDHINEMMCJDIEN-ONEGZZNKSA-N -1 1 302.342 0.541 20 0 DCADMM CCCC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001577216215 1164638482 /nfs/dbraw/zinc/63/84/82/1164638482.db2.gz PQECDQADZTXNSW-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001577216215 1164638484 /nfs/dbraw/zinc/63/84/84/1164638484.db2.gz PQECDQADZTXNSW-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001577219124 1164639526 /nfs/dbraw/zinc/63/95/26/1164639526.db2.gz YYBGOAKWAFQBGQ-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001577219124 1164639527 /nfs/dbraw/zinc/63/95/27/1164639527.db2.gz YYBGOAKWAFQBGQ-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577225387 1164643841 /nfs/dbraw/zinc/64/38/41/1164643841.db2.gz PWAIZKIKCWONAE-AOOOYVTPSA-N -1 1 316.369 0.824 20 0 DCADMM CCCC(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577225387 1164643846 /nfs/dbraw/zinc/64/38/46/1164643846.db2.gz PWAIZKIKCWONAE-AOOOYVTPSA-N -1 1 316.369 0.824 20 0 DCADMM C[C@@H]1OCC[C@@H]1C(=O)NCCCN(C)C(=O)c1ncccc1[O-] ZINC001577311055 1164665742 /nfs/dbraw/zinc/66/57/42/1164665742.db2.gz AFPOPBSNHOVGNY-RYUDHWBXSA-N -1 1 321.377 0.791 20 0 DCADMM CCC[C@@H](O)[C@@H](CO)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001577327057 1164671424 /nfs/dbraw/zinc/67/14/24/1164671424.db2.gz YUMUINUTOPBOFQ-GHMZBOCLSA-N -1 1 319.369 0.468 20 0 DCADMM CCC[C@@H](O)[C@@H](CO)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001577327057 1164671429 /nfs/dbraw/zinc/67/14/29/1164671429.db2.gz YUMUINUTOPBOFQ-GHMZBOCLSA-N -1 1 319.369 0.468 20 0 DCADMM CCCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577416049 1164688048 /nfs/dbraw/zinc/68/80/48/1164688048.db2.gz BHJZFQNQPHQZMM-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577416049 1164688066 /nfs/dbraw/zinc/68/80/66/1164688066.db2.gz BHJZFQNQPHQZMM-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCS(=O)(=O)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001578414540 1165004258 /nfs/dbraw/zinc/00/42/58/1165004258.db2.gz KRWYBWVDRROKHU-UHFFFAOYSA-N -1 1 315.380 0.093 20 0 DCADMM CC[C@@H]1CC[C@@H](C)N(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001578427894 1165013225 /nfs/dbraw/zinc/01/32/25/1165013225.db2.gz PXCHYEHMIWFQAT-RKDXNWHRSA-N -1 1 319.369 0.269 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001578439855 1165016943 /nfs/dbraw/zinc/01/69/43/1165016943.db2.gz DBKZETFZWSFLJT-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001578439855 1165016952 /nfs/dbraw/zinc/01/69/52/1165016952.db2.gz DBKZETFZWSFLJT-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001578474489 1165030645 /nfs/dbraw/zinc/03/06/45/1165030645.db2.gz MQZVBUATEALGMQ-WKEGUHRASA-N -1 1 320.357 0.388 20 0 DCADMM CCn1ncc(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)n1 ZINC001578820848 1165129344 /nfs/dbraw/zinc/12/93/44/1165129344.db2.gz YEGVZXFTUDOTSH-UHFFFAOYSA-N -1 1 315.297 0.134 20 0 DCADMM CN(C(=O)Cc1cncs1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578886405 1165151380 /nfs/dbraw/zinc/15/13/80/1165151380.db2.gz QGWCPWUITUYXTF-UHFFFAOYSA-N -1 1 301.335 0.924 20 0 DCADMM CN(C)C(=O)OCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001578960890 1165170127 /nfs/dbraw/zinc/17/01/27/1165170127.db2.gz TWVNJORGBCNMLW-UHFFFAOYSA-N -1 1 314.309 0.781 20 0 DCADMM CN(CCNC(=O)c1ccco1)c1ccc(-c2nnn[n-]2)nn1 ZINC001579200821 1165236099 /nfs/dbraw/zinc/23/60/99/1165236099.db2.gz UDMCQKPGHRLAEA-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN(CCNC(=O)c1ccco1)c1ccc(-c2nn[n-]n2)nn1 ZINC001579200821 1165236102 /nfs/dbraw/zinc/23/61/02/1165236102.db2.gz UDMCQKPGHRLAEA-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM COc1cccc2c1CC[C@]2(N)C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC001579288531 1165262584 /nfs/dbraw/zinc/26/25/84/1165262584.db2.gz SLBFXENIRZSJJJ-OAHLLOKOSA-N -1 1 318.333 0.543 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001579470294 1165320611 /nfs/dbraw/zinc/32/06/11/1165320611.db2.gz ADJQMMCMTYWNBC-NKWVEPMBSA-N -1 1 322.350 0.404 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001579470294 1165320617 /nfs/dbraw/zinc/32/06/17/1165320617.db2.gz ADJQMMCMTYWNBC-NKWVEPMBSA-N -1 1 322.350 0.404 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1ccnc(-c3nnn[n-]3)c1)C2 ZINC001579472981 1165321748 /nfs/dbraw/zinc/32/17/48/1165321748.db2.gz SVOMYXCBSOMQFN-YACGNSKGSA-N -1 1 300.322 0.437 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1ccnc(-c3nn[n-]n3)c1)C2 ZINC001579472981 1165321757 /nfs/dbraw/zinc/32/17/57/1165321757.db2.gz SVOMYXCBSOMQFN-YACGNSKGSA-N -1 1 300.322 0.437 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001579474911 1165324942 /nfs/dbraw/zinc/32/49/42/1165324942.db2.gz HTCXUWPXFHNTNO-XPTSAGLGSA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001579474911 1165324948 /nfs/dbraw/zinc/32/49/48/1165324948.db2.gz HTCXUWPXFHNTNO-XPTSAGLGSA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)c1ccc(N2CC[C@@H](C)[C@H](O)C2)c(-c2nnn[n-]2)n1 ZINC001579482374 1165326697 /nfs/dbraw/zinc/32/66/97/1165326697.db2.gz FYKBRCVPSKRRFY-LDYMZIIASA-N -1 1 318.337 0.255 20 0 DCADMM COC(=O)c1ccc(N2CC[C@@H](C)[C@H](O)C2)c(-c2nn[n-]n2)n1 ZINC001579482374 1165326710 /nfs/dbraw/zinc/32/67/10/1165326710.db2.gz FYKBRCVPSKRRFY-LDYMZIIASA-N -1 1 318.337 0.255 20 0 DCADMM COC(=O)c1ccc(NCCc2cc[nH]n2)c(-c2nn[n-]n2)n1 ZINC001579483953 1165328775 /nfs/dbraw/zinc/32/87/75/1165328775.db2.gz RFTPRLVRFNZFRW-UHFFFAOYSA-N -1 1 314.309 0.426 20 0 DCADMM COCc1nocc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001579844775 1165407304 /nfs/dbraw/zinc/40/73/04/1165407304.db2.gz NBLOCNIILVMCFI-UHFFFAOYSA-N -1 1 315.293 0.673 20 0 DCADMM COCc1nocc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001579844775 1165407313 /nfs/dbraw/zinc/40/73/13/1165407313.db2.gz NBLOCNIILVMCFI-UHFFFAOYSA-N -1 1 315.293 0.673 20 0 DCADMM COc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)sn1 ZINC001579910000 1165432129 /nfs/dbraw/zinc/43/21/29/1165432129.db2.gz MYKFACIBLFLDTJ-UHFFFAOYSA-N -1 1 323.363 0.718 20 0 DCADMM COc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)sn1 ZINC001579910000 1165432134 /nfs/dbraw/zinc/43/21/34/1165432134.db2.gz MYKFACIBLFLDTJ-UHFFFAOYSA-N -1 1 323.363 0.718 20 0 DCADMM COc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)ccn1 ZINC001579910191 1165432888 /nfs/dbraw/zinc/43/28/88/1165432888.db2.gz SOXSLDRULLGIRN-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)ccn1 ZINC001579910191 1165432892 /nfs/dbraw/zinc/43/28/92/1165432892.db2.gz SOXSLDRULLGIRN-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM Cc1sc(CN)nc1C(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC001579934988 1165443063 /nfs/dbraw/zinc/44/30/63/1165443063.db2.gz ZMBCNBBVUSDDMV-UHFFFAOYSA-N -1 1 316.342 0.851 20 0 DCADMM COc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)nn2)cc1OC ZINC001579968887 1165454287 /nfs/dbraw/zinc/45/42/87/1165454287.db2.gz CFUSFEQYUDCJMR-UHFFFAOYSA-N -1 1 315.293 0.358 20 0 DCADMM COc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001579984719 1165459622 /nfs/dbraw/zinc/45/96/22/1165459622.db2.gz OBPOAHURSAZUQK-UHFFFAOYSA-N -1 1 318.322 0.052 20 0 DCADMM COc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001579984719 1165459624 /nfs/dbraw/zinc/45/96/24/1165459624.db2.gz OBPOAHURSAZUQK-UHFFFAOYSA-N -1 1 318.322 0.052 20 0 DCADMM COc1cccc([C@@H](O)CNc2ncncc2-c2nn[n-]n2)c1 ZINC001580064661 1165488997 /nfs/dbraw/zinc/48/89/97/1165488997.db2.gz YRYFZXGUZAAFGY-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM COc1nccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])n1 ZINC001580143224 1165517961 /nfs/dbraw/zinc/51/79/61/1165517961.db2.gz XFHYKJNSAVJEGG-UHFFFAOYSA-N -1 1 313.277 0.623 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N2CCCOC2)cc1-c1nn[n-]n1 ZINC001580230618 1165542201 /nfs/dbraw/zinc/54/22/01/1165542201.db2.gz CTFCKDYMPIBLEH-UHFFFAOYSA-N -1 1 322.350 0.509 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc[nH]c1 ZINC001580293752 1165562203 /nfs/dbraw/zinc/56/22/03/1165562203.db2.gz LGGRPIVHTMMFCZ-QMMMGPOBSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc[nH]c1 ZINC001580293752 1165562208 /nfs/dbraw/zinc/56/22/08/1165562208.db2.gz LGGRPIVHTMMFCZ-QMMMGPOBSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1=CCCC1 ZINC001580418588 1165597070 /nfs/dbraw/zinc/59/70/70/1165597070.db2.gz JYKHNIIMASFFJI-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1=CCCC1 ZINC001580418588 1165597079 /nfs/dbraw/zinc/59/70/79/1165597079.db2.gz JYKHNIIMASFFJI-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001580452649 1165605460 /nfs/dbraw/zinc/60/54/60/1165605460.db2.gz WFHBVYKKNHWFOD-GUBZILKMSA-N -1 1 314.353 0.008 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC(C(C)(C)O)C1 ZINC001580597007 1165649809 /nfs/dbraw/zinc/64/98/09/1165649809.db2.gz BSKYAFUGTDLKFS-UHFFFAOYSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@@](C)(O)C1 ZINC001580598237 1165650218 /nfs/dbraw/zinc/65/02/18/1165650218.db2.gz TZOGHBSZTXRJGO-CQSZACIVSA-N -1 1 318.337 0.263 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)c1ncon1 ZINC001580604243 1165653436 /nfs/dbraw/zinc/65/34/36/1165653436.db2.gz ZYAQJYZMPQALLE-ZCFIWIBFSA-N -1 1 316.281 0.150 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2C)n1 ZINC001580696441 1165689436 /nfs/dbraw/zinc/68/94/36/1165689436.db2.gz WGQGORFRMBMFCQ-FKTZTGRPSA-N -1 1 316.369 0.538 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2C)n1 ZINC001580696441 1165689445 /nfs/dbraw/zinc/68/94/45/1165689445.db2.gz WGQGORFRMBMFCQ-FKTZTGRPSA-N -1 1 316.369 0.538 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCNC(=O)[C@@H]2C[C@@H]2C)n1 ZINC001580742185 1165707243 /nfs/dbraw/zinc/70/72/43/1165707243.db2.gz XOQULONVTDPJAY-WCBMZHEXSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCNC(=O)[C@@H]2C[C@@H]2C)n1 ZINC001580742185 1165707250 /nfs/dbraw/zinc/70/72/50/1165707250.db2.gz XOQULONVTDPJAY-WCBMZHEXSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCN(C)C(=O)C2CCC2)n1 ZINC001580745867 1165708183 /nfs/dbraw/zinc/70/81/83/1165708183.db2.gz NIQRLJYPCCJJKH-UHFFFAOYSA-N -1 1 316.369 0.636 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCN(C)C(=O)C2CCC2)n1 ZINC001580745867 1165708191 /nfs/dbraw/zinc/70/81/91/1165708191.db2.gz NIQRLJYPCCJJKH-UHFFFAOYSA-N -1 1 316.369 0.636 20 0 DCADMM Cc1cc(C(F)F)n(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001580889381 1165752421 /nfs/dbraw/zinc/75/24/21/1165752421.db2.gz RIYXWJLAFIUSOV-UHFFFAOYSA-N -1 1 323.267 0.671 20 0 DCADMM Cc1cc(C(F)F)n(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001580889381 1165752425 /nfs/dbraw/zinc/75/24/25/1165752425.db2.gz RIYXWJLAFIUSOV-UHFFFAOYSA-N -1 1 323.267 0.671 20 0 DCADMM Cc1cc(CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)on1 ZINC001580920194 1165757107 /nfs/dbraw/zinc/75/71/07/1165757107.db2.gz ICGNGRCBXPQIEJ-UHFFFAOYSA-N -1 1 314.309 0.945 20 0 DCADMM Cc1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)ccn1 ZINC001580926556 1165758232 /nfs/dbraw/zinc/75/82/32/1165758232.db2.gz AFICLXRPPBWUSB-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1nc(NCc2c(C)c(C)n[nH]c2=O)cc(-c2nnn[n-]2)n1 ZINC001581526277 1165839195 /nfs/dbraw/zinc/83/91/95/1165839195.db2.gz PMPZZCGYWREKIZ-UHFFFAOYSA-N -1 1 313.325 0.690 20 0 DCADMM Cc1nc(NCc2c(C)c(C)n[nH]c2=O)cc(-c2nn[n-]n2)n1 ZINC001581526277 1165839202 /nfs/dbraw/zinc/83/92/02/1165839202.db2.gz PMPZZCGYWREKIZ-UHFFFAOYSA-N -1 1 313.325 0.690 20 0 DCADMM Cc1nsc(NC(=O)CCc2cncnc2)c1-c1nnn[n-]1 ZINC001581683913 1165857897 /nfs/dbraw/zinc/85/78/97/1165857897.db2.gz PQBGGOVKQGGWFC-UHFFFAOYSA-N -1 1 316.350 0.993 20 0 DCADMM Cc1nsc(NC(=O)CCc2cncnc2)c1-c1nn[n-]n1 ZINC001581683913 1165857899 /nfs/dbraw/zinc/85/78/99/1165857899.db2.gz PQBGGOVKQGGWFC-UHFFFAOYSA-N -1 1 316.350 0.993 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CC23CCOCC3)c1-c1nnn[n-]1 ZINC001581739280 1165863599 /nfs/dbraw/zinc/86/35/99/1165863599.db2.gz OLVSFFOCZJGLQI-JTQLQIEISA-N -1 1 318.337 0.391 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CC23CCOCC3)c1-c1nn[n-]n1 ZINC001581739280 1165863607 /nfs/dbraw/zinc/86/36/07/1165863607.db2.gz OLVSFFOCZJGLQI-JTQLQIEISA-N -1 1 318.337 0.391 20 0 DCADMM Cn1c(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c[nH]c1=O ZINC001581751808 1165867300 /nfs/dbraw/zinc/86/73/00/1165867300.db2.gz RQYZOQDLWLWSHO-UHFFFAOYSA-N -1 1 315.297 0.159 20 0 DCADMM Cn1cncc1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001581817844 1165881043 /nfs/dbraw/zinc/88/10/43/1165881043.db2.gz SJPSIBIMAOVJQH-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1cncc1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001581817844 1165881049 /nfs/dbraw/zinc/88/10/49/1165881049.db2.gz SJPSIBIMAOVJQH-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1nnc2cc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)ccc21 ZINC001581846191 1165885320 /nfs/dbraw/zinc/88/53/20/1165885320.db2.gz YVANDSZFLIMBRG-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1nnc2cc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)ccc21 ZINC001581846191 1165885323 /nfs/dbraw/zinc/88/53/23/1165885323.db2.gz YVANDSZFLIMBRG-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM NC(=O)C1CCC(NC(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001581888903 1165904819 /nfs/dbraw/zinc/90/48/19/1165904819.db2.gz VTCHDZLENPMPMX-UHFFFAOYSA-N -1 1 320.378 0.702 20 0 DCADMM NC(=O)c1ccc(COC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001581904554 1165905644 /nfs/dbraw/zinc/90/56/44/1165905644.db2.gz LTMLZRYNOXEPOV-UHFFFAOYSA-N -1 1 313.273 0.916 20 0 DCADMM NC(=O)c1ccc(COC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001581904554 1165905645 /nfs/dbraw/zinc/90/56/45/1165905645.db2.gz LTMLZRYNOXEPOV-UHFFFAOYSA-N -1 1 313.273 0.916 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001581900654 1165905760 /nfs/dbraw/zinc/90/57/60/1165905760.db2.gz PXQBQZOJWPETJX-POYBYMJQSA-N -1 1 306.351 0.312 20 0 DCADMM NC(=O)N1CCCN(C(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001581895909 1165906405 /nfs/dbraw/zinc/90/64/05/1165906405.db2.gz FABPAPZRJZJQIO-UHFFFAOYSA-N -1 1 321.366 0.155 20 0 DCADMM NC(=O)CCN(Cc1ccccc1)c1ccnc(-c2nn[n-]n2)n1 ZINC001581893700 1165907393 /nfs/dbraw/zinc/90/73/93/1165907393.db2.gz FFQBIZWLSUMALV-UHFFFAOYSA-N -1 1 324.348 0.539 20 0 DCADMM NC(=O)c1cccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001581904829 1165909558 /nfs/dbraw/zinc/90/95/58/1165909558.db2.gz AKAXGHIEQINOQV-UHFFFAOYSA-N -1 1 323.316 0.291 20 0 DCADMM NC(=O)c1cccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001581904829 1165909568 /nfs/dbraw/zinc/90/95/68/1165909568.db2.gz AKAXGHIEQINOQV-UHFFFAOYSA-N -1 1 323.316 0.291 20 0 DCADMM NC(=O)c1csc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001581906545 1165910554 /nfs/dbraw/zinc/91/05/54/1165910554.db2.gz SLLXZUPVEVMDNE-UHFFFAOYSA-N -1 1 305.279 0.267 20 0 DCADMM NC(=O)c1csc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001581906545 1165910557 /nfs/dbraw/zinc/91/05/57/1165910557.db2.gz SLLXZUPVEVMDNE-UHFFFAOYSA-N -1 1 305.279 0.267 20 0 DCADMM O=C(C1CCC1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001581931304 1165916923 /nfs/dbraw/zinc/91/69/23/1165916923.db2.gz GDKJLJVEQNURDA-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CCC1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001581931304 1165916929 /nfs/dbraw/zinc/91/69/29/1165916929.db2.gz GDKJLJVEQNURDA-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CCCF)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001582045790 1165944642 /nfs/dbraw/zinc/94/46/42/1165944642.db2.gz GJASJSMHMOZGIE-VIFPVBQESA-N -1 1 320.332 0.101 20 0 DCADMM O=C(CCCF)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001582045790 1165944646 /nfs/dbraw/zinc/94/46/46/1165944646.db2.gz GJASJSMHMOZGIE-VIFPVBQESA-N -1 1 320.332 0.101 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1cncs1 ZINC001582109367 1165957727 /nfs/dbraw/zinc/95/77/27/1165957727.db2.gz ZMZAQPBLZFEXPS-UHFFFAOYSA-N -1 1 320.359 0.997 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1cncs1 ZINC001582109367 1165957733 /nfs/dbraw/zinc/95/77/33/1165957733.db2.gz ZMZAQPBLZFEXPS-UHFFFAOYSA-N -1 1 320.359 0.997 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cccc(CCO)c1 ZINC001582138884 1165967493 /nfs/dbraw/zinc/96/74/93/1165967493.db2.gz LPUDIZIYGGGAQJ-UHFFFAOYSA-N -1 1 324.344 0.978 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cccc(CCO)c1 ZINC001582138884 1165967501 /nfs/dbraw/zinc/96/75/01/1165967501.db2.gz LPUDIZIYGGGAQJ-UHFFFAOYSA-N -1 1 324.344 0.978 20 0 DCADMM CCOCCC(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001582143004 1165969066 /nfs/dbraw/zinc/96/90/66/1165969066.db2.gz QICHWMMTIXBRNW-UHFFFAOYSA-N -1 1 307.350 0.402 20 0 DCADMM O=C(N[C@H](CO)CC1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582230809 1165986030 /nfs/dbraw/zinc/98/60/30/1165986030.db2.gz MHMRBRZOFGZJRS-LBPRGKRZSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(N[C@H](CO)CC1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582230809 1165986035 /nfs/dbraw/zinc/98/60/35/1165986035.db2.gz MHMRBRZOFGZJRS-LBPRGKRZSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(N[C@@H](CO)CC1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582230808 1165986563 /nfs/dbraw/zinc/98/65/63/1165986563.db2.gz MHMRBRZOFGZJRS-GFCCVEGCSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(N[C@@H](CO)CC1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582230808 1165986567 /nfs/dbraw/zinc/98/65/67/1165986567.db2.gz MHMRBRZOFGZJRS-GFCCVEGCSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(N[C@@H](CO)c1ccccn1)c1ccsc1-c1nnn[n-]1 ZINC001582232618 1165988716 /nfs/dbraw/zinc/98/87/16/1165988716.db2.gz OMHHQZFONPAABH-JTQLQIEISA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@@H](CO)c1ccccn1)c1ccsc1-c1nn[n-]n1 ZINC001582232618 1165988722 /nfs/dbraw/zinc/98/87/22/1165988722.db2.gz OMHHQZFONPAABH-JTQLQIEISA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)c1sccc1-c1nn[nH]n1 ZINC001582245819 1165991156 /nfs/dbraw/zinc/99/11/56/1165991156.db2.gz DMXFFKHSOUZBCK-UHFFFAOYSA-N -1 1 317.338 0.251 20 0 DCADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001582301132 1165998472 /nfs/dbraw/zinc/99/84/72/1165998472.db2.gz LLIANRZTMGJNOQ-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001582301132 1165998476 /nfs/dbraw/zinc/99/84/76/1165998476.db2.gz LLIANRZTMGJNOQ-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H](O)c1ccccn1 ZINC001582548233 1166039213 /nfs/dbraw/zinc/03/92/13/1166039213.db2.gz KQICGSJGGUMISW-NSHDSACASA-N -1 1 316.346 0.673 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1Cc2ccccc2O1 ZINC001582554456 1166042092 /nfs/dbraw/zinc/04/20/92/1166042092.db2.gz KELPVTYMKQVQIM-CQSZACIVSA-N -1 1 322.328 0.882 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1Cc2ccccc2O1 ZINC001582554456 1166042102 /nfs/dbraw/zinc/04/21/02/1166042102.db2.gz KELPVTYMKQVQIM-CQSZACIVSA-N -1 1 322.328 0.882 20 0 DCADMM O=C(NCc1nccnc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001582560246 1166047120 /nfs/dbraw/zinc/04/71/20/1166047120.db2.gz VMDRFZVIVSVFDV-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(NCc1nccnc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001582560246 1166047123 /nfs/dbraw/zinc/04/71/23/1166047123.db2.gz VMDRFZVIVSVFDV-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(N[C@H](CO)C(F)(F)F)c1ccsc1-c1nnn[n-]1 ZINC001582585992 1166050128 /nfs/dbraw/zinc/05/01/28/1166050128.db2.gz BOXMQODIYIIYRE-RXMQYKEDSA-N -1 1 307.257 0.581 20 0 DCADMM O=C(N[C@H](CO)C(F)(F)F)c1ccsc1-c1nn[n-]n1 ZINC001582585992 1166050136 /nfs/dbraw/zinc/05/01/36/1166050136.db2.gz BOXMQODIYIIYRE-RXMQYKEDSA-N -1 1 307.257 0.581 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CCn2ccnc21 ZINC001582645283 1166059461 /nfs/dbraw/zinc/05/94/61/1166059461.db2.gz QSZOWQSICSIPFH-SECBINFHSA-N -1 1 311.309 0.725 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CCn2ccnc21 ZINC001582645283 1166059465 /nfs/dbraw/zinc/05/94/65/1166059465.db2.gz QSZOWQSICSIPFH-SECBINFHSA-N -1 1 311.309 0.725 20 0 DCADMM O=C1[C@@H](NCc2nc(-c3nn[n-]n3)cs2)C[C@@H]2CCCCN12 ZINC001582755711 1166076686 /nfs/dbraw/zinc/07/66/86/1166076686.db2.gz DCVDNXMKTUJHJQ-IUCAKERBSA-N -1 1 319.394 0.566 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCOC(=O)N1 ZINC001582782711 1166079345 /nfs/dbraw/zinc/07/93/45/1166079345.db2.gz RPDZBTDHTOESDV-SSDOTTSWSA-N -1 1 308.323 0.043 20 0 DCADMM O=S(=O)(CCC1CCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582791052 1166081862 /nfs/dbraw/zinc/08/18/62/1166081862.db2.gz ROIZXIBVATXWRU-UHFFFAOYSA-N -1 1 322.394 0.871 20 0 DCADMM O=S(=O)(CCC1CCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582791052 1166081868 /nfs/dbraw/zinc/08/18/68/1166081868.db2.gz ROIZXIBVATXWRU-UHFFFAOYSA-N -1 1 322.394 0.871 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001582788497 1166082267 /nfs/dbraw/zinc/08/22/67/1166082267.db2.gz QOILBUCJQCOZHX-IONNQARKSA-N -1 1 318.293 0.030 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001582788497 1166082270 /nfs/dbraw/zinc/08/22/70/1166082270.db2.gz QOILBUCJQCOZHX-IONNQARKSA-N -1 1 318.293 0.030 20 0 DCADMM O[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)Cc1ccc(F)cc1 ZINC001582809185 1166087545 /nfs/dbraw/zinc/08/75/45/1166087545.db2.gz IIFXHNSITCADCR-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)Cc1ccc(F)cc1 ZINC001582809185 1166087552 /nfs/dbraw/zinc/08/75/52/1166087552.db2.gz IIFXHNSITCADCR-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM COCCN1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001585117729 1166401940 /nfs/dbraw/zinc/40/19/40/1166401940.db2.gz UPQROLZRDCYJNL-UHFFFAOYSA-N -1 1 321.406 0.422 20 0 DCADMM CN(C(=O)c1cnc2cc(F)c(F)cc2c1O)c1nn[n-]n1 ZINC001585910707 1166468802 /nfs/dbraw/zinc/46/88/02/1166468802.db2.gz LHVZQGITXQANMO-UHFFFAOYSA-N -1 1 306.232 0.596 20 0 DCADMM O=C([N-]n1ccc(=O)[nH]c1=O)c1cc(-c2cccs2)[nH]n1 ZINC001586185774 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KJEPFESATDCGKK-UHFFFAOYSA-N -1 1 312.337 0.969 20 0 DCADMM CC(C)n1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001589782978 1166684908 /nfs/dbraw/zinc/68/49/08/1166684908.db2.gz KJEPFESATDCGKK-UHFFFAOYSA-N -1 1 312.337 0.969 20 0 DCADMM CC(C)n1cnnc1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001589785146 1166686306 /nfs/dbraw/zinc/68/63/06/1166686306.db2.gz UKKZMKLABBZKQJ-UHFFFAOYSA-N -1 1 300.330 0.466 20 0 DCADMM CC(C)n1cnnc1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001589785146 1166686307 /nfs/dbraw/zinc/68/63/07/1166686307.db2.gz UKKZMKLABBZKQJ-UHFFFAOYSA-N -1 1 300.330 0.466 20 0 DCADMM C[C@@H](C[C@H]1CCOC1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589804448 1166690214 /nfs/dbraw/zinc/69/02/14/1166690214.db2.gz ZMEGNLRSWVTIKT-VHSXEESVSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](C[C@H]1CCOC1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589804448 1166690217 /nfs/dbraw/zinc/69/02/17/1166690217.db2.gz ZMEGNLRSWVTIKT-VHSXEESVSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N1CCCCC1=O ZINC001589879017 1166706813 /nfs/dbraw/zinc/70/68/13/1166706813.db2.gz MIKRDGGYLZNUGI-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N1CCCCC1=O ZINC001589879017 1166706815 /nfs/dbraw/zinc/70/68/15/1166706815.db2.gz MIKRDGGYLZNUGI-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM C[C@@H](Cc1ccccn1)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589900773 1166713338 /nfs/dbraw/zinc/71/33/38/1166713338.db2.gz COGMMQOXCOYXRC-NSHDSACASA-N -1 1 323.360 0.947 20 0 DCADMM C[C@@H](Cc1ccccn1)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589900773 1166713342 /nfs/dbraw/zinc/71/33/42/1166713342.db2.gz COGMMQOXCOYXRC-NSHDSACASA-N -1 1 323.360 0.947 20 0 DCADMM C[C@H](NC(=O)C1CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589916653 1166719784 /nfs/dbraw/zinc/71/97/84/1166719784.db2.gz AJXOQCIZTACSOE-YUMQZZPRSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@H](NC(=O)C1CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589916653 1166719789 /nfs/dbraw/zinc/71/97/89/1166719789.db2.gz AJXOQCIZTACSOE-YUMQZZPRSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@H](NC(=O)Cn1cnnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001589927266 1166724556 /nfs/dbraw/zinc/72/45/56/1166724556.db2.gz GLHFITZRSMWMQP-QMMMGPOBSA-N -1 1 316.300 0.475 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccns1 ZINC001589939194 1166726338 /nfs/dbraw/zinc/72/63/38/1166726338.db2.gz QLHDPMFMDMLVII-LURJTMIESA-N -1 1 319.354 0.939 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccns1 ZINC001589939194 1166726344 /nfs/dbraw/zinc/72/63/44/1166726344.db2.gz QLHDPMFMDMLVII-LURJTMIESA-N -1 1 319.354 0.939 20 0 DCADMM C[C@](O)(CNC(=O)c1ccc(-c2nnn[n-]2)o1)C(F)(F)F ZINC001589988801 1166738178 /nfs/dbraw/zinc/73/81/78/1166738178.db2.gz QFSXIPWBGSLIBZ-VIFPVBQESA-N -1 1 305.216 0.503 20 0 DCADMM C[C@](O)(CNC(=O)c1ccc(-c2nn[n-]n2)o1)C(F)(F)F ZINC001589988801 1166738185 /nfs/dbraw/zinc/73/81/85/1166738185.db2.gz QFSXIPWBGSLIBZ-VIFPVBQESA-N -1 1 305.216 0.503 20 0 DCADMM C[C@H](O)CC(C)(C)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589996175 1166742676 /nfs/dbraw/zinc/74/26/76/1166742676.db2.gz QHVMAZGSNGARSZ-JTQLQIEISA-N -1 1 318.381 0.718 20 0 DCADMM C[C@H](O)CC(C)(C)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589996175 1166742684 /nfs/dbraw/zinc/74/26/84/1166742684.db2.gz QHVMAZGSNGARSZ-JTQLQIEISA-N -1 1 318.381 0.718 20 0 DCADMM C[C@@H](O)CN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@H](C)CO ZINC001590001538 1166748686 /nfs/dbraw/zinc/74/86/86/1166748686.db2.gz YEBVADVZZFRUBA-HTQZYQBOSA-N -1 1 311.367 0.132 20 0 DCADMM C[C@@H](O)c1ccc(NCCn2cnc(-c3nn[n-]n3)n2)nc1 ZINC001590003826 1166750488 /nfs/dbraw/zinc/75/04/88/1166750488.db2.gz QNFVWWYJVQKDHU-MRVPVSSYSA-N -1 1 301.314 0.019 20 0 DCADMM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1ncnn1C ZINC001590011619 1166752593 /nfs/dbraw/zinc/75/25/93/1166752593.db2.gz WLLUNYCAZWCUSW-SSDOTTSWSA-N -1 1 300.282 0.308 20 0 DCADMM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1ncnn1C ZINC001590011619 1166752598 /nfs/dbraw/zinc/75/25/98/1166752598.db2.gz WLLUNYCAZWCUSW-SSDOTTSWSA-N -1 1 300.282 0.308 20 0 DCADMM CC1(C)C[C@@H](O)CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590086226 1166770098 /nfs/dbraw/zinc/77/00/98/1166770098.db2.gz XTLKLMPHBGBRLE-LLVKDONJSA-N -1 1 316.365 0.424 20 0 DCADMM CC1(C)C[C@@H](O)CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590086226 1166770106 /nfs/dbraw/zinc/77/01/06/1166770106.db2.gz XTLKLMPHBGBRLE-LLVKDONJSA-N -1 1 316.365 0.424 20 0 DCADMM CC1(C)CCCC[C@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590096252 1166770199 /nfs/dbraw/zinc/77/01/99/1166770199.db2.gz YRRZVWDMGPTDNG-JTQLQIEISA-N -1 1 318.385 0.791 20 0 DCADMM C[C@H]1C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001590198542 1166809283 /nfs/dbraw/zinc/80/92/83/1166809283.db2.gz CUKTWLDAQZQUQP-YUMQZZPRSA-N -1 1 308.367 0.905 20 0 DCADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)O1 ZINC001590207173 1166812526 /nfs/dbraw/zinc/81/25/26/1166812526.db2.gz PTJPQVGLGJJMQU-XLDPMVHQSA-N -1 1 324.366 0.106 20 0 DCADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)O1 ZINC001590207173 1166812535 /nfs/dbraw/zinc/81/25/35/1166812535.db2.gz PTJPQVGLGJJMQU-XLDPMVHQSA-N -1 1 324.366 0.106 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001590214796 1166816124 /nfs/dbraw/zinc/81/61/24/1166816124.db2.gz CGDGRMKMGMWXLD-ZJUUUORDSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001590214796 1166816128 /nfs/dbraw/zinc/81/61/28/1166816128.db2.gz CGDGRMKMGMWXLD-ZJUUUORDSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590221510 1166817571 /nfs/dbraw/zinc/81/75/71/1166817571.db2.gz XWTSRPJKGJTZHN-APPZFPTMSA-N -1 1 300.322 0.929 20 0 DCADMM CC1CCC(NC(=O)COc2cnc(-c3nn[n-]n3)nc2)CC1 ZINC001590234481 1166824016 /nfs/dbraw/zinc/82/40/16/1166824016.db2.gz XMBJEOLQOLFOHJ-UHFFFAOYSA-N -1 1 317.353 0.730 20 0 DCADMM C[C@H]1CCC[N@H+](Cc2ccncc2-c2nn[n-]n2)[C@@H]1C(=O)[O-] ZINC001590260202 1166828484 /nfs/dbraw/zinc/82/84/84/1166828484.db2.gz FMYDZKHCAXBGHI-CABZTGNLSA-N -1 1 302.338 0.947 20 0 DCADMM C[C@H]1CCC[N@@H+](Cc2ccncc2-c2nn[n-]n2)[C@@H]1C(=O)[O-] ZINC001590260202 1166828491 /nfs/dbraw/zinc/82/84/91/1166828491.db2.gz FMYDZKHCAXBGHI-CABZTGNLSA-N -1 1 302.338 0.947 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCS1 ZINC001590266462 1166832941 /nfs/dbraw/zinc/83/29/41/1166832941.db2.gz BRVLOMWGCFXDDT-MRVPVSSYSA-N -1 1 322.398 0.960 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCS1 ZINC001590266462 1166832947 /nfs/dbraw/zinc/83/29/47/1166832947.db2.gz BRVLOMWGCFXDDT-MRVPVSSYSA-N -1 1 322.398 0.960 20 0 DCADMM C[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)CCS1(=O)=O ZINC001590273919 1166836270 /nfs/dbraw/zinc/83/62/70/1166836270.db2.gz BWAOEQLHRWFZAW-SECBINFHSA-N -1 1 308.367 0.275 20 0 DCADMM C[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)CCS1(=O)=O ZINC001590273919 1166836277 /nfs/dbraw/zinc/83/62/77/1166836277.db2.gz BWAOEQLHRWFZAW-SECBINFHSA-N -1 1 308.367 0.275 20 0 DCADMM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590277361 1166837639 /nfs/dbraw/zinc/83/76/39/1166837639.db2.gz HQZCXYRGQVQZOR-HZGVNTEJSA-N -1 1 306.351 0.183 20 0 DCADMM C[C@@H]1CCOCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590278015 1166838711 /nfs/dbraw/zinc/83/87/11/1166838711.db2.gz MXAZIHOCUFJQPK-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM C[C@@H]1CCOCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590278015 1166838714 /nfs/dbraw/zinc/83/87/14/1166838714.db2.gz MXAZIHOCUFJQPK-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM C[C@@H]1CCOCCN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590278972 1166840704 /nfs/dbraw/zinc/84/07/04/1166840704.db2.gz WSYKIEGQYCINRW-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H](C(F)(F)F)O1 ZINC001590316514 1166860456 /nfs/dbraw/zinc/86/04/56/1166860456.db2.gz SNQKAKAKXLFVEX-BQBZGAKWSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1OCC[C@]12CN(c1ncncc1-c1nn[n-]n1)C[C@@H](C)O2 ZINC001590319689 1166862959 /nfs/dbraw/zinc/86/29/59/1166862959.db2.gz FVOWACBAJSKSNJ-BFVZDQMLSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@@H](C(F)(F)F)O1 ZINC001590321297 1166863504 /nfs/dbraw/zinc/86/35/04/1166863504.db2.gz VBUMNNVFAXEWIB-XPUUQOCRSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590325280 1166865521 /nfs/dbraw/zinc/86/55/21/1166865521.db2.gz XBSMQJXAQVURPH-VXNVDRBHSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1COC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590325565 1166868184 /nfs/dbraw/zinc/86/81/84/1166868184.db2.gz QTZCELNJGHVUJS-CBAPKCEASA-N -1 1 308.367 0.762 20 0 DCADMM C/C=C(/C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590342514 1166876034 /nfs/dbraw/zinc/87/60/34/1166876034.db2.gz HLURFSORLUSXHI-HYHWUIIZSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(/C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590342514 1166876036 /nfs/dbraw/zinc/87/60/36/1166876036.db2.gz HLURFSORLUSXHI-HYHWUIIZSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590347319 1166879541 /nfs/dbraw/zinc/87/95/41/1166879541.db2.gz OSNYZVAFROVOHU-RZCNENHTSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(\C)C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590350415 1166879718 /nfs/dbraw/zinc/87/97/18/1166879718.db2.gz RLKGJGZYKBMASH-VGANXODHSA-N -1 1 302.342 0.540 20 0 DCADMM C/C=C(\C)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590350415 1166879722 /nfs/dbraw/zinc/87/97/22/1166879722.db2.gz RLKGJGZYKBMASH-VGANXODHSA-N -1 1 302.342 0.540 20 0 DCADMM C/C=C(/C)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590346193 1166880160 /nfs/dbraw/zinc/88/01/60/1166880160.db2.gz LJWYEAQHRXKYJX-OQFOIZHKSA-N -1 1 314.353 0.684 20 0 DCADMM C/C=C(/C)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590346193 1166880165 /nfs/dbraw/zinc/88/01/65/1166880165.db2.gz LJWYEAQHRXKYJX-OQFOIZHKSA-N -1 1 314.353 0.684 20 0 DCADMM C/C=C\C[C@H](CO)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001590351863 1166882458 /nfs/dbraw/zinc/88/24/58/1166882458.db2.gz IKHRCKDBCFGNIK-ZBJFTSOASA-N -1 1 318.337 0.333 20 0 DCADMM CCC(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001590360131 1166883695 /nfs/dbraw/zinc/88/36/95/1166883695.db2.gz RJITYMLYTKJZRG-VHSXEESVSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001590360131 1166883703 /nfs/dbraw/zinc/88/37/03/1166883703.db2.gz RJITYMLYTKJZRG-VHSXEESVSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001590360744 1166884536 /nfs/dbraw/zinc/88/45/36/1166884536.db2.gz IYQXELPWZVFTPX-SECBINFHSA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001590360744 1166884537 /nfs/dbraw/zinc/88/45/37/1166884537.db2.gz IYQXELPWZVFTPX-SECBINFHSA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001590364210 1166887642 /nfs/dbraw/zinc/88/76/42/1166887642.db2.gz KFGXDMIODSWBPI-SECBINFHSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001590364210 1166887645 /nfs/dbraw/zinc/88/76/45/1166887645.db2.gz KFGXDMIODSWBPI-SECBINFHSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(C)(C)[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001590373191 1166892098 /nfs/dbraw/zinc/89/20/98/1166892098.db2.gz KFRNUNOEMGOYKG-SSDOTTSWSA-N -1 1 307.358 0.903 20 0 DCADMM CC[C@@](C)(CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1)OC ZINC001590382085 1166895433 /nfs/dbraw/zinc/89/54/33/1166895433.db2.gz OZETVOSTYPAKLU-AWEZNQCLSA-N -1 1 304.354 0.736 20 0 DCADMM CC[C@@](C)(CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1)OC ZINC001590382085 1166895437 /nfs/dbraw/zinc/89/54/37/1166895437.db2.gz OZETVOSTYPAKLU-AWEZNQCLSA-N -1 1 304.354 0.736 20 0 DCADMM CC/C(C)=C/C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001590389021 1166895563 /nfs/dbraw/zinc/89/55/63/1166895563.db2.gz NLMRGXKECKBKQQ-NAZIUFLLSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C(C)=C/C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001590389021 1166895568 /nfs/dbraw/zinc/89/55/68/1166895568.db2.gz NLMRGXKECKBKQQ-NAZIUFLLSA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@H](CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001590442499 1166904471 /nfs/dbraw/zinc/90/44/71/1166904471.db2.gz UKJJBRURIMSQKV-SNVBAGLBSA-N -1 1 318.337 0.120 20 0 DCADMM CC[C@H](CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC001590442499 1166904476 /nfs/dbraw/zinc/90/44/76/1166904476.db2.gz UKJJBRURIMSQKV-SNVBAGLBSA-N -1 1 318.337 0.120 20 0 DCADMM CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001590454794 1166911179 /nfs/dbraw/zinc/91/11/79/1166911179.db2.gz DLAISLRODMJRFU-SECBINFHSA-N -1 1 315.337 0.505 20 0 DCADMM CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001590454794 1166911182 /nfs/dbraw/zinc/91/11/82/1166911182.db2.gz DLAISLRODMJRFU-SECBINFHSA-N -1 1 315.337 0.505 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590451268 1166911269 /nfs/dbraw/zinc/91/12/69/1166911269.db2.gz CEJKOHTVGHQEGY-MRVPVSSYSA-N -1 1 308.321 0.275 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590451268 1166911273 /nfs/dbraw/zinc/91/12/73/1166911273.db2.gz CEJKOHTVGHQEGY-MRVPVSSYSA-N -1 1 308.321 0.275 20 0 DCADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](O)C(F)F ZINC001590460419 1166916254 /nfs/dbraw/zinc/91/62/54/1166916254.db2.gz WLCSRSMCAHXHEH-VXNVDRBHSA-N -1 1 312.280 0.396 20 0 DCADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](O)C(F)F ZINC001590460419 1166916257 /nfs/dbraw/zinc/91/62/57/1166916257.db2.gz WLCSRSMCAHXHEH-VXNVDRBHSA-N -1 1 312.280 0.396 20 0 DCADMM CCC(O)(CC)CCNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590474452 1166918996 /nfs/dbraw/zinc/91/89/96/1166918996.db2.gz JBRKTYWPCMTTHY-SECBINFHSA-N -1 1 322.373 0.077 20 0 DCADMM CC[C@H]1CCCC[C@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590511360 1166928402 /nfs/dbraw/zinc/92/84/02/1166928402.db2.gz KKWVBVLGESSMIT-WDEREUQCSA-N -1 1 318.385 0.791 20 0 DCADMM CC[C@@H]1C[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001590504936 1166928756 /nfs/dbraw/zinc/92/87/56/1166928756.db2.gz MLIZVXVXFHTLQI-NXEZZACHSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@@H]1C[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001590504936 1166928761 /nfs/dbraw/zinc/92/87/61/1166928761.db2.gz MLIZVXVXFHTLQI-NXEZZACHSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@H]1CO[C@@H](C)CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590524741 1166934996 /nfs/dbraw/zinc/93/49/96/1166934996.db2.gz RZTAJSZAISFDLH-UWVGGRQHSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@H]1CO[C@@H](C)CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590524741 1166934997 /nfs/dbraw/zinc/93/49/97/1166934997.db2.gz RZTAJSZAISFDLH-UWVGGRQHSA-N -1 1 302.338 0.901 20 0 DCADMM CCCC(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001590530554 1166936354 /nfs/dbraw/zinc/93/63/54/1166936354.db2.gz DDWCMYXCFRSAQU-VIFPVBQESA-N -1 1 304.358 0.716 20 0 DCADMM CCCC(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001590530554 1166936358 /nfs/dbraw/zinc/93/63/58/1166936358.db2.gz DDWCMYXCFRSAQU-VIFPVBQESA-N -1 1 304.358 0.716 20 0 DCADMM CCCC(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590534549 1166936391 /nfs/dbraw/zinc/93/63/91/1166936391.db2.gz YYXVFBHYSDYZEJ-VIFPVBQESA-N -1 1 304.358 0.716 20 0 DCADMM CCCC(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590534549 1166936396 /nfs/dbraw/zinc/93/63/96/1166936396.db2.gz YYXVFBHYSDYZEJ-VIFPVBQESA-N -1 1 304.358 0.716 20 0 DCADMM CC[C@@H]1COCCN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590526725 1166937183 /nfs/dbraw/zinc/93/71/83/1166937183.db2.gz SAWDIMVRGBJNDV-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM CCC[C@H](CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)OCC ZINC001590557453 1166942826 /nfs/dbraw/zinc/94/28/26/1166942826.db2.gz OZJLJOJIGPKBHN-NXEZZACHSA-N -1 1 322.373 0.341 20 0 DCADMM CCC[C@@H](C)S(=O)(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590552956 1166942921 /nfs/dbraw/zinc/94/29/21/1166942921.db2.gz JFIYMDYRXNGXBZ-SSDOTTSWSA-N -1 1 316.412 0.931 20 0 DCADMM CCC[C@@H](C)S(=O)(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590552956 1166942926 /nfs/dbraw/zinc/94/29/26/1166942926.db2.gz JFIYMDYRXNGXBZ-SSDOTTSWSA-N -1 1 316.412 0.931 20 0 DCADMM CCC[C@H](O)[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590559451 1166944028 /nfs/dbraw/zinc/94/40/28/1166944028.db2.gz GRKYNLPDDSNXHX-RITPCOANSA-N -1 1 318.790 0.910 20 0 DCADMM CCC[C@H](O)[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590559451 1166944034 /nfs/dbraw/zinc/94/40/34/1166944034.db2.gz GRKYNLPDDSNXHX-RITPCOANSA-N -1 1 318.790 0.910 20 0 DCADMM CCC[C@@]1(C)C(=O)NCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001590563742 1166944348 /nfs/dbraw/zinc/94/43/48/1166944348.db2.gz KYTHAAOXFNPKKK-AWEZNQCLSA-N -1 1 304.354 0.950 20 0 DCADMM CCC[C@@]1(C)C(=O)NCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001590563742 1166944353 /nfs/dbraw/zinc/94/43/53/1166944353.db2.gz KYTHAAOXFNPKKK-AWEZNQCLSA-N -1 1 304.354 0.950 20 0 DCADMM CCC[C@@H](O)CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590561370 1166944498 /nfs/dbraw/zinc/94/44/98/1166944498.db2.gz YECLUZCDEVIENL-SECBINFHSA-N -1 1 305.342 0.934 20 0 DCADMM CCC[C@@H](O)CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590561370 1166944499 /nfs/dbraw/zinc/94/44/99/1166944499.db2.gz 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/nfs/dbraw/zinc/95/11/67/1166951167.db2.gz HRKHECWBSJTAAY-UHFFFAOYSA-N -1 1 317.275 0.864 20 0 DCADMM CCCN(CC(=O)OCC)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590621616 1166952209 /nfs/dbraw/zinc/95/22/09/1166952209.db2.gz NJHDEJVHCYVIFF-UHFFFAOYSA-N -1 1 307.310 0.875 20 0 DCADMM CCCN(CC(=O)OCC)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590621616 1166952213 /nfs/dbraw/zinc/95/22/13/1166952213.db2.gz NJHDEJVHCYVIFF-UHFFFAOYSA-N -1 1 307.310 0.875 20 0 DCADMM CCCNC(=O)[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590636317 1166957538 /nfs/dbraw/zinc/95/75/38/1166957538.db2.gz FWJAKGSOPHBYQE-QMMMGPOBSA-N -1 1 304.310 0.333 20 0 DCADMM CCCNC(=O)[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590636317 1166957542 /nfs/dbraw/zinc/95/75/42/1166957542.db2.gz FWJAKGSOPHBYQE-QMMMGPOBSA-N -1 1 304.310 0.333 20 0 DCADMM CCN(C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)[C@@H](C)CO ZINC001590672514 1166964728 /nfs/dbraw/zinc/96/47/28/1166964728.db2.gz XKMMGZNYHIBFLA-QMMMGPOBSA-N -1 1 321.341 0.505 20 0 DCADMM CCN([C@@H]1CCOC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590679967 1166967959 /nfs/dbraw/zinc/96/79/59/1166967959.db2.gz RDFYIJKLXISOSI-MRVPVSSYSA-N -1 1 313.339 0.259 20 0 DCADMM CCN(CC(F)F)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001590683371 1166971169 /nfs/dbraw/zinc/97/11/69/1166971169.db2.gz QZMJASLNVFSFNU-UHFFFAOYSA-N -1 1 300.269 0.819 20 0 DCADMM CCN(CC(F)F)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001590683371 1166971173 /nfs/dbraw/zinc/97/11/73/1166971173.db2.gz QZMJASLNVFSFNU-UHFFFAOYSA-N -1 1 300.269 0.819 20 0 DCADMM CCN(CC)C(=O)CCCNc1ncncc1-c1nn[n-]n1 ZINC001590681189 1166972302 /nfs/dbraw/zinc/97/23/02/1166972302.db2.gz ASBRWHIOBVJXJX-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCN(c1nnc(-c2cnc(-c3nnn[n-]3)cn2)n1C)C(C)C ZINC001590725715 1166983841 /nfs/dbraw/zinc/98/38/41/1166983841.db2.gz KPQBYBSUAVZVSG-UHFFFAOYSA-N -1 1 314.357 0.687 20 0 DCADMM CCN(c1nnc(-c2cnc(-c3nn[n-]n3)cn2)n1C)C(C)C ZINC001590725715 1166983842 /nfs/dbraw/zinc/98/38/42/1166983842.db2.gz KPQBYBSUAVZVSG-UHFFFAOYSA-N -1 1 314.357 0.687 20 0 DCADMM CCN1CCC[C@@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C1=O ZINC001590732209 1166989915 /nfs/dbraw/zinc/98/99/15/1166989915.db2.gz FRRHRYCJIIEDJR-SECBINFHSA-N -1 1 320.378 0.669 20 0 DCADMM CCNC(=O)C[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590740783 1166997754 /nfs/dbraw/zinc/99/77/54/1166997754.db2.gz PCUWLYUDHYCKET-QMMMGPOBSA-N -1 1 304.310 0.333 20 0 DCADMM CCNC(=O)C[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590740783 1166997756 /nfs/dbraw/zinc/99/77/56/1166997756.db2.gz PCUWLYUDHYCKET-QMMMGPOBSA-N -1 1 304.310 0.333 20 0 DCADMM CCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC001590742122 1166999874 /nfs/dbraw/zinc/99/98/74/1166999874.db2.gz CCVWYVZCRCEJDV-UHFFFAOYSA-N -1 1 313.321 0.021 20 0 DCADMM CCOC1CC2(C[C@H]2NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590796513 1167023347 /nfs/dbraw/zinc/02/33/47/1167023347.db2.gz WSTGVBTUMFQEQF-WBFHCKIUSA-N -1 1 314.349 0.949 20 0 DCADMM CCOC1CC2(C[C@H]2NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590796513 1167023353 /nfs/dbraw/zinc/02/33/53/1167023353.db2.gz WSTGVBTUMFQEQF-WBFHCKIUSA-N -1 1 314.349 0.949 20 0 DCADMM CCO/C=C\C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590797593 1167023513 /nfs/dbraw/zinc/02/35/13/1167023513.db2.gz XIHJTCUGYBZJGH-VURMDHGXSA-N -1 1 320.357 0.113 20 0 DCADMM CCO/C=C\C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590797593 1167023519 /nfs/dbraw/zinc/02/35/19/1167023519.db2.gz XIHJTCUGYBZJGH-VURMDHGXSA-N -1 1 320.357 0.113 20 0 DCADMM CCOc1ccccc1OCCn1cc(-c2nn[n-]n2)nn1 ZINC001590844706 1167035700 /nfs/dbraw/zinc/03/57/00/1167035700.db2.gz LCAOXXJDKASGAN-UHFFFAOYSA-N -1 1 301.310 0.936 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCN(C)C(C)=O)n1 ZINC001590904167 1167046466 /nfs/dbraw/zinc/04/64/66/1167046466.db2.gz UVYRTGNJCMFYCX-UHFFFAOYSA-N -1 1 304.358 0.134 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCN(C)C(C)=O)n1 ZINC001590904167 1167046473 /nfs/dbraw/zinc/04/64/73/1167046473.db2.gz UVYRTGNJCMFYCX-UHFFFAOYSA-N -1 1 304.358 0.134 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCOC[C@H]2COC)n1 ZINC001590908348 1167049153 /nfs/dbraw/zinc/04/91/53/1167049153.db2.gz PEGJMHZYOJPNPA-SECBINFHSA-N -1 1 305.342 0.071 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCOC[C@H]2COC)n1 ZINC001590908348 1167049157 /nfs/dbraw/zinc/04/91/57/1167049157.db2.gz PEGJMHZYOJPNPA-SECBINFHSA-N -1 1 305.342 0.071 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3[C@H](O)CC[C@@H]3C2)n1 ZINC001590909400 1167050258 /nfs/dbraw/zinc/05/02/58/1167050258.db2.gz YNXRWKOPWLONOP-WCABBAIRSA-N -1 1 301.354 0.426 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3[C@H](O)CC[C@@H]3C2)n1 ZINC001590909400 1167050261 /nfs/dbraw/zinc/05/02/61/1167050261.db2.gz YNXRWKOPWLONOP-WCABBAIRSA-N -1 1 301.354 0.426 20 0 DCADMM CCc1nnsc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590933954 1167054746 /nfs/dbraw/zinc/05/47/46/1167054746.db2.gz KSOAOFJBURRNAH-UHFFFAOYSA-N -1 1 316.350 0.952 20 0 DCADMM CCc1nnsc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590933954 1167054751 /nfs/dbraw/zinc/05/47/51/1167054751.db2.gz 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1167173257 /nfs/dbraw/zinc/17/32/57/1167173257.db2.gz SJKDGNRRZRWMPB-UHFFFAOYSA-N -1 1 307.335 0.563 20 0 DCADMM COC(=O)C1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001591244430 1167173261 /nfs/dbraw/zinc/17/32/61/1167173261.db2.gz SJKDGNRRZRWMPB-UHFFFAOYSA-N -1 1 307.335 0.563 20 0 DCADMM COC(=O)C1=CC[C@@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001591246785 1167174050 /nfs/dbraw/zinc/17/40/50/1167174050.db2.gz JGRYWKSNEBWZHL-SECBINFHSA-N -1 1 319.346 0.920 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001591250687 1167175983 /nfs/dbraw/zinc/17/59/83/1167175983.db2.gz SKYXDUHEQLBJAL-PTRXPTGYSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001591250687 1167175986 /nfs/dbraw/zinc/17/59/86/1167175986.db2.gz SKYXDUHEQLBJAL-PTRXPTGYSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@H]1CCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591252771 1167178048 /nfs/dbraw/zinc/17/80/48/1167178048.db2.gz NJAJWOZUDRBKLS-SECBINFHSA-N -1 1 323.259 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1167258286 /nfs/dbraw/zinc/25/82/86/1167258286.db2.gz ZSYVSMQKMUHULB-ZDUSSCGKSA-N -1 1 308.294 0.556 20 0 DCADMM COC[C@@]1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCOC1 ZINC001591387602 1167258293 /nfs/dbraw/zinc/25/82/93/1167258293.db2.gz ZSYVSMQKMUHULB-ZDUSSCGKSA-N -1 1 308.294 0.556 20 0 DCADMM COC[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001591396498 1167267569 /nfs/dbraw/zinc/26/75/69/1167267569.db2.gz YJVKXEYAUOTRRI-ONGXEEELSA-N -1 1 318.337 0.138 20 0 DCADMM COC[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001591396498 1167267578 /nfs/dbraw/zinc/26/75/78/1167267578.db2.gz YJVKXEYAUOTRRI-ONGXEEELSA-N -1 1 318.337 0.138 20 0 DCADMM COCC[C@@H](COC)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591399493 1167269966 /nfs/dbraw/zinc/26/99/66/1167269966.db2.gz TZBFREMTZUDFJO-JTQLQIEISA-N -1 1 306.326 0.043 20 0 DCADMM COCC[C@@H](COC)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591399493 1167269971 /nfs/dbraw/zinc/26/99/71/1167269971.db2.gz TZBFREMTZUDFJO-JTQLQIEISA-N -1 1 306.326 0.043 20 0 DCADMM 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GYXQVANZJSZLQK-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1ccccc1[C@@H](O)CNc1ncncc1-c1nn[n-]n1 ZINC001591648481 1167341468 /nfs/dbraw/zinc/34/14/68/1167341468.db2.gz CZDZEWZIVWXSQY-NSHDSACASA-N -1 1 313.321 0.811 20 0 DCADMM COc1cccc([C@@H](O)CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001591637594 1167341978 /nfs/dbraw/zinc/34/19/78/1167341978.db2.gz QIISYVBJGBGGCB-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM COc1cccc([C@@H](O)CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001591637594 1167341993 /nfs/dbraw/zinc/34/19/93/1167341993.db2.gz QIISYVBJGBGGCB-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ncc(NC(=O)N[C@H]2CC23CC3)cc1-c1nn[n-]n1 ZINC001591664102 1167343629 /nfs/dbraw/zinc/34/36/29/1167343629.db2.gz IFXPOBXEXCDSFJ-VIFPVBQESA-N -1 1 301.310 0.944 20 0 DCADMM COc1nn(C)cc1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591670572 1167346080 /nfs/dbraw/zinc/34/60/80/1167346080.db2.gz WKFZRNFRYTVSMU-UHFFFAOYSA-N -1 1 303.282 0.763 20 0 DCADMM COc1nn(C)cc1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591670572 1167346084 /nfs/dbraw/zinc/34/60/84/1167346084.db2.gz WKFZRNFRYTVSMU-UHFFFAOYSA-N -1 1 303.282 0.763 20 0 DCADMM COc1ncc(NC(=O)Cc2cccnc2)cc1-c1nn[n-]n1 ZINC001591665100 1167346118 /nfs/dbraw/zinc/34/61/18/1167346118.db2.gz XVQHLQRVSVXDRS-UHFFFAOYSA-N -1 1 311.305 0.847 20 0 DCADMM COc1ncc(NC(=O)NCC2(C)COC2)cc1-c1nn[n-]n1 ZINC001591664862 1167346842 /nfs/dbraw/zinc/34/68/42/1167346842.db2.gz RSQFCBQRWUXJBA-UHFFFAOYSA-N -1 1 319.325 0.428 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N2CCCO2)cc1-c1nn[n-]n1 ZINC001591703686 1167357695 /nfs/dbraw/zinc/35/76/95/1167357695.db2.gz KXOVQWNXIFCGJN-UHFFFAOYSA-N -1 1 308.323 0.467 20 0 DCADMM CSCC[C@@H]1NC(=O)N(Cc2ccc(-c3nnn[n-]3)o2)C1=O ZINC001591698948 1167359597 /nfs/dbraw/zinc/35/95/97/1167359597.db2.gz DMMOFHJEJHZQKT-QMMMGPOBSA-N -1 1 322.350 0.633 20 0 DCADMM CSCC[C@@H]1NC(=O)N(Cc2ccc(-c3nn[n-]n3)o2)C1=O ZINC001591698948 1167359604 /nfs/dbraw/zinc/35/96/04/1167359604.db2.gz DMMOFHJEJHZQKT-QMMMGPOBSA-N -1 1 322.350 0.633 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N2CCCCO2)cc1-c1nn[n-]n1 ZINC001591704748 1167359925 /nfs/dbraw/zinc/35/99/25/1167359925.db2.gz WFHPIWASJADLBF-UHFFFAOYSA-N -1 1 322.350 0.857 20 0 DCADMM C[C@@H]1C[C@H](C)CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001591733506 1167362778 /nfs/dbraw/zinc/36/27/78/1167362778.db2.gz QGSITIUBCRXDBE-NXEZZACHSA-N -1 1 304.358 0.353 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)F ZINC001591765873 1167369459 /nfs/dbraw/zinc/36/94/59/1167369459.db2.gz XWPHAFIHBFUJAR-SSDOTTSWSA-N -1 1 308.321 0.321 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)F ZINC001591765873 1167369461 /nfs/dbraw/zinc/36/94/61/1167369461.db2.gz XWPHAFIHBFUJAR-SSDOTTSWSA-N -1 1 308.321 0.321 20 0 DCADMM C[C@H]1c2ccccc2C[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001591775464 1167374754 /nfs/dbraw/zinc/37/47/54/1167374754.db2.gz BTQUMLHRHSVZRD-JOYOIKCWSA-N -1 1 324.348 0.303 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(CCCC(C)(C)C)c(=O)n1C ZINC001591793962 1167380434 /nfs/dbraw/zinc/38/04/34/1167380434.db2.gz QXDORJKIHACEPH-UHFFFAOYSA-N -1 1 306.370 0.862 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(CCSC(C)(C)C)c(=O)n1C ZINC001591794098 1167380630 /nfs/dbraw/zinc/38/06/30/1167380630.db2.gz YMOAJSPNJTYTAW-UHFFFAOYSA-N -1 1 324.410 0.567 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(CCC(C)(C)C2CC2)c(=O)n1C ZINC001591793542 1167380821 /nfs/dbraw/zinc/38/08/21/1167380821.db2.gz AQYOBVMORAUZBZ-UHFFFAOYSA-N -1 1 318.381 0.862 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCF ZINC001591787176 1167381243 /nfs/dbraw/zinc/38/12/43/1167381243.db2.gz NEJXVFUQKKLZEN-UHFFFAOYSA-N -1 1 308.317 0.602 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(COC(=O)N2CCCC2)c1 ZINC001591836638 1167390810 /nfs/dbraw/zinc/39/08/10/1167390810.db2.gz FIAJACHMJFIQNI-UHFFFAOYSA-N -1 1 304.310 0.527 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCc3nnn(C)c3C2)n1 ZINC001591893603 1167412581 /nfs/dbraw/zinc/41/25/81/1167412581.db2.gz KOBMSKKQOPXBML-MRVPVSSYSA-N -1 1 312.341 0.063 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCc3nnn(C)c3C2)n1 ZINC001591893603 1167412583 /nfs/dbraw/zinc/41/25/83/1167412583.db2.gz KOBMSKKQOPXBML-MRVPVSSYSA-N -1 1 312.341 0.063 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](CO)Cc2ccco2)n1 ZINC001591894526 1167413258 /nfs/dbraw/zinc/41/32/58/1167413258.db2.gz KGQPXJYEBGCBGQ-SNVBAGLBSA-N -1 1 315.337 0.821 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](CO)Cc2ccco2)n1 ZINC001591894526 1167413264 /nfs/dbraw/zinc/41/32/64/1167413264.db2.gz KGQPXJYEBGCBGQ-SNVBAGLBSA-N -1 1 315.337 0.821 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCOc2ncccc2F)n1 ZINC001591899391 1167414011 /nfs/dbraw/zinc/41/40/11/1167414011.db2.gz KLRICLGJVIDTCV-UHFFFAOYSA-N -1 1 316.300 0.990 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCOc2ncccc2F)n1 ZINC001591899391 1167414014 /nfs/dbraw/zinc/41/40/14/1167414014.db2.gz KLRICLGJVIDTCV-UHFFFAOYSA-N -1 1 316.300 0.990 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2cn(C3CCC3)nn2)n1 ZINC001591900839 1167415723 /nfs/dbraw/zinc/41/57/23/1167415723.db2.gz FFCBEKJBBKYRLX-UHFFFAOYSA-N -1 1 312.341 0.894 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2cn(C3CCC3)nn2)n1 ZINC001591900839 1167415727 /nfs/dbraw/zinc/41/57/27/1167415727.db2.gz FFCBEKJBBKYRLX-UHFFFAOYSA-N -1 1 312.341 0.894 20 0 DCADMM Cc1cc(C)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(=O)[nH]1 ZINC001591946871 1167424024 /nfs/dbraw/zinc/42/40/24/1167424024.db2.gz CFCNRSSNCJIVQA-UHFFFAOYSA-N -1 1 300.282 0.051 20 0 DCADMM Cc1cc(N(C)C[C@H]2CCS(=O)(=O)C2)cc(-c2nnn[n-]2)n1 ZINC001591996085 1167431082 /nfs/dbraw/zinc/43/10/82/1167431082.db2.gz WLVIVMOJWNCUBH-SNVBAGLBSA-N -1 1 322.394 0.441 20 0 DCADMM Cc1cc(N(C)C[C@H]2CCS(=O)(=O)C2)cc(-c2nn[n-]n2)n1 ZINC001591996085 1167431087 /nfs/dbraw/zinc/43/10/87/1167431087.db2.gz WLVIVMOJWNCUBH-SNVBAGLBSA-N -1 1 322.394 0.441 20 0 DCADMM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cn(C)c1=O ZINC001592030999 1167439019 /nfs/dbraw/zinc/43/90/19/1167439019.db2.gz HFQMBPODTOEIAN-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cn(C)c1=O ZINC001592030999 1167439023 /nfs/dbraw/zinc/43/90/23/1167439023.db2.gz HFQMBPODTOEIAN-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM Cc1cc(NC[C@H](CO)[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592042087 1167445070 /nfs/dbraw/zinc/44/50/70/1167445070.db2.gz XAPUSDSXRMPONO-GHMZBOCLSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(NC[C@H](CO)[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592042087 1167445073 /nfs/dbraw/zinc/44/50/73/1167445073.db2.gz XAPUSDSXRMPONO-GHMZBOCLSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(NCc2nnnn2CC2CC2)nc(-c2nnn[n-]2)c1 ZINC001592053857 1167446805 /nfs/dbraw/zinc/44/68/05/1167446805.db2.gz WUBJIXQBZNGUKY-UHFFFAOYSA-N -1 1 312.341 0.579 20 0 DCADMM Cc1cc(NCc2nnnn2CC2CC2)nc(-c2nn[n-]n2)c1 ZINC001592053857 1167446809 /nfs/dbraw/zinc/44/68/09/1167446809.db2.gz WUBJIXQBZNGUKY-UHFFFAOYSA-N -1 1 312.341 0.579 20 0 DCADMM Cc1cc[nH]c1C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001592073016 1167449006 /nfs/dbraw/zinc/44/90/06/1167449006.db2.gz HSRNRWJHQYJDLH-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1cc[nH]c1C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001592073016 1167449010 /nfs/dbraw/zinc/44/90/10/1167449010.db2.gz HSRNRWJHQYJDLH-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1cc2c(cc1C)N(C(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC001592071388 1167449347 /nfs/dbraw/zinc/44/93/47/1167449347.db2.gz WEQGHKGERZDOHW-UHFFFAOYSA-N -1 1 324.348 0.664 20 0 DCADMM Cc1ccc(CCNC(=O)c2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001592151992 1167462541 /nfs/dbraw/zinc/46/25/41/1167462541.db2.gz MPVDMYLWJHKOPC-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1ccc(CCNC(=O)c2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001592151992 1167462547 /nfs/dbraw/zinc/46/25/47/1167462547.db2.gz MPVDMYLWJHKOPC-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001592166702 1167467707 /nfs/dbraw/zinc/46/77/07/1167467707.db2.gz WIBFJWLLUDNTEL-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1ccc(N2CCN([S@](C)(=N)=O)CC2)c(-c2nnn[n-]2)n1 ZINC001592175231 1167467715 /nfs/dbraw/zinc/46/77/15/1167467715.db2.gz ITXKBERUBYJGET-QFIPXVFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1ccc(N2CCN([S@](C)(=N)=O)CC2)c(-c2nn[n-]n2)n1 ZINC001592175231 1167467717 /nfs/dbraw/zinc/46/77/17/1167467717.db2.gz ITXKBERUBYJGET-QFIPXVFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1ccc(NC[C@H]2CN(C3CC3)C(=O)O2)nc1-c1nnn[n-]1 ZINC001592183343 1167471721 /nfs/dbraw/zinc/47/17/21/1167471721.db2.gz QJBMXQQVCFVVRK-JTQLQIEISA-N -1 1 315.337 0.965 20 0 DCADMM Cc1ccc(NC[C@H]2CN(C3CC3)C(=O)O2)nc1-c1nn[n-]n1 ZINC001592183343 1167471727 /nfs/dbraw/zinc/47/17/27/1167471727.db2.gz QJBMXQQVCFVVRK-JTQLQIEISA-N -1 1 315.337 0.965 20 0 DCADMM Cc1cccc(O)c1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592236691 1167479210 /nfs/dbraw/zinc/47/92/10/1167479210.db2.gz MSTILHKKTNJEAI-QMMMGPOBSA-N -1 1 314.309 0.672 20 0 DCADMM Cc1ccn2cc(C(=O)Nc3c[nH]nc3-c3nn[n-]n3)nc2c1 ZINC001592265684 1167479798 /nfs/dbraw/zinc/47/97/98/1167479798.db2.gz HYGGUZMVSGNFHU-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1ccn(Cc2noc3c2COCC3)c(=O)c1-c1nn[n-]n1 ZINC001592265895 1167479827 /nfs/dbraw/zinc/47/98/27/1167479827.db2.gz OJVFMIOEUITDET-UHFFFAOYSA-N -1 1 314.305 0.446 20 0 DCADMM Cc1ccn(CN2CC[C@@H](C)[C@@H](F)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266959 1167480269 /nfs/dbraw/zinc/48/02/69/1167480269.db2.gz KQGXJLNRAZVOFH-KOLCDFICSA-N -1 1 306.345 0.974 20 0 DCADMM Cc1ccn(CN2CCCOC[C@@H]2C)c(=O)c1-c1nn[n-]n1 ZINC001592266485 1167480783 /nfs/dbraw/zinc/48/07/83/1167480783.db2.gz CYXBEYBYSXBNNP-NSHDSACASA-N -1 1 304.354 0.405 20 0 DCADMM Cc1ccn(CN2CC[C@H](C)[C@H](F)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266958 1167480859 /nfs/dbraw/zinc/48/08/59/1167480859.db2.gz KQGXJLNRAZVOFH-GXSJLCMTSA-N -1 1 306.345 0.974 20 0 DCADMM Cc1ccnc(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592271463 1167482486 /nfs/dbraw/zinc/48/24/86/1167482486.db2.gz FTAPPHQPJOIJDH-VIFPVBQESA-N -1 1 313.325 0.039 20 0 DCADMM Cc1cnc(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001592294222 1167485330 /nfs/dbraw/zinc/48/53/30/1167485330.db2.gz YXLMZSYPRSXBLB-UHFFFAOYSA-N -1 1 311.305 0.646 20 0 DCADMM Cc1cnc(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001592294222 1167485337 /nfs/dbraw/zinc/48/53/37/1167485337.db2.gz YXLMZSYPRSXBLB-UHFFFAOYSA-N -1 1 311.305 0.646 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC3(CCOC3)CC2)n1 ZINC001592337553 1167494265 /nfs/dbraw/zinc/49/42/65/1167494265.db2.gz KJHLPGOOOSRLDB-UHFFFAOYSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC3(CCOC3)CC2)n1 ZINC001592337553 1167494269 /nfs/dbraw/zinc/49/42/69/1167494269.db2.gz KJHLPGOOOSRLDB-UHFFFAOYSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1nc(N[C@H](C)[C@@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592378193 1167509112 /nfs/dbraw/zinc/50/91/12/1167509112.db2.gz FKPRKTWEWMJPCR-SPGJFGJESA-N -1 1 303.248 0.689 20 0 DCADMM Cc1nc(N[C@H](C)[C@@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592378193 1167509117 /nfs/dbraw/zinc/50/91/17/1167509117.db2.gz FKPRKTWEWMJPCR-SPGJFGJESA-N -1 1 303.248 0.689 20 0 DCADMM Cc1nc(NC[C@H](O)Cc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001592392387 1167513493 /nfs/dbraw/zinc/51/34/93/1167513493.db2.gz DPUDNLXPWLOVGM-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1nc(NC[C@H](O)Cc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001592392387 1167513497 /nfs/dbraw/zinc/51/34/97/1167513497.db2.gz DPUDNLXPWLOVGM-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ncc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592411364 1167515590 /nfs/dbraw/zinc/51/55/90/1167515590.db2.gz MMMQMYBCXSHHFN-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1ncc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592411364 1167515597 /nfs/dbraw/zinc/51/55/97/1167515597.db2.gz MMMQMYBCXSHHFN-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1nn(C)c(Cl)c1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592431442 1167520040 /nfs/dbraw/zinc/52/00/40/1167520040.db2.gz XGPJMBFPLPTZDR-UHFFFAOYSA-N -1 1 307.705 0.029 20 0 DCADMM Cc1nn(C)cc1[C@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592434931 1167520977 /nfs/dbraw/zinc/52/09/77/1167520977.db2.gz LCJFEHYDHJQASO-QMMMGPOBSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1nn(C)cc1[C@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592434931 1167520982 /nfs/dbraw/zinc/52/09/82/1167520982.db2.gz LCJFEHYDHJQASO-QMMMGPOBSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1nn(C)c(C)c1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592428054 1167521128 /nfs/dbraw/zinc/52/11/28/1167521128.db2.gz DXMMNIHQXXGPLD-UHFFFAOYSA-N -1 1 313.321 0.969 20 0 DCADMM Cc1nn(C)c(C)c1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592428054 1167521132 /nfs/dbraw/zinc/52/11/32/1167521132.db2.gz DXMMNIHQXXGPLD-UHFFFAOYSA-N -1 1 313.321 0.969 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)c1-c1nnn[n-]1 ZINC001592442202 1167525491 /nfs/dbraw/zinc/52/54/91/1167525491.db2.gz JAGCTXAEWJGZAI-NBEYISGCSA-N -1 1 305.342 0.661 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)c1-c1nn[n-]n1 ZINC001592442202 1167525495 /nfs/dbraw/zinc/52/54/95/1167525495.db2.gz JAGCTXAEWJGZAI-NBEYISGCSA-N -1 1 305.342 0.661 20 0 DCADMM Cc1noc(C)c1CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001592457842 1167529556 /nfs/dbraw/zinc/52/95/56/1167529556.db2.gz JYIYOAOVDZPAJI-UHFFFAOYSA-N -1 1 302.298 0.684 20 0 DCADMM Cc1nsc(N(C)C(=O)c2cncn2C)c1-c1nnn[n-]1 ZINC001592467985 1167532071 /nfs/dbraw/zinc/53/20/71/1167532071.db2.gz UHENSVPEGSOUAX-UHFFFAOYSA-N -1 1 304.339 0.642 20 0 DCADMM Cc1nsc(N(C)C(=O)c2cncn2C)c1-c1nn[n-]n1 ZINC001592467985 1167532073 /nfs/dbraw/zinc/53/20/73/1167532073.db2.gz UHENSVPEGSOUAX-UHFFFAOYSA-N -1 1 304.339 0.642 20 0 DCADMM Cc1nsc(N[C@@H]2CCc3nnnn3CC2)c1-c1nn[n-]n1 ZINC001592486613 1167536692 /nfs/dbraw/zinc/53/66/92/1167536692.db2.gz OZHYEXPLKNPTKJ-SSDOTTSWSA-N -1 1 318.370 0.435 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](CO)C(F)(F)F ZINC001592500056 1167540439 /nfs/dbraw/zinc/54/04/39/1167540439.db2.gz JBSBBJAGFPHKDV-SSDOTTSWSA-N -1 1 305.216 0.421 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](CO)C(F)(F)F ZINC001592500056 1167540445 /nfs/dbraw/zinc/54/04/45/1167540445.db2.gz JBSBBJAGFPHKDV-SSDOTTSWSA-N -1 1 305.216 0.421 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)C(=O)NC(C)C ZINC001592502546 1167541972 /nfs/dbraw/zinc/54/19/72/1167541972.db2.gz UUNWLMRHDQJHTJ-QMMMGPOBSA-N -1 1 307.310 0.838 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)C(=O)NC(C)C ZINC001592502546 1167541980 /nfs/dbraw/zinc/54/19/80/1167541980.db2.gz UUNWLMRHDQJHTJ-QMMMGPOBSA-N -1 1 307.310 0.838 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NCC1CCC1 ZINC001592501343 1167542276 /nfs/dbraw/zinc/54/22/76/1167542276.db2.gz IZSMWNLICATWOP-UHFFFAOYSA-N -1 1 319.321 0.841 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NCC1CCC1 ZINC001592501343 1167542282 /nfs/dbraw/zinc/54/22/82/1167542282.db2.gz IZSMWNLICATWOP-UHFFFAOYSA-N -1 1 319.321 0.841 20 0 DCADMM Cc1oc(NC(=O)CN2CCCOCC2)c(-c2nn[n-]n2)c1C ZINC001592509238 1167543122 /nfs/dbraw/zinc/54/31/22/1167543122.db2.gz AUWHIPBECDUHQF-UHFFFAOYSA-N -1 1 320.353 0.737 20 0 DCADMM Cc1occc1C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592511134 1167544168 /nfs/dbraw/zinc/54/41/68/1167544168.db2.gz GLHBFKVKXIVCHN-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1occc1C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592511134 1167544173 /nfs/dbraw/zinc/54/41/73/1167544173.db2.gz GLHBFKVKXIVCHN-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC001592503883 1167544386 /nfs/dbraw/zinc/54/43/86/1167544386.db2.gz ZJWNQRJTZLHBRD-SECBINFHSA-N -1 1 313.321 0.779 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC001592503883 1167544391 /nfs/dbraw/zinc/54/43/91/1167544391.db2.gz ZJWNQRJTZLHBRD-SECBINFHSA-N -1 1 313.321 0.779 20 0 DCADMM Cc1onc(CC(=O)NCCc2ccon2)c1-c1nnn[n-]1 ZINC001592517523 1167546991 /nfs/dbraw/zinc/54/69/91/1167546991.db2.gz XTRZROUVTOZKCY-UHFFFAOYSA-N -1 1 303.282 0.053 20 0 DCADMM Cc1onc(CC(=O)NCCc2ccon2)c1-c1nn[n-]n1 ZINC001592517523 1167546997 /nfs/dbraw/zinc/54/69/97/1167546997.db2.gz XTRZROUVTOZKCY-UHFFFAOYSA-N -1 1 303.282 0.053 20 0 DCADMM Cc1onc(CC(=O)NCCC2CCOCC2)c1-c1nnn[n-]1 ZINC001592517206 1167547427 /nfs/dbraw/zinc/54/74/27/1167547427.db2.gz NELAQUBQPQOZLS-UHFFFAOYSA-N -1 1 320.353 0.639 20 0 DCADMM Cc1onc(CC(=O)NCCC2CCOCC2)c1-c1nn[n-]n1 ZINC001592517206 1167547436 /nfs/dbraw/zinc/54/74/36/1167547436.db2.gz NELAQUBQPQOZLS-UHFFFAOYSA-N -1 1 320.353 0.639 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCC=CO2)c1-c1nnn[n-]1 ZINC001592517594 1167547691 /nfs/dbraw/zinc/54/76/91/1167547691.db2.gz NBDVCGHSHBXCNE-VIFPVBQESA-N -1 1 304.310 0.515 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCC=CO2)c1-c1nn[n-]n1 ZINC001592517594 1167547695 /nfs/dbraw/zinc/54/76/95/1167547695.db2.gz NBDVCGHSHBXCNE-VIFPVBQESA-N -1 1 304.310 0.515 20 0 DCADMM Cn1c(=O)[nH]c(NCC[C@H]2CCCS2)c(-c2nn[n-]n2)c1=O ZINC001592545484 1167550776 /nfs/dbraw/zinc/55/07/76/1167550776.db2.gz ABZIRYVVMABILA-SSDOTTSWSA-N -1 1 323.382 0.364 20 0 DCADMM Cn1c(=O)[nH]c(N[C@H]2CCCC2(C)C)c(-c2nn[n-]n2)c1=O ZINC001592546910 1167553487 /nfs/dbraw/zinc/55/34/87/1167553487.db2.gz VVQJALZKAPMSKY-ZETCQYMHSA-N -1 1 305.342 0.657 20 0 DCADMM Cn1cc(Cn2ccnc2-c2nnn[n-]2)c(Br)n1 ZINC001592575599 1167565410 /nfs/dbraw/zinc/56/54/10/1167565410.db2.gz HUCHBIPDNLWAOR-UHFFFAOYSA-N -1 1 309.131 0.608 20 0 DCADMM Cn1cc(Cn2ccnc2-c2nn[n-]n2)c(Br)n1 ZINC001592575599 1167565416 /nfs/dbraw/zinc/56/54/16/1167565416.db2.gz HUCHBIPDNLWAOR-UHFFFAOYSA-N -1 1 309.131 0.608 20 0 DCADMM Cn1ccc(CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)n1 ZINC001592579004 1167568705 /nfs/dbraw/zinc/56/87/05/1167568705.db2.gz NSAWNSYOMQRYDH-UHFFFAOYSA-N -1 1 313.325 0.382 20 0 DCADMM Cn1[nH]c([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)nc1=N ZINC001592595789 1167576587 /nfs/dbraw/zinc/57/65/87/1167576587.db2.gz GJGNEXZVKHWQGL-SECBINFHSA-N -1 1 315.341 0.338 20 0 DCADMM Cn1[nH]c([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)o2)nc1=N ZINC001592595789 1167576594 /nfs/dbraw/zinc/57/65/94/1167576594.db2.gz GJGNEXZVKHWQGL-SECBINFHSA-N -1 1 315.341 0.338 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001592591525 1167576976 /nfs/dbraw/zinc/57/69/76/1167576976.db2.gz UJQRVEFXEAOYTC-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001592591525 1167576981 /nfs/dbraw/zinc/57/69/81/1167576981.db2.gz UJQRVEFXEAOYTC-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1nccc1C1=CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592605977 1167581043 /nfs/dbraw/zinc/58/10/43/1167581043.db2.gz CRBVWDCZKMPVJX-UHFFFAOYSA-N -1 1 309.337 0.684 20 0 DCADMM Cn1nccc1C1=CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592605977 1167581050 /nfs/dbraw/zinc/58/10/50/1167581050.db2.gz CRBVWDCZKMPVJX-UHFFFAOYSA-N -1 1 309.337 0.684 20 0 DCADMM FC(F)(F)C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001592615289 1167586850 /nfs/dbraw/zinc/58/68/50/1167586850.db2.gz IAYINEYTXPFXBM-ZETCQYMHSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)(F)C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001592615289 1167586856 /nfs/dbraw/zinc/58/68/56/1167586856.db2.gz IAYINEYTXPFXBM-ZETCQYMHSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)CN1CC[C@H](CNc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592624309 1167587478 /nfs/dbraw/zinc/58/74/78/1167587478.db2.gz LXOHCSSCRNROLS-SECBINFHSA-N -1 1 309.324 0.683 20 0 DCADMM FC(F)CN1CC[C@H](CNc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592624309 1167587482 /nfs/dbraw/zinc/58/74/82/1167587482.db2.gz LXOHCSSCRNROLS-SECBINFHSA-N -1 1 309.324 0.683 20 0 DCADMM NC(=O)[C@H](C1CC1)N(CC1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001592714262 1167609135 /nfs/dbraw/zinc/60/91/35/1167609135.db2.gz MDNNUEWVHVTDDH-NSHDSACASA-N -1 1 314.353 0.137 20 0 DCADMM NC(=O)N1CC[C@@H](CNC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001592728716 1167618190 /nfs/dbraw/zinc/61/81/90/1167618190.db2.gz BXNSTQYAXPMQDY-ZETCQYMHSA-N -1 1 321.366 0.059 20 0 DCADMM NC(=O)c1cccc2c1CCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001592737974 1167622674 /nfs/dbraw/zinc/62/26/74/1167622674.db2.gz UTPSCYVAHSRRTM-UHFFFAOYSA-N -1 1 322.332 0.318 20 0 DCADMM NC(=O)c1cccc2c1CCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001592737974 1167622679 /nfs/dbraw/zinc/62/26/79/1167622679.db2.gz UTPSCYVAHSRRTM-UHFFFAOYSA-N -1 1 322.332 0.318 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccnn1CC1CCC1 ZINC001592752989 1167631227 /nfs/dbraw/zinc/63/12/27/1167631227.db2.gz LWCKVFGWWQICIP-UHFFFAOYSA-N -1 1 313.325 0.331 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cnn2ccccc12 ZINC001592753479 1167632314 /nfs/dbraw/zinc/63/23/14/1167632314.db2.gz SYJSBATZSYPLFA-UHFFFAOYSA-N -1 1 309.293 0.176 20 0 DCADMM O=C(C[C@@H]1C=CCC1)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592810727 1167644812 /nfs/dbraw/zinc/64/48/12/1167644812.db2.gz WCDGKOGZFFBPDQ-SNVBAGLBSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(C[C@@H]1C=CCC1)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592810727 1167644818 /nfs/dbraw/zinc/64/48/18/1167644818.db2.gz WCDGKOGZFFBPDQ-SNVBAGLBSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(CNc1ccnc(-c2nn[n-]n2)n1)OC1CCCCC1 ZINC001592878343 1167656530 /nfs/dbraw/zinc/65/65/30/1167656530.db2.gz CSRAHBUPQVLDDZ-UHFFFAOYSA-N -1 1 303.326 0.366 20 0 DCADMM O=C(CSC[C@@H]1CCCCO1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592902738 1167661961 /nfs/dbraw/zinc/66/19/61/1167661961.db2.gz ZUPITFMANGHEQL-QMMMGPOBSA-N -1 1 323.382 0.831 20 0 DCADMM O=C(CSC[C@@H]1CCCCO1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592902738 1167661963 /nfs/dbraw/zinc/66/19/63/1167661963.db2.gz ZUPITFMANGHEQL-QMMMGPOBSA-N -1 1 323.382 0.831 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1COC[C@H]1C1CC1 ZINC001592914567 1167662985 /nfs/dbraw/zinc/66/29/85/1167662985.db2.gz CQQHEWRBQQJXJY-AAEUAGOBSA-N -1 1 314.349 0.345 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1COC[C@H]1C1CC1 ZINC001592914567 1167662989 /nfs/dbraw/zinc/66/29/89/1167662989.db2.gz CQQHEWRBQQJXJY-AAEUAGOBSA-N -1 1 314.349 0.345 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@H]1C[C@]12CCOC2 ZINC001592915506 1167666137 /nfs/dbraw/zinc/66/61/37/1167666137.db2.gz XVAXWBLDKRNFOQ-ABAIWWIYSA-N -1 1 315.333 0.774 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@H]1C[C@]12CCOC2 ZINC001592915506 1167666151 /nfs/dbraw/zinc/66/61/51/1167666151.db2.gz XVAXWBLDKRNFOQ-ABAIWWIYSA-N -1 1 315.333 0.774 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCC[C@H]1C=CCC1 ZINC001592941114 1167669062 /nfs/dbraw/zinc/66/90/62/1167669062.db2.gz TUMLHBXGZGWPAA-JTQLQIEISA-N -1 1 302.342 0.321 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CCC1CC1)CC1CC1 ZINC001592940549 1167669492 /nfs/dbraw/zinc/66/94/92/1167669492.db2.gz NBZOGSFGZAZKDS-UHFFFAOYSA-N -1 1 316.369 0.497 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)NCC1CCCCC1 ZINC001592941900 1167669562 /nfs/dbraw/zinc/66/95/62/1167669562.db2.gz YMHMRQHWVLMJGH-UHFFFAOYSA-N -1 1 317.353 0.120 20 0 DCADMM O=C(N[C@@]1(CCO)CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001592957028 1167674120 /nfs/dbraw/zinc/67/41/20/1167674120.db2.gz UZDFNFXZQIPRTH-LBPRGKRZSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001592953862 1167674834 /nfs/dbraw/zinc/67/48/34/1167674834.db2.gz QOKUOVNTRNBULC-ZJUUUORDSA-N -1 1 323.378 0.588 20 0 DCADMM O=C(N[C@H](CO)CC1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592954212 1167674862 /nfs/dbraw/zinc/67/48/62/1167674862.db2.gz XPQVGAROICIAIT-VIFPVBQESA-N -1 1 305.313 0.897 20 0 DCADMM O=C(N[C@H](CO)CC1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592954212 1167674865 /nfs/dbraw/zinc/67/48/65/1167674865.db2.gz XPQVGAROICIAIT-VIFPVBQESA-N -1 1 305.313 0.897 20 0 DCADMM O=C(N[C@@H]1CCc2c[nH]nc2C1)c1csc(-c2nn[n-]n2)c1 ZINC001592995395 1167682262 /nfs/dbraw/zinc/68/22/62/1167682262.db2.gz BHIWZLNZDVTHSK-SECBINFHSA-N -1 1 315.362 0.939 20 0 DCADMM O=C(N[C@H]1CC[C@@H](O)[C@@H](O)CC1)c1csc(-c2nn[n-]n2)c1 ZINC001592995116 1167682400 /nfs/dbraw/zinc/68/24/00/1167682400.db2.gz AQBWVBGWYPCQMR-ILWJIGKKSA-N -1 1 323.378 0.322 20 0 DCADMM O=C(N[C@H]1CCOC12CCOCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001592996166 1167682598 /nfs/dbraw/zinc/68/25/98/1167682598.db2.gz MBJUUFILRMCIIG-NSHDSACASA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@H]1CCOC12CCOCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001592996166 1167682603 /nfs/dbraw/zinc/68/26/03/1167682603.db2.gz MBJUUFILRMCIIG-NSHDSACASA-N -1 1 319.321 0.528 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)o1)c1cncs1 ZINC001593004089 1167683628 /nfs/dbraw/zinc/68/36/28/1167683628.db2.gz BOLUERJLTUILNR-UHFFFAOYSA-N -1 1 304.291 0.529 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)o1)c1cncs1 ZINC001593004089 1167683635 /nfs/dbraw/zinc/68/36/35/1167683635.db2.gz BOLUERJLTUILNR-UHFFFAOYSA-N -1 1 304.291 0.529 20 0 DCADMM O=C(NCC1(O)CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001593021034 1167688139 /nfs/dbraw/zinc/68/81/39/1167688139.db2.gz SGXWQSILCYKUCK-UHFFFAOYSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(NC[C@@H](O)c1ccsc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593014028 1167688585 /nfs/dbraw/zinc/68/85/85/1167688585.db2.gz SSBSXSRKWPOAAX-LLVKDONJSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@@H](O)c1ccsc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593014028 1167688588 /nfs/dbraw/zinc/68/85/88/1167688588.db2.gz SSBSXSRKWPOAAX-LLVKDONJSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@@H](O)c1ccco1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593014215 1167689232 /nfs/dbraw/zinc/68/92/32/1167689232.db2.gz WXXIXOWFPHAMQG-SNVBAGLBSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@@H](O)c1ccco1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593014215 1167689236 /nfs/dbraw/zinc/68/92/36/1167689236.db2.gz WXXIXOWFPHAMQG-SNVBAGLBSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@@H]1CC2(CCC2)CO1)c1cccc(-c2nnn[n-]2)n1 ZINC001593029311 1167690399 /nfs/dbraw/zinc/69/03/99/1167690399.db2.gz WFQLOACGEYWNNH-JTQLQIEISA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NC[C@@H]1CC2(CCC2)CO1)c1cccc(-c2nn[n-]n2)n1 ZINC001593029311 1167690403 /nfs/dbraw/zinc/69/04/03/1167690403.db2.gz WFQLOACGEYWNNH-JTQLQIEISA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NCCO[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593096661 1167705382 /nfs/dbraw/zinc/70/53/82/1167705382.db2.gz PWWRYDXULVHCNQ-LBPRGKRZSA-N -1 1 318.337 0.535 20 0 DCADMM O=C(NCCO[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593096661 1167705389 /nfs/dbraw/zinc/70/53/89/1167705389.db2.gz PWWRYDXULVHCNQ-LBPRGKRZSA-N -1 1 318.337 0.535 20 0 DCADMM O=C(NCCOC[C@@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001593096918 1167706774 /nfs/dbraw/zinc/70/67/74/1167706774.db2.gz CRIWGZDUZJNVFX-SECBINFHSA-N -1 1 323.378 0.711 20 0 DCADMM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593111005 1167710753 /nfs/dbraw/zinc/71/07/53/1167710753.db2.gz DQGFXUCXQFQPKO-WCQGTBRESA-N -1 1 312.333 0.583 20 0 DCADMM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593111005 1167710760 /nfs/dbraw/zinc/71/07/60/1167710760.db2.gz DQGFXUCXQFQPKO-WCQGTBRESA-N -1 1 312.333 0.583 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCC=CCCC1 ZINC001593109497 1167713180 /nfs/dbraw/zinc/71/31/80/1167713180.db2.gz MASFIQUWDQJZLF-LLVKDONJSA-N -1 1 316.369 0.711 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccnc(CO)c1 ZINC001593137375 1167721549 /nfs/dbraw/zinc/72/15/49/1167721549.db2.gz YPFYBKDXEOQQAL-UHFFFAOYSA-N -1 1 316.346 0.746 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H]1C[C@H]1C1CC1 ZINC001593149671 1167726958 /nfs/dbraw/zinc/72/69/58/1167726958.db2.gz ASVJVAAPJQTAKL-JGVFFNPUSA-N -1 1 305.367 0.921 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H]1C[C@H]1C1CC1 ZINC001593149671 1167726966 /nfs/dbraw/zinc/72/69/66/1167726966.db2.gz ASVJVAAPJQTAKL-JGVFFNPUSA-N -1 1 305.367 0.921 20 0 DCADMM O=C(Nc1n[nH]c2c1COCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001593195843 1167734406 /nfs/dbraw/zinc/73/44/06/1167734406.db2.gz HERDHKBUWUNYHK-UHFFFAOYSA-N -1 1 317.334 0.976 20 0 DCADMM O=C(Nc1n[nH]c2c1COCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001593195843 1167734408 /nfs/dbraw/zinc/73/44/08/1167734408.db2.gz HERDHKBUWUNYHK-UHFFFAOYSA-N -1 1 317.334 0.976 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1nccc2cccnc21 ZINC001593199658 1167735947 /nfs/dbraw/zinc/73/59/47/1167735947.db2.gz QSHFVMDOPJTYAQ-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1nccc2cccnc21 ZINC001593199658 1167735953 /nfs/dbraw/zinc/73/59/53/1167735953.db2.gz QSHFVMDOPJTYAQ-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001593244539 1167744112 /nfs/dbraw/zinc/74/41/12/1167744112.db2.gz ZYQZAJCJWVBGHV-WCBMZHEXSA-N -1 1 313.321 0.115 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001593244539 1167744116 /nfs/dbraw/zinc/74/41/16/1167744116.db2.gz ZYQZAJCJWVBGHV-WCBMZHEXSA-N -1 1 313.321 0.115 20 0 DCADMM O=C(Nc1n[nH]c(C2CCC2)n1)c1cccc(-c2nn[n-]n2)n1 ZINC001593261887 1167745331 /nfs/dbraw/zinc/74/53/31/1167745331.db2.gz GJQSNVDENTWKRF-UHFFFAOYSA-N -1 1 311.309 0.900 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)NC1(CF)CCOCC1 ZINC001593256884 1167747891 /nfs/dbraw/zinc/74/78/91/1167747891.db2.gz YZSGNMZZCSCMQY-UHFFFAOYSA-N -1 1 321.316 0.902 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)NC1(CF)CCOCC1 ZINC001593256884 1167747896 /nfs/dbraw/zinc/74/78/96/1167747896.db2.gz YZSGNMZZCSCMQY-UHFFFAOYSA-N -1 1 321.316 0.902 20 0 DCADMM O=C([O-])[C@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001593276984 1167752323 /nfs/dbraw/zinc/75/23/23/1167752323.db2.gz WISHEGRRQQSVGL-WCBMZHEXSA-N -1 1 309.351 0.650 20 0 DCADMM O=C(OCCO[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593290056 1167760870 /nfs/dbraw/zinc/76/08/70/1167760870.db2.gz DSLTWENXFPWJAL-JTQLQIEISA-N -1 1 305.294 0.224 20 0 DCADMM O=C(OCCO[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593290056 1167760873 /nfs/dbraw/zinc/76/08/73/1167760873.db2.gz DSLTWENXFPWJAL-JTQLQIEISA-N -1 1 305.294 0.224 20 0 DCADMM O=C(OCCN1CCCCC1=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001593289907 1167761862 /nfs/dbraw/zinc/76/18/62/1167761862.db2.gz HHHGPXYRORUHHN-UHFFFAOYSA-N -1 1 316.321 0.431 20 0 DCADMM O=C(OCCN1CCCCC1=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001593289907 1167761871 /nfs/dbraw/zinc/76/18/71/1167761871.db2.gz HHHGPXYRORUHHN-UHFFFAOYSA-N -1 1 316.321 0.431 20 0 DCADMM O=C(O[C@@H]1CCN2C(=O)OC[C@H]12)c1ccc(-c2nnn[n-]2)nc1 ZINC001593307020 1167767170 /nfs/dbraw/zinc/76/71/70/1167767170.db2.gz FRZCXQNPQBBQKH-NXEZZACHSA-N -1 1 316.277 0.012 20 0 DCADMM O=C(O[C@@H]1CCN2C(=O)OC[C@H]12)c1ccc(-c2nn[n-]n2)nc1 ZINC001593307020 1167767176 /nfs/dbraw/zinc/76/71/76/1167767176.db2.gz FRZCXQNPQBBQKH-NXEZZACHSA-N -1 1 316.277 0.012 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](CCO)CC1 ZINC001593336904 1167777768 /nfs/dbraw/zinc/77/77/68/1167777768.db2.gz ILTPYRJOQZTSFM-NSHDSACASA-N -1 1 316.365 0.886 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](CCO)CC1 ZINC001593336904 1167777777 /nfs/dbraw/zinc/77/77/77/1167777777.db2.gz ILTPYRJOQZTSFM-NSHDSACASA-N -1 1 316.365 0.886 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]2COCC[C@@H]21 ZINC001593359020 1167783921 /nfs/dbraw/zinc/78/39/21/1167783921.db2.gz SWKFHUUVIPNJRP-YPMHNXCESA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]2COCC[C@@H]21 ZINC001593359020 1167783928 /nfs/dbraw/zinc/78/39/28/1167783928.db2.gz SWKFHUUVIPNJRP-YPMHNXCESA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H](OC(F)F)C1 ZINC001593349117 1167785669 /nfs/dbraw/zinc/78/56/69/1167785669.db2.gz ZAKPJGGHRXBICP-ZETCQYMHSA-N -1 1 310.264 0.715 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H](OC(F)F)C1 ZINC001593349117 1167785670 /nfs/dbraw/zinc/78/56/70/1167785670.db2.gz ZAKPJGGHRXBICP-ZETCQYMHSA-N -1 1 310.264 0.715 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CC(=O)Nc2ccccc21 ZINC001593382648 1167793566 /nfs/dbraw/zinc/79/35/66/1167793566.db2.gz FEAYTRHBGYZGAB-QMMMGPOBSA-N -1 1 324.304 0.654 20 0 DCADMM O=C1C[C@H]([C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CN1 ZINC001593382824 1167793744 /nfs/dbraw/zinc/79/37/44/1167793744.db2.gz IGZQCQKAWRFOPX-GXSJLCMTSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1C[C@H]([C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CN1 ZINC001593382824 1167793752 /nfs/dbraw/zinc/79/37/52/1167793752.db2.gz IGZQCQKAWRFOPX-GXSJLCMTSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC001593389189 1167802494 /nfs/dbraw/zinc/80/24/94/1167802494.db2.gz SZZDNUNGXRDLCD-SFYZADRCSA-N -1 1 318.362 0.421 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC001593389189 1167802504 /nfs/dbraw/zinc/80/25/04/1167802504.db2.gz SZZDNUNGXRDLCD-SFYZADRCSA-N -1 1 318.362 0.421 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC001593396763 1167812650 /nfs/dbraw/zinc/81/26/50/1167812650.db2.gz BNJCQMJJWYYBOW-UHFFFAOYSA-N -1 1 324.304 0.226 20 0 DCADMM O=C1Cc2ccccc2N1CCNc1ncncc1-c1nn[n-]n1 ZINC001593402015 1167818079 /nfs/dbraw/zinc/81/80/79/1167818079.db2.gz VIQATUKBTNXAST-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM O=C1NCCN1CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593409823 1167821033 /nfs/dbraw/zinc/82/10/33/1167821033.db2.gz OULVEYSBCWUNPW-UHFFFAOYSA-N -1 1 308.733 0.352 20 0 DCADMM O=C1NCCN1CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593409823 1167821050 /nfs/dbraw/zinc/82/10/50/1167821050.db2.gz OULVEYSBCWUNPW-UHFFFAOYSA-N -1 1 308.733 0.352 20 0 DCADMM O=S(=O)(NC/C=C\Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001593437651 1167842395 /nfs/dbraw/zinc/84/23/95/1167842395.db2.gz AXAOSJULLWXOLS-RJRFIUFISA-N -1 1 300.731 0.293 20 0 DCADMM O=S(=O)(NC/C=C\Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001593437651 1167842405 /nfs/dbraw/zinc/84/24/05/1167842405.db2.gz AXAOSJULLWXOLS-RJRFIUFISA-N -1 1 300.731 0.293 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)o1)N1CCCSCC1 ZINC001593454653 1167845262 /nfs/dbraw/zinc/84/52/62/1167845262.db2.gz LDVGIBDTTPJXLI-UHFFFAOYSA-N -1 1 315.380 0.587 20 0 DCADMM O=S1(=O)C[C@@H]2CC[C@@H](C2)N1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593464614 1167854776 /nfs/dbraw/zinc/85/47/76/1167854776.db2.gz PPMKDJVHVOSETR-BDAKNGLRSA-N -1 1 309.351 0.774 20 0 DCADMM O=S1(=O)C[C@@H]2CC[C@@H](C2)N1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593464614 1167854782 /nfs/dbraw/zinc/85/47/82/1167854782.db2.gz PPMKDJVHVOSETR-BDAKNGLRSA-N -1 1 309.351 0.774 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CN1CCCCC1)CCC2 ZINC001593492784 1167875516 /nfs/dbraw/zinc/87/55/16/1167875516.db2.gz XMQXIPZDCZTVJO-UHFFFAOYSA-N -1 1 300.366 0.961 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1nncs1)CCC2 ZINC001593491099 1167877626 /nfs/dbraw/zinc/87/76/26/1167877626.db2.gz WTWRGTWWCWOIEJ-UHFFFAOYSA-N -1 1 301.335 0.417 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1nc(C2CCCC2)no1 ZINC001593495598 1167879543 /nfs/dbraw/zinc/87/95/43/1167879543.db2.gz KNIKGOAKZRCDGF-UHFFFAOYSA-N -1 1 314.309 0.512 20 0 DCADMM O[C@H](CNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001593507605 1167884928 /nfs/dbraw/zinc/88/49/28/1167884928.db2.gz RHKLQAIIIWGCDV-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM O[C@H](CNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001593507605 1167884937 /nfs/dbraw/zinc/88/49/37/1167884937.db2.gz RHKLQAIIIWGCDV-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC001593508009 1167886249 /nfs/dbraw/zinc/88/62/49/1167886249.db2.gz WUYUETOCDPFEKC-NTSWFWBYSA-N -1 1 316.774 0.928 20 0 DCADMM O[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC001593508009 1167886254 /nfs/dbraw/zinc/88/62/54/1167886254.db2.gz WUYUETOCDPFEKC-NTSWFWBYSA-N -1 1 316.774 0.928 20 0 DCADMM O[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)Cc1cccc(F)c1 ZINC001593505525 1167886517 /nfs/dbraw/zinc/88/65/17/1167886517.db2.gz AQQCDJCHZRSBFV-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)Cc1cccc(F)c1 ZINC001593505525 1167886527 /nfs/dbraw/zinc/88/65/27/1167886527.db2.gz AQQCDJCHZRSBFV-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1ccnc(-c2nn[n-]n2)n1)Cc1ccc(F)cc1 ZINC001593507192 1167886607 /nfs/dbraw/zinc/88/66/07/1167886607.db2.gz NHHUSXDTNFKJAL-NSHDSACASA-N -1 1 315.312 0.233 20 0 DCADMM O[C@]1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCSC1 ZINC001593511233 1167890343 /nfs/dbraw/zinc/89/03/43/1167890343.db2.gz NKNIVRPQEOIREB-ZDUSSCGKSA-N -1 1 319.394 0.814 20 0 DCADMM O[C@]1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCSC1 ZINC001593511233 1167890350 /nfs/dbraw/zinc/89/03/50/1167890350.db2.gz NKNIVRPQEOIREB-ZDUSSCGKSA-N -1 1 319.394 0.814 20 0 DCADMM O[C@@H]1CCc2nn(Cc3nc(-c4nnn[n-]4)cs3)cc2C1 ZINC001593519202 1167890884 /nfs/dbraw/zinc/89/08/84/1167890884.db2.gz JUZSIGBSSMXYDR-MRVPVSSYSA-N -1 1 303.351 0.418 20 0 DCADMM O[C@@H]1CCc2nn(Cc3nc(-c4nn[n-]n4)cs3)cc2C1 ZINC001593519202 1167890893 /nfs/dbraw/zinc/89/08/93/1167890893.db2.gz JUZSIGBSSMXYDR-MRVPVSSYSA-N -1 1 303.351 0.418 20 0 DCADMM O[C@H]1CCOC2(CCN(c3cccc(-c4nnn[n-]4)n3)CC2)C1 ZINC001593519291 1167890943 /nfs/dbraw/zinc/89/09/43/1167890943.db2.gz MFKJMHTWGCZVFH-NSHDSACASA-N -1 1 316.365 0.772 20 0 DCADMM O[C@H]1CCOC2(CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC001593519291 1167890953 /nfs/dbraw/zinc/89/09/53/1167890953.db2.gz MFKJMHTWGCZVFH-NSHDSACASA-N -1 1 316.365 0.772 20 0 DCADMM OC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ncc[nH]1 ZINC001593526617 1167904984 /nfs/dbraw/zinc/90/49/84/1167904984.db2.gz MMDHRAIQXHABND-SSDOTTSWSA-N -1 1 306.717 0.784 20 0 DCADMM OC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ncc[nH]1 ZINC001593526617 1167904987 /nfs/dbraw/zinc/90/49/87/1167904987.db2.gz MMDHRAIQXHABND-SSDOTTSWSA-N -1 1 306.717 0.784 20 0 DCADMM OC[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H]1O ZINC001593529270 1167905376 /nfs/dbraw/zinc/90/53/76/1167905376.db2.gz SRZHAKSPGQWBPK-LKFCYVNXSA-N -1 1 312.333 0.204 20 0 DCADMM OC[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H]1O ZINC001593529270 1167905384 /nfs/dbraw/zinc/90/53/84/1167905384.db2.gz SRZHAKSPGQWBPK-LKFCYVNXSA-N -1 1 312.333 0.204 20 0 DCADMM OCCn1ccc(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)n1 ZINC001593531445 1167909105 /nfs/dbraw/zinc/90/91/05/1167909105.db2.gz JPYWXNZVJVLOFW-UHFFFAOYSA-N -1 1 313.325 0.467 20 0 DCADMM OCCn1ccc(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)n1 ZINC001593531445 1167909118 /nfs/dbraw/zinc/90/91/18/1167909118.db2.gz JPYWXNZVJVLOFW-UHFFFAOYSA-N -1 1 313.325 0.467 20 0 DCADMM c1ncn(-c2cc(CNc3ccnc(-c4nnn[n-]4)c3)ccn2)n1 ZINC001593561454 1167940005 /nfs/dbraw/zinc/94/00/05/1167940005.db2.gz RCJXAJYVTNTMGW-UHFFFAOYSA-N -1 1 320.320 0.271 20 0 DCADMM c1ncn(-c2cc(CNc3ccnc(-c4nn[n-]n4)c3)ccn2)n1 ZINC001593561454 1167940010 /nfs/dbraw/zinc/94/00/10/1167940010.db2.gz RCJXAJYVTNTMGW-UHFFFAOYSA-N -1 1 320.320 0.271 20 0 DCADMM c1c(CNc2cc(-c3nnn[n-]3)ncn2)nnn1-c1ccccc1 ZINC001593569760 1167945304 /nfs/dbraw/zinc/94/53/04/1167945304.db2.gz XWAOKCRMRPNNJF-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1c(CNc2cc(-c3nn[n-]n3)ncn2)nnn1-c1ccccc1 ZINC001593569760 1167945314 /nfs/dbraw/zinc/94/53/14/1167945314.db2.gz XWAOKCRMRPNNJF-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1ccc2c(c1)CCO[C@@H]2CNc1ccnc(-c2nn[n-]n2)n1 ZINC001593579706 1167949071 /nfs/dbraw/zinc/94/90/71/1167949071.db2.gz AEXDYWQMJBICON-GFCCVEGCSA-N -1 1 309.333 0.805 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CCO[C@@]3(CCCOC3)C2)n1 ZINC001593591223 1167954805 /nfs/dbraw/zinc/95/48/05/1167954805.db2.gz IQFHGGKAMBTQBS-ZDUSSCGKSA-N -1 1 303.326 0.043 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCC(O[C@H]3CCOC3)CC2)n1 ZINC001593590243 1167955470 /nfs/dbraw/zinc/95/54/70/1167955470.db2.gz LRRCMLSGJCUOQC-NSHDSACASA-N -1 1 317.353 0.431 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCC(O[C@H]3CCOC3)CC2)n1 ZINC001593590243 1167955479 /nfs/dbraw/zinc/95/54/79/1167955479.db2.gz LRRCMLSGJCUOQC-NSHDSACASA-N -1 1 317.353 0.431 20 0 DCADMM c1nnn2c1CN(Cc1csc(-c3nn[n-]n3)c1)CCC2 ZINC001593594125 1167957708 /nfs/dbraw/zinc/95/77/08/1167957708.db2.gz NZFUDZBEIUWIEI-UHFFFAOYSA-N -1 1 302.367 0.926 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCc1c(C)noc1C ZINC001595724563 1167975643 /nfs/dbraw/zinc/97/56/43/1167975643.db2.gz COPUOIZCZWFGPS-UHFFFAOYSA-N -1 1 322.321 0.864 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)Cn3cc(Cl)cn3)nc2n1 ZINC001596081711 1167987103 /nfs/dbraw/zinc/98/71/03/1167987103.db2.gz QPJFIGOMDXAPEK-UHFFFAOYSA-N -1 1 307.701 0.215 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)[C@H](C(=O)[O-])C1 ZINC001598795141 1168037229 /nfs/dbraw/zinc/03/72/29/1168037229.db2.gz DDNYVNVBVWJVGJ-ONGXEEELSA-N -1 1 321.333 0.766 20 0 DCADMM Cc1c(C(=O)[O-])cc(CNC(=O)Cc2n[nH]c(C3CC3)n2)n1C ZINC001599990738 1168079645 /nfs/dbraw/zinc/07/96/45/1168079645.db2.gz HFRIYCULZBMAAX-UHFFFAOYSA-N -1 1 317.349 0.886 20 0 DCADMM Cc1cc(C[C@@H](C)NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001600189148 1168133852 /nfs/dbraw/zinc/13/38/52/1168133852.db2.gz LCDKQXAFDYZGRV-ZYHUDNBSSA-N -1 1 323.397 0.307 20 0 DCADMM Cc1cc(C[C@H](C)NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001600189144 1168134413 /nfs/dbraw/zinc/13/44/13/1168134413.db2.gz LCDKQXAFDYZGRV-CMPLNLGQSA-N -1 1 323.397 0.307 20 0 DCADMM Cc1ccc(-c2cc(C(=O)N3CC(O)(C(=O)[O-])C3)n[nH]2)cc1 ZINC001600312992 1168165680 /nfs/dbraw/zinc/16/56/80/1168165680.db2.gz ITYDLHVLDXZJIH-UHFFFAOYSA-N -1 1 301.302 0.657 20 0 DCADMM Cc1ccc(C(=O)N2CC(N3CCN(C)CC3)C2)cc1C(=O)[O-] ZINC001600331440 1168167963 /nfs/dbraw/zinc/16/79/63/1168167963.db2.gz DAYYRFLNGKBJQH-UHFFFAOYSA-N -1 1 317.389 0.765 20 0 DCADMM Cc1cnc2cc(C(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])ccn12 ZINC001600626655 1168218242 /nfs/dbraw/zinc/21/82/42/1168218242.db2.gz OOFMXXDTZGHPQR-GFCCVEGCSA-N -1 1 313.317 0.792 20 0 DCADMM Cc1nc(CC(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])n[nH]1 ZINC001600671312 1168241236 /nfs/dbraw/zinc/24/12/36/1168241236.db2.gz ISJBNGBRSAQEBZ-SNVBAGLBSA-N -1 1 304.306 0.173 20 0 DCADMM Cc1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)cs1 ZINC001600701744 1168258950 /nfs/dbraw/zinc/25/89/50/1168258950.db2.gz MCVYRNAOHZOBTP-DMWPJOQESA-N -1 1 309.391 0.909 20 0 DCADMM Cc1nc2c(cccc2C(=O)N2CCN(CC(=O)[O-])CC2)o1 ZINC001600720933 1168262928 /nfs/dbraw/zinc/26/29/28/1168262928.db2.gz ISCCYZHPOVPDCA-UHFFFAOYSA-N -1 1 303.318 0.979 20 0 DCADMM Cc1ncc(S(=O)(=O)N(C)Cc2nnc[nH]2)cc1C(=O)[O-] ZINC001600741453 1168271913 /nfs/dbraw/zinc/27/19/13/1168271913.db2.gz FOQGHXZSGBBERR-UHFFFAOYSA-N -1 1 311.323 0.027 20 0 DCADMM Cc1ncsc1CCN1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001600759661 1168282097 /nfs/dbraw/zinc/28/20/97/1168282097.db2.gz SYFUBCYIDZTNTC-NWDGAFQWSA-N -1 1 323.418 0.763 20 0 DCADMM Cc1nc([C@H](C)NS(=O)(=O)c2ccccc2C(=O)[O-])n[nH]1 ZINC001600792863 1168297540 /nfs/dbraw/zinc/29/75/40/1168297540.db2.gz SUJMKWZMFNCHII-ZETCQYMHSA-N -1 1 310.335 0.851 20 0 DCADMM Cc1nnc(SCCC(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)[nH]1 ZINC001600799451 1168299991 /nfs/dbraw/zinc/29/99/91/1168299991.db2.gz QVTHVDFIRWEVFJ-JTQLQIEISA-N -1 1 324.366 0.271 20 0 DCADMM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC001600825374 1168477725 /nfs/dbraw/zinc/47/77/25/1168477725.db2.gz UFFPISGODONFNZ-SKDRFNHKSA-N -1 1 309.366 0.650 20 0 DCADMM Cc1oc(CN(C)C(=O)[C@@]2(C)C[C@H](O)CN2C)cc1C(=O)[O-] ZINC001600840229 1168482155 /nfs/dbraw/zinc/48/21/55/1168482155.db2.gz NZMNXFQJRAPQAT-ZUZCIYMTSA-N -1 1 310.350 0.700 20 0 DCADMM Cc1oc(CNC(=O)[C@H](C)CN2CCOCC2)cc1C(=O)[O-] ZINC001600847894 1168483852 /nfs/dbraw/zinc/48/38/52/1168483852.db2.gz QXBUQTCARHLLCI-SNVBAGLBSA-N -1 1 310.350 0.871 20 0 DCADMM Cn1cc(-c2[nH]ncc2C(=O)NC2CC(CC(=O)[O-])C2)cn1 ZINC001600925802 1168511048 /nfs/dbraw/zinc/51/10/48/1168511048.db2.gz WZVSIDZUCLTNTB-UHFFFAOYSA-N -1 1 303.322 0.793 20 0 DCADMM CN1CC(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)=NC1=O ZINC001600933219 1168514541 /nfs/dbraw/zinc/51/45/41/1168514541.db2.gz YATRTCCFMXFNBW-LLVKDONJSA-N -1 1 303.318 0.942 20 0 DCADMM Cn1ccc(-n2cc(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)nn2)n1 ZINC001600972021 1168538722 /nfs/dbraw/zinc/53/87/22/1168538722.db2.gz JCFVQIRFFAZUCG-GFCCVEGCSA-N -1 1 316.365 0.688 20 0 DCADMM Cn1nc(C(=O)[O-])cc1NC(=O)N1CCN(CC2CC2)CC1 ZINC001601004302 1168557731 /nfs/dbraw/zinc/55/77/31/1168557731.db2.gz PHSURRCTFRNEDW-UHFFFAOYSA-N -1 1 307.354 0.678 20 0 DCADMM Cn1nccc1[C@H](NCCOC(=O)Cc1ccccc1)C(=O)[O-] ZINC001601034430 1168573432 /nfs/dbraw/zinc/57/34/32/1168573432.db2.gz JZVVZFWHIONIJY-HNNXBMFYSA-N -1 1 317.345 0.921 20 0 DCADMM N[C@@H](CCC(=O)[O-])C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC001601175017 1168624150 /nfs/dbraw/zinc/62/41/50/1168624150.db2.gz WKWOTRBQIBMEOC-JTQLQIEISA-N -1 1 312.347 0.147 20 0 DCADMM NCC(=O)NCC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001601183326 1168628628 /nfs/dbraw/zinc/62/86/28/1168628628.db2.gz VNJOPIKEENEMAN-UHFFFAOYSA-N -1 1 311.363 0.018 20 0 DCADMM O=C(CCCCc1c[nH]nn1)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC001601264459 1168683976 /nfs/dbraw/zinc/68/39/76/1168683976.db2.gz QEXTWUZWDNFVAG-NSHDSACASA-N -1 1 323.378 0.786 20 0 DCADMM O=C([O-])[C@H](CNC(=O)CCc1c[nH]nn1)Cc1cccc(F)c1 ZINC001601286602 1168691644 /nfs/dbraw/zinc/69/16/44/1168691644.db2.gz FPCDWQKZZSGMHM-NSHDSACASA-N -1 1 320.324 0.936 20 0 DCADMM O=C([O-])[C@H](CNC(=O)CCc1cnn[nH]1)Cc1cccc(F)c1 ZINC001601286602 1168691645 /nfs/dbraw/zinc/69/16/45/1168691645.db2.gz FPCDWQKZZSGMHM-NSHDSACASA-N -1 1 320.324 0.936 20 0 DCADMM 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CN1CCN(CCNC(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC001606242515 1170134676 /nfs/dbraw/zinc/13/46/76/1170134676.db2.gz IBABFJGJBMNDOS-UHFFFAOYSA-N -1 1 309.341 0.501 20 0 DCADMM Cn1nccc1[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001606281868 1170147784 /nfs/dbraw/zinc/14/77/84/1170147784.db2.gz XTQNMGLELSLHRT-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nccc1[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001606281868 1170147786 /nfs/dbraw/zinc/14/77/86/1170147786.db2.gz XTQNMGLELSLHRT-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nccc1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001606281941 1170148025 /nfs/dbraw/zinc/14/80/25/1170148025.db2.gz YUEIWCAHLSQEOX-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nccc1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001606281941 1170148030 /nfs/dbraw/zinc/14/80/30/1170148030.db2.gz YUEIWCAHLSQEOX-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nncc1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001606286545 1170149553 /nfs/dbraw/zinc/14/95/53/1170149553.db2.gz RZUMJDQZSLCPDY-UHFFFAOYSA-N -1 1 312.337 0.084 20 0 DCADMM FC(F)c1nnc2n1CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001606299447 1170154461 /nfs/dbraw/zinc/15/44/61/1170154461.db2.gz AMVRTJUNCSPGAV-UHFFFAOYSA-N -1 1 320.267 0.206 20 0 DCADMM FC(F)c1nnc2n1CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001606299447 1170154464 /nfs/dbraw/zinc/15/44/64/1170154464.db2.gz AMVRTJUNCSPGAV-UHFFFAOYSA-N -1 1 320.267 0.206 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H](C(=O)[O-])C1 ZINC001606402339 1170184702 /nfs/dbraw/zinc/18/47/02/1170184702.db2.gz CFVRSMVTDURGAR-KOLCDFICSA-N -1 1 309.322 0.207 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001606410461 1170189843 /nfs/dbraw/zinc/18/98/43/1170189843.db2.gz REFJOJDVXBQLSR-BDAKNGLRSA-N -1 1 320.378 0.702 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2cc(C(=O)[O-])c(C)[nH]2)C[C@H]1C(=O)OC ZINC001606428895 1170197763 /nfs/dbraw/zinc/19/77/63/1170197763.db2.gz HIQJFCBFVXAMNI-VXGBXAGGSA-N -1 1 324.333 0.415 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@@H]1C(=O)Nc2ccccc21 ZINC001606444848 1170205059 /nfs/dbraw/zinc/20/50/59/1170205059.db2.gz DHZPXFPTPKCAFV-QMMMGPOBSA-N -1 1 324.304 0.412 20 0 DCADMM O=C(CCF)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001606518699 1170226946 /nfs/dbraw/zinc/22/69/46/1170226946.db2.gz UBLLJGBRNUIBKO-UHFFFAOYSA-N -1 1 305.317 0.270 20 0 DCADMM O=C(CCF)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001606518699 1170226950 /nfs/dbraw/zinc/22/69/50/1170226950.db2.gz UBLLJGBRNUIBKO-UHFFFAOYSA-N -1 1 305.317 0.270 20 0 DCADMM O=C(CCNc1cncc(-c2nnn[n-]2)n1)N1CCCCCC1 ZINC001606523656 1170227903 /nfs/dbraw/zinc/22/79/03/1170227903.db2.gz BTWJWCWMDNUHKT-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C(CCNc1cncc(-c2nn[n-]n2)n1)N1CCCCCC1 ZINC001606523656 1170227908 /nfs/dbraw/zinc/22/79/08/1170227908.db2.gz BTWJWCWMDNUHKT-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1C[C@H]1C(F)(F)F ZINC001606596706 1170240041 /nfs/dbraw/zinc/24/00/41/1170240041.db2.gz UOJMLSYKRPBZTQ-VXNVDRBHSA-N -1 1 312.255 0.871 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1C[C@H]1C(F)(F)F ZINC001606596706 1170240042 /nfs/dbraw/zinc/24/00/42/1170240042.db2.gz UOJMLSYKRPBZTQ-VXNVDRBHSA-N -1 1 312.255 0.871 20 0 DCADMM O=C(Cc1noc(-c2ccnc(-c3nnn[n-]3)c2)n1)NC1CC1 ZINC001606614754 1170243407 /nfs/dbraw/zinc/24/34/07/1170243407.db2.gz LCYVQDFWYBKGAK-UHFFFAOYSA-N -1 1 312.293 0.133 20 0 DCADMM O=C(Cc1noc(-c2ccnc(-c3nn[n-]n3)c2)n1)NC1CC1 ZINC001606614754 1170243413 /nfs/dbraw/zinc/24/34/13/1170243413.db2.gz LCYVQDFWYBKGAK-UHFFFAOYSA-N -1 1 312.293 0.133 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC=CC12CCCCC2 ZINC001606620564 1170245780 /nfs/dbraw/zinc/24/57/80/1170245780.db2.gz LFUAYSUBNLYOPU-UHFFFAOYSA-N -1 1 314.353 0.560 20 0 DCADMM O=C(NC1CC1)N[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001606654067 1170254038 /nfs/dbraw/zinc/25/40/38/1170254038.db2.gz YZYMFEYKWXUGKR-SNVBAGLBSA-N -1 1 314.353 0.302 20 0 DCADMM O=C(NC1CC1)N[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001606654067 1170254043 /nfs/dbraw/zinc/25/40/43/1170254043.db2.gz YZYMFEYKWXUGKR-SNVBAGLBSA-N -1 1 314.353 0.302 20 0 DCADMM O=C(N[C@@H]1CCC[C@H](CO)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606662119 1170255666 /nfs/dbraw/zinc/25/56/66/1170255666.db2.gz HHZPKXPYBYHKCM-VHSXEESVSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1CCC[C@H](CO)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606662119 1170255670 /nfs/dbraw/zinc/25/56/70/1170255670.db2.gz HHZPKXPYBYHKCM-VHSXEESVSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CC[C@@H](O)[C@@H](O)CC1)c1ccsc1-c1nnn[n-]1 ZINC001606684271 1170260880 /nfs/dbraw/zinc/26/08/80/1170260880.db2.gz WACXIFJAHNXPSH-LETLQTKMSA-N -1 1 323.378 0.322 20 0 DCADMM O=C(N[C@H]1CC[C@@H](O)[C@@H](O)CC1)c1ccsc1-c1nn[n-]n1 ZINC001606684271 1170260885 /nfs/dbraw/zinc/26/08/85/1170260885.db2.gz WACXIFJAHNXPSH-LETLQTKMSA-N -1 1 323.378 0.322 20 0 DCADMM O=C(NC[C@H](CO)Cc1ccco1)c1coc(-c2nnn[n-]2)c1 ZINC001606694067 1170263720 /nfs/dbraw/zinc/26/37/20/1170263720.db2.gz MMTWKJGOLDKRMX-SECBINFHSA-N -1 1 317.305 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O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CC(c2ccccc2)=NO1 ZINC001606945156 1170335278 /nfs/dbraw/zinc/33/52/78/1170335278.db2.gz AVWBJQLWAFZAKT-NSHDSACASA-N -1 1 324.304 0.722 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1coc(-c2cccnc2)n1 ZINC001606945947 1170336152 /nfs/dbraw/zinc/33/61/52/1170336152.db2.gz SWJJBICFFKZZTI-UHFFFAOYSA-N -1 1 323.276 0.892 20 0 DCADMM O=C([N-]c1nc2cnccn2n1)c1sccc1-c1nn[nH]n1 ZINC001606953065 1170337546 /nfs/dbraw/zinc/33/75/46/1170337546.db2.gz LYTDRHVQFDGIOG-UHFFFAOYSA-N -1 1 313.306 0.618 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1C[C@H]2C[C@@]2(CO)C1 ZINC001607022334 1170359449 /nfs/dbraw/zinc/35/94/49/1170359449.db2.gz MPVCAVWOXZOQPF-CLAHSXSESA-N -1 1 303.297 0.460 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1C[C@H]2C[C@@]2(CO)C1 ZINC001607022334 1170359452 /nfs/dbraw/zinc/35/94/52/1170359452.db2.gz MPVCAVWOXZOQPF-CLAHSXSESA-N -1 1 303.297 0.460 20 0 DCADMM O=C1C[C@@H](Oc2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2)N1 ZINC001607041462 1170365575 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BEINFABHOYNZFD-UHFFFAOYSA-N -1 1 306.326 0.343 20 0 DCADMM CCc1cnccc1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609254008 1170899431 /nfs/dbraw/zinc/89/94/31/1170899431.db2.gz FPCQXWRPJVKMDA-MRVPVSSYSA-N -1 1 313.325 0.037 20 0 DCADMM CN(C(=O)c1csc(-c2nn[n-]n2)c1)C1(C(N)=O)CCCC1 ZINC001609262925 1170902540 /nfs/dbraw/zinc/90/25/40/1170902540.db2.gz DCSFOUWXKDKOKJ-UHFFFAOYSA-N -1 1 320.378 0.798 20 0 DCADMM CN(C)C(=O)O[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609264987 1170904338 /nfs/dbraw/zinc/90/43/38/1170904338.db2.gz NWALFYSOQMRQHX-SNVBAGLBSA-N -1 1 303.326 0.539 20 0 DCADMM CN(C)C(=O)O[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609264987 1170904347 /nfs/dbraw/zinc/90/43/47/1170904347.db2.gz NWALFYSOQMRQHX-SNVBAGLBSA-N -1 1 303.326 0.539 20 0 DCADMM CN(CCCn1cnc(-c2nn[n-]n2)cc1=O)c1ccccc1 ZINC001609275735 1170906553 /nfs/dbraw/zinc/90/65/53/1170906553.db2.gz GDKQRNILBMSSFC-UHFFFAOYSA-N -1 1 311.349 0.950 20 0 DCADMM CN(C[C@H](O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC001609273551 1170906731 /nfs/dbraw/zinc/90/67/31/1170906731.db2.gz PLPRXRRSBXUVFR-GFCCVEGCSA-N -1 1 311.349 0.697 20 0 DCADMM CN(C[C@H](O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC001609273551 1170906733 /nfs/dbraw/zinc/90/67/33/1170906733.db2.gz PLPRXRRSBXUVFR-GFCCVEGCSA-N -1 1 311.349 0.697 20 0 DCADMM CN(CC1(O)CCCC1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609273663 1170907105 /nfs/dbraw/zinc/90/71/05/1170907105.db2.gz WCWZRZKDZPMQEW-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM CN(CC1(O)CCCC1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609273663 1170907107 /nfs/dbraw/zinc/90/71/07/1170907107.db2.gz WCWZRZKDZPMQEW-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM COC(=O)C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001609298271 1170922032 /nfs/dbraw/zinc/92/20/32/1170922032.db2.gz MDTHXCCIBJVBJH-SECBINFHSA-N -1 1 323.378 0.692 20 0 DCADMM CO[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001609310593 1170926879 /nfs/dbraw/zinc/92/68/79/1170926879.db2.gz JRHUJMMSFMRASI-QMMMGPOBSA-N -1 1 316.243 0.569 20 0 DCADMM CO[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001609310593 1170926884 /nfs/dbraw/zinc/92/68/84/1170926884.db2.gz JRHUJMMSFMRASI-QMMMGPOBSA-N -1 1 316.243 0.569 20 0 DCADMM COC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccco1 ZINC001609317564 1170931655 /nfs/dbraw/zinc/93/16/55/1170931655.db2.gz DRFCTYIMCKSVBC-LLVKDONJSA-N -1 1 314.305 0.972 20 0 DCADMM COC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccco1 ZINC001609317564 1170931661 /nfs/dbraw/zinc/93/16/61/1170931661.db2.gz DRFCTYIMCKSVBC-LLVKDONJSA-N -1 1 314.305 0.972 20 0 DCADMM COCCCNC(=O)CN(C)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609323248 1170938300 /nfs/dbraw/zinc/93/83/00/1170938300.db2.gz MXKQPLYVGORAKQ-UHFFFAOYSA-N -1 1 319.369 0.159 20 0 DCADMM COCCCNC(=O)CN(C)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609323248 1170938306 /nfs/dbraw/zinc/93/83/06/1170938306.db2.gz MXKQPLYVGORAKQ-UHFFFAOYSA-N -1 1 319.369 0.159 20 0 DCADMM COc1ccnc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC001609364833 1170948897 /nfs/dbraw/zinc/94/88/97/1170948897.db2.gz PHEWNBOAAKQNQK-UHFFFAOYSA-N -1 1 316.329 0.015 20 0 DCADMM COc1ccc2[nH]c(C(=O)n3ncc(-c4nn[n-]n4)c3N)cc2c1 ZINC001609359522 1170949212 /nfs/dbraw/zinc/94/92/12/1170949212.db2.gz UZMHRURGYAQAEQ-UHFFFAOYSA-N -1 1 324.304 0.824 20 0 DCADMM CSc1cncc(NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001609373278 1170951828 /nfs/dbraw/zinc/95/18/28/1170951828.db2.gz PARNVCNMQDUHMP-UHFFFAOYSA-N -1 1 304.343 0.082 20 0 DCADMM CSC1(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001609369421 1170952100 /nfs/dbraw/zinc/95/21/00/1170952100.db2.gz ZZHHQIILGKHKCR-ZETCQYMHSA-N -1 1 308.371 0.031 20 0 DCADMM Cc1cc(N[C@@H]2C[C@H]3CCCCN3C2=O)cc(-c2nnn[n-]2)n1 ZINC001609408531 1170969377 /nfs/dbraw/zinc/96/93/77/1170969377.db2.gz AXXDMAWRAFBQKF-DGCLKSJQSA-N -1 1 313.365 0.557 20 0 DCADMM Cc1cc(N[C@@H]2C[C@H]3CCCCN3C2=O)cc(-c2nn[n-]n2)n1 ZINC001609408531 1170969381 /nfs/dbraw/zinc/96/93/81/1170969381.db2.gz AXXDMAWRAFBQKF-DGCLKSJQSA-N -1 1 313.365 0.557 20 0 DCADMM Cc1ccn(CC(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)n1 ZINC001609437742 1170975751 /nfs/dbraw/zinc/97/57/51/1170975751.db2.gz XMXTUMILYLHSCL-UHFFFAOYSA-N -1 1 301.314 0.052 20 0 DCADMM Cc1ccn(CC(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)n1 ZINC001609437742 1170975756 /nfs/dbraw/zinc/97/57/56/1170975756.db2.gz XMXTUMILYLHSCL-UHFFFAOYSA-N -1 1 301.314 0.052 20 0 DCADMM Cc1nc([C@H](C)OC(=O)c2ccnc(-c3nnn[n-]3)c2)no1 ZINC001609449247 1170980395 /nfs/dbraw/zinc/98/03/95/1170980395.db2.gz UFLSCTNCNVUUSG-LURJTMIESA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nc([C@H](C)OC(=O)c2ccnc(-c3nn[n-]n3)c2)no1 ZINC001609449247 1170980398 /nfs/dbraw/zinc/98/03/98/1170980398.db2.gz UFLSCTNCNVUUSG-LURJTMIESA-N -1 1 301.266 0.871 20 0 DCADMM Cc1noc([C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001609462951 1170986506 /nfs/dbraw/zinc/98/65/06/1170986506.db2.gz GMYBHWBRYAWVKZ-SECBINFHSA-N -1 1 313.325 0.732 20 0 DCADMM Cc1noc([C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001609462951 1170986510 /nfs/dbraw/zinc/98/65/10/1170986510.db2.gz GMYBHWBRYAWVKZ-SECBINFHSA-N -1 1 313.325 0.732 20 0 DCADMM Cc1nsc(N2C[C@@H](CO)OC(C)(C)C2)c1-c1nn[n-]n1 ZINC001609463944 1170987659 /nfs/dbraw/zinc/98/76/59/1170987659.db2.gz JROGJAINBKLLQQ-QMMMGPOBSA-N -1 1 310.383 0.608 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](CC(N)=O)C1 ZINC001609467049 1170988918 /nfs/dbraw/zinc/98/89/18/1170988918.db2.gz RYQAJTRPUSPPTR-QMMMGPOBSA-N -1 1 304.310 0.106 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](CC(N)=O)C1 ZINC001609467049 1170988926 /nfs/dbraw/zinc/98/89/26/1170988926.db2.gz RYQAJTRPUSPPTR-QMMMGPOBSA-N -1 1 304.310 0.106 20 0 DCADMM Cc1onc(CC(=O)Nc2nncn2C2CC2)c1-c1nnn[n-]1 ZINC001609471391 1170989261 /nfs/dbraw/zinc/98/92/61/1170989261.db2.gz SZFMSRFCXJJXML-UHFFFAOYSA-N -1 1 315.297 0.271 20 0 DCADMM Cc1onc(CC(=O)Nc2nncn2C2CC2)c1-c1nn[n-]n1 ZINC001609471391 1170989269 /nfs/dbraw/zinc/98/92/69/1170989269.db2.gz SZFMSRFCXJJXML-UHFFFAOYSA-N -1 1 315.297 0.271 20 0 DCADMM Cc1onc(CC(=O)N2CC([C@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC001609470807 1170990354 /nfs/dbraw/zinc/99/03/54/1170990354.db2.gz VKFKVCBBLGMPBU-VIFPVBQESA-N -1 1 318.337 0.201 20 0 DCADMM Cc1onc(CC(=O)N2CC([C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001609470807 1170990357 /nfs/dbraw/zinc/99/03/57/1170990357.db2.gz VKFKVCBBLGMPBU-VIFPVBQESA-N -1 1 318.337 0.201 20 0 DCADMM Cn1cc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)ccc1=O ZINC001609478332 1170991037 /nfs/dbraw/zinc/99/10/37/1170991037.db2.gz SNFOYBJLAAJPLJ-UHFFFAOYSA-N -1 1 322.288 0.677 20 0 DCADMM Cn1cc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)ccc1=O ZINC001609478332 1170991039 /nfs/dbraw/zinc/99/10/39/1170991039.db2.gz SNFOYBJLAAJPLJ-UHFFFAOYSA-N -1 1 322.288 0.677 20 0 DCADMM Clc1nc(N2C[C@@H]3COC[C@H](C2)O3)sc1-c1nnn[n-]1 ZINC001609474699 1170991523 /nfs/dbraw/zinc/99/15/23/1170991523.db2.gz OBMJIAXSSUTRDZ-OLQVQODUSA-N -1 1 314.758 0.581 20 0 DCADMM Clc1nc(N2C[C@@H]3COC[C@H](C2)O3)sc1-c1nn[n-]n1 ZINC001609474699 1170991526 /nfs/dbraw/zinc/99/15/26/1170991526.db2.gz OBMJIAXSSUTRDZ-OLQVQODUSA-N -1 1 314.758 0.581 20 0 DCADMM Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609481373 1170994725 /nfs/dbraw/zinc/99/47/25/1170994725.db2.gz PWXIFWPVVVIZGX-MRVPVSSYSA-N -1 1 314.309 0.566 20 0 DCADMM Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609481373 1170994729 /nfs/dbraw/zinc/99/47/29/1170994729.db2.gz PWXIFWPVVVIZGX-MRVPVSSYSA-N -1 1 314.309 0.566 20 0 DCADMM NC(=O)c1csc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001609505395 1171003881 /nfs/dbraw/zinc/00/38/81/1171003881.db2.gz CMXFZQFMMODOCS-UHFFFAOYSA-N -1 1 316.306 0.069 20 0 DCADMM NC(=O)c1csc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001609505395 1171003888 /nfs/dbraw/zinc/00/38/88/1171003888.db2.gz CMXFZQFMMODOCS-UHFFFAOYSA-N -1 1 316.306 0.069 20 0 DCADMM NC(=O)c1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n[nH]1 ZINC001609504826 1171005021 /nfs/dbraw/zinc/00/50/21/1171005021.db2.gz MACJJBRHBFDODJ-UHFFFAOYSA-N -1 1 316.256 0.080 20 0 DCADMM NC(=O)c1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n[nH]1 ZINC001609504826 1171005025 /nfs/dbraw/zinc/00/50/25/1171005025.db2.gz MACJJBRHBFDODJ-UHFFFAOYSA-N -1 1 316.256 0.080 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1c[nH]c(=O)c2ccccc12 ZINC001609510336 1171005592 /nfs/dbraw/zinc/00/55/92/1171005592.db2.gz DDDYUKOSXNPWFM-UHFFFAOYSA-N -1 1 322.288 0.588 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(Cl)c1 ZINC001609538032 1171011798 /nfs/dbraw/zinc/01/17/98/1171011798.db2.gz MLYPASFVWQTSEU-UHFFFAOYSA-N -1 1 304.701 0.750 20 0 DCADMM O=C(Cn1cnnc1-c1nn[n-]n1)Nc1ccc(F)c(Cl)c1 ZINC001609538233 1171012535 /nfs/dbraw/zinc/01/25/35/1171012535.db2.gz BYPGEVNXXLLQDH-UHFFFAOYSA-N -1 1 322.691 0.889 20 0 DCADMM O=C(NCCC1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609547658 1171016491 /nfs/dbraw/zinc/01/64/91/1171016491.db2.gz SFSPHJYMBCIZFA-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCC1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609547658 1171016499 /nfs/dbraw/zinc/01/64/99/1171016499.db2.gz SFSPHJYMBCIZFA-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001609543771 1171017774 /nfs/dbraw/zinc/01/77/74/1171017774.db2.gz 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CCOCCN1CC2(C1)CN(C(=O)c1ncccc1[O-])CCO2 ZINC001733783487 1186445189 /nfs/dbraw/zinc/44/51/89/1186445189.db2.gz GTHDJHIYKYLIJA-UHFFFAOYSA-N -1 1 321.377 0.351 20 0 DCADMM COCCCC(=O)N(C)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001735477255 1186901027 /nfs/dbraw/zinc/90/10/27/1186901027.db2.gz NFAHUKSTDZNNOM-UHFFFAOYSA-N -1 1 321.377 0.933 20 0 DCADMM Cc1nn(C)c(F)c1C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001736722877 1187065402 /nfs/dbraw/zinc/06/54/02/1187065402.db2.gz IFXHNLWTLDGDIJ-UHFFFAOYSA-N -1 1 321.312 0.128 20 0 DCADMM CCCCOCC(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC001737992585 1187439929 /nfs/dbraw/zinc/43/99/29/1187439929.db2.gz SPFCPTXZFANTCS-UHFFFAOYSA-N -1 1 307.350 0.545 20 0 DCADMM Cc1c[nH]c(C(=O)NCC=CCNC(=O)c2ncccc2[O-])n1 ZINC001738490598 1187571214 /nfs/dbraw/zinc/57/12/14/1187571214.db2.gz GTDQWRSPDHDGHK-IHWYPQMZSA-N -1 1 315.333 0.535 20 0 DCADMM CCCOCC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001744190950 1188188454 /nfs/dbraw/zinc/18/84/54/1188188454.db2.gz CPNWXHLSKCQFBM-LBPRGKRZSA-N -1 1 321.377 0.838 20 0 DCADMM Cc1nc(C(=O)NC/C=C\CNC(=O)c2ncccc2[O-])co1 ZINC001747182050 1188247121 /nfs/dbraw/zinc/24/71/21/1188247121.db2.gz URHDAEPYVKVCPG-IHWYPQMZSA-N -1 1 316.317 0.800 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001754052734 1188723466 /nfs/dbraw/zinc/72/34/66/1188723466.db2.gz DKDPPVDBJXXBSR-SDDRHHMPSA-N -1 1 307.398 0.885 20 0 DCADMM Cc1n[nH]c(C(=O)NCC=CCNCC(=O)NC(C)(C)C)c1[O-] ZINC001754112929 1188744373 /nfs/dbraw/zinc/74/43/73/1188744373.db2.gz RWKMIBKMKSPLEF-WAYWQWQTSA-N -1 1 323.397 0.214 20 0 DCADMM CCOCCC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])C[C@@H]1C ZINC001756584551 1189406418 /nfs/dbraw/zinc/40/64/18/1189406418.db2.gz SHPLGJIFGZPVMR-NWDGAFQWSA-N -1 1 321.377 0.933 20 0 DCADMM Cc1[nH]ccc1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001758151189 1189756418 /nfs/dbraw/zinc/75/64/18/1189756418.db2.gz JQALAPJINFMJJE-UHFFFAOYSA-N -1 1 302.334 0.974 20 0 DCADMM O=C(NCCCNC(=O)[C@]1(F)CCOC1)c1ncccc1[O-] ZINC001758159402 1189759864 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CCCc1cc(=O)n2[n-]c(NC(=O)C3=COCCO3)nc2n1 ZINC001771811996 1190509136 /nfs/dbraw/zinc/50/91/36/1190509136.db2.gz NHTUFNMUMWLIPW-UHFFFAOYSA-N -1 1 305.294 0.197 20 0 DCADMM O=C(C[C@@H]1CCCC(=O)N1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001771849128 1190526224 /nfs/dbraw/zinc/52/62/24/1190526224.db2.gz YKEVTIWZMHGDBR-VIFPVBQESA-N -1 1 321.299 0.182 20 0 DCADMM CCOC[C@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2)CCO1 ZINC001771920004 1190556794 /nfs/dbraw/zinc/55/67/94/1190556794.db2.gz ICUBXDBEHXJVBD-CHWSQXEVSA-N -1 1 314.382 0.047 20 0 DCADMM Cn1c(-c2noc(=O)[n-]2)nnc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001772177915 1190623013 /nfs/dbraw/zinc/62/30/13/1190623013.db2.gz LPLKLUMYHSSCKF-HTQZYQBOSA-N -1 1 308.367 0.348 20 0 DCADMM CCn1c(-c2nnn[n-]2)nnc1N1CC[C@H]([C@H]2CCCO2)C1 ZINC001772184892 1190624743 /nfs/dbraw/zinc/62/47/43/1190624743.db2.gz ZCZDSYQDBIKXQK-VHSXEESVSA-N -1 1 304.358 0.483 20 0 DCADMM CCn1c(-c2nn[n-]n2)nnc1N1CC[C@H]([C@H]2CCCO2)C1 ZINC001772184892 1190624745 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O=C(C=C1CCC1)NCC1(O)CN(C(=O)c2ncccc2[O-])C1 ZINC001042483871 751682310 /nfs/dbraw/zinc/68/23/10/751682310.db2.gz HZKGWRDIUKDABF-UHFFFAOYSA-N -1 1 317.345 0.201 20 0 DCADMM CC[C@H](C)C(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1 ZINC001042712852 751858508 /nfs/dbraw/zinc/85/85/08/751858508.db2.gz JJEHMRAXNGPEFS-JTQLQIEISA-N -1 1 307.350 0.136 20 0 DCADMM CN(C(=O)[C@H]1CCCC12CC2)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001043075748 752064152 /nfs/dbraw/zinc/06/41/52/752064152.db2.gz GBVLGEVUHXQHKV-GFCCVEGCSA-N -1 1 319.409 0.331 20 0 DCADMM CSCC[C@H](NC(=O)c1nccnc1Cl)c1nn[n-]n1 ZINC001167449322 747228576 /nfs/dbraw/zinc/22/85/76/747228576.db2.gz UVXYGARACUYMQV-LURJTMIESA-N -1 1 313.774 0.867 20 0 DCADMM C[C@@H]1CCN(C(=O)c2ncc[nH]2)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001087163569 747281924 /nfs/dbraw/zinc/28/19/24/747281924.db2.gz FLNCPQKEFMRBAE-ZJUUUORDSA-N -1 1 319.369 0.264 20 0 DCADMM O=C([O-])C(=O)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001143420137 747328537 /nfs/dbraw/zinc/32/85/37/747328537.db2.gz SRMCNJDWIXTFSA-AAEUAGOBSA-N -1 1 308.309 0.574 20 0 DCADMM Cc1n[nH]c(C(=O)NCCNCc2cccc(Cl)n2)c1[O-] ZINC001125728247 747541941 /nfs/dbraw/zinc/54/19/41/747541941.db2.gz DXDSUSMXVPNLJI-UHFFFAOYSA-N -1 1 309.757 0.992 20 0 DCADMM CSc1nc(NC(=O)[C@H]2CCCS2(=O)=O)cc(=O)[n-]1 ZINC001143467443 747728028 /nfs/dbraw/zinc/72/80/28/747728028.db2.gz LCQXZWWRNLLDGK-ZCFIWIBFSA-N -1 1 303.365 0.420 20 0 DCADMM CO[C@@H](C)c1noc(CNCCNC(=O)c2ncccc2[O-])n1 ZINC001126119499 748227737 /nfs/dbraw/zinc/22/77/37/748227737.db2.gz UVRJSEQEWMUSRN-VIFPVBQESA-N -1 1 321.337 0.397 20 0 DCADMM CC(C)c1noc(CNCCNC(=O)c2ncccc2[O-])n1 ZINC001126124927 748229921 /nfs/dbraw/zinc/22/99/21/748229921.db2.gz IQXYJBTWXAGNHU-UHFFFAOYSA-N -1 1 305.338 0.813 20 0 DCADMM CO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059260481 748894207 /nfs/dbraw/zinc/89/42/07/748894207.db2.gz YFTXNYQIQNTDSH-NWDGAFQWSA-N -1 1 321.377 0.791 20 0 DCADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N)c(N)c2)cn1 ZINC001203439035 748930887 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/nfs/dbraw/zinc/80/82/66/597808266.db2.gz CNGWELOUNJGXQG-SECBINFHSA-N -1 1 305.334 0.057 20 0 DCADMM Cc1ccn(CC(=O)NC2CCCC2)c(=O)c1-c1nn[n-]n1 ZINC000822369270 607348241 /nfs/dbraw/zinc/34/82/41/607348241.db2.gz FCSHDUSOUWJCSE-UHFFFAOYSA-N -1 1 302.338 0.396 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC000736290569 598259513 /nfs/dbraw/zinc/25/95/13/598259513.db2.gz QXNRHDMCKBWDNQ-IUCAKERBSA-N -1 1 324.366 0.060 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC000736290569 598259516 /nfs/dbraw/zinc/25/95/16/598259516.db2.gz QXNRHDMCKBWDNQ-IUCAKERBSA-N -1 1 324.366 0.060 20 0 DCADMM O=C1CCCCCN1CCCNc1nccnc1-c1nnn[n-]1 ZINC000738299826 598337748 /nfs/dbraw/zinc/33/77/48/598337748.db2.gz CACYATZYVZYVLJ-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C1CCCCCN1CCCNc1nccnc1-c1nn[n-]n1 ZINC000738299826 598337749 /nfs/dbraw/zinc/33/77/49/598337749.db2.gz CACYATZYVZYVLJ-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(NC2CCC3(CC2)OCCO3)n1 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FC(F)(F)CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737627950 599400931 /nfs/dbraw/zinc/40/09/31/599400931.db2.gz SKTVIZQGDWCMAG-UHFFFAOYSA-N -1 1 313.287 0.946 20 0 DCADMM FC(F)(F)CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737627950 599400934 /nfs/dbraw/zinc/40/09/34/599400934.db2.gz SKTVIZQGDWCMAG-UHFFFAOYSA-N -1 1 313.287 0.946 20 0 DCADMM C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736760687 599712264 /nfs/dbraw/zinc/71/22/64/599712264.db2.gz DFXHSOKAFKUGSV-JQWIXIFHSA-N -1 1 319.361 0.909 20 0 DCADMM COCCS(=O)(=O)CCCN1CCC(CC(=O)[O-])CC1 ZINC000737825284 599770828 /nfs/dbraw/zinc/77/08/28/599770828.db2.gz HNYLAHUKLUXDEK-UHFFFAOYSA-N -1 1 307.412 0.624 20 0 DCADMM CCOCCN1CCN([C@@H](C)C(=O)NCC(=O)[O-])C[C@@H]1CC ZINC000737175778 599916218 /nfs/dbraw/zinc/91/62/18/599916218.db2.gz DHZPACBVDURYGK-STQMWFEESA-N -1 1 315.414 0.008 20 0 DCADMM C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000736587330 600076319 /nfs/dbraw/zinc/07/63/19/600076319.db2.gz 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SZBICOVXQZBOIF-VIFPVBQESA-N -1 1 322.394 0.379 20 0 DCADMM O=C(N[C@H]1CCc2n[nH]cc2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823162592 606562515 /nfs/dbraw/zinc/56/25/15/606562515.db2.gz XFAFAQIXWUAHDO-QMMMGPOBSA-N -1 1 315.362 0.939 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ncccc1F ZINC000821601763 606592046 /nfs/dbraw/zinc/59/20/46/606592046.db2.gz YLMALBRDXYFZNP-UHFFFAOYSA-N -1 1 317.332 0.775 20 0 DCADMM COCCOC1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821692234 606643410 /nfs/dbraw/zinc/64/34/10/606643410.db2.gz ROMKLZRPDFFYOM-UHFFFAOYSA-N -1 1 310.745 0.767 20 0 DCADMM COCCOC1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821692234 606643411 /nfs/dbraw/zinc/64/34/11/606643411.db2.gz ROMKLZRPDFFYOM-UHFFFAOYSA-N -1 1 310.745 0.767 20 0 DCADMM CCC(=O)N[C@@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820837753 606646787 /nfs/dbraw/zinc/64/67/87/606646787.db2.gz MUTQIEWSFRNKEP-QMMMGPOBSA-N -1 1 304.310 0.220 20 0 DCADMM CCC(=O)N[C@@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820837753 606646788 /nfs/dbraw/zinc/64/67/88/606646788.db2.gz MUTQIEWSFRNKEP-QMMMGPOBSA-N -1 1 304.310 0.220 20 0 DCADMM O=C(COC[C@H]1CCCO1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823032080 606649213 /nfs/dbraw/zinc/64/92/13/606649213.db2.gz MPYWOVAFDZYJOJ-LLVKDONJSA-N -1 1 319.321 0.501 20 0 DCADMM O=C(COC[C@H]1CCCO1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823032080 606649214 /nfs/dbraw/zinc/64/92/14/606649214.db2.gz MPYWOVAFDZYJOJ-LLVKDONJSA-N -1 1 319.321 0.501 20 0 DCADMM O=C(COCC(F)(F)F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823031953 606652902 /nfs/dbraw/zinc/65/29/02/606652902.db2.gz KVTKSFKDBGEPPY-UHFFFAOYSA-N -1 1 317.227 0.884 20 0 DCADMM O=C(COCC(F)(F)F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823031953 606652903 /nfs/dbraw/zinc/65/29/03/606652903.db2.gz KVTKSFKDBGEPPY-UHFFFAOYSA-N -1 1 317.227 0.884 20 0 DCADMM O=S(=O)(NC1(C2CC2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823567062 606738380 /nfs/dbraw/zinc/73/83/80/606738380.db2.gz ODLQBAHVKHEJAC-UHFFFAOYSA-N -1 1 306.351 0.483 20 0 DCADMM O=S(=O)(NC1(C2CC2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823567062 606738382 /nfs/dbraw/zinc/73/83/82/606738382.db2.gz ODLQBAHVKHEJAC-UHFFFAOYSA-N -1 1 306.351 0.483 20 0 DCADMM O=S(=O)(NCCC1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572686 606745177 /nfs/dbraw/zinc/74/51/77/606745177.db2.gz KUOUJUSUEFJVQO-UHFFFAOYSA-N -1 1 308.367 0.730 20 0 DCADMM O=S(=O)(NCCC1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572686 606745179 /nfs/dbraw/zinc/74/51/79/606745179.db2.gz KUOUJUSUEFJVQO-UHFFFAOYSA-N -1 1 308.367 0.730 20 0 DCADMM COC(=O)c1ccc(Cn2cnc(-c3nn[n-]n3)n2)cc1F ZINC000821669328 606792711 /nfs/dbraw/zinc/79/27/11/606792711.db2.gz GUEALRCRRKPVCH-UHFFFAOYSA-N -1 1 303.257 0.432 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1nccn2ccnc12 ZINC000823382856 607107683 /nfs/dbraw/zinc/10/76/83/607107683.db2.gz FEIGYHUMCHGEEL-UHFFFAOYSA-N -1 1 313.306 0.618 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1nccn2ccnc12 ZINC000823382856 607107685 /nfs/dbraw/zinc/10/76/85/607107685.db2.gz FEIGYHUMCHGEEL-UHFFFAOYSA-N -1 1 313.306 0.618 20 0 DCADMM C[C@@H](CCc1ccco1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820252734 607205808 /nfs/dbraw/zinc/20/58/08/607205808.db2.gz COTQWCOOIXYFBB-VIFPVBQESA-N -1 1 316.325 0.189 20 0 DCADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822274678 607210643 /nfs/dbraw/zinc/21/06/43/607210643.db2.gz FUGSUTIPPBUAGZ-GFCCVEGCSA-N -1 1 324.348 0.570 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H]1CCc2ccccc21 ZINC000823127326 607216303 /nfs/dbraw/zinc/21/63/03/607216303.db2.gz ZZFRDHQWTMKLOS-LLVKDONJSA-N -1 1 324.348 0.304 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1ccco1 ZINC000823126993 607217724 /nfs/dbraw/zinc/21/77/24/607217724.db2.gz QAZUVVDPNFMZIA-SECBINFHSA-N -1 1 314.309 0.415 20 0 DCADMM c1ccc(N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)nc1 ZINC000826522406 607810645 /nfs/dbraw/zinc/81/06/45/607810645.db2.gz YEZQPVXYOARFSA-JTQLQIEISA-N -1 1 309.337 0.743 20 0 DCADMM c1ccc(N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)nc1 ZINC000826522406 607810646 /nfs/dbraw/zinc/81/06/46/607810646.db2.gz YEZQPVXYOARFSA-JTQLQIEISA-N -1 1 309.337 0.743 20 0 DCADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCO1 ZINC000825134319 607912966 /nfs/dbraw/zinc/91/29/66/607912966.db2.gz SPXFLTAVOIXGPE-ZYHUDNBSSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCO1 ZINC000825134319 607912967 /nfs/dbraw/zinc/91/29/67/607912967.db2.gz SPXFLTAVOIXGPE-ZYHUDNBSSA-N -1 1 302.338 0.949 20 0 DCADMM C[C@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCOCC1 ZINC000824052522 607927148 /nfs/dbraw/zinc/92/71/48/607927148.db2.gz OSQWAXNKDGUUPW-QMMMGPOBSA-N -1 1 305.342 0.601 20 0 DCADMM C[C@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCOCC1 ZINC000824052522 607927149 /nfs/dbraw/zinc/92/71/49/607927149.db2.gz OSQWAXNKDGUUPW-QMMMGPOBSA-N -1 1 305.342 0.601 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NC(=O)NC1CCCCC1 ZINC000826425064 608013608 /nfs/dbraw/zinc/01/36/08/608013608.db2.gz OJGCBEYBWMEESP-UHFFFAOYSA-N -1 1 318.341 0.222 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NC(=O)NC1CCCCC1 ZINC000826425064 608013609 /nfs/dbraw/zinc/01/36/09/608013609.db2.gz OJGCBEYBWMEESP-UHFFFAOYSA-N -1 1 318.341 0.222 20 0 DCADMM O=C(NCCn1ccnc1-c1nnn[n-]1)OCC(F)(F)F ZINC000826440490 608013685 /nfs/dbraw/zinc/01/36/85/608013685.db2.gz OEIKZQVPNLEXFG-UHFFFAOYSA-N -1 1 305.220 0.352 20 0 DCADMM O=C(NCCn1ccnc1-c1nn[n-]n1)OCC(F)(F)F ZINC000826440490 608013686 /nfs/dbraw/zinc/01/36/86/608013686.db2.gz OEIKZQVPNLEXFG-UHFFFAOYSA-N -1 1 305.220 0.352 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000824885616 608209094 /nfs/dbraw/zinc/20/90/94/608209094.db2.gz TVQAYYARECNOAY-RKDXNWHRSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000824885616 608209095 /nfs/dbraw/zinc/20/90/95/608209095.db2.gz TVQAYYARECNOAY-RKDXNWHRSA-N -1 1 320.357 0.537 20 0 DCADMM Cc1nnc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)s1 ZINC000826336104 608290604 /nfs/dbraw/zinc/29/06/04/608290604.db2.gz NNYXMLRNATWOGI-UHFFFAOYSA-N -1 1 304.339 0.248 20 0 DCADMM O=C(CNc1ccc(-c2nnn[n-]2)nn1)NCCc1ccccc1 ZINC000826414318 608407363 /nfs/dbraw/zinc/40/73/63/608407363.db2.gz PKPNHAGSVHRRJL-UHFFFAOYSA-N -1 1 324.348 0.428 20 0 DCADMM O=C(CNc1ccc(-c2nn[n-]n2)nn1)NCCc1ccccc1 ZINC000826414318 608407365 /nfs/dbraw/zinc/40/73/65/608407365.db2.gz PKPNHAGSVHRRJL-UHFFFAOYSA-N -1 1 324.348 0.428 20 0 DCADMM CCOC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825517794 608408086 /nfs/dbraw/zinc/40/80/86/608408086.db2.gz MXGZSADSPHRAOQ-UHFFFAOYSA-N -1 1 318.341 0.325 20 0 DCADMM CCOC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825517794 608408087 /nfs/dbraw/zinc/40/80/87/608408087.db2.gz MXGZSADSPHRAOQ-UHFFFAOYSA-N -1 1 318.341 0.325 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC000826359776 608408511 /nfs/dbraw/zinc/40/85/11/608408511.db2.gz QAEVAZVWLNVXGU-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC000826359776 608408512 /nfs/dbraw/zinc/40/85/12/608408512.db2.gz QAEVAZVWLNVXGU-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM FC(F)CN1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826369536 608408541 /nfs/dbraw/zinc/40/85/41/608408541.db2.gz HBLIFUHEUHMBLN-UHFFFAOYSA-N -1 1 310.312 0.798 20 0 DCADMM FC(F)CN1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826369536 608408542 /nfs/dbraw/zinc/40/85/42/608408542.db2.gz HBLIFUHEUHMBLN-UHFFFAOYSA-N -1 1 310.312 0.798 20 0 DCADMM CC(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000823989445 608409529 /nfs/dbraw/zinc/40/95/29/608409529.db2.gz YCYCMCATTKXJCA-UHFFFAOYSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000823989445 608409531 /nfs/dbraw/zinc/40/95/31/608409531.db2.gz YCYCMCATTKXJCA-UHFFFAOYSA-N -1 1 302.342 0.516 20 0 DCADMM CCN(CC)C(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825399491 608413409 /nfs/dbraw/zinc/41/34/09/608413409.db2.gz VTUXEUIKIXBLNS-LLVKDONJSA-N -1 1 316.369 0.494 20 0 DCADMM CCN(CC)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825399491 608413411 /nfs/dbraw/zinc/41/34/11/608413411.db2.gz VTUXEUIKIXBLNS-LLVKDONJSA-N -1 1 316.369 0.494 20 0 DCADMM CC(C)(C)c1nnc(Sc2ccc(-c3nnn[n-]3)nn2)n1N ZINC000824142448 608432697 /nfs/dbraw/zinc/43/26/97/608432697.db2.gz SYIGWSHWZRHBPT-UHFFFAOYSA-N -1 1 318.370 0.411 20 0 DCADMM CC(C)(C)c1nnc(Sc2ccc(-c3nn[n-]n3)nn2)n1N ZINC000824142448 608432698 /nfs/dbraw/zinc/43/26/98/608432698.db2.gz SYIGWSHWZRHBPT-UHFFFAOYSA-N -1 1 318.370 0.411 20 0 DCADMM c1cc(N2CCC[C@H]([C@H]3CCOC3)C2)nnc1-c1nnn[n-]1 ZINC000826517372 608436313 /nfs/dbraw/zinc/43/63/13/608436313.db2.gz ZULHNNVZMOYOFA-QWRGUYRKSA-N -1 1 301.354 0.910 20 0 DCADMM c1cc(N2CCC[C@H]([C@H]3CCOC3)C2)nnc1-c1nn[n-]n1 ZINC000826517372 608436314 /nfs/dbraw/zinc/43/63/14/608436314.db2.gz ZULHNNVZMOYOFA-QWRGUYRKSA-N -1 1 301.354 0.910 20 0 DCADMM CO[C@@H]1CC[C@H]2OCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C1 ZINC000826145259 608437577 /nfs/dbraw/zinc/43/75/77/608437577.db2.gz CNGGLULEZXXSPJ-ADEWGFFLSA-N -1 1 317.353 0.429 20 0 DCADMM CO[C@@H]1CC[C@H]2OCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C1 ZINC000826145259 608437578 /nfs/dbraw/zinc/43/75/78/608437578.db2.gz CNGGLULEZXXSPJ-ADEWGFFLSA-N -1 1 317.353 0.429 20 0 DCADMM c1ccc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC000826522377 608438118 /nfs/dbraw/zinc/43/81/18/608438118.db2.gz XRHUPFYYLWGZPO-JTQLQIEISA-N -1 1 309.337 0.743 20 0 DCADMM CCc1nn(CC2(O)CCCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762967 608490682 /nfs/dbraw/zinc/49/06/82/608490682.db2.gz MFNUUKKUHKXSQI-UHFFFAOYSA-N -1 1 318.381 0.853 20 0 DCADMM C[C@@H]1CCOCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824962500 608494070 /nfs/dbraw/zinc/49/40/70/608494070.db2.gz UOYSAFYYGJRBHV-MRVPVSSYSA-N -1 1 306.330 0.243 20 0 DCADMM C[C@@H]1CCOCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824962500 608494071 /nfs/dbraw/zinc/49/40/71/608494071.db2.gz UOYSAFYYGJRBHV-MRVPVSSYSA-N -1 1 306.330 0.243 20 0 DCADMM C[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824705497 608561980 /nfs/dbraw/zinc/56/19/80/608561980.db2.gz BXYHZUXWPCWZEI-LURJTMIESA-N -1 1 317.758 0.179 20 0 DCADMM C[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824705497 608561981 /nfs/dbraw/zinc/56/19/81/608561981.db2.gz BXYHZUXWPCWZEI-LURJTMIESA-N -1 1 317.758 0.179 20 0 DCADMM CCOC(=O)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000825499818 608719919 /nfs/dbraw/zinc/71/99/19/608719919.db2.gz VCZNHDPVFLRKJR-JTQLQIEISA-N -1 1 323.378 0.692 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000824893818 608812715 /nfs/dbraw/zinc/81/27/15/608812715.db2.gz VHIDBUCMDACFSS-HTQZYQBOSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000824893818 608812717 /nfs/dbraw/zinc/81/27/17/608812717.db2.gz VHIDBUCMDACFSS-HTQZYQBOSA-N -1 1 306.330 0.289 20 0 DCADMM COC(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826138043 609278485 /nfs/dbraw/zinc/27/84/85/609278485.db2.gz CHVZWIIHVTYTLZ-UHFFFAOYSA-N -1 1 317.284 0.776 20 0 DCADMM CC[C@H]1C[C@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)CCO1 ZINC000825182347 609435128 /nfs/dbraw/zinc/43/51/28/609435128.db2.gz 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/nfs/dbraw/zinc/46/63/22/694466322.db2.gz ZJJKDRWXCCQQJM-OAHLLOKOSA-N -1 1 307.398 0.333 20 0 DCADMM C[C@H]1C[C@H](NC(=O)c2ncccc2[O-])CN1C(=O)c1cocn1 ZINC001012378677 691770065 /nfs/dbraw/zinc/77/00/65/691770065.db2.gz PEWCQISNTCNTQU-UWVGGRQHSA-N -1 1 316.317 0.808 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)c2cocn2)CN1C(=O)c1ncccc1[O-] ZINC001012514425 691801812 /nfs/dbraw/zinc/80/18/12/691801812.db2.gz YVOFHKWLOBVLET-VHSXEESVSA-N -1 1 316.317 0.808 20 0 DCADMM COCC(=O)N1CC[C@]2(NC(=O)c3ncccc3[O-])CCC[C@H]12 ZINC001014253400 691985626 /nfs/dbraw/zinc/98/56/26/691985626.db2.gz OOVYZKRTMKLOJS-BLLLJJGKSA-N -1 1 319.361 0.687 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC001017171831 692859615 /nfs/dbraw/zinc/85/96/15/692859615.db2.gz HUFGNEUCUDPMGI-JTQLQIEISA-N -1 1 320.353 0.483 20 0 DCADMM COCC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001018102963 693042891 /nfs/dbraw/zinc/04/28/91/693042891.db2.gz ZCPSMBKUNBATFG-WDEREUQCSA-N -1 1 307.350 0.543 20 0 DCADMM COCC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])CC[C@H]1C ZINC001018102956 693043189 /nfs/dbraw/zinc/04/31/89/693043189.db2.gz ZCPSMBKUNBATFG-GHMZBOCLSA-N -1 1 307.350 0.543 20 0 DCADMM O=C(C1CC(F)(F)C1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001018694932 693197536 /nfs/dbraw/zinc/19/75/36/693197536.db2.gz NRDKQETWPDKQKL-QMMMGPOBSA-N -1 1 301.297 0.246 20 0 DCADMM Cc1ncoc1CN[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001018724717 693208314 /nfs/dbraw/zinc/20/83/14/693208314.db2.gz ZZNBIHJUVUTGND-JTQLQIEISA-N -1 1 305.338 0.724 20 0 DCADMM Cc1nnc(CN[C@H]2CCN(C(=O)c3ncccc3[O-])C2)s1 ZINC001018750564 693219837 /nfs/dbraw/zinc/21/98/37/693219837.db2.gz MABBWXUPZYVQOR-JTQLQIEISA-N -1 1 319.390 0.951 20 0 DCADMM CCc1cccc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001018975781 693303173 /nfs/dbraw/zinc/30/31/73/693303173.db2.gz MKEIZGDAZNMBRL-NSHDSACASA-N -1 1 316.365 0.472 20 0 DCADMM CCc1cnccc1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019065281 693341053 /nfs/dbraw/zinc/34/10/53/693341053.db2.gz GOHAOEUQJRKCBJ-NSHDSACASA-N -1 1 316.365 0.472 20 0 DCADMM CC(C)c1cc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)on1 ZINC001019467293 693482933 /nfs/dbraw/zinc/48/29/33/693482933.db2.gz WDQHJYSGWHKIAX-VIFPVBQESA-N -1 1 320.353 0.626 20 0 DCADMM Cc1ccc(CC(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)s1 ZINC001019813636 693594243 /nfs/dbraw/zinc/59/42/43/693594243.db2.gz KPKMANGGPCVCGA-JTQLQIEISA-N -1 1 321.406 0.813 20 0 DCADMM COCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001073284310 694718357 /nfs/dbraw/zinc/71/83/57/694718357.db2.gz ILUWLLHZGHZMMJ-LBPRGKRZSA-N -1 1 321.377 0.791 20 0 DCADMM COCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001073632611 694756415 /nfs/dbraw/zinc/75/64/15/694756415.db2.gz NQKHIAYOGFYJLH-QWRGUYRKSA-N -1 1 307.350 0.400 20 0 DCADMM O=C(c1ncccc1[O-])N1CC[C@H]2OCCN(CCCO)[C@H]2C1 ZINC001074219719 694843591 /nfs/dbraw/zinc/84/35/91/694843591.db2.gz VEOLHYDLSPOPCZ-GXTWGEPZSA-N -1 1 321.377 0.085 20 0 DCADMM C[C@@H](C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C)n1cccc1 ZINC001074607617 694911801 /nfs/dbraw/zinc/91/18/01/694911801.db2.gz YGTVJBPAKLQJHQ-SRVKXCTJSA-N -1 1 318.381 0.652 20 0 DCADMM C[C@H](C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C)c1ccco1 ZINC001074874635 694927600 /nfs/dbraw/zinc/92/76/00/694927600.db2.gz XNZNRNKSUNJUKB-DCAQKATOSA-N -1 1 319.365 0.986 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)C[C@@H]1CCCOC1 ZINC001075115830 694938830 /nfs/dbraw/zinc/93/88/30/694938830.db2.gz KLUSBWXVBBNCQG-SRVKXCTJSA-N -1 1 323.397 0.406 20 0 DCADMM Cc1cc(C(=O)NCC[C@H](C)NC(=O)c2ncccc2[O-])[nH]n1 ZINC001075778932 694975840 /nfs/dbraw/zinc/97/58/40/694975840.db2.gz NEMXIXQYDJFUKZ-VIFPVBQESA-N -1 1 317.349 0.757 20 0 DCADMM CSc1nc(CNC(=O)C=Cc2cn(C)cn2)cc(=O)[n-]1 ZINC001570806654 1162623289 /nfs/dbraw/zinc/62/32/89/1162623289.db2.gz RNFHPWSWNMZUAW-ONEGZZNKSA-N -1 1 305.363 0.967 20 0 DCADMM CSc1nc(CNC(=O)c2ccc3nnnn3c2)cc(=O)[n-]1 ZINC001570806471 1162623452 /nfs/dbraw/zinc/62/34/52/1162623452.db2.gz KGCRJMMSHSITEA-UHFFFAOYSA-N -1 1 317.334 0.272 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2ccc(Cl)nn2)n[n-]1 ZINC001648910353 1157518315 /nfs/dbraw/zinc/51/83/15/1157518315.db2.gz UALAXHQLNKPFIX-LURJTMIESA-N -1 1 324.728 0.916 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2ccc(Cl)nn2)[n-]1 ZINC001648910353 1157518319 /nfs/dbraw/zinc/51/83/19/1157518319.db2.gz UALAXHQLNKPFIX-LURJTMIESA-N -1 1 324.728 0.916 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2ccc(Cl)nn2)n1 ZINC001648910353 1157518323 /nfs/dbraw/zinc/51/83/23/1157518323.db2.gz UALAXHQLNKPFIX-LURJTMIESA-N -1 1 324.728 0.916 20 0 DCADMM C(C1CC1)n1c(-c2nnn[n-]2)nnc1N1CCOCC2(CC2)C1 ZINC001772537059 1157545489 /nfs/dbraw/zinc/54/54/89/1157545489.db2.gz KRGBVPGUTHOHPN-UHFFFAOYSA-N -1 1 316.369 0.485 20 0 DCADMM C(C1CC1)n1c(-c2nn[n-]n2)nnc1N1CCOCC2(CC2)C1 ZINC001772537059 1157545494 /nfs/dbraw/zinc/54/54/94/1157545494.db2.gz KRGBVPGUTHOHPN-UHFFFAOYSA-N -1 1 316.369 0.485 20 0 DCADMM Cn1[n-]c(CN2CCN(C(=O)C(F)=C3CCCC3)CC2)nc1=O ZINC001687424898 1158320622 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/nfs/dbraw/zinc/16/25/77/1160162577.db2.gz FCKMOBATUFTXBU-PLNGDYQASA-N -1 1 310.358 0.329 20 0 DCADMM CCc1ncsc1C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1 ZINC001567505020 1160400421 /nfs/dbraw/zinc/40/04/21/1160400421.db2.gz GHSXUXVQOIJMPF-UHFFFAOYSA-N -1 1 310.383 0.391 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1ccc(Cl)[nH]1 ZINC001568773398 1160768756 /nfs/dbraw/zinc/76/87/56/1160768756.db2.gz VYYKIJCRRUPVNE-UHFFFAOYSA-N -1 1 312.761 0.744 20 0 DCADMM CCS(=O)(=O)C1CN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001569039225 1160924678 /nfs/dbraw/zinc/92/46/78/1160924678.db2.gz BDOJFOJYRNRQLL-UHFFFAOYSA-N -1 1 317.392 0.038 20 0 DCADMM CC(C)=CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001569726441 1161207632 /nfs/dbraw/zinc/20/76/32/1161207632.db2.gz JLMHMCJMDIIBER-UHFFFAOYSA-N -1 1 309.370 0.232 20 0 DCADMM CC(=O)N[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)C(C)C ZINC001573418050 1163432027 /nfs/dbraw/zinc/43/20/27/1163432027.db2.gz MLKSMOLRMXINJT-RISCZKNCSA-N -1 1 313.398 0.155 20 0 DCADMM CC(C)Cn1[nH]c(CC(=O)Nc2nc(C(=O)[O-])c[nH]2)cc1=O ZINC001573519603 1163457453 /nfs/dbraw/zinc/45/74/53/1163457453.db2.gz QHFWMMXOFVHUJH-UHFFFAOYSA-N -1 1 307.310 0.435 20 0 DCADMM C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1nccc(N)n1 ZINC001573563906 1163503513 /nfs/dbraw/zinc/50/35/13/1163503513.db2.gz XKZRKZIWDOGRMV-NXEZZACHSA-N -1 1 307.354 0.033 20 0 DCADMM C[C@@H]1CCNC(=O)[C@H]1NCc1cnc2c(C(=O)[O-])cnn2c1 ZINC001573646835 1163520551 /nfs/dbraw/zinc/52/05/51/1163520551.db2.gz VREGPQCLZJZCOG-KCJUWKMLSA-N -1 1 303.322 0.042 20 0 DCADMM CCOC(=O)c1cc(NC(=O)[C@@H]2CSCN2C(=O)[O-])n[nH]1 ZINC001573794504 1163557236 /nfs/dbraw/zinc/55/72/36/1163557236.db2.gz ZKEZRSNQAMRPGL-ZETCQYMHSA-N -1 1 314.323 0.578 20 0 DCADMM CN(CC(=O)N(C)[C@H](C(=O)[O-])c1cccnc1)[C@@H]1CCC[C@H]1O ZINC001573852966 1163569248 /nfs/dbraw/zinc/56/92/48/1163569248.db2.gz SWKXOSKMQHAQAI-NFAWXSAZSA-N -1 1 321.377 0.511 20 0 DCADMM COC(=O)c1cc(C[NH2+][C@@H](C)c2nc(C(=O)[O-])n[n-]2)cn1C ZINC001573937582 1163592058 /nfs/dbraw/zinc/59/20/58/1163592058.db2.gz AYGSRWPWENQBIB-ZETCQYMHSA-N -1 1 307.310 0.479 20 0 DCADMM CC(C)C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573947050 1163596175 /nfs/dbraw/zinc/59/61/75/1163596175.db2.gz SOSYIQNGQXPMGS-JTQLQIEISA-N -1 1 316.369 0.350 20 0 DCADMM CC(C)C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573947050 1163596180 /nfs/dbraw/zinc/59/61/80/1163596180.db2.gz SOSYIQNGQXPMGS-JTQLQIEISA-N -1 1 316.369 0.350 20 0 DCADMM CC(C)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573969549 1163613693 /nfs/dbraw/zinc/61/36/93/1163613693.db2.gz KKZLEXMNHIEAAD-AOOOYVTPSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573969549 1163613701 /nfs/dbraw/zinc/61/37/01/1163613701.db2.gz KKZLEXMNHIEAAD-AOOOYVTPSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)[C@@H](CNC(=O)C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574024702 1163626285 /nfs/dbraw/zinc/62/62/85/1163626285.db2.gz ZGSLRRBCQQLXAS-SNVBAGLBSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)[C@@H](CNC(=O)C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574024702 1163626292 /nfs/dbraw/zinc/62/62/92/1163626292.db2.gz ZGSLRRBCQQLXAS-SNVBAGLBSA-N -1 1 316.369 0.619 20 0 DCADMM COc1ccc([C@@H](C)NCC(=O)N(C)CC(=O)[O-])c(OC)c1 ZINC001574033766 1163627299 /nfs/dbraw/zinc/62/72/99/1163627299.db2.gz BGBSTEVZWGQPHY-SNVBAGLBSA-N -1 1 310.350 0.897 20 0 DCADMM Cc1[nH]nc(S(=O)(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1C(=O)[O-] ZINC001574183162 1163655041 /nfs/dbraw/zinc/65/50/41/1163655041.db2.gz YTIPZVSPQFLQRM-IONNQARKSA-N -1 1 316.383 0.177 20 0 DCADMM Cn1cc(C[NH2+]Cc2nc(C(=O)[O-])n[n-]2)c(C2CCOCC2)n1 ZINC001574213467 1163667645 /nfs/dbraw/zinc/66/76/45/1163667645.db2.gz IVSIILSPWYMEOH-UHFFFAOYSA-N -1 1 320.353 0.420 20 0 DCADMM O=C([O-])[C@@H](NC(=O)CCN1CC[C@H](F)C1)C1CCOCC1 ZINC001574293294 1163686065 /nfs/dbraw/zinc/68/60/65/1163686065.db2.gz BJRIICFHYVHNCL-AAEUAGOBSA-N -1 1 302.346 0.416 20 0 DCADMM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)CCN1CC[C@H](F)C1 ZINC001574293370 1163686197 /nfs/dbraw/zinc/68/61/97/1163686197.db2.gz GCFWBJGXXOXQMB-SDDRHHMPSA-N -1 1 302.346 0.559 20 0 DCADMM O=C([O-])c1cccc2nc(NC(=O)C[C@H]3CCNC3=O)[nH]c21 ZINC001574293958 1163686888 /nfs/dbraw/zinc/68/68/88/1163686888.db2.gz RTCYNXOBHGCLKZ-SSDOTTSWSA-N -1 1 302.290 0.726 20 0 DCADMM O=C([O-])[C@]1(F)CN(C(=O)CCCc2nn[nH]n2)CC12CCC2 ZINC001574293781 1163687244 /nfs/dbraw/zinc/68/72/44/1163687244.db2.gz OVCDDNRQPPBRSR-CYBMUJFWSA-N -1 1 311.317 0.328 20 0 DCADMM O=C([O-])[C@H]1Cc2cc(F)ccc2N(C(=O)Cc2nnc[nH]2)C1 ZINC001574358418 1163704491 /nfs/dbraw/zinc/70/44/91/1163704491.db2.gz WECMVAMIMPKSMP-VIFPVBQESA-N -1 1 304.281 0.776 20 0 DCADMM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)c3cc(F)cc4nn[nH]c43)C[C@@H]21 ZINC001574400166 1163713496 /nfs/dbraw/zinc/71/34/96/1163713496.db2.gz FIJZSYASRRPYFZ-POZPLHJXSA-N -1 1 304.281 0.890 20 0 DCADMM O=C([O-])c1cnn2cc(CN3CC([C@H]4CCOC4)C3)cnc12 ZINC001574416969 1163717772 /nfs/dbraw/zinc/71/77/72/1163717772.db2.gz FQVMLKGLYZYOFX-NSHDSACASA-N -1 1 302.334 0.896 20 0 DCADMM C[C@H](C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC1 ZINC001574542680 1163730112 /nfs/dbraw/zinc/73/01/12/1163730112.db2.gz NTAQRBYSHYOKHE-DTWKUNHWSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@H](C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC1 ZINC001574542680 1163730118 /nfs/dbraw/zinc/73/01/18/1163730118.db2.gz NTAQRBYSHYOKHE-DTWKUNHWSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@@H](CCNC(=O)C1(C)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574586595 1163732456 /nfs/dbraw/zinc/73/24/56/1163732456.db2.gz GENGHQZXUAQQPV-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM C[C@@H](CCNC(=O)CC1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574604120 1163734059 /nfs/dbraw/zinc/73/40/59/1163734059.db2.gz WFGDTKCRAYTRJW-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574839651 1163766485 /nfs/dbraw/zinc/76/64/85/1163766485.db2.gz FPFFFIWMJJBKOE-KCJUWKMLSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574839651 1163766490 /nfs/dbraw/zinc/76/64/90/1163766490.db2.gz FPFFFIWMJJBKOE-KCJUWKMLSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@H](C)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574835961 1163766981 /nfs/dbraw/zinc/76/69/81/1163766981.db2.gz HYQAYGPDDBRMTP-UWVGGRQHSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@H](C)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574835961 1163766988 /nfs/dbraw/zinc/76/69/88/1163766988.db2.gz HYQAYGPDDBRMTP-UWVGGRQHSA-N -1 1 318.385 0.865 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574861943 1163776076 /nfs/dbraw/zinc/77/60/76/1163776076.db2.gz PJPAJNNECGNDHI-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574861943 1163776081 /nfs/dbraw/zinc/77/60/81/1163776081.db2.gz PJPAJNNECGNDHI-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)CC1CCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574897622 1163790183 /nfs/dbraw/zinc/79/01/83/1163790183.db2.gz NSSKVKCYGHETMQ-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)CC1CCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574897622 1163790192 /nfs/dbraw/zinc/79/01/92/1163790192.db2.gz NSSKVKCYGHETMQ-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)CCCF)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574904886 1163792839 /nfs/dbraw/zinc/79/28/39/1163792839.db2.gz UPDVLENTCIIRNY-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM C[C@@H](CNC(=O)CCCF)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574904886 1163792844 /nfs/dbraw/zinc/79/28/44/1163792844.db2.gz UPDVLENTCIIRNY-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM O=C(NCCNC(=O)c1ncccc1[O-])c1cncc(Cl)c1 ZINC001575059973 1163874165 /nfs/dbraw/zinc/87/41/65/1163874165.db2.gz XAXVSEPUTBSBCM-UHFFFAOYSA-N -1 1 320.736 0.995 20 0 DCADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1nnc2ccccn21 ZINC001575357865 1163986352 /nfs/dbraw/zinc/98/63/52/1163986352.db2.gz XDUYOZQGERZZIW-QMMMGPOBSA-N -1 1 324.304 0.993 20 0 DCADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1nnc2ccccn21 ZINC001575357865 1163986355 /nfs/dbraw/zinc/98/63/55/1163986355.db2.gz XDUYOZQGERZZIW-QMMMGPOBSA-N -1 1 324.304 0.993 20 0 DCADMM CC1(C)COC(=O)[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001575736409 1164126116 /nfs/dbraw/zinc/12/61/16/1164126116.db2.gz RDOZCQZNROGKRT-VIFPVBQESA-N -1 1 317.309 0.335 20 0 DCADMM CC1(C)COC(=O)[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001575736409 1164126121 /nfs/dbraw/zinc/12/61/21/1164126121.db2.gz RDOZCQZNROGKRT-VIFPVBQESA-N -1 1 317.309 0.335 20 0 DCADMM COC[C@@H](C)CC(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001575794791 1164153501 /nfs/dbraw/zinc/15/35/01/1164153501.db2.gz GUTZQLYKHNWOMW-NSHDSACASA-N -1 1 309.366 0.696 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)C(=O)O1 ZINC001575993938 1164205713 /nfs/dbraw/zinc/20/57/13/1164205713.db2.gz SMJUXRPODJNOTA-POYBYMJQSA-N -1 1 322.350 0.431 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1=O ZINC001576095649 1164239503 /nfs/dbraw/zinc/23/95/03/1164239503.db2.gz LLIVKHFTQAJEBG-IWSPIJDZSA-N -1 1 316.321 0.199 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1=O ZINC001576095649 1164239507 /nfs/dbraw/zinc/23/95/07/1164239507.db2.gz LLIVKHFTQAJEBG-IWSPIJDZSA-N -1 1 316.321 0.199 20 0 DCADMM CCC(=O)N(C)[C@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576411955 1164333020 /nfs/dbraw/zinc/33/30/20/1164333020.db2.gz POVOBLAUMJSKKO-SECBINFHSA-N -1 1 318.385 0.888 20 0 DCADMM CCC(=O)N(C)[C@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576411955 1164333027 /nfs/dbraw/zinc/33/30/27/1164333027.db2.gz POVOBLAUMJSKKO-SECBINFHSA-N -1 1 318.385 0.888 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576445045 1164346442 /nfs/dbraw/zinc/34/64/42/1164346442.db2.gz NKLUMMCECBVYBF-UWVGGRQHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576445045 1164346449 /nfs/dbraw/zinc/34/64/49/1164346449.db2.gz NKLUMMCECBVYBF-UWVGGRQHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576485673 1164361991 /nfs/dbraw/zinc/36/19/91/1164361991.db2.gz DDRNLAMNMKOOJO-JTQLQIEISA-N -1 1 316.369 0.318 20 0 DCADMM CCC(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001576485673 1164361998 /nfs/dbraw/zinc/36/19/98/1164361998.db2.gz DDRNLAMNMKOOJO-JTQLQIEISA-N -1 1 316.369 0.318 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001576561776 1164390604 /nfs/dbraw/zinc/39/06/04/1164390604.db2.gz HZBSYBZIZRSXLZ-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001576561776 1164390609 /nfs/dbraw/zinc/39/06/09/1164390609.db2.gz HZBSYBZIZRSXLZ-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576568610 1164395083 /nfs/dbraw/zinc/39/50/83/1164395083.db2.gz PUWYMVFNQLZACA-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576568610 1164395088 /nfs/dbraw/zinc/39/50/88/1164395088.db2.gz PUWYMVFNQLZACA-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576576638 1164400380 /nfs/dbraw/zinc/40/03/80/1164400380.db2.gz NUDSODLKUUYVRM-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576576638 1164400383 /nfs/dbraw/zinc/40/03/83/1164400383.db2.gz NUDSODLKUUYVRM-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001576576335 1164400515 /nfs/dbraw/zinc/40/05/15/1164400515.db2.gz JMVZFMNOIXDNFZ-VHSXEESVSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001576576335 1164400518 /nfs/dbraw/zinc/40/05/18/1164400518.db2.gz JMVZFMNOIXDNFZ-VHSXEESVSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576593983 1164406999 /nfs/dbraw/zinc/40/69/99/1164406999.db2.gz IORFKUJGBMQFQV-UWVGGRQHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576593983 1164407001 /nfs/dbraw/zinc/40/70/01/1164407001.db2.gz IORFKUJGBMQFQV-UWVGGRQHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)CC(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576631565 1164419251 /nfs/dbraw/zinc/41/92/51/1164419251.db2.gz FEQXDVUPGSWXGX-UWVGGRQHSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](CCO)NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001576766753 1164455268 /nfs/dbraw/zinc/45/52/68/1164455268.db2.gz HRCCXHFWWJZFKH-QMMMGPOBSA-N -1 1 321.341 0.553 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576928733 1164536402 /nfs/dbraw/zinc/53/64/02/1164536402.db2.gz YETMZUKZTHSSJU-SECBINFHSA-N -1 1 322.348 0.584 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576928733 1164536408 /nfs/dbraw/zinc/53/64/08/1164536408.db2.gz YETMZUKZTHSSJU-SECBINFHSA-N -1 1 322.348 0.584 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001576939504 1164544100 /nfs/dbraw/zinc/54/41/00/1164544100.db2.gz FROKCLKDHVFEBE-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001576939504 1164544110 /nfs/dbraw/zinc/54/41/10/1164544110.db2.gz FROKCLKDHVFEBE-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576939622 1164545043 /nfs/dbraw/zinc/54/50/43/1164545043.db2.gz GQZQYVWFEHRDHQ-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576939622 1164545050 /nfs/dbraw/zinc/54/50/50/1164545050.db2.gz GQZQYVWFEHRDHQ-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576955463 1164554701 /nfs/dbraw/zinc/55/47/01/1164554701.db2.gz JQGAGVKJQRALKJ-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576955463 1164554712 /nfs/dbraw/zinc/55/47/12/1164554712.db2.gz JQGAGVKJQRALKJ-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CCC1(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001577086657 1164600717 /nfs/dbraw/zinc/60/07/17/1164600717.db2.gz DDDNYOBNSDUQRA-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001577086657 1164600719 /nfs/dbraw/zinc/60/07/19/1164600719.db2.gz DDDNYOBNSDUQRA-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H]1CN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C[C@H]1O ZINC001577170058 1164618842 /nfs/dbraw/zinc/61/88/42/1164618842.db2.gz UJVGBYPNAOCIDB-PSASIEDQSA-N -1 1 318.337 0.119 20 0 DCADMM CCCC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577197937 1164631340 /nfs/dbraw/zinc/63/13/40/1164631340.db2.gz NYMRUEIUFWTHAH-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577197937 1164631347 /nfs/dbraw/zinc/63/13/47/1164631347.db2.gz NYMRUEIUFWTHAH-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577203256 1164632615 /nfs/dbraw/zinc/63/26/15/1164632615.db2.gz SVQASMXOEQDZJZ-CQSZACIVSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577203256 1164632618 /nfs/dbraw/zinc/63/26/18/1164632618.db2.gz SVQASMXOEQDZJZ-CQSZACIVSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001577213853 1164635508 /nfs/dbraw/zinc/63/55/08/1164635508.db2.gz QBIQQSYNPDWNFQ-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001577213853 1164635512 /nfs/dbraw/zinc/63/55/12/1164635512.db2.gz QBIQQSYNPDWNFQ-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCC[C@H](C)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577278447 1164658084 /nfs/dbraw/zinc/65/80/84/1164658084.db2.gz DLKJIXOBMUCKFX-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CCC[C@H](C)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577278447 1164658087 /nfs/dbraw/zinc/65/80/87/1164658087.db2.gz DLKJIXOBMUCKFX-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CCC[C@@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577278746 1164658737 /nfs/dbraw/zinc/65/87/37/1164658737.db2.gz NLLHBBKJFLSBRX-ZJUUUORDSA-N -1 1 318.385 0.431 20 0 DCADMM CCCCC(=O)N[C@H](C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001577409192 1164686782 /nfs/dbraw/zinc/68/67/82/1164686782.db2.gz XFECRXFJDBYGNK-SNVBAGLBSA-N -1 1 318.385 0.576 20 0 DCADMM CCCCC(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577421509 1164689758 /nfs/dbraw/zinc/68/97/58/1164689758.db2.gz PQNKQBSGMLRPNT-JTQLQIEISA-N -1 1 318.385 0.576 20 0 DCADMM CCCC[C@](C)(CO)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001577430303 1164690068 /nfs/dbraw/zinc/69/00/68/1164690068.db2.gz AACVLLYUGCGJDD-CYBMUJFWSA-N -1 1 323.357 0.019 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@@H]1C)c1cncc(-c2nnn[n-]2)n1 ZINC001577942816 1164855262 /nfs/dbraw/zinc/85/52/62/1164855262.db2.gz ZWCHKEWQPARBAT-VHSXEESVSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@@H]1C)c1cncc(-c2nn[n-]n2)n1 ZINC001577942816 1164855268 /nfs/dbraw/zinc/85/52/68/1164855268.db2.gz ZWCHKEWQPARBAT-VHSXEESVSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)CC(C)C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577955146 1164860204 /nfs/dbraw/zinc/86/02/04/1164860204.db2.gz WVSVDJDJHWYUOT-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCNC(=O)CC(C)C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577955146 1164860211 /nfs/dbraw/zinc/86/02/11/1164860211.db2.gz WVSVDJDJHWYUOT-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCOC(=O)c1cc(Cn2cccc(-c3nn[n-]n3)c2=O)on1 ZINC001578252114 1164964050 /nfs/dbraw/zinc/96/40/50/1164964050.db2.gz JWCTXUGCCHKOHF-UHFFFAOYSA-N -1 1 316.277 0.241 20 0 DCADMM CCO[C@@H]1CCC[C@H]1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001578378606 1164991688 /nfs/dbraw/zinc/99/16/88/1164991688.db2.gz HKWZHQRCRRVZTC-IVZWLZJFSA-N -1 1 320.357 0.093 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C(N)=O ZINC001578472301 1165028639 /nfs/dbraw/zinc/02/86/39/1165028639.db2.gz VTPZLQSSNLRTSC-XVKPBYJWSA-N -1 1 318.341 0.283 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C(N)=O ZINC001578472301 1165028644 /nfs/dbraw/zinc/02/86/44/1165028644.db2.gz VTPZLQSSNLRTSC-XVKPBYJWSA-N -1 1 318.341 0.283 20 0 DCADMM CCc1nc(N[C@@H](C)c2n[nH]c(=O)n2C)cc(-c2nn[n-]n2)n1 ZINC001578626033 1165072005 /nfs/dbraw/zinc/07/20/05/1165072005.db2.gz CDBOMDMVFZDQIZ-LURJTMIESA-N -1 1 316.329 0.226 20 0 DCADMM CCc1nc(N[C@H]2C[C@H](C)N(C(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001578638460 1165072123 /nfs/dbraw/zinc/07/21/23/1165072123.db2.gz KBBSUUCVKKOHDP-WPRPVWTQSA-N -1 1 316.369 0.640 20 0 DCADMM CCc1nc(N[C@H]2C[C@H](C)N(C(C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001578638460 1165072130 /nfs/dbraw/zinc/07/21/30/1165072130.db2.gz KBBSUUCVKKOHDP-WPRPVWTQSA-N -1 1 316.369 0.640 20 0 DCADMM CCc1nc(N[C@H](CNC(C)=O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001578631880 1165072322 /nfs/dbraw/zinc/07/23/22/1165072322.db2.gz AJKJAWPSBBPPIH-LLVKDONJSA-N -1 1 318.385 0.792 20 0 DCADMM CCc1nc(N[C@H](CNC(C)=O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001578631880 1165072329 /nfs/dbraw/zinc/07/23/29/1165072329.db2.gz AJKJAWPSBBPPIH-LLVKDONJSA-N -1 1 318.385 0.792 20 0 DCADMM CCc1nc(NC[C@@H](C)NC(=O)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001578665057 1165084025 /nfs/dbraw/zinc/08/40/25/1165084025.db2.gz BEPJMVQNMCRVCT-MRVPVSSYSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(NC[C@@H](C)NC(=O)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001578665057 1165084031 /nfs/dbraw/zinc/08/40/31/1165084031.db2.gz BEPJMVQNMCRVCT-MRVPVSSYSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(NCc2nc(C)cc(=O)[nH]2)cc(-c2nn[n-]n2)n1 ZINC001578669184 1165084550 /nfs/dbraw/zinc/08/45/50/1165084550.db2.gz FQXLNNBXJCQFPH-UHFFFAOYSA-N -1 1 313.325 0.635 20 0 DCADMM CN(CCNC(=O)[C@H]1CC1(C)C)c1ccnc(-c2nn[n-]n2)n1 ZINC001579187758 1165232142 /nfs/dbraw/zinc/23/21/42/1165232142.db2.gz XNEPVRWRPUXFOJ-SECBINFHSA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)[C@@H]1CC1(C)C ZINC001579219192 1165242618 /nfs/dbraw/zinc/24/26/18/1165242618.db2.gz QOZFLPXWKBSSMM-VIFPVBQESA-N -1 1 316.369 0.573 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)[C@@H]1CC1(C)C ZINC001579219192 1165242625 /nfs/dbraw/zinc/24/26/25/1165242625.db2.gz QOZFLPXWKBSSMM-VIFPVBQESA-N -1 1 316.369 0.573 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)CC1(C)CC1 ZINC001579225932 1165245321 /nfs/dbraw/zinc/24/53/21/1165245321.db2.gz VZWGZXWXOJWDKD-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)CC1(C)CC1 ZINC001579225932 1165245331 /nfs/dbraw/zinc/24/53/31/1165245331.db2.gz VZWGZXWXOJWDKD-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)C1=CCCC1 ZINC001579226393 1165245733 /nfs/dbraw/zinc/24/57/33/1165245733.db2.gz QWVWVXVCUAHEJN-UHFFFAOYSA-N -1 1 314.353 0.637 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)C1=CCCC1 ZINC001579226393 1165245738 /nfs/dbraw/zinc/24/57/38/1165245738.db2.gz QWVWVXVCUAHEJN-UHFFFAOYSA-N -1 1 314.353 0.637 20 0 DCADMM CN1c2ccccc2C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1=O ZINC001579297930 1165264611 /nfs/dbraw/zinc/26/46/11/1165264611.db2.gz AEQFXDJKWCGPQM-JTQLQIEISA-N -1 1 322.332 0.656 20 0 DCADMM CN1c2ccccc2C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1=O ZINC001579297930 1165264620 /nfs/dbraw/zinc/26/46/20/1165264620.db2.gz AEQFXDJKWCGPQM-JTQLQIEISA-N -1 1 322.332 0.656 20 0 DCADMM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001579442226 1165309519 /nfs/dbraw/zinc/30/95/19/1165309519.db2.gz CHSPGEGCFFCUDA-JGVFFNPUSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)CCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001579447261 1165311168 /nfs/dbraw/zinc/31/11/68/1165311168.db2.gz FXNNPDSKXWVAFF-UHFFFAOYSA-N -1 1 314.305 0.641 20 0 DCADMM COC(=O)C[C@H](C)CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001579445065 1165311331 /nfs/dbraw/zinc/31/13/31/1165311331.db2.gz BIPWCOAGWDFFHR-SECBINFHSA-N -1 1 318.337 0.467 20 0 DCADMM COC(=O)C[C@H](C)CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001579445065 1165311339 /nfs/dbraw/zinc/31/13/39/1165311339.db2.gz BIPWCOAGWDFFHR-SECBINFHSA-N -1 1 318.337 0.467 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](C)C1 ZINC001579466773 1165319038 /nfs/dbraw/zinc/31/90/38/1165319038.db2.gz MYYJCTDFYFKCSI-RKDXNWHRSA-N -1 1 319.321 0.873 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](C)C1 ZINC001579466773 1165319043 /nfs/dbraw/zinc/31/90/43/1165319043.db2.gz MYYJCTDFYFKCSI-RKDXNWHRSA-N -1 1 319.321 0.873 20 0 DCADMM COC(=O)[C@@]1(C)CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001579472754 1165323261 /nfs/dbraw/zinc/32/32/61/1165323261.db2.gz HQTDOEKPMQFBEX-RTHLEPHNSA-N -1 1 317.353 0.601 20 0 DCADMM COC(=O)[C@@]1(C)CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001579472754 1165323266 /nfs/dbraw/zinc/32/32/66/1165323266.db2.gz HQTDOEKPMQFBEX-RTHLEPHNSA-N -1 1 317.353 0.601 20 0 DCADMM COC(=O)c1cnc(NC(=O)c2coc(-c3nnn[n-]3)c2)s1 ZINC001579490939 1165330605 /nfs/dbraw/zinc/33/06/05/1165330605.db2.gz BJNDHAKEEXOWHA-UHFFFAOYSA-N -1 1 320.290 0.955 20 0 DCADMM COC(=O)c1cnc(NC(=O)c2coc(-c3nn[n-]n3)c2)s1 ZINC001579490939 1165330613 /nfs/dbraw/zinc/33/06/13/1165330613.db2.gz BJNDHAKEEXOWHA-UHFFFAOYSA-N -1 1 320.290 0.955 20 0 DCADMM COC(=O)c1ccnc(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001579488579 1165331526 /nfs/dbraw/zinc/33/15/26/1165331526.db2.gz LTVWACGUBSRIET-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1ccnc(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001579488579 1165331534 /nfs/dbraw/zinc/33/15/34/1165331534.db2.gz LTVWACGUBSRIET-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1csc(Cn2ccc(-c3nn[n-]n3)cc2=O)c1 ZINC001579491595 1165331780 /nfs/dbraw/zinc/33/17/80/1165331780.db2.gz MARPDARJBCKWLL-UHFFFAOYSA-N -1 1 317.330 0.925 20 0 DCADMM CO[C@H]1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C[C@@H]1C ZINC001579617579 1165362113 /nfs/dbraw/zinc/36/21/13/1165362113.db2.gz FQIBRHQMZNZWFY-KWQFWETISA-N -1 1 320.353 0.589 20 0 DCADMM CO[C@H]1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C[C@@H]1C ZINC001579617579 1165362119 /nfs/dbraw/zinc/36/21/19/1165362119.db2.gz FQIBRHQMZNZWFY-KWQFWETISA-N -1 1 320.353 0.589 20 0 DCADMM COCCCn1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cn1 ZINC001579790991 1165397572 /nfs/dbraw/zinc/39/75/72/1165397572.db2.gz MDORKDLFVMBOQZ-UHFFFAOYSA-N -1 1 317.313 0.075 20 0 DCADMM COCCCn1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cn1 ZINC001579790991 1165397574 /nfs/dbraw/zinc/39/75/74/1165397574.db2.gz MDORKDLFVMBOQZ-UHFFFAOYSA-N -1 1 317.313 0.075 20 0 DCADMM CO[C@]12CCC[C@@]1(NC(=O)c1ccc(-c3nnn[n-]3)o1)CCO2 ZINC001579870456 1165417686 /nfs/dbraw/zinc/41/76/86/1165417686.db2.gz VLFIAOWWBGIXID-KGLIPLIRSA-N -1 1 319.321 0.875 20 0 DCADMM CO[C@]12CCC[C@@]1(NC(=O)c1ccc(-c3nn[n-]n3)o1)CCO2 ZINC001579870456 1165417691 /nfs/dbraw/zinc/41/76/91/1165417691.db2.gz VLFIAOWWBGIXID-KGLIPLIRSA-N -1 1 319.321 0.875 20 0 DCADMM COc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)nn1C ZINC001579932429 1165440701 /nfs/dbraw/zinc/44/07/01/1165440701.db2.gz IOQAJIMXTKMRQU-UHFFFAOYSA-N -1 1 314.309 0.185 20 0 DCADMM COc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)nn1C ZINC001579932429 1165440704 /nfs/dbraw/zinc/44/07/04/1165440704.db2.gz IOQAJIMXTKMRQU-UHFFFAOYSA-N -1 1 314.309 0.185 20 0 DCADMM COc1ccccc1[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001580079326 1165493053 /nfs/dbraw/zinc/49/30/53/1165493053.db2.gz HDHHBWWDPDCRFG-SNVBAGLBSA-N -1 1 313.321 0.233 20 0 DCADMM COc1ncc(NC(=O)NC(C)(C)CCO)cc1-c1nn[n-]n1 ZINC001580135943 1165514424 /nfs/dbraw/zinc/51/44/24/1165514424.db2.gz GKBDHTWLROGSMH-UHFFFAOYSA-N -1 1 321.341 0.553 20 0 DCADMM COc1ncc(NC(=O)c2ccc(C=O)[nH]2)cc1-c1nn[n-]n1 ZINC001580138192 1165515576 /nfs/dbraw/zinc/51/55/76/1165515576.db2.gz HGGIPIPJNJOGNQ-UHFFFAOYSA-N -1 1 313.277 0.663 20 0 DCADMM COc1ncc(NC(=O)Nc2c[nH]nc2C)cc1-c1nn[n-]n1 ZINC001580139117 1165516222 /nfs/dbraw/zinc/51/62/22/1165516222.db2.gz VYGZZVPSGODRDW-UHFFFAOYSA-N -1 1 315.297 0.946 20 0 DCADMM C[S@](=O)Cc1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001580172863 1165527826 /nfs/dbraw/zinc/52/78/26/1165527826.db2.gz OXENIRVHGDRUPU-QFIPXVFZSA-N -1 1 315.362 0.701 20 0 DCADMM CS[C@@H](C)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001580189190 1165532273 /nfs/dbraw/zinc/53/22/73/1165532273.db2.gz HTTUAWKJUWQANB-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001580189190 1165532279 /nfs/dbraw/zinc/53/22/79/1165532279.db2.gz HTTUAWKJUWQANB-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc[nH]1 ZINC001580293614 1165561768 /nfs/dbraw/zinc/56/17/68/1165561768.db2.gz AOCRTSLWWKITRC-QMMMGPOBSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc[nH]1 ZINC001580293614 1165561775 /nfs/dbraw/zinc/56/17/75/1165561775.db2.gz AOCRTSLWWKITRC-QMMMGPOBSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1=CCCC1 ZINC001580299926 1165562695 /nfs/dbraw/zinc/56/26/95/1165562695.db2.gz IGVSJSIXGWTBDY-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1=CCCC1 ZINC001580299926 1165562700 /nfs/dbraw/zinc/56/27/00/1165562700.db2.gz IGVSJSIXGWTBDY-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccco1 ZINC001580303141 1165563411 /nfs/dbraw/zinc/56/34/11/1165563411.db2.gz QCZJQWNDOZMRRS-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccco1 ZINC001580303141 1165563422 /nfs/dbraw/zinc/56/34/22/1165563422.db2.gz QCZJQWNDOZMRRS-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001580367885 1165587695 /nfs/dbraw/zinc/58/76/95/1165587695.db2.gz TZACSVSITRTYOG-OPRDCNLKSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001580367885 1165587703 /nfs/dbraw/zinc/58/77/03/1165587703.db2.gz TZACSVSITRTYOG-OPRDCNLKSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC1CCC1 ZINC001580420068 1165598244 /nfs/dbraw/zinc/59/82/44/1165598244.db2.gz UZSUZSAHXSDZJI-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC1CCC1 ZINC001580420068 1165598250 /nfs/dbraw/zinc/59/82/50/1165598250.db2.gz UZSUZSAHXSDZJI-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H]1C[C@@H](O)CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001580447743 1165605349 /nfs/dbraw/zinc/60/53/49/1165605349.db2.gz CVUDZRHBYVLIMY-JGVFFNPUSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@H]1C[C@@H](O)CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001580447743 1165605355 /nfs/dbraw/zinc/60/53/55/1165605355.db2.gz CVUDZRHBYVLIMY-JGVFFNPUSA-N -1 1 323.382 0.236 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)[C@H]1CCSC1 ZINC001580595865 1165648363 /nfs/dbraw/zinc/64/83/63/1165648363.db2.gz FBSKHRCXZFTSOX-QMMMGPOBSA-N -1 1 320.378 0.853 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@H](O)C(C)(C)C1 ZINC001580597253 1165649307 /nfs/dbraw/zinc/64/93/07/1165649307.db2.gz FPEAEKISGKMCBU-VIFPVBQESA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(C)c(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c(=O)[nH]1 ZINC001580904411 1165756065 /nfs/dbraw/zinc/75/60/65/1165756065.db2.gz PRNXDOQXEWKCAC-UHFFFAOYSA-N -1 1 314.309 0.246 20 0 DCADMM Cc1cc[nH]c1C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001581051931 1165781470 /nfs/dbraw/zinc/78/14/70/1165781470.db2.gz OJYJCIYXQNNEGL-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1cc[nH]c1C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001581051931 1165781473 /nfs/dbraw/zinc/78/14/73/1165781473.db2.gz OJYJCIYXQNNEGL-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)nn1 ZINC001581174539 1165794161 /nfs/dbraw/zinc/79/41/61/1165794161.db2.gz UUKSOANJSNLNGW-UHFFFAOYSA-N -1 1 311.309 0.818 20 0 DCADMM Cc1ccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)c(=O)n1C ZINC001581199808 1165796145 /nfs/dbraw/zinc/79/61/45/1165796145.db2.gz RVPINUYTAHHXNI-UHFFFAOYSA-N -1 1 314.305 0.397 20 0 DCADMM Cc1ccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)c(=O)n1C ZINC001581199808 1165796153 /nfs/dbraw/zinc/79/61/53/1165796153.db2.gz RVPINUYTAHHXNI-UHFFFAOYSA-N -1 1 314.305 0.397 20 0 DCADMM Cc1ccn(C[C@@H]2CCNC(=O)CC2)c(=O)c1-c1nn[n-]n1 ZINC001581274912 1165808535 /nfs/dbraw/zinc/80/85/35/1165808535.db2.gz FOYXZWKUDPQCLY-JTQLQIEISA-N -1 1 302.338 0.253 20 0 DCADMM Cc1cnn(C)c1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001581346098 1165816780 /nfs/dbraw/zinc/81/67/80/1165816780.db2.gz PJLACZGCQBCWRS-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1cnn(C)c1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001581346098 1165816782 /nfs/dbraw/zinc/81/67/82/1165816782.db2.gz PJLACZGCQBCWRS-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nnc([C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)o3)C2)[nH]1 ZINC001581446141 1165829400 /nfs/dbraw/zinc/82/94/00/1165829400.db2.gz QGLYYMKASRQPEM-MRVPVSSYSA-N -1 1 314.309 0.516 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cn(C3CC3)nn2)c1-c1nnn[n-]1 ZINC001581595194 1165847460 /nfs/dbraw/zinc/84/74/60/1165847460.db2.gz SMNPOZURZDPCBJ-UHFFFAOYSA-N -1 1 314.313 0.087 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cn(C3CC3)nn2)c1-c1nn[n-]n1 ZINC001581595194 1165847478 /nfs/dbraw/zinc/84/74/78/1165847478.db2.gz SMNPOZURZDPCBJ-UHFFFAOYSA-N -1 1 314.313 0.087 20 0 DCADMM Cc1nn(C)cc1CC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001581601374 1165849900 /nfs/dbraw/zinc/84/99/00/1165849900.db2.gz XLAGZCCBNCRXKR-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM Cc1nn(C)cc1CC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001581601374 1165849908 /nfs/dbraw/zinc/84/99/08/1165849908.db2.gz XLAGZCCBNCRXKR-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC001581607110 1165850236 /nfs/dbraw/zinc/85/02/36/1165850236.db2.gz XMHRPEWBUBHZAX-ZCFIWIBFSA-N -1 1 315.297 0.836 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001581607110 1165850241 /nfs/dbraw/zinc/85/02/41/1165850241.db2.gz XMHRPEWBUBHZAX-ZCFIWIBFSA-N -1 1 315.297 0.836 20 0 DCADMM Cc1nsc(N(C)CCNC(=O)[C@@H]2C[C@H]2C)c1-c1nn[n-]n1 ZINC001581664521 1165856389 /nfs/dbraw/zinc/85/63/89/1165856389.db2.gz ZTOYIFWFIQPLMA-VXNVDRBHSA-N -1 1 321.410 0.840 20 0 DCADMM Cc1onc(CC(=O)N2[C@H](C)CC[C@@H]2CO)c1-c1nnn[n-]1 ZINC001581738974 1165862277 /nfs/dbraw/zinc/86/22/77/1165862277.db2.gz HLXAHOSKBYVADL-VXNVDRBHSA-N -1 1 306.326 0.077 20 0 DCADMM Cc1onc(CC(=O)N2[C@H](C)CC[C@@H]2CO)c1-c1nn[n-]n1 ZINC001581738974 1165862284 /nfs/dbraw/zinc/86/22/84/1165862284.db2.gz HLXAHOSKBYVADL-VXNVDRBHSA-N -1 1 306.326 0.077 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H](CO)[C@H]2C)c1-c1nnn[n-]1 ZINC001581739283 1165864456 /nfs/dbraw/zinc/86/44/56/1165864456.db2.gz ONBXQINFNQYBPQ-PSASIEDQSA-N -1 1 320.353 0.325 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H](CO)[C@H]2C)c1-c1nn[n-]n1 ZINC001581739283 1165864462 /nfs/dbraw/zinc/86/44/62/1165864462.db2.gz ONBXQINFNQYBPQ-PSASIEDQSA-N -1 1 320.353 0.325 20 0 DCADMM Cn1c(=O)[nH]c(NCc2ccc(F)cc2)c(-c2nn[n-]n2)c1=O ZINC001581747573 1165864620 /nfs/dbraw/zinc/86/46/20/1165864620.db2.gz PJHXPWJUJSWEBP-UHFFFAOYSA-N -1 1 317.284 0.417 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3cccnn32)n1 ZINC001581754742 1165870622 /nfs/dbraw/zinc/87/06/22/1165870622.db2.gz JQVJCSLDNKTSLT-UHFFFAOYSA-N -1 1 309.293 0.500 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3cccnn32)n1 ZINC001581754742 1165870630 /nfs/dbraw/zinc/87/06/30/1165870630.db2.gz JQVJCSLDNKTSLT-UHFFFAOYSA-N -1 1 309.293 0.500 20 0 DCADMM Cn1cnc(C=CC(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001581808267 1165879112 /nfs/dbraw/zinc/87/91/12/1165879112.db2.gz UIXYCXQIUMHCAU-GORDUTHDSA-N -1 1 315.362 0.991 20 0 DCADMM NC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC001581903759 1165908607 /nfs/dbraw/zinc/90/86/07/1165908607.db2.gz XUZRCAXJZGFPBQ-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM NC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC001581903759 1165908611 /nfs/dbraw/zinc/90/86/11/1165908611.db2.gz XUZRCAXJZGFPBQ-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM CN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1nn[n-]n1 ZINC001587339785 1165908697 /nfs/dbraw/zinc/90/86/97/1165908697.db2.gz QEWWHNZBMGLMFW-UHFFFAOYSA-N -1 1 311.305 0.081 20 0 DCADMM NC(=O)c1ncc(NC(=O)c2csc(-c3nn[n-]n3)c2)s1 ZINC001581906330 1165909532 /nfs/dbraw/zinc/90/95/32/1165909532.db2.gz QRGWVZVQWSYNRS-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM Nc1ncncc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001581911423 1165911681 /nfs/dbraw/zinc/91/16/81/1165911681.db2.gz SFTZVAOQNMRKKT-UHFFFAOYSA-N -1 1 302.323 0.230 20 0 DCADMM Nc1ncncc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001581911423 1165911686 /nfs/dbraw/zinc/91/16/86/1165911686.db2.gz SFTZVAOQNMRKKT-UHFFFAOYSA-N -1 1 302.323 0.230 20 0 DCADMM O=C(CC1CC1)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001581969437 1165925837 /nfs/dbraw/zinc/92/58/37/1165925837.db2.gz CFYIVWMWZNAUGZ-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(CC1CC1)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001581969437 1165925842 /nfs/dbraw/zinc/92/58/42/1165925842.db2.gz CFYIVWMWZNAUGZ-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001582137604 1165965576 /nfs/dbraw/zinc/96/55/76/1165965576.db2.gz DGHHGXOUDLYIHO-ZJUUUORDSA-N -1 1 320.303 0.918 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001582137604 1165965580 /nfs/dbraw/zinc/96/55/80/1165965580.db2.gz DGHHGXOUDLYIHO-ZJUUUORDSA-N -1 1 320.303 0.918 20 0 DCADMM O=C(Cn1cc(C2CC2)cn1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582188380 1165978410 /nfs/dbraw/zinc/97/84/10/1165978410.db2.gz LYAFUCMHPKYQLE-UHFFFAOYSA-N -1 1 324.348 0.652 20 0 DCADMM O=C(Cn1cc(C2CC2)cn1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582188380 1165978413 /nfs/dbraw/zinc/97/84/13/1165978413.db2.gz LYAFUCMHPKYQLE-UHFFFAOYSA-N -1 1 324.348 0.652 20 0 DCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001582460129 1166022777 /nfs/dbraw/zinc/02/27/77/1166022777.db2.gz ZJSOBUNJZBCVRV-SECBINFHSA-N -1 1 314.353 0.009 20 0 DCADMM O=C(NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001582460129 1166022784 /nfs/dbraw/zinc/02/27/84/1166022784.db2.gz ZJSOBUNJZBCVRV-SECBINFHSA-N -1 1 314.353 0.009 20 0 DCADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001582534733 1166034568 /nfs/dbraw/zinc/03/45/68/1166034568.db2.gz FEOXWBOTSSOKCY-WAAGHKOSSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001582534733 1166034574 /nfs/dbraw/zinc/03/45/74/1166034574.db2.gz FEOXWBOTSSOKCY-WAAGHKOSSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001582549403 1166038503 /nfs/dbraw/zinc/03/85/03/1166038503.db2.gz YVBVOXHPZZGAIC-MYJAWHEDSA-N -1 1 320.378 0.308 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H](CCO)C1CC1 ZINC001582548398 1166038917 /nfs/dbraw/zinc/03/89/17/1166038917.db2.gz AILTWABNMIIIEO-SNVBAGLBSA-N -1 1 322.394 0.888 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H](CCO)C1CC1 ZINC001582548395 1166039125 /nfs/dbraw/zinc/03/91/25/1166039125.db2.gz AILTWABNMIIIEO-JTQLQIEISA-N -1 1 322.394 0.888 20 0 DCADMM O=C(NCc1ccc(=O)[nH]n1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582551427 1166039236 /nfs/dbraw/zinc/03/92/36/1166039236.db2.gz JXDHFQAWUHKBQJ-UHFFFAOYSA-N -1 1 315.268 0.431 20 0 DCADMM O=C(NCc1ccc(=O)[nH]n1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582551427 1166039243 /nfs/dbraw/zinc/03/92/43/1166039243.db2.gz JXDHFQAWUHKBQJ-UHFFFAOYSA-N -1 1 315.268 0.431 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NCC1(CCO)CC1 ZINC001582549749 1166039512 /nfs/dbraw/zinc/03/95/12/1166039512.db2.gz INAUUFSNTFRGKQ-UHFFFAOYSA-N -1 1 322.394 0.890 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCc2c[nH]nc2C1 ZINC001582554497 1166042594 /nfs/dbraw/zinc/04/25/94/1166042594.db2.gz LTOLQGCPMWXKJT-SNVBAGLBSA-N -1 1 324.348 0.406 20 0 DCADMM O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC001582583609 1166050307 /nfs/dbraw/zinc/05/03/07/1166050307.db2.gz BVIUTENCQUYUCY-GGZOMVNGSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC001582583609 1166050316 /nfs/dbraw/zinc/05/03/16/1166050316.db2.gz BVIUTENCQUYUCY-GGZOMVNGSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H](O)c1ccccc1Cl ZINC001582630826 1166054631 /nfs/dbraw/zinc/05/46/31/1166054631.db2.gz SSZVLHKZBCSGRD-SECBINFHSA-N -1 1 319.712 0.915 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H](O)c1ccccc1Cl ZINC001582630826 1166054638 /nfs/dbraw/zinc/05/46/38/1166054638.db2.gz SSZVLHKZBCSGRD-SECBINFHSA-N -1 1 319.712 0.915 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc2c(n1)OCCO2 ZINC001582650660 1166060620 /nfs/dbraw/zinc/06/06/20/1166060620.db2.gz ZWOGYXQFKVNYFH-UHFFFAOYSA-N -1 1 314.265 0.008 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H](c2cnccn2)C1 ZINC001582708454 1166069542 /nfs/dbraw/zinc/06/95/42/1166069542.db2.gz LFIMTIUCDGEGKJ-JTQLQIEISA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H](c2cnccn2)C1 ZINC001582708454 1166069547 /nfs/dbraw/zinc/06/95/47/1166069547.db2.gz LFIMTIUCDGEGKJ-JTQLQIEISA-N -1 1 322.332 0.681 20 0 DCADMM O[C@H](CNc1ncncc1-c1nn[n-]n1)COc1ccccc1 ZINC001582809942 1166089043 /nfs/dbraw/zinc/08/90/43/1166089043.db2.gz SWPSXHNCCBHBCH-SNVBAGLBSA-N -1 1 313.321 0.509 20 0 DCADMM CCn1cc(Cl)c(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)n1 ZINC001584142712 1166311241 /nfs/dbraw/zinc/31/12/41/1166311241.db2.gz UZCSFRPQHXUZCD-UHFFFAOYSA-N -1 1 321.728 0.848 20 0 DCADMM O=C(c1ccnc2ccncc21)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001585183334 1166410700 /nfs/dbraw/zinc/41/07/00/1166410700.db2.gz KTFFYXNEXXCXIG-LBPRGKRZSA-N -1 1 311.305 0.357 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@]1(C)CCNC1=O ZINC001585869578 1166463793 /nfs/dbraw/zinc/46/37/93/1166463793.db2.gz KJYPPEJLLPYHOR-OAHLLOKOSA-N -1 1 317.349 0.194 20 0 DCADMM Cc1ccn2ncc(C(=O)N3CCOC[C@@H]3c3nn[n-]n3)c2c1 ZINC001586806231 1166500153 /nfs/dbraw/zinc/50/01/53/1166500153.db2.gz QRFPATXNUHKFNP-GFCCVEGCSA-N -1 1 313.321 0.370 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NCCCN2CCOCC2)c1 ZINC001587018883 1166501757 /nfs/dbraw/zinc/50/17/57/1166501757.db2.gz NEZVQIMNEZHERC-UHFFFAOYSA-N -1 1 306.362 0.965 20 0 DCADMM Brc1cc(Cn2cc(-c3nn[n-]n3)nn2)ccn1 ZINC001588315639 1166522258 /nfs/dbraw/zinc/52/22/58/1166522258.db2.gz KUSHXEGJCRFPFC-UHFFFAOYSA-N -1 1 307.115 0.664 20 0 DCADMM CC(=O)N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588840177 1166605499 /nfs/dbraw/zinc/60/54/99/1166605499.db2.gz OXWQHHSGVSKTHB-WDEREUQCSA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588840177 1166605503 /nfs/dbraw/zinc/60/55/03/1166605503.db2.gz OXWQHHSGVSKTHB-WDEREUQCSA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)NCC1CCN(c2cc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588854744 1166608828 /nfs/dbraw/zinc/60/88/28/1166608828.db2.gz JRNQIZOFCSDRRQ-UHFFFAOYSA-N -1 1 315.381 0.923 20 0 DCADMM CC(=O)NCC1CCN(c2cc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588854744 1166608834 /nfs/dbraw/zinc/60/88/34/1166608834.db2.gz JRNQIZOFCSDRRQ-UHFFFAOYSA-N -1 1 315.381 0.923 20 0 DCADMM CC(=O)N[C@H](CC(C)C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001588872575 1166614269 /nfs/dbraw/zinc/61/42/69/1166614269.db2.gz ZMLWURLBGDDCNQ-MRVPVSSYSA-N -1 1 323.382 0.813 20 0 DCADMM CC(=O)N[C@H](CC(C)C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001588872575 1166614272 /nfs/dbraw/zinc/61/42/72/1166614272.db2.gz ZMLWURLBGDDCNQ-MRVPVSSYSA-N -1 1 323.382 0.813 20 0 DCADMM C[C@H](C(=O)N1CC[C@H]1C(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588952528 1166621480 /nfs/dbraw/zinc/62/14/80/1166621480.db2.gz WJWSQTMLYIOJNJ-BDAKNGLRSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@H](C(=O)N1CCCC12CCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001588954545 1166621582 /nfs/dbraw/zinc/62/15/82/1166621582.db2.gz NMKXKPYOWKONBD-SECBINFHSA-N -1 1 302.342 0.564 20 0 DCADMM C[C@H](C(=O)N[C@@H]1CCCC1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588974017 1166625188 /nfs/dbraw/zinc/62/51/88/1166625188.db2.gz WFKAGIVYDWCLGV-RKDXNWHRSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@H](C(=O)Nc1cccc(F)c1O)n1cnc(-c2nn[n-]n2)n1 ZINC001589018576 1166628493 /nfs/dbraw/zinc/62/84/93/1166628493.db2.gz HYIGFPBYKGLLSV-ZCFIWIBFSA-N -1 1 318.272 0.503 20 0 DCADMM C[C@H](C(=O)OCc1ccccn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589030576 1166630805 /nfs/dbraw/zinc/63/08/05/1166630805.db2.gz OIYSAYIGCJTPOU-MRVPVSSYSA-N -1 1 300.282 0.158 20 0 DCADMM C[C@H](C(=O)OCc1cccnc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029488 1166631290 /nfs/dbraw/zinc/63/12/90/1166631290.db2.gz BWHJFYLMUJYNHM-MRVPVSSYSA-N -1 1 300.282 0.158 20 0 DCADMM CC(C)CC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001589536237 1166665320 /nfs/dbraw/zinc/66/53/20/1166665320.db2.gz JKIAHQBLWGXBAG-UHFFFAOYSA-N -1 1 304.358 0.255 20 0 DCADMM CC(C)CC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001589536237 1166665322 /nfs/dbraw/zinc/66/53/22/1166665322.db2.gz JKIAHQBLWGXBAG-UHFFFAOYSA-N -1 1 304.358 0.255 20 0 DCADMM CC(C)C[C@H]1C(=O)NCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001589572583 1166666481 /nfs/dbraw/zinc/66/64/81/1166666481.db2.gz QOVUAROKTFDXDP-JTQLQIEISA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)C[C@H]1C(=O)NCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001589572583 1166666484 /nfs/dbraw/zinc/66/64/84/1166666484.db2.gz QOVUAROKTFDXDP-JTQLQIEISA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)OCC[C@H](O)COc1ccc(F)nc1-c1nn[n-]n1 ZINC001589746935 1166681835 /nfs/dbraw/zinc/68/18/35/1166681835.db2.gz NFAMWHZLMGVERT-VIFPVBQESA-N -1 1 311.317 0.956 20 0 DCADMM CC(C)c1nsc(NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001589779978 1166686028 /nfs/dbraw/zinc/68/60/28/1166686028.db2.gz YYCOGCNMIGVLRN-UHFFFAOYSA-N -1 1 306.359 0.545 20 0 DCADMM C[C@H](CCNC(=O)c1ccnc(-c2nnn[n-]2)c1)[S@@](C)=O ZINC001589826294 1166695351 /nfs/dbraw/zinc/69/53/51/1166695351.db2.gz RQDYCBBSEMVLKV-IJSAXESFSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@H](CCNC(=O)c1ccnc(-c2nn[n-]n2)c1)[S@@](C)=O ZINC001589826294 1166695353 /nfs/dbraw/zinc/69/53/53/1166695353.db2.gz RQDYCBBSEMVLKV-IJSAXESFSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@@H](CNC(=O)CC1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589855236 1166700631 /nfs/dbraw/zinc/70/06/31/1166700631.db2.gz SEGCNXWXRQTXNN-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNC(=O)CC1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589855236 1166700635 /nfs/dbraw/zinc/70/06/35/1166700635.db2.gz SEGCNXWXRQTXNN-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589857921 1166700762 /nfs/dbraw/zinc/70/07/62/1166700762.db2.gz GELRDRNGLQVPRH-IWSPIJDZSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589857921 1166700765 /nfs/dbraw/zinc/70/07/65/1166700765.db2.gz GELRDRNGLQVPRH-IWSPIJDZSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1csnn1 ZINC001589944319 1166725915 /nfs/dbraw/zinc/72/59/15/1166725915.db2.gz DVUSIEAOPRLXKD-LURJTMIESA-N -1 1 302.323 0.604 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1csnn1 ZINC001589944319 1166725924 /nfs/dbraw/zinc/72/59/24/1166725924.db2.gz DVUSIEAOPRLXKD-LURJTMIESA-N -1 1 302.323 0.604 20 0 DCADMM C[C@H](O)[C@H]1CCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590001114 1166747127 /nfs/dbraw/zinc/74/71/27/1166747127.db2.gz KDYRBEXIMAFIBE-IONNQARKSA-N -1 1 323.382 0.378 20 0 DCADMM C[C@H](O)[C@H]1CCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590001114 1166747134 /nfs/dbraw/zinc/74/71/34/1166747134.db2.gz KDYRBEXIMAFIBE-IONNQARKSA-N -1 1 323.382 0.378 20 0 DCADMM C[C@@H](c1nc(-c2cocn2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590053161 1166759208 /nfs/dbraw/zinc/75/92/08/1166759208.db2.gz FJFQOMGVHASOGA-YFKPBYRVSA-N -1 1 300.242 0.106 20 0 DCADMM CC1([C@@H]2CCCN(c3ncncc3-c3nn[n-]n3)C2)OCCO1 ZINC001590119403 1166783137 /nfs/dbraw/zinc/78/31/37/1166783137.db2.gz BTEWHMLEPXOGHB-SNVBAGLBSA-N -1 1 317.353 0.636 20 0 DCADMM C[C@@]1(NC(=O)C2CC2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590143642 1166788786 /nfs/dbraw/zinc/78/87/86/1166788786.db2.gz LLQUEEICBNRBBF-CQSZACIVSA-N -1 1 314.353 0.152 20 0 DCADMM C[C@@]1(NC(=O)C2CC2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590143642 1166788788 /nfs/dbraw/zinc/78/87/88/1166788788.db2.gz LLQUEEICBNRBBF-CQSZACIVSA-N -1 1 314.353 0.152 20 0 DCADMM C[C@]1(OC(=O)c2ccc(-c3nn[n-]n3)o2)CCS(=O)(=O)C1 ZINC001590149852 1166791833 /nfs/dbraw/zinc/79/18/33/1166791833.db2.gz FNBFZFKLFMMWRK-NSHDSACASA-N -1 1 312.307 0.194 20 0 DCADMM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@@H+]1CCF ZINC001590171469 1166798990 /nfs/dbraw/zinc/79/89/90/1166798990.db2.gz RIHPLJYPGUFFMX-GXSJLCMTSA-N -1 1 321.360 0.747 20 0 DCADMM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@H+]1CCF ZINC001590171469 1166798993 /nfs/dbraw/zinc/79/89/93/1166798993.db2.gz RIHPLJYPGUFFMX-GXSJLCMTSA-N -1 1 321.360 0.747 20 0 DCADMM C[C@H](C(=O)N[C@@H]1CS[C@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590196491 1166805959 /nfs/dbraw/zinc/80/59/59/1166805959.db2.gz IVMAPMZSMWTPLH-PRJMDXOYSA-N -1 1 308.371 0.029 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590195196 1166806814 /nfs/dbraw/zinc/80/68/14/1166806814.db2.gz YJEWYJSFKZECDJ-ZJUUUORDSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001590195196 1166806821 /nfs/dbraw/zinc/80/68/21/1166806821.db2.gz YJEWYJSFKZECDJ-ZJUUUORDSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)c2ncnn21 ZINC001590203245 1166811882 /nfs/dbraw/zinc/81/18/82/1166811882.db2.gz PCXMAGUGQXWEMI-GMSGAONNSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)c2ncnn21 ZINC001590203245 1166811895 /nfs/dbraw/zinc/81/18/95/1166811895.db2.gz PCXMAGUGQXWEMI-GMSGAONNSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)C1CC1 ZINC001590207892 1166814378 /nfs/dbraw/zinc/81/43/78/1166814378.db2.gz BQNQNPXOVXKUFO-SCZZXKLOSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)C1CC1 ZINC001590207892 1166814380 /nfs/dbraw/zinc/81/43/80/1166814380.db2.gz BQNQNPXOVXKUFO-SCZZXKLOSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCS1(=O)=O ZINC001590211076 1166815229 /nfs/dbraw/zinc/81/52/29/1166815229.db2.gz HOWPQGSIRVLBRK-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCS1(=O)=O ZINC001590211076 1166815233 /nfs/dbraw/zinc/81/52/33/1166815233.db2.gz HOWPQGSIRVLBRK-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590226851 1166822138 /nfs/dbraw/zinc/82/21/38/1166822138.db2.gz HDPAXQILZAKZND-RKDXNWHRSA-N -1 1 315.337 0.600 20 0 DCADMM C[C@@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590226851 1166822146 /nfs/dbraw/zinc/82/21/46/1166822146.db2.gz HDPAXQILZAKZND-RKDXNWHRSA-N -1 1 315.337 0.600 20 0 DCADMM C[C@H]1CCC[C@H](Cn2cnc3ncc(-c4nn[n-]n4)c(=O)n32)C1 ZINC001590240151 1166824123 /nfs/dbraw/zinc/82/41/23/1166824123.db2.gz CWSWUOVWMCMFCK-UWVGGRQHSA-N -1 1 314.353 0.897 20 0 DCADMM C[C@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CS1(=O)=O ZINC001590236571 1166824153 /nfs/dbraw/zinc/82/41/53/1166824153.db2.gz KVUPEFSITIQLAR-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CS1(=O)=O ZINC001590236571 1166824156 /nfs/dbraw/zinc/82/41/56/1166824156.db2.gz KVUPEFSITIQLAR-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCC1(F)F ZINC001590310433 1166855574 /nfs/dbraw/zinc/85/55/74/1166855574.db2.gz RKYNCWZODYTDTL-SECBINFHSA-N -1 1 310.308 0.963 20 0 DCADMM C[C@H]1NC(=O)N(CCSc2cccnc2-c2nnn[n-]2)C1=O ZINC001590332174 1166868002 /nfs/dbraw/zinc/86/80/02/1166868002.db2.gz VZJDBNOERHMKOP-SSDOTTSWSA-N -1 1 319.350 0.294 20 0 DCADMM C[C@H]1NC(=O)N(CCSc2cccnc2-c2nn[n-]n2)C1=O ZINC001590332174 1166868008 /nfs/dbraw/zinc/86/80/08/1166868008.db2.gz VZJDBNOERHMKOP-SSDOTTSWSA-N -1 1 319.350 0.294 20 0 DCADMM 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CCO[C@H]1[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[C@@H]1C ZINC001590786802 1167021520 /nfs/dbraw/zinc/02/15/20/1167021520.db2.gz USYQWRTYCTXCNB-XXILOJSOSA-N -1 1 303.322 0.976 20 0 DCADMM CCO[C@H]1[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001590786802 1167021529 /nfs/dbraw/zinc/02/15/29/1167021529.db2.gz USYQWRTYCTXCNB-XXILOJSOSA-N -1 1 303.322 0.976 20 0 DCADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1OC ZINC001590791557 1167021614 /nfs/dbraw/zinc/02/16/14/1167021614.db2.gz HALXMYCVZXIUAC-QJPTWQEYSA-N -1 1 318.337 0.184 20 0 DCADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1OC ZINC001590791557 1167021622 /nfs/dbraw/zinc/02/16/22/1167021622.db2.gz HALXMYCVZXIUAC-QJPTWQEYSA-N -1 1 318.337 0.184 20 0 DCADMM CCOCCN1CC(OC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590812845 1167025262 /nfs/dbraw/zinc/02/52/62/1167025262.db2.gz QLJDOFPICDYQOE-UHFFFAOYSA-N -1 1 307.310 0.337 20 0 DCADMM CCOCCN1CC(OC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590812845 1167025269 /nfs/dbraw/zinc/02/52/69/1167025269.db2.gz QLJDOFPICDYQOE-UHFFFAOYSA-N -1 1 307.310 0.337 20 0 DCADMM CCc1coc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001590901873 1167042563 /nfs/dbraw/zinc/04/25/63/1167042563.db2.gz MDSXRMRLEPNRNL-ZCFIWIBFSA-N -1 1 303.286 0.208 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCO[C@@H]3COCC[C@@H]32)n1 ZINC001590907646 1167045190 /nfs/dbraw/zinc/04/51/90/1167045190.db2.gz GEHNEWBZBNCYOO-WDEREUQCSA-N -1 1 317.353 0.213 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCO[C@@H]3COCC[C@@H]32)n1 ZINC001590907646 1167045278 /nfs/dbraw/zinc/04/52/78/1167045278.db2.gz GEHNEWBZBNCYOO-WDEREUQCSA-N -1 1 317.353 0.213 20 0 DCADMM CCc1nc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)no1 ZINC001590913971 1167048828 /nfs/dbraw/zinc/04/88/28/1167048828.db2.gz SXKCSNAVBRDASD-UHFFFAOYSA-N -1 1 313.321 0.511 20 0 DCADMM CCc1nc(N[C@H](CO)c2ncc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001590915902 1167049048 /nfs/dbraw/zinc/04/90/48/1167049048.db2.gz WOGOWPFTUGSUFY-MRVPVSSYSA-N -1 1 301.314 0.088 20 0 DCADMM CCc1nc(N[C@H](CO)c2ncc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001590915902 1167049054 /nfs/dbraw/zinc/04/90/54/1167049054.db2.gz WOGOWPFTUGSUFY-MRVPVSSYSA-N -1 1 301.314 0.088 20 0 DCADMM CCc1nn(CCc2cn[nH]c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929648 1167053812 /nfs/dbraw/zinc/05/38/12/1167053812.db2.gz IDNYOAVIHIEPTA-UHFFFAOYSA-N -1 1 314.353 0.514 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CC(C)(C)CO2)c1=O ZINC001590950113 1167056150 /nfs/dbraw/zinc/05/61/50/1167056150.db2.gz RDJHVZWSGLDTOU-VIFPVBQESA-N -1 1 320.353 0.025 20 0 DCADMM CCn1cc([C@@H](C)OC(=O)c2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001590952106 1167056784 /nfs/dbraw/zinc/05/67/84/1167056784.db2.gz SAAQKYWIVNJEPY-MRVPVSSYSA-N -1 1 314.309 0.791 20 0 DCADMM CCn1cc([C@@H](C)OC(=O)c2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001590952106 1167056788 /nfs/dbraw/zinc/05/67/88/1167056788.db2.gz SAAQKYWIVNJEPY-MRVPVSSYSA-N -1 1 314.309 0.791 20 0 DCADMM CCn1cc(CCn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)cn1 ZINC001590953759 1167059217 /nfs/dbraw/zinc/05/92/17/1167059217.db2.gz 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COC(=O)c1ccc(N(C)C[C@H]2CCOC2)c(-c2nnn[n-]2)n1 ZINC001591293758 1167203783 /nfs/dbraw/zinc/20/37/83/1167203783.db2.gz MKSWMUTYGHMWDH-SECBINFHSA-N -1 1 318.337 0.521 20 0 DCADMM COC(=O)c1ccc(N(C)C[C@H]2CCOC2)c(-c2nn[n-]n2)n1 ZINC001591293758 1167203791 /nfs/dbraw/zinc/20/37/91/1167203791.db2.gz MKSWMUTYGHMWDH-SECBINFHSA-N -1 1 318.337 0.521 20 0 DCADMM COC(=O)c1ccc(NCC(F)(F)CO)c(-c2nnn[n-]2)n1 ZINC001591296738 1167203846 /nfs/dbraw/zinc/20/38/46/1167203846.db2.gz XVYAQUYNWDMDCI-UHFFFAOYSA-N -1 1 314.252 0.088 20 0 DCADMM COC(=O)c1ccc(NCC(F)(F)CO)c(-c2nn[n-]n2)n1 ZINC001591296738 1167203850 /nfs/dbraw/zinc/20/38/50/1167203850.db2.gz XVYAQUYNWDMDCI-UHFFFAOYSA-N -1 1 314.252 0.088 20 0 DCADMM COC(=O)c1occc1CNc1nccnc1-c1nnn[n-]1 ZINC001591308578 1167205907 /nfs/dbraw/zinc/20/59/07/1167205907.db2.gz LMCNEUGVJPNMKY-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM COC(=O)c1occc1CNc1nccnc1-c1nn[n-]n1 ZINC001591308578 1167205914 /nfs/dbraw/zinc/20/59/14/1167205914.db2.gz LMCNEUGVJPNMKY-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM COC(=O)c1cncc(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001591305764 1167206604 /nfs/dbraw/zinc/20/66/04/1167206604.db2.gz GRTHVPFMLNOTBK-UHFFFAOYSA-N -1 1 312.293 0.450 20 0 DCADMM COC(=O)c1cncc(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001591305764 1167206614 /nfs/dbraw/zinc/20/66/14/1167206614.db2.gz GRTHVPFMLNOTBK-UHFFFAOYSA-N -1 1 312.293 0.450 20 0 DCADMM CO[C@H](CNC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001591329974 1167216783 /nfs/dbraw/zinc/21/67/83/1167216783.db2.gz PMJIIFRFUHIWGB-MRVPVSSYSA-N -1 1 316.243 0.569 20 0 DCADMM CO[C@H](CNC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001591329974 1167216791 /nfs/dbraw/zinc/21/67/91/1167216791.db2.gz PMJIIFRFUHIWGB-MRVPVSSYSA-N -1 1 316.243 0.569 20 0 DCADMM CO[C@H](CNC(=O)c1ccsc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001591329536 1167217787 /nfs/dbraw/zinc/21/77/87/1167217787.db2.gz LHDAKRVDHAUXTK-WCBMZHEXSA-N -1 1 323.378 0.710 20 0 DCADMM CO[C@H](CNC(=O)c1ccsc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC001591329536 1167217795 /nfs/dbraw/zinc/21/77/95/1167217795.db2.gz LHDAKRVDHAUXTK-WCBMZHEXSA-N -1 1 323.378 0.710 20 0 DCADMM CO[C@@H](CNC(=O)c1ccsc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001591329538 1167218744 /nfs/dbraw/zinc/21/87/44/1167218744.db2.gz LHDAKRVDHAUXTK-WPRPVWTQSA-N -1 1 323.378 0.710 20 0 DCADMM CO[C@@H](CNC(=O)c1ccsc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC001591329538 1167218750 /nfs/dbraw/zinc/21/87/50/1167218750.db2.gz LHDAKRVDHAUXTK-WPRPVWTQSA-N -1 1 323.378 0.710 20 0 DCADMM COC1(CC(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)CCC1 ZINC001591341403 1167222201 /nfs/dbraw/zinc/22/22/01/1167222201.db2.gz SSNOARNBJAACAY-UHFFFAOYSA-N -1 1 305.342 0.806 20 0 DCADMM COC1(CC(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)CCC1 ZINC001591341403 1167222208 /nfs/dbraw/zinc/22/22/08/1167222208.db2.gz SSNOARNBJAACAY-UHFFFAOYSA-N -1 1 305.342 0.806 20 0 DCADMM CO[C@H]1CC[C@H](C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)C1 ZINC001591348818 1167226920 /nfs/dbraw/zinc/22/69/20/1167226920.db2.gz XMNUKECASWMBTE-IUCAKERBSA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@H]1CC[C@H](C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)C1 ZINC001591348818 1167226928 /nfs/dbraw/zinc/22/69/28/1167226928.db2.gz XMNUKECASWMBTE-IUCAKERBSA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591353091 1167230311 /nfs/dbraw/zinc/23/03/11/1167230311.db2.gz GWBBZHQTRTVPRN-DTWKUNHWSA-N -1 1 306.330 0.241 20 0 DCADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591353091 1167230316 /nfs/dbraw/zinc/23/03/16/1167230316.db2.gz GWBBZHQTRTVPRN-DTWKUNHWSA-N -1 1 306.330 0.241 20 0 DCADMM CO[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001591357730 1167232107 /nfs/dbraw/zinc/23/21/07/1167232107.db2.gz PMPRKZUCDCGSBF-UWVGGRQHSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001591357730 1167232112 /nfs/dbraw/zinc/23/21/12/1167232112.db2.gz PMPRKZUCDCGSBF-UWVGGRQHSA-N -1 1 302.338 0.901 20 0 DCADMM COC[C@](C)(O)CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591371362 1167244732 /nfs/dbraw/zinc/24/47/32/1167244732.db2.gz REHKMGGSAXHELD-CQSZACIVSA-N -1 1 319.369 0.734 20 0 DCADMM COC[C@](C)(O)CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591371362 1167244736 /nfs/dbraw/zinc/24/47/36/1167244736.db2.gz REHKMGGSAXHELD-CQSZACIVSA-N -1 1 319.369 0.734 20 0 DCADMM COC[C@H](CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001591375584 1167247866 /nfs/dbraw/zinc/24/78/66/1167247866.db2.gz GBOLTUCZQQZJLP-ZJUUUORDSA-N -1 1 322.373 0.054 20 0 DCADMM COC[C@@]1(C(=O)OC)CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001591385720 1167254366 /nfs/dbraw/zinc/25/43/66/1167254366.db2.gz CZTNUBQUTACGAV-CQSZACIVSA-N -1 1 321.337 0.614 20 0 DCADMM COC[C@@]1(C(=O)OC)CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001591385720 1167254372 /nfs/dbraw/zinc/25/43/72/1167254372.db2.gz CZTNUBQUTACGAV-CQSZACIVSA-N -1 1 321.337 0.614 20 0 DCADMM COC[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591386652 1167256193 /nfs/dbraw/zinc/25/61/93/1167256193.db2.gz TVVNUZBMAJEBGI-AWEZNQCLSA-N -1 1 302.338 0.760 20 0 DCADMM COC[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591386652 1167256197 /nfs/dbraw/zinc/25/61/97/1167256197.db2.gz TVVNUZBMAJEBGI-AWEZNQCLSA-N -1 1 302.338 0.760 20 0 DCADMM COCC1(O)CCN(C(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001591390234 1167257112 /nfs/dbraw/zinc/25/71/12/1167257112.db2.gz DWVBNXMKYAGJAZ-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM COCC1(O)CCN(C(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001591390234 1167257117 /nfs/dbraw/zinc/25/71/17/1167257117.db2.gz DWVBNXMKYAGJAZ-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM COCC1(CCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC001591387375 1167257815 /nfs/dbraw/zinc/25/78/15/1167257815.db2.gz JRUHJAZSJJGRLZ-UHFFFAOYSA-N -1 1 320.357 0.538 20 0 DCADMM COCC1(CCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC001591387375 1167257817 /nfs/dbraw/zinc/25/78/17/1167257817.db2.gz JRUHJAZSJJGRLZ-UHFFFAOYSA-N -1 1 320.357 0.538 20 0 DCADMM COC[C@@H]1CCCN1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591393924 1167260767 /nfs/dbraw/zinc/26/07/67/1167260767.db2.gz IYNMSBDFCZKDIN-VIFPVBQESA-N -1 1 308.367 0.684 20 0 DCADMM COCC[C@@](C)(O)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591398247 1167266735 /nfs/dbraw/zinc/26/67/35/1167266735.db2.gz SBEOWJHRAOMAOM-CQSZACIVSA-N -1 1 319.369 0.734 20 0 DCADMM COCC[C@@](C)(O)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591398247 1167266739 /nfs/dbraw/zinc/26/67/39/1167266739.db2.gz SBEOWJHRAOMAOM-CQSZACIVSA-N -1 1 319.369 0.734 20 0 DCADMM COCCN(CCF)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001591424220 1167276978 /nfs/dbraw/zinc/27/69/78/1167276978.db2.gz QEYQSZSREAPOPW-UHFFFAOYSA-N -1 1 324.316 0.334 20 0 DCADMM COCCO[C@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001591432982 1167283052 /nfs/dbraw/zinc/28/30/52/1167283052.db2.gz LEOMYWDUNRSJHQ-JTQLQIEISA-N -1 1 305.342 0.289 20 0 DCADMM CO[C@@H]1CCC[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591469291 1167302935 /nfs/dbraw/zinc/30/29/35/1167302935.db2.gz PHJQCARKXJTUJT-MWLCHTKSSA-N -1 1 303.326 0.951 20 0 DCADMM CO[C@@H]1CCC[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591469291 1167302939 /nfs/dbraw/zinc/30/29/39/1167302939.db2.gz PHJQCARKXJTUJT-MWLCHTKSSA-N -1 1 303.326 0.951 20 0 DCADMM COc1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)on1 ZINC001591518815 1167322895 /nfs/dbraw/zinc/32/28/95/1167322895.db2.gz MRLYAVBUEGLCCB-UHFFFAOYSA-N -1 1 302.250 0.615 20 0 DCADMM COc1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)on1 ZINC001591518815 1167322903 /nfs/dbraw/zinc/32/29/03/1167322903.db2.gz MRLYAVBUEGLCCB-UHFFFAOYSA-N -1 1 302.250 0.615 20 0 DCADMM COc1cc(C)cnc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591522312 1167323182 /nfs/dbraw/zinc/32/31/82/1167323182.db2.gz RAIGMZIKEGWLGA-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1cc(C)cnc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591522312 1167323189 /nfs/dbraw/zinc/32/31/89/1167323189.db2.gz RAIGMZIKEGWLGA-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(Cl)n1 ZINC001591573711 1167334435 /nfs/dbraw/zinc/33/44/35/1167334435.db2.gz GBHCUHGCWCQGNQ-UHFFFAOYSA-N -1 1 320.700 0.899 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(Cl)n1 ZINC001591573711 1167334436 /nfs/dbraw/zinc/33/44/36/1167334436.db2.gz GBHCUHGCWCQGNQ-UHFFFAOYSA-N -1 1 320.700 0.899 20 0 DCADMM COc1nc(Cl)c(CNc2n[nH]c(C)c2-c2nnn[n-]2)n1C ZINC001591662498 1167344345 /nfs/dbraw/zinc/34/43/45/1167344345.db2.gz BWFPXRDKALFLNU-UHFFFAOYSA-N -1 1 323.748 0.906 20 0 DCADMM COc1nc(Cl)c(CNc2n[nH]c(C)c2-c2nn[n-]n2)n1C ZINC001591662498 1167344350 /nfs/dbraw/zinc/34/43/50/1167344350.db2.gz BWFPXRDKALFLNU-UHFFFAOYSA-N -1 1 323.748 0.906 20 0 DCADMM C[S@](=O)[C@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001591682203 1167351792 /nfs/dbraw/zinc/35/17/92/1167351792.db2.gz GFCIVOQMZLSODJ-SYLNSOGPSA-N -1 1 307.383 0.758 20 0 DCADMM C[S@](=O)[C@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001591682203 1167351796 /nfs/dbraw/zinc/35/17/96/1167351796.db2.gz GFCIVOQMZLSODJ-SYLNSOGPSA-N -1 1 307.383 0.758 20 0 DCADMM CS(=O)(=O)CCCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001591674602 1167352040 /nfs/dbraw/zinc/35/20/40/1167352040.db2.gz KQWHUHRDVVIHQI-UHFFFAOYSA-N -1 1 311.371 0.284 20 0 DCADMM CS(=O)(=O)CCCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001591674602 1167352044 /nfs/dbraw/zinc/35/20/44/1167352044.db2.gz KQWHUHRDVVIHQI-UHFFFAOYSA-N -1 1 311.371 0.284 20 0 DCADMM CS[C@H]1CCN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)C1 ZINC001591693861 1167355444 /nfs/dbraw/zinc/35/54/44/1167355444.db2.gz VAZKQYBTZAPGLN-JTQLQIEISA-N -1 1 306.395 0.732 20 0 DCADMM CSC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591694977 1167356317 /nfs/dbraw/zinc/35/63/17/1167356317.db2.gz BLSQIWDQACQLNV-SSDOTTSWSA-N -1 1 321.366 0.068 20 0 DCADMM CSC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591694977 1167356320 /nfs/dbraw/zinc/35/63/20/1167356320.db2.gz BLSQIWDQACQLNV-SSDOTTSWSA-N -1 1 321.366 0.068 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CCC1 ZINC001591725363 1167361388 /nfs/dbraw/zinc/36/13/88/1167361388.db2.gz OPJFSZHVBAFHLP-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CCC1 ZINC001591725363 1167361395 /nfs/dbraw/zinc/36/13/95/1167361395.db2.gz OPJFSZHVBAFHLP-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H]1CC[C@@H](O)CN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591735057 1167364123 /nfs/dbraw/zinc/36/41/23/1167364123.db2.gz OMVVXVIVSLSPHD-PSASIEDQSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@@H]1CC[C@@H](O)CN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591735057 1167364128 /nfs/dbraw/zinc/36/41/28/1167364128.db2.gz OMVVXVIVSLSPHD-PSASIEDQSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001591758940 1167368542 /nfs/dbraw/zinc/36/85/42/1167368542.db2.gz WDFFTHPADGNDNO-HZGVNTEJSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1[C@H](C(F)(F)F)OCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001591758940 1167368548 /nfs/dbraw/zinc/36/85/48/1167368548.db2.gz WDFFTHPADGNDNO-HZGVNTEJSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1cccs1 ZINC001591770908 1167370580 /nfs/dbraw/zinc/37/05/80/1167370580.db2.gz PIMJDNFFIGHEEV-LURJTMIESA-N -1 1 319.350 0.901 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001591776261 1167374587 /nfs/dbraw/zinc/37/45/87/1167374587.db2.gz COHVKUKCWKSFQU-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@H](OCc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001591778174 1167374842 /nfs/dbraw/zinc/37/48/42/1167374842.db2.gz GQWQEYZXAGWOBF-VIFPVBQESA-N -1 1 313.321 0.891 20 0 DCADMM C[C@H]1COC(C)(C)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591774349 1167375030 /nfs/dbraw/zinc/37/50/30/1167375030.db2.gz BHGOOCRWGMAOCM-VIFPVBQESA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H]1COC(C)(C)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591774349 1167375037 /nfs/dbraw/zinc/37/50/37/1167375037.db2.gz BHGOOCRWGMAOCM-VIFPVBQESA-N -1 1 302.338 0.901 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cn(C)nc2Cl)nn1C ZINC001591796954 1167380514 /nfs/dbraw/zinc/38/05/14/1167380514.db2.gz KOOWXYOJUGENPR-UHFFFAOYSA-N -1 1 321.732 0.548 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cn(C)nc2Cl)nn1C ZINC001591796954 1167380517 /nfs/dbraw/zinc/38/05/17/1167380517.db2.gz KOOWXYOJUGENPR-UHFFFAOYSA-N -1 1 321.732 0.548 20 0 DCADMM Cc1c(F)cccc1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001591822661 1167388045 /nfs/dbraw/zinc/38/80/45/1167388045.db2.gz DLYZIXCHMBZPPT-UHFFFAOYSA-N -1 1 316.300 0.336 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@]1(C)CCCO1 ZINC001591835512 1167390333 /nfs/dbraw/zinc/39/03/33/1167390333.db2.gz CJEVUYHHYHAMAE-AWEZNQCLSA-N -1 1 318.337 0.575 20 0 DCADMM Cc1nc[nH]c1CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001591835595 1167390605 /nfs/dbraw/zinc/39/06/05/1167390605.db2.gz MGXSNPIXDFYRCX-UHFFFAOYSA-N -1 1 314.309 0.237 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ccns1 ZINC001591836521 1167391492 /nfs/dbraw/zinc/39/14/92/1167391492.db2.gz ZQJVAGJLFJNABU-UHFFFAOYSA-N -1 1 303.307 0.985 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H](O)C(F)(F)F)n1 ZINC001591883531 1167409255 /nfs/dbraw/zinc/40/92/55/1167409255.db2.gz TWWVXIVTLRFKMZ-SSDOTTSWSA-N -1 1 303.248 0.325 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H](O)C(F)(F)F)n1 ZINC001591883531 1167409258 /nfs/dbraw/zinc/40/92/58/1167409258.db2.gz TWWVXIVTLRFKMZ-SSDOTTSWSA-N -1 1 303.248 0.325 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)n1 ZINC001591884230 1167409762 /nfs/dbraw/zinc/40/97/62/1167409762.db2.gz SVYQEHYLXBSUEH-DOJKMWFOSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)n1 ZINC001591884230 1167409763 /nfs/dbraw/zinc/40/97/63/1167409763.db2.gz SVYQEHYLXBSUEH-DOJKMWFOSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@]2(O)CCCOC2)n1 ZINC001591895393 1167414222 /nfs/dbraw/zinc/41/42/22/1167414222.db2.gz IEVFOUZKOKVINQ-ZDUSSCGKSA-N -1 1 305.342 0.309 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@]2(O)CCCOC2)n1 ZINC001591895393 1167414225 /nfs/dbraw/zinc/41/42/25/1167414225.db2.gz IEVFOUZKOKVINQ-ZDUSSCGKSA-N -1 1 305.342 0.309 20 0 DCADMM Cc1cc(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)co1 ZINC001591927508 1167420553 /nfs/dbraw/zinc/42/05/53/1167420553.db2.gz OUIZWJKTJKMNNL-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1cc(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)co1 ZINC001591927508 1167420557 /nfs/dbraw/zinc/42/05/57/1167420557.db2.gz OUIZWJKTJKMNNL-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cc(C)[nH]c(=O)c2)c1-c1nn[n-]n1 ZINC001591932522 1167421455 /nfs/dbraw/zinc/42/14/55/1167421455.db2.gz BMSBSFMUTZVLEE-UHFFFAOYSA-N -1 1 300.282 0.560 20 0 DCADMM Cc1cc(C)c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(=O)[nH]1 ZINC001591947024 1167423770 /nfs/dbraw/zinc/42/37/70/1167423770.db2.gz KPECNKUMFWKUOV-UHFFFAOYSA-N -1 1 300.282 0.560 20 0 DCADMM Cc1cc(C)c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(=O)[nH]1 ZINC001591947024 1167423772 /nfs/dbraw/zinc/42/37/72/1167423772.db2.gz KPECNKUMFWKUOV-UHFFFAOYSA-N -1 1 300.282 0.560 20 0 DCADMM Cc1cc(C)n([C@H](C)C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)n1 ZINC001591955641 1167426477 /nfs/dbraw/zinc/42/64/77/1167426477.db2.gz VYZIEKYWGVLMGV-SECBINFHSA-N -1 1 315.341 0.911 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CCCS(=O)(=O)C1 ZINC001592115129 1167457577 /nfs/dbraw/zinc/45/75/77/1167457577.db2.gz YXWDUFLCPOJAPO-JTQLQIEISA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(C[C@H](CO)Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592147750 1167464453 /nfs/dbraw/zinc/46/44/53/1167464453.db2.gz GAQDJMPZNPYKSU-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccc(C[C@H](CO)Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592147750 1167464459 /nfs/dbraw/zinc/46/44/59/1167464459.db2.gz GAQDJMPZNPYKSU-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccc(NCC(=O)N2CCCCC2)nc1-c1nnn[n-]1 ZINC001592183459 1167469786 /nfs/dbraw/zinc/46/97/86/1167469786.db2.gz FBFZZZJZUXCURM-UHFFFAOYSA-N -1 1 301.354 0.995 20 0 DCADMM Cc1ccc(NCC(=O)N2CCCCC2)nc1-c1nn[n-]n1 ZINC001592183459 1167469791 /nfs/dbraw/zinc/46/97/91/1167469791.db2.gz FBFZZZJZUXCURM-UHFFFAOYSA-N -1 1 301.354 0.995 20 0 DCADMM Cc1ccc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)nc1-c1nnn[n-]1 ZINC001592177644 1167469963 /nfs/dbraw/zinc/46/99/63/1167469963.db2.gz DYCBSGDHVLAYMS-MNOVXSKESA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001592177644 1167469969 /nfs/dbraw/zinc/46/99/69/1167469969.db2.gz DYCBSGDHVLAYMS-MNOVXSKESA-N -1 1 313.365 0.675 20 0 DCADMM Cc1nc2n(n1)C[C@H](Nc1ccc(C)nc1-c1nnn[n-]1)CC2 ZINC001592183991 1167472744 /nfs/dbraw/zinc/47/27/44/1167472744.db2.gz NTMHQZGEHIPNCL-SNVBAGLBSA-N -1 1 311.353 0.897 20 0 DCADMM Cc1nc2n(n1)C[C@H](Nc1ccc(C)nc1-c1nn[n-]n1)CC2 ZINC001592183991 1167472747 /nfs/dbraw/zinc/47/27/47/1167472747.db2.gz NTMHQZGEHIPNCL-SNVBAGLBSA-N -1 1 311.353 0.897 20 0 DCADMM Cc1ccc(N[C@H]2CC[C@@H](O)[C@@H](O)CC2)nc1-c1nnn[n-]1 ZINC001592184554 1167473453 /nfs/dbraw/zinc/47/34/53/1167473453.db2.gz UQBJJVLJIYZQRU-JGPRNRPPSA-N -1 1 304.354 0.646 20 0 DCADMM Cc1ccc(N[C@H]2CC[C@@H](O)[C@@H](O)CC2)nc1-c1nn[n-]n1 ZINC001592184554 1167473462 /nfs/dbraw/zinc/47/34/62/1167473462.db2.gz UQBJJVLJIYZQRU-JGPRNRPPSA-N -1 1 304.354 0.646 20 0 DCADMM Cc1ccccc1C(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001592251219 1167479229 /nfs/dbraw/zinc/47/92/29/1167479229.db2.gz USKUCVSUZFQXRE-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1ccccc1C(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001592251219 1167479232 /nfs/dbraw/zinc/47/92/32/1167479232.db2.gz USKUCVSUZFQXRE-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1cnc2c(cnn2CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001592294749 1167485057 /nfs/dbraw/zinc/48/50/57/1167485057.db2.gz JHYUWQJGZRMSRO-UHFFFAOYSA-N -1 1 324.308 0.282 20 0 DCADMM Cc1[nH]nc(NC(=O)CCn2ccccc2=O)c1-c1nn[n-]n1 ZINC001592327836 1167489550 /nfs/dbraw/zinc/48/95/50/1167489550.db2.gz IMKAIKGWTQWJEJ-UHFFFAOYSA-N -1 1 314.309 0.089 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@](O)(C(F)(F)F)C2)n1 ZINC001592338346 1167493562 /nfs/dbraw/zinc/49/35/62/1167493562.db2.gz ZVCDYODNSHKHON-SNVBAGLBSA-N -1 1 315.259 0.469 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@](O)(C(F)(F)F)C2)n1 ZINC001592338346 1167493565 /nfs/dbraw/zinc/49/35/65/1167493565.db2.gz ZVCDYODNSHKHON-SNVBAGLBSA-N -1 1 315.259 0.469 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[S@@](=O)C[C@@H](C)C2)n1 ZINC001592341149 1167495386 /nfs/dbraw/zinc/49/53/86/1167495386.db2.gz MSNFVBGKWPAGKZ-HXNGOWOSSA-N -1 1 307.383 0.170 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[S@@](=O)C[C@@H](C)C2)n1 ZINC001592341149 1167495392 /nfs/dbraw/zinc/49/53/92/1167495392.db2.gz MSNFVBGKWPAGKZ-HXNGOWOSSA-N -1 1 307.383 0.170 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[S@](=O)[C@H](C)[C@H]2C)n1 ZINC001592341643 1167496154 /nfs/dbraw/zinc/49/61/54/1167496154.db2.gz YVIYEWIRZSLWOU-JSJLHDGCSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[S@](=O)[C@H](C)[C@H]2C)n1 ZINC001592341643 1167496156 /nfs/dbraw/zinc/49/61/56/1167496156.db2.gz YVIYEWIRZSLWOU-JSJLHDGCSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2c2nncn2C)n1 ZINC001592341328 1167496235 /nfs/dbraw/zinc/49/62/35/1167496235.db2.gz PTXANEXYDXKWOQ-JTQLQIEISA-N -1 1 312.341 0.435 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2c2nncn2C)n1 ZINC001592341328 1167496237 /nfs/dbraw/zinc/49/62/37/1167496237.db2.gz PTXANEXYDXKWOQ-JTQLQIEISA-N -1 1 312.341 0.435 20 0 DCADMM Cc1nc(Nc2cnn3c2NC[C@H](C)C3)cc(-c2nnn[n-]2)n1 ZINC001592398415 1167511750 /nfs/dbraw/zinc/51/17/50/1167511750.db2.gz AYXUPOHDZKZQOD-ZETCQYMHSA-N -1 1 312.341 0.967 20 0 DCADMM Cc1nc(Nc2cnn3c2NC[C@H](C)C3)cc(-c2nn[n-]n2)n1 ZINC001592398415 1167511758 /nfs/dbraw/zinc/51/17/58/1167511758.db2.gz AYXUPOHDZKZQOD-ZETCQYMHSA-N -1 1 312.341 0.967 20 0 DCADMM Cc1nc2ccnn2cc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592405263 1167515259 /nfs/dbraw/zinc/51/52/59/1167515259.db2.gz NXWUUBPTOSEHAR-UHFFFAOYSA-N -1 1 310.281 0.193 20 0 DCADMM Cc1ncccc1C=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001592424537 1167517722 /nfs/dbraw/zinc/51/77/22/1167517722.db2.gz CASPQXGYXZPXIK-WAYWQWQTSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1ncccc1C=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001592424537 1167517726 /nfs/dbraw/zinc/51/77/26/1167517726.db2.gz CASPQXGYXZPXIK-WAYWQWQTSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1nnc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC001592440602 1167522559 /nfs/dbraw/zinc/52/25/59/1167522559.db2.gz JBUNBSSNYLZXBI-UHFFFAOYSA-N -1 1 300.282 0.159 20 0 DCADMM Cc1nnc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC001592440602 1167522564 /nfs/dbraw/zinc/52/25/64/1167522564.db2.gz JBUNBSSNYLZXBI-UHFFFAOYSA-N -1 1 300.282 0.159 20 0 DCADMM Cc1nn(C)cc1S(=O)(=O)Oc1cccnc1-c1nn[n-]n1 ZINC001592435805 1167523497 /nfs/dbraw/zinc/52/34/97/1167523497.db2.gz FLTYOEKNMGYAQB-UHFFFAOYSA-N -1 1 321.322 0.071 20 0 DCADMM Cc1nnc(CCC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)o1 ZINC001592440926 1167525126 /nfs/dbraw/zinc/52/51/26/1167525126.db2.gz GUSGPBIDPGJJEV-UHFFFAOYSA-N -1 1 303.286 0.161 20 0 DCADMM Cc1noc(C)c1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592459067 1167530263 /nfs/dbraw/zinc/53/02/63/1167530263.db2.gz IHVAXFLUCFJCFK-UHFFFAOYSA-N -1 1 324.322 0.543 20 0 DCADMM Cc1nsc(N2CCC(CC(N)=O)CC2)c1-c1nn[n-]n1 ZINC001592472370 1167531746 /nfs/dbraw/zinc/53/17/46/1167531746.db2.gz DYYUBDXJOLKJNG-UHFFFAOYSA-N -1 1 307.383 0.723 20 0 DCADMM Cc1nsc(N2CCO[C@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC001592476533 1167535334 /nfs/dbraw/zinc/53/53/34/1167535334.db2.gz RPITXXPULJTVME-GFCCVEGCSA-N -1 1 308.367 0.627 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1COC[C@H]1C1CC1 ZINC001592501270 1167541256 /nfs/dbraw/zinc/54/12/56/1167541256.db2.gz FJBOQQBTENTPED-QWRGUYRKSA-N -1 1 303.322 0.923 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1COC[C@H]1C1CC1 ZINC001592501270 1167541261 /nfs/dbraw/zinc/54/12/61/1167541261.db2.gz FJBOQQBTENTPED-QWRGUYRKSA-N -1 1 303.322 0.923 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCOC[C@@H]1CCOC1 ZINC001592502109 1167541320 /nfs/dbraw/zinc/54/13/20/1167541320.db2.gz XBKTVLMWLQTPAL-SNVBAGLBSA-N -1 1 321.337 0.551 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCOC[C@@H]1CCOC1 ZINC001592502109 1167541327 /nfs/dbraw/zinc/54/13/27/1167541327.db2.gz XBKTVLMWLQTPAL-SNVBAGLBSA-N -1 1 321.337 0.551 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)[C@@H]1CCOC1 ZINC001592502673 1167542446 /nfs/dbraw/zinc/54/24/46/1167542446.db2.gz VGDIUFREUIYRNS-MRVPVSSYSA-N -1 1 306.278 0.531 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)[C@@H]1CCOC1 ZINC001592502673 1167542450 /nfs/dbraw/zinc/54/24/50/1167542450.db2.gz VGDIUFREUIYRNS-MRVPVSSYSA-N -1 1 306.278 0.531 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)c2cnccn2)c1-c1nnn[n-]1 ZINC001592516250 1167547481 /nfs/dbraw/zinc/54/74/81/1167547481.db2.gz BYDPKYGKCCNQTB-ZETCQYMHSA-N -1 1 314.309 0.373 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)c2cnccn2)c1-c1nn[n-]n1 ZINC001592516250 1167547487 /nfs/dbraw/zinc/54/74/87/1167547487.db2.gz BYDPKYGKCCNQTB-ZETCQYMHSA-N -1 1 314.309 0.373 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCOC[C@@H]2C)c1-c1nnn[n-]1 ZINC001592516805 1167548424 /nfs/dbraw/zinc/54/84/24/1167548424.db2.gz ACCZTTYHCZSYLA-WPRPVWTQSA-N -1 1 320.353 0.494 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCOC[C@@H]2C)c1-c1nn[n-]n1 ZINC001592516805 1167548429 /nfs/dbraw/zinc/54/84/29/1167548429.db2.gz ACCZTTYHCZSYLA-WPRPVWTQSA-N -1 1 320.353 0.494 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2CCC[C@@H](F)C2)c(-c2nn[n-]n2)c1=O ZINC001592545634 1167549070 /nfs/dbraw/zinc/54/90/70/1167549070.db2.gz HLSNXTJIMMTOPV-RNFRBKRXSA-N -1 1 309.305 0.359 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@@]2(C)CCCS2)c(-c2nn[n-]n2)c1=O ZINC001592545657 1167549352 /nfs/dbraw/zinc/54/93/52/1167549352.db2.gz IOBLNSNLKOYDJU-GFCCVEGCSA-N -1 1 323.382 0.364 20 0 DCADMM Cn1c2ccc(Nc3ncncc3-c3nn[n-]n3)cc2oc1=O ZINC001592546067 1167550320 /nfs/dbraw/zinc/55/03/20/1167550320.db2.gz HSBKPKVZDVWYMC-UHFFFAOYSA-N -1 1 310.277 0.845 20 0 DCADMM Cn1c(=O)cccc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001592551295 1167554902 /nfs/dbraw/zinc/55/49/02/1167554902.db2.gz YKYIHFCTNTWTAN-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM Cn1c(=O)cccc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001592551295 1167554910 /nfs/dbraw/zinc/55/49/10/1167554910.db2.gz YKYIHFCTNTWTAN-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC3(CC3(F)F)C2)n1 ZINC001592559344 1167560442 /nfs/dbraw/zinc/56/04/42/1167560442.db2.gz KIOTUEIRNITBIK-UHFFFAOYSA-N -1 1 310.268 0.473 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC3(CC3(F)F)C2)n1 ZINC001592559344 1167560448 /nfs/dbraw/zinc/56/04/48/1167560448.db2.gz KIOTUEIRNITBIK-UHFFFAOYSA-N -1 1 310.268 0.473 20 0 DCADMM Cn1cc([C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001592570275 1167565082 /nfs/dbraw/zinc/56/50/82/1167565082.db2.gz OPMISUOJTLLEEZ-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cc([C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001592570275 1167565088 /nfs/dbraw/zinc/56/50/88/1167565088.db2.gz OPMISUOJTLLEEZ-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cc([C@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)nn1 ZINC001592570425 1167565189 /nfs/dbraw/zinc/56/51/89/1167565189.db2.gz TUNOZYAEFZDZIP-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cc([C@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)nn1 ZINC001592570425 1167565193 /nfs/dbraw/zinc/56/51/93/1167565193.db2.gz TUNOZYAEFZDZIP-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1ncc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1Cl ZINC001592602151 1167580882 /nfs/dbraw/zinc/58/08/82/1167580882.db2.gz JTYGGAVYVLPMMZ-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1ncc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1Cl ZINC001592602151 1167580887 /nfs/dbraw/zinc/58/08/87/1167580887.db2.gz JTYGGAVYVLPMMZ-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1nccc1CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592607872 1167581710 /nfs/dbraw/zinc/58/17/10/1167581710.db2.gz SLMBSXSLTGQKLQ-UHFFFAOYSA-N -1 1 319.354 0.056 20 0 DCADMM Cn1nccc1CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592607872 1167581716 /nfs/dbraw/zinc/58/17/16/1167581716.db2.gz SLMBSXSLTGQKLQ-UHFFFAOYSA-N -1 1 319.354 0.056 20 0 DCADMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592721808 1167614522 /nfs/dbraw/zinc/61/45/22/1167614522.db2.gz VBOPBDWXNVZJOF-DTWKUNHWSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592721808 1167614539 /nfs/dbraw/zinc/61/45/39/1167614539.db2.gz VBOPBDWXNVZJOF-DTWKUNHWSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)C[C@@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001592726032 1167616329 /nfs/dbraw/zinc/61/63/29/1167616329.db2.gz OIFDMOVXTGNAGI-ZETCQYMHSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)C[C@@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001592726032 1167616334 /nfs/dbraw/zinc/61/63/34/1167616334.db2.gz OIFDMOVXTGNAGI-ZETCQYMHSA-N -1 1 306.351 0.266 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc2c1CCOC2 ZINC001592753209 1167631080 /nfs/dbraw/zinc/63/10/80/1167631080.db2.gz SLYCHOJTVATXFH-UHFFFAOYSA-N -1 1 311.305 0.407 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ncoc1-c1ccccc1 ZINC001592753180 1167631132 /nfs/dbraw/zinc/63/11/32/1167631132.db2.gz QQONXKPGMUNUAI-UHFFFAOYSA-N -1 1 322.288 0.989 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1ccc2c(c1)COC2 ZINC001592753243 1167631336 /nfs/dbraw/zinc/63/13/36/1167631336.db2.gz MDBWCFGZKQGPIH-UHFFFAOYSA-N -1 1 311.305 0.559 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC001592753066 1167631388 /nfs/dbraw/zinc/63/13/88/1167631388.db2.gz IRLOWSMGDCVSDF-UHFFFAOYSA-N -1 1 321.304 0.724 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCSc1ccccn1 ZINC001592753667 1167631544 /nfs/dbraw/zinc/63/15/44/1167631544.db2.gz ZGPVLVBTCFCLBB-UHFFFAOYSA-N -1 1 316.350 0.863 20 0 DCADMM Nc1nc(C2CC2)ncc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592760839 1167635643 /nfs/dbraw/zinc/63/56/43/1167635643.db2.gz NQEBJZQGHBFAPA-UHFFFAOYSA-N -1 1 312.297 0.092 20 0 DCADMM Nc1nc(C2CC2)ncc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592760839 1167635646 /nfs/dbraw/zinc/63/56/46/1167635646.db2.gz NQEBJZQGHBFAPA-UHFFFAOYSA-N -1 1 312.297 0.092 20 0 DCADMM O=C(/C=C\[C@@H]1CCOC1)OCc1cccnc1-c1nnn[n-]1 ZINC001592794195 1167642968 /nfs/dbraw/zinc/64/29/68/1167642968.db2.gz JQWJLONCXBRURO-UMBAGQNISA-N -1 1 301.306 0.898 20 0 DCADMM O=C(/C=C\[C@@H]1CCOC1)OCc1cccnc1-c1nn[n-]n1 ZINC001592794195 1167642972 /nfs/dbraw/zinc/64/29/72/1167642972.db2.gz JQWJLONCXBRURO-UMBAGQNISA-N -1 1 301.306 0.898 20 0 DCADMM O=C(C[C@@H]1CCNC1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592825750 1167647001 /nfs/dbraw/zinc/64/70/01/1167647001.db2.gz UPEXYYIDWGIMBF-QMMMGPOBSA-N -1 1 302.294 0.037 20 0 DCADMM O=C(C[C@H]1CCCOC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592824088 1167647164 /nfs/dbraw/zinc/64/71/64/1167647164.db2.gz ZQCSLEXIWXZFON-LLVKDONJSA-N -1 1 302.338 0.695 20 0 DCADMM O=C(C[C@H]1CCCOC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592824088 1167647166 /nfs/dbraw/zinc/64/71/66/1167647166.db2.gz ZQCSLEXIWXZFON-LLVKDONJSA-N -1 1 302.338 0.695 20 0 DCADMM O=C(C[C@H]1CCCO1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592823288 1167647303 /nfs/dbraw/zinc/64/73/03/1167647303.db2.gz HDQXUXKKTCDVHW-MRVPVSSYSA-N -1 1 303.326 0.975 20 0 DCADMM O=C(CCN1CCCC1=O)OCc1cccnc1-c1nnn[n-]1 ZINC001592842303 1167650262 /nfs/dbraw/zinc/65/02/62/1167650262.db2.gz FIZLRWUTVBXINS-UHFFFAOYSA-N -1 1 316.321 0.317 20 0 DCADMM O=C(CCN1CCCC1=O)OCc1cccnc1-c1nn[n-]n1 ZINC001592842303 1167650266 /nfs/dbraw/zinc/65/02/66/1167650266.db2.gz FIZLRWUTVBXINS-UHFFFAOYSA-N -1 1 316.321 0.317 20 0 DCADMM O=C(COc1cccnc1-c1nnn[n-]1)OCC(F)(F)F ZINC001592899180 1167662282 /nfs/dbraw/zinc/66/22/82/1167662282.db2.gz YKMDZYQPLNOIFB-UHFFFAOYSA-N -1 1 303.200 0.746 20 0 DCADMM O=C(COc1cccnc1-c1nn[n-]n1)OCC(F)(F)F ZINC001592899180 1167662284 /nfs/dbraw/zinc/66/22/84/1167662284.db2.gz YKMDZYQPLNOIFB-UHFFFAOYSA-N -1 1 303.200 0.746 20 0 DCADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)OCc1ccccc1 ZINC001592937295 1167667375 /nfs/dbraw/zinc/66/73/75/1167667375.db2.gz PQXDONHFPZEAOB-UHFFFAOYSA-N -1 1 311.301 0.772 20 0 DCADMM O=C(N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1coc(-c2nnn[n-]2)c1 ZINC001592966204 1167676785 /nfs/dbraw/zinc/67/67/85/1167676785.db2.gz TVMUIMYUFUOFEX-PSYIXQSTSA-N -1 1 301.306 0.613 20 0 DCADMM O=C(N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1coc(-c2nn[n-]n2)c1 ZINC001592966204 1167676796 /nfs/dbraw/zinc/67/67/96/1167676796.db2.gz TVMUIMYUFUOFEX-PSYIXQSTSA-N -1 1 301.306 0.613 20 0 DCADMM O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001592965003 1167677390 /nfs/dbraw/zinc/67/73/90/1167677390.db2.gz CNWBXJBKMQVQNY-SECBINFHSA-N -1 1 316.321 0.200 20 0 DCADMM O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001592965003 1167677394 /nfs/dbraw/zinc/67/73/94/1167677394.db2.gz CNWBXJBKMQVQNY-SECBINFHSA-N -1 1 316.321 0.200 20 0 DCADMM O=C(N[C@@H]1CCn2cncc21)c1csc(-c2nn[n-]n2)c1 ZINC001592995367 1167680612 /nfs/dbraw/zinc/68/06/12/1167680612.db2.gz AXMQMBOGRPNOHP-MRVPVSSYSA-N -1 1 301.335 1.000 20 0 DCADMM O=C(NC1CCN(c2ncncc2-c2nn[n-]n2)CC1)C1CC1 ZINC001592994657 1167680841 /nfs/dbraw/zinc/68/08/41/1167680841.db2.gz FNOQTNDJYYESSB-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592995197 1167681007 /nfs/dbraw/zinc/68/10/07/1167681007.db2.gz DNDMDOOOIYMNTG-QMTHXVAHSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592995197 1167681010 /nfs/dbraw/zinc/68/10/10/1167681010.db2.gz DNDMDOOOIYMNTG-QMTHXVAHSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@@H]1CCn2ccnc2C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592997140 1167682195 /nfs/dbraw/zinc/68/21/95/1167682195.db2.gz SVXVUUKPFMZGDY-SNVBAGLBSA-N -1 1 310.321 0.203 20 0 DCADMM O=C(N[C@@H]1CCn2ccnc2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592997140 1167682216 /nfs/dbraw/zinc/68/22/16/1167682216.db2.gz SVXVUUKPFMZGDY-SNVBAGLBSA-N -1 1 310.321 0.203 20 0 DCADMM O=C(NCC1=CCOCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593023571 1167689996 /nfs/dbraw/zinc/68/99/96/1167689996.db2.gz SWLRYLBFISXAIC-UHFFFAOYSA-N -1 1 301.310 0.730 20 0 DCADMM O=C(NCC1=CCOCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593023571 1167690001 /nfs/dbraw/zinc/69/00/01/1167690001.db2.gz SWLRYLBFISXAIC-UHFFFAOYSA-N -1 1 301.310 0.730 20 0 DCADMM O=C(NCC[C@@H](O)C1CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593056795 1167694943 /nfs/dbraw/zinc/69/49/43/1167694943.db2.gz NGOBOUFTMQFKBU-CYBMUJFWSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NCC[C@@H](O)C1CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593056795 1167694950 /nfs/dbraw/zinc/69/49/50/1167694950.db2.gz NGOBOUFTMQFKBU-CYBMUJFWSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NCC=CCNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001593056308 1167695902 /nfs/dbraw/zinc/69/59/02/1167695902.db2.gz MOOJFABLOWLXCU-UPHRSURJSA-N -1 1 300.326 0.151 20 0 DCADMM O=C(NCC=CCNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001593056308 1167695907 /nfs/dbraw/zinc/69/59/07/1167695907.db2.gz MOOJFABLOWLXCU-UPHRSURJSA-N -1 1 300.326 0.151 20 0 DCADMM O=C(NCCCN1CCOC1=O)c1coc(-c2nnn[n-]2)c1 ZINC001593070603 1167696838 /nfs/dbraw/zinc/69/68/38/1167696838.db2.gz JHEOJTSRNXMPIH-UHFFFAOYSA-N -1 1 306.282 0.032 20 0 DCADMM O=C(NCCCN1CCOC1=O)c1coc(-c2nn[n-]n2)c1 ZINC001593070603 1167696846 /nfs/dbraw/zinc/69/68/46/1167696846.db2.gz JHEOJTSRNXMPIH-UHFFFAOYSA-N -1 1 306.282 0.032 20 0 DCADMM O=C(NCCCNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001593075281 1167697312 /nfs/dbraw/zinc/69/73/12/1167697312.db2.gz CYBZQAJJRAKTJP-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCCNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001593075281 1167697314 /nfs/dbraw/zinc/69/73/14/1167697314.db2.gz CYBZQAJJRAKTJP-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(-c2nn[n-]n2)o1 ZINC001593084257 1167701388 /nfs/dbraw/zinc/70/13/88/1167701388.db2.gz JKVRRTBQSWJXAF-AOOOYVTPSA-N -1 1 318.337 0.053 20 0 DCADMM O=C(NCCOC1CCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593096698 1167706238 /nfs/dbraw/zinc/70/62/38/1167706238.db2.gz SBNWXKITKBAEGB-UHFFFAOYSA-N -1 1 303.326 0.952 20 0 DCADMM O=C(NCCOC1CCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593096698 1167706244 /nfs/dbraw/zinc/70/62/44/1167706244.db2.gz SBNWXKITKBAEGB-UHFFFAOYSA-N -1 1 303.326 0.952 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)C1CCC2(CC2)CC1 ZINC001593109750 1167711374 /nfs/dbraw/zinc/71/13/74/1167711374.db2.gz OAENBXFPBSYDPP-UHFFFAOYSA-N -1 1 316.369 0.545 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CC[C@H](CO)C1 ZINC001593137853 1167721409 /nfs/dbraw/zinc/72/14/09/1167721409.db2.gz XJIRHLLGRMHFTE-QMMMGPOBSA-N -1 1 308.367 0.452 20 0 DCADMM O=C(NCc1cccc(=O)[nH]1)c1ccsc1-c1nnn[n-]1 ZINC001593145189 1167723342 /nfs/dbraw/zinc/72/33/42/1167723342.db2.gz ZWXBVTIFMHCRLS-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(NCc1cccc(=O)[nH]1)c1ccsc1-c1nn[n-]n1 ZINC001593145189 1167723349 /nfs/dbraw/zinc/72/33/49/1167723349.db2.gz ZWXBVTIFMHCRLS-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(NCc1nccn1C(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001593154095 1167728886 /nfs/dbraw/zinc/72/88/86/1167728886.db2.gz VWTWMHZOTHJTKD-UHFFFAOYSA-N -1 1 309.236 0.981 20 0 DCADMM O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(F)c1-c1nnn[n-]1 ZINC001593179923 1167732245 /nfs/dbraw/zinc/73/22/45/1167732245.db2.gz DDUFMNPLCTYQMA-FUTFKJLYSA-N -1 1 315.308 0.911 20 0 DCADMM O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(F)c1-c1nn[n-]n1 ZINC001593179923 1167732251 /nfs/dbraw/zinc/73/22/51/1167732251.db2.gz DDUFMNPLCTYQMA-FUTFKJLYSA-N -1 1 315.308 0.911 20 0 DCADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001593187349 1167733671 /nfs/dbraw/zinc/73/36/71/1167733671.db2.gz ITSXLGQLMODKJA-DTORHVGOSA-N -1 1 300.326 0.126 20 0 DCADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001593187349 1167733678 /nfs/dbraw/zinc/73/36/78/1167733678.db2.gz ITSXLGQLMODKJA-DTORHVGOSA-N -1 1 300.326 0.126 20 0 DCADMM O=C(Nc1ccn2nccc2n1)c1cccc(-c2nnn[n-]2)n1 ZINC001593254039 1167743143 /nfs/dbraw/zinc/74/31/43/1167743143.db2.gz NWEOQPHBHMMVQA-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1ccn2nccc2n1)c1cccc(-c2nn[n-]n2)n1 ZINC001593254039 1167743148 /nfs/dbraw/zinc/74/31/48/1167743148.db2.gz NWEOQPHBHMMVQA-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H](CCO)C1 ZINC001593243499 1167743596 /nfs/dbraw/zinc/74/35/96/1167743596.db2.gz DJTTXQHIEYDESP-JTQLQIEISA-N -1 1 317.353 0.888 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H](CCO)C1 ZINC001593243499 1167743598 /nfs/dbraw/zinc/74/35/98/1167743598.db2.gz DJTTXQHIEYDESP-JTQLQIEISA-N -1 1 317.353 0.888 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1C[C@@H](O)C2(CC2)C1 ZINC001593244162 1167743743 /nfs/dbraw/zinc/74/37/43/1167743743.db2.gz TZYOWPLDUJUOBG-SECBINFHSA-N -1 1 301.310 0.250 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1C[C@@H](O)C2(CC2)C1 ZINC001593244162 1167743749 /nfs/dbraw/zinc/74/37/49/1167743749.db2.gz TZYOWPLDUJUOBG-SECBINFHSA-N -1 1 301.310 0.250 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCO[C@@H](C2CC2)C1 ZINC001593243334 1167743812 /nfs/dbraw/zinc/74/38/12/1167743812.db2.gz CZLWDABNPYQHFW-LLVKDONJSA-N -1 1 315.337 0.904 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCO[C@@H](C2CC2)C1 ZINC001593243334 1167743818 /nfs/dbraw/zinc/74/38/18/1167743818.db2.gz CZLWDABNPYQHFW-LLVKDONJSA-N -1 1 315.337 0.904 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1CCCOCC1 ZINC001593256156 1167747600 /nfs/dbraw/zinc/74/76/00/1167747600.db2.gz ORRJCDRUBCVTGO-VIFPVBQESA-N -1 1 303.326 0.952 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1CCCOCC1 ZINC001593256156 1167747605 /nfs/dbraw/zinc/74/76/05/1167747605.db2.gz ORRJCDRUBCVTGO-VIFPVBQESA-N -1 1 303.326 0.952 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1(C(=O)NC2CC2)CC1 ZINC001593267467 1167749385 /nfs/dbraw/zinc/74/93/85/1167749385.db2.gz GWEZVIMPMPSXRI-UHFFFAOYSA-N -1 1 319.350 0.321 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1(C(=O)NC2CC2)CC1 ZINC001593267467 1167749389 /nfs/dbraw/zinc/74/93/89/1167749389.db2.gz GWEZVIMPMPSXRI-UHFFFAOYSA-N -1 1 319.350 0.321 20 0 DCADMM O=C([O-])[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)[C@@H]1CCCO1 ZINC001593275448 1167751623 /nfs/dbraw/zinc/75/16/23/1167751623.db2.gz DRKYQXDXGYKIAX-RYUDHWBXSA-N -1 1 321.312 0.728 20 0 DCADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CC(O)(C2CC2)C1 ZINC001593313586 1167766422 /nfs/dbraw/zinc/76/64/22/1167766422.db2.gz ACAYPQHWZIIESO-UHFFFAOYSA-N -1 1 324.344 0.945 20 0 DCADMM O=C(OCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2)C1CC1 ZINC001593306186 1167766998 /nfs/dbraw/zinc/76/69/98/1167766998.db2.gz OKRUXXOIBFNORT-UHFFFAOYSA-N -1 1 301.306 0.428 20 0 DCADMM O=C(Oc1ccc2c(c1)C(=O)NC2)c1coc(-c2nnn[n-]2)c1 ZINC001593308665 1167767275 /nfs/dbraw/zinc/76/72/75/1167767275.db2.gz JNKRPDOYNCOOCL-UHFFFAOYSA-N -1 1 311.257 0.922 20 0 DCADMM O=C(Oc1ccc2c(c1)C(=O)NC2)c1coc(-c2nn[n-]n2)c1 ZINC001593308665 1167767284 /nfs/dbraw/zinc/76/72/84/1167767284.db2.gz JNKRPDOYNCOOCL-UHFFFAOYSA-N -1 1 311.257 0.922 20 0 DCADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1C[C@]12CCOC2 ZINC001593301793 1167767619 /nfs/dbraw/zinc/76/76/19/1167767619.db2.gz PMNNOJPJVVWDJW-YGRLFVJLSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1C[C@]12CCOC2 ZINC001593301793 1167767626 /nfs/dbraw/zinc/76/76/26/1167767626.db2.gz PMNNOJPJVVWDJW-YGRLFVJLSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCc2n[nH]cc2C1 ZINC001593348684 1167783855 /nfs/dbraw/zinc/78/38/55/1167783855.db2.gz LFAHEMWFFIRDIV-UHFFFAOYSA-N -1 1 310.321 0.573 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC2(C1)CCOC2 ZINC001593351077 1167784558 /nfs/dbraw/zinc/78/45/58/1167784558.db2.gz XKRHWLZPTCLZIZ-UHFFFAOYSA-N -1 1 303.297 0.868 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC2(C1)CCOC2 ZINC001593351077 1167784564 /nfs/dbraw/zinc/78/45/64/1167784564.db2.gz XKRHWLZPTCLZIZ-UHFFFAOYSA-N -1 1 303.297 0.868 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCSC[C@H]1CCO ZINC001593370015 1167790156 /nfs/dbraw/zinc/79/01/56/1167790156.db2.gz YEQDGIAPAXWCSU-SECBINFHSA-N -1 1 309.351 0.400 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCSC[C@H]1CCO ZINC001593370015 1167790170 /nfs/dbraw/zinc/79/01/70/1167790170.db2.gz YEQDGIAPAXWCSU-SECBINFHSA-N -1 1 309.351 0.400 20 0 DCADMM O=S(=O)(NC[C@@H]1C=CCC1)c1cccnc1-c1nn[n-]n1 ZINC001593439423 1167841926 /nfs/dbraw/zinc/84/19/26/1167841926.db2.gz RYORBSJWNHZMAU-SECBINFHSA-N -1 1 306.351 0.506 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CC[C@@H](CF)C1 ZINC001593456908 1167850349 /nfs/dbraw/zinc/85/03/49/1167850349.db2.gz FUCUJFWLKJMRCE-QMMMGPOBSA-N -1 1 312.330 0.242 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CC[C@@H]1CC1(Cl)Cl ZINC001593489708 1167873823 /nfs/dbraw/zinc/87/38/23/1167873823.db2.gz WWOBGADHCHEKCZ-RXMQYKEDSA-N -1 1 317.136 0.713 20 0 DCADMM O=C1N=NC(C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)O1 ZINC001593490037 1167874833 /nfs/dbraw/zinc/87/48/33/1167874833.db2.gz UXQIYUVBQYAKBE-UHFFFAOYSA-N -1 1 315.297 0.129 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CN1CC[C@@]2(CC2(F)F)C1 ZINC001593492538 1167875579 /nfs/dbraw/zinc/87/55/79/1167875579.db2.gz JUQMKYQVNQOPSP-GFCCVEGCSA-N -1 1 308.292 0.717 20 0 DCADMM O[C@]1(CCNc2nc(-c3nn[n-]n3)c(Cl)s2)CCOC1 ZINC001593511838 1167890725 /nfs/dbraw/zinc/89/07/25/1167890725.db2.gz XHXBWOBOMZZFJU-SNVBAGLBSA-N -1 1 316.774 0.930 20 0 DCADMM OC[C@]1(c2ccccc2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001593524055 1167901439 /nfs/dbraw/zinc/90/14/39/1167901439.db2.gz SGORESAHNCJUND-INIZCTEOSA-N -1 1 323.360 0.797 20 0 DCADMM O[C@H]1COCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001593523394 1167901804 /nfs/dbraw/zinc/90/18/04/1167901804.db2.gz WFDPQJNSIWBQQB-RXMQYKEDSA-N -1 1 302.747 0.174 20 0 DCADMM c1cc(N2CCO[C@H]([C@@H]3CCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001593558493 1167935402 /nfs/dbraw/zinc/93/54/02/1167935402.db2.gz HAOFPBFNDZFLGH-STQMWFEESA-N -1 1 302.338 0.646 20 0 DCADMM c1cc(N2CCO[C@H]([C@@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001593558493 1167935407 /nfs/dbraw/zinc/93/54/07/1167935407.db2.gz HAOFPBFNDZFLGH-STQMWFEESA-N -1 1 302.338 0.646 20 0 DCADMM c1cc(N2CCC[C@@H](C3OCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001593560149 1167942328 /nfs/dbraw/zinc/94/23/28/1167942328.db2.gz YKMQHUQTVOYQSL-SNVBAGLBSA-N -1 1 302.338 0.851 20 0 DCADMM c1cc(N2CCC[C@@H](C3OCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001593560149 1167942341 /nfs/dbraw/zinc/94/23/41/1167942341.db2.gz YKMQHUQTVOYQSL-SNVBAGLBSA-N -1 1 302.338 0.851 20 0 DCADMM c1cn(-c2cccc(Nc3cnc(-c4nnn[n-]4)cn3)c2)nn1 ZINC001593561448 1167943627 /nfs/dbraw/zinc/94/36/27/1167943627.db2.gz LVWYHPJBUXFIQP-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1cn(-c2cccc(Nc3cnc(-c4nn[n-]n4)cn3)c2)nn1 ZINC001593561448 1167943632 /nfs/dbraw/zinc/94/36/32/1167943632.db2.gz LVWYHPJBUXFIQP-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1cn([C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)nn1 ZINC001593581987 1167950154 /nfs/dbraw/zinc/95/01/54/1167950154.db2.gz AJUGBQIKJZZXES-JTQLQIEISA-N -1 1 312.341 0.480 20 0 DCADMM c1cn([C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001593581987 1167950160 /nfs/dbraw/zinc/95/01/60/1167950160.db2.gz AJUGBQIKJZZXES-JTQLQIEISA-N -1 1 312.341 0.480 20 0 DCADMM c1cnc([C@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001593583454 1167950677 /nfs/dbraw/zinc/95/06/77/1167950677.db2.gz DREUUDLJUBMBRA-JTQLQIEISA-N -1 1 309.337 0.831 20 0 DCADMM c1cnc([C@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001593583454 1167950682 /nfs/dbraw/zinc/95/06/82/1167950682.db2.gz DREUUDLJUBMBRA-JTQLQIEISA-N -1 1 309.337 0.831 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CCOCC3(CCOCC3)C2)n1 ZINC001593591305 1167954632 /nfs/dbraw/zinc/95/46/32/1167954632.db2.gz LDKHJAQIBYRIQE-UHFFFAOYSA-N -1 1 317.353 0.290 20 0 DCADMM c1nc(-c2nn[n-]n2)ncc1OC[C@H]1CCC2(CCOCC2)O1 ZINC001593590171 1167955023 /nfs/dbraw/zinc/95/50/23/1167955023.db2.gz IYOWSQPGJNPBSH-SNVBAGLBSA-N -1 1 318.337 0.764 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(NCCc2nnc3n2CCCC3)n1 ZINC001593595510 1167958642 /nfs/dbraw/zinc/95/86/42/1167958642.db2.gz RZQWKSDGMPCTBM-UHFFFAOYSA-N -1 1 312.341 0.239 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c1 ZINC001598397210 1168021474 /nfs/dbraw/zinc/02/14/74/1168021474.db2.gz SYXFXTLDCKVDIT-LLVKDONJSA-N -1 1 320.345 0.178 20 0 DCADMM CS(=O)(=O)[C@H]1C[C@]1(CNCc1cccc(F)c1F)C(=O)[O-] ZINC001599763608 1168071549 /nfs/dbraw/zinc/07/15/49/1168071549.db2.gz LHZSJOMQDLVLBQ-GXFFZTMASA-N -1 1 319.329 0.942 20 0 DCADMM Cc1cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c(N)cc1F ZINC001600097394 1168119173 /nfs/dbraw/zinc/11/91/73/1168119173.db2.gz HGNILCUGPBBZHE-GFCCVEGCSA-N -1 1 306.297 0.865 20 0 DCADMM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N(C)Cc1nnc[nH]1 ZINC001600119325 1168123655 /nfs/dbraw/zinc/12/36/55/1168123655.db2.gz MLKAIHDLFRJTHI-UHFFFAOYSA-N -1 1 317.305 0.408 20 0 DCADMM Cc1cc(C(=O)[O-])nc(NCCCN2CCC[C@H]2C(N)=O)n1 ZINC001600127729 1168124819 /nfs/dbraw/zinc/12/48/19/1168124819.db2.gz CMSJHOBKEGNHJB-NSHDSACASA-N -1 1 307.354 0.235 20 0 DCADMM Cc1cc(C(=O)[O-])nc(N2CCN([C@H]3CCC[C@H]3O)CC2)n1 ZINC001600126243 1168125223 /nfs/dbraw/zinc/12/52/23/1168125223.db2.gz NVSBVQDYBWKTQB-QWHCGFSZSA-N -1 1 306.366 0.519 20 0 DCADMM Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n[nH]1 ZINC001600189283 1168133638 /nfs/dbraw/zinc/13/36/38/1168133638.db2.gz MAJUZWHQENWVSQ-SKDRFNHKSA-N -1 1 322.365 0.231 20 0 DCADMM Cc1cc(CNS(=O)(=O)c2cccc(CC(=O)[O-])c2)n[nH]1 ZINC001600209944 1168138305 /nfs/dbraw/zinc/13/83/05/1168138305.db2.gz AHEUYAFZFIGTTH-UHFFFAOYSA-N -1 1 309.347 0.824 20 0 DCADMM Cc1cc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)ncn1 ZINC001600205165 1168139136 /nfs/dbraw/zinc/13/91/36/1168139136.db2.gz FMESROQHXNNBLB-STQMWFEESA-N -1 1 318.377 0.634 20 0 DCADMM Cc1cc(NC(=O)NC[C@H]2CN(C)CCN2C)ncc1C(=O)[O-] ZINC001600267688 1168154684 /nfs/dbraw/zinc/15/46/84/1168154684.db2.gz ABCVNOREYLTIBW-NSHDSACASA-N -1 1 321.381 0.456 20 0 DCADMM Cc1cccc(S(=O)(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c1 ZINC001600548151 1168198419 /nfs/dbraw/zinc/19/84/19/1168198419.db2.gz QLDXHFMVEWFGEL-LBPRGKRZSA-N -1 1 312.391 0.632 20 0 DCADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600668227 1168236484 /nfs/dbraw/zinc/23/64/84/1168236484.db2.gz AJLSTZFBOCUAEC-WRWORJQWSA-N -1 1 305.338 0.665 20 0 DCADMM Cc1nnc(SCC(=O)Nc2cccc(CC(=O)[O-])n2)[nH]1 ZINC001600674148 1168242886 /nfs/dbraw/zinc/24/28/86/1168242886.db2.gz CBRMEXHXUKRJPY-UHFFFAOYSA-N -1 1 307.335 0.866 20 0 DCADMM Cc1n[nH]c([C@H]2CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C2)n1 ZINC001600696049 1168255336 /nfs/dbraw/zinc/25/53/36/1168255336.db2.gz ZNRJWYJSDCWLOP-AAEUAGOBSA-N -1 1 323.397 0.518 20 0 DCADMM Cc1nnc([C@H]2CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C2)[nH]1 ZINC001600696049 1168255341 /nfs/dbraw/zinc/25/53/41/1168255341.db2.gz ZNRJWYJSDCWLOP-AAEUAGOBSA-N -1 1 323.397 0.518 20 0 DCADMM Cc1ncc(CNC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)s1 ZINC001600737311 1168270576 /nfs/dbraw/zinc/27/05/76/1168270576.db2.gz QNIMVUKXABZPMH-MNOVXSKESA-N -1 1 309.391 0.911 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MGUZYGHQRLLLAC-VIFPVBQESA-N -1 1 322.373 0.026 20 0 DCADMM COC[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001605057607 1169800356 /nfs/dbraw/zinc/80/03/56/1169800356.db2.gz ILGUQYSBUHSFEH-RYUDHWBXSA-N -1 1 318.337 0.186 20 0 DCADMM COC[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001605057607 1169800365 /nfs/dbraw/zinc/80/03/65/1169800365.db2.gz ILGUQYSBUHSFEH-RYUDHWBXSA-N -1 1 318.337 0.186 20 0 DCADMM COC[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC001605060083 1169801663 /nfs/dbraw/zinc/80/16/63/1169801663.db2.gz SJTPVQVJFZCMEO-ONGXEEELSA-N -1 1 305.342 0.510 20 0 DCADMM COC[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCOC1 ZINC001605060083 1169801670 /nfs/dbraw/zinc/80/16/70/1169801670.db2.gz SJTPVQVJFZCMEO-ONGXEEELSA-N -1 1 305.342 0.510 20 0 DCADMM COC[C@@]1(C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001605067001 1169803999 /nfs/dbraw/zinc/80/39/99/1169803999.db2.gz VEOOUBOHFLKVTO-CQSZACIVSA-N -1 1 318.337 0.139 20 0 DCADMM COC[C@@]1(C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001605067001 1169804008 /nfs/dbraw/zinc/80/40/08/1169804008.db2.gz VEOOUBOHFLKVTO-CQSZACIVSA-N -1 1 318.337 0.139 20 0 DCADMM COC[C@H]1C[C@@H](O)CN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001605128895 1169837401 /nfs/dbraw/zinc/83/74/01/1169837401.db2.gz CVLNLXCLZNBGTQ-NXEZZACHSA-N -1 1 317.353 0.120 20 0 DCADMM COC[C@H]1C[C@@H](O)CN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001605128895 1169837410 /nfs/dbraw/zinc/83/74/10/1169837410.db2.gz CVLNLXCLZNBGTQ-NXEZZACHSA-N -1 1 317.353 0.120 20 0 DCADMM CON(C)C(=O)[C@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001605140534 1169840904 /nfs/dbraw/zinc/84/09/04/1169840904.db2.gz FTSLTWKZNBASRO-LURJTMIESA-N -1 1 310.339 0.066 20 0 DCADMM CON(C)C(=O)[C@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001605140534 1169840913 /nfs/dbraw/zinc/84/09/13/1169840913.db2.gz FTSLTWKZNBASRO-LURJTMIESA-N -1 1 310.339 0.066 20 0 DCADMM CO[C@@H]1CCC[C@H]1OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001605145021 1169845765 /nfs/dbraw/zinc/84/57/65/1169845765.db2.gz RVXNIDKKTPGOBG-DJLDLDEBSA-N -1 1 307.314 0.130 20 0 DCADMM CO[C@H]1C[C@@H](CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC001605154434 1169851017 /nfs/dbraw/zinc/85/10/17/1169851017.db2.gz YGYCCUDOIYGLFL-DTORHVGOSA-N -1 1 306.326 0.247 20 0 DCADMM CO[C@H]1C[C@@H](CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC001605154434 1169851032 /nfs/dbraw/zinc/85/10/32/1169851032.db2.gz YGYCCUDOIYGLFL-DTORHVGOSA-N -1 1 306.326 0.247 20 0 DCADMM COc1cc(F)cc(CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001605223832 1169878350 /nfs/dbraw/zinc/87/83/50/1169878350.db2.gz GUSVOTDEJWAYIP-UHFFFAOYSA-N -1 1 301.285 0.838 20 0 DCADMM COc1ccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1O ZINC001605270031 1169883521 /nfs/dbraw/zinc/88/35/21/1169883521.db2.gz QLTHEJMKPCFLCQ-UHFFFAOYSA-N -1 1 315.293 0.243 20 0 DCADMM CCCCN1C(=O)N=NC1SCC(=O)NCCC(=O)[O-] ZINC001605292558 1169889124 /nfs/dbraw/zinc/88/91/24/1169889124.db2.gz VLLQRRWEIFYHTM-UHFFFAOYSA-N -1 1 302.356 0.467 20 0 DCADMM COc1ccccc1CCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001605332697 1169896708 /nfs/dbraw/zinc/89/67/08/1169896708.db2.gz LWMSOLQIOWCNLA-UHFFFAOYSA-N -1 1 313.321 0.927 20 0 DCADMM COc1ncc(NC(=O)NCCC[C@H](C)O)cc1-c1nn[n-]n1 ZINC001605346464 1169897590 /nfs/dbraw/zinc/89/75/90/1169897590.db2.gz CMXBZMIKIYUPOD-QMMMGPOBSA-N -1 1 321.341 0.553 20 0 DCADMM COc1cncc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001605342012 1169897967 /nfs/dbraw/zinc/89/79/67/1169897967.db2.gz NSJCDOHKSDHJHK-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1ccncc1Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001605338560 1169899756 /nfs/dbraw/zinc/89/97/56/1169899756.db2.gz YJCHDUZHROXRBP-UHFFFAOYSA-N -1 1 313.321 0.492 20 0 DCADMM CS(=O)(=O)c1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001605357554 1169902519 /nfs/dbraw/zinc/90/25/19/1169902519.db2.gz JTMZPKVRJILWNT-UHFFFAOYSA-N -1 1 319.350 0.605 20 0 DCADMM CS(=O)(=O)c1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001605357554 1169902523 /nfs/dbraw/zinc/90/25/23/1169902523.db2.gz JTMZPKVRJILWNT-UHFFFAOYSA-N -1 1 319.350 0.605 20 0 DCADMM CS[C@H](CO)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001605368792 1169905757 /nfs/dbraw/zinc/90/57/57/1169905757.db2.gz NTVVSQKDQSZWRD-LHLIQPBNSA-N -1 1 311.367 0.610 20 0 DCADMM CS[C@H](CO)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001605368792 1169905762 /nfs/dbraw/zinc/90/57/62/1169905762.db2.gz NTVVSQKDQSZWRD-LHLIQPBNSA-N -1 1 311.367 0.610 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCCF ZINC001605399550 1169911144 /nfs/dbraw/zinc/91/11/44/1169911144.db2.gz AXWNULGTVMFOBU-QMMMGPOBSA-N -1 1 308.321 0.323 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCCF ZINC001605399550 1169911150 /nfs/dbraw/zinc/91/11/50/1169911150.db2.gz AXWNULGTVMFOBU-QMMMGPOBSA-N -1 1 308.321 0.323 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001605426538 1169918910 /nfs/dbraw/zinc/91/89/10/1169918910.db2.gz QPLIWMHVGXLFOV-HLKOZVMDSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001605426538 1169918914 /nfs/dbraw/zinc/91/89/14/1169918914.db2.gz QPLIWMHVGXLFOV-HLKOZVMDSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@H](CNC(=O)OC(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001605434026 1169920218 /nfs/dbraw/zinc/92/02/18/1169920218.db2.gz PELFCGWCJRIBAB-MRVPVSSYSA-N -1 1 320.357 0.982 20 0 DCADMM C[C@H](CNC(=O)OC(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001605434026 1169920224 /nfs/dbraw/zinc/92/02/24/1169920224.db2.gz PELFCGWCJRIBAB-MRVPVSSYSA-N -1 1 320.357 0.982 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C(C)(C)C ZINC001605436067 1169920611 /nfs/dbraw/zinc/92/06/11/1169920611.db2.gz MMEVRZPCKNHTSB-MRVPVSSYSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C(C)(C)C ZINC001605436067 1169920616 /nfs/dbraw/zinc/92/06/16/1169920616.db2.gz MMEVRZPCKNHTSB-MRVPVSSYSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001605446145 1169923640 /nfs/dbraw/zinc/92/36/40/1169923640.db2.gz KIAMCYPQZQOUJT-ADLDAWLNSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001605446145 1169923647 /nfs/dbraw/zinc/92/36/47/1169923647.db2.gz KIAMCYPQZQOUJT-ADLDAWLNSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@H]1COC(C)(C)CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605445107 1169923778 /nfs/dbraw/zinc/92/37/78/1169923778.db2.gz FWYHOCQHQOTZGC-VIFPVBQESA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H]1COC(C)(C)CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605445107 1169923782 /nfs/dbraw/zinc/92/37/82/1169923782.db2.gz FWYHOCQHQOTZGC-VIFPVBQESA-N -1 1 302.338 0.901 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccnn2C(C)C)nn1C ZINC001605468471 1169931742 /nfs/dbraw/zinc/93/17/42/1169931742.db2.gz XSICUVUATPXXAV-UHFFFAOYSA-N -1 1 315.341 0.938 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccnn2C(C)C)nn1C ZINC001605468471 1169931743 /nfs/dbraw/zinc/93/17/43/1169931743.db2.gz XSICUVUATPXXAV-UHFFFAOYSA-N -1 1 315.341 0.938 20 0 DCADMM Cc1c(F)nccc1C[NH2+]CCn1cnc(-c2nn[n-]n2)n1 ZINC001605487769 1169937636 /nfs/dbraw/zinc/93/76/36/1169937636.db2.gz DTOZRZHHGDMPQI-UHFFFAOYSA-N -1 1 303.305 0.091 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCOC[C@@H]2CCCO2)n1 ZINC001605578112 1169963900 /nfs/dbraw/zinc/96/39/00/1169963900.db2.gz FJWMCLKCBHGQBE-NSHDSACASA-N -1 1 319.369 0.963 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCOC[C@@H]2CCCO2)n1 ZINC001605578112 1169963907 /nfs/dbraw/zinc/96/39/07/1169963907.db2.gz FJWMCLKCBHGQBE-NSHDSACASA-N -1 1 319.369 0.963 20 0 DCADMM Cc1cc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)ns1 ZINC001605625351 1169977084 /nfs/dbraw/zinc/97/70/84/1169977084.db2.gz WSOFDSHUKCIAOG-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1cc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)ns1 ZINC001605625351 1169977087 /nfs/dbraw/zinc/97/70/87/1169977087.db2.gz WSOFDSHUKCIAOG-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1cc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)n(C)n1 ZINC001605661162 1169983535 /nfs/dbraw/zinc/98/35/35/1169983535.db2.gz PAZDCOIHWGBMRO-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1cc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)n(C)n1 ZINC001605661162 1169983540 /nfs/dbraw/zinc/98/35/40/1169983540.db2.gz PAZDCOIHWGBMRO-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM CCOc1ccc(CN2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)nc1 ZINC001605690382 1169986101 /nfs/dbraw/zinc/98/61/01/1169986101.db2.gz KHZBWHBMVWOPJU-QWHCGFSZSA-N -1 1 308.334 0.786 20 0 DCADMM Cc1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001605722995 1169992436 /nfs/dbraw/zinc/99/24/36/1169992436.db2.gz DWWVATSHIGVDOD-NHYWBVRUSA-N -1 1 316.365 0.742 20 0 DCADMM Cc1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001605722995 1169992442 /nfs/dbraw/zinc/99/24/42/1169992442.db2.gz DWWVATSHIGVDOD-NHYWBVRUSA-N -1 1 316.365 0.742 20 0 DCADMM Cc1cc(NC[C@@]2(OCCO)CCOC2)cc(-c2nnn[n-]2)n1 ZINC001605729282 1169994279 /nfs/dbraw/zinc/99/42/79/1169994279.db2.gz AYHRCTGZNRYFPF-AWEZNQCLSA-N -1 1 320.353 0.150 20 0 DCADMM Cc1cc(NC[C@@]2(OCCO)CCOC2)cc(-c2nn[n-]n2)n1 ZINC001605729282 1169994280 /nfs/dbraw/zinc/99/42/80/1169994280.db2.gz AYHRCTGZNRYFPF-AWEZNQCLSA-N -1 1 320.353 0.150 20 0 DCADMM CCc1[nH]nc(Cl)c1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605842852 1170009530 /nfs/dbraw/zinc/00/95/30/1170009530.db2.gz WSAZYITYQXDJNG-HTQZYQBOSA-N -1 1 315.757 0.931 20 0 DCADMM CCc1[nH]nc(Cl)c1CN1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605842852 1170009533 /nfs/dbraw/zinc/00/95/33/1170009533.db2.gz WSAZYITYQXDJNG-HTQZYQBOSA-N -1 1 315.757 0.931 20 0 DCADMM Cc1ccc(N2C[C@H](C)S(=O)[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001605864758 1170016173 /nfs/dbraw/zinc/01/61/73/1170016173.db2.gz LLRKKSADUMAMHH-UWVGGRQHSA-N -1 1 306.395 0.916 20 0 DCADMM Cc1ccc(N2C[C@H](C)S(=O)[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001605864758 1170016180 /nfs/dbraw/zinc/01/61/80/1170016180.db2.gz LLRKKSADUMAMHH-UWVGGRQHSA-N -1 1 306.395 0.916 20 0 DCADMM Cc1ccc(N2C[C@H](C)O[C@]3(CCOC3)C2)c(-c2nnn[n-]2)n1 ZINC001605864436 1170016739 /nfs/dbraw/zinc/01/67/39/1170016739.db2.gz DBYUOYSEPMMXCP-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2C[C@H](C)O[C@]3(CCOC3)C2)c(-c2nn[n-]n2)n1 ZINC001605864436 1170016743 /nfs/dbraw/zinc/01/67/43/1170016743.db2.gz DBYUOYSEPMMXCP-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N(C)CC(C)(C)S(C)(=O)=O)c(-c2nnn[n-]2)n1 ZINC001605866060 1170017084 /nfs/dbraw/zinc/01/70/84/1170017084.db2.gz HHPFEVPKWGCIGZ-UHFFFAOYSA-N -1 1 324.410 0.830 20 0 DCADMM Cc1ccc(N(C)CC(C)(C)S(C)(=O)=O)c(-c2nn[n-]n2)n1 ZINC001605866060 1170017086 /nfs/dbraw/zinc/01/70/86/1170017086.db2.gz HHPFEVPKWGCIGZ-UHFFFAOYSA-N -1 1 324.410 0.830 20 0 DCADMM Cc1ccc(N2CCC[C@@H]2C2OCCO2)nc1-c1nnn[n-]1 ZINC001605867326 1170017136 /nfs/dbraw/zinc/01/71/36/1170017136.db2.gz HZPXAINVHVSMLK-SNVBAGLBSA-N -1 1 302.338 0.912 20 0 DCADMM Cc1ccc(N2CCC[C@@H]2C2OCCO2)nc1-c1nn[n-]n1 ZINC001605867326 1170017141 /nfs/dbraw/zinc/01/71/41/1170017141.db2.gz HZPXAINVHVSMLK-SNVBAGLBSA-N -1 1 302.338 0.912 20 0 DCADMM Cc1ccc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)c(-c2nnn[n-]2)n1 ZINC001605864433 1170017171 /nfs/dbraw/zinc/01/71/71/1170017171.db2.gz DBYUOYSEPMMXCP-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)c(-c2nn[n-]n2)n1 ZINC001605864433 1170017175 /nfs/dbraw/zinc/01/71/75/1170017175.db2.gz DBYUOYSEPMMXCP-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c(C(N)=O)c1 ZINC001605871154 1170017920 /nfs/dbraw/zinc/01/79/20/1170017920.db2.gz AYCUSYKNSNTPDY-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c(C(N)=O)c1 ZINC001605871154 1170017921 /nfs/dbraw/zinc/01/79/21/1170017921.db2.gz AYCUSYKNSNTPDY-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccc(N2CCc3n[nH]c(=O)cc3C2)nc1-c1nnn[n-]1 ZINC001605869136 1170018072 /nfs/dbraw/zinc/01/80/72/1170018072.db2.gz YTQVCUPOYMKMOB-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM Cc1ccc(N2CCc3n[nH]c(=O)cc3C2)nc1-c1nn[n-]n1 ZINC001605869136 1170018078 /nfs/dbraw/zinc/01/80/78/1170018078.db2.gz YTQVCUPOYMKMOB-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM Cc1ccncc1CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605962103 1170037352 /nfs/dbraw/zinc/03/73/52/1170037352.db2.gz YNPUEZZDOCFSAC-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1ccncc1CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605962103 1170037357 /nfs/dbraw/zinc/03/73/57/1170037357.db2.gz YNPUEZZDOCFSAC-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1cnc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)cn1 ZINC001605973951 1170038880 /nfs/dbraw/zinc/03/88/80/1170038880.db2.gz GTQLNDXDLCPTSC-UHFFFAOYSA-N -1 1 322.332 0.953 20 0 DCADMM Cc1cnc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)cn1 ZINC001605973951 1170038883 /nfs/dbraw/zinc/03/88/83/1170038883.db2.gz GTQLNDXDLCPTSC-UHFFFAOYSA-N -1 1 322.332 0.953 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCOCC3(CCC3)C2)n1 ZINC001606021225 1170052327 /nfs/dbraw/zinc/05/23/27/1170052327.db2.gz NKOUXQXEWKEOJT-UHFFFAOYSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCOCC3(CCC3)C2)n1 ZINC001606021225 1170052330 /nfs/dbraw/zinc/05/23/30/1170052330.db2.gz NKOUXQXEWKEOJT-UHFFFAOYSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(OC(=O)NC(C)C)C2)n1 ZINC001606019198 1170053288 /nfs/dbraw/zinc/05/32/88/1170053288.db2.gz AOTVOJAZWSVYDY-UHFFFAOYSA-N -1 1 318.341 0.288 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(OC(=O)NC(C)C)C2)n1 ZINC001606019198 1170053294 /nfs/dbraw/zinc/05/32/94/1170053294.db2.gz AOTVOJAZWSVYDY-UHFFFAOYSA-N -1 1 318.341 0.288 20 0 DCADMM Cc1nc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)oc2C)no1 ZINC001606034522 1170059958 /nfs/dbraw/zinc/05/99/58/1170059958.db2.gz APCKKGOCYIVKBF-YFKPBYRVSA-N -1 1 303.282 0.951 20 0 DCADMM Cc1nc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)no1 ZINC001606034522 1170059961 /nfs/dbraw/zinc/05/99/61/1170059961.db2.gz APCKKGOCYIVKBF-YFKPBYRVSA-N -1 1 303.282 0.951 20 0 DCADMM Cc1nc(NCCN2CCO[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001606074142 1170070285 /nfs/dbraw/zinc/07/02/85/1170070285.db2.gz ZETSLWXIEHMLGL-SECBINFHSA-N -1 1 304.358 0.098 20 0 DCADMM Cc1nn(C[C@@](C)(O)C(F)(F)F)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114289 1170078780 /nfs/dbraw/zinc/07/87/80/1170078780.db2.gz IHXXBPCUSBGLSV-SNVBAGLBSA-N -1 1 318.259 0.354 20 0 DCADMM Cc1nn(C)c(NC(=O)C[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC001606112131 1170078891 /nfs/dbraw/zinc/07/88/91/1170078891.db2.gz CBKYTGCEMJPSJY-VIFPVBQESA-N -1 1 305.342 0.806 20 0 DCADMM Cc1nn(C)c(NC(=O)C[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC001606112131 1170078899 /nfs/dbraw/zinc/07/88/99/1170078899.db2.gz CBKYTGCEMJPSJY-VIFPVBQESA-N -1 1 305.342 0.806 20 0 DCADMM Cc1nsc(NC(=O)CCn2ccnn2)c1-c1nnn[n-]1 ZINC001606149291 1170094427 /nfs/dbraw/zinc/09/44/27/1170094427.db2.gz LSRCODSIEOREML-UHFFFAOYSA-N -1 1 305.327 0.252 20 0 DCADMM Cc1nsc(NC(=O)CCn2ccnn2)c1-c1nn[n-]n1 ZINC001606149291 1170094435 /nfs/dbraw/zinc/09/44/35/1170094435.db2.gz LSRCODSIEOREML-UHFFFAOYSA-N -1 1 305.327 0.252 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](C)[C@H](CO)C1 ZINC001606165225 1170097411 /nfs/dbraw/zinc/09/74/11/1170097411.db2.gz AVMAQLPIERGOPO-SCZZXKLOSA-N -1 1 305.338 0.859 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](C)[C@H](CO)C1 ZINC001606165225 1170097418 /nfs/dbraw/zinc/09/74/18/1170097418.db2.gz AVMAQLPIERGOPO-SCZZXKLOSA-N -1 1 305.338 0.859 20 0 DCADMM Cc1onc(CC(=O)N[C@H](C)c2ccnn2C)c1-c1nnn[n-]1 ZINC001606180051 1170104462 /nfs/dbraw/zinc/10/44/62/1170104462.db2.gz XGDXWOLMHSELMW-SSDOTTSWSA-N -1 1 316.325 0.317 20 0 DCADMM Cc1onc(CC(=O)N[C@H](C)c2ccnn2C)c1-c1nn[n-]n1 ZINC001606180051 1170104465 /nfs/dbraw/zinc/10/44/65/1170104465.db2.gz XGDXWOLMHSELMW-SSDOTTSWSA-N -1 1 316.325 0.317 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H](O)C(C)(C)C2)c1-c1nnn[n-]1 ZINC001606178799 1170104714 /nfs/dbraw/zinc/10/47/14/1170104714.db2.gz UKQUPHRVURFUGZ-JTQLQIEISA-N -1 1 320.353 0.325 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H](O)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001606178799 1170104720 /nfs/dbraw/zinc/10/47/20/1170104720.db2.gz UKQUPHRVURFUGZ-JTQLQIEISA-N -1 1 320.353 0.325 20 0 DCADMM Cc1onc(CC(=O)N2Cc3ccncc3C2)c1-c1nnn[n-]1 ZINC001606179717 1170104967 /nfs/dbraw/zinc/10/49/67/1170104967.db2.gz BUCHALDYCHMEKQ-UHFFFAOYSA-N -1 1 311.305 0.643 20 0 DCADMM Cc1onc(CC(=O)N2Cc3ccncc3C2)c1-c1nn[n-]n1 ZINC001606179717 1170104974 /nfs/dbraw/zinc/10/49/74/1170104974.db2.gz BUCHALDYCHMEKQ-UHFFFAOYSA-N -1 1 311.305 0.643 20 0 DCADMM Cn1c(=O)[nH]c(N2CCC3(CCCC3)C2)c(-c2nn[n-]n2)c1=O ZINC001606201869 1170109848 /nfs/dbraw/zinc/10/98/48/1170109848.db2.gz GYJUHVWXHNYBKY-UHFFFAOYSA-N -1 1 317.353 0.024 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCC2CCC2)n(C)c1=O ZINC001606218899 1170118854 /nfs/dbraw/zinc/11/88/54/1170118854.db2.gz YAVAGYHYPKNEIU-UHFFFAOYSA-N -1 1 319.369 0.256 20 0 DCADMM CN(C)c1ncccc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001606236427 1170131184 /nfs/dbraw/zinc/13/11/84/1170131184.db2.gz XDUOHQGLKVRPFZ-NSHDSACASA-N -1 1 306.366 0.236 20 0 DCADMM CN1CCN(Cc2cn(Cc3occc3C(=O)[O-])nn2)CC1 ZINC001606244382 1170133981 /nfs/dbraw/zinc/13/39/81/1170133981.db2.gz JBFOWXDDOFYGFY-UHFFFAOYSA-N -1 1 305.338 0.365 20 0 DCADMM CN1CCN(Cn2cc(C(=O)[O-])nn2)[C@H](Cc2ccccc2)C1 ZINC001606244226 1170134230 /nfs/dbraw/zinc/13/42/30/1170134230.db2.gz BUWHNZXJDPMTKO-CQSZACIVSA-N -1 1 315.377 0.793 20 0 DCADMM CN1CCN(CCNC(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001606242734 1170134397 /nfs/dbraw/zinc/13/43/97/1170134397.db2.gz SFALJJULPUHRJL-UHFFFAOYSA-N -1 1 321.377 0.127 20 0 DCADMM CN1CCN(CCNC(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001606242335 1170134808 /nfs/dbraw/zinc/13/48/08/1170134808.db2.gz CVHCCAWVVOGGRE-HYXAFXHYSA-N -1 1 307.350 0.355 20 0 DCADMM CNC(=O)[C@H](NC(=O)CN[C@@H](C(=O)[O-])C1CC1)c1ccccc1 ZINC001606261916 1170139131 /nfs/dbraw/zinc/13/91/31/1170139131.db2.gz ZZJMXJZQFFGJKE-ZIAGYGMSSA-N -1 1 319.361 0.043 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001606265592 1170140549 /nfs/dbraw/zinc/14/05/49/1170140549.db2.gz IBMQLRDLRDEKHM-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001606265592 1170140550 /nfs/dbraw/zinc/14/05/50/1170140550.db2.gz IBMQLRDLRDEKHM-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM COC(=O)[C@H]1CCC[C@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC001606400688 1170185700 /nfs/dbraw/zinc/18/57/00/1170185700.db2.gz NGIOCQNCFHUBHR-JBLDHEPKSA-N -1 1 323.349 0.501 20 0 DCADMM COC(=O)[C@@H]1CCN(CCOC(=O)N(C)C)[C@H](C(=O)[O-])C1 ZINC001606408252 1170188031 /nfs/dbraw/zinc/18/80/31/1170188031.db2.gz AXAJBXMJYFPHCF-ZJUUUORDSA-N -1 1 302.327 0.023 20 0 DCADMM NC(=O)c1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)c[nH]1 ZINC001606426933 1170196355 /nfs/dbraw/zinc/19/63/55/1170196355.db2.gz HZMDJBXFXIEPBT-UHFFFAOYSA-N -1 1 313.277 0.046 20 0 DCADMM NC(=O)c1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)c[nH]1 ZINC001606426933 1170196359 /nfs/dbraw/zinc/19/63/59/1170196359.db2.gz HZMDJBXFXIEPBT-UHFFFAOYSA-N -1 1 313.277 0.046 20 0 DCADMM NC(=O)c1cccc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001606433652 1170199961 /nfs/dbraw/zinc/19/99/61/1170199961.db2.gz UETWKDMFFLBYDI-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM NC(=O)c1cccc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001606433652 1170199968 /nfs/dbraw/zinc/19/99/68/1170199968.db2.gz UETWKDMFFLBYDI-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1c(F)ccc(F)c1F ZINC001606446206 1170206417 /nfs/dbraw/zinc/20/64/17/1170206417.db2.gz HZKWVHVSMYBMAK-UHFFFAOYSA-N -1 1 309.211 0.751 20 0 DCADMM Nc1cccnc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606452173 1170209238 /nfs/dbraw/zinc/20/92/38/1170209238.db2.gz FVWWNWSCXBGJKE-UHFFFAOYSA-N -1 1 302.323 0.230 20 0 DCADMM Nc1cccnc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606452173 1170209245 /nfs/dbraw/zinc/20/92/45/1170209245.db2.gz FVWWNWSCXBGJKE-UHFFFAOYSA-N -1 1 302.323 0.230 20 0 DCADMM O=C(CC[C@H]1CCCO1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606513166 1170224610 /nfs/dbraw/zinc/22/46/10/1170224610.db2.gz HWNVDYNWCXQKOX-MRVPVSSYSA-N -1 1 308.367 0.899 20 0 DCADMM O=C(CCC1CCCC1)Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001606512252 1170224719 /nfs/dbraw/zinc/22/47/19/1170224719.db2.gz ZUKDTPQTXHVDFN-UHFFFAOYSA-N -1 1 318.337 0.669 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@@H]1CCCOC1 ZINC001606596438 1170241223 /nfs/dbraw/zinc/24/12/23/1170241223.db2.gz MFVJAUXWXQLLRE-LLVKDONJSA-N -1 1 303.322 0.774 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@@H]1CCCOC1 ZINC001606596438 1170241228 /nfs/dbraw/zinc/24/12/28/1170241228.db2.gz MFVJAUXWXQLLRE-LLVKDONJSA-N -1 1 303.322 0.774 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)Nc1ccc(Cl)nc1 ZINC001606617072 1170243751 /nfs/dbraw/zinc/24/37/51/1170243751.db2.gz BITZJLVGYVISSF-UHFFFAOYSA-N -1 1 305.689 0.145 20 0 DCADMM O=C(N[C@@H](c1ncccn1)C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606638991 1170250813 /nfs/dbraw/zinc/25/08/13/1170250813.db2.gz VNRNSCLSFJJCGM-GFCCVEGCSA-N -1 1 322.332 0.933 20 0 DCADMM O=C(N[C@@H](c1ncccn1)C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606638991 1170250817 /nfs/dbraw/zinc/25/08/17/1170250817.db2.gz VNRNSCLSFJJCGM-GFCCVEGCSA-N -1 1 322.332 0.933 20 0 DCADMM CO[C@H](C)[C@@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001606667025 1170255954 /nfs/dbraw/zinc/25/59/54/1170255954.db2.gz WPYSFVOIODUUSW-QJPTWQEYSA-N -1 1 301.387 0.600 20 0 DCADMM O=C(N[C@@H]1CCn2ccnc21)c1ccc(-c2nnn[n-]2)s1 ZINC001606686526 1170263442 /nfs/dbraw/zinc/26/34/42/1170263442.db2.gz JJXNYWBGBMKTGO-SSDOTTSWSA-N -1 1 301.335 1.000 20 0 DCADMM O=C(N[C@@H]1CCn2ccnc21)c1ccc(-c2nn[n-]n2)s1 ZINC001606686526 1170263447 /nfs/dbraw/zinc/26/34/47/1170263447.db2.gz JJXNYWBGBMKTGO-SSDOTTSWSA-N -1 1 301.335 1.000 20 0 DCADMM O=C(NC[C@@H](CO)c1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606695160 1170263832 /nfs/dbraw/zinc/26/38/32/1170263832.db2.gz LJNYDMRYLQFLRE-LBPRGKRZSA-N -1 1 324.344 0.768 20 0 DCADMM O=C(NC[C@@H](CO)c1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606695160 1170263839 /nfs/dbraw/zinc/26/38/39/1170263839.db2.gz LJNYDMRYLQFLRE-LBPRGKRZSA-N -1 1 324.344 0.768 20 0 DCADMM O=C(NC[C@@H](O)C1CCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606703303 1170267201 /nfs/dbraw/zinc/26/72/01/1170267201.db2.gz GITKXTVUDXIWBY-LLVKDONJSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@@H](O)C1CCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606703303 1170267208 /nfs/dbraw/zinc/26/72/08/1170267208.db2.gz GITKXTVUDXIWBY-LLVKDONJSA-N -1 1 303.326 0.544 20 0 DCADMM CO[C@@]1(C(=O)[O-])CCN(CC(=O)N2C[C@H](C)OC(C)(C)C2)C1 ZINC001606704107 1170267903 /nfs/dbraw/zinc/26/79/03/1170267903.db2.gz UTICGMXRGUNXDC-NHYWBVRUSA-N -1 1 314.382 0.188 20 0 DCADMM CO[C@]1(C(=O)[O-])CCN([C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC001606702688 1170267994 /nfs/dbraw/zinc/26/79/94/1170267994.db2.gz FNAIJWLZSTVLHS-XJKSGUPXSA-N -1 1 306.362 0.991 20 0 DCADMM CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cnc3c(c2)c(C)nn3C)C1 ZINC001606705936 1170269802 /nfs/dbraw/zinc/26/98/02/1170269802.db2.gz HRRJZVVLFGSQOT-OAHLLOKOSA-N -1 1 304.350 0.952 20 0 DCADMM O=C(NCC1(O)CCCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606713370 1170271106 /nfs/dbraw/zinc/27/11/06/1170271106.db2.gz FWKVKFWFIZRHJT-UHFFFAOYSA-N -1 1 302.338 0.687 20 0 DCADMM O=C(NCC1(O)CCCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606713370 1170271108 /nfs/dbraw/zinc/27/11/08/1170271108.db2.gz FWKVKFWFIZRHJT-UHFFFAOYSA-N -1 1 302.338 0.687 20 0 DCADMM O=C(NCC1CCC(O)CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606723545 1170272785 /nfs/dbraw/zinc/27/27/85/1170272785.db2.gz QHGDCZVJAVNJQT-UHFFFAOYSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NCC1CCC(O)CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606723545 1170272791 /nfs/dbraw/zinc/27/27/91/1170272791.db2.gz QHGDCZVJAVNJQT-UHFFFAOYSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@@H]1COC2(CCCC2)O1)c1coc(-c2nnn[n-]2)c1 ZINC001606749442 1170277851 /nfs/dbraw/zinc/27/78/51/1170277851.db2.gz LXDHFQPFWIGWJZ-SNVBAGLBSA-N -1 1 319.321 0.875 20 0 DCADMM O=C(NC[C@@H]1COC2(CCCC2)O1)c1coc(-c2nn[n-]n2)c1 ZINC001606749442 1170277856 /nfs/dbraw/zinc/27/78/56/1170277856.db2.gz LXDHFQPFWIGWJZ-SNVBAGLBSA-N -1 1 319.321 0.875 20 0 DCADMM CO[C@H]1CN(C(=O)Cc2csc(CN)n2)[C@@](C)(C(=O)[O-])C1 ZINC001606764526 1170282258 /nfs/dbraw/zinc/28/22/58/1170282258.db2.gz RTDAAOCJMWXFGH-NOZJJQNGSA-N -1 1 313.379 0.235 20 0 DCADMM COC[C@@H](C)OC[C@H](O)CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC001606798086 1170293365 /nfs/dbraw/zinc/29/33/65/1170293365.db2.gz LBHGHPCSPFSPRC-BXUZGUMPSA-N -1 1 312.366 0.624 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)s1 ZINC001606803084 1170295022 /nfs/dbraw/zinc/29/50/22/1170295022.db2.gz 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Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001609477260 1170992712 /nfs/dbraw/zinc/99/27/12/1170992712.db2.gz JYJVBPKBGCZVAI-KHQFGBGNSA-N -1 1 302.342 0.910 20 0 DCADMM O=C(N[C@H]1CCCCNC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609541226 1171013933 /nfs/dbraw/zinc/01/39/33/1171013933.db2.gz CTVNSEJMEJBJMA-JTQLQIEISA-N -1 1 318.312 0.404 20 0 DCADMM O=C(N[C@H]1CCCCNC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609541226 1171013937 /nfs/dbraw/zinc/01/39/37/1171013937.db2.gz CTVNSEJMEJBJMA-JTQLQIEISA-N -1 1 318.312 0.404 20 0 DCADMM O=C(NCCCOC1CCOCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001609548817 1171019581 /nfs/dbraw/zinc/01/95/81/1171019581.db2.gz ZCLKKFKHFNREDT-UHFFFAOYSA-N -1 1 321.337 0.775 20 0 DCADMM O=C(NCCCOC1CCOCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001609548817 1171019588 /nfs/dbraw/zinc/01/95/88/1171019588.db2.gz ZCLKKFKHFNREDT-UHFFFAOYSA-N -1 1 321.337 0.775 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCC[C@H]1CCO ZINC001609583986 1171029895 /nfs/dbraw/zinc/02/98/95/1171029895.db2.gz PMQZAPPNLYTQJF-NSHDSACASA-N -1 1 302.338 0.639 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCC[C@H]1CCO ZINC001609583986 1171029902 /nfs/dbraw/zinc/02/99/02/1171029902.db2.gz PMQZAPPNLYTQJF-NSHDSACASA-N -1 1 302.338 0.639 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H](CO)CC1 ZINC001609583521 1171030057 /nfs/dbraw/zinc/03/00/57/1171030057.db2.gz CPGHGDSUIUIHKY-SNVBAGLBSA-N -1 1 302.338 0.496 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H](CO)CC1 ZINC001609583521 1171030063 /nfs/dbraw/zinc/03/00/63/1171030063.db2.gz CPGHGDSUIUIHKY-SNVBAGLBSA-N -1 1 302.338 0.496 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1ccc2c(c1)OCCO2 ZINC001609604615 1171039806 /nfs/dbraw/zinc/03/98/06/1171039806.db2.gz ARJZNNHAUZUEHN-UHFFFAOYSA-N -1 1 312.289 0.243 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001609606463 1171042492 /nfs/dbraw/zinc/04/24/92/1171042492.db2.gz JUSYXZWUHYURED-JTQLQIEISA-N -1 1 301.285 0.363 20 0 DCADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@H](O)C2(CC2)C1 ZINC001609635891 1171057212 /nfs/dbraw/zinc/05/72/12/1171057212.db2.gz GFGFKJAEECLZRR-FZMZJTMJSA-N -1 1 318.373 0.846 20 0 DCADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1C[C@@H](O)C2(CC2)C1 ZINC001609635893 1171057536 /nfs/dbraw/zinc/05/75/36/1171057536.db2.gz GFGFKJAEECLZRR-SMDDNHRTSA-N -1 1 318.373 0.846 20 0 DCADMM CC(C)C[C@@H](NC(=O)CN1CCN(C)C[C@H]1C(C)C)C(=O)[O-] ZINC001609694436 1171068482 /nfs/dbraw/zinc/06/84/82/1171068482.db2.gz ZHFLMFMSBVPSHV-KGLIPLIRSA-N -1 1 313.442 0.874 20 0 DCADMM C[C@@H](CN1CCN(C)CC1)NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001609743048 1171077206 /nfs/dbraw/zinc/07/72/06/1171077206.db2.gz BSOGXFLRHIXEPJ-LBPRGKRZSA-N -1 1 314.430 0.422 20 0 DCADMM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H](NC(=O)N(C)C)C2)O1 ZINC001609828907 1171097056 /nfs/dbraw/zinc/09/70/56/1171097056.db2.gz QSKOKBVNAQDRIJ-VXGBXAGGSA-N -1 1 311.382 0.870 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)COCc1cccnc1 ZINC001609870140 1171109846 /nfs/dbraw/zinc/10/98/46/1171109846.db2.gz ZFPXHSJHPOWJKP-CYBMUJFWSA-N -1 1 321.377 0.606 20 0 DCADMM CC[C@H]1CN(C)CCN1Cn1nc(C(=O)[O-])cc1C(=O)OC ZINC001609950098 1171126539 /nfs/dbraw/zinc/12/65/39/1171126539.db2.gz XMHCRQFBCXMGIJ-JTQLQIEISA-N -1 1 310.354 0.351 20 0 DCADMM CCN(CC)CCS(=O)(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001609999494 1171133798 /nfs/dbraw/zinc/13/37/98/1171133798.db2.gz HDFDJJDNWQGZQC-NSHDSACASA-N -1 1 324.468 0.408 20 0 DCADMM CCN1C(=O)[C@@H]2CN([C@H](C(=O)[O-])c3ccsc3)CCN2C1=O ZINC001610006493 1171135183 /nfs/dbraw/zinc/13/51/83/1171135183.db2.gz UELQRXANFVZREC-QWRGUYRKSA-N -1 1 323.374 0.842 20 0 DCADMM CN(CCC(=O)NCC(=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001610115713 1171162348 /nfs/dbraw/zinc/16/23/48/1171162348.db2.gz OMXCEKVBYGGQER-UHFFFAOYSA-N -1 1 315.370 0.128 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)[C@H]2CCCS2)CC1 ZINC001610133081 1171168180 /nfs/dbraw/zinc/16/81/80/1171168180.db2.gz CYNNQQQOPOBGBY-GFCCVEGCSA-N -1 1 315.439 0.043 20 0 DCADMM CN1CCN(C(=O)[C@@](C)(O)Cc2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001610135567 1171169920 /nfs/dbraw/zinc/16/99/20/1171169920.db2.gz XRAYLWAGJDVPKY-YOEHRIQHSA-N -1 1 320.389 0.455 20 0 DCADMM COC(=O)c1coc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c1 ZINC001610219216 1171198878 /nfs/dbraw/zinc/19/88/78/1171198878.db2.gz QFGOGPDNAFAICA-SNVBAGLBSA-N -1 1 310.306 0.155 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001610568811 1171256592 /nfs/dbraw/zinc/25/65/92/1171256592.db2.gz MEZFWXPPFQJOTO-UFBFGSQYSA-N -1 1 319.365 0.676 20 0 DCADMM Cc1oc(S(=O)(=O)NCCN(C)C2CC2)cc1C(=O)[O-] ZINC001610586661 1171260647 /nfs/dbraw/zinc/26/06/47/1171260647.db2.gz NLRMECZKRMFQDA-UHFFFAOYSA-N -1 1 302.352 0.659 20 0 DCADMM Cn1cc(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)cc1C(=O)[O-] ZINC001610605190 1171265316 /nfs/dbraw/zinc/26/53/16/1171265316.db2.gz UIMZNXRVVARPNL-SECBINFHSA-N -1 1 320.349 0.015 20 0 DCADMM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC001610702349 1171294993 /nfs/dbraw/zinc/29/49/93/1171294993.db2.gz IRORKBLTOATHDX-RWMBFGLXSA-N -1 1 311.382 0.213 20 0 DCADMM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC001610702350 1171295078 /nfs/dbraw/zinc/29/50/78/1171295078.db2.gz IRORKBLTOATHDX-UPJWGTAASA-N -1 1 311.382 0.213 20 0 DCADMM O=C([O-])[C@@H]1C[C@H](O)CN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC001610737674 1171305001 /nfs/dbraw/zinc/30/50/01/1171305001.db2.gz RNPSTGJNJJAODM-SNPRPXQTSA-N -1 1 318.373 0.774 20 0 DCADMM O=C([O-])C[C@@]1(NCC(=O)Nc2ccc(Cl)cn2)CCOC1 ZINC001610758920 1171312724 /nfs/dbraw/zinc/31/27/24/1171312724.db2.gz WMQKEDKTVDEBPL-ZDUSSCGKSA-N -1 1 313.741 0.897 20 0 DCADMM O=C([O-])c1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)[nH]1 ZINC001610822266 1171333677 /nfs/dbraw/zinc/33/36/77/1171333677.db2.gz ZXKWWONXHFSFBA-CHWSQXEVSA-N -1 1 307.350 0.384 20 0 DCADMM O=C([O-])c1ccc(N2C(=O)N[C@@H](Cc3cnc[nH]3)C2=O)cc1 ZINC001610832729 1171336062 /nfs/dbraw/zinc/33/60/62/1171336062.db2.gz LJUZIMYEVFSBMY-NSHDSACASA-N -1 1 300.274 0.775 20 0 DCADMM O=C([O-])c1cccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)n1 ZINC001610845935 1171339318 /nfs/dbraw/zinc/33/93/18/1171339318.db2.gz AQYBMLNORAQZBR-ZDUSSCGKSA-N -1 1 305.378 0.934 20 0 DCADMM O=C([O-])c1cn([C@H]2CCN(C(=O)c3ccc(F)cc3O)C2)nn1 ZINC001610858661 1171341431 /nfs/dbraw/zinc/34/14/31/1171341431.db2.gz IYDOZEFSMLYCPQ-VIFPVBQESA-N -1 1 320.280 0.908 20 0 DCADMM O=C(CCCc1nn[n-]n1)N[C@@H]1CN(c2ccccc2)C1=O ZINC001611489573 1171357252 /nfs/dbraw/zinc/35/72/52/1171357252.db2.gz HYIMAWMXKINFEG-LLVKDONJSA-N -1 1 300.322 0.054 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCCOc1cccnc1 ZINC001617570855 1171389243 /nfs/dbraw/zinc/38/92/43/1171389243.db2.gz GTAJBYVOUDEBKQ-UHFFFAOYSA-N -1 1 316.317 0.107 20 0 DCADMM O=S(=O)([N-]C[C@H](O)c1ccco1)c1ccc(F)nc1F ZINC001621829709 1171415069 /nfs/dbraw/zinc/41/50/69/1171415069.db2.gz LLRFSPVKHLTZHN-ZETCQYMHSA-N -1 1 304.274 0.965 20 0 DCADMM O=C(NCCn1cnnn1)c1c([O-])cnc2c(F)cccc21 ZINC001622327035 1171422768 /nfs/dbraw/zinc/42/27/68/1171422768.db2.gz WOPSIPNYUHEROJ-UHFFFAOYSA-N -1 1 302.269 0.496 20 0 DCADMM C[C@H](CN(C)C(=O)c1cn(-c2cccnc2)nn1)c1nn[n-]n1 ZINC001624667982 1171458939 /nfs/dbraw/zinc/45/89/39/1171458939.db2.gz SBHCYBDTSPJQBZ-SECBINFHSA-N -1 1 313.325 0.051 20 0 DCADMM Cc1nc([C@H](NC(=O)c2ncccc2[O-])c2cnn(C)c2)no1 ZINC001625177546 1171467772 /nfs/dbraw/zinc/46/77/72/1171467772.db2.gz RTYGSTOBAFPNCW-LLVKDONJSA-N -1 1 314.305 0.732 20 0 DCADMM CC[C@@]1(C)NC(=O)N(NC(=O)c2cnc(C3CC3)[n-]c2=O)C1=O ZINC001626598863 1171485045 /nfs/dbraw/zinc/48/50/45/1171485045.db2.gz WNEGPEUPGUHKPD-CQSZACIVSA-N -1 1 319.321 0.425 20 0 DCADMM O=C(Nc1nn[n-]n1)C(=O)c1ccc(Br)s1 ZINC001628638316 1171533267 /nfs/dbraw/zinc/53/32/67/1171533267.db2.gz NPMPSRBJLZMOGH-UHFFFAOYSA-N -1 1 302.113 0.845 20 0 DCADMM Cc1cn2ccnc(C(=O)NCc3cc([O-])[nH]c(=O)n3)c2n1 ZINC001631051073 1171586785 /nfs/dbraw/zinc/58/67/85/1171586785.db2.gz PSZYZIBXIWVISC-UHFFFAOYSA-N -1 1 300.278 0.169 20 0 DCADMM CSc1nc(CNC(=O)c2ccn3nnnc3c2)cc(=O)[n-]1 ZINC001631271573 1171591267 /nfs/dbraw/zinc/59/12/67/1171591267.db2.gz JSGYQQFBARWFCE-UHFFFAOYSA-N -1 1 317.334 0.272 20 0 DCADMM CSc1nc(CNC(=O)c2cnn3cccnc23)cc(=O)[n-]1 ZINC001631271849 1171591510 /nfs/dbraw/zinc/59/15/10/1171591510.db2.gz PUFVLLAUQQBFRE-UHFFFAOYSA-N -1 1 316.346 0.877 20 0 DCADMM CSCC[C@H](NC(=O)c1cnn2ccncc12)c1nn[n-]n1 ZINC001633461877 1171643535 /nfs/dbraw/zinc/64/35/35/1171643535.db2.gz PHIKKKMDNUTYOJ-VIFPVBQESA-N -1 1 318.366 0.467 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC[S@](=O)C1 ZINC001634099125 1171659426 /nfs/dbraw/zinc/65/94/26/1171659426.db2.gz YBJSRGFLIJFNQC-FPVGNUTFSA-N -1 1 324.431 0.859 20 0 DCADMM O=C(c1ccnc2ccncc21)N1CCOC[C@H]1c1nn[n-]n1 ZINC001635090554 1171692536 /nfs/dbraw/zinc/69/25/36/1171692536.db2.gz LMXRWVBUCCPISU-LBPRGKRZSA-N -1 1 311.305 0.357 20 0 DCADMM NC(=O)COCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001635784476 1171713616 /nfs/dbraw/zinc/71/36/16/1171713616.db2.gz NOXUBAJZIJMBRM-UHFFFAOYSA-N -1 1 304.302 0.483 20 0 DCADMM O=C(N[C@@H]1Cc2cccnc2NC1=O)C(=O)c1ccc([O-])cc1 ZINC001637095446 1171758431 /nfs/dbraw/zinc/75/84/31/1171758431.db2.gz XJCMJBNJOSRGFE-GFCCVEGCSA-N -1 1 311.297 0.650 20 0 DCADMM O=C(Nc1ccc(F)cc1[O-])c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001638506365 1171799397 /nfs/dbraw/zinc/79/93/97/1171799397.db2.gz FCLRGOLUVYJJJX-MRVPVSSYSA-N -1 1 321.268 0.484 20 0 DCADMM Cc1c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)nnn1C ZINC001639083572 1171822352 /nfs/dbraw/zinc/82/23/52/1171822352.db2.gz JYPQFYTVXUVFDQ-UHFFFAOYSA-N -1 1 315.293 0.434 20 0 DCADMM Cc1c(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)nnn1C ZINC001639083572 1171822364 /nfs/dbraw/zinc/82/23/64/1171822364.db2.gz JYPQFYTVXUVFDQ-UHFFFAOYSA-N -1 1 315.293 0.434 20 0 DCADMM COc1cnc([C@@H]2CCCN2C(=O)c2ccc[n+]([O-])c2)[n-]c1=O ZINC001640131995 1171866382 /nfs/dbraw/zinc/86/63/82/1171866382.db2.gz DLQNBRQYQFXRAB-NSHDSACASA-N -1 1 316.317 0.802 20 0 DCADMM CSc1nc(CNC(=O)c2cnn3ccncc23)cc(=O)[n-]1 ZINC001640174101 1171869499 /nfs/dbraw/zinc/86/94/99/1171869499.db2.gz DDDBYYBTDPNDSU-UHFFFAOYSA-N -1 1 316.346 0.877 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc2nnnn2c1 ZINC001641597810 1171922344 /nfs/dbraw/zinc/92/23/44/1171922344.db2.gz YBWBETHICISSBT-LBPRGKRZSA-N -1 1 321.304 0.157 20 0 DCADMM O=C(c1ccc(Cc2nnc[nH]2)cc1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001643387425 1171973280 /nfs/dbraw/zinc/97/32/80/1171973280.db2.gz QCRDNOLLMILNOY-GFCCVEGCSA-N -1 1 324.348 0.538 20 0 DCADMM CCc1nc2c(nccc2C(=O)N[C@@H](COC)c2nn[n-]n2)[nH]1 ZINC001644691952 1172015146 /nfs/dbraw/zinc/01/51/46/1172015146.db2.gz XJIYERKBSRTKQK-QMMMGPOBSA-N -1 1 316.325 0.151 20 0 DCADMM COC[C@@H](NC(=O)Cc1cccc2cnccc21)c1nn[n-]n1 ZINC001644688996 1172015190 /nfs/dbraw/zinc/01/51/90/1172015190.db2.gz JTPNFQMVUJYEGI-CYBMUJFWSA-N -1 1 312.333 0.794 20 0 DCADMM O=C(CCc1nc2cccnc2[nH]1)NC1(c2nn[n-]n2)CCC1 ZINC001644748604 1172020510 /nfs/dbraw/zinc/02/05/10/1172020510.db2.gz QFBRMVSBLIKGEI-UHFFFAOYSA-N -1 1 312.337 0.599 20 0 DCADMM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001645107918 1172028740 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307.335 0.813 20 0 DCADMM O=C(Nc1cnc2nccn2c1)N1CCC(c2nn[n-]n2)CC1 ZINC001679418570 1175728514 /nfs/dbraw/zinc/72/85/14/1175728514.db2.gz JMPVSHYTEMGOKK-UHFFFAOYSA-N -1 1 313.325 0.654 20 0 DCADMM CO[C@H]1CCC[C@@H]1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001686972608 1176257798 /nfs/dbraw/zinc/25/77/98/1176257798.db2.gz SJIVHAKSZGYORK-AAEUAGOBSA-N -1 1 321.377 0.838 20 0 DCADMM CCOCCCC(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001689648856 1176990429 /nfs/dbraw/zinc/99/04/29/1176990429.db2.gz NZNGITXYXNNWNJ-UHFFFAOYSA-N -1 1 321.377 0.887 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1cnn(C(C)C)c1 ZINC001699214089 1177946867 /nfs/dbraw/zinc/94/68/67/1177946867.db2.gz FFSAHZOTYIYWFI-UHFFFAOYSA-N -1 1 321.385 0.540 20 0 DCADMM Cc1nonc1CNC/C=C/CNC(=O)c1ncccc1[O-] ZINC001699248286 1177979966 /nfs/dbraw/zinc/97/99/66/1177979966.db2.gz ROXRHOFRBVKGCN-NSCUHMNNSA-N -1 1 303.322 0.554 20 0 DCADMM C[C@@H](CCCNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CCOC1 ZINC001701447496 1179024420 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CCOC(=O)c1cc(C(=O)N[C@@H](COC)c2nn[n-]n2)[nH]c1C ZINC001362910806 960167514 /nfs/dbraw/zinc/16/75/14/960167514.db2.gz RVRUYNYNGAKKHP-JTQLQIEISA-N -1 1 322.325 0.130 20 0 DCADMM COC[C@H](NC(=O)Cc1ccc(C(C)=O)cc1)c1nn[n-]n1 ZINC001362911579 960167561 /nfs/dbraw/zinc/16/75/61/960167561.db2.gz UILXELBFBSSMRU-LBPRGKRZSA-N -1 1 303.322 0.449 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H](OCC)C2CC2)n[n-]1 ZINC001362930089 960190079 /nfs/dbraw/zinc/19/00/79/960190079.db2.gz ARKWTNUTLLVCAP-WPRPVWTQSA-N -1 1 310.354 0.974 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H](OCC)C2CC2)[n-]1 ZINC001362930089 960190085 /nfs/dbraw/zinc/19/00/85/960190085.db2.gz ARKWTNUTLLVCAP-WPRPVWTQSA-N -1 1 310.354 0.974 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H](OCC)C2CC2)n1 ZINC001362930089 960190089 /nfs/dbraw/zinc/19/00/89/960190089.db2.gz ARKWTNUTLLVCAP-WPRPVWTQSA-N -1 1 310.354 0.974 20 0 DCADMM CCOC(=O)c1csc(CCNC(=O)CCc2nn[n-]n2)n1 ZINC001362932448 960192404 /nfs/dbraw/zinc/19/24/04/960192404.db2.gz 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CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCOC1 ZINC001399577225 993580193 /nfs/dbraw/zinc/58/01/93/993580193.db2.gz QJCJOHNPDZRSFJ-RYUDHWBXSA-N -1 1 321.377 0.694 20 0 DCADMM CCN(CCNC(=O)c1ncccc1C)Cc1nc(=O)n(C)[n-]1 ZINC001399686506 993671332 /nfs/dbraw/zinc/67/13/32/993671332.db2.gz GJCSEXUHCIKJEN-UHFFFAOYSA-N -1 1 318.381 0.064 20 0 DCADMM CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC001598610288 993755823 /nfs/dbraw/zinc/75/58/23/993755823.db2.gz BWDBPBPZDNKALW-CQSZACIVSA-N -1 1 319.405 0.679 20 0 DCADMM CN1CCN(C)[C@H](CNC(=O)CCc2ccccc2C(=O)[O-])C1 ZINC001598610288 993755831 /nfs/dbraw/zinc/75/58/31/993755831.db2.gz BWDBPBPZDNKALW-CQSZACIVSA-N -1 1 319.405 0.679 20 0 DCADMM Cn1nc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cc1C1CC1 ZINC001598610837 993770470 /nfs/dbraw/zinc/77/04/70/993770470.db2.gz NRAMRLLPLIIIOA-NSHDSACASA-N -1 1 306.366 0.386 20 0 DCADMM CN1CCN(C(=O)c2cccc3c2OCCO3)C[C@@H](C(=O)[O-])C1 ZINC001598612781 993813113 /nfs/dbraw/zinc/81/31/13/993813113.db2.gz 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/nfs/dbraw/zinc/17/19/93/415171993.db2.gz IBQSISMJSNOLFM-GXSJLCMTSA-N -1 1 316.151 0.986 20 0 DCADMM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1(C)C ZINC000352468072 415189178 /nfs/dbraw/zinc/18/91/78/415189178.db2.gz YRPYYPABZITCOL-QWRGUYRKSA-N -1 1 319.365 0.693 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H](O)C1CC1 ZINC000268403351 415207812 /nfs/dbraw/zinc/20/78/12/415207812.db2.gz NLMCGTJEQRMQGO-CYBMUJFWSA-N -1 1 318.377 0.871 20 0 DCADMM CN(Cc1ccnn1C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000352542202 415214307 /nfs/dbraw/zinc/21/43/07/415214307.db2.gz KEDAVZXUWOEDMC-UHFFFAOYSA-N -1 1 300.322 0.680 20 0 DCADMM CCn1nc(C)c(NC(=O)CNC(=O)c2ncccc2[O-])c1C ZINC000352544139 415215877 /nfs/dbraw/zinc/21/58/77/415215877.db2.gz OCNXWVXIJSDVTQ-UHFFFAOYSA-N -1 1 317.349 0.989 20 0 DCADMM CC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000268569466 415243251 /nfs/dbraw/zinc/24/32/51/415243251.db2.gz GTKAGAFODZGFMI-VIFPVBQESA-N -1 1 305.352 0.753 20 0 DCADMM O=C1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)CN1 ZINC000352869305 415351708 /nfs/dbraw/zinc/35/17/08/415351708.db2.gz HDNPOHNJAPMUOK-ZCFIWIBFSA-N -1 1 323.168 0.599 20 0 DCADMM CCC1(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCOCC1 ZINC000353042065 415414302 /nfs/dbraw/zinc/41/43/02/415414302.db2.gz DCYHWVLWIMDEDE-UHFFFAOYSA-N -1 1 302.356 0.354 20 0 DCADMM CCC1(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CCOCC1 ZINC000353042065 415414305 /nfs/dbraw/zinc/41/43/05/415414305.db2.gz DCYHWVLWIMDEDE-UHFFFAOYSA-N -1 1 302.356 0.354 20 0 DCADMM COC(=O)c1c[n-]c(SCC(=O)NC(=O)NC(C)(C)C)n1 ZINC000274941638 415365982 /nfs/dbraw/zinc/36/59/82/415365982.db2.gz RBOQTQAJRFYELS-UHFFFAOYSA-N -1 1 314.367 0.913 20 0 DCADMM COc1cccc(S([O-])=CC(=O)N2CCCN(C)CC2)c1 ZINC000424527690 287306943 /nfs/dbraw/zinc/30/69/43/287306943.db2.gz DAKPCXMRBRPPFA-NRFANRHFSA-N -1 1 310.419 0.967 20 0 DCADMM CC(C)(NC(=O)CCc1cccc2c1OCO2)c1nn[n-]n1 ZINC000353384599 415528533 /nfs/dbraw/zinc/52/85/33/415528533.db2.gz SNQSQEFYTXFBOB-UHFFFAOYSA-N -1 1 303.322 0.913 20 0 DCADMM CC(C)(NC(=O)[C@H](CO)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000353470663 415557262 /nfs/dbraw/zinc/55/72/62/415557262.db2.gz JBENAGXSPNUKIA-SNVBAGLBSA-N -1 1 309.757 0.981 20 0 DCADMM CN(C)c1ccc(NC(=O)CNC(=O)c2ncccc2[O-])nc1 ZINC000343336409 415565142 /nfs/dbraw/zinc/56/51/42/415565142.db2.gz XFYTWPXTYBMLMZ-UHFFFAOYSA-N -1 1 315.333 0.617 20 0 DCADMM Cc1cc(C(=O)Nc2nncs2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000353660412 415615953 /nfs/dbraw/zinc/61/59/53/415615953.db2.gz SPHSEJDZNZGIKK-UHFFFAOYSA-N -1 1 304.291 0.848 20 0 DCADMM Cc1cc(C(=O)Nc2nncs2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000353660412 415615959 /nfs/dbraw/zinc/61/59/59/415615959.db2.gz SPHSEJDZNZGIKK-UHFFFAOYSA-N -1 1 304.291 0.848 20 0 DCADMM CSc1nc(C)c(CCC(=O)N(C)CCC(N)=O)c(=O)[n-]1 ZINC000343493464 415617482 /nfs/dbraw/zinc/61/74/82/415617482.db2.gz PKYQVCSDSXCTJT-UHFFFAOYSA-N -1 1 312.395 0.479 20 0 DCADMM CC(C)CC[C@@](C)(O)CNC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000353731872 415639498 /nfs/dbraw/zinc/63/94/98/415639498.db2.gz YLEPMCZLUCLMFS-CQSZACIVSA-N -1 1 307.354 0.335 20 0 DCADMM CN(C[C@@H]1CCCOC1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000343578212 415644696 /nfs/dbraw/zinc/64/46/96/415644696.db2.gz JWLRRNPFPDIANJ-NSHDSACASA-N -1 1 307.350 0.402 20 0 DCADMM CC[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])C[C@@H](C)O1 ZINC000343588791 415649328 /nfs/dbraw/zinc/64/93/28/415649328.db2.gz RXEVCWXSZRPBIY-GHMZBOCLSA-N -1 1 307.350 0.543 20 0 DCADMM Cc1nc(C[N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)no1 ZINC000333190326 415577514 /nfs/dbraw/zinc/57/75/14/415577514.db2.gz RXLZMZWWCGWZKK-QMMMGPOBSA-N -1 1 311.367 0.950 20 0 DCADMM CCn1cc(CNC(=O)CNC(=O)c2ncccc2[O-])cn1 ZINC000343406226 415589787 /nfs/dbraw/zinc/58/97/87/415589787.db2.gz QOOCWHBCXXOIDV-UHFFFAOYSA-N -1 1 303.322 0.050 20 0 DCADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](O)C2)o1 ZINC000353785157 415656667 /nfs/dbraw/zinc/65/66/67/415656667.db2.gz CFFGBGQSLWYQIQ-ZJUUUORDSA-N -1 1 317.363 0.896 20 0 DCADMM CCC(CC)[C@@H](O)CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000343632009 415661409 /nfs/dbraw/zinc/66/14/09/415661409.db2.gz YGJZUKMZLTVKHI-LBPRGKRZSA-N -1 1 309.366 0.430 20 0 DCADMM CCC(CC)(CNC(=O)c1cc(=O)n2[n-]cnc2n1)C(=O)OC ZINC000353868273 415681026 /nfs/dbraw/zinc/68/10/26/415681026.db2.gz PUWVCLALGGBBHK-UHFFFAOYSA-N -1 1 321.337 0.127 20 0 DCADMM COCc1nnc(S(=O)(=O)CC(=O)N2CCCCCC2)[n-]1 ZINC000353893230 415686086 /nfs/dbraw/zinc/68/60/86/415686086.db2.gz IRXMPKFBNMZMOI-UHFFFAOYSA-N -1 1 316.383 0.127 20 0 DCADMM COCc1nc(S(=O)(=O)CC(=O)N2CCCCCC2)n[n-]1 ZINC000353893230 415686091 /nfs/dbraw/zinc/68/60/91/415686091.db2.gz IRXMPKFBNMZMOI-UHFFFAOYSA-N -1 1 316.383 0.127 20 0 DCADMM COC[C@@H]([N-]S(=O)(=O)c1c(C)onc1N)[C@@H]1CCCO1 ZINC000289889944 415731989 /nfs/dbraw/zinc/73/19/89/415731989.db2.gz OZBMBAJFSRLYES-BDAKNGLRSA-N -1 1 305.356 0.038 20 0 DCADMM CCC[C@H](NC(=O)c1ccc(S(C)(=O)=O)o1)c1nn[n-]n1 ZINC000343726253 415697857 /nfs/dbraw/zinc/69/78/57/415697857.db2.gz LDMYCEMFYSULNG-ZETCQYMHSA-N -1 1 313.339 0.467 20 0 DCADMM CS(=O)(=O)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000124046329 415846669 /nfs/dbraw/zinc/84/66/69/415846669.db2.gz GPPLGTOWCTZZAB-UHFFFAOYSA-N -1 1 302.327 0.249 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCOC2(CCC2)C1 ZINC000344139565 415847846 /nfs/dbraw/zinc/84/78/46/415847846.db2.gz KKNPSFBKSCPRHC-LLVKDONJSA-N -1 1 319.361 0.735 20 0 DCADMM Cc1cc(C[C@H](C)NC(=O)CNC(=O)c2ncccc2[O-])[nH]n1 ZINC000344137360 415847932 /nfs/dbraw/zinc/84/79/32/415847932.db2.gz FEPKMBIDYWOKQQ-VIFPVBQESA-N -1 1 317.349 0.296 20 0 DCADMM Cc1cc(C[C@H](C)NC(=O)CNC(=O)c2ncccc2[O-])n[nH]1 ZINC000344137360 415847943 /nfs/dbraw/zinc/84/79/43/415847943.db2.gz FEPKMBIDYWOKQQ-VIFPVBQESA-N -1 1 317.349 0.296 20 0 DCADMM CCc1nc(CNS(=O)(=O)c2ccccc2C(=O)OC)n[nH]1 ZINC000297170555 415956279 /nfs/dbraw/zinc/95/62/79/415956279.db2.gz SHPVOEDEGKCJRA-UHFFFAOYSA-N -1 1 324.362 0.632 20 0 DCADMM CCN(CCOCCO)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000337546952 415975888 /nfs/dbraw/zinc/97/58/88/415975888.db2.gz PBKCYHJUSZDPCB-UHFFFAOYSA-N -1 1 308.338 0.145 20 0 DCADMM COC(=O)N(C)CCCC(=O)Nc1nn[nH]c1C(=O)NC1CC1 ZINC000297810486 415976343 /nfs/dbraw/zinc/97/63/43/415976343.db2.gz TXQOCRQPZLBYPQ-UHFFFAOYSA-N -1 1 324.341 0.114 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2cscn2)o1 ZINC000171961183 416042612 /nfs/dbraw/zinc/04/26/12/416042612.db2.gz UPNBXBBVXUZPOE-UHFFFAOYSA-N -1 1 315.376 0.617 20 0 DCADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@](C)(O)C(C)C)c1 ZINC000338215441 416060062 /nfs/dbraw/zinc/06/00/62/416060062.db2.gz XGOXMJYDTKATIS-GFCCVEGCSA-N -1 1 305.352 0.752 20 0 DCADMM COC(=O)[C@@H]1CCCCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000357380973 416070536 /nfs/dbraw/zinc/07/05/36/416070536.db2.gz OXCFPMLENKSLNK-ZETCQYMHSA-N -1 1 311.294 0.064 20 0 DCADMM Cn1cc([C@H]2OCCC[C@@H]2Nc2nc3[nH][n-]cc-3c(=O)n2)cn1 ZINC000337877594 416017883 /nfs/dbraw/zinc/01/78/83/416017883.db2.gz RNNDQKDNWWZEFQ-WDEREUQCSA-N -1 1 315.337 0.498 20 0 DCADMM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000337904170 416019722 /nfs/dbraw/zinc/01/97/22/416019722.db2.gz LTMJVFVWDVDDSW-ABAIWWIYSA-N -1 1 321.377 0.694 20 0 DCADMM Cc1nc(C)c(CNC(=O)CNC(=O)c2ncccc2[O-])s1 ZINC000337921398 416021895 /nfs/dbraw/zinc/02/18/95/416021895.db2.gz ZQOYOLXWBYPESR-UHFFFAOYSA-N -1 1 320.374 0.907 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@@H]2COCC[C@@H]21 ZINC000344998610 416023991 /nfs/dbraw/zinc/02/39/91/416023991.db2.gz BRWAYGKEARNWQU-NEPJUHHUSA-N -1 1 319.361 0.545 20 0 DCADMM NC(=O)c1cccc(NC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000337949642 416025432 /nfs/dbraw/zinc/02/54/32/416025432.db2.gz SWOKMCSBCBIAPD-UHFFFAOYSA-N -1 1 314.301 0.255 20 0 DCADMM Cc1nc(CN(C)C(=O)CNC(=O)c2ncccc2[O-])cs1 ZINC000337943829 416026295 /nfs/dbraw/zinc/02/62/95/416026295.db2.gz XAPYQEQITDBDTF-UHFFFAOYSA-N -1 1 320.374 0.941 20 0 DCADMM Cc1cnccc1CCNC(=O)CNC(=O)c1ncccc1[O-] ZINC000345012670 416026920 /nfs/dbraw/zinc/02/69/20/416026920.db2.gz ONEZKDKMEHMTHW-UHFFFAOYSA-N -1 1 314.345 0.579 20 0 DCADMM Cn1[n-]c(CN2CCN(c3cncc4ccccc43)CC2)nc1=O ZINC000338538452 416108023 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CC(C)(CCCO)CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000357882332 416147179 /nfs/dbraw/zinc/14/71/79/416147179.db2.gz SONDMWFWQMNSAA-UHFFFAOYSA-N -1 1 309.366 0.432 20 0 DCADMM O=S(=O)([N-]CCNc1cnccn1)c1sccc1F ZINC000338871731 416147943 /nfs/dbraw/zinc/14/79/43/416147943.db2.gz ICMUFSVWLDJTQY-UHFFFAOYSA-N -1 1 302.356 1.068 20 0 DCADMM CNC(=O)[C@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C(C)C ZINC000178589772 416166899 /nfs/dbraw/zinc/16/68/99/416166899.db2.gz XPGMIZUKOQNORU-LLVKDONJSA-N -1 1 322.409 0.876 20 0 DCADMM CCN(C[C@@H]1CCCO1)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000179348318 416184663 /nfs/dbraw/zinc/18/46/63/416184663.db2.gz CDPFSBIEKWVZER-NSHDSACASA-N -1 1 316.379 0.829 20 0 DCADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H]1CCC(=O)N(C)C1)c2=O ZINC000179510379 416189267 /nfs/dbraw/zinc/18/92/67/416189267.db2.gz TZNIQYQNVVYMJM-QMMMGPOBSA-N -1 1 303.322 0.025 20 0 DCADMM Cc1n[nH]c(C)c1NC(=O)CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000358333274 416223691 /nfs/dbraw/zinc/22/36/91/416223691.db2.gz 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OC[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000823714152 606109348 /nfs/dbraw/zinc/10/93/48/606109348.db2.gz KRBBDAJRNMEFSW-JTQLQIEISA-N -1 1 312.333 0.612 20 0 DCADMM CCCC[C@@H](COC)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821043713 606165212 /nfs/dbraw/zinc/16/52/12/606165212.db2.gz TUFDMMMZUGFCRQ-VIFPVBQESA-N -1 1 322.373 0.927 20 0 DCADMM CCCC[C@@H](COC)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821043713 606165213 /nfs/dbraw/zinc/16/52/13/606165213.db2.gz TUFDMMMZUGFCRQ-VIFPVBQESA-N -1 1 322.373 0.927 20 0 DCADMM CC(C)C[C@@H](O)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820062164 606169138 /nfs/dbraw/zinc/16/91/38/606169138.db2.gz ILNIYCCDEBMZSA-MRVPVSSYSA-N -1 1 308.346 0.129 20 0 DCADMM CC(C)C[C@@H](O)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820062164 606169139 /nfs/dbraw/zinc/16/91/39/606169139.db2.gz ILNIYCCDEBMZSA-MRVPVSSYSA-N -1 1 308.346 0.129 20 0 DCADMM CC(C)CCOCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820076341 606171920 /nfs/dbraw/zinc/17/19/20/606171920.db2.gz HOARNYCKKCNIKH-UHFFFAOYSA-N -1 1 322.373 0.784 20 0 DCADMM CC(C)CCOCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820076341 606171921 /nfs/dbraw/zinc/17/19/21/606171921.db2.gz HOARNYCKKCNIKH-UHFFFAOYSA-N -1 1 322.373 0.784 20 0 DCADMM O=C(OCCNc1ncccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823404596 606177518 /nfs/dbraw/zinc/17/75/18/606177518.db2.gz BMRCPCHEPVUSRD-UHFFFAOYSA-N -1 1 317.334 0.987 20 0 DCADMM O=C(OCCNc1ncccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823404596 606177519 /nfs/dbraw/zinc/17/75/19/606177519.db2.gz BMRCPCHEPVUSRD-UHFFFAOYSA-N -1 1 317.334 0.987 20 0 DCADMM C[C@@H](Cn1cccn1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820306816 606524245 /nfs/dbraw/zinc/52/42/45/606524245.db2.gz FZESPOPVLPISTG-QMMMGPOBSA-N -1 1 303.351 0.943 20 0 DCADMM C[C@@H](Cn1cccn1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820306816 606524247 /nfs/dbraw/zinc/52/42/47/606524247.db2.gz FZESPOPVLPISTG-QMMMGPOBSA-N -1 1 303.351 0.943 20 0 DCADMM CNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821631446 606558538 /nfs/dbraw/zinc/55/85/38/606558538.db2.gz JHOKMNZXAMZSRX-QMMMGPOBSA-N -1 1 320.378 0.526 20 0 DCADMM CNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821631446 606558539 /nfs/dbraw/zinc/55/85/39/606558539.db2.gz JHOKMNZXAMZSRX-QMMMGPOBSA-N -1 1 320.378 0.526 20 0 DCADMM NC(=O)C1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC000822859586 606562545 /nfs/dbraw/zinc/56/25/45/606562545.db2.gz HDBQAGWHHNEDCE-UHFFFAOYSA-N -1 1 306.351 0.456 20 0 DCADMM NC(=O)C1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC000822859586 606562547 /nfs/dbraw/zinc/56/25/47/606562547.db2.gz HDBQAGWHHNEDCE-UHFFFAOYSA-N -1 1 306.351 0.456 20 0 DCADMM O=C(NCC[C@H](O)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823181932 606567329 /nfs/dbraw/zinc/56/73/29/606567329.db2.gz FZLQIJFZYNXUDU-ZETCQYMHSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(NCC[C@H](O)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823181932 606567330 /nfs/dbraw/zinc/56/73/30/606567330.db2.gz FZLQIJFZYNXUDU-ZETCQYMHSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(CCN1CCCC1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822964600 606648080 /nfs/dbraw/zinc/64/80/80/606648080.db2.gz LJMHRDYRFGDGLR-UHFFFAOYSA-N -1 1 316.321 0.317 20 0 DCADMM O=C(CCN1CCCC1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822964600 606648081 /nfs/dbraw/zinc/64/80/81/606648081.db2.gz LJMHRDYRFGDGLR-UHFFFAOYSA-N -1 1 316.321 0.317 20 0 DCADMM COC(=O)C(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821638708 606817152 /nfs/dbraw/zinc/81/71/52/606817152.db2.gz GFJBRXVNSLZIIX-UHFFFAOYSA-N -1 1 304.310 0.191 20 0 DCADMM COC(=O)C(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821638708 606817154 /nfs/dbraw/zinc/81/71/54/606817154.db2.gz GFJBRXVNSLZIIX-UHFFFAOYSA-N -1 1 304.310 0.191 20 0 DCADMM CC(C)Oc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)ccn1 ZINC000820151267 607142013 /nfs/dbraw/zinc/14/20/13/607142013.db2.gz FLDFOFBNPXDLRA-UHFFFAOYSA-N -1 1 314.309 0.516 20 0 DCADMM Cc1cc2c[nH]nc2cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822212697 607213402 /nfs/dbraw/zinc/21/34/02/607213402.db2.gz CSLPQBUPSSHFED-UHFFFAOYSA-N -1 1 324.308 0.282 20 0 DCADMM CC(C)[C@H]1CCCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820039435 607213994 /nfs/dbraw/zinc/21/39/94/607213994.db2.gz WKYRKDYRNVSSRF-GHMZBOCLSA-N -1 1 318.385 0.789 20 0 DCADMM CC(C)[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820037782 607217730 /nfs/dbraw/zinc/21/77/30/607217730.db2.gz HUYJSSMEBAMOMD-JTQLQIEISA-N -1 1 304.358 0.495 20 0 DCADMM CCc1ccccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821492364 607218837 /nfs/dbraw/zinc/21/88/37/607218837.db2.gz NJWNVZWTPYAYAD-UHFFFAOYSA-N -1 1 312.337 0.337 20 0 DCADMM CCS[C@H]1CCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821456079 607221371 /nfs/dbraw/zinc/22/13/71/607221371.db2.gz NBODDMMJYKNKER-IUCAKERBSA-N -1 1 322.398 0.249 20 0 DCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(O)c1 ZINC000820333392 607231394 /nfs/dbraw/zinc/23/13/94/607231394.db2.gz ANZMGUFPDIEBNL-MRVPVSSYSA-N -1 1 314.309 0.041 20 0 DCADMM CC(C)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC000824158404 607802970 /nfs/dbraw/zinc/80/29/70/607802970.db2.gz VYFFYSHIVBIDOK-UHFFFAOYSA-N -1 1 318.385 0.791 20 0 DCADMM CCC(CC)(CO)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825089722 607808838 /nfs/dbraw/zinc/80/88/38/607808838.db2.gz LVYUZRUPJQQTDN-UHFFFAOYSA-N -1 1 304.354 0.790 20 0 DCADMM O[C@]1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCOC1 ZINC000826506038 607851370 /nfs/dbraw/zinc/85/13/70/607851370.db2.gz LOSDMHFTQBALQD-HNNXBMFYSA-N -1 1 312.333 0.978 20 0 DCADMM O[C@]1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCOC1 ZINC000826506038 607851371 /nfs/dbraw/zinc/85/13/71/607851371.db2.gz LOSDMHFTQBALQD-HNNXBMFYSA-N -1 1 312.333 0.978 20 0 DCADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC[C@H]1CCCO1 ZINC000826418361 607863750 /nfs/dbraw/zinc/86/37/50/607863750.db2.gz CFNAXJPYCCOFNU-SECBINFHSA-N -1 1 321.312 0.680 20 0 DCADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC[C@H]1CCCO1 ZINC000826418361 607863751 /nfs/dbraw/zinc/86/37/51/607863751.db2.gz CFNAXJPYCCOFNU-SECBINFHSA-N -1 1 321.312 0.680 20 0 DCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCCO2)n1 ZINC000819971868 607926829 /nfs/dbraw/zinc/92/68/29/607926829.db2.gz VFQVECCOMSWPFP-SECBINFHSA-N -1 1 305.342 0.936 20 0 DCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCCO2)n1 ZINC000819971868 607926830 /nfs/dbraw/zinc/92/68/30/607926830.db2.gz VFQVECCOMSWPFP-SECBINFHSA-N -1 1 305.342 0.936 20 0 DCADMM NC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n[nH]1 ZINC000826392799 607961759 /nfs/dbraw/zinc/96/17/59/607961759.db2.gz NNPXGLQRWKJDMP-UHFFFAOYSA-N -1 1 304.295 0.003 20 0 DCADMM NC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n[nH]1 ZINC000826392799 607961760 /nfs/dbraw/zinc/96/17/60/607961760.db2.gz NNPXGLQRWKJDMP-UHFFFAOYSA-N -1 1 304.295 0.003 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1NCCCOC[C@H]1CCCO1 ZINC000826515472 607988512 /nfs/dbraw/zinc/98/85/12/607988512.db2.gz ZRKPOHHGKYTHOL-SNVBAGLBSA-N -1 1 305.342 0.654 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1NCCCOC[C@H]1CCCO1 ZINC000826515472 607988513 /nfs/dbraw/zinc/98/85/13/607988513.db2.gz ZRKPOHHGKYTHOL-SNVBAGLBSA-N -1 1 305.342 0.654 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1NCCCOC[C@@H]1CCCO1 ZINC000826515471 607988742 /nfs/dbraw/zinc/98/87/42/607988742.db2.gz ZRKPOHHGKYTHOL-JTQLQIEISA-N -1 1 305.342 0.654 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1NCCCOC[C@@H]1CCCO1 ZINC000826515471 607988743 /nfs/dbraw/zinc/98/87/43/607988743.db2.gz ZRKPOHHGKYTHOL-JTQLQIEISA-N -1 1 305.342 0.654 20 0 DCADMM c1nn(C[C@@H]2CCCO2)cc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826526825 607989485 /nfs/dbraw/zinc/98/94/85/607989485.db2.gz NXRUZCLLCQNZEE-JTQLQIEISA-N -1 1 313.325 0.776 20 0 DCADMM c1nn(C[C@@H]2CCCO2)cc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826526825 607989486 /nfs/dbraw/zinc/98/94/86/607989486.db2.gz NXRUZCLLCQNZEE-JTQLQIEISA-N -1 1 313.325 0.776 20 0 DCADMM CN(Cc1ccc(F)cc1)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825966326 608013485 /nfs/dbraw/zinc/01/34/85/608013485.db2.gz YCQKYCMJTATHSC-UHFFFAOYSA-N -1 1 315.312 0.861 20 0 DCADMM CN(Cc1ccc(F)cc1)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825966326 608013486 /nfs/dbraw/zinc/01/34/86/608013486.db2.gz YCQKYCMJTATHSC-UHFFFAOYSA-N -1 1 315.312 0.861 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(F)ccc2F)c1=O ZINC000826357144 608096270 /nfs/dbraw/zinc/09/62/70/608096270.db2.gz SVEGNICWGIPAJY-UHFFFAOYSA-N -1 1 320.259 0.054 20 0 DCADMM NC(=O)N[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826391989 608099921 /nfs/dbraw/zinc/09/99/21/608099921.db2.gz KBFMAXSEJUACBU-LURJTMIESA-N -1 1 308.733 0.162 20 0 DCADMM NC(=O)N[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826391989 608099922 /nfs/dbraw/zinc/09/99/22/608099922.db2.gz KBFMAXSEJUACBU-LURJTMIESA-N -1 1 308.733 0.162 20 0 DCADMM c1coc(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826525897 608395061 /nfs/dbraw/zinc/39/50/61/608395061.db2.gz CZTFBSLFRGCFTN-UHFFFAOYSA-N -1 1 312.337 0.572 20 0 DCADMM Cc1cccc(C(=O)NCCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826295964 608403448 /nfs/dbraw/zinc/40/34/48/608403448.db2.gz FIIJMESOPVPYHR-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1cccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826295964 608403449 /nfs/dbraw/zinc/40/34/49/608403449.db2.gz FIIJMESOPVPYHR-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC000826502365 608405806 /nfs/dbraw/zinc/40/58/06/608405806.db2.gz BQUVJUBWGTWUFR-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC000826502365 608405807 /nfs/dbraw/zinc/40/58/07/608405807.db2.gz BQUVJUBWGTWUFR-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1NCCCOCC1CCOCC1 ZINC000826514911 608424199 /nfs/dbraw/zinc/42/41/99/608424199.db2.gz HESOPHZTQHFWDB-UHFFFAOYSA-N -1 1 319.369 0.902 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1NCCCOCC1CCOCC1 ZINC000826514911 608424201 /nfs/dbraw/zinc/42/42/01/608424201.db2.gz HESOPHZTQHFWDB-UHFFFAOYSA-N -1 1 319.369 0.902 20 0 DCADMM CC(C)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824185420 608489883 /nfs/dbraw/zinc/48/98/83/608489883.db2.gz ZFTMETJAQSQUDK-UHFFFAOYSA-N -1 1 317.353 0.106 20 0 DCADMM CC(C)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824185420 608489884 /nfs/dbraw/zinc/48/98/84/608489884.db2.gz ZFTMETJAQSQUDK-UHFFFAOYSA-N -1 1 317.353 0.106 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2c(c1)COC2 ZINC000826425871 608607265 /nfs/dbraw/zinc/60/72/65/608607265.db2.gz XKQLZCPTNPLQRP-UHFFFAOYSA-N -1 1 312.293 0.127 20 0 DCADMM NC(=O)CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccccc1 ZINC000826391730 608699029 /nfs/dbraw/zinc/69/90/29/608699029.db2.gz ZLGVXTCHEGKWMP-UHFFFAOYSA-N -1 1 312.333 0.947 20 0 DCADMM NC(=O)CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccccc1 ZINC000826391730 608699032 /nfs/dbraw/zinc/69/90/32/608699032.db2.gz ZLGVXTCHEGKWMP-UHFFFAOYSA-N -1 1 312.333 0.947 20 0 DCADMM CC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000823994521 608703495 /nfs/dbraw/zinc/70/34/95/608703495.db2.gz JVAYNQWVJXBDTC-SNVBAGLBSA-N -1 1 322.394 0.265 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC[C@H]2CCCCO2)n1 ZINC000826356749 609158720 /nfs/dbraw/zinc/15/87/20/609158720.db2.gz DNIZTGSRWNARPV-SECBINFHSA-N -1 1 320.357 0.681 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC[C@H]2CCCCO2)n1 ZINC000826356749 609158721 /nfs/dbraw/zinc/15/87/21/609158721.db2.gz DNIZTGSRWNARPV-SECBINFHSA-N -1 1 320.357 0.681 20 0 DCADMM c1cn(CCCNc2c3ccccc3nnc2-c2nnn[n-]2)nn1 ZINC000826523589 609599876 /nfs/dbraw/zinc/59/98/76/609599876.db2.gz QVYKKCRQANPJII-UHFFFAOYSA-N -1 1 322.336 0.904 20 0 DCADMM c1cn(CCCNc2c3ccccc3nnc2-c2nn[n-]n2)nn1 ZINC000826523589 609599878 /nfs/dbraw/zinc/59/98/78/609599878.db2.gz QVYKKCRQANPJII-UHFFFAOYSA-N -1 1 322.336 0.904 20 0 DCADMM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCO2)C1)c1ncccc1[O-] ZINC000978578576 660564419 /nfs/dbraw/zinc/56/44/19/660564419.db2.gz RKRBHPAWSWBXJG-LOWVWBTDSA-N -1 1 319.361 0.591 20 0 DCADMM O=C(NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccn[nH]1 ZINC000978606020 660568690 /nfs/dbraw/zinc/56/86/90/660568690.db2.gz VJHFGOXUCHACEV-AOOOYVTPSA-N -1 1 315.333 0.449 20 0 DCADMM CC1(C(=O)N2C[C@@H]3CC[C@H](NC(=O)c4cnn[nH]4)[C@@H]3C2)CC1 ZINC000979840659 660826813 /nfs/dbraw/zinc/82/68/13/660826813.db2.gz NEKATAOXGQQTLW-AXFHLTTASA-N -1 1 303.366 0.572 20 0 DCADMM 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670276266 /nfs/dbraw/zinc/27/62/66/670276266.db2.gz DBDJZOAEUQWUBP-JTQLQIEISA-N -1 1 316.317 0.810 20 0 DCADMM Cc1cccc(CCCNC(=O)CCn2cc[n-]c(=O)c2=O)n1 ZINC000804145036 670286341 /nfs/dbraw/zinc/28/63/41/670286341.db2.gz VFOZHGXSNGXNGV-UHFFFAOYSA-N -1 1 316.361 0.379 20 0 DCADMM COc1cc(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)nn1C ZINC000806481641 670314921 /nfs/dbraw/zinc/31/49/21/670314921.db2.gz GMBSXVQOZMFMGN-UHFFFAOYSA-N -1 1 301.310 0.728 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)NCCCc3nnc[nH]3)ccnc1-2 ZINC000806482816 670315744 /nfs/dbraw/zinc/31/57/44/670315744.db2.gz UOXOLPXOKFZZJM-UHFFFAOYSA-N -1 1 300.326 0.214 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)NCCC(=O)NC(C)(C)C)ccnc1-2 ZINC000806492483 670317301 /nfs/dbraw/zinc/31/73/01/670317301.db2.gz HLHQVSZILRLZDR-UHFFFAOYSA-N -1 1 318.381 0.768 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)NC[C@@H](CO)[C@@H]3CCOC3)ccnc1-2 ZINC000806494080 670318038 /nfs/dbraw/zinc/31/80/38/670318038.db2.gz CBAQMDHPQJAVGA-MNOVXSKESA-N -1 1 319.365 0.108 20 0 DCADMM CC[C@H]1CCCN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806883710 670334189 /nfs/dbraw/zinc/33/41/89/670334189.db2.gz LQROLGSNTIKBQK-JTQLQIEISA-N -1 1 301.350 0.681 20 0 DCADMM C[C@@H](CCC1CC1)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806981979 670340103 /nfs/dbraw/zinc/34/01/03/670340103.db2.gz BPFJQUOJEVLSJW-JTQLQIEISA-N -1 1 315.377 0.975 20 0 DCADMM O=C(NC[C@H]1CCN1C(=O)c1ncc[nH]1)c1ncccc1[O-] ZINC000949534911 670364417 /nfs/dbraw/zinc/36/44/17/670364417.db2.gz JCBLJYXREPVHOI-SECBINFHSA-N -1 1 301.306 0.155 20 0 DCADMM O=C(NC[C@H]1CCN1C(=O)[C@H]1CC1(F)F)c1ncccc1[O-] ZINC000949535376 670364431 /nfs/dbraw/zinc/36/44/31/670364431.db2.gz SXTCRUNJUKMGGW-RKDXNWHRSA-N -1 1 311.288 0.773 20 0 DCADMM O=C(NC[C@@H]1CCN1C(=O)[C@@H]1CCCCO1)c1ncccc1[O-] ZINC000949535163 670364569 /nfs/dbraw/zinc/36/45/69/670364569.db2.gz OSQDVQWLBVUURR-AAEUAGOBSA-N -1 1 319.361 0.687 20 0 DCADMM Cc1cnoc1C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000949537931 670365491 /nfs/dbraw/zinc/36/54/91/670365491.db2.gz CMOFPKYEGNAGJR-JTQLQIEISA-N -1 1 316.317 0.728 20 0 DCADMM CCN(C(=O)c1ccccc1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000949591322 670378693 /nfs/dbraw/zinc/37/86/93/670378693.db2.gz OJFMNWGCXFDEBK-UHFFFAOYSA-N -1 1 315.377 0.455 20 0 DCADMM CC1CC(CN2CCN(C(=O)c3cnc([O-])n(C)c3=O)CC2)C1 ZINC000949609712 670384041 /nfs/dbraw/zinc/38/40/41/670384041.db2.gz IUTJGJSJPZNUOC-UHFFFAOYSA-N -1 1 320.393 0.290 20 0 DCADMM Cc1c[nH]nc1C(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC000949847793 670447701 /nfs/dbraw/zinc/44/77/01/670447701.db2.gz FVVWUENIYYJXBN-SNVBAGLBSA-N -1 1 315.333 0.463 20 0 DCADMM CSCCO[N-]C(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000809362996 670449757 /nfs/dbraw/zinc/44/97/57/670449757.db2.gz NCYRQGXPOHSZNY-VHSXEESVSA-N -1 1 301.412 0.139 20 0 DCADMM CCN(C(=O)c1ncccc1[O-])C1CN(Cc2cnsn2)C1 ZINC000949948737 670468720 /nfs/dbraw/zinc/46/87/20/670468720.db2.gz XUNCBXIGWVYEBU-UHFFFAOYSA-N -1 1 319.390 0.985 20 0 DCADMM CCNS(=O)(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810088882 670475203 /nfs/dbraw/zinc/47/52/03/670475203.db2.gz XBHHMQKRCHHTJR-QMMMGPOBSA-N -1 1 317.333 0.231 20 0 DCADMM O=C(NC[C@H]1CCN1C(=O)C1CC1)c1cnc(C2CC2)[n-]c1=O ZINC000950037579 670486058 /nfs/dbraw/zinc/48/60/58/670486058.db2.gz MIPZSDDILCOKMX-LLVKDONJSA-N -1 1 316.361 0.800 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)OC2(C(=O)OC)CC2)co1 ZINC000810757198 670495805 /nfs/dbraw/zinc/49/58/05/670495805.db2.gz IIBICBWQBFVVLE-UHFFFAOYSA-N -1 1 303.292 0.050 20 0 DCADMM Cn1[n-]c(COC(=O)[C@H](O)c2ccc(Cl)cc2F)nc1=O ZINC000811371382 670528410 /nfs/dbraw/zinc/52/84/10/670528410.db2.gz WTPWXPVUHJGIBS-SNVBAGLBSA-N -1 1 315.688 0.678 20 0 DCADMM CC(C)(C)OC(=O)N(CCC(=O)NCc1nn[n-]n1)C1CC1 ZINC000847483573 670561255 /nfs/dbraw/zinc/56/12/55/670561255.db2.gz MCPZCGMMZMFMJT-UHFFFAOYSA-N -1 1 310.358 0.606 20 0 DCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H](C)OC)c1 ZINC000812363312 670578160 /nfs/dbraw/zinc/57/81/60/670578160.db2.gz YGMKXQFWSBPNOQ-QMMMGPOBSA-N -1 1 302.352 0.664 20 0 DCADMM CCn1ncn(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1=O ZINC000854630332 670602611 /nfs/dbraw/zinc/60/26/11/670602611.db2.gz BPHBQIGZGLHYQU-UHFFFAOYSA-N -1 1 312.713 0.816 20 0 DCADMM Cn1cnnc1CCCNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000848110289 670635527 /nfs/dbraw/zinc/63/55/27/670635527.db2.gz CKQJAHBIOFSGGT-UHFFFAOYSA-N -1 1 317.378 0.509 20 0 DCADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000813840835 670656212 /nfs/dbraw/zinc/65/62/12/670656212.db2.gz SSQMQXBBQMJTLB-JTQLQIEISA-N -1 1 306.366 0.952 20 0 DCADMM Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc2cncn2c1 ZINC000813991853 670670319 /nfs/dbraw/zinc/67/03/19/670670319.db2.gz KJUYUKFRSWJFNU-UHFFFAOYSA-N -1 1 319.346 0.495 20 0 DCADMM O=C(C(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc([O-])cc1 ZINC000855501745 670722229 /nfs/dbraw/zinc/72/22/29/670722229.db2.gz ZXWXEUCCYRSKNM-LLVKDONJSA-N -1 1 304.302 0.628 20 0 DCADMM CC(C)(C)c1n[nH]cc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000815518979 670745514 /nfs/dbraw/zinc/74/55/14/670745514.db2.gz IBZAPCJRMKXDMW-SECBINFHSA-N -1 1 305.342 0.434 20 0 DCADMM CCn1nc(C)c(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1C ZINC000815519541 670746706 /nfs/dbraw/zinc/74/67/06/670746706.db2.gz AMLJCVZLJIMPEP-LBPRGKRZSA-N -1 1 319.369 0.176 20 0 DCADMM CN(C)C(=O)OCC[N-]S(=O)(=O)c1cccc(F)c1F ZINC000849446046 670800476 /nfs/dbraw/zinc/80/04/76/670800476.db2.gz LHRCGLSWOAPSEQ-UHFFFAOYSA-N -1 1 308.306 0.941 20 0 DCADMM COC(=O)c1coc(S(=O)(=O)[N-]CCN(C)C(=O)OC)c1 ZINC000849471246 670807633 /nfs/dbraw/zinc/80/76/33/670807633.db2.gz BDSPXTWLCMJRIO-UHFFFAOYSA-N -1 1 320.323 0.043 20 0 DCADMM C[C@@H]1CCN(C(=O)C2CC(=O)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856418146 670817551 /nfs/dbraw/zinc/81/75/51/670817551.db2.gz UKXNHVRVNGXFDQ-XCBNKYQSSA-N -1 1 306.284 0.881 20 0 DCADMM CC(=O)N1CC[C@@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000856864554 670860675 /nfs/dbraw/zinc/86/06/75/670860675.db2.gz WYECQIZCTPGZJM-SNVBAGLBSA-N -1 1 302.338 0.084 20 0 DCADMM CO[C@@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)[C@H]1CCOC1 ZINC000849864614 670860939 /nfs/dbraw/zinc/86/09/39/670860939.db2.gz GFWBWWXZMWNVFK-DTWKUNHWSA-N -1 1 313.272 0.650 20 0 DCADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H]1C(=O)OCC1(C)C ZINC000817140970 670900399 /nfs/dbraw/zinc/90/03/99/670900399.db2.gz CSMJQNJHRYAJCC-GHMZBOCLSA-N -1 1 307.412 0.919 20 0 DCADMM Cc1ccnc(C[N-]S(=O)(=O)c2ncn(C)c2Cl)n1 ZINC000857251955 670901662 /nfs/dbraw/zinc/90/16/62/670901662.db2.gz HYBOOWJKRAKPEN-UHFFFAOYSA-N -1 1 301.759 0.650 20 0 DCADMM CON(C)C(=O)CNC(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000817770498 670936208 /nfs/dbraw/zinc/93/62/08/670936208.db2.gz VTDMPFMGGHNIIW-UHFFFAOYSA-N -1 1 304.306 0.393 20 0 DCADMM CON(C)C(=O)CNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000817770498 670936212 /nfs/dbraw/zinc/93/62/12/670936212.db2.gz VTDMPFMGGHNIIW-UHFFFAOYSA-N -1 1 304.306 0.393 20 0 DCADMM CO[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)C1 ZINC000851105153 670968179 /nfs/dbraw/zinc/96/81/79/670968179.db2.gz OIUNGKBEYUSECE-VXGBXAGGSA-N -1 1 318.439 0.732 20 0 DCADMM CC(C)NC(=O)CN1CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858322513 670993553 /nfs/dbraw/zinc/99/35/53/670993553.db2.gz YLDDRHJIWHESKO-UHFFFAOYSA-N -1 1 313.789 0.482 20 0 DCADMM CS(=O)(=O)NC[C@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858345930 670995108 /nfs/dbraw/zinc/99/51/08/670995108.db2.gz CQAJQDOQFLCIMP-MRVPVSSYSA-N -1 1 320.802 0.744 20 0 DCADMM O=C(NN1CC(=O)[N-]C1=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000858542244 671014262 /nfs/dbraw/zinc/01/42/62/671014262.db2.gz JVOUPSKHBORTEW-MVWJERBFSA-N -1 1 305.721 0.809 20 0 DCADMM O=C(Nc1nnn[n-]1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000818500014 671024489 /nfs/dbraw/zinc/02/44/89/671024489.db2.gz ZWGOKNPQWLMMNY-UHFFFAOYSA-N -1 1 303.250 0.448 20 0 DCADMM O=C(Nc1nn[n-]n1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000818500014 671024494 /nfs/dbraw/zinc/02/44/94/671024494.db2.gz ZWGOKNPQWLMMNY-UHFFFAOYSA-N -1 1 303.250 0.448 20 0 DCADMM CC[S@](=O)CC[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000851761337 671028045 /nfs/dbraw/zinc/02/80/45/671028045.db2.gz XDIOVFVZTJPBBC-IBGZPJMESA-N -1 1 323.392 0.422 20 0 DCADMM CCc1cc(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])[nH]n1 ZINC000818656348 671041715 /nfs/dbraw/zinc/04/17/15/671041715.db2.gz CITPGNCYQQELMU-UHFFFAOYSA-N -1 1 310.354 0.205 20 0 DCADMM CC(C)[C@]1(CO)CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000819036280 671087639 /nfs/dbraw/zinc/08/76/39/671087639.db2.gz CLKXXWWFACUZOM-MRXNPFEDSA-N -1 1 323.393 0.184 20 0 DCADMM C[C@@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccncc1 ZINC000859278707 671091183 /nfs/dbraw/zinc/09/11/83/671091183.db2.gz UCLWTDOOFXMADP-JQWIXIFHSA-N -1 1 302.338 0.688 20 0 DCADMM COC(=O)[C@@](C)(CO)NCc1cc(=O)oc2cc([O-])ccc12 ZINC000852158319 671097807 /nfs/dbraw/zinc/09/78/07/671097807.db2.gz VKVVXXPTKPTJHZ-OAHLLOKOSA-N -1 1 307.302 0.512 20 0 DCADMM O=C(C=Cc1cccc(O)c1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000819613522 671129831 /nfs/dbraw/zinc/12/98/31/671129831.db2.gz BJFIRGWDSFGEOL-SNAWJCMRSA-N -1 1 315.333 0.429 20 0 DCADMM Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)NC2CC2)c(F)c1 ZINC000819845026 671141726 /nfs/dbraw/zinc/14/17/26/671141726.db2.gz STTMXNKFCNBTPM-UHFFFAOYSA-N -1 1 304.318 0.830 20 0 DCADMM CCn1nc(C)c(C[N-]S(=O)(=O)c2c[nH]nc2Cl)n1 ZINC000819890975 671144502 /nfs/dbraw/zinc/14/45/02/671144502.db2.gz OLUPTDVJFQSWBC-UHFFFAOYSA-N -1 1 304.763 0.461 20 0 DCADMM CCn1nc(C)c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)n1 ZINC000819969411 671149896 /nfs/dbraw/zinc/14/98/96/671149896.db2.gz WFSRGPDCPSUOCT-VIFPVBQESA-N -1 1 306.326 0.715 20 0 DCADMM C[C@@H]1CCN(CC[S@](C)=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756296 671157131 /nfs/dbraw/zinc/15/71/31/671157131.db2.gz CMJRJRVDDNQGIK-MGOSUKFUSA-N -1 1 300.346 0.754 20 0 DCADMM C[C@@H](c1nnnn1C)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757561 671158109 /nfs/dbraw/zinc/15/81/09/671158109.db2.gz VRIWUYQKRRJBHP-VGMNWLOBSA-N -1 1 320.319 0.660 20 0 DCADMM C[C@@H]1CCN([C@@H]2CCCNC2=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757072 671158410 /nfs/dbraw/zinc/15/84/10/671158410.db2.gz IXIFMFWYQGABCT-KXUCPTDWSA-N -1 1 307.316 0.654 20 0 DCADMM Cc1[nH]c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(C)c1C=O ZINC000860349521 671200950 /nfs/dbraw/zinc/20/09/50/671200950.db2.gz NTVPFAJJMJOPNR-JTQLQIEISA-N -1 1 302.338 0.977 20 0 DCADMM CS(C)(=O)=NS(=O)(=O)[N-]Cc1cccc2c1OCO2 ZINC000820787030 671226863 /nfs/dbraw/zinc/22/68/63/671226863.db2.gz FGSJNWPHZRPBGB-UHFFFAOYSA-N -1 1 306.365 0.477 20 0 DCADMM Cc1noc(C)c1CC[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000820790887 671227337 /nfs/dbraw/zinc/22/73/37/671227337.db2.gz ZORCMGRBMYNVSL-UHFFFAOYSA-N -1 1 321.424 0.930 20 0 DCADMM CCn1ncc(CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)n1 ZINC000861026275 671260524 /nfs/dbraw/zinc/26/05/24/671260524.db2.gz JHZZROUYNPLFJI-UHFFFAOYSA-N -1 1 300.326 0.275 20 0 DCADMM CC(C)N1C(=O)CC[C@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000821195386 671261279 /nfs/dbraw/zinc/26/12/79/671261279.db2.gz QRUXAUKPMWVSFH-MNOVXSKESA-N -1 1 306.370 0.305 20 0 DCADMM CC(C)(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC000824080740 671419332 /nfs/dbraw/zinc/41/93/32/671419332.db2.gz 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CC(C)[C@@H](C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574003314 1163621921 /nfs/dbraw/zinc/62/19/21/1163621921.db2.gz AJNBMWFJJVXESC-SNVBAGLBSA-N -1 1 318.385 0.501 20 0 DCADMM CC(C)[C@H](C)C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574003447 1163621997 /nfs/dbraw/zinc/62/19/97/1163621997.db2.gz CIRDOHLQOVSHBJ-ZJUUUORDSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@H](C)C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574003447 1163621999 /nfs/dbraw/zinc/62/19/99/1163621999.db2.gz CIRDOHLQOVSHBJ-ZJUUUORDSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@H](F)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574064735 1163632357 /nfs/dbraw/zinc/63/23/57/1163632357.db2.gz TVAIUOZXIVMHNP-NSHDSACASA-N -1 1 322.348 0.521 20 0 DCADMM CC(C)[C@H](F)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574064735 1163632362 /nfs/dbraw/zinc/63/23/62/1163632362.db2.gz TVAIUOZXIVMHNP-NSHDSACASA-N -1 1 322.348 0.521 20 0 DCADMM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(C(=O)[O-])o1 ZINC001574059490 1163632748 /nfs/dbraw/zinc/63/27/48/1163632748.db2.gz MCWZJUBJJSNZID-GHMZBOCLSA-N -1 1 316.379 0.928 20 0 DCADMM Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2nc(C(=O)[O-])n[n-]2)c[nH+]1 ZINC001574172591 1163651311 /nfs/dbraw/zinc/65/13/11/1163651311.db2.gz GWMFSDBFOPWCTQ-QMMMGPOBSA-N -1 1 306.326 0.620 20 0 DCADMM O=C([O-])[C@H](NC(=O)CCN1CC[C@H](F)C1)[C@@H]1CCCOC1 ZINC001574293946 1163687189 /nfs/dbraw/zinc/68/71/89/1163687189.db2.gz RJMUXIRSAOBWCV-NTZNESFSSA-N -1 1 302.346 0.416 20 0 DCADMM O=C([O-])[C@H]1CCCN(CC(=O)NC2(c3nc[nH]n3)CCC2)C1 ZINC001574299449 1163689945 /nfs/dbraw/zinc/68/99/45/1163689945.db2.gz JEASKISKUAGXLH-JTQLQIEISA-N -1 1 307.354 0.097 20 0 DCADMM O=C([O-])N1CC[C@H](NC(=O)c2ccc(Cc3nc[nH]n3)cc2)C1 ZINC001574314382 1163695475 /nfs/dbraw/zinc/69/54/75/1163695475.db2.gz WYVZYKYPKHAVNZ-LBPRGKRZSA-N -1 1 315.333 0.878 20 0 DCADMM O=C([O-])N1C[C@@H](CO)[C@@H](NCc2ccc(-c3cc[nH]n3)o2)C1 ZINC001574377627 1163710349 /nfs/dbraw/zinc/71/03/49/1163710349.db2.gz VRCHIBDXIMGOCD-CABZTGNLSA-N -1 1 306.322 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1163755718 /nfs/dbraw/zinc/75/57/18/1163755718.db2.gz LJLIOYXDSPTLSD-GUBZILKMSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)F ZINC001574801879 1163756126 /nfs/dbraw/zinc/75/61/26/1163756126.db2.gz OCXMYKZLGMZAIW-MRVPVSSYSA-N -1 1 322.348 0.346 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574840382 1163767689 /nfs/dbraw/zinc/76/76/89/1163767689.db2.gz JCVFJMRETBULJO-KCJUWKMLSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574840382 1163767693 /nfs/dbraw/zinc/76/76/93/1163767693.db2.gz JCVFJMRETBULJO-KCJUWKMLSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574840383 1163768286 /nfs/dbraw/zinc/76/82/86/1163768286.db2.gz JCVFJMRETBULJO-KWQFWETISA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574840383 1163768292 /nfs/dbraw/zinc/76/82/92/1163768292.db2.gz JCVFJMRETBULJO-KWQFWETISA-N -1 1 322.348 0.567 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC1(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574862593 1163775973 /nfs/dbraw/zinc/77/59/73/1163775973.db2.gz USNBQKISGPSKKB-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC1(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574862593 1163775977 /nfs/dbraw/zinc/77/59/77/1163775977.db2.gz USNBQKISGPSKKB-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)C1CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574869433 1163779507 /nfs/dbraw/zinc/77/95/07/1163779507.db2.gz ZIZNGZHTOUBEPS-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)C1CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574869433 1163779514 /nfs/dbraw/zinc/77/95/14/1163779514.db2.gz ZIZNGZHTOUBEPS-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)CCCF)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574904230 1163793534 /nfs/dbraw/zinc/79/35/34/1163793534.db2.gz JCTBEJAWTZKDFZ-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM C[C@@H](CNC(=O)CCCF)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574904230 1163793541 /nfs/dbraw/zinc/79/35/41/1163793541.db2.gz JCTBEJAWTZKDFZ-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM CC1(C)C[C@H]1C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575654984 1164096850 /nfs/dbraw/zinc/09/68/50/1164096850.db2.gz KRWRONILFZYLNX-QMMMGPOBSA-N -1 1 302.342 0.231 20 0 DCADMM CC1(C)C[C@H]1C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575654984 1164096856 /nfs/dbraw/zinc/09/68/56/1164096856.db2.gz KRWRONILFZYLNX-QMMMGPOBSA-N -1 1 302.342 0.231 20 0 DCADMM CC1(C)CC[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575692819 1164107333 /nfs/dbraw/zinc/10/73/33/1164107333.db2.gz IQSINSPUAOLNCR-VXGBXAGGSA-N -1 1 316.365 0.931 20 0 DCADMM CC1(C)CC[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575692819 1164107338 /nfs/dbraw/zinc/10/73/38/1164107338.db2.gz IQSINSPUAOLNCR-VXGBXAGGSA-N -1 1 316.365 0.931 20 0 DCADMM C[C@H]1CC[C@@H](CC(=O)NCCCNC(=O)c2ncccc2[O-])O1 ZINC001575794930 1164154709 /nfs/dbraw/zinc/15/47/09/1164154709.db2.gz MNIHEUSSBKRBRN-RYUDHWBXSA-N -1 1 321.377 0.981 20 0 DCADMM 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CS(=O)(=O)c1cccc(Oc2cncc(-c3nn[n-]n3)n2)c1 ZINC001580171887 1165526079 /nfs/dbraw/zinc/52/60/79/1165526079.db2.gz ARDGTVGJHDZFTH-UHFFFAOYSA-N -1 1 318.318 0.853 20 0 DCADMM CS[C@H](C)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001580188129 1165531781 /nfs/dbraw/zinc/53/17/81/1165531781.db2.gz QTDBYRUKMPITOB-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001580188129 1165531789 /nfs/dbraw/zinc/53/17/89/1165531789.db2.gz QTDBYRUKMPITOB-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001580248500 1165548118 /nfs/dbraw/zinc/54/81/18/1165548118.db2.gz FACJAONASYRXFM-KXUCPTDWSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccco1 ZINC001580293904 1165560744 /nfs/dbraw/zinc/56/07/44/1165560744.db2.gz JXFPCKRSMKUMRV-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccco1 ZINC001580293904 1165560752 /nfs/dbraw/zinc/56/07/52/1165560752.db2.gz JXFPCKRSMKUMRV-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CC1(F)F ZINC001580300310 1165563887 /nfs/dbraw/zinc/56/38/87/1165563887.db2.gz OYLCDEWBKWVIEJ-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CC1(F)F ZINC001580300310 1165563893 /nfs/dbraw/zinc/56/38/93/1165563893.db2.gz OYLCDEWBKWVIEJ-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCC1CC1 ZINC001580422575 1165599413 /nfs/dbraw/zinc/59/94/13/1165599413.db2.gz SGDWEJHACUBFHB-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCC1CC1 ZINC001580422575 1165599418 /nfs/dbraw/zinc/59/94/18/1165599418.db2.gz SGDWEJHACUBFHB-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CC12CC2 ZINC001580427939 1165601110 /nfs/dbraw/zinc/60/11/10/1165601110.db2.gz XZWCCGDLKUSLGN-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CC12CC2 ZINC001580427939 1165601115 /nfs/dbraw/zinc/60/11/15/1165601115.db2.gz XZWCCGDLKUSLGN-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001580451115 1165604704 /nfs/dbraw/zinc/60/47/04/1165604704.db2.gz LNIOIWOBGSKRSP-GUBZILKMSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001580451115 1165604708 /nfs/dbraw/zinc/60/47/08/1165604708.db2.gz LNIOIWOBGSKRSP-GUBZILKMSA-N -1 1 314.353 0.326 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCSC1 ZINC001580601657 1165651064 /nfs/dbraw/zinc/65/10/64/1165651064.db2.gz COPVDBPMRRFDPD-SSDOTTSWSA-N -1 1 306.351 0.511 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CS[C@@H](C)C1 ZINC001580605401 1165654236 /nfs/dbraw/zinc/65/42/36/1165654236.db2.gz ZDEPXDYRTTUOQK-YUMQZZPRSA-N -1 1 320.378 0.900 20 0 DCADMM Cc1cc(OCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)no1 ZINC001581043085 1165778935 /nfs/dbraw/zinc/77/89/35/1165778935.db2.gz RERKNPREBNBSCB-UHFFFAOYSA-N -1 1 315.293 0.253 20 0 DCADMM Cc1cc(OCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)no1 ZINC001581043085 1165778944 /nfs/dbraw/zinc/77/89/44/1165778944.db2.gz RERKNPREBNBSCB-UHFFFAOYSA-N -1 1 315.293 0.253 20 0 DCADMM Cc1nc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c2ccccn12 ZINC001581436087 1165827533 /nfs/dbraw/zinc/82/75/33/1165827533.db2.gz LALXKLOMNURLLS-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1nnc(C2CN(C(=O)c3ccsc3-c3nn[n-]n3)C2)[nH]1 ZINC001581445749 1165828685 /nfs/dbraw/zinc/82/86/85/1165828685.db2.gz CVKCTKZEFIDRQW-UHFFFAOYSA-N -1 1 316.350 0.594 20 0 DCADMM Cc1nccnc1[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001581565867 1165842841 /nfs/dbraw/zinc/84/28/41/1165842841.db2.gz ALDXRZBTCUYBHX-VIFPVBQESA-N -1 1 310.321 0.851 20 0 DCADMM Cc1nccnc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001581565867 1165842848 /nfs/dbraw/zinc/84/28/48/1165842848.db2.gz ALDXRZBTCUYBHX-VIFPVBQESA-N -1 1 310.321 0.851 20 0 DCADMM Cc1nnc(CCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001581609424 1165849246 /nfs/dbraw/zinc/84/92/46/1165849246.db2.gz JDYNOKQFQULGRA-UHFFFAOYSA-N -1 1 314.309 0.202 20 0 DCADMM Cc1nnc(CCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001581609424 1165849251 /nfs/dbraw/zinc/84/92/51/1165849251.db2.gz JDYNOKQFQULGRA-UHFFFAOYSA-N -1 1 314.309 0.202 20 0 DCADMM Cc1noc([C@@H](C)NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001581625389 1165852469 /nfs/dbraw/zinc/85/24/69/1165852469.db2.gz XZQHQEOHRULOBV-ZCFIWIBFSA-N -1 1 315.297 0.836 20 0 DCADMM Cc1noc([C@@H](C)NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001581625389 1165852474 /nfs/dbraw/zinc/85/24/74/1165852474.db2.gz XZQHQEOHRULOBV-ZCFIWIBFSA-N -1 1 315.297 0.836 20 0 DCADMM Cc1noc(C)c1CCC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001581632762 1165853517 /nfs/dbraw/zinc/85/35/17/1165853517.db2.gz UUTAKTWKHNWCLG-UHFFFAOYSA-N -1 1 316.325 0.776 20 0 DCADMM Cc1noc(C)c1CCC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001581632762 1165853524 /nfs/dbraw/zinc/85/35/24/1165853524.db2.gz UUTAKTWKHNWCLG-UHFFFAOYSA-N -1 1 316.325 0.776 20 0 DCADMM Cc1onc(CC(=O)NCCc2cnoc2)c1-c1nnn[n-]1 ZINC001581739324 1165860795 /nfs/dbraw/zinc/86/07/95/1165860795.db2.gz PMWYYMZBVSHFBZ-UHFFFAOYSA-N -1 1 303.282 0.053 20 0 DCADMM Cc1onc(CC(=O)NCCc2cnoc2)c1-c1nn[n-]n1 ZINC001581739324 1165860800 /nfs/dbraw/zinc/86/08/00/1165860800.db2.gz PMWYYMZBVSHFBZ-UHFFFAOYSA-N -1 1 303.282 0.053 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1-c1nnn[n-]1 ZINC001581738769 1165861161 /nfs/dbraw/zinc/86/11/61/1165861161.db2.gz AQMNMUPPJNGARP-IYYTYJHQSA-N -1 1 318.337 0.077 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1-c1nn[n-]n1 ZINC001581738769 1165861166 /nfs/dbraw/zinc/86/11/66/1165861166.db2.gz AQMNMUPPJNGARP-IYYTYJHQSA-N -1 1 318.337 0.077 20 0 DCADMM Cc1onc(CC(=O)NCc2cncc(F)c2)c1-c1nnn[n-]1 ZINC001581739085 1165865401 /nfs/dbraw/zinc/86/54/01/1165865401.db2.gz JWTLIHXZQPLJAN-UHFFFAOYSA-N -1 1 317.284 0.556 20 0 DCADMM Cc1onc(CC(=O)NCc2cncc(F)c2)c1-c1nn[n-]n1 ZINC001581739085 1165865407 /nfs/dbraw/zinc/86/54/07/1165865407.db2.gz JWTLIHXZQPLJAN-UHFFFAOYSA-N -1 1 317.284 0.556 20 0 DCADMM NC(=O)[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccccn1 ZINC001581887362 1165904595 /nfs/dbraw/zinc/90/45/95/1165904595.db2.gz JTZRPVDUUABMCK-JTQLQIEISA-N -1 1 316.350 0.034 20 0 DCADMM NC(=O)[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccccn1 ZINC001581887362 1165904600 /nfs/dbraw/zinc/90/46/00/1165904600.db2.gz JTZRPVDUUABMCK-JTQLQIEISA-N -1 1 316.350 0.034 20 0 DCADMM NC(=O)c1cnc(NC(=O)c2ccsc2-c2nnn[n-]2)s1 ZINC001581905646 1165910200 /nfs/dbraw/zinc/91/02/00/1165910200.db2.gz VZFUNROPUMUITO-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM NC(=O)c1cnc(NC(=O)c2ccsc2-c2nn[n-]n2)s1 ZINC001581905646 1165910206 /nfs/dbraw/zinc/91/02/06/1165910206.db2.gz VZFUNROPUMUITO-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM O=C(CC1CC1)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001581971244 1165926634 /nfs/dbraw/zinc/92/66/34/1165926634.db2.gz CZGRWGNUAKELHK-UPHRSURJSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(CC1CC1)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001581971244 1165926643 /nfs/dbraw/zinc/92/66/43/1165926643.db2.gz CZGRWGNUAKELHK-UPHRSURJSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cnc2nccn2c1 ZINC001582139182 1165967983 /nfs/dbraw/zinc/96/79/83/1165967983.db2.gz QWEBDZWPDONZLA-UHFFFAOYSA-N -1 1 321.304 0.486 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cnc2nccn2c1 ZINC001582139182 1165967988 /nfs/dbraw/zinc/96/79/88/1165967988.db2.gz QWEBDZWPDONZLA-UHFFFAOYSA-N -1 1 321.304 0.486 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cnccc1CO ZINC001582139027 1165968493 /nfs/dbraw/zinc/96/84/93/1165968493.db2.gz OQTJDTKIHAVIAS-UHFFFAOYSA-N -1 1 311.305 0.330 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cnccc1CO ZINC001582139027 1165968499 /nfs/dbraw/zinc/96/84/99/1165968499.db2.gz OQTJDTKIHAVIAS-UHFFFAOYSA-N -1 1 311.305 0.330 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(C(F)(F)F)CCC1 ZINC001582197817 1165982528 /nfs/dbraw/zinc/98/25/28/1165982528.db2.gz ASWSVVNLBDRHDZ-UHFFFAOYSA-N -1 1 316.247 0.059 20 0 DCADMM O=C(N[C@@H]1CCC2(C1)OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC001582277202 1165995023 /nfs/dbraw/zinc/99/50/23/1165995023.db2.gz SHZSCMQLSSFBPQ-MRVPVSSYSA-N -1 1 321.362 0.954 20 0 DCADMM O=C(N[C@@H]1CCC2(C1)OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC001582277202 1165995029 /nfs/dbraw/zinc/99/50/29/1165995029.db2.gz SHZSCMQLSSFBPQ-MRVPVSSYSA-N -1 1 321.362 0.954 20 0 DCADMM O=C(NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)C1CC1 ZINC001582366543 1166007168 /nfs/dbraw/zinc/00/71/68/1166007168.db2.gz DXJTZBNSZABQPI-SNVBAGLBSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)C1CC1 ZINC001582366543 1166007175 /nfs/dbraw/zinc/00/71/75/1166007175.db2.gz DXJTZBNSZABQPI-SNVBAGLBSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@@H](O)c1ccco1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582380581 1166008611 /nfs/dbraw/zinc/00/86/11/1166008611.db2.gz BVKRAVJEOLVKAC-SECBINFHSA-N -1 1 315.293 0.710 20 0 DCADMM O=C(NC[C@@H](O)c1ccco1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582380581 1166008618 /nfs/dbraw/zinc/00/86/18/1166008618.db2.gz BVKRAVJEOLVKAC-SECBINFHSA-N -1 1 315.293 0.710 20 0 DCADMM O=C(NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001582394366 1166011744 /nfs/dbraw/zinc/01/17/44/1166011744.db2.gz HPORRHLJDSDMIJ-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001582394366 1166011752 /nfs/dbraw/zinc/01/17/52/1166011752.db2.gz HPORRHLJDSDMIJ-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc2n(n1)CCCC2 ZINC001582554688 1166040869 /nfs/dbraw/zinc/04/08/69/1166040869.db2.gz QCHWWJSOYFAYRR-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc2n(n1)CCCC2 ZINC001582554688 1166040877 /nfs/dbraw/zinc/04/08/77/1166040877.db2.gz QCHWWJSOYFAYRR-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cccc(-c2nnn[n-]2)n1 ZINC001582586461 1166049617 /nfs/dbraw/zinc/04/96/17/1166049617.db2.gz RKBYAPJVAXVOQG-ZIAGYGMSSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cccc(-c2nn[n-]n2)n1 ZINC001582586461 1166049622 /nfs/dbraw/zinc/04/96/22/1166049622.db2.gz RKBYAPJVAXVOQG-ZIAGYGMSSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001582583577 1166050332 /nfs/dbraw/zinc/05/03/32/1166050332.db2.gz AKYRQABIIIOGHL-GXFFZTMASA-N -1 1 314.349 0.807 20 0 DCADMM O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001582583577 1166050339 /nfs/dbraw/zinc/05/03/39/1166050339.db2.gz AKYRQABIIIOGHL-GXFFZTMASA-N -1 1 314.349 0.807 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001582616350 1166053530 /nfs/dbraw/zinc/05/35/30/1166053530.db2.gz SAWLKFCGXKFQMN-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001582616350 1166053538 /nfs/dbraw/zinc/05/35/38/1166053538.db2.gz SAWLKFCGXKFQMN-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1scc2c1OCCO2 ZINC001582631948 1166056714 /nfs/dbraw/zinc/05/67/14/1166056714.db2.gz UCGVQSILXYCSBU-UHFFFAOYSA-N -1 1 319.306 0.675 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1scc2c1OCCO2 ZINC001582631948 1166056717 /nfs/dbraw/zinc/05/67/17/1166056717.db2.gz UCGVQSILXYCSBU-UHFFFAOYSA-N -1 1 319.306 0.675 20 0 DCADMM O=C(Nc1ccc(OCCO)nc1)c1ccc(-c2nn[n-]n2)o1 ZINC001582641473 1166058629 /nfs/dbraw/zinc/05/86/29/1166058629.db2.gz DKQAPCUJPSUSTD-UHFFFAOYSA-N -1 1 316.277 0.478 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CCO[C@H]1C1CC1 ZINC001582645444 1166059729 /nfs/dbraw/zinc/05/97/29/1166059729.db2.gz XXHBBDDESFXGIA-SKDRFNHKSA-N -1 1 315.337 0.951 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CCO[C@H]1C1CC1 ZINC001582645444 1166059733 /nfs/dbraw/zinc/05/97/33/1166059733.db2.gz XXHBBDDESFXGIA-SKDRFNHKSA-N -1 1 315.337 0.951 20 0 DCADMM O=C1C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)CN1c1ccccc1 ZINC001582760182 1166077646 /nfs/dbraw/zinc/07/76/46/1166077646.db2.gz NJVOXKSPDSQBIN-GFCCVEGCSA-N -1 1 321.344 0.901 20 0 DCADMM O=C1C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)CN1c1ccccc1 ZINC001582760182 1166077655 /nfs/dbraw/zinc/07/76/55/1166077655.db2.gz NJVOXKSPDSQBIN-GFCCVEGCSA-N -1 1 321.344 0.901 20 0 DCADMM O=S(=O)(NCc1ccns1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582798243 1166078506 /nfs/dbraw/zinc/07/85/06/1166078506.db2.gz XSWFLZYOSVOOKL-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM O=S(=O)(NCc1ccns1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582798243 1166078508 /nfs/dbraw/zinc/07/85/08/1166078508.db2.gz XSWFLZYOSVOOKL-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM O=C1CN(c2cccc(-c3nnn[n-]3)n2)[C@@H](c2ccccc2)CN1 ZINC001582777469 1166080215 /nfs/dbraw/zinc/08/02/15/1166080215.db2.gz ZCMKFNHVZXWCGE-CYBMUJFWSA-N -1 1 321.344 0.939 20 0 DCADMM O=C1CN(c2cccc(-c3nn[n-]n3)n2)[C@@H](c2ccccc2)CN1 ZINC001582777469 1166080223 /nfs/dbraw/zinc/08/02/23/1166080223.db2.gz ZCMKFNHVZXWCGE-CYBMUJFWSA-N -1 1 321.344 0.939 20 0 DCADMM O=C1Nc2ccc(Nc3ccnc(-c4nn[n-]n4)n3)cc2CO1 ZINC001582789608 1166081279 /nfs/dbraw/zinc/08/12/79/1166081279.db2.gz VKEUTHLRKQCXRF-UHFFFAOYSA-N -1 1 310.277 0.884 20 0 DCADMM O=S(=O)(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccnc1-c1nn[n-]n1 ZINC001582794382 1166083366 /nfs/dbraw/zinc/08/33/66/1166083366.db2.gz LYSAMOPDMLPFHK-KXUCPTDWSA-N -1 1 320.378 0.729 20 0 DCADMM OC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@@H](O)C1CCCCC1 ZINC001582810947 1166091747 /nfs/dbraw/zinc/09/17/47/1166091747.db2.gz WTCVXGLNNIXEOS-AAEUAGOBSA-N -1 1 319.369 0.371 20 0 DCADMM OC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@@H](O)C1CCCCC1 ZINC001582810947 1166091751 /nfs/dbraw/zinc/09/17/51/1166091751.db2.gz WTCVXGLNNIXEOS-AAEUAGOBSA-N -1 1 319.369 0.371 20 0 DCADMM OC[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CC[C@@H]1O ZINC001582813095 1166093312 /nfs/dbraw/zinc/09/33/12/1166093312.db2.gz WGYCDIGJBUQBCD-WDSKDSINSA-N -1 1 316.774 0.156 20 0 DCADMM OCc1nnc2n1CCN(Cc1csc(-c3nn[n-]n3)c1)C2 ZINC001582813415 1166094876 /nfs/dbraw/zinc/09/48/76/1166094876.db2.gz HMNMQMUYTLQTET-UHFFFAOYSA-N -1 1 318.366 0.028 20 0 DCADMM CCCOCC(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] 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CC(C)C(=O)NC[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001589849428 1166701026 /nfs/dbraw/zinc/70/10/26/1166701026.db2.gz BRWZFTBBLVDEFH-VIFPVBQESA-N -1 1 304.358 0.477 20 0 DCADMM C[C@@H](CO)N(CC1CCC1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589881913 1166705356 /nfs/dbraw/zinc/70/53/56/1166705356.db2.gz GQKCIZHUAAWFIK-JTQLQIEISA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](CO)N(CC1CCC1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589881913 1166705359 /nfs/dbraw/zinc/70/53/59/1166705359.db2.gz GQKCIZHUAAWFIK-JTQLQIEISA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H](Cn1cccn1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589904193 1166714631 /nfs/dbraw/zinc/71/46/31/1166714631.db2.gz PCTZNIBEXPKVJB-MRVPVSSYSA-N -1 1 303.351 0.943 20 0 DCADMM C[C@H](Cn1cccn1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589904193 1166714636 /nfs/dbraw/zinc/71/46/36/1166714636.db2.gz PCTZNIBEXPKVJB-MRVPVSSYSA-N -1 1 303.351 0.943 20 0 DCADMM C[C@H](F)CCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589910818 1166715168 /nfs/dbraw/zinc/71/51/68/1166715168.db2.gz 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C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(=O)N1CCCC[C@@H]1C ZINC001589986514 1166736862 /nfs/dbraw/zinc/73/68/62/1166736862.db2.gz KEMHMEGECXWECW-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(=O)N1CCCC[C@@H]1C ZINC001589986514 1166736870 /nfs/dbraw/zinc/73/68/70/1166736870.db2.gz KEMHMEGECXWECW-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@H](O)C(C)(C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589993222 1166739619 /nfs/dbraw/zinc/73/96/19/1166739619.db2.gz PYPISMUXLNFQTP-ZETCQYMHSA-N -1 1 308.346 0.129 20 0 DCADMM C[C@H](O)C(C)(C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589993222 1166739627 /nfs/dbraw/zinc/73/96/27/1166739627.db2.gz PYPISMUXLNFQTP-ZETCQYMHSA-N -1 1 308.346 0.129 20 0 DCADMM C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589998149 1166745005 /nfs/dbraw/zinc/74/50/05/1166745005.db2.gz WEYFRGMIIUDWNU-CABZTGNLSA-N -1 1 302.338 0.637 20 0 DCADMM C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589998149 1166745009 /nfs/dbraw/zinc/74/50/09/1166745009.db2.gz WEYFRGMIIUDWNU-CABZTGNLSA-N -1 1 302.338 0.637 20 0 DCADMM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1ncnn1C ZINC001590011621 1166752671 /nfs/dbraw/zinc/75/26/71/1166752671.db2.gz WLLUNYCAZWCUSW-ZETCQYMHSA-N -1 1 300.282 0.308 20 0 DCADMM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1ncnn1C ZINC001590011621 1166752675 /nfs/dbraw/zinc/75/26/75/1166752675.db2.gz WLLUNYCAZWCUSW-ZETCQYMHSA-N -1 1 300.282 0.308 20 0 DCADMM CC1(C(=O)NCCNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001590068141 1166762767 /nfs/dbraw/zinc/76/27/67/1166762767.db2.gz ROAQLDUQPFIUMP-UHFFFAOYSA-N -1 1 316.369 0.187 20 0 DCADMM C[C@@]1(C(N)=O)CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001590072187 1166764663 /nfs/dbraw/zinc/76/46/63/1166764663.db2.gz FSFKNGUKODRLKY-OAHLLOKOSA-N -1 1 324.348 0.512 20 0 DCADMM C[C@@]1(C(N)=O)CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001590072187 1166764670 /nfs/dbraw/zinc/76/46/70/1166764670.db2.gz FSFKNGUKODRLKY-OAHLLOKOSA-N -1 1 324.348 0.512 20 0 DCADMM CC1(C)CC(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590081505 1166767830 /nfs/dbraw/zinc/76/78/30/1166767830.db2.gz ZZSORMHDAMPGIS-UHFFFAOYSA-N -1 1 304.310 0.200 20 0 DCADMM CC1(C)CC(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590081505 1166767836 /nfs/dbraw/zinc/76/78/36/1166767836.db2.gz ZZSORMHDAMPGIS-UHFFFAOYSA-N -1 1 304.310 0.200 20 0 DCADMM CC1(C)CCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590097498 1166770906 /nfs/dbraw/zinc/77/09/06/1166770906.db2.gz VSAYHDBVHCPMBE-UHFFFAOYSA-N -1 1 319.373 0.290 20 0 DCADMM CC1(C)CCN(c2cc(-c3nnn[n-]3)ncn2)CCS1(=O)=O ZINC001590101124 1166774071 /nfs/dbraw/zinc/77/40/71/1166774071.db2.gz XXXXAGIQJYEBBQ-UHFFFAOYSA-N -1 1 323.382 0.060 20 0 DCADMM CC1(C)CCN(c2cc(-c3nn[n-]n3)ncn2)CCS1(=O)=O ZINC001590101124 1166774075 /nfs/dbraw/zinc/77/40/75/1166774075.db2.gz XXXXAGIQJYEBBQ-UHFFFAOYSA-N -1 1 323.382 0.060 20 0 DCADMM CC1(C)CNC(=O)[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590108953 1166775859 /nfs/dbraw/zinc/77/58/59/1166775859.db2.gz CDUMRZORJPJMTI-QMMMGPOBSA-N -1 1 306.351 0.183 20 0 DCADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@]2(CCOC2)O1 ZINC001590108538 1166776320 /nfs/dbraw/zinc/77/63/20/1166776320.db2.gz WGJGBWPOTSAATJ-AWEZNQCLSA-N -1 1 317.353 0.431 20 0 DCADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@]2(CCOC2)O1 ZINC001590108538 1166776325 /nfs/dbraw/zinc/77/63/25/1166776325.db2.gz WGJGBWPOTSAATJ-AWEZNQCLSA-N -1 1 317.353 0.431 20 0 DCADMM CC1([C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)OCCO1 ZINC001590119763 1166782927 /nfs/dbraw/zinc/78/29/27/1166782927.db2.gz ICRNWTRYCLTIFV-JTQLQIEISA-N -1 1 317.353 0.636 20 0 DCADMM CC1([C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)OCCO1 ZINC001590119763 1166782933 /nfs/dbraw/zinc/78/29/33/1166782933.db2.gz ICRNWTRYCLTIFV-JTQLQIEISA-N -1 1 317.353 0.636 20 0 DCADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590167064 1166796240 /nfs/dbraw/zinc/79/62/40/1166796240.db2.gz JZSLUANFHLWILA-SMGPQHALSA-N -1 1 309.351 0.441 20 0 DCADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590167064 1166796245 /nfs/dbraw/zinc/79/62/45/1166796245.db2.gz JZSLUANFHLWILA-SMGPQHALSA-N -1 1 309.351 0.441 20 0 DCADMM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590167063 1166796539 /nfs/dbraw/zinc/79/65/39/1166796539.db2.gz JZSLUANFHLWILA-WYSZEVMTSA-N -1 1 309.351 0.441 20 0 DCADMM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590167063 1166796543 /nfs/dbraw/zinc/79/65/43/1166796543.db2.gz JZSLUANFHLWILA-WYSZEVMTSA-N -1 1 309.351 0.441 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)[C@H](C)O1 ZINC001590193320 1166807425 /nfs/dbraw/zinc/80/74/25/1166807425.db2.gz JSQIUKUEOKXSFB-SCVCMEIPSA-N -1 1 316.365 0.734 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)[C@H](C)O1 ZINC001590193320 1166807432 /nfs/dbraw/zinc/80/74/32/1166807432.db2.gz JSQIUKUEOKXSFB-SCVCMEIPSA-N -1 1 316.365 0.734 20 0 DCADMM C[C@H]1CC[C@H](C)N1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590226850 1166821151 /nfs/dbraw/zinc/82/11/51/1166821151.db2.gz HDPAXQILZAKZND-IUCAKERBSA-N -1 1 315.337 0.600 20 0 DCADMM C[C@H]1CC[C@H](C)N1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590226850 1166821153 /nfs/dbraw/zinc/82/11/53/1166821153.db2.gz HDPAXQILZAKZND-IUCAKERBSA-N -1 1 315.337 0.600 20 0 DCADMM C[C@H]1CCC[C@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001590247398 1166826656 /nfs/dbraw/zinc/82/66/56/1166826656.db2.gz JVCXGIRPPBNSAU-YUMQZZPRSA-N -1 1 305.342 0.514 20 0 DCADMM C[C@@H](C(=O)NC[C@H]1CCC[C@@H](C)O1)n1cnc(-c2nn[n-]n2)n1 ZINC001590245494 1166826710 /nfs/dbraw/zinc/82/67/10/1166826710.db2.gz YWDHOYXRWNMFRD-KXUCPTDWSA-N -1 1 320.357 0.093 20 0 DCADMM C[C@@H]1CCCc2ncc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)n21 ZINC001590266475 1166832686 /nfs/dbraw/zinc/83/26/86/1166832686.db2.gz RTPDXTLFDUKNNV-SSDOTTSWSA-N -1 1 313.325 0.936 20 0 DCADMM C[C@@H]1CCCc2ncc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)n21 ZINC001590266475 1166832693 /nfs/dbraw/zinc/83/26/93/1166832693.db2.gz RTPDXTLFDUKNNV-SSDOTTSWSA-N -1 1 313.325 0.936 20 0 DCADMM C[C@@H]1CCNC(=O)[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590278625 1166840860 /nfs/dbraw/zinc/84/08/60/1166840860.db2.gz UBANCNVQFGIYSP-MUWHJKNJSA-N -1 1 307.745 0.852 20 0 DCADMM C[C@@H]1CCNC(=O)[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590278625 1166840862 /nfs/dbraw/zinc/84/08/62/1166840862.db2.gz UBANCNVQFGIYSP-MUWHJKNJSA-N -1 1 307.745 0.852 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC(C)(C)O1 ZINC001590298271 1166844040 /nfs/dbraw/zinc/84/40/40/1166844040.db2.gz TUHFALOQTNLXKQ-VIFPVBQESA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC(C)(C)O1 ZINC001590298271 1166844051 /nfs/dbraw/zinc/84/40/51/1166844051.db2.gz TUHFALOQTNLXKQ-VIFPVBQESA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CC[S@@](=O)C1 ZINC001590309196 1166855395 /nfs/dbraw/zinc/85/53/95/1166855395.db2.gz WRJLIRHPAASQOI-CHNSCGDPSA-N -1 1 306.395 0.462 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)CCCO1 ZINC001590311168 1166857225 /nfs/dbraw/zinc/85/72/25/1166857225.db2.gz WBMXPUWQNMCWIC-MRVPVSSYSA-N -1 1 313.339 0.259 20 0 DCADMM C[C@H]1OCC[C@@]12CN(c1ncncc1-c1nn[n-]n1)C[C@@H](C)O2 ZINC001590319690 1166862796 /nfs/dbraw/zinc/86/27/96/1166862796.db2.gz FVOWACBAJSKSNJ-GPCCPHFNSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@@H]1OCC[C@]12CN(c1cncc(-c3nnn[n-]3)n1)C[C@@H](C)O2 ZINC001590317316 1166863332 /nfs/dbraw/zinc/86/33/32/1166863332.db2.gz XPBVNSKIVMISKX-BFVZDQMLSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@@H]1OCC[C@]12CN(c1cncc(-c3nn[n-]n3)n1)C[C@@H](C)O2 ZINC001590317316 1166863336 /nfs/dbraw/zinc/86/33/36/1166863336.db2.gz XPBVNSKIVMISKX-BFVZDQMLSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@H]1OCC[C@]12CN(c1cccnc1-c1nnn[n-]1)CCO2 ZINC001590333716 1166869778 /nfs/dbraw/zinc/86/97/78/1166869778.db2.gz JNVONWKWYNUBKV-YGRLFVJLSA-N -1 1 302.338 0.646 20 0 DCADMM C[C@H]1OCC[C@]12CN(c1cccnc1-c1nn[n-]n1)CCO2 ZINC001590333716 1166869788 /nfs/dbraw/zinc/86/97/88/1166869788.db2.gz JNVONWKWYNUBKV-YGRLFVJLSA-N -1 1 302.338 0.646 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590340261 1166876205 /nfs/dbraw/zinc/87/62/05/1166876205.db2.gz ZWZKVRYZRACINR-UOKLYIGXSA-N -1 1 302.338 0.803 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590340261 1166876212 /nfs/dbraw/zinc/87/62/12/1166876212.db2.gz ZWZKVRYZRACINR-UOKLYIGXSA-N -1 1 302.338 0.803 20 0 DCADMM C/C=C(\C)C(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590346604 1166878370 /nfs/dbraw/zinc/87/83/70/1166878370.db2.gz BCQKOSAKJSJMLQ-STFJZOTBSA-N -1 1 316.369 0.350 20 0 DCADMM C/C=C(/C)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001590349380 1166878534 /nfs/dbraw/zinc/87/85/34/1166878534.db2.gz JHUWFZBRIFNKFP-USYJTPIQSA-N -1 1 302.342 0.540 20 0 DCADMM C/C=C(/C)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001590349380 1166878538 /nfs/dbraw/zinc/87/85/38/1166878538.db2.gz JHUWFZBRIFNKFP-USYJTPIQSA-N -1 1 302.342 0.540 20 0 DCADMM C/C=C(/C)C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590345041 1166879469 /nfs/dbraw/zinc/87/94/69/1166879469.db2.gz HHIPVNGGJJHLKO-JXQVMNEHSA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(/C)C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590345041 1166879473 /nfs/dbraw/zinc/87/94/73/1166879473.db2.gz HHIPVNGGJJHLKO-JXQVMNEHSA-N -1 1 314.353 0.707 20 0 DCADMM CCC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590358956 1166881239 /nfs/dbraw/zinc/88/12/39/1166881239.db2.gz AVLIABYCBAWCBB-SECBINFHSA-N -1 1 302.342 0.104 20 0 DCADMM C/C=C/C[C@H](CO)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001590351855 1166882624 /nfs/dbraw/zinc/88/26/24/1166882624.db2.gz IKHRCKDBCFGNIK-CDAZIORVSA-N -1 1 318.337 0.333 20 0 DCADMM C/C=C/C[C@H](CO)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590355364 1166882791 /nfs/dbraw/zinc/88/27/91/1166882791.db2.gz ZGGXJULKWQZHEO-GKQMSVHHSA-N -1 1 303.326 0.710 20 0 DCADMM C/C=C/C[C@H](CO)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590355364 1166882797 /nfs/dbraw/zinc/88/27/97/1166882797.db2.gz ZGGXJULKWQZHEO-GKQMSVHHSA-N -1 1 303.326 0.710 20 0 DCADMM CCC(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001590361219 1166883755 /nfs/dbraw/zinc/88/37/55/1166883755.db2.gz OVHCRALQMQBYNP-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CCC(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001590361219 1166883764 /nfs/dbraw/zinc/88/37/64/1166883764.db2.gz OVHCRALQMQBYNP-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CC/C(C)=C\C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001590389742 1166897489 /nfs/dbraw/zinc/89/74/89/1166897489.db2.gz YYBDBALSIMFOBV-YFHOEESVSA-N -1 1 316.369 0.931 20 0 DCADMM CC/C(C)=C\C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001590389742 1166897491 /nfs/dbraw/zinc/89/74/91/1166897491.db2.gz YYBDBALSIMFOBV-YFHOEESVSA-N -1 1 316.369 0.931 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)OC ZINC001590399741 1166897588 /nfs/dbraw/zinc/89/75/88/1166897588.db2.gz IJCAMJTVZNTBAU-XVKPBYJWSA-N -1 1 307.310 0.777 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)OC ZINC001590399741 1166897590 /nfs/dbraw/zinc/89/75/90/1166897590.db2.gz IJCAMJTVZNTBAU-XVKPBYJWSA-N -1 1 307.310 0.777 20 0 DCADMM CC[C@@H](C)CN(CC)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590410195 1166900749 /nfs/dbraw/zinc/90/07/49/1166900749.db2.gz JZSKCQDYKQAIIA-NXEZZACHSA-N -1 1 306.374 0.914 20 0 DCADMM CC[C@@H](CCO)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590438983 1166904858 /nfs/dbraw/zinc/90/48/58/1166904858.db2.gz JVGUNIWMMPMXPM-JTQLQIEISA-N -1 1 304.354 0.329 20 0 DCADMM CC[C@@H](CCO)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590438983 1166904864 /nfs/dbraw/zinc/90/48/64/1166904864.db2.gz JVGUNIWMMPMXPM-JTQLQIEISA-N -1 1 304.354 0.329 20 0 DCADMM CC[C@H](CSC)N(C)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590446588 1166908675 /nfs/dbraw/zinc/90/86/75/1166908675.db2.gz DGGWPTCNZOEEDS-RKDXNWHRSA-N -1 1 324.414 0.619 20 0 DCADMM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H](O)C(F)F ZINC001590459191 1166915959 /nfs/dbraw/zinc/91/59/59/1166915959.db2.gz IJIQPZUBSWQHSV-HZGVNTEJSA-N -1 1 312.280 0.396 20 0 DCADMM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H](O)C(F)F ZINC001590459191 1166915964 /nfs/dbraw/zinc/91/59/64/1166915964.db2.gz IJIQPZUBSWQHSV-HZGVNTEJSA-N -1 1 312.280 0.396 20 0 DCADMM CC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@@H](O)C(F)(F)F ZINC001590472745 1166918137 /nfs/dbraw/zinc/91/81/37/1166918137.db2.gz HCOLLTBJVIWPGA-VXNVDRBHSA-N -1 1 302.260 0.797 20 0 DCADMM CC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)[C@@H](O)C(F)(F)F ZINC001590472745 1166918142 /nfs/dbraw/zinc/91/81/42/1166918142.db2.gz HCOLLTBJVIWPGA-VXNVDRBHSA-N -1 1 302.260 0.797 20 0 DCADMM CC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)NC ZINC001590474229 1166919028 /nfs/dbraw/zinc/91/90/28/1166919028.db2.gz BDPJVSDJWXSMTE-SCSAIBSYSA-N -1 1 301.763 0.913 20 0 DCADMM CC[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001590477216 1166919187 /nfs/dbraw/zinc/91/91/87/1166919187.db2.gz FYCHERSFEMFVCT-SNVBAGLBSA-N -1 1 305.294 0.299 20 0 DCADMM CC[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC001590477216 1166919195 /nfs/dbraw/zinc/91/91/95/1166919195.db2.gz FYCHERSFEMFVCT-SNVBAGLBSA-N -1 1 305.294 0.299 20 0 DCADMM CC[C@]1(C)CC(=O)NN(c2oc(C)nc2-c2nn[n-]n2)C1=O ZINC001590489590 1166922763 /nfs/dbraw/zinc/92/27/63/1166922763.db2.gz SEZXNRTVUFJJBH-GFCCVEGCSA-N -1 1 305.298 0.347 20 0 DCADMM CCC1(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)COC1 ZINC001590488795 1166924210 /nfs/dbraw/zinc/92/42/10/1166924210.db2.gz XIYPWYXFFQIRHM-UHFFFAOYSA-N -1 1 303.326 0.832 20 0 DCADMM CC[C@@H]1C(=O)N(CC)CCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001590500862 1166927356 /nfs/dbraw/zinc/92/73/56/1166927356.db2.gz UNFGVXAJEQPJBA-LLVKDONJSA-N -1 1 304.354 0.902 20 0 DCADMM CC[C@@H]1C(=O)N(CC)CCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001590500862 1166927363 /nfs/dbraw/zinc/92/73/63/1166927363.db2.gz UNFGVXAJEQPJBA-LLVKDONJSA-N -1 1 304.354 0.902 20 0 DCADMM CC[C@@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001590513186 1166930041 /nfs/dbraw/zinc/93/00/41/1166930041.db2.gz OVAQYJKQGHOVOZ-MRVPVSSYSA-N -1 1 305.342 0.023 20 0 DCADMM CC[C@H]1COCCN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590526726 1166937964 /nfs/dbraw/zinc/93/79/64/1166937964.db2.gz SAWDIMVRGBJNDV-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM CCC[C@H](C)CCNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590549299 1166941929 /nfs/dbraw/zinc/94/19/29/1166941929.db2.gz DIQUWUXLDBLWRC-VHSXEESVSA-N -1 1 306.374 0.962 20 0 DCADMM CCC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)[nH]c1C)c1nn[n-]n1 ZINC001590561506 1166944543 /nfs/dbraw/zinc/94/45/43/1166944543.db2.gz QDCYPUIEGUFYJZ-MRVPVSSYSA-N -1 1 316.329 0.288 20 0 DCADMM CCCN(C)S(=O)(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590619869 1166952334 /nfs/dbraw/zinc/95/23/34/1166952334.db2.gz JTWSXMPCJUDMKI-UHFFFAOYSA-N -1 1 316.412 0.604 20 0 DCADMM CCCNC(=O)COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590638025 1166957668 /nfs/dbraw/zinc/95/76/68/1166957668.db2.gz PUPIKGOOKIBOIK-UHFFFAOYSA-N -1 1 307.285 0.689 20 0 DCADMM CCCNC(=O)COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590638025 1166957676 /nfs/dbraw/zinc/95/76/76/1166957676.db2.gz PUPIKGOOKIBOIK-UHFFFAOYSA-N -1 1 307.285 0.689 20 0 DCADMM CCN(C[C@H]1CCCO1)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590691530 1166975825 /nfs/dbraw/zinc/97/58/25/1166975825.db2.gz RTZVDFMFNSEQFD-NXEZZACHSA-N -1 1 320.357 0.047 20 0 DCADMM CCN(CCC(N)=O)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590692487 1166978323 /nfs/dbraw/zinc/97/83/23/1166978323.db2.gz RXQMFDKVXFPKMI-UHFFFAOYSA-N -1 1 324.291 0.482 20 0 DCADMM CCN(CCC(N)=O)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590692487 1166978329 /nfs/dbraw/zinc/97/83/29/1166978329.db2.gz RXQMFDKVXFPKMI-UHFFFAOYSA-N -1 1 324.291 0.482 20 0 DCADMM CCN(Cc1cccc(-c2nn[n-]n2)n1)[C@@H](C)CS(C)(=O)=O ZINC001590720280 1166981326 /nfs/dbraw/zinc/98/13/26/1166981326.db2.gz JZMAZYLAFMWBPE-JTQLQIEISA-N -1 1 324.410 0.517 20 0 DCADMM CCN1C[C@H](OC(=O)c2csc(-c3nnn[n-]3)c2)CNC1=O ZINC001590731021 1166986162 /nfs/dbraw/zinc/98/61/62/1166986162.db2.gz XLIXPVXUUQFGTJ-MRVPVSSYSA-N -1 1 322.350 0.499 20 0 DCADMM CCN1C[C@H](OC(=O)c2csc(-c3nn[n-]n3)c2)CNC1=O ZINC001590731021 1166986167 /nfs/dbraw/zinc/98/61/67/1166986167.db2.gz XLIXPVXUUQFGTJ-MRVPVSSYSA-N -1 1 322.350 0.499 20 0 DCADMM CCN1CCC[C@@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C1=O ZINC001590733599 1166992852 /nfs/dbraw/zinc/99/28/52/1166992852.db2.gz QWYKUJJPOUFDOR-LLVKDONJSA-N -1 1 301.354 0.415 20 0 DCADMM CCN1CCC[C@@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C1=O ZINC001590733599 1166992856 /nfs/dbraw/zinc/99/28/56/1166992856.db2.gz QWYKUJJPOUFDOR-LLVKDONJSA-N -1 1 301.354 0.415 20 0 DCADMM CCNC(=O)CCOC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590740216 1166997343 /nfs/dbraw/zinc/99/73/43/1166997343.db2.gz JUBCKPZQXHFYNX-UHFFFAOYSA-N -1 1 307.285 0.689 20 0 DCADMM CCNC(=O)CCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590740216 1166997348 /nfs/dbraw/zinc/99/73/48/1166997348.db2.gz JUBCKPZQXHFYNX-UHFFFAOYSA-N -1 1 307.285 0.689 20 0 DCADMM CCOC(=O)[C@@H](C)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590750394 1167004432 /nfs/dbraw/zinc/00/44/32/1167004432.db2.gz JGYRQQDEQHXEGG-QMMMGPOBSA-N -1 1 321.312 0.935 20 0 DCADMM CCOC(=O)[C@@H](C)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590750394 1167004434 /nfs/dbraw/zinc/00/44/34/1167004434.db2.gz JGYRQQDEQHXEGG-QMMMGPOBSA-N -1 1 321.312 0.935 20 0 DCADMM CCOC(=O)[C@H](C)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590752014 1167005794 /nfs/dbraw/zinc/00/57/94/1167005794.db2.gz SSEICZODFMLNMW-MRVPVSSYSA-N -1 1 305.294 0.618 20 0 DCADMM CCOC(=O)[C@H](C)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590752014 1167005805 /nfs/dbraw/zinc/00/58/05/1167005805.db2.gz SSEICZODFMLNMW-MRVPVSSYSA-N -1 1 305.294 0.618 20 0 DCADMM CCOC(=O)C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590763887 1167011320 /nfs/dbraw/zinc/01/13/20/1167011320.db2.gz NKHHINRTOMHVTR-JTQLQIEISA-N -1 1 317.353 0.887 20 0 DCADMM CCOC(=O)C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590763887 1167011323 /nfs/dbraw/zinc/01/13/23/1167011323.db2.gz NKHHINRTOMHVTR-JTQLQIEISA-N -1 1 317.353 0.887 20 0 DCADMM CCOC(=O)c1cnn(C[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC001590775224 1167017098 /nfs/dbraw/zinc/01/70/98/1167017098.db2.gz AYYAPGFDJFMYMP-VIFPVBQESA-N -1 1 306.326 0.809 20 0 DCADMM CCOC(=O)c1cnn(Cc2ncccc2C)c1-c1nn[n-]n1 ZINC001590778125 1167017965 /nfs/dbraw/zinc/01/79/65/1167017965.db2.gz YWJRQQYXZXFWRW-UHFFFAOYSA-N -1 1 313.321 0.992 20 0 DCADMM CCOC(=O)c1cnn(Cc2nc(C)oc2C)c1-c1nn[n-]n1 ZINC001590777948 1167019374 /nfs/dbraw/zinc/01/93/74/1167019374.db2.gz UPLSWQPPMGKJPE-UHFFFAOYSA-N -1 1 317.309 0.893 20 0 DCADMM CCO[C@@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1OC ZINC001590792683 1167020552 /nfs/dbraw/zinc/02/05/52/1167020552.db2.gz UMNNTHFCEXPDGU-IEBDPFPHSA-N -1 1 305.342 0.569 20 0 DCADMM CCO[C@@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1OC ZINC001590792683 1167020555 /nfs/dbraw/zinc/02/05/55/1167020555.db2.gz UMNNTHFCEXPDGU-IEBDPFPHSA-N -1 1 305.342 0.569 20 0 DCADMM CCOC1CC2(C[C@@H]2C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001590795764 1167020770 /nfs/dbraw/zinc/02/07/70/1167020770.db2.gz OCXIPEHKVLPNMG-ZNZYBQRESA-N -1 1 303.326 0.734 20 0 DCADMM CCOC1CC2(C[C@@H]2C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001590795764 1167020778 /nfs/dbraw/zinc/02/07/78/1167020778.db2.gz OCXIPEHKVLPNMG-ZNZYBQRESA-N -1 1 303.326 0.734 20 0 DCADMM CCOC1CC(N(C)Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001590793460 1167020853 /nfs/dbraw/zinc/02/08/53/1167020853.db2.gz RFPMWUSULMEODJ-UHFFFAOYSA-N -1 1 304.354 0.485 20 0 DCADMM CCOCCOC[C@H](O)CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590814038 1167029217 /nfs/dbraw/zinc/02/92/17/1167029217.db2.gz MBGRSKHETFWSDO-LLVKDONJSA-N -1 1 322.369 0.396 20 0 DCADMM CCOCCOC[C@H](O)CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590814038 1167029221 /nfs/dbraw/zinc/02/92/21/1167029221.db2.gz MBGRSKHETFWSDO-LLVKDONJSA-N -1 1 322.369 0.396 20 0 DCADMM CCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001590819567 1167030737 /nfs/dbraw/zinc/03/07/37/1167030737.db2.gz VYINKURFXMBZAB-SNVBAGLBSA-N -1 1 316.321 0.287 20 0 DCADMM CCOc1nc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)co1 ZINC001590844316 1167037253 /nfs/dbraw/zinc/03/72/53/1167037253.db2.gz XJSCCZCMPDYPDI-UHFFFAOYSA-N -1 1 301.266 0.901 20 0 DCADMM CCOc1nc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)co1 ZINC001590844316 1167037243 /nfs/dbraw/zinc/03/72/43/1167037243.db2.gz XJSCCZCMPDYPDI-UHFFFAOYSA-N -1 1 301.266 0.901 20 0 DCADMM CCc1ccc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)s1 ZINC001590885294 1167042460 /nfs/dbraw/zinc/04/24/60/1167042460.db2.gz JAMMSBPBZDGGIY-UHFFFAOYSA-N -1 1 318.366 0.512 20 0 DCADMM CCc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc(=O)[nH]1 ZINC001590881127 1167043647 /nfs/dbraw/zinc/04/36/47/1167043647.db2.gz MXEFZMPQNKRHOS-UHFFFAOYSA-N -1 1 300.282 0.505 20 0 DCADMM CCc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc(=O)[nH]1 ZINC001590881127 1167043651 /nfs/dbraw/zinc/04/36/51/1167043651.db2.gz MXEFZMPQNKRHOS-UHFFFAOYSA-N -1 1 300.282 0.505 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(C(=O)OC)CC2)n1 ZINC001590905609 1167045691 /nfs/dbraw/zinc/04/56/91/1167045691.db2.gz FIGIVFDCKQSBDV-UHFFFAOYSA-N -1 1 317.353 0.609 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(C(=O)OC)CC2)n1 ZINC001590905609 1167045693 /nfs/dbraw/zinc/04/56/93/1167045693.db2.gz FIGIVFDCKQSBDV-UHFFFAOYSA-N -1 1 317.353 0.609 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(CCOC)CCOC)n1 ZINC001590904828 1167047250 /nfs/dbraw/zinc/04/72/50/1167047250.db2.gz JIILCLVMHOCZQZ-UHFFFAOYSA-N -1 1 307.358 0.318 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(CCOC)CCOC)n1 ZINC001590904828 1167047257 /nfs/dbraw/zinc/04/72/57/1167047257.db2.gz JIILCLVMHOCZQZ-UHFFFAOYSA-N -1 1 307.358 0.318 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(CCCOC)CCOC)n1 ZINC001590905260 1167047331 /nfs/dbraw/zinc/04/73/31/1167047331.db2.gz YOBQHDKBTYVHGE-UHFFFAOYSA-N -1 1 321.385 0.708 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(CCCOC)CCOC)n1 ZINC001590905260 1167047336 /nfs/dbraw/zinc/04/73/36/1167047336.db2.gz YOBQHDKBTYVHGE-UHFFFAOYSA-N -1 1 321.385 0.708 20 0 DCADMM CCc1nc(N[C@H](CO)[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001590915725 1167048202 /nfs/dbraw/zinc/04/82/02/1167048202.db2.gz FVOZZUIWPRLOBL-GXSJLCMTSA-N -1 1 319.369 0.419 20 0 DCADMM CCc1nc(N[C@H](CO)[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001590915725 1167048208 /nfs/dbraw/zinc/04/82/08/1167048208.db2.gz FVOZZUIWPRLOBL-GXSJLCMTSA-N -1 1 319.369 0.419 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)OC)CC2)n1 ZINC001590908290 1167048299 /nfs/dbraw/zinc/04/82/99/1167048299.db2.gz OIOCLWKTNBAPCQ-UHFFFAOYSA-N -1 1 318.341 0.108 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)OC)CC2)n1 ZINC001590908290 1167048304 /nfs/dbraw/zinc/04/83/04/1167048304.db2.gz OIOCLWKTNBAPCQ-UHFFFAOYSA-N -1 1 318.341 0.108 20 0 DCADMM CCc1nn(CC(=O)[C@@H]2C[C@@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929568 1167054501 /nfs/dbraw/zinc/05/45/01/1167054501.db2.gz WXCKQWTVOGKYLG-WCBMZHEXSA-N -1 1 316.365 0.773 20 0 DCADMM CCc1nnc(NC(=O)c2cccc(-c3nnn[n-]3)n2)s1 ZINC001590931531 1167054973 /nfs/dbraw/zinc/05/49/73/1167054973.db2.gz DSXTXCWOBTYTMB-UHFFFAOYSA-N -1 1 302.323 0.928 20 0 DCADMM CCc1nnc(NC(=O)c2cccc(-c3nn[n-]n3)n2)s1 ZINC001590931531 1167054979 /nfs/dbraw/zinc/05/49/79/1167054979.db2.gz DSXTXCWOBTYTMB-UHFFFAOYSA-N -1 1 302.323 0.928 20 0 DCADMM CCc1nnc(SCc2nc(-c3nnn[n-]3)cs2)n1N ZINC001590933436 1167055137 /nfs/dbraw/zinc/05/51/37/1167055137.db2.gz SCECJVGKKDXMQA-UHFFFAOYSA-N -1 1 309.384 0.483 20 0 DCADMM CCc1nnc(SCc2nc(-c3nn[n-]n3)cs2)n1N ZINC001590933436 1167055144 /nfs/dbraw/zinc/05/51/44/1167055144.db2.gz SCECJVGKKDXMQA-UHFFFAOYSA-N -1 1 309.384 0.483 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC001590949677 1167056166 /nfs/dbraw/zinc/05/61/66/1167056166.db2.gz KRAZHHDBMDFELU-UHFFFAOYSA-N -1 1 316.296 0.397 20 0 DCADMM CCn1cc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)nn1 ZINC001590951543 1167056268 /nfs/dbraw/zinc/05/62/68/1167056268.db2.gz CJEQWAPDCWGZCG-ZETCQYMHSA-N -1 1 303.282 0.989 20 0 DCADMM CCn1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)cn1 ZINC001590955115 1167058271 /nfs/dbraw/zinc/05/82/71/1167058271.db2.gz NNSUTEKMZHEEAA-UHFFFAOYSA-N -1 1 309.311 0.477 20 0 DCADMM CCn1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC001590959585 1167058477 /nfs/dbraw/zinc/05/84/77/1167058477.db2.gz NMDLVENVZJLONI-UHFFFAOYSA-N -1 1 302.302 0.461 20 0 DCADMM CCn1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC001590959585 1167058481 /nfs/dbraw/zinc/05/84/81/1167058481.db2.gz NMDLVENVZJLONI-UHFFFAOYSA-N -1 1 302.302 0.461 20 0 DCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)cc1=O)c1ccccc1 ZINC001590986235 1167065860 /nfs/dbraw/zinc/06/58/60/1167065860.db2.gz CIUINNGKMPAPKE-UHFFFAOYSA-N -1 1 311.305 0.086 20 0 DCADMM CN1C(=O)CCC[C@H]1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001591164263 1167121972 /nfs/dbraw/zinc/12/19/72/1167121972.db2.gz MCURKRXSWGKQGX-QMMMGPOBSA-N -1 1 322.350 0.377 20 0 DCADMM CN1C(=O)CCC[C@H]1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001591164263 1167121977 /nfs/dbraw/zinc/12/19/77/1167121977.db2.gz MCURKRXSWGKQGX-QMMMGPOBSA-N -1 1 322.350 0.377 20 0 DCADMM CN1C(=O)CC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001591163643 1167122010 /nfs/dbraw/zinc/12/20/10/1167122010.db2.gz PSXWDPLVPHIQBY-MRVPVSSYSA-N -1 1 307.335 0.592 20 0 DCADMM CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591203252 1167149558 /nfs/dbraw/zinc/14/95/58/1167149558.db2.gz CCJTWJDEEHYZAB-QWRGUYRKSA-N -1 1 301.354 0.319 20 0 DCADMM CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591203252 1167149559 /nfs/dbraw/zinc/14/95/59/1167149559.db2.gz CCJTWJDEEHYZAB-QWRGUYRKSA-N -1 1 301.354 0.319 20 0 DCADMM CNC(=O)CN(C)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001591208680 1167158096 /nfs/dbraw/zinc/15/80/96/1167158096.db2.gz QTJKJHHZTYKECG-UHFFFAOYSA-N -1 1 315.259 0.463 20 0 DCADMM CNC(=O)CN(C)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001591208680 1167158097 /nfs/dbraw/zinc/15/80/97/1167158097.db2.gz QTJKJHHZTYKECG-UHFFFAOYSA-N -1 1 315.259 0.463 20 0 DCADMM COC(=O)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)CC1CC1 ZINC001591233197 1167171152 /nfs/dbraw/zinc/17/11/52/1167171152.db2.gz TUMCBQLHBHTYDW-SECBINFHSA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)CC1CC1 ZINC001591233197 1167171162 /nfs/dbraw/zinc/17/11/62/1167171162.db2.gz TUMCBQLHBHTYDW-SECBINFHSA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)C1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001591242237 1167172362 /nfs/dbraw/zinc/17/23/62/1167172362.db2.gz KENZBAXZAWILFE-UHFFFAOYSA-N -1 1 307.335 0.498 20 0 DCADMM COC(=O)C12CC(C1)CN2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591246068 1167175482 /nfs/dbraw/zinc/17/54/82/1167175482.db2.gz NZVMREDNIOWBAD-UHFFFAOYSA-N -1 1 314.305 0.039 20 0 DCADMM COC(=O)C12CC(C1)CN2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591246068 1167175485 /nfs/dbraw/zinc/17/54/85/1167175485.db2.gz NZVMREDNIOWBAD-UHFFFAOYSA-N -1 1 314.305 0.039 20 0 DCADMM COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001591248247 1167176936 /nfs/dbraw/zinc/17/69/36/1167176936.db2.gz KJRFKIMJVSBFFR-VXNVDRBHSA-N -1 1 309.351 0.036 20 0 DCADMM COC(=O)[C@H]1[C@@H](O)CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001591250782 1167177637 /nfs/dbraw/zinc/17/76/37/1167177637.db2.gz URUAFOGYCGXXMA-GXSJLCMTSA-N -1 1 323.378 0.427 20 0 DCADMM COC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001591275467 1167194245 /nfs/dbraw/zinc/19/42/45/1167194245.db2.gz HQTVBEHYKLLDEM-ZETCQYMHSA-N -1 1 322.350 0.499 20 0 DCADMM COC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001591275467 1167194250 /nfs/dbraw/zinc/19/42/50/1167194250.db2.gz HQTVBEHYKLLDEM-ZETCQYMHSA-N -1 1 322.350 0.499 20 0 DCADMM COC(=O)c1cc(Cn2cncc(-c3nn[n-]n3)c2=O)c(C)o1 ZINC001591288594 1167199970 /nfs/dbraw/zinc/19/99/70/1167199970.db2.gz BYJKNXUCPXUWEJ-UHFFFAOYSA-N -1 1 316.277 0.160 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCOC(C)C)c1 ZINC001591285302 1167201926 /nfs/dbraw/zinc/20/19/26/1167201926.db2.gz HLBGQJDDUGKEED-UHFFFAOYSA-N -1 1 307.310 0.240 20 0 DCADMM COC(=O)c1cc(COc2ccc(F)nc2-c2nn[n-]n2)on1 ZINC001591289094 1167202076 /nfs/dbraw/zinc/20/20/76/1167202076.db2.gz OIEOJHVEZPQGBV-UHFFFAOYSA-N -1 1 320.240 0.754 20 0 DCADMM COC(=O)c1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)n1 ZINC001591293904 1167203352 /nfs/dbraw/zinc/20/33/52/1167203352.db2.gz ROJFMGDXVBCMQY-UHFFFAOYSA-N -1 1 304.310 0.009 20 0 DCADMM COC(=O)c1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)n1 ZINC001591293904 1167203355 /nfs/dbraw/zinc/20/33/55/1167203355.db2.gz ROJFMGDXVBCMQY-UHFFFAOYSA-N -1 1 304.310 0.009 20 0 DCADMM COC(=O)c1ccc(NC[C@@H](CO)C(C)C)c(-c2nnn[n-]2)n1 ZINC001591295381 1167204568 /nfs/dbraw/zinc/20/45/68/1167204568.db2.gz DHNRWIYSTHFXOU-VIFPVBQESA-N -1 1 320.353 0.725 20 0 DCADMM COC(=O)c1ccc(NC[C@@H](CO)C(C)C)c(-c2nn[n-]n2)n1 ZINC001591295381 1167204577 /nfs/dbraw/zinc/20/45/77/1167204577.db2.gz DHNRWIYSTHFXOU-VIFPVBQESA-N -1 1 320.353 0.725 20 0 DCADMM CO[C@@H](C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1)C1CCC1 ZINC001591316368 1167208589 /nfs/dbraw/zinc/20/85/89/1167208589.db2.gz MIYSVDKOSMTWPT-SNVBAGLBSA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@@H](C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1)C1CCC1 ZINC001591316368 1167208593 /nfs/dbraw/zinc/20/85/93/1167208593.db2.gz MIYSVDKOSMTWPT-SNVBAGLBSA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@@]1(CO)CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591343426 1167225231 /nfs/dbraw/zinc/22/52/31/1167225231.db2.gz UFUUGFZVYZKUIM-ZDUSSCGKSA-N -1 1 307.310 0.073 20 0 DCADMM CO[C@@]1(CO)CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591343426 1167225236 /nfs/dbraw/zinc/22/52/36/1167225236.db2.gz UFUUGFZVYZKUIM-ZDUSSCGKSA-N -1 1 307.310 0.073 20 0 DCADMM CO[C@H]1CC[C@@H]1N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591353092 1167230957 /nfs/dbraw/zinc/23/09/57/1167230957.db2.gz GWBBZHQTRTVPRN-IUCAKERBSA-N -1 1 306.330 0.241 20 0 DCADMM CO[C@H]1CC[C@@H]1N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591353092 1167230964 /nfs/dbraw/zinc/23/09/64/1167230964.db2.gz GWBBZHQTRTVPRN-IUCAKERBSA-N -1 1 306.330 0.241 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)c1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591360137 1167232949 /nfs/dbraw/zinc/23/29/49/1167232949.db2.gz HKDYCWUNXCMWPY-NWDGAFQWSA-N -1 1 304.354 0.810 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)c1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591360137 1167232954 /nfs/dbraw/zinc/23/29/54/1167232954.db2.gz HKDYCWUNXCMWPY-NWDGAFQWSA-N -1 1 304.354 0.810 20 0 DCADMM COCC(C)(C)NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001591369887 1167241052 /nfs/dbraw/zinc/24/10/52/1167241052.db2.gz BGPALEKOLDPJKV-UHFFFAOYSA-N -1 1 321.341 0.817 20 0 DCADMM COC[C@](C)(O)CCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591371650 1167244179 /nfs/dbraw/zinc/24/41/79/1167244179.db2.gz XOWHVNWHFPIHMN-CQSZACIVSA-N -1 1 323.328 0.523 20 0 DCADMM COC[C@](C)(O)CCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591371650 1167244181 /nfs/dbraw/zinc/24/41/81/1167244181.db2.gz XOWHVNWHFPIHMN-CQSZACIVSA-N -1 1 323.328 0.523 20 0 DCADMM COC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001591382638 1167253080 /nfs/dbraw/zinc/25/30/80/1167253080.db2.gz LLTPHSZYTUKETE-LLVKDONJSA-N -1 1 305.342 0.510 20 0 DCADMM COC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC001591382638 1167253085 /nfs/dbraw/zinc/25/30/85/1167253085.db2.gz LLTPHSZYTUKETE-LLVKDONJSA-N -1 1 305.342 0.510 20 0 DCADMM COC[C@H]1CCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591392547 1167262400 /nfs/dbraw/zinc/26/24/00/1167262400.db2.gz KTWTVWTWKVFXRC-GFCCVEGCSA-N -1 1 316.365 0.832 20 0 DCADMM COC[C@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591392547 1167262409 /nfs/dbraw/zinc/26/24/09/1167262409.db2.gz KTWTVWTWKVFXRC-GFCCVEGCSA-N -1 1 316.365 0.832 20 0 DCADMM COCC[C@](C)(O)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591398246 1167265946 /nfs/dbraw/zinc/26/59/46/1167265946.db2.gz SBEOWJHRAOMAOM-AWEZNQCLSA-N -1 1 319.369 0.734 20 0 DCADMM COCC[C@](C)(O)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591398246 1167265955 /nfs/dbraw/zinc/26/59/55/1167265955.db2.gz SBEOWJHRAOMAOM-AWEZNQCLSA-N -1 1 319.369 0.734 20 0 DCADMM COCC[C@H](COC)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591399104 1167268121 /nfs/dbraw/zinc/26/81/21/1167268121.db2.gz OLWFUNVLHSQTMJ-SNVBAGLBSA-N -1 1 306.326 0.043 20 0 DCADMM COCC[C@H](COC)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591399104 1167268126 /nfs/dbraw/zinc/26/81/26/1167268126.db2.gz OLWFUNVLHSQTMJ-SNVBAGLBSA-N -1 1 306.326 0.043 20 0 DCADMM COCCCOCC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001591418509 1167277431 /nfs/dbraw/zinc/27/74/31/1167277431.db2.gz QOMVBMFGTVCELP-UHFFFAOYSA-N -1 1 322.325 0.262 20 0 DCADMM COCCN(Cc1ccccn1)c1ccnc(-c2nn[n-]n2)n1 ZINC001591427833 1167282083 /nfs/dbraw/zinc/28/20/83/1167282083.db2.gz KFEYBAMNTFLAER-UHFFFAOYSA-N -1 1 312.337 0.705 20 0 DCADMM COCCOC1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001591434902 1167286802 /nfs/dbraw/zinc/28/68/02/1167286802.db2.gz XNXZYHKMJWALKG-UHFFFAOYSA-N -1 1 316.774 0.828 20 0 DCADMM COCCOCCCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591438423 1167290116 /nfs/dbraw/zinc/29/01/16/1167290116.db2.gz PIWMSFGYJFILHK-UHFFFAOYSA-N -1 1 321.341 0.436 20 0 DCADMM COCCOCCCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591438423 1167290121 /nfs/dbraw/zinc/29/01/21/1167290121.db2.gz PIWMSFGYJFILHK-UHFFFAOYSA-N -1 1 321.341 0.436 20 0 DCADMM COCc1nnc(CCOC(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001591461251 1167297140 /nfs/dbraw/zinc/29/71/40/1167297140.db2.gz AIZMXEQANNGUNS-UHFFFAOYSA-N -1 1 320.265 0.389 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1C[C@H]1C[C@]12CCOC2 ZINC001591473909 1167304558 /nfs/dbraw/zinc/30/45/58/1167304558.db2.gz RRFZNWGBDVDWQD-OTYXRUKQSA-N -1 1 303.322 0.464 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1nc(C)c(C)o1 ZINC001591474566 1167305325 /nfs/dbraw/zinc/30/53/25/1167305325.db2.gz GDBZVJSKSKGAPP-UHFFFAOYSA-N -1 1 302.294 0.690 20 0 DCADMM COc1ccncc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591656300 1167340394 /nfs/dbraw/zinc/34/03/94/1167340394.db2.gz WXQNQJMVVMJRBC-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1ccncc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591656300 1167340400 /nfs/dbraw/zinc/34/04/00/1167340400.db2.gz WXQNQJMVVMJRBC-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1ccnc(CNc2ccnc(-c3nnn[n-]3)c2)c1F ZINC001591656199 1167340802 /nfs/dbraw/zinc/34/08/02/1167340802.db2.gz XTDZEDQLFGGMQD-UHFFFAOYSA-N -1 1 301.285 0.838 20 0 DCADMM COc1ccnc(CNc2ccnc(-c3nn[n-]n3)c2)c1F ZINC001591656199 1167340805 /nfs/dbraw/zinc/34/08/05/1167340805.db2.gz XTDZEDQLFGGMQD-UHFFFAOYSA-N -1 1 301.285 0.838 20 0 DCADMM COc1ncc(NC(=O)C(C)(C)NC(C)=O)cc1-c1nn[n-]n1 ZINC001591663917 1167344534 /nfs/dbraw/zinc/34/45/34/1167344534.db2.gz ZRKLQHTVLRYPAC-UHFFFAOYSA-N -1 1 319.325 0.124 20 0 DCADMM CS(=O)(=O)[C@H]1CCCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001591673344 1167348255 /nfs/dbraw/zinc/34/82/55/1167348255.db2.gz JGUYARFAUNHUHQ-VIFPVBQESA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@H]1CCCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001591673344 1167348260 /nfs/dbraw/zinc/34/82/60/1167348260.db2.gz JGUYARFAUNHUHQ-VIFPVBQESA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591673744 1167349126 /nfs/dbraw/zinc/34/91/26/1167349126.db2.gz MOGUFGBZPYIDGT-SNVBAGLBSA-N -1 1 322.394 0.665 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591673744 1167349134 /nfs/dbraw/zinc/34/91/34/1167349134.db2.gz MOGUFGBZPYIDGT-SNVBAGLBSA-N -1 1 322.394 0.665 20 0 DCADMM CS(=O)(=O)C[C@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001591673994 1167349381 /nfs/dbraw/zinc/34/93/81/1167349381.db2.gz YYRLNJQHNHIEHZ-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)C[C@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001591673994 1167349388 /nfs/dbraw/zinc/34/93/88/1167349388.db2.gz YYRLNJQHNHIEHZ-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM CSC[C@@H](C)COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591694592 1167356511 /nfs/dbraw/zinc/35/65/11/1167356511.db2.gz IDNJZXUATFMRLD-YUMQZZPRSA-N -1 1 311.371 0.562 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C=C1CCC1 ZINC001591727485 1167362382 /nfs/dbraw/zinc/36/23/82/1167362382.db2.gz SMXZJTKQOPGWNX-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C=C1CCC1 ZINC001591727485 1167362384 /nfs/dbraw/zinc/36/23/84/1167362384.db2.gz SMXZJTKQOPGWNX-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H]1C[C@H](O)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591757372 1167366516 /nfs/dbraw/zinc/36/65/16/1167366516.db2.gz ATWNRYRJNIMQSF-BDAKNGLRSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H]1C[C@H](O)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591757372 1167366520 /nfs/dbraw/zinc/36/65/20/1167366520.db2.gz ATWNRYRJNIMQSF-BDAKNGLRSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H]1C[C@H](CO)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591757842 1167366770 /nfs/dbraw/zinc/36/67/70/1167366770.db2.gz VJTBVFCJKLXUMP-NXEZZACHSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1C[C@H](CO)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591757842 1167366776 /nfs/dbraw/zinc/36/67/76/1167366776.db2.gz VJTBVFCJKLXUMP-NXEZZACHSA-N -1 1 302.338 0.495 20 0 DCADMM Cc1[nH]nc(C(F)F)c1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001591792909 1167381908 /nfs/dbraw/zinc/38/19/08/1167381908.db2.gz IJJVYIDZDKMUKH-UHFFFAOYSA-N -1 1 324.255 0.066 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCCCCO ZINC001591836027 1167390945 /nfs/dbraw/zinc/39/09/45/1167390945.db2.gz UYRSITRAAJJYFF-UHFFFAOYSA-N -1 1 306.326 0.168 20 0 DCADMM Cc1noc(CCCn2cc(C)cc(-c3nn[n-]n3)c2=O)n1 ZINC001591837350 1167391335 /nfs/dbraw/zinc/39/13/35/1167391335.db2.gz YWYYRZIPTPPWLV-UHFFFAOYSA-N -1 1 301.310 0.661 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@]3(CCCOC3)C2)n1 ZINC001591888267 1167410688 /nfs/dbraw/zinc/41/06/88/1167410688.db2.gz HVWPGQOYEJUXRE-CQSZACIVSA-N -1 1 317.353 0.351 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@]3(CCCOC3)C2)n1 ZINC001591888267 1167410691 /nfs/dbraw/zinc/41/06/91/1167410691.db2.gz HVWPGQOYEJUXRE-CQSZACIVSA-N -1 1 317.353 0.351 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(C(=O)OC(C)(C)C)C2)n1 ZINC001591884410 1167410725 /nfs/dbraw/zinc/41/07/25/1167410725.db2.gz ZDDOUSQCWIABMI-UHFFFAOYSA-N -1 1 317.353 0.743 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(C(=O)OC(C)(C)C)C2)n1 ZINC001591884410 1167410728 /nfs/dbraw/zinc/41/07/28/1167410728.db2.gz ZDDOUSQCWIABMI-UHFFFAOYSA-N -1 1 317.353 0.743 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCc3nn(C)c(=O)cc3C2)c1 ZINC001591888532 1167411756 /nfs/dbraw/zinc/41/17/56/1167411756.db2.gz KDMMZCXQKMHOJC-UHFFFAOYSA-N -1 1 324.348 0.227 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCc3nn(C)c(=O)cc3C2)c1 ZINC001591888532 1167411759 /nfs/dbraw/zinc/41/17/59/1167411759.db2.gz KDMMZCXQKMHOJC-UHFFFAOYSA-N -1 1 324.348 0.227 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)n1 ZINC001591892496 1167414409 /nfs/dbraw/zinc/41/44/09/1167414409.db2.gz PBDCEELVWQLCAM-ZOFUNIGCSA-N -1 1 314.353 0.386 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)n1 ZINC001591892496 1167414413 /nfs/dbraw/zinc/41/44/13/1167414413.db2.gz PBDCEELVWQLCAM-ZOFUNIGCSA-N -1 1 314.353 0.386 20 0 DCADMM Cc1cc(N(CCO)C2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001591999216 1167432557 /nfs/dbraw/zinc/43/25/57/1167432557.db2.gz PZKSPAIZYWGAIQ-UHFFFAOYSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(N(CCO)C2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001591999216 1167432562 /nfs/dbraw/zinc/43/25/62/1167432562.db2.gz PZKSPAIZYWGAIQ-UHFFFAOYSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc(-c2nnn[n-]2)n1 ZINC001592036279 1167441688 /nfs/dbraw/zinc/44/16/88/1167441688.db2.gz POIMGLKDBXXWHS-RLCGTCKNSA-N -1 1 313.365 0.413 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc(-c2nn[n-]n2)n1 ZINC001592036279 1167441690 /nfs/dbraw/zinc/44/16/90/1167441690.db2.gz POIMGLKDBXXWHS-RLCGTCKNSA-N -1 1 313.365 0.413 20 0 DCADMM Cc1cc(NCCC(=O)N2CCOCC2)nc(-c2nnn[n-]2)c1 ZINC001592046029 1167443746 /nfs/dbraw/zinc/44/37/46/1167443746.db2.gz FPIKHBKZFIAMBX-UHFFFAOYSA-N -1 1 317.353 0.231 20 0 DCADMM Cc1cc(NCCC(=O)N2CCOCC2)nc(-c2nn[n-]n2)c1 ZINC001592046029 1167443747 /nfs/dbraw/zinc/44/37/47/1167443747.db2.gz FPIKHBKZFIAMBX-UHFFFAOYSA-N -1 1 317.353 0.231 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCCS(=O)(=O)C1 ZINC001592115130 1167457854 /nfs/dbraw/zinc/45/78/54/1167457854.db2.gz YXWDUFLCPOJAPO-SNVBAGLBSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(Cn2cnc(-c3nn[n-]n3)cc2=O)c(Cl)n1 ZINC001592172014 1167468305 /nfs/dbraw/zinc/46/83/05/1167468305.db2.gz VJJNKOUKGDREQI-UHFFFAOYSA-N -1 1 303.713 0.829 20 0 DCADMM Cc1ccc(N2CCN3C(=O)OC[C@@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592176242 1167470205 /nfs/dbraw/zinc/47/02/05/1167470205.db2.gz RMCIZRBZUXPHDR-VIFPVBQESA-N -1 1 301.310 0.211 20 0 DCADMM Cc1ccc(N2CCN3C(=O)OC[C@@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592176242 1167470209 /nfs/dbraw/zinc/47/02/09/1167470209.db2.gz RMCIZRBZUXPHDR-VIFPVBQESA-N -1 1 301.310 0.211 20 0 DCADMM Cc1ccc(NC[C@H](O)c2ccnn2C)nc1-c1nnn[n-]1 ZINC001592182807 1167470435 /nfs/dbraw/zinc/47/04/35/1167470435.db2.gz AJIFHEHBJGJYMQ-JTQLQIEISA-N -1 1 300.326 0.449 20 0 DCADMM Cc1ccc(NC[C@H](O)c2ccnn2C)nc1-c1nn[n-]n1 ZINC001592182807 1167470438 /nfs/dbraw/zinc/47/04/38/1167470438.db2.gz AJIFHEHBJGJYMQ-JTQLQIEISA-N -1 1 300.326 0.449 20 0 DCADMM Cc1ccc(N2CCN(C(C)C)C(=O)C2)nc1-c1nnn[n-]1 ZINC001592176340 1167470564 /nfs/dbraw/zinc/47/05/64/1167470564.db2.gz KCDMUZRCGBINLE-UHFFFAOYSA-N -1 1 301.354 0.627 20 0 DCADMM Cc1ccc(N2CCN(C(C)C)C(=O)C2)nc1-c1nn[n-]n1 ZINC001592176340 1167470571 /nfs/dbraw/zinc/47/05/71/1167470571.db2.gz KCDMUZRCGBINLE-UHFFFAOYSA-N -1 1 301.354 0.627 20 0 DCADMM Cc1ccc(N(C)C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)nc1 ZINC001592175799 1167471019 /nfs/dbraw/zinc/47/10/19/1167471019.db2.gz KYSJNYHAKRUGEG-SECBINFHSA-N -1 1 313.325 0.386 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cnc(C)cn1 ZINC001592292903 1167485670 /nfs/dbraw/zinc/48/56/70/1167485670.db2.gz RNCTWWRNQQTPRV-UHFFFAOYSA-N -1 1 313.321 0.839 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cnc(C)cn1 ZINC001592292903 1167485673 /nfs/dbraw/zinc/48/56/73/1167485673.db2.gz RNCTWWRNQQTPRV-UHFFFAOYSA-N -1 1 313.321 0.839 20 0 DCADMM Cc1csc(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001592315020 1167486622 /nfs/dbraw/zinc/48/66/22/1167486622.db2.gz WODZTYXTGUZJNL-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1csc(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001592315020 1167486626 /nfs/dbraw/zinc/48/66/26/1167486626.db2.gz WODZTYXTGUZJNL-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1[nH]nc(NC(=O)C[C@@H]2CCCC[C@H]2O)c1-c1nn[n-]n1 ZINC001592328727 1167490331 /nfs/dbraw/zinc/49/03/31/1167490331.db2.gz WDXHKBPUWBHUCZ-DTWKUNHWSA-N -1 1 305.342 0.778 20 0 DCADMM Cc1[nH]nc(NC(=O)Cc2ccc3c[nH]nc3c2)c1-c1nn[n-]n1 ZINC001592329759 1167491034 /nfs/dbraw/zinc/49/10/34/1167491034.db2.gz FTMOANHNAXXNOH-UHFFFAOYSA-N -1 1 323.320 0.956 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCCC[C@H]2[C@H](C)CO)n1 ZINC001592341310 1167496289 /nfs/dbraw/zinc/49/62/89/1167496289.db2.gz PIJAWVCUUOAAGK-SKDRFNHKSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCCC[C@H]2[C@H](C)CO)n1 ZINC001592341310 1167496290 /nfs/dbraw/zinc/49/62/90/1167496290.db2.gz PIJAWVCUUOAAGK-SKDRFNHKSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc([C@@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)no1 ZINC001592354644 1167504989 /nfs/dbraw/zinc/50/49/89/1167504989.db2.gz WJJDXDPTWMPIRI-SSDOTTSWSA-N -1 1 315.293 0.800 20 0 DCADMM Cc1nc([C@@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)no1 ZINC001592354644 1167504997 /nfs/dbraw/zinc/50/49/97/1167504997.db2.gz WJJDXDPTWMPIRI-SSDOTTSWSA-N -1 1 315.293 0.800 20 0 DCADMM Cc1nc(C)c(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)o1 ZINC001592355512 1167505879 /nfs/dbraw/zinc/50/58/79/1167505879.db2.gz GWBDAJKARLWQMM-UHFFFAOYSA-N -1 1 302.298 0.766 20 0 DCADMM Cc1nc(C)c(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)o1 ZINC001592355512 1167505883 /nfs/dbraw/zinc/50/58/83/1167505883.db2.gz GWBDAJKARLWQMM-UHFFFAOYSA-N -1 1 302.298 0.766 20 0 DCADMM Cc1nc(NC[C@@H](CO)[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592384462 1167510206 /nfs/dbraw/zinc/51/02/06/1167510206.db2.gz LPKCVMIJDBBIIU-UWVGGRQHSA-N -1 1 305.342 0.022 20 0 DCADMM Cc1nc(NC[C@@H](CO)[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592384462 1167510210 /nfs/dbraw/zinc/51/02/10/1167510210.db2.gz LPKCVMIJDBBIIU-UWVGGRQHSA-N -1 1 305.342 0.022 20 0 DCADMM Cc1nc2n(n1)C[C@@H](Nc1nc(-c3nn[n-]n3)ccc1C)CC2 ZINC001592405330 1167515090 /nfs/dbraw/zinc/51/50/90/1167515090.db2.gz SAMOLHJZBJUUQW-JTQLQIEISA-N -1 1 311.353 0.897 20 0 DCADMM Cc1nccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)n1 ZINC001592416848 1167516616 /nfs/dbraw/zinc/51/66/16/1167516616.db2.gz ZSBFSVJBARRXMC-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1ncccc1COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592417357 1167517939 /nfs/dbraw/zinc/51/79/39/1167517939.db2.gz WSBKXRHOCRQUHT-VIFPVBQESA-N -1 1 314.309 0.466 20 0 DCADMM Cc1nn(C)c(Cl)c1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592430432 1167519694 /nfs/dbraw/zinc/51/96/94/1167519694.db2.gz DQAZVZRENVRCIH-UHFFFAOYSA-N -1 1 307.705 0.537 20 0 DCADMM Cc1nn(C)c(Cl)c1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592430432 1167519699 /nfs/dbraw/zinc/51/96/99/1167519699.db2.gz DQAZVZRENVRCIH-UHFFFAOYSA-N -1 1 307.705 0.537 20 0 DCADMM Cc1nnc(CC(=O)NCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001592440870 1167524821 /nfs/dbraw/zinc/52/48/21/1167524821.db2.gz DDAFNAZSRMQHIE-UHFFFAOYSA-N -1 1 322.379 0.342 20 0 DCADMM Cc1nnc(CC(=O)NCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001592440870 1167524828 /nfs/dbraw/zinc/52/48/28/1167524828.db2.gz DDAFNAZSRMQHIE-UHFFFAOYSA-N -1 1 322.379 0.342 20 0 DCADMM Cc1nsc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)c1-c1nn[n-]n1 ZINC001592474432 1167533550 /nfs/dbraw/zinc/53/35/50/1167533550.db2.gz JZDONYSVACBNPI-IUCAKERBSA-N -1 1 319.394 0.737 20 0 DCADMM Cc1nsc(N2CC[C@H](C(=O)N(C)C)C2)c1-c1nn[n-]n1 ZINC001592473061 1167534658 /nfs/dbraw/zinc/53/46/58/1167534658.db2.gz JGVBDVBNJLMZTE-QMMMGPOBSA-N -1 1 307.383 0.546 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H](O)COCC1CC1 ZINC001592501492 1167541014 /nfs/dbraw/zinc/54/10/14/1167541014.db2.gz GNSNSMMVCARAHP-JTQLQIEISA-N -1 1 321.337 0.285 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H](O)COCC1CC1 ZINC001592501492 1167541020 /nfs/dbraw/zinc/54/10/20/1167541020.db2.gz GNSNSMMVCARAHP-JTQLQIEISA-N -1 1 321.337 0.285 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCNc1cnccn1 ZINC001592500372 1167541826 /nfs/dbraw/zinc/54/18/26/1167541826.db2.gz FAAVWIZYSRWJQS-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCNc1cnccn1 ZINC001592500372 1167541832 /nfs/dbraw/zinc/54/18/32/1167541832.db2.gz FAAVWIZYSRWJQS-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)Cc1cn(C)nn1 ZINC001592501908 1167542068 /nfs/dbraw/zinc/54/20/68/1167542068.db2.gz WZNUVDBBHOVQAP-SSDOTTSWSA-N -1 1 316.325 0.258 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)Cc1cn(C)nn1 ZINC001592501908 1167542077 /nfs/dbraw/zinc/54/20/77/1167542077.db2.gz WZNUVDBBHOVQAP-SSDOTTSWSA-N -1 1 316.325 0.258 20 0 DCADMM Cc1oc(NC(=O)CN2CCO[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC001592509364 1167543602 /nfs/dbraw/zinc/54/36/02/1167543602.db2.gz DUINSZDHQLPRKU-QMMMGPOBSA-N -1 1 320.353 0.736 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2COC[C@@H]2C2CC2)c1-c1nnn[n-]1 ZINC001592517938 1167546219 /nfs/dbraw/zinc/54/62/19/1167546219.db2.gz YFMZEGSJFSYJFW-MWLCHTKSSA-N -1 1 318.337 0.247 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2COC[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC001592517938 1167546226 /nfs/dbraw/zinc/54/62/26/1167546226.db2.gz YFMZEGSJFSYJFW-MWLCHTKSSA-N -1 1 318.337 0.247 20 0 DCADMM Cc1onc(CC(=O)NC[C@@]2(C)CC2(F)F)c1-c1nnn[n-]1 ZINC001592517888 1167548381 /nfs/dbraw/zinc/54/83/81/1167548381.db2.gz WSEBCGNBTJCQBX-LLVKDONJSA-N -1 1 312.280 0.867 20 0 DCADMM Cc1onc(CC(=O)NC[C@@]2(C)CC2(F)F)c1-c1nn[n-]n1 ZINC001592517888 1167548383 /nfs/dbraw/zinc/54/83/83/1167548383.db2.gz WSEBCGNBTJCQBX-LLVKDONJSA-N -1 1 312.280 0.867 20 0 DCADMM Cn1c(=O)[nH]c(NC2CCC3(CC3)CC2)c(-c2nn[n-]n2)c1=O ZINC001592546093 1167549432 /nfs/dbraw/zinc/54/94/32/1167549432.db2.gz JTFPTVMWQGXCSI-UHFFFAOYSA-N -1 1 317.353 0.801 20 0 DCADMM Cn1c(=O)[nH]c(NCC2C(C)(C)C2(C)C)c(-c2nn[n-]n2)c1=O ZINC001592545636 1167551710 /nfs/dbraw/zinc/55/17/10/1167551710.db2.gz HMQACHIDJRJKSX-UHFFFAOYSA-N -1 1 319.369 0.760 20 0 DCADMM Cn1c(NC(=O)c2ccnc(-c3nnn[n-]3)c2)nc2cccnc21 ZINC001592554862 1167557437 /nfs/dbraw/zinc/55/74/37/1167557437.db2.gz BOFOVEOBXFLWIR-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1c(NC(=O)c2ccnc(-c3nn[n-]n3)c2)nc2cccnc21 ZINC001592554862 1167557443 /nfs/dbraw/zinc/55/74/43/1167557443.db2.gz BOFOVEOBXFLWIR-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1cc(N2CC[C@@H](Nc3cccc(-c4nnn[n-]4)n3)C2)cn1 ZINC001592575225 1167566918 /nfs/dbraw/zinc/56/69/18/1167566918.db2.gz BHSCIJGAHAVNBA-SNVBAGLBSA-N -1 1 311.353 0.686 20 0 DCADMM Cn1cc(N2CC[C@@H](Nc3cccc(-c4nn[n-]n4)n3)C2)cn1 ZINC001592575225 1167566925 /nfs/dbraw/zinc/56/69/25/1167566925.db2.gz BHSCIJGAHAVNBA-SNVBAGLBSA-N -1 1 311.353 0.686 20 0 DCADMM Cn1ccc(CCC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592579748 1167568026 /nfs/dbraw/zinc/56/80/26/1167568026.db2.gz PYLTUTKNEHDVGX-UHFFFAOYSA-N -1 1 317.378 0.911 20 0 DCADMM Cn1cnc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001592587414 1167570428 /nfs/dbraw/zinc/57/04/28/1167570428.db2.gz AZEHCCRKJUVRGQ-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1cnc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001592587414 1167570431 /nfs/dbraw/zinc/57/04/31/1167570431.db2.gz AZEHCCRKJUVRGQ-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001592590797 1167574353 /nfs/dbraw/zinc/57/43/53/1167574353.db2.gz BOXIEURGSOKPIO-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001592590797 1167574361 /nfs/dbraw/zinc/57/43/61/1167574361.db2.gz BOXIEURGSOKPIO-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1C=O ZINC001592593617 1167577186 /nfs/dbraw/zinc/57/71/86/1167577186.db2.gz SEVKIOYSOMHZTP-UHFFFAOYSA-N -1 1 317.334 0.404 20 0 DCADMM Cn1nccc1[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592603866 1167582089 /nfs/dbraw/zinc/58/20/89/1167582089.db2.gz CCODUEDZMCJIHD-QMMMGPOBSA-N -1 1 319.350 0.125 20 0 DCADMM Cn1nccc1[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592603866 1167582094 /nfs/dbraw/zinc/58/20/94/1167582094.db2.gz CCODUEDZMCJIHD-QMMMGPOBSA-N -1 1 319.350 0.125 20 0 DCADMM Fc1cccnc1OCCNc1ncncc1-c1nn[n-]n1 ZINC001592661735 1167591403 /nfs/dbraw/zinc/59/14/03/1167591403.db2.gz WUFSTZRSRVAXMB-UHFFFAOYSA-N -1 1 302.273 0.682 20 0 DCADMM NC(=O)[C@H](C1CC1)N(CC1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001592714434 1167609770 /nfs/dbraw/zinc/60/97/70/1167609770.db2.gz OULNDDIFMFCOFY-ZDUSSCGKSA-N -1 1 313.365 0.742 20 0 DCADMM NC(=O)[C@H](C1CC1)N(CC1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001592714434 1167609772 /nfs/dbraw/zinc/60/97/72/1167609772.db2.gz OULNDDIFMFCOFY-ZDUSSCGKSA-N -1 1 313.365 0.742 20 0 DCADMM NC(=O)c1cccc(OC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001592736941 1167622386 /nfs/dbraw/zinc/62/23/86/1167622386.db2.gz XTIFBNBIPDLOHI-UHFFFAOYSA-N -1 1 310.273 0.580 20 0 DCADMM NC(=O)c1cccc(OC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001592736941 1167622393 /nfs/dbraw/zinc/62/23/93/1167622393.db2.gz XTIFBNBIPDLOHI-UHFFFAOYSA-N -1 1 310.273 0.580 20 0 DCADMM NC(=O)c1cccc(COC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001592736653 1167623348 /nfs/dbraw/zinc/62/33/48/1167623348.db2.gz IEFVDKKDTFEENC-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM NC(=O)c1cccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001592736653 1167623351 /nfs/dbraw/zinc/62/33/51/1167623351.db2.gz IEFVDKKDTFEENC-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@]12CCO[C@H]1CCCC2 ZINC001592753612 1167631122 /nfs/dbraw/zinc/63/11/22/1167631122.db2.gz DCXJJRWJVHGRNK-ZANVPECISA-N -1 1 303.326 0.635 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1nccc2ccsc21 ZINC001592753178 1167631275 /nfs/dbraw/zinc/63/12/75/1167631275.db2.gz QOLAOMXFZNNLEM-UHFFFAOYSA-N -1 1 312.318 0.944 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CSCc1cccnc1 ZINC001592752859 1167632100 /nfs/dbraw/zinc/63/21/00/1167632100.db2.gz CBVRTBIZYXJJGZ-UHFFFAOYSA-N -1 1 316.350 0.614 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C(=O)c1ccc(Cl)s1 ZINC001592753719 1167632135 /nfs/dbraw/zinc/63/21/35/1167632135.db2.gz GMRIYAMLDAXPMG-UHFFFAOYSA-N -1 1 323.725 0.883 20 0 DCADMM O=C(CCC1(O)CCC1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592829150 1167646922 /nfs/dbraw/zinc/64/69/22/1167646922.db2.gz LHXDBRWPKKSQOB-UHFFFAOYSA-N -1 1 308.367 0.635 20 0 DCADMM O=C(CCC1(O)CCC1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592829150 1167646924 /nfs/dbraw/zinc/64/69/24/1167646924.db2.gz LHXDBRWPKKSQOB-UHFFFAOYSA-N -1 1 308.367 0.635 20 0 DCADMM O=C(CCCn1cccn1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592841897 1167650179 /nfs/dbraw/zinc/65/01/79/1167650179.db2.gz MEFIKIILERBXCC-UHFFFAOYSA-N -1 1 312.337 0.555 20 0 DCADMM O=C(CCCn1cccn1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592841897 1167650185 /nfs/dbraw/zinc/65/01/85/1167650185.db2.gz MEFIKIILERBXCC-UHFFFAOYSA-N -1 1 312.337 0.555 20 0 DCADMM O=C(CNCc1nc(-c2nnn[n-]2)cs1)NCC(F)(F)F ZINC001592872783 1167652919 /nfs/dbraw/zinc/65/29/19/1167652919.db2.gz IPQQVGFLILTVGB-UHFFFAOYSA-N -1 1 321.288 0.091 20 0 DCADMM O=C(CNCc1nc(-c2nn[n-]n2)cs1)NCC(F)(F)F ZINC001592872783 1167652922 /nfs/dbraw/zinc/65/29/22/1167652922.db2.gz IPQQVGFLILTVGB-UHFFFAOYSA-N -1 1 321.288 0.091 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)o1)c1cscn1 ZINC001592881773 1167655490 /nfs/dbraw/zinc/65/54/90/1167655490.db2.gz KKQMZRDQPMYWKQ-UHFFFAOYSA-N -1 1 305.275 0.956 20 0 DCADMM O=C(COc1cnc(-c2nn[n-]n2)nc1)c1ccc2c(c1)CCO2 ZINC001592899659 1167661635 /nfs/dbraw/zinc/66/16/35/1167661635.db2.gz FRULEDQFOMRXOV-UHFFFAOYSA-N -1 1 324.300 0.853 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)Nc1cccc(Cl)c1 ZINC001592936497 1167667572 /nfs/dbraw/zinc/66/75/72/1167667572.db2.gz NWJFYXFAHFMZRQ-UHFFFAOYSA-N -1 1 304.701 0.750 20 0 DCADMM O=C(NC1CC1)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592967491 1167676914 /nfs/dbraw/zinc/67/69/14/1167676914.db2.gz PDWLCBLXDNATJA-JTQLQIEISA-N -1 1 314.353 0.302 20 0 DCADMM O=C(NC1CC1)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592967491 1167676921 /nfs/dbraw/zinc/67/69/21/1167676921.db2.gz PDWLCBLXDNATJA-JTQLQIEISA-N -1 1 314.353 0.302 20 0 DCADMM O=C(N[C@H]1CC[S@@](=O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592996825 1167680758 /nfs/dbraw/zinc/68/07/58/1167680758.db2.gz SEMHQSGYDCCATP-MWAODPMSSA-N -1 1 309.326 0.257 20 0 DCADMM O=C(N[C@H]1CC[S@@](=O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592996825 1167680762 /nfs/dbraw/zinc/68/07/62/1167680762.db2.gz SEMHQSGYDCCATP-MWAODPMSSA-N -1 1 309.326 0.257 20 0 DCADMM O=C(NCC1CCC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593029545 1167690617 /nfs/dbraw/zinc/69/06/17/1167690617.db2.gz NBUMFHBVXWTFFU-UHFFFAOYSA-N -1 1 301.310 0.117 20 0 DCADMM O=C(NCC1CCC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593029545 1167690620 /nfs/dbraw/zinc/69/06/20/1167690620.db2.gz NBUMFHBVXWTFFU-UHFFFAOYSA-N -1 1 301.310 0.117 20 0 DCADMM O=C(NCCOC[C@H]1CCOC1)c1coc(-c2nnn[n-]2)c1 ZINC001593097226 1167704723 /nfs/dbraw/zinc/70/47/23/1167704723.db2.gz PNKPOGUVNSUBEK-VIFPVBQESA-N -1 1 307.310 0.243 20 0 DCADMM O=C(NCCOC[C@H]1CCOC1)c1coc(-c2nn[n-]n2)c1 ZINC001593097226 1167704726 /nfs/dbraw/zinc/70/47/26/1167704726.db2.gz PNKPOGUVNSUBEK-VIFPVBQESA-N -1 1 307.310 0.243 20 0 DCADMM O=C(NCCOC(=O)C1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593094520 1167705225 /nfs/dbraw/zinc/70/52/25/1167705225.db2.gz QEZWEPHQQGRYMM-UHFFFAOYSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(NCCOC(=O)C1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593094520 1167705231 /nfs/dbraw/zinc/70/52/31/1167705231.db2.gz QEZWEPHQQGRYMM-UHFFFAOYSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)C1CC2(CCC2)C1 ZINC001593108626 1167712949 /nfs/dbraw/zinc/71/29/49/1167712949.db2.gz AROZVNQYXSJPPC-UHFFFAOYSA-N -1 1 302.342 0.155 20 0 DCADMM O=C(NCc1cc2n(n1)CCCO2)c1coc(-c2nnn[n-]2)c1 ZINC001593124556 1167714656 /nfs/dbraw/zinc/71/46/56/1167714656.db2.gz YEJJYGUQSJHFNV-UHFFFAOYSA-N -1 1 315.293 0.369 20 0 DCADMM O=C(NCc1cc2n(n1)CCCO2)c1coc(-c2nn[n-]n2)c1 ZINC001593124556 1167714662 /nfs/dbraw/zinc/71/46/62/1167714662.db2.gz YEJJYGUQSJHFNV-UHFFFAOYSA-N -1 1 315.293 0.369 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@H]1C[C@@H](O)C1 ZINC001593121615 1167716205 /nfs/dbraw/zinc/71/62/05/1167716205.db2.gz LMCMSSAVLHRWBS-OCAPTIKFSA-N -1 1 309.276 0.532 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@H]1C[C@@H](O)C1 ZINC001593121615 1167716210 /nfs/dbraw/zinc/71/62/10/1167716210.db2.gz LMCMSSAVLHRWBS-OCAPTIKFSA-N -1 1 309.276 0.532 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1CCC[C@H]1O ZINC001593137706 1167720050 /nfs/dbraw/zinc/72/00/50/1167720050.db2.gz QUIMYGJMTVWCME-WCBMZHEXSA-N -1 1 322.394 0.888 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CCc2ccccc2O1 ZINC001593197885 1167734787 /nfs/dbraw/zinc/73/47/87/1167734787.db2.gz QIMFGIQYKUWZAY-LLVKDONJSA-N -1 1 311.305 0.922 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CCc2ccccc2O1 ZINC001593197885 1167734793 /nfs/dbraw/zinc/73/47/93/1167734793.db2.gz QIMFGIQYKUWZAY-LLVKDONJSA-N -1 1 311.305 0.922 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCOC[C@H]1C1CC1 ZINC001593244431 1167743579 /nfs/dbraw/zinc/74/35/79/1167743579.db2.gz QXWJRKZBXWYQNC-NSHDSACASA-N -1 1 315.337 0.904 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCOC[C@H]1C1CC1 ZINC001593244431 1167743582 /nfs/dbraw/zinc/74/35/82/1167743582.db2.gz QXWJRKZBXWYQNC-NSHDSACASA-N -1 1 315.337 0.904 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N1CC[C@@H](CF)C1 ZINC001593242955 1167744436 /nfs/dbraw/zinc/74/44/36/1167744436.db2.gz FLCGCGNMZUWFJS-QMMMGPOBSA-N -1 1 319.300 0.018 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N1CC[C@@H](CF)C1 ZINC001593242955 1167744444 /nfs/dbraw/zinc/74/44/44/1167744444.db2.gz FLCGCGNMZUWFJS-QMMMGPOBSA-N -1 1 319.300 0.018 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1CC[C@H](O)CC1 ZINC001593244090 1167744512 /nfs/dbraw/zinc/74/45/12/1167744512.db2.gz KVLIOYHWMPCJBX-KYZUINATSA-N -1 1 303.326 0.687 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1CC[C@H](O)CC1 ZINC001593244090 1167744521 /nfs/dbraw/zinc/74/45/21/1167744521.db2.gz KVLIOYHWMPCJBX-KYZUINATSA-N -1 1 303.326 0.687 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CCC[C@@H]1CO ZINC001593243791 1167744829 /nfs/dbraw/zinc/74/48/29/1167744829.db2.gz HKSIPGIXGFYGLF-RKDXNWHRSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CCC[C@@H]1CO ZINC001593243791 1167744837 /nfs/dbraw/zinc/74/48/37/1167744837.db2.gz HKSIPGIXGFYGLF-RKDXNWHRSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001593283669 1167758124 /nfs/dbraw/zinc/75/81/24/1167758124.db2.gz CAXFIYQLDQDOTR-MRVPVSSYSA-N -1 1 317.305 0.627 20 0 DCADMM O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001593283669 1167758133 /nfs/dbraw/zinc/75/81/33/1167758133.db2.gz CAXFIYQLDQDOTR-MRVPVSSYSA-N -1 1 317.305 0.627 20 0 DCADMM O=C(OCCO[C@@H]1CCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593290570 1167762847 /nfs/dbraw/zinc/76/28/47/1167762847.db2.gz PPPXLXRZGMACBO-SECBINFHSA-N -1 1 322.296 0.968 20 0 DCADMM O=C(OCCO[C@@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593290570 1167762857 /nfs/dbraw/zinc/76/28/57/1167762857.db2.gz PPPXLXRZGMACBO-SECBINFHSA-N -1 1 322.296 0.968 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1C[C@@H]2COC[C@@H]2C1 ZINC001593327967 1167774354 /nfs/dbraw/zinc/77/43/54/1167774354.db2.gz WSYOQJZYXCKIIZ-DTORHVGOSA-N -1 1 321.287 0.863 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1C[C@@H]2COC[C@@H]2C1 ZINC001593327967 1167774360 /nfs/dbraw/zinc/77/43/60/1167774360.db2.gz WSYOQJZYXCKIIZ-DTORHVGOSA-N -1 1 321.287 0.863 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N(CCO)CC1CC1 ZINC001593329773 1167777075 /nfs/dbraw/zinc/77/70/75/1167777075.db2.gz XLTCBWSACDPUPV-UHFFFAOYSA-N -1 1 323.303 0.989 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N(CCO)CC1CC1 ZINC001593329773 1167777087 /nfs/dbraw/zinc/77/70/87/1167777087.db2.gz XLTCBWSACDPUPV-UHFFFAOYSA-N -1 1 323.303 0.989 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](c2ncon2)C1 ZINC001593337154 1167780076 /nfs/dbraw/zinc/78/00/76/1167780076.db2.gz RYDGSVYLDMSPDJ-VIFPVBQESA-N -1 1 312.293 0.274 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](c2ncon2)C1 ZINC001593337154 1167780083 /nfs/dbraw/zinc/78/00/83/1167780083.db2.gz RYDGSVYLDMSPDJ-VIFPVBQESA-N -1 1 312.293 0.274 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1C[C@H](O)C2(CC2)C1 ZINC001593350623 1167784066 /nfs/dbraw/zinc/78/40/66/1167784066.db2.gz PEFXSQVQUJOXCV-JTQLQIEISA-N -1 1 303.297 0.603 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1C[C@H](O)C2(CC2)C1 ZINC001593350623 1167784069 /nfs/dbraw/zinc/78/40/69/1167784069.db2.gz PEFXSQVQUJOXCV-JTQLQIEISA-N -1 1 303.297 0.603 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCC2(C1)OCCO2 ZINC001593359023 1167784546 /nfs/dbraw/zinc/78/45/46/1167784546.db2.gz TVALJAQATRMOFR-UHFFFAOYSA-N -1 1 316.321 0.241 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCC2(C1)OCCO2 ZINC001593359023 1167784550 /nfs/dbraw/zinc/78/45/50/1167784550.db2.gz TVALJAQATRMOFR-UHFFFAOYSA-N -1 1 316.321 0.241 20 0 DCADMM O=C1C[C@@H]([C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CN1 ZINC001593383260 1167794914 /nfs/dbraw/zinc/79/49/14/1167794914.db2.gz QOKRDTWMADRWII-KOLCDFICSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1C[C@@H]([C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CN1 ZINC001593383260 1167794920 /nfs/dbraw/zinc/79/49/20/1167794920.db2.gz QOKRDTWMADRWII-KOLCDFICSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCCCc1cc(=O)[nH][nH]1)c1ccsc1-c1nnn[n-]1 ZINC001593385787 1167798583 /nfs/dbraw/zinc/79/85/83/1167798583.db2.gz NTOLODSNUJYAMH-UHFFFAOYSA-N -1 1 319.350 0.314 20 0 DCADMM O=C(NCCCc1cc(=O)[nH][nH]1)c1ccsc1-c1nn[n-]n1 ZINC001593385787 1167798588 /nfs/dbraw/zinc/79/85/88/1167798588.db2.gz NTOLODSNUJYAMH-UHFFFAOYSA-N -1 1 319.350 0.314 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1CCC(=O)C1 ZINC001593388026 1167798723 /nfs/dbraw/zinc/79/87/23/1167798723.db2.gz FHSBWGRTRNGLTI-SSDOTTSWSA-N -1 1 301.310 0.775 20 0 DCADMM O=C(OC[C@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593391696 1167804122 /nfs/dbraw/zinc/80/41/22/1167804122.db2.gz VHCPQMGOXRSXHR-SECBINFHSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(OC[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593391696 1167804129 /nfs/dbraw/zinc/80/41/29/1167804129.db2.gz VHCPQMGOXRSXHR-SECBINFHSA-N -1 1 316.321 0.335 20 0 DCADMM O=C1CN(C2CC2)C(=O)N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593397913 1167809811 /nfs/dbraw/zinc/80/98/11/1167809811.db2.gz IGMNMDOQKKBRTG-UHFFFAOYSA-N -1 1 305.323 0.250 20 0 DCADMM O=C1CN(C2CC2)C(=O)N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593397913 1167809820 /nfs/dbraw/zinc/80/98/20/1167809820.db2.gz IGMNMDOQKKBRTG-UHFFFAOYSA-N -1 1 305.323 0.250 20 0 DCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](F)C1 ZINC001593455852 1167848549 /nfs/dbraw/zinc/84/85/49/1167848549.db2.gz ODPBXJOIAZVAEG-ZETCQYMHSA-N -1 1 315.305 0.738 20 0 DCADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CC[C@H](F)C1 ZINC001593459973 1167850210 /nfs/dbraw/zinc/85/02/10/1167850210.db2.gz DHZDMBDPDKJZBT-LURJTMIESA-N -1 1 303.344 0.661 20 0 DCADMM O=S1(=O)CCC(COc2cccnc2-c2nnn[n-]2)CC1 ZINC001593463285 1167855692 /nfs/dbraw/zinc/85/56/92/1167855692.db2.gz GYUUJERXSZTBIB-UHFFFAOYSA-N -1 1 309.351 0.465 20 0 DCADMM O=S1(=O)CCC(COc2cccnc2-c2nn[n-]n2)CC1 ZINC001593463285 1167855700 /nfs/dbraw/zinc/85/57/00/1167855700.db2.gz GYUUJERXSZTBIB-UHFFFAOYSA-N -1 1 309.351 0.465 20 0 DCADMM O=c1[nH]c2ccccc2n1CCNc1ncncc1-c1nn[n-]n1 ZINC001593489127 1167872143 /nfs/dbraw/zinc/87/21/43/1167872143.db2.gz AENDEILBTJWAPA-UHFFFAOYSA-N -1 1 323.320 0.824 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@@H]1CC2(CO1)CCOCC2 ZINC001593494687 1167875175 /nfs/dbraw/zinc/87/51/75/1167875175.db2.gz PHNOEWYTUQYFRQ-JTQLQIEISA-N -1 1 318.337 0.009 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1C[C@H](O)c1ccc(F)cc1 ZINC001593495378 1167880367 /nfs/dbraw/zinc/88/03/67/1167880367.db2.gz XZDSVFIMSJYEQV-LBPRGKRZSA-N -1 1 301.281 0.901 20 0 DCADMM O=c1c(-c2nn[n-]n2)cnc2ncn(CCC3=CCCCC3)n21 ZINC001593495334 1167881213 /nfs/dbraw/zinc/88/12/13/1167881213.db2.gz ZSDGMBFYMCNKHR-UHFFFAOYSA-N -1 1 312.337 0.962 20 0 DCADMM OC1(c2ccc(Nc3ncncc3-c3nn[n-]n3)cc2)COC1 ZINC001593514789 1167893047 /nfs/dbraw/zinc/89/30/47/1167893047.db2.gz UZUXWIKYBFDEOL-UHFFFAOYSA-N -1 1 311.305 0.618 20 0 DCADMM OC[C@@H](Cc1cncs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001593521688 1167898472 /nfs/dbraw/zinc/89/84/72/1167898472.db2.gz YEBSSQLSVKUAAI-SSDOTTSWSA-N -1 1 304.339 0.129 20 0 DCADMM OC[C@@H](Cc1cncs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001593521688 1167898478 /nfs/dbraw/zinc/89/84/78/1167898478.db2.gz YEBSSQLSVKUAAI-SSDOTTSWSA-N -1 1 304.339 0.129 20 0 DCADMM OC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001593524632 1167901079 /nfs/dbraw/zinc/90/10/79/1167901079.db2.gz AQHYNGBTNRERGS-SNVBAGLBSA-N -1 1 301.285 0.363 20 0 DCADMM OCCC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001593529039 1167903196 /nfs/dbraw/zinc/90/31/96/1167903196.db2.gz DOHMNUXQDKMTRE-FGWVZKOKSA-N -1 1 301.354 0.787 20 0 DCADMM OCCC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001593529039 1167903202 /nfs/dbraw/zinc/90/32/02/1167903202.db2.gz DOHMNUXQDKMTRE-FGWVZKOKSA-N -1 1 301.354 0.787 20 0 DCADMM OCCC1C[C@H]2CC[C@@H](C1)N2c1ncncc1-c1nn[n-]n1 ZINC001593530164 1167906362 /nfs/dbraw/zinc/90/63/62/1167906362.db2.gz VNFVCZDPQPZFGA-FGWVZKOKSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1Cc1ccccc1 ZINC001593536155 1167916088 /nfs/dbraw/zinc/91/60/88/1167916088.db2.gz CTKGBIDJRFQQGM-CHWSQXEVSA-N -1 1 323.360 0.697 20 0 DCADMM O[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1Cc1ccccc1 ZINC001593536155 1167916103 /nfs/dbraw/zinc/91/61/03/1167916103.db2.gz CTKGBIDJRFQQGM-CHWSQXEVSA-N -1 1 323.360 0.697 20 0 DCADMM O[C@@H]1CCOC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001593537132 1167917229 /nfs/dbraw/zinc/91/72/29/1167917229.db2.gz FPWJINHDCUGLDP-RFZPGFLSSA-N -1 1 302.747 0.538 20 0 DCADMM O[C@@H]1CCOC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001593537132 1167917246 /nfs/dbraw/zinc/91/72/46/1167917246.db2.gz FPWJINHDCUGLDP-RFZPGFLSSA-N -1 1 302.747 0.538 20 0 DCADMM c1cc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)ncn1 ZINC001593552169 1167933833 /nfs/dbraw/zinc/93/38/33/1167933833.db2.gz PHKYDIIRMGVBCS-SNVBAGLBSA-N -1 1 309.337 0.831 20 0 DCADMM c1cc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)ncn1 ZINC001593552169 1167933837 /nfs/dbraw/zinc/93/38/37/1167933837.db2.gz PHKYDIIRMGVBCS-SNVBAGLBSA-N -1 1 309.337 0.831 20 0 DCADMM c1cn(-c2ccc(CNc3ccnc(-c4nn[n-]n4)n3)cn2)cn1 ZINC001593582033 1167949229 /nfs/dbraw/zinc/94/92/29/1167949229.db2.gz CEARNQQDGCJESI-UHFFFAOYSA-N -1 1 320.320 0.271 20 0 DCADMM c1nc(-c2nn[n-]n2)nn1C[C@@H]1CCC2(CCOCC2)CO1 ZINC001593590094 1167952678 /nfs/dbraw/zinc/95/26/78/1167952678.db2.gz FVXWYUWDDUYQEK-JTQLQIEISA-N -1 1 305.342 0.434 20 0 DCADMM c1coc(-c2nc(CNc3ccnc(-c4nn[n-]n4)n3)no2)c1 ZINC001593589891 1167952708 /nfs/dbraw/zinc/95/27/08/1167952708.db2.gz WPTODOXWDRODMO-UHFFFAOYSA-N -1 1 311.265 0.334 20 0 DCADMM c1nc(-c2nn[n-]n2)nn1CCNc1ncc2c(n1)CCCC2 ZINC001593590880 1167954450 /nfs/dbraw/zinc/95/44/50/1167954450.db2.gz HPBDGDAORXXEMP-UHFFFAOYSA-N -1 1 312.341 0.239 20 0 DCADMM O=C([N-]c1nc2cnccn2n1)c1ncc(Br)cn1 ZINC001597047512 1168001201 /nfs/dbraw/zinc/00/12/01/1168001201.db2.gz HBJRHKMCFPWLTL-UHFFFAOYSA-N -1 1 320.110 0.929 20 0 DCADMM COC(=O)[C@@H](O)C1CCN(Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001598711304 1168026167 /nfs/dbraw/zinc/02/61/67/1168026167.db2.gz HTWRWTCWQIENRB-ZDUSSCGKSA-N -1 1 310.350 0.469 20 0 DCADMM Cc1cc(C)n([C@H](C)CC(=O)N2CCN(CC(=O)[O-])CC2)n1 ZINC001600178423 1168130759 /nfs/dbraw/zinc/13/07/59/1168130759.db2.gz VGMOPJYCVGOTEO-CYBMUJFWSA-N -1 1 308.382 0.680 20 0 DCADMM Cc1cc([C@@H]2CCCCN2C(=O)Cn2cc(C(=O)[O-])nn2)n[nH]1 ZINC001600183162 1168131892 /nfs/dbraw/zinc/13/18/92/1168131892.db2.gz ULOXQBAYGURJAG-LBPRGKRZSA-N -1 1 318.337 0.762 20 0 DCADMM Cc1cc(CN(CCN2CCN(C)CC2)CC(=O)[O-])sn1 ZINC001600190969 1168134232 /nfs/dbraw/zinc/13/42/32/1168134232.db2.gz VKVHALKGLZCDFP-UHFFFAOYSA-N -1 1 312.439 0.586 20 0 DCADMM Cc1cc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])ccc1-n1cncn1 ZINC001600190634 1168134293 /nfs/dbraw/zinc/13/42/93/1168134293.db2.gz OYIUTVWWLIBQPG-UHFFFAOYSA-N -1 1 318.333 0.937 20 0 DCADMM Cc1cc(CN2CCC[C@H](S(N)(=O)=O)C2)ccc1C(=O)[O-] ZINC001600194134 1168135346 /nfs/dbraw/zinc/13/53/46/1168135346.db2.gz AGXZCVOGRRBWQY-LBPRGKRZSA-N -1 1 312.391 0.946 20 0 DCADMM Cc1cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cn2cc[nH+]c12 ZINC001600251280 1168149721 /nfs/dbraw/zinc/14/97/21/1168149721.db2.gz XXAMCTOSXDVEEX-UHFFFAOYSA-N -1 1 320.305 0.494 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N(C)Cc1nnc[nH]1 ZINC001600348971 1168170497 /nfs/dbraw/zinc/17/04/97/1168170497.db2.gz LMKIBVXIGZXJQK-UHFFFAOYSA-N -1 1 317.305 0.408 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCNC[C@H]1C ZINC001600349173 1168170889 /nfs/dbraw/zinc/17/08/89/1168170889.db2.gz BKFDKUHRXVGYTC-SNVBAGLBSA-N -1 1 305.334 0.452 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@](C)(C(N)=O)C1 ZINC001600355041 1168172185 /nfs/dbraw/zinc/17/21/85/1168172185.db2.gz JGYUQLUNTJAHKZ-INIZCTEOSA-N -1 1 319.361 0.829 20 0 DCADMM Cc1ccc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1C(=O)[O-] ZINC001600413355 1168180305 /nfs/dbraw/zinc/18/03/05/1168180305.db2.gz JBDPNPYYWJTQBX-MRXNPFEDSA-N -1 1 317.345 0.867 20 0 DCADMM Cc1ccc(S(=O)(=O)N[C@@H](C)c2nnc[nH]2)c(C(=O)[O-])c1 ZINC001600479268 1168191039 /nfs/dbraw/zinc/19/10/39/1168191039.db2.gz QUIQFGKVVRZCLM-QMMMGPOBSA-N -1 1 310.335 0.851 20 0 DCADMM Cc1cccc([C@@H](O)CN2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001600518533 1168195126 /nfs/dbraw/zinc/19/51/26/1168195126.db2.gz FIXARSMQIOQTJY-KGLIPLIRSA-N -1 1 306.362 0.694 20 0 DCADMM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CCc2nn[nH]n2)c1 ZINC001600515484 1168195456 /nfs/dbraw/zinc/19/54/56/1168195456.db2.gz XXQKWCZMHJJDQY-LLVKDONJSA-N -1 1 303.322 0.773 20 0 DCADMM Cc1cccc(S(=O)(=O)NCCc2nc[nH]n2)c1C(=O)[O-] ZINC001600548957 1168197674 /nfs/dbraw/zinc/19/76/74/1168197674.db2.gz DZPFVTXJLBAKTM-UHFFFAOYSA-N -1 1 310.335 0.332 20 0 DCADMM Cc1nnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)[nH]1 ZINC001600670129 1168240798 /nfs/dbraw/zinc/24/07/98/1168240798.db2.gz AJVKKQGCHLUPHM-DDHJBXDOSA-N -1 1 321.381 0.351 20 0 DCADMM Cc1nc(C2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)C2)n[nH]1 ZINC001600695394 1168254221 /nfs/dbraw/zinc/25/42/21/1168254221.db2.gz UQKPXPCYCLACIJ-UHFFFAOYSA-N -1 1 314.367 0.097 20 0 DCADMM Cc1ncc(CNC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001600736683 1168267481 /nfs/dbraw/zinc/26/74/81/1168267481.db2.gz DJILGLJPHVXIHG-NEPJUHHUSA-N -1 1 304.350 0.244 20 0 DCADMM Cc1nn(C)cc1CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001600775736 1168288280 /nfs/dbraw/zinc/28/82/80/1168288280.db2.gz HKXGTCJPDZBREX-NSHDSACASA-N -1 1 308.382 0.278 20 0 DCADMM Cc1nn(C)cc1CCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001600776036 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QVPXZSXASVTHLK-LURJTMIESA-N -1 1 315.297 0.836 20 0 DCADMM Cc1nc(N[C@@H]2CC[C@H]([S@](C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001606063444 1170066812 /nfs/dbraw/zinc/06/68/12/1170066812.db2.gz PFLYPEWXZIIXOY-HORACTTISA-N -1 1 307.383 0.677 20 0 DCADMM Cc1nc(N[C@@H]2CC[C@H]([S@](C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001606063444 1170066818 /nfs/dbraw/zinc/06/68/18/1170066818.db2.gz PFLYPEWXZIIXOY-HORACTTISA-N -1 1 307.383 0.677 20 0 DCADMM Cc1nc(NC[C@@H]2CCN(C)C(=O)C2)cc(-c2nnn[n-]2)n1 ZINC001606069481 1170068732 /nfs/dbraw/zinc/06/87/32/1170068732.db2.gz JJGFXWPQLWYZLA-SECBINFHSA-N -1 1 302.342 0.245 20 0 DCADMM Cc1nc(NC[C@@H]2CCN(C)C(=O)C2)cc(-c2nn[n-]n2)n1 ZINC001606069481 1170068740 /nfs/dbraw/zinc/06/87/40/1170068740.db2.gz JJGFXWPQLWYZLA-SECBINFHSA-N -1 1 302.342 0.245 20 0 DCADMM CN(CC(=O)N[C@]1(CC(=O)[O-])CCCOC1)[C@@H]1CCSC1 ZINC001606080686 1170070979 /nfs/dbraw/zinc/07/09/79/1170070979.db2.gz KXPJFUFZWDZFJZ-RISCZKNCSA-N -1 1 316.423 0.564 20 0 DCADMM CN(C[C@H](O)COc1ccc(C(=O)[O-])cc1)C(C)(C)C(N)=O ZINC001606095576 1170074700 /nfs/dbraw/zinc/07/47/00/1170074700.db2.gz MVXAFBRYIZXDIR-NSHDSACASA-N -1 1 310.350 0.320 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001606106590 1170077607 /nfs/dbraw/zinc/07/76/07/1170077607.db2.gz BDJMCDGRRLSBGO-SECBINFHSA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001606106590 1170077614 /nfs/dbraw/zinc/07/76/14/1170077614.db2.gz BDJMCDGRRLSBGO-SECBINFHSA-N -1 1 315.341 0.153 20 0 DCADMM Cc1noc(C)c1CCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001606130073 1170088281 /nfs/dbraw/zinc/08/82/81/1170088281.db2.gz DHDGVZNLZVTZGO-UHFFFAOYSA-N -1 1 302.298 0.523 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1noc(C2CC2)n1 ZINC001606169158 1170101492 /nfs/dbraw/zinc/10/14/92/1170101492.db2.gz PNCWESJVEFANRO-UHFFFAOYSA-N -1 1 315.293 0.959 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1noc(C2CC2)n1 ZINC001606169158 1170101498 /nfs/dbraw/zinc/10/14/98/1170101498.db2.gz PNCWESJVEFANRO-UHFFFAOYSA-N -1 1 315.293 0.959 20 0 DCADMM Cc1onc(CC(=O)N(C)CCCCCO)c1-c1nnn[n-]1 ZINC001606178261 1170104829 /nfs/dbraw/zinc/10/48/29/1170104829.db2.gz FSBOZCSTHMXGDC-UHFFFAOYSA-N -1 1 308.342 0.327 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H]2[C@H](C)O)c1-c1nnn[n-]1 ZINC001606179697 1170105182 /nfs/dbraw/zinc/10/51/82/1170105182.db2.gz AFYMAFWAVGKXOB-OIBJUYFYSA-N -1 1 306.326 0.077 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H]2[C@H](C)O)c1-c1nn[n-]n1 ZINC001606179697 1170105188 /nfs/dbraw/zinc/10/51/88/1170105188.db2.gz AFYMAFWAVGKXOB-OIBJUYFYSA-N -1 1 306.326 0.077 20 0 DCADMM CN1C[C@H]2[C@@H](CCN2S(=O)(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001606207962 1170114408 /nfs/dbraw/zinc/11/44/08/1170114408.db2.gz BQNGVQNGSPLCOP-FZMZJTMJSA-N -1 1 324.402 0.851 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCOC3(CCC3)C2)n1 ZINC001606222004 1170120333 /nfs/dbraw/zinc/12/03/33/1170120333.db2.gz WGEIYUNHCVYHPU-SECBINFHSA-N -1 1 317.353 0.888 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCOC3(CCC3)C2)n1 ZINC001606222004 1170120335 /nfs/dbraw/zinc/12/03/35/1170120335.db2.gz WGEIYUNHCVYHPU-SECBINFHSA-N -1 1 317.353 0.888 20 0 DCADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CC[C@H](O)CC1 ZINC001606223574 1170121004 /nfs/dbraw/zinc/12/10/04/1170121004.db2.gz UNHVGUKLCZYTAI-KYZUINATSA-N -1 1 320.357 0.367 20 0 DCADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CC[C@H](O)CC1 ZINC001606223574 1170121005 /nfs/dbraw/zinc/12/10/05/1170121005.db2.gz UNHVGUKLCZYTAI-KYZUINATSA-N -1 1 320.357 0.367 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC[C@@H]2CCCOC2)n1 ZINC001606223197 1170121989 /nfs/dbraw/zinc/12/19/89/1170121989.db2.gz IIQRSGDHFIKWNP-VIFPVBQESA-N -1 1 320.357 0.538 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC[C@@H]2CCCOC2)n1 ZINC001606223197 1170121992 /nfs/dbraw/zinc/12/19/92/1170121992.db2.gz IIQRSGDHFIKWNP-VIFPVBQESA-N -1 1 320.357 0.538 20 0 DCADMM CN1CCCC[C@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606225060 1170122910 /nfs/dbraw/zinc/12/29/10/1170122910.db2.gz VZTZLCBZMIZGDT-JQWIXIFHSA-N -1 1 307.354 0.234 20 0 DCADMM CN(C[C@H]1CCCN1C)S(=O)(=O)CCCCCC(=O)[O-] ZINC001606227749 1170124468 /nfs/dbraw/zinc/12/44/68/1170124468.db2.gz RSUKRGMFXXQRJF-GFCCVEGCSA-N -1 1 306.428 0.987 20 0 DCADMM CN1CCN(C[C@H](O)COc2ccccc2CC(=O)[O-])CC1 ZINC001606239437 1170132434 /nfs/dbraw/zinc/13/24/34/1170132434.db2.gz PXMJNCGCCKPYHR-AWEZNQCLSA-N -1 1 308.378 0.301 20 0 DCADMM CN1CCN(Cc2cccc(C(=O)N3CC[C@@H]3C(=O)[O-])c2)CC1 ZINC001606244746 1170133765 /nfs/dbraw/zinc/13/37/65/1170133765.db2.gz PLLOVDSMKOOFTE-OAHLLOKOSA-N -1 1 317.389 0.733 20 0 DCADMM Cn1ccc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001606249402 1170135227 /nfs/dbraw/zinc/13/52/27/1170135227.db2.gz GYYQMXOTIVDZBF-UHFFFAOYSA-N -1 1 301.285 0.669 20 0 DCADMM Cn1ccc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001606249402 1170135231 /nfs/dbraw/zinc/13/52/31/1170135231.db2.gz GYYQMXOTIVDZBF-UHFFFAOYSA-N -1 1 301.285 0.669 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001606265542 1170141327 /nfs/dbraw/zinc/14/13/27/1170141327.db2.gz FNKBMRCTPJCDIC-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM CNS(=O)(=O)CCN[C@H](C)c1ccccc1OCC(=O)[O-] ZINC001606301937 1170154411 /nfs/dbraw/zinc/15/44/11/1170154411.db2.gz VVWDTZJPDIWLEI-SNVBAGLBSA-N -1 1 316.379 0.350 20 0 DCADMM COC(=O)[C@H](CCC(=O)[O-])N1CCC[C@@](C)(C(=O)OC)C1 ZINC001606333795 1170161958 /nfs/dbraw/zinc/16/19/58/1170161958.db2.gz VMWHYWCKQPNPIB-IINYFYTJSA-N -1 1 301.339 0.668 20 0 DCADMM Fc1ccccc1OCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001606335936 1170162030 /nfs/dbraw/zinc/16/20/30/1170162030.db2.gz ORGQCJJDUOHGAX-UHFFFAOYSA-N -1 1 301.285 0.709 20 0 DCADMM COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001606357839 1170169893 /nfs/dbraw/zinc/16/98/93/1170169893.db2.gz VJUTWLSEYMWDST-MRXNPFEDSA-N -1 1 322.361 0.632 20 0 DCADMM COC(=O)[C@@]1(O)CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001606357839 1170169898 /nfs/dbraw/zinc/16/98/98/1170169898.db2.gz VJUTWLSEYMWDST-MRXNPFEDSA-N -1 1 322.361 0.632 20 0 DCADMM NC(=O)[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001606402565 1170185649 /nfs/dbraw/zinc/18/56/49/1170185649.db2.gz XMPYYEIQQUJNGA-LBPRGKRZSA-N -1 1 313.296 0.461 20 0 DCADMM NC(=O)[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001606402565 1170185654 /nfs/dbraw/zinc/18/56/54/1170185654.db2.gz XMPYYEIQQUJNGA-LBPRGKRZSA-N -1 1 313.296 0.461 20 0 DCADMM NC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cnc2Cl)C1 ZINC001606408649 1170188080 /nfs/dbraw/zinc/18/80/80/1170188080.db2.gz FLUPSMIRFUJZND-QMMMGPOBSA-N -1 1 321.772 0.612 20 0 DCADMM NC(=O)[C@@H]1CCCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001606409653 1170189440 /nfs/dbraw/zinc/18/94/40/1170189440.db2.gz UHLJKTVBUSRSKF-SSDOTTSWSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)[C@@H]1CCCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001606409653 1170189443 /nfs/dbraw/zinc/18/94/43/1170189443.db2.gz UHLJKTVBUSRSKF-SSDOTTSWSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)CCn1ccc(NCc2csc(-c3nn[n-]n3)c2)n1 ZINC001606416075 1170192604 /nfs/dbraw/zinc/19/26/04/1170192604.db2.gz TVWPIAQYRZFFPQ-UHFFFAOYSA-N -1 1 318.366 0.612 20 0 DCADMM COC(=O)[C@H]1CN(Cc2cc(C(=O)[O-])c(C)[nH]2)C[C@@H]1C(=O)OC ZINC001606428893 1170197346 /nfs/dbraw/zinc/19/73/46/1170197346.db2.gz HIQJFCBFVXAMNI-RYUDHWBXSA-N -1 1 324.333 0.415 20 0 DCADMM Nc1ccnc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001606452289 1170208952 /nfs/dbraw/zinc/20/89/52/1170208952.db2.gz MGPWZSDJSRGURW-UHFFFAOYSA-N -1 1 302.323 0.230 20 0 DCADMM Nc1ccnc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001606452289 1170208955 /nfs/dbraw/zinc/20/89/55/1170208955.db2.gz MGPWZSDJSRGURW-UHFFFAOYSA-N -1 1 302.323 0.230 20 0 DCADMM Nc1nnc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)o1 ZINC001606456418 1170211871 /nfs/dbraw/zinc/21/18/71/1170211871.db2.gz QYPZYFINURKRGN-UHFFFAOYSA-N -1 1 300.286 0.111 20 0 DCADMM Nc1nnc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)o1 ZINC001606456418 1170211876 /nfs/dbraw/zinc/21/18/76/1170211876.db2.gz QYPZYFINURKRGN-UHFFFAOYSA-N -1 1 300.286 0.111 20 0 DCADMM O=C(CCC1CCC1)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001606509225 1170223482 /nfs/dbraw/zinc/22/34/82/1170223482.db2.gz YJEPXLLRWFPAAS-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CCC1CCC1)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001606509225 1170223490 /nfs/dbraw/zinc/22/34/90/1170223490.db2.gz YJEPXLLRWFPAAS-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM COC(=O)[C@H]1C[C@@H](C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C1 ZINC001606519852 1170226472 /nfs/dbraw/zinc/22/64/72/1170226472.db2.gz RRCQBOBZLGBCNO-UTUOFQBUSA-N -1 1 312.366 0.193 20 0 DCADMM O=C(CCCF)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001606519597 1170226870 /nfs/dbraw/zinc/22/68/70/1170226870.db2.gz QBRYXPYMOWNIEH-DTORHVGOSA-N -1 1 320.332 0.466 20 0 DCADMM O=C(CCCF)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001606519597 1170226874 /nfs/dbraw/zinc/22/68/74/1170226874.db2.gz QBRYXPYMOWNIEH-DTORHVGOSA-N -1 1 320.332 0.466 20 0 DCADMM O=C(CCNc1ccnc(-c2nn[n-]n2)n1)N1CCCCCC1 ZINC001606523652 1170227714 /nfs/dbraw/zinc/22/77/14/1170227714.db2.gz BHMIQQDVWIKOOX-UHFFFAOYSA-N -1 1 316.369 0.283 20 0 DCADMM O=C(COCc1ccccn1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606569732 1170236771 /nfs/dbraw/zinc/23/67/71/1170236771.db2.gz RCFGYUPCRDFHOT-UHFFFAOYSA-N -1 1 300.282 0.140 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@@](O)(C2CC2)C1 ZINC001606594600 1170238540 /nfs/dbraw/zinc/23/85/40/1170238540.db2.gz JOJFYHZPGIJTNC-HNNXBMFYSA-N -1 1 314.349 0.178 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@@](O)(C2CC2)C1 ZINC001606594600 1170238546 /nfs/dbraw/zinc/23/85/46/1170238546.db2.gz JOJFYHZPGIJTNC-HNNXBMFYSA-N -1 1 314.349 0.178 20 0 DCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)c1c[nH]c2ncccc12 ZINC001606618833 1170243186 /nfs/dbraw/zinc/24/31/86/1170243186.db2.gz KDPSFTBTJPONKA-UHFFFAOYSA-N -1 1 321.300 0.788 20 0 DCADMM O=C(N[C@@H](CO)[C@@H]1CCCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001606635127 1170249268 /nfs/dbraw/zinc/24/92/68/1170249268.db2.gz JBIMGWPMLGZSGG-SCZZXKLOSA-N -1 1 323.378 0.446 20 0 DCADMM CO[C@H](C)c1noc(CN2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1 ZINC001606666067 1170255736 /nfs/dbraw/zinc/25/57/36/1170255736.db2.gz VTPCUXIBTLUWQQ-ISTVAULSSA-N -1 1 311.338 0.700 20 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ZINC001362266057 959033047 /nfs/dbraw/zinc/03/30/47/959033047.db2.gz FJEAMMFRQKOSST-GRYCIOLGSA-N -1 1 321.381 0.885 20 0 DCADMM CCOC(=O)[C@H](NC(=O)c1cnncc1[O-])C1CCOCC1 ZINC001362270413 959040632 /nfs/dbraw/zinc/04/06/32/959040632.db2.gz PUMXBMXCZCZACY-GFCCVEGCSA-N -1 1 309.322 0.270 20 0 DCADMM CCn1nncc1CNC1(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001367994468 959046390 /nfs/dbraw/zinc/04/63/90/959046390.db2.gz XADVLUUNCHNSBZ-UHFFFAOYSA-N -1 1 319.369 0.087 20 0 DCADMM CO[C@@H](C)CCC(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001376881790 959049834 /nfs/dbraw/zinc/04/98/34/959049834.db2.gz VMGXAQUEXPCQTK-MNOVXSKESA-N -1 1 309.366 0.837 20 0 DCADMM COC(=O)c1ccnc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC001362309368 959113677 /nfs/dbraw/zinc/11/36/77/959113677.db2.gz GFTIKLAZUJRXMP-JTQLQIEISA-N -1 1 316.321 0.401 20 0 DCADMM O=C(NCCCNC(=O)c1ncccc1[O-])c1ccsn1 ZINC001491679205 959125754 /nfs/dbraw/zinc/12/57/54/959125754.db2.gz SSPOYUJRDCQREU-UHFFFAOYSA-N -1 1 306.347 0.794 20 0 DCADMM COC(=O)C[C@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CCO1 ZINC001362333819 959162975 /nfs/dbraw/zinc/16/29/75/959162975.db2.gz MQNPZLQSDQGZLK-JTQLQIEISA-N -1 1 321.333 0.464 20 0 DCADMM COCC[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C(N)=O ZINC001362355447 959200213 /nfs/dbraw/zinc/20/02/13/959200213.db2.gz OVWQTNHDIQTFND-ZDUSSCGKSA-N -1 1 318.329 0.871 20 0 DCADMM COc1cc(OC)nc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)n1 ZINC001362359929 959210864 /nfs/dbraw/zinc/21/08/64/959210864.db2.gz VQCXRYYPVFWGMG-QMMMGPOBSA-N -1 1 319.325 0.027 20 0 DCADMM O=C(CCCn1cccc1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001376972539 959231754 /nfs/dbraw/zinc/23/17/54/959231754.db2.gz UCQRFWOVSOIPOB-LBPRGKRZSA-N -1 1 318.381 0.483 20 0 DCADMM COc1coc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1=O ZINC001362370573 959231946 /nfs/dbraw/zinc/23/19/46/959231946.db2.gz PNPKAPHJXDHCOU-ZETCQYMHSA-N -1 1 323.334 0.092 20 0 DCADMM O=C([C@H]1CCn2ccnc2C1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001362372001 959233252 /nfs/dbraw/zinc/23/32/52/959233252.db2.gz 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959477438 /nfs/dbraw/zinc/47/74/38/959477438.db2.gz LHKQPVBRXAQUSE-UHFFFAOYSA-N -1 1 305.338 0.637 20 0 DCADMM CCOC(=O)c1c[n-]c(NC(=O)C2=C3CCCN=C3NN2)n1 ZINC001362533404 959540290 /nfs/dbraw/zinc/54/02/90/959540290.db2.gz LNCORRANLFDVPQ-UHFFFAOYSA-N -1 1 304.310 0.079 20 0 DCADMM C[C@H](O)CN1CCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC001594242523 959541450 /nfs/dbraw/zinc/54/14/50/959541450.db2.gz JZPWNHYVOKUHNU-ZDUSSCGKSA-N -1 1 308.378 0.762 20 0 DCADMM CC(C)n1ncnc1CN(C)CCNC(=O)c1ncccc1[O-] ZINC001377139394 959550667 /nfs/dbraw/zinc/55/06/67/959550667.db2.gz GGRIWNXXIYTDPF-UHFFFAOYSA-N -1 1 318.381 0.821 20 0 DCADMM Cc1nnc([C@H](C)N(C)CCNC(=O)c2ncccc2[O-])o1 ZINC001377142501 959557249 /nfs/dbraw/zinc/55/72/49/959557249.db2.gz XDSASDNOFHXLSV-VIFPVBQESA-N -1 1 305.338 0.901 20 0 DCADMM C[C@H]1CN(C2CCOCC2)CCN1C(=O)CSCC(=O)[O-] ZINC001594245985 959570952 /nfs/dbraw/zinc/57/09/52/959570952.db2.gz PYMOOFOCDJAKQU-NSHDSACASA-N -1 1 316.423 0.516 20 0 DCADMM Nc1nnn(CC(=O)Nc2ccc(Br)c([O-])c2)n1 ZINC001362580159 959640251 /nfs/dbraw/zinc/64/02/51/959640251.db2.gz KBBYUOSURUXKTN-UHFFFAOYSA-N -1 1 313.115 0.362 20 0 DCADMM C[N@H+](CCNC(=O)[C@@H]1CCCO1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001492190415 959674774 /nfs/dbraw/zinc/67/47/74/959674774.db2.gz JIUKJDLVJMFJBV-ZDUSSCGKSA-N -1 1 320.393 0.787 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001362639173 959745563 /nfs/dbraw/zinc/74/55/63/959745563.db2.gz DKVNGORNXBPARF-LURJTMIESA-N -1 1 313.310 0.356 20 0 DCADMM COC(=O)Nc1cccc(CNC(=O)CCc2nn[n-]n2)c1 ZINC001362642780 959752034 /nfs/dbraw/zinc/75/20/34/959752034.db2.gz YSAZPGYQTWQXFQ-UHFFFAOYSA-N -1 1 304.310 0.627 20 0 DCADMM C[C@H]1C(=O)Nc2ccccc2CN1C(=O)CCCc1nn[n-]n1 ZINC001362655525 959775997 /nfs/dbraw/zinc/77/59/97/959775997.db2.gz FRUMDZWFGCBPPH-JTQLQIEISA-N -1 1 314.349 0.892 20 0 DCADMM C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)CCCc1nn[n-]n1 ZINC001362655528 959776854 /nfs/dbraw/zinc/77/68/54/959776854.db2.gz FRUMDZWFGCBPPH-SNVBAGLBSA-N -1 1 314.349 0.892 20 0 DCADMM C[C@@]1(CCC(=O)N2CCSC[C@H]2c2nn[n-]n2)CCC(=O)N1 ZINC001362674049 959807858 /nfs/dbraw/zinc/80/78/58/959807858.db2.gz QCVHIEALRXHXOE-ZANVPECISA-N -1 1 324.410 0.265 20 0 DCADMM Cc1nscc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001368456852 959893620 /nfs/dbraw/zinc/89/36/20/959893620.db2.gz CWOCGIDCSRKZNA-UHFFFAOYSA-N -1 1 322.394 0.718 20 0 DCADMM Cc1nc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n[nH]1 ZINC000392302122 972466971 /nfs/dbraw/zinc/46/69/71/972466971.db2.gz ADDZKIHOCHEOHW-UHFFFAOYSA-N -1 1 314.298 0.429 20 0 DCADMM CN(C)Cc1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)cn1 ZINC001604074899 972467498 /nfs/dbraw/zinc/46/74/98/972467498.db2.gz MVZMBFBATFIRQF-UHFFFAOYSA-N -1 1 303.322 0.677 20 0 DCADMM CCN(CCNC(=O)[C@@H]1CC[C@@H](C)C1)Cc1nc(=O)n(C)[n-]1 ZINC001377334989 959939915 /nfs/dbraw/zinc/93/99/15/959939915.db2.gz CNRMGLNHWPSLRJ-VXGBXAGGSA-N -1 1 309.414 0.483 20 0 DCADMM CC(C)(C)OC(=O)CCC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001362757148 959941647 /nfs/dbraw/zinc/94/16/47/959941647.db2.gz 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960026084 /nfs/dbraw/zinc/02/60/84/960026084.db2.gz CAYMHVVIWJZKSL-JTQLQIEISA-N -1 1 308.338 0.398 20 0 DCADMM Cc1nc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)nn1-c1ccccc1 ZINC001302936770 960036349 /nfs/dbraw/zinc/03/63/49/960036349.db2.gz JSLWXPPSUYBIPT-LLVKDONJSA-N -1 1 324.348 0.719 20 0 DCADMM COc1ncc(C=CC(=O)NC2(c3nn[n-]n3)CCC2)cn1 ZINC001303222744 960044293 /nfs/dbraw/zinc/04/42/93/960044293.db2.gz XAVQUNDXLUDVEI-ARJAWSKDSA-N -1 1 301.310 0.207 20 0 DCADMM COC[C@H](NC(=O)c1ccn(-c2ccccc2)n1)c1nn[n-]n1 ZINC001303577838 960051250 /nfs/dbraw/zinc/05/12/50/960051250.db2.gz DYTRFMITAGVVKN-LBPRGKRZSA-N -1 1 313.321 0.503 20 0 DCADMM COC[C@@H](NC(=O)c1cc2ccccc2[nH]c1=O)c1nn[n-]n1 ZINC001303577816 960052353 /nfs/dbraw/zinc/05/23/53/960052353.db2.gz DNFHZXMJVYHMIX-LLVKDONJSA-N -1 1 314.305 0.571 20 0 DCADMM CC[C@H](O)Cn1cc(C(=O)NC(CC)(CC)c2nn[n-]n2)nn1 ZINC001362854094 960091993 /nfs/dbraw/zinc/09/19/93/960091993.db2.gz HFVYFDJRCZYUSZ-VIFPVBQESA-N -1 1 322.373 0.007 20 0 DCADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cn(C)nc2C(N)=O)c1 ZINC001305698967 960110917 /nfs/dbraw/zinc/11/09/17/960110917.db2.gz NAPNZINPFHUQAZ-UHFFFAOYSA-N -1 1 317.305 0.435 20 0 DCADMM O=C(NN1CC(=O)[N-]C1=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC001306329013 960126424 /nfs/dbraw/zinc/12/64/24/960126424.db2.gz SPYUPGCQCSISBD-UHFFFAOYSA-N -1 1 313.273 0.046 20 0 DCADMM CCOCCCCCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001306473234 960128016 /nfs/dbraw/zinc/12/80/16/960128016.db2.gz LKOKIZOFBBLXRJ-UHFFFAOYSA-N -1 1 304.372 0.744 20 0 DCADMM CCOCCCCCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001306473234 960128019 /nfs/dbraw/zinc/12/80/19/960128019.db2.gz LKOKIZOFBBLXRJ-UHFFFAOYSA-N -1 1 304.372 0.744 20 0 DCADMM CC(C)OCCC(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001377468239 960149556 /nfs/dbraw/zinc/14/95/56/960149556.db2.gz IIHRISFBOFDCAR-NSHDSACASA-N -1 1 309.366 0.837 20 0 DCADMM CCc1cc(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)cc(=O)[nH]1 ZINC001362904035 960155279 /nfs/dbraw/zinc/15/52/79/960155279.db2.gz JLSYIOMMJAIBQH-SNVBAGLBSA-N -1 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Cc1cc[nH]c1C(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001375228747 964151662 /nfs/dbraw/zinc/15/16/62/964151662.db2.gz UBGZBEDEHRKWKN-JTQLQIEISA-N -1 1 304.354 0.445 20 0 DCADMM Cc1cc(C)c(C(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)[nH]1 ZINC001368958769 964193226 /nfs/dbraw/zinc/19/32/26/964193226.db2.gz WCZIGDVGSPGVRN-LLVKDONJSA-N -1 1 320.397 0.304 20 0 DCADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C1=CCOCC1 ZINC001369055770 964345351 /nfs/dbraw/zinc/34/53/51/964345351.db2.gz KVPONGPQBVBAOM-GFCCVEGCSA-N -1 1 323.397 0.622 20 0 DCADMM C[C@H](C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1)C(C)(F)F ZINC001373640313 964410221 /nfs/dbraw/zinc/41/02/21/964410221.db2.gz JAVDZUBNCVOOCW-RKDXNWHRSA-N -1 1 317.340 0.090 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)C[C@H](O)CN(C)C/C=C\Cl)c1[O-] ZINC001369494672 965074643 /nfs/dbraw/zinc/07/46/43/965074643.db2.gz GIVIUWVBUCHKRZ-UMCURTJPSA-N -1 1 316.789 0.541 20 0 DCADMM CCO[C@@H](C)C(=O)NC[C@H](CC)NC(=O)c1ncccc1[O-] ZINC001430535571 1013560997 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DCADMM CCCn1nnnc1CNC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001374884412 966088219 /nfs/dbraw/zinc/08/82/19/966088219.db2.gz RBUXLEPIQJCXAS-JTQLQIEISA-N -1 1 319.369 0.092 20 0 DCADMM Cc1cc(C)cc(CC(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)c1 ZINC001374931086 966151971 /nfs/dbraw/zinc/15/19/71/966151971.db2.gz NYTPOWCDMBJMDM-LBPRGKRZSA-N -1 1 317.393 0.964 20 0 DCADMM Cc1c[nH]nc1C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001370497922 966186380 /nfs/dbraw/zinc/18/63/80/966186380.db2.gz QWOZDKWSLPWKGN-SNVBAGLBSA-N -1 1 317.349 0.709 20 0 DCADMM C[C@@H](NC(=O)c1cc(Cl)no1)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001447909825 1013642422 /nfs/dbraw/zinc/64/24/22/1013642422.db2.gz CEAJBCZZHRBBHD-NTSWFWBYSA-N -1 1 314.733 0.448 20 0 DCADMM Cc1cccc(C(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)n1 ZINC001381497828 966462866 /nfs/dbraw/zinc/46/28/66/966462866.db2.gz BXGHREXZRQQALC-NSHDSACASA-N -1 1 318.381 0.062 20 0 DCADMM Cn1[n-]c(CN2CCCC[C@H]2CNC(=O)C2(C)CCC2)nc1=O ZINC001370870991 966553370 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DCADMM Cc1cnc([C@@H](C)N[C@H](CO)CNC(=O)c2ncccc2[O-])o1 ZINC001382197018 967045606 /nfs/dbraw/zinc/04/56/06/967045606.db2.gz CIGZTQIUKQVORI-MNOVXSKESA-N -1 1 320.349 0.525 20 0 DCADMM CCCn1cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)nn1 ZINC001448007205 1013698610 /nfs/dbraw/zinc/69/86/10/1013698610.db2.gz TZCATUSGAOFWAZ-SECBINFHSA-N -1 1 308.371 0.132 20 0 DCADMM CC[C@@H](CC(F)F)C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1 ZINC001372000142 967535888 /nfs/dbraw/zinc/53/58/88/967535888.db2.gz SKVMDGOUVWQEEJ-VIFPVBQESA-N -1 1 319.356 0.338 20 0 DCADMM C[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)N1CCCC1 ZINC000211594238 967686098 /nfs/dbraw/zinc/68/60/98/967686098.db2.gz BNALNGLIGFXLSU-NSHDSACASA-N -1 1 319.427 0.102 20 0 DCADMM C[C@H]1CC[C@H](C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)CC1 ZINC001372192063 967732027 /nfs/dbraw/zinc/73/20/27/967732027.db2.gz VNUMAWRIKNJZMM-HAQNSBGRSA-N -1 1 309.414 0.483 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NS(=O)(=O)CC2CC2)n[n-]1 ZINC001475481603 1017113356 /nfs/dbraw/zinc/11/33/56/1017113356.db2.gz 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DCADMM CCc1nnc(C)cc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000317723817 970381696 /nfs/dbraw/zinc/38/16/96/970381696.db2.gz KBYIDALLMZVYRR-GFCCVEGCSA-N -1 1 303.322 0.496 20 0 DCADMM C[C@@H](C(=O)[O-])C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC001609701099 970469555 /nfs/dbraw/zinc/46/95/55/970469555.db2.gz OUCUHNCKQSZYBY-SECBINFHSA-N -1 1 304.306 0.721 20 0 DCADMM C[C@@H](CN(C)C(=O)C[C@@H]1C[C@H]1C1CC1)NCc1n[nH]c(=O)[n-]1 ZINC001448710676 1014006612 /nfs/dbraw/zinc/00/66/12/1014006612.db2.gz JLLWXCXTKUCBRC-DLOVCJGASA-N -1 1 307.398 0.883 20 0 DCADMM C[C@H]1C[C@@H](N2CCCC2)CN1CCS(=O)(=O)CC(=O)[O-] ZINC001610068685 970657400 /nfs/dbraw/zinc/65/74/00/970657400.db2.gz XKDNLOYDBLATPH-NWDGAFQWSA-N -1 1 304.412 0.044 20 0 DCADMM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2n[nH]c(C3CCOCC3)n2)C1 ZINC001605814590 972534919 /nfs/dbraw/zinc/53/49/19/972534919.db2.gz IUDUCLLZWFHXBG-WDEREUQCSA-N -1 1 322.365 0.816 20 0 DCADMM Cc1cccnc1C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001448798497 1014043973 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CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)[C@@H](O)CC ZINC000451976323 417425998 /nfs/dbraw/zinc/42/59/98/417425998.db2.gz MMYCQSYMSHJNEO-BDAKNGLRSA-N -1 1 305.352 0.894 20 0 DCADMM CCC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](C)c2nn[n-]n2)C1 ZINC000570671606 417382025 /nfs/dbraw/zinc/38/20/25/417382025.db2.gz NXJAWRPIHBYXED-QWRGUYRKSA-N -1 1 308.386 0.410 20 0 DCADMM CNS(=O)(=O)CCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000571291932 417440284 /nfs/dbraw/zinc/44/02/84/417440284.db2.gz XCQYTRRUNMDGLH-ZDUSSCGKSA-N -1 1 312.391 0.437 20 0 DCADMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)NC ZINC000452097437 417447882 /nfs/dbraw/zinc/44/78/82/417447882.db2.gz ZJXQCEMYINABMG-SECBINFHSA-N -1 1 310.297 0.907 20 0 DCADMM CCO[C@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])C[C@@H]1C ZINC000452831817 417507151 /nfs/dbraw/zinc/50/71/51/417507151.db2.gz ONHOUTOFKYMFRV-AAEUAGOBSA-N -1 1 321.377 0.791 20 0 DCADMM CCCc1cc(=O)n2[n-]c(NC(=O)CCOCCOC)nc2n1 ZINC000622996058 417523301 /nfs/dbraw/zinc/52/33/01/417523301.db2.gz 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318.308 0.900 20 0 DCADMM Cc1cc(S(=O)(=O)[N-]CC(=O)N2CCCCC2)sn1 ZINC000631745748 417929814 /nfs/dbraw/zinc/92/98/14/417929814.db2.gz RRJMYTBOJGNOPG-UHFFFAOYSA-N -1 1 303.409 0.742 20 0 DCADMM NC(=O)c1ccc(CNC(=O)c2ccc3[nH][n-]c(=O)c3c2)o1 ZINC000646893204 417943072 /nfs/dbraw/zinc/94/30/72/417943072.db2.gz MUXVJXWZJOOZKY-UHFFFAOYSA-N -1 1 300.274 0.890 20 0 DCADMM Cn1nccc1[C@@H](NCc1cnc(N2CCCC2)nc1)C(=O)[O-] ZINC000647467366 418012483 /nfs/dbraw/zinc/01/24/83/418012483.db2.gz AJXPTODDBYBLDS-CYBMUJFWSA-N -1 1 316.365 0.726 20 0 DCADMM CC(C)(CCS(C)(=O)=O)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000653036293 418015676 /nfs/dbraw/zinc/01/56/76/418015676.db2.gz NAZNTWIIAOXMIW-UHFFFAOYSA-N -1 1 313.375 0.904 20 0 DCADMM NC(=O)Cn1cc([N-]c2nc(C3CCOCC3)ns2)cn1 ZINC000663404658 418015873 /nfs/dbraw/zinc/01/58/73/418015873.db2.gz KCWINWWAHWYKMG-UHFFFAOYSA-N -1 1 308.367 0.858 20 0 DCADMM Cc1ccc2c([O-])c(C(=O)NCC[C@]3(O)CCOC3)cnc2n1 ZINC000653039959 418016764 /nfs/dbraw/zinc/01/67/64/418016764.db2.gz 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O=C(c1ncccc1[O-])N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000299588848 229236013 /nfs/dbraw/zinc/23/60/13/229236013.db2.gz CRHKZFJZFCBEKN-GFCCVEGCSA-N -1 1 305.334 0.251 20 0 DCADMM C[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1nnc[nH]1 ZINC000230418223 545947883 /nfs/dbraw/zinc/94/78/83/545947883.db2.gz HKLMIDLUXPPUMA-QMMMGPOBSA-N -1 1 310.335 0.471 20 0 DCADMM CCC(CC)CS(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)OC ZINC000354633830 261249357 /nfs/dbraw/zinc/24/93/57/261249357.db2.gz XYTNQUJJXJFFQT-SNVBAGLBSA-N -1 1 309.384 0.447 20 0 DCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccncc2)c1 ZINC000355013726 261296229 /nfs/dbraw/zinc/29/62/29/261296229.db2.gz JZMUKMKHYBJOAF-UHFFFAOYSA-N -1 1 307.331 0.616 20 0 DCADMM C[C@H](NC(=O)c1c[n-]c2c(cnn2C)c1=O)c1nncn1C ZINC000355702586 261357279 /nfs/dbraw/zinc/35/72/79/261357279.db2.gz OGSDUVZCLBBOQG-ZETCQYMHSA-N -1 1 301.310 0.293 20 0 DCADMM O=C(CS(=O)(=O)c1nc[n-]n1)NCc1cc(F)cc(F)c1 ZINC000356088362 261389745 /nfs/dbraw/zinc/38/97/45/261389745.db2.gz DZJBHTDIWJRMPS-UHFFFAOYSA-N -1 1 316.289 0.173 20 0 DCADMM CN(c1ccn(C)n1)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000357478176 261547078 /nfs/dbraw/zinc/54/70/78/261547078.db2.gz RMORNDJXWPFQGC-UHFFFAOYSA-N -1 1 311.319 0.649 20 0 DCADMM COc1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(OC)c1 ZINC000370857857 262153875 /nfs/dbraw/zinc/15/38/75/262153875.db2.gz PZWSMGJIFVZFLE-GFCCVEGCSA-N -1 1 319.321 0.431 20 0 DCADMM O=C(c1ccc2ccccc2n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370858492 262153923 /nfs/dbraw/zinc/15/39/23/262153923.db2.gz RLCPFHHGYBYJHB-CYBMUJFWSA-N -1 1 310.317 0.962 20 0 DCADMM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@@H]1C(N)=O)c2=O ZINC000411276073 262167846 /nfs/dbraw/zinc/16/78/46/262167846.db2.gz LQNRRFVRWQOEMP-CYBMUJFWSA-N -1 1 315.329 0.627 20 0 DCADMM CC[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])[C@H](O)C(C)C ZINC000412709243 262193225 /nfs/dbraw/zinc/19/32/25/262193225.db2.gz BYRUFUDZXHJTLF-QMTHXVAHSA-N -1 1 309.366 0.429 20 0 DCADMM Cc1noc(C2CC2)c1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001649757680 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308.309 0.783 20 0 DCADMM c1[nH]nc(NCc2cn(-c3ccccc3)nn2)c1-c1nn[n-]n1 ZINC000738425798 598364127 /nfs/dbraw/zinc/36/41/27/598364127.db2.gz OAZKNHKWQVXZFN-UHFFFAOYSA-N -1 1 308.309 0.783 20 0 DCADMM Clc1ccc(NCCN2CCOCC2)nc1-c1nnn[n-]1 ZINC000737575361 598571441 /nfs/dbraw/zinc/57/14/41/598571441.db2.gz RQWKLAKHMCNTFN-UHFFFAOYSA-N -1 1 309.761 0.659 20 0 DCADMM Clc1ccc(NCCN2CCOCC2)nc1-c1nn[n-]n1 ZINC000737575361 598571442 /nfs/dbraw/zinc/57/14/42/598571442.db2.gz RQWKLAKHMCNTFN-UHFFFAOYSA-N -1 1 309.761 0.659 20 0 DCADMM COC1CN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736966168 599334950 /nfs/dbraw/zinc/33/49/50/599334950.db2.gz LZRPKUODNLWSCU-UHFFFAOYSA-N -1 1 322.350 0.160 20 0 DCADMM COCCN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821688955 599340600 /nfs/dbraw/zinc/34/06/00/599340600.db2.gz FGFQXTGNNCUTPA-UHFFFAOYSA-N -1 1 315.330 0.273 20 0 DCADMM COCCN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821688955 599340602 /nfs/dbraw/zinc/34/06/02/599340602.db2.gz FGFQXTGNNCUTPA-UHFFFAOYSA-N -1 1 315.330 0.273 20 0 DCADMM c1cnc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc1 ZINC000738445259 599394626 /nfs/dbraw/zinc/39/46/26/599394626.db2.gz GAKLDFQUMFSJMR-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM c1cnc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC000738445259 599394631 /nfs/dbraw/zinc/39/46/31/599394631.db2.gz GAKLDFQUMFSJMR-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM CCCC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736408954 599416074 /nfs/dbraw/zinc/41/60/74/599416074.db2.gz AQJOHFZVDNKULV-UHFFFAOYSA-N -1 1 301.354 0.710 20 0 DCADMM CCCC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736408954 599416075 /nfs/dbraw/zinc/41/60/75/599416075.db2.gz AQJOHFZVDNKULV-UHFFFAOYSA-N -1 1 301.354 0.710 20 0 DCADMM c1ccc(-n2nnnc2CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000738427973 599432790 /nfs/dbraw/zinc/43/27/90/599432790.db2.gz ZUJVHGRYYAZRKF-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1ccc(-n2nnnc2CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000738427973 599432793 /nfs/dbraw/zinc/43/27/93/599432793.db2.gz ZUJVHGRYYAZRKF-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM O=C1CCCN1[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000738302308 599436972 /nfs/dbraw/zinc/43/69/72/599436972.db2.gz IUUIEKWBQVHRQX-LLVKDONJSA-N -1 1 313.365 0.853 20 0 DCADMM O=C1CCCN1[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000738302308 599436975 /nfs/dbraw/zinc/43/69/75/599436975.db2.gz IUUIEKWBQVHRQX-LLVKDONJSA-N -1 1 313.365 0.853 20 0 DCADMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCNC(=O)[O-])C[C@H](C)O1 ZINC000736810005 599750982 /nfs/dbraw/zinc/75/09/82/599750982.db2.gz MWWJIWKSRWPBMK-FRRDWIJNSA-N -1 1 313.398 0.744 20 0 DCADMM CNC(=O)CCN(C)[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000737537612 599761363 /nfs/dbraw/zinc/76/13/63/599761363.db2.gz VVQCJSXCWQJZGI-NSHDSACASA-N -1 1 321.377 0.457 20 0 DCADMM O=C([O-])c1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000317733032 599770007 /nfs/dbraw/zinc/77/00/07/599770007.db2.gz MFZHCZYUUCDRST-RYUDHWBXSA-N -1 1 305.334 0.373 20 0 DCADMM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)N(C)C1CC1 ZINC000217967791 599777643 /nfs/dbraw/zinc/77/76/43/599777643.db2.gz OAXRDYFISHJMKE-QMMMGPOBSA-N -1 1 302.352 0.739 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CCC[C@H]1CCCO)C(=O)[O-] ZINC000736412901 599812587 /nfs/dbraw/zinc/81/25/87/599812587.db2.gz PZNUEVHGRXBJPO-STQMWFEESA-N -1 1 300.399 0.839 20 0 DCADMM NC(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822890083 607396017 /nfs/dbraw/zinc/39/60/17/607396017.db2.gz LUBPOBAMCZZTRJ-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM NC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822890083 607396019 /nfs/dbraw/zinc/39/60/19/607396019.db2.gz LUBPOBAMCZZTRJ-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CCC[C@H](CCO)C1)C(=O)[O-] ZINC000736413851 599814408 /nfs/dbraw/zinc/81/44/08/599814408.db2.gz VOICXEQMDQJQFQ-OLZOCXBDSA-N -1 1 300.399 0.696 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CCCC[C@@H]1CC(N)=O)C(=O)[O-] ZINC000736413791 600030479 /nfs/dbraw/zinc/03/04/79/600030479.db2.gz VAHAXFDEPSDPNI-NEPJUHHUSA-N -1 1 313.398 0.332 20 0 DCADMM CN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])nc2)CC1 ZINC000737529007 600112235 /nfs/dbraw/zinc/11/22/35/600112235.db2.gz GYRZEOZWRFIBEZ-RYUDHWBXSA-N -1 1 304.350 0.493 20 0 DCADMM CN(Cc1cnn(C)c1)C(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737496842 600149262 /nfs/dbraw/zinc/14/92/62/600149262.db2.gz KVQZJJIANZKMAX-UHFFFAOYSA-N -1 1 308.382 0.756 20 0 DCADMM CN1CCN(C)[C@@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000737525784 600273608 /nfs/dbraw/zinc/27/36/08/600273608.db2.gz HLJAAGOHBVBJOH-ZDUSSCGKSA-N -1 1 321.377 0.126 20 0 DCADMM C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736765236 600299300 /nfs/dbraw/zinc/29/93/00/600299300.db2.gz ZNDODGQQOGLXOZ-MNOVXSKESA-N -1 1 319.361 0.909 20 0 DCADMM C[C@H](CNC(=O)c1ccc(C(=O)[O-])cc1)N1CCN(C)CC1 ZINC000736600616 600386064 /nfs/dbraw/zinc/38/60/64/600386064.db2.gz VKBKGQMUBFLRDQ-GFCCVEGCSA-N -1 1 305.378 0.751 20 0 DCADMM CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cc(C(=O)[O-])ccc1F 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CCN1CCN(CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000829771525 600953140 /nfs/dbraw/zinc/95/31/40/600953140.db2.gz YDWINDQYJMAKGV-CYBMUJFWSA-N -1 1 309.410 0.337 20 0 DCADMM CCc1c(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cnn1C ZINC000830210099 601103457 /nfs/dbraw/zinc/10/34/57/601103457.db2.gz WLYVBSOEIZGETM-LLVKDONJSA-N -1 1 308.382 0.604 20 0 DCADMM NC(=O)C[C@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000833080439 601121494 /nfs/dbraw/zinc/12/14/94/601121494.db2.gz QNUUYVXJQUVAJC-LLVKDONJSA-N -1 1 319.361 0.911 20 0 DCADMM O=C([O-])c1cn(CC(=O)NCc2nc3ccc(F)cc3[nH]2)nn1 ZINC000833120798 601139183 /nfs/dbraw/zinc/13/91/83/601139183.db2.gz FZOVJIVYFCBUNJ-UHFFFAOYSA-N -1 1 318.268 0.308 20 0 DCADMM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C/C=C(\C)C(=O)[O-])C1 ZINC000825823062 601177719 /nfs/dbraw/zinc/17/77/19/601177719.db2.gz LTXYMPHAYRERMP-MQSIBISMSA-N -1 1 322.365 0.832 20 0 DCADMM CC(C)CN1CCO[C@@H](CNC(=O)c2ccnc(C(=O)[O-])c2)C1 ZINC000826886052 601271519 /nfs/dbraw/zinc/27/15/19/601271519.db2.gz PIJCPTQSVSJNRE-ZDUSSCGKSA-N -1 1 321.377 0.866 20 0 DCADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824857460 607503138 /nfs/dbraw/zinc/50/31/38/607503138.db2.gz CCWGHJLWTVQNIP-FDXSBTRWSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824857460 607503139 /nfs/dbraw/zinc/50/31/39/607503139.db2.gz CCWGHJLWTVQNIP-FDXSBTRWSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC000825989294 601427669 /nfs/dbraw/zinc/42/76/69/601427669.db2.gz COCBVPOBWNAROQ-NEPJUHHUSA-N -1 1 308.382 0.531 20 0 DCADMM C[C@@H]1CN(CC(=O)NCC(=O)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000828432994 601505025 /nfs/dbraw/zinc/50/50/25/601505025.db2.gz QBLYJGXFLHDFRF-DGCLKSJQSA-N -1 1 304.346 0.638 20 0 DCADMM CCN(CCNS(=O)(=O)CC1(CC(=O)[O-])CC1)C1CC1 ZINC000829709264 601512558 /nfs/dbraw/zinc/51/25/58/601512558.db2.gz AZQIJJXCYDGSKK-UHFFFAOYSA-N -1 1 304.412 0.645 20 0 DCADMM C[C@@H]1CN(CC(=O)Nc2ccccc2C(N)=O)C[C@@H]1C(=O)[O-] ZINC000315620042 601533212 /nfs/dbraw/zinc/53/32/12/601533212.db2.gz SJFQLSVFTVTMGR-KOLCDFICSA-N -1 1 305.334 0.377 20 0 DCADMM COC(=O)[C@@H]1CN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C[C@H]1C ZINC000831113417 601539816 /nfs/dbraw/zinc/53/98/16/601539816.db2.gz HKBBQFDWMVMSBY-IJLUTSLNSA-N -1 1 314.382 0.343 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CCCC[C@H]1CCO)C(=O)[O-] ZINC000826785983 601544863 /nfs/dbraw/zinc/54/48/63/601544863.db2.gz INTBWXFOSGYBHR-STQMWFEESA-N -1 1 300.399 0.839 20 0 DCADMM c1cc(CN2CCO[C@H]([C@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC000826515749 607514132 /nfs/dbraw/zinc/51/41/32/607514132.db2.gz JMHAIJZWIDMVHC-KGLIPLIRSA-N -1 1 316.365 0.642 20 0 DCADMM CC(C)[C@H](NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC000827091885 601823736 /nfs/dbraw/zinc/82/37/36/601823736.db2.gz MYMPTHZZRYCOKN-LBPRGKRZSA-N -1 1 306.322 0.906 20 0 DCADMM CCOC(=O)[C@@H]1CCCCN1C(=O)CN[C@H](C(=O)[O-])C(C)C ZINC000829833239 601825076 /nfs/dbraw/zinc/82/50/76/601825076.db2.gz YYLLBGVYWCRCIU-AAEUAGOBSA-N -1 1 314.382 0.629 20 0 DCADMM CCN1CCC(NS(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000829760247 601832384 /nfs/dbraw/zinc/83/23/84/601832384.db2.gz OTTGQLQKGVWWIB-UHFFFAOYSA-N -1 1 319.408 0.604 20 0 DCADMM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000827311686 602084668 /nfs/dbraw/zinc/08/46/68/602084668.db2.gz VQJMWIQLJWCIOZ-NSHDSACASA-N -1 1 306.366 0.883 20 0 DCADMM O=C([O-])C[N@H+](CCC[N-]C(=O)C(F)(F)F)C1CCOCC1 ZINC000833248421 602114843 /nfs/dbraw/zinc/11/48/43/602114843.db2.gz QYLQUSCLUOYMME-UHFFFAOYSA-N -1 1 312.288 0.621 20 0 DCADMM O=C([O-])C[N@@H+](CCC[N-]C(=O)C(F)(F)F)C1CCOCC1 ZINC000833248421 602114846 /nfs/dbraw/zinc/11/48/46/602114846.db2.gz QYLQUSCLUOYMME-UHFFFAOYSA-N -1 1 312.288 0.621 20 0 DCADMM CC[C@@H](C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)N(C)C ZINC000828585943 602147857 /nfs/dbraw/zinc/14/78/57/602147857.db2.gz BCGDXIXYDMJLMP-ZDUSSCGKSA-N -1 1 321.377 0.709 20 0 DCADMM CC1(C2CCN(CC(=O)NCCC(=O)[O-])CC2)OCCO1 ZINC000828087997 602213419 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SRQXXTLSVQPMQN-UHFFFAOYSA-N -1 1 313.321 0.982 20 0 DCADMM COc1cccc(CNC(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC000821867712 606655003 /nfs/dbraw/zinc/65/50/03/606655003.db2.gz KGEFOSFNQHVTNV-UHFFFAOYSA-N -1 1 313.321 0.388 20 0 DCADMM COc1cccc(CNC(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC000821867712 606655004 /nfs/dbraw/zinc/65/50/04/606655004.db2.gz KGEFOSFNQHVTNV-UHFFFAOYSA-N -1 1 313.321 0.388 20 0 DCADMM CCOC(=O)/C=C\Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000821325784 606703627 /nfs/dbraw/zinc/70/36/27/606703627.db2.gz MWYYDKPZDOZAEB-WAYWQWQTSA-N -1 1 304.310 0.160 20 0 DCADMM CCCNC(=O)CCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821114126 607103081 /nfs/dbraw/zinc/10/30/81/607103081.db2.gz JDPAEBFDTXCZRY-UHFFFAOYSA-N -1 1 323.382 0.958 20 0 DCADMM CCCNC(=O)CCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821114126 607103083 /nfs/dbraw/zinc/10/30/83/607103083.db2.gz JDPAEBFDTXCZRY-UHFFFAOYSA-N -1 1 323.382 0.958 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCOC3(CCOCC3)C2)n1 ZINC000823809069 607176109 /nfs/dbraw/zinc/17/61/09/607176109.db2.gz INVOSBHLWXQBJC-JTQLQIEISA-N -1 1 317.353 0.797 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCOC3(CCOCC3)C2)n1 ZINC000823809069 607176110 /nfs/dbraw/zinc/17/61/10/607176110.db2.gz INVOSBHLWXQBJC-JTQLQIEISA-N -1 1 317.353 0.797 20 0 DCADMM CC(C)(C)SCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819951174 607213221 /nfs/dbraw/zinc/21/32/21/607213221.db2.gz ORPAVGHKPUOYKI-UHFFFAOYSA-N -1 1 310.387 0.106 20 0 DCADMM CCCC[C@@H]1CCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821043148 607213528 /nfs/dbraw/zinc/21/35/28/607213528.db2.gz MDSIXJSCARVIJW-GHMZBOCLSA-N -1 1 318.385 0.933 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC/C=C/c1ccccc1 ZINC000823127267 607217270 /nfs/dbraw/zinc/21/72/70/607217270.db2.gz YFCFCKGQQYBQGU-QPJJXVBHSA-N -1 1 310.321 0.288 20 0 DCADMM CC[C@]1(C)CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820950291 607219960 /nfs/dbraw/zinc/21/99/60/607219960.db2.gz LUEUAOSPUPEJAO-CYBMUJFWSA-N -1 1 304.358 0.497 20 0 DCADMM Cc1cnc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000822389500 607221917 /nfs/dbraw/zinc/22/19/17/607221917.db2.gz YUXIOZFEKDGAOJ-SSDOTTSWSA-N -1 1 319.354 0.101 20 0 DCADMM Cc1cnc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000822389501 607222024 /nfs/dbraw/zinc/22/20/24/607222024.db2.gz YUXIOZFEKDGAOJ-ZETCQYMHSA-N -1 1 319.354 0.101 20 0 DCADMM CC1(C)CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000820601912 607222747 /nfs/dbraw/zinc/22/27/47/607222747.db2.gz UKKDHRRPLBFXQU-UHFFFAOYSA-N -1 1 324.348 0.783 20 0 DCADMM CC(C)CC1(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820061449 607222950 /nfs/dbraw/zinc/22/29/50/607222950.db2.gz BKCZNHIZASXWCX-UHFFFAOYSA-N -1 1 304.358 0.401 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CC2CCC1CC2 ZINC000823126370 607225271 /nfs/dbraw/zinc/22/52/71/607225271.db2.gz JNWFBPVCPDWSLR-RTBKNWGFSA-N -1 1 302.342 0.153 20 0 DCADMM c1cnc(N2CC[C@@H](C3CCOCC3)C2)c(-c2nnn[n-]2)n1 ZINC000826525795 607851565 /nfs/dbraw/zinc/85/15/65/607851565.db2.gz ZMKKYQLFNZFVDO-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1cnc(N2CC[C@@H](C3CCOCC3)C2)c(-c2nn[n-]n2)n1 ZINC000826525795 607851566 /nfs/dbraw/zinc/85/15/66/607851566.db2.gz ZMKKYQLFNZFVDO-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM COCCCNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826156909 607866246 /nfs/dbraw/zinc/86/62/46/607866246.db2.gz ZHAONNWWSXDMFW-UHFFFAOYSA-N -1 1 309.301 0.537 20 0 DCADMM COCCCNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826156909 607866247 /nfs/dbraw/zinc/86/62/47/607866247.db2.gz ZHAONNWWSXDMFW-UHFFFAOYSA-N -1 1 309.301 0.537 20 0 DCADMM Cc1nc([C@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)no1 ZINC000826324774 607898336 /nfs/dbraw/zinc/89/83/36/607898336.db2.gz DITAHNKOUCQYNM-SNVBAGLBSA-N -1 1 314.309 0.531 20 0 DCADMM Cc1nc([C@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)no1 ZINC000826324774 607898337 /nfs/dbraw/zinc/89/83/37/607898337.db2.gz DITAHNKOUCQYNM-SNVBAGLBSA-N -1 1 314.309 0.531 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCCOc1ccccc1 ZINC000826424743 608013009 /nfs/dbraw/zinc/01/30/09/608013009.db2.gz ARXDBXBKQRYDGH-UHFFFAOYSA-N -1 1 313.321 0.258 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCCOc1ccccc1 ZINC000826424743 608013010 /nfs/dbraw/zinc/01/30/10/608013010.db2.gz ARXDBXBKQRYDGH-UHFFFAOYSA-N -1 1 313.321 0.258 20 0 DCADMM OC[C@H]1CSCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826509567 608195122 /nfs/dbraw/zinc/19/51/22/608195122.db2.gz YWYXNHCISUGSLG-YFKPBYRVSA-N -1 1 318.815 0.891 20 0 DCADMM OC[C@H]1CSCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826509567 608195123 /nfs/dbraw/zinc/19/51/23/608195123.db2.gz YWYXNHCISUGSLG-YFKPBYRVSA-N -1 1 318.815 0.891 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(NC[C@H]2COC3(CCCC3)O2)n1 ZINC000826525031 608295126 /nfs/dbraw/zinc/29/51/26/608295126.db2.gz SWOBDSFMTKSPGT-VIFPVBQESA-N -1 1 303.326 0.754 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(NC[C@H]2COC3(CCCC3)O2)n1 ZINC000826525031 608295128 /nfs/dbraw/zinc/29/51/28/608295128.db2.gz SWOBDSFMTKSPGT-VIFPVBQESA-N -1 1 303.326 0.754 20 0 DCADMM CN(C)c1nc(CNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC000825883890 608427800 /nfs/dbraw/zinc/42/78/00/608427800.db2.gz OXNZECBCLBNEMC-UHFFFAOYSA-N -1 1 303.355 0.791 20 0 DCADMM CN(C)c1nc(CNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC000825883890 608427802 /nfs/dbraw/zinc/42/78/02/608427802.db2.gz OXNZECBCLBNEMC-UHFFFAOYSA-N -1 1 303.355 0.791 20 0 DCADMM CN(C(=O)CNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC000825817156 608429259 /nfs/dbraw/zinc/42/92/59/608429259.db2.gz DCVRDLNYLVVFPF-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CN(C(=O)CNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC000825817156 608429260 /nfs/dbraw/zinc/42/92/60/608429260.db2.gz DCVRDLNYLVVFPF-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(c2ncccn2)CC1 ZINC000826280887 608541622 /nfs/dbraw/zinc/54/16/22/608541622.db2.gz UPANGWOKZQAVBS-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM c1cnn(C[C@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)c1 ZINC000826526358 608692018 /nfs/dbraw/zinc/69/20/18/608692018.db2.gz VPMNYOPANLXINY-GFCCVEGCSA-N -1 1 315.337 0.557 20 0 DCADMM c1cnn(C[C@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)c1 ZINC000826526358 608692021 /nfs/dbraw/zinc/69/20/21/608692021.db2.gz VPMNYOPANLXINY-GFCCVEGCSA-N -1 1 315.337 0.557 20 0 DCADMM CS(=O)(=O)CCN(Cc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000826222603 608740517 /nfs/dbraw/zinc/74/05/17/608740517.db2.gz DKTKYDSRQFKHOE-UHFFFAOYSA-N -1 1 311.367 0.469 20 0 DCADMM CS(=O)(=O)CCN(Cc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC000826222603 608740519 /nfs/dbraw/zinc/74/05/19/608740519.db2.gz DKTKYDSRQFKHOE-UHFFFAOYSA-N -1 1 311.367 0.469 20 0 DCADMM CC(C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824266810 609269425 /nfs/dbraw/zinc/26/94/25/609269425.db2.gz QODBUXYXMQGLGP-UHFFFAOYSA-N -1 1 321.389 0.402 20 0 DCADMM CC(C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824266810 609269427 /nfs/dbraw/zinc/26/94/27/609269427.db2.gz QODBUXYXMQGLGP-UHFFFAOYSA-N -1 1 321.389 0.402 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)NCC1CC1 ZINC000826412338 609333167 /nfs/dbraw/zinc/33/31/67/609333167.db2.gz KPXJORKDXLOJCA-UHFFFAOYSA-N -1 1 306.351 0.184 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)NCC1CC1 ZINC000826412338 609333169 /nfs/dbraw/zinc/33/31/69/609333169.db2.gz KPXJORKDXLOJCA-UHFFFAOYSA-N -1 1 306.351 0.184 20 0 DCADMM Cn1cc([C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000826358838 609393089 /nfs/dbraw/zinc/39/30/89/609393089.db2.gz KWYRUHFKQCZPOB-MRVPVSSYSA-N -1 1 319.350 0.125 20 0 DCADMM Cn1cc([C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000826358838 609393091 /nfs/dbraw/zinc/39/30/91/609393091.db2.gz KWYRUHFKQCZPOB-MRVPVSSYSA-N -1 1 319.350 0.125 20 0 DCADMM O=C(NN1Cc2ccccc2C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826444697 609427650 /nfs/dbraw/zinc/42/76/50/609427650.db2.gz QNZQGTWYFXXHMU-UHFFFAOYSA-N -1 1 321.300 0.563 20 0 DCADMM O=C(NN1Cc2ccccc2C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826444697 609427652 /nfs/dbraw/zinc/42/76/52/609427652.db2.gz QNZQGTWYFXXHMU-UHFFFAOYSA-N -1 1 321.300 0.563 20 0 DCADMM Cc1onc(CC(=O)N(CCCO)C2CC2)c1-c1nnn[n-]1 ZINC000826344026 609468393 /nfs/dbraw/zinc/46/83/93/609468393.db2.gz VMHLDODDJNPVNS-UHFFFAOYSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N(CCCO)C2CC2)c1-c1nn[n-]n1 ZINC000826344026 609468395 /nfs/dbraw/zinc/46/83/95/609468395.db2.gz VMHLDODDJNPVNS-UHFFFAOYSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)NCCc2ccc[nH]2)c1-c1nnn[n-]1 ZINC000826347778 609469412 /nfs/dbraw/zinc/46/94/12/609469412.db2.gz FQOIFFWZNAXXOO-UHFFFAOYSA-N -1 1 301.310 0.393 20 0 DCADMM Cc1onc(CC(=O)NCCc2ccc[nH]2)c1-c1nn[n-]n1 ZINC000826347778 609469414 /nfs/dbraw/zinc/46/94/14/609469414.db2.gz FQOIFFWZNAXXOO-UHFFFAOYSA-N -1 1 301.310 0.393 20 0 DCADMM CC(C)COC[C@H](O)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866833162 667403959 /nfs/dbraw/zinc/40/39/59/667403959.db2.gz KXPPDHCJKZLQDL-SECBINFHSA-N -1 1 324.349 0.672 20 0 DCADMM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000866953054 662662301 /nfs/dbraw/zinc/66/23/01/662662301.db2.gz FYMGIXRVEMDJRT-PWSUYJOCSA-N -1 1 321.468 0.565 20 0 DCADMM O=C(C=CC=C(Cl)Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000900625885 663263560 /nfs/dbraw/zinc/26/35/60/663263560.db2.gz OGNOLSJPYQLPAU-RMKMGNDCSA-N -1 1 304.137 0.975 20 0 DCADMM CN1CC[C@H](N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])C1=O ZINC001027842104 660823757 /nfs/dbraw/zinc/82/37/57/660823757.db2.gz RKURDGJZIDKGDG-NEPJUHHUSA-N -1 1 318.377 0.212 20 0 DCADMM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000921379570 665298946 /nfs/dbraw/zinc/29/89/46/665298946.db2.gz GSXZMSSAUMWEDG-SRVKXCTJSA-N -1 1 322.427 0.377 20 0 DCADMM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1cc(C)ns1 ZINC000921380077 665298980 /nfs/dbraw/zinc/29/89/80/665298980.db2.gz DBDLZHBHDDPXFK-QMMMGPOBSA-N -1 1 308.381 0.308 20 0 DCADMM C[C@@H]1CCC[N@H+]1CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000981953325 661254068 /nfs/dbraw/zinc/25/40/68/661254068.db2.gz MXEQXLRJQIZJLK-GFCCVEGCSA-N -1 1 322.413 0.029 20 0 DCADMM Cn1ccc(CC(=O)NNC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000180777114 665454771 /nfs/dbraw/zinc/45/47/71/665454771.db2.gz DWURJJXLHHBSOM-UHFFFAOYSA-N -1 1 308.725 0.783 20 0 DCADMM 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DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1c(C)coc1C ZINC001568738451 1160755637 /nfs/dbraw/zinc/75/56/37/1160755637.db2.gz MMJMYMLYTGASAL-UHFFFAOYSA-N -1 1 307.354 0.972 20 0 DCADMM CC[C@H](C)NC(=O)CNCC=CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001568837251 1160799069 /nfs/dbraw/zinc/79/90/69/1160799069.db2.gz YGQWBCRNHGOGBX-OMMCCPJFSA-N -1 1 323.397 0.214 20 0 DCADMM Cc1n[nH]c(C(=O)NCC=CCNCc2cnoc2C)c1[O-] ZINC001568835841 1160799124 /nfs/dbraw/zinc/79/91/24/1160799124.db2.gz HNLAKWXMSMEVHI-ONEGZZNKSA-N -1 1 305.338 0.796 20 0 DCADMM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](c2[nH]ncc2C(=O)[O-])C1 ZINC001573371171 1163418958 /nfs/dbraw/zinc/41/89/58/1163418958.db2.gz QIBKCYFGTXJABA-SECBINFHSA-N -1 1 308.338 0.339 20 0 DCADMM CC(=O)NC1CCC(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])CC1 ZINC001573427102 1163432650 /nfs/dbraw/zinc/43/26/50/1163432650.db2.gz SEVDMXKRIQTXJD-GCZXYKMCSA-N -1 1 322.365 0.217 20 0 DCADMM CC(C)(C)OCC[C@H](NS(=O)(=O)c1ncc[nH]1)C(=O)[O-] ZINC001573469439 1163444489 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CC(C)(CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)OCCO ZINC001573901042 1163580316 /nfs/dbraw/zinc/58/03/16/1163580316.db2.gz OPFPGOKWZWHMGN-UHFFFAOYSA-N -1 1 321.341 0.171 20 0 DCADMM CC(C)(CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)OCCO ZINC001573901042 1163580320 /nfs/dbraw/zinc/58/03/20/1163580320.db2.gz OPFPGOKWZWHMGN-UHFFFAOYSA-N -1 1 321.341 0.171 20 0 DCADMM CC(C)(NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ncon1 ZINC001573919296 1163586004 /nfs/dbraw/zinc/58/60/04/1163586004.db2.gz OAEJPYMYDXOGFS-UHFFFAOYSA-N -1 1 314.309 0.239 20 0 DCADMM CC(C)(NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ncon1 ZINC001573919296 1163586006 /nfs/dbraw/zinc/58/60/06/1163586006.db2.gz OAEJPYMYDXOGFS-UHFFFAOYSA-N -1 1 314.309 0.239 20 0 DCADMM CC(C)C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573963542 1163605302 /nfs/dbraw/zinc/60/53/02/1163605302.db2.gz KHMNCMRVXIOKMP-UHFFFAOYSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001573966278 1163607686 /nfs/dbraw/zinc/60/76/86/1163607686.db2.gz 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0.764 20 0 DCADMM C[C@@H](CCNC(=O)C1(C)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574587376 1163733203 /nfs/dbraw/zinc/73/32/03/1163733203.db2.gz LZSGHKWUAOIDPW-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CCC1 ZINC001574663204 1163738925 /nfs/dbraw/zinc/73/89/25/1163738925.db2.gz KBOLYXUQFJXKNL-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CCC1 ZINC001574663204 1163738932 /nfs/dbraw/zinc/73/89/32/1163738932.db2.gz KBOLYXUQFJXKNL-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C(C)(C)F ZINC001574664184 1163738948 /nfs/dbraw/zinc/73/89/48/1163738948.db2.gz WPOIKKPUOTVPIE-QMMMGPOBSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C(C)(C)F ZINC001574664184 1163738950 /nfs/dbraw/zinc/73/89/50/1163738950.db2.gz WPOIKKPUOTVPIE-QMMMGPOBSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)CC1CC1 ZINC001574824544 1163761816 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C[C@@H](CNC(=O)[C@H]1CC1(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574861706 1163774150 /nfs/dbraw/zinc/77/41/50/1163774150.db2.gz MUKUUFMTEVTOPX-NKWVEPMBSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC1(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574861706 1163774156 /nfs/dbraw/zinc/77/41/56/1163774156.db2.gz MUKUUFMTEVTOPX-NKWVEPMBSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574861708 1163774723 /nfs/dbraw/zinc/77/47/23/1163774723.db2.gz MUKUUFMTEVTOPX-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574861708 1163774729 /nfs/dbraw/zinc/77/47/29/1163774729.db2.gz MUKUUFMTEVTOPX-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574869199 1163779273 /nfs/dbraw/zinc/77/92/73/1163779273.db2.gz VDJBCAKWQUUUFC-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574869199 1163779281 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C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)C1CC1 ZINC001576040917 1164221457 /nfs/dbraw/zinc/22/14/57/1164221457.db2.gz OSOVHWDDMMVZFX-WCBMZHEXSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576076996 1164231513 /nfs/dbraw/zinc/23/15/13/1164231513.db2.gz PHZZEVWQZJBVRD-ZJUUUORDSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576076996 1164231518 /nfs/dbraw/zinc/23/15/18/1164231518.db2.gz PHZZEVWQZJBVRD-ZJUUUORDSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001576084054 1164236488 /nfs/dbraw/zinc/23/64/88/1164236488.db2.gz HVWUEFIUWRURNO-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001576084054 1164236496 /nfs/dbraw/zinc/23/64/96/1164236496.db2.gz HVWUEFIUWRURNO-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM CCC(=O)N(C)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576409263 1164330980 /nfs/dbraw/zinc/33/09/80/1164330980.db2.gz CPROWJZAASMOLI-SNVBAGLBSA-N -1 1 316.369 0.412 20 0 DCADMM CCC(=O)N(C)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001576409263 1164330987 /nfs/dbraw/zinc/33/09/87/1164330987.db2.gz CPROWJZAASMOLI-SNVBAGLBSA-N -1 1 316.369 0.412 20 0 DCADMM CCC(=O)N(CC)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576411940 1164332129 /nfs/dbraw/zinc/33/21/29/1164332129.db2.gz PIGMZSLPSLWYOT-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576415442 1164335026 /nfs/dbraw/zinc/33/50/26/1164335026.db2.gz SXZZRLPOZBMZEK-UHFFFAOYSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576444501 1164347368 /nfs/dbraw/zinc/34/73/68/1164347368.db2.gz JASNYCWVJPVZGF-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576444501 1164347372 /nfs/dbraw/zinc/34/73/72/1164347372.db2.gz JASNYCWVJPVZGF-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001576445536 1164348113 /nfs/dbraw/zinc/34/81/13/1164348113.db2.gz SCOCFNAXBALKIG-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CCC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001576445536 1164348120 /nfs/dbraw/zinc/34/81/20/1164348120.db2.gz SCOCFNAXBALKIG-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CCC(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576470523 1164354706 /nfs/dbraw/zinc/35/47/06/1164354706.db2.gz FREJDWZHNUTNDN-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576470523 1164354714 /nfs/dbraw/zinc/35/47/14/1164354714.db2.gz FREJDWZHNUTNDN-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NC[C@H](CC)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576472113 1164355705 /nfs/dbraw/zinc/35/57/05/1164355705.db2.gz WUQZZHPSUAVKRR-VIFPVBQESA-N -1 1 318.385 0.936 20 0 DCADMM CCC(=O)NC[C@H](CC)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576472113 1164355711 /nfs/dbraw/zinc/35/57/11/1164355711.db2.gz WUQZZHPSUAVKRR-VIFPVBQESA-N -1 1 318.385 0.936 20 0 DCADMM CCC(=O)NCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001576476325 1164357135 /nfs/dbraw/zinc/35/71/35/1164357135.db2.gz RUOLQAGGNGSYRC-UHFFFAOYSA-N -1 1 301.763 0.915 20 0 DCADMM CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001576484204 1164363951 /nfs/dbraw/zinc/36/39/51/1164363951.db2.gz FIWBMLWZPJDKBT-UTLUCORTSA-N -1 1 314.353 0.293 20 0 DCADMM CCC(C)(C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576530983 1164380266 /nfs/dbraw/zinc/38/02/66/1164380266.db2.gz BCTWEMGGFAYRIM-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCC(C)(C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576530983 1164380276 /nfs/dbraw/zinc/38/02/76/1164380276.db2.gz BCTWEMGGFAYRIM-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576564921 1164392682 /nfs/dbraw/zinc/39/26/82/1164392682.db2.gz UXFHUSVKEPNIGG-VHSXEESVSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576564921 1164392688 /nfs/dbraw/zinc/39/26/88/1164392688.db2.gz UXFHUSVKEPNIGG-VHSXEESVSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576568612 1164396976 /nfs/dbraw/zinc/39/69/76/1164396976.db2.gz PUWYMVFNQLZACA-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576568612 1164396984 /nfs/dbraw/zinc/39/69/84/1164396984.db2.gz PUWYMVFNQLZACA-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H](C)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576566579 1164397061 /nfs/dbraw/zinc/39/70/61/1164397061.db2.gz VHHQDTHUZLRABP-NXEZZACHSA-N -1 1 318.385 0.384 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H](C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576576574 1164400244 /nfs/dbraw/zinc/40/02/44/1164400244.db2.gz MGWMIWVWKMOECV-UWVGGRQHSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576576996 1164402102 /nfs/dbraw/zinc/40/21/02/1164402102.db2.gz QRONUUOALLCRBT-ZJUUUORDSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576576996 1164402108 /nfs/dbraw/zinc/40/21/08/1164402108.db2.gz QRONUUOALLCRBT-ZJUUUORDSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576608054 1164410856 /nfs/dbraw/zinc/41/08/56/1164410856.db2.gz YZLMRWNWQMILIK-GUBZILKMSA-N -1 1 316.369 0.184 20 0 DCADMM CC[C@H](CNC(=O)C1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576788987 1164463051 /nfs/dbraw/zinc/46/30/51/1164463051.db2.gz DZKYJRVAZRHRNL-SNVBAGLBSA-N -1 1 316.369 0.185 20 0 DCADMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576846147 1164490322 /nfs/dbraw/zinc/49/03/22/1164490322.db2.gz LVQWJSSZOZAMPX-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576846147 1164490329 /nfs/dbraw/zinc/49/03/29/1164490329.db2.gz LVQWJSSZOZAMPX-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576847428 1164491424 /nfs/dbraw/zinc/49/14/24/1164491424.db2.gz DMRYGPLGTGGDBK-GUBZILKMSA-N -1 1 316.369 0.041 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576926644 1164538183 /nfs/dbraw/zinc/53/81/83/1164538183.db2.gz SOKVMDYICMLIEP-DTWKUNHWSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576926644 1164538190 /nfs/dbraw/zinc/53/81/90/1164538190.db2.gz SOKVMDYICMLIEP-DTWKUNHWSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576954900 1164556795 /nfs/dbraw/zinc/55/67/95/1164556795.db2.gz WBVXEOWJGKKWHY-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576954900 1164556806 /nfs/dbraw/zinc/55/68/06/1164556806.db2.gz WBVXEOWJGKKWHY-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCCN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001576960742 1164560828 /nfs/dbraw/zinc/56/08/28/1164560828.db2.gz ZRNAIMBCSUTKSV-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM CC[C@H](F)C(=O)NCCN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001576960742 1164560830 /nfs/dbraw/zinc/56/08/30/1164560830.db2.gz ZRNAIMBCSUTKSV-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM CCC1(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001577061786 1164594331 /nfs/dbraw/zinc/59/43/31/1164594331.db2.gz LTPMVZLOEFAFQI-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCC1(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001577061786 1164594337 /nfs/dbraw/zinc/59/43/37/1164594337.db2.gz LTPMVZLOEFAFQI-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCC1(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001577087004 1164600451 /nfs/dbraw/zinc/60/04/51/1164600451.db2.gz HGRNWWOKFNXREG-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001577087004 1164600454 /nfs/dbraw/zinc/60/04/54/1164600454.db2.gz HGRNWWOKFNXREG-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001577104844 1164603836 /nfs/dbraw/zinc/60/38/36/1164603836.db2.gz DUGVSYBEXGOINR-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001577104844 1164603843 /nfs/dbraw/zinc/60/38/43/1164603843.db2.gz DUGVSYBEXGOINR-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001577187884 1164627995 /nfs/dbraw/zinc/62/79/95/1164627995.db2.gz NXSUCAOSRRQQMM-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001577187884 1164627999 /nfs/dbraw/zinc/62/79/99/1164627999.db2.gz NXSUCAOSRRQQMM-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001577194327 1164629100 /nfs/dbraw/zinc/62/91/00/1164629100.db2.gz JVXFBPZYQQUVEX-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001577194327 1164629102 /nfs/dbraw/zinc/62/91/02/1164629102.db2.gz JVXFBPZYQQUVEX-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001577203288 1164633345 /nfs/dbraw/zinc/63/33/45/1164633345.db2.gz UXBKVICZGVMTDM-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001577203288 1164633355 /nfs/dbraw/zinc/63/33/55/1164633355.db2.gz UXBKVICZGVMTDM-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H](CC)Nc1cncc(-c2nnn[n-]2)n1 ZINC001577214041 1164636505 /nfs/dbraw/zinc/63/65/05/1164636505.db2.gz WYRDODFNBUZNDH-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)NC[C@H](CC)Nc1cncc(-c2nn[n-]n2)n1 ZINC001577214041 1164636509 /nfs/dbraw/zinc/63/65/09/1164636509.db2.gz WYRDODFNBUZNDH-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001577218707 1164639793 /nfs/dbraw/zinc/63/97/93/1164639793.db2.gz CGSXGGSRXNBBGT-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001577218707 1164639796 /nfs/dbraw/zinc/63/97/96/1164639796.db2.gz CGSXGGSRXNBBGT-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCC[C@H](O)CCNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577325464 1164671562 /nfs/dbraw/zinc/67/15/62/1164671562.db2.gz BKERQZPKKJEKEH-VIFPVBQESA-N -1 1 320.353 0.557 20 0 DCADMM CCCCC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577396334 1164684738 /nfs/dbraw/zinc/68/47/38/1164684738.db2.gz NYVDQXFAOGCICA-JTQLQIEISA-N -1 1 318.385 0.528 20 0 DCADMM CCCN(C(C)=O)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577547343 1164722780 /nfs/dbraw/zinc/72/27/80/1164722780.db2.gz JPDWBZDYFFGQSO-LLVKDONJSA-N -1 1 316.369 0.494 20 0 DCADMM CCCN(C(C)=O)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577547343 1164722787 /nfs/dbraw/zinc/72/27/87/1164722787.db2.gz JPDWBZDYFFGQSO-LLVKDONJSA-N -1 1 316.369 0.494 20 0 DCADMM CCCc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)[nH]n1 ZINC001577730223 1164775912 /nfs/dbraw/zinc/77/59/12/1164775912.db2.gz ZSYUVWRIGQAXQU-UHFFFAOYSA-N -1 1 312.337 0.867 20 0 DCADMM CCN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)C1(C)CC1 ZINC001578123806 1164928995 /nfs/dbraw/zinc/92/89/95/1164928995.db2.gz FGFBBKGASUGEMX-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)C1(C)CC1 ZINC001578123806 1164928999 /nfs/dbraw/zinc/92/89/99/1164928999.db2.gz FGFBBKGASUGEMX-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)[C@@H]1C[C@@H]1C ZINC001578141141 1164935388 /nfs/dbraw/zinc/93/53/88/1164935388.db2.gz FWKXGJWFBGHEIX-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)[C@@H]1C[C@@H]1C ZINC001578141141 1164935397 /nfs/dbraw/zinc/93/53/97/1164935397.db2.gz FWKXGJWFBGHEIX-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001578434158 1165016216 /nfs/dbraw/zinc/01/62/16/1165016216.db2.gz GCCCEAZXRAOPLW-IVZWLZJFSA-N -1 1 316.369 0.041 20 0 DCADMM CCc1ncc(Cl)c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001578686151 1165086736 /nfs/dbraw/zinc/08/67/36/1165086736.db2.gz KRHHWKCTGSIMJH-UHFFFAOYSA-N -1 1 319.716 0.848 20 0 DCADMM CCc1ncc(Cl)c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001578686151 1165086740 /nfs/dbraw/zinc/08/67/40/1165086740.db2.gz KRHHWKCTGSIMJH-UHFFFAOYSA-N -1 1 319.716 0.848 20 0 DCADMM CCn1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001578775460 1165104173 /nfs/dbraw/zinc/10/41/73/1165104173.db2.gz TTWGZVNOUOISIO-UHFFFAOYSA-N -1 1 313.325 0.800 20 0 DCADMM CCn1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001578775460 1165104176 /nfs/dbraw/zinc/10/41/76/1165104176.db2.gz TTWGZVNOUOISIO-UHFFFAOYSA-N -1 1 313.325 0.800 20 0 DCADMM CN(C)C(=O)Cn1ccc(Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001578960031 1165169814 /nfs/dbraw/zinc/16/98/14/1165169814.db2.gz BZOCOTBYEUMWTK-UHFFFAOYSA-N -1 1 313.325 0.290 20 0 DCADMM CN(C)C(=O)Cn1ccc(Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001578960031 1165169819 /nfs/dbraw/zinc/16/98/19/1165169819.db2.gz BZOCOTBYEUMWTK-UHFFFAOYSA-N -1 1 313.325 0.290 20 0 DCADMM CN(C)c1cccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001579000387 1165185693 /nfs/dbraw/zinc/18/56/93/1165185693.db2.gz WGACKAAWMGPVKP-UHFFFAOYSA-N -1 1 313.321 0.851 20 0 DCADMM CN(C)c1cccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001579000387 1165185695 /nfs/dbraw/zinc/18/56/95/1165185695.db2.gz WGACKAAWMGPVKP-UHFFFAOYSA-N -1 1 313.321 0.851 20 0 DCADMM CN(CC(=O)NCc1ccc(-c2nn[n-]n2)s1)C(=O)C1CC1 ZINC001579009595 1165186414 /nfs/dbraw/zinc/18/64/14/1165186414.db2.gz IUBLQKLNNRHLQC-UHFFFAOYSA-N -1 1 320.378 0.413 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)[C@H]1CC1(F)F ZINC001579219374 1165243571 /nfs/dbraw/zinc/24/35/71/1165243571.db2.gz XQDLZFMVGSACEW-SSDOTTSWSA-N -1 1 324.295 0.182 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)[C@H]1CC1(F)F ZINC001579219374 1165243578 /nfs/dbraw/zinc/24/35/78/1165243578.db2.gz XQDLZFMVGSACEW-SSDOTTSWSA-N -1 1 324.295 0.182 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)c1ccccc1 ZINC001579219967 1165243596 /nfs/dbraw/zinc/24/35/96/1165243596.db2.gz DGHUASYGPHOFCJ-UHFFFAOYSA-N -1 1 324.348 0.841 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)c1ccccc1 ZINC001579219967 1165243604 /nfs/dbraw/zinc/24/36/04/1165243604.db2.gz DGHUASYGPHOFCJ-UHFFFAOYSA-N -1 1 324.348 0.841 20 0 DCADMM CN1c2ccccc2CN(c2nccnc2-c2nnn[n-]2)CC1=O ZINC001579308448 1165267767 /nfs/dbraw/zinc/26/77/67/1165267767.db2.gz SBZBMDYNTRSCNA-UHFFFAOYSA-N -1 1 322.332 0.640 20 0 DCADMM CN1c2ccccc2CN(c2nccnc2-c2nn[n-]n2)CC1=O ZINC001579308448 1165267772 /nfs/dbraw/zinc/26/77/72/1165267772.db2.gz SBZBMDYNTRSCNA-UHFFFAOYSA-N -1 1 322.332 0.640 20 0 DCADMM CNC(=O)[C@H](Cc1ccccc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001579385622 1165293245 /nfs/dbraw/zinc/29/32/45/1165293245.db2.gz MGACMRPFVIYMJW-LBPRGKRZSA-N -1 1 324.348 0.426 20 0 DCADMM CNC(=O)[C@H](Cc1ccccc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001579385622 1165293254 /nfs/dbraw/zinc/29/32/54/1165293254.db2.gz MGACMRPFVIYMJW-LBPRGKRZSA-N -1 1 324.348 0.426 20 0 DCADMM COC(=O)C(C)(C)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579432523 1165307954 /nfs/dbraw/zinc/30/79/54/1165307954.db2.gz XCPYZPHMRKWGQG-UHFFFAOYSA-N -1 1 319.325 0.582 20 0 DCADMM COC(=O)C(C)(C)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579432523 1165307963 /nfs/dbraw/zinc/30/79/63/1165307963.db2.gz XCPYZPHMRKWGQG-UHFFFAOYSA-N -1 1 319.325 0.582 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001579466994 1165318348 /nfs/dbraw/zinc/31/83/48/1165318348.db2.gz YXVKVFLIUOYHFA-BDAKNGLRSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001579466994 1165318353 /nfs/dbraw/zinc/31/83/53/1165318353.db2.gz YXVKVFLIUOYHFA-BDAKNGLRSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001579468101 1165321284 /nfs/dbraw/zinc/32/12/84/1165321284.db2.gz WQWCTDAMCNEEQT-VHSXEESVSA-N -1 1 316.321 0.077 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001579468101 1165321290 /nfs/dbraw/zinc/32/12/90/1165321290.db2.gz WQWCTDAMCNEEQT-VHSXEESVSA-N -1 1 316.321 0.077 20 0 DCADMM COC(=O)c1cnc(NC(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001579491044 1165329959 /nfs/dbraw/zinc/32/99/59/1165329959.db2.gz HDEFZUKGZKSNOP-UHFFFAOYSA-N -1 1 320.290 0.955 20 0 DCADMM COC(=O)c1occc1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001579493909 1165332508 /nfs/dbraw/zinc/33/25/08/1165332508.db2.gz XKBRAOZZSURRFG-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1occc1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001579493909 1165332518 /nfs/dbraw/zinc/33/25/18/1165332518.db2.gz XKBRAOZZSURRFG-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1coc(CNC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001579492377 1165332868 /nfs/dbraw/zinc/33/28/68/1165332868.db2.gz ZXJOEFOAWFWRLX-UHFFFAOYSA-N -1 1 318.249 0.164 20 0 DCADMM COC(=O)c1coc(CNC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001579492377 1165332873 /nfs/dbraw/zinc/33/28/73/1165332873.db2.gz ZXJOEFOAWFWRLX-UHFFFAOYSA-N -1 1 318.249 0.164 20 0 DCADMM COCC(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001579637101 1165367906 /nfs/dbraw/zinc/36/79/06/1165367906.db2.gz GLLBCVZRJHLBPI-UHFFFAOYSA-N -1 1 323.382 0.339 20 0 DCADMM COc1cn(C)nc1[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001580100031 1165503372 /nfs/dbraw/zinc/50/33/72/1165503372.db2.gz BDFHCUHEEITZMW-MRVPVSSYSA-N -1 1 315.341 0.880 20 0 DCADMM COc1cn(C)nc1[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001580100031 1165503379 /nfs/dbraw/zinc/50/33/79/1165503379.db2.gz BDFHCUHEEITZMW-MRVPVSSYSA-N -1 1 315.341 0.880 20 0 DCADMM COc1ncc(NC(=O)Cc2nnc(C)o2)cc1-c1nn[n-]n1 ZINC001580134603 1165514383 /nfs/dbraw/zinc/51/43/83/1165514383.db2.gz GNLYZVOLMKFKEY-UHFFFAOYSA-N -1 1 316.281 0.143 20 0 DCADMM COc1ncc(NC(=O)c2cncn2C)cc1-c1nn[n-]n1 ZINC001580139584 1165515632 /nfs/dbraw/zinc/51/56/32/1165515632.db2.gz FFZQVHFTQLJBJO-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1nn(C)cc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001580150758 1165519736 /nfs/dbraw/zinc/51/97/36/1165519736.db2.gz YGAGYMLORPPUKW-UHFFFAOYSA-N -1 1 319.350 0.600 20 0 DCADMM CS[C@H](C)C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001580187534 1165531452 /nfs/dbraw/zinc/53/14/52/1165531452.db2.gz HRMOKFNZSFZEJT-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001580187534 1165531457 /nfs/dbraw/zinc/53/14/57/1165531457.db2.gz HRMOKFNZSFZEJT-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001580188730 1165532603 /nfs/dbraw/zinc/53/26/03/1165532603.db2.gz ZGUPVHSRHPQKEM-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001580188730 1165532610 /nfs/dbraw/zinc/53/26/10/1165532610.db2.gz ZGUPVHSRHPQKEM-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CCCC1 ZINC001580295455 1165561984 /nfs/dbraw/zinc/56/19/84/1165561984.db2.gz MTUWSSDOHMRVEO-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CCCC1 ZINC001580295455 1165561990 /nfs/dbraw/zinc/56/19/90/1165561990.db2.gz MTUWSSDOHMRVEO-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H](C)C[C@@H](C)O ZINC001580604324 1165653131 /nfs/dbraw/zinc/65/31/31/1165653131.db2.gz QIADICLENQHEOF-IONNQARKSA-N -1 1 320.353 0.413 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCC(C)(C)CO ZINC001580605749 1165654968 /nfs/dbraw/zinc/65/49/68/1165654968.db2.gz HKYFVIASGRRKLO-UHFFFAOYSA-N -1 1 320.353 0.414 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)CC2CC2)n1 ZINC001580642220 1165671796 /nfs/dbraw/zinc/67/17/96/1165671796.db2.gz UCEULVDTIJIFKU-UHFFFAOYSA-N -1 1 316.369 0.318 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)CC2CC2)n1 ZINC001580642220 1165671802 /nfs/dbraw/zinc/67/18/02/1165671802.db2.gz UCEULVDTIJIFKU-UHFFFAOYSA-N -1 1 316.369 0.318 20 0 DCADMM Cc1cc2nccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2n1 ZINC001581046158 1165779919 /nfs/dbraw/zinc/77/99/19/1165779919.db2.gz HNYLWCJYHJIGTJ-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1cc2nccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2n1 ZINC001581046158 1165779925 /nfs/dbraw/zinc/77/99/25/1165779925.db2.gz HNYLWCJYHJIGTJ-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1cc[nH]c(=O)c1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581280607 1165810452 /nfs/dbraw/zinc/81/04/52/1165810452.db2.gz DTMSEKLYKDGGMH-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1cc[nH]c(=O)c1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581280607 1165810460 /nfs/dbraw/zinc/81/04/60/1165810460.db2.gz DTMSEKLYKDGGMH-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1c[nH]cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1=O ZINC001581325149 1165814111 /nfs/dbraw/zinc/81/41/11/1165814111.db2.gz LDAKQQSOCILNNO-UHFFFAOYSA-N -1 1 316.346 0.855 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccc3nonc3c2)c1-c1nn[n-]n1 ZINC001581403119 1165822089 /nfs/dbraw/zinc/82/20/89/1165822089.db2.gz ZNOUPTYIJNNIOS-UHFFFAOYSA-N -1 1 311.265 0.687 20 0 DCADMM Cc1nc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c(C)o1 ZINC001581454315 1165829802 /nfs/dbraw/zinc/82/98/02/1165829802.db2.gz TXJDQDYOFMHCQL-ZCFIWIBFSA-N -1 1 318.297 0.367 20 0 DCADMM Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1coc(-c3nnn[n-]3)c1)C2 ZINC001581530772 1165839281 /nfs/dbraw/zinc/83/92/81/1165839281.db2.gz LQGODGRECJNHGE-UHFFFAOYSA-N -1 1 313.277 0.420 20 0 DCADMM Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1coc(-c3nn[n-]n3)c1)C2 ZINC001581530772 1165839287 /nfs/dbraw/zinc/83/92/87/1165839287.db2.gz LQGODGRECJNHGE-UHFFFAOYSA-N -1 1 313.277 0.420 20 0 DCADMM Cc1nn(C)c(NC(=O)COc2ccccc2)c1-c1nnn[n-]1 ZINC001581593485 1165848023 /nfs/dbraw/zinc/84/80/23/1165848023.db2.gz FTEBUPGAVJRAOP-UHFFFAOYSA-N -1 1 313.321 0.926 20 0 DCADMM Cc1nn(C)c(NC(=O)COc2ccccc2)c1-c1nn[n-]n1 ZINC001581593485 1165848034 /nfs/dbraw/zinc/84/80/34/1165848034.db2.gz FTEBUPGAVJRAOP-UHFFFAOYSA-N -1 1 313.321 0.926 20 0 DCADMM Cc1nnc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)s1 ZINC001581603568 1165850966 /nfs/dbraw/zinc/85/09/66/1165850966.db2.gz BFPIEBXPGDQEPI-UHFFFAOYSA-N -1 1 317.338 0.879 20 0 DCADMM Cc1nsc(N(C)CCNC(=O)[C@@H]2C[C@@H]2C)c1-c1nn[n-]n1 ZINC001581664520 1165856140 /nfs/dbraw/zinc/85/61/40/1165856140.db2.gz ZTOYIFWFIQPLMA-IONNQARKSA-N -1 1 321.410 0.840 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)[C@@H](CC(C)C)C(N)=O ZINC001581726541 1165862493 /nfs/dbraw/zinc/86/24/93/1165862493.db2.gz HMDIIRLUSSPOQN-JTQLQIEISA-N -1 1 320.353 0.740 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)[C@@H](CC(C)C)C(N)=O ZINC001581726541 1165862500 /nfs/dbraw/zinc/86/25/00/1165862500.db2.gz HMDIIRLUSSPOQN-JTQLQIEISA-N -1 1 320.353 0.740 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](CO)C[C@H](C)C2)c1-c1nnn[n-]1 ZINC001581739708 1165864069 /nfs/dbraw/zinc/86/40/69/1165864069.db2.gz XJGRSACBKGWVJT-WCBMZHEXSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](CO)C[C@H](C)C2)c1-c1nn[n-]n1 ZINC001581739708 1165864075 /nfs/dbraw/zinc/86/40/75/1165864075.db2.gz XJGRSACBKGWVJT-WCBMZHEXSA-N -1 1 320.353 0.183 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)n1 ZINC001581753986 1165867511 /nfs/dbraw/zinc/86/75/11/1165867511.db2.gz BCEKUIZNUWZMCP-VHSXEESVSA-N -1 1 317.353 0.601 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)n1 ZINC001581753986 1165867518 /nfs/dbraw/zinc/86/75/18/1165867518.db2.gz BCEKUIZNUWZMCP-VHSXEESVSA-N -1 1 317.353 0.601 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(Cl)cn2)n1 ZINC001581753571 1165868658 /nfs/dbraw/zinc/86/86/58/1165868658.db2.gz KADUZHILRKCLNM-UHFFFAOYSA-N -1 1 318.728 0.830 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(Cl)cn2)n1 ZINC001581753571 1165868662 /nfs/dbraw/zinc/86/86/62/1165868662.db2.gz KADUZHILRKCLNM-UHFFFAOYSA-N -1 1 318.728 0.830 20 0 DCADMM Cn1ccnc1CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581799812 1165878438 /nfs/dbraw/zinc/87/84/38/1165878438.db2.gz SVWZIUUIKRQXBO-UHFFFAOYSA-N -1 1 318.366 0.661 20 0 DCADMM Cn1cnc(CCNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001581807953 1165879045 /nfs/dbraw/zinc/87/90/45/1165879045.db2.gz CIYODKAYEVUNFC-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM FC(F)(F)c1noc(CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001581851087 1165888343 /nfs/dbraw/zinc/88/83/43/1165888343.db2.gz JDGANMZINIWUFS-UHFFFAOYSA-N -1 1 313.203 0.671 20 0 DCADMM FC(F)(F)c1noc(CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001581851087 1165888349 /nfs/dbraw/zinc/88/83/49/1165888349.db2.gz JDGANMZINIWUFS-UHFFFAOYSA-N -1 1 313.203 0.671 20 0 DCADMM NC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001581901762 1165906657 /nfs/dbraw/zinc/90/66/57/1165906657.db2.gz BRYGGECWOXHBNX-SFYZADRCSA-N -1 1 320.378 0.446 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCOc1ccc(F)cc1 ZINC001581908947 1165908443 /nfs/dbraw/zinc/90/84/43/1165908443.db2.gz IUWHCULHCOFRIO-UHFFFAOYSA-N -1 1 317.284 0.894 20 0 DCADMM NC(=O)c1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001581905610 1165910431 /nfs/dbraw/zinc/91/04/31/1165910431.db2.gz SPORRCNFQVGRJJ-UHFFFAOYSA-N -1 1 323.316 0.542 20 0 DCADMM NC(=O)c1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001581905610 1165910435 /nfs/dbraw/zinc/91/04/35/1165910435.db2.gz SPORRCNFQVGRJJ-UHFFFAOYSA-N -1 1 323.316 0.542 20 0 DCADMM O=C(CN1CSCC1=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582106898 1165957152 /nfs/dbraw/zinc/95/71/52/1165957152.db2.gz YOQPMUBJGCOKLP-UHFFFAOYSA-N -1 1 324.391 0.077 20 0 DCADMM O=C(COC[C@@H]1CCCO1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582126559 1165962806 /nfs/dbraw/zinc/96/28/06/1165962806.db2.gz VQFGFNIMNLZSFE-VIFPVBQESA-N -1 1 323.378 0.740 20 0 DCADMM O=C(Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O)c1ccc(F)cc1 ZINC001582185892 1165978455 /nfs/dbraw/zinc/97/84/55/1165978455.db2.gz XOBSKVQAJCIZIT-UHFFFAOYSA-N -1 1 316.252 0.151 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)c1ccc(F)cc1F ZINC001582197834 1165981239 /nfs/dbraw/zinc/98/12/39/1165981239.db2.gz BGIUNXSTJZNWSF-UHFFFAOYSA-N -1 1 318.243 0.585 20 0 DCADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001582317136 1166000664 /nfs/dbraw/zinc/00/06/64/1166000664.db2.gz IMCSDIHKYNAUPR-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001582321897 1166002273 /nfs/dbraw/zinc/00/22/73/1166002273.db2.gz IVIFEEFTHRMHLM-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001582321897 1166002279 /nfs/dbraw/zinc/00/22/79/1166002279.db2.gz IVIFEEFTHRMHLM-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1CCn2ccnc2C1)c1csc(-c2nn[n-]n2)c1 ZINC001582329366 1166002549 /nfs/dbraw/zinc/00/25/49/1166002549.db2.gz RBMCNBPQLNJADS-VIFPVBQESA-N -1 1 315.362 0.870 20 0 DCADMM O=C(NCC=CCNc1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001582491782 1166026508 /nfs/dbraw/zinc/02/65/08/1166026508.db2.gz GCAHNHMCWZATAK-OWOJBTEDSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCC=CCNc1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001582491782 1166026512 /nfs/dbraw/zinc/02/65/12/1166026512.db2.gz GCAHNHMCWZATAK-OWOJBTEDSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCc2nccn2C1 ZINC001582554438 1166041933 /nfs/dbraw/zinc/04/19/33/1166041933.db2.gz JGSAJBTVMAFDAU-LLVKDONJSA-N -1 1 324.348 0.337 20 0 DCADMM O=C(NCc1nccnc1Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001582560008 1166044609 /nfs/dbraw/zinc/04/46/09/1166044609.db2.gz PVSDDASBSZPYDB-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(NCc1nccnc1Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001582560008 1166044618 /nfs/dbraw/zinc/04/46/18/1166044618.db2.gz PVSDDASBSZPYDB-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(NCc1nnc2n1CCC2)c1csc(-c2nn[n-]n2)c1 ZINC001582560455 1166046377 /nfs/dbraw/zinc/04/63/77/1166046377.db2.gz YZMWTOWRRFYBEA-UHFFFAOYSA-N -1 1 316.350 0.396 20 0 DCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001582568816 1166048239 /nfs/dbraw/zinc/04/82/39/1166048239.db2.gz SRMDGZAKLYFAPX-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001582568816 1166048243 /nfs/dbraw/zinc/04/82/43/1166048243.db2.gz SRMDGZAKLYFAPX-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N(CCO)Cc1cccnc1 ZINC001582742124 1166072197 /nfs/dbraw/zinc/07/21/97/1166072197.db2.gz RIIKURGELKHLJO-UHFFFAOYSA-N -1 1 314.305 0.489 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N(CCO)Cc1cccnc1 ZINC001582742124 1166072206 /nfs/dbraw/zinc/07/22/06/1166072206.db2.gz RIIKURGELKHLJO-UHFFFAOYSA-N -1 1 314.305 0.489 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOC[C@@]12CCOC2 ZINC001582744769 1166074938 /nfs/dbraw/zinc/07/49/38/1166074938.db2.gz HFZWYCWHSFFYTH-ZDUSSCGKSA-N -1 1 321.362 0.560 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cc(Br)no1 ZINC001582806427 1166077468 /nfs/dbraw/zinc/07/74/68/1166077468.db2.gz CCTCHRXYDXOKDD-UHFFFAOYSA-N -1 1 324.098 0.222 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1cccc(F)c1Cl ZINC001582805983 1166085297 /nfs/dbraw/zinc/08/52/97/1166085297.db2.gz BHYFNDIFPDQNCX-UHFFFAOYSA-N -1 1 322.687 0.970 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1cc(F)ccc1Cl ZINC001582806506 1166086113 /nfs/dbraw/zinc/08/61/13/1166086113.db2.gz MJLAGKHQAIFUFM-UHFFFAOYSA-N -1 1 322.687 0.970 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CCc1c(F)cccc1F ZINC001582806446 1166086469 /nfs/dbraw/zinc/08/64/69/1166086469.db2.gz JXHUKJNPLYRPLC-UHFFFAOYSA-N -1 1 320.259 0.650 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CC[C@@H](O)c1ccccc1 ZINC001582807161 1166089328 /nfs/dbraw/zinc/08/93/28/1166089328.db2.gz WYFZSVGPSMUVAC-LLVKDONJSA-N -1 1 314.305 0.253 20 0 DCADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCn2nccc2C1 ZINC001585185032 1166410076 /nfs/dbraw/zinc/41/00/76/1166410076.db2.gz SLDZELRQQXSXCU-UHFFFAOYSA-N -1 1 300.347 0.871 20 0 DCADMM CN(C(=O)c1ccc(NCCn2ccnc2)cc1)c1nn[n-]n1 ZINC001585910597 1166468740 /nfs/dbraw/zinc/46/87/40/1166468740.db2.gz GTGBASQEVKYWBU-UHFFFAOYSA-N -1 1 312.337 0.785 20 0 DCADMM CN(C(=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2)c1nn[n-]n1 ZINC001585910758 1166469198 /nfs/dbraw/zinc/46/91/98/1166469198.db2.gz NFXOHMHQPQTNLH-UHFFFAOYSA-N -1 1 312.215 0.766 20 0 DCADMM CC(=O)CN(CC(C)C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001588796770 1166590688 /nfs/dbraw/zinc/59/06/88/1166590688.db2.gz GBPZMYDXBHPJMA-UHFFFAOYSA-N -1 1 320.353 0.779 20 0 DCADMM CC(=O)CN(CC(C)C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001588796770 1166590697 /nfs/dbraw/zinc/59/06/97/1166590697.db2.gz GBPZMYDXBHPJMA-UHFFFAOYSA-N -1 1 320.353 0.779 20 0 DCADMM CC(=O)N1C[C@@H](C)[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588806975 1166592144 /nfs/dbraw/zinc/59/21/44/1166592144.db2.gz QRSGRWKXHHLONG-HQJQHLMTSA-N -1 1 302.342 0.244 20 0 DCADMM CC(=O)N1C[C@@H](C)[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588806975 1166592149 /nfs/dbraw/zinc/59/21/49/1166592149.db2.gz QRSGRWKXHHLONG-HQJQHLMTSA-N -1 1 302.342 0.244 20 0 DCADMM CC(=O)N1CC[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001588826046 1166599610 /nfs/dbraw/zinc/59/96/10/1166599610.db2.gz KJIGWQSKDTUDPX-MRVPVSSYSA-N -1 1 307.335 0.706 20 0 DCADMM CC(=O)N[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)C(C)C ZINC001588828581 1166600675 /nfs/dbraw/zinc/60/06/75/1166600675.db2.gz QGGQUMWFQOEIIP-NSHDSACASA-N -1 1 307.310 0.664 20 0 DCADMM CC(=O)N[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)C(C)C ZINC001588828581 1166600678 /nfs/dbraw/zinc/60/06/78/1166600678.db2.gz QGGQUMWFQOEIIP-NSHDSACASA-N -1 1 307.310 0.664 20 0 DCADMM CC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)[C@@H](C)C1 ZINC001588823030 1166601488 /nfs/dbraw/zinc/60/14/88/1166601488.db2.gz JCWDYHYRZRFXJH-QMMMGPOBSA-N -1 1 318.337 0.461 20 0 DCADMM CC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)[C@@H](C)C1 ZINC001588823030 1166601495 /nfs/dbraw/zinc/60/14/95/1166601495.db2.gz JCWDYHYRZRFXJH-QMMMGPOBSA-N -1 1 318.337 0.461 20 0 DCADMM CC(=O)NC(C)(C)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588831509 1166602729 /nfs/dbraw/zinc/60/27/29/1166602729.db2.gz WQFDRMMBRYUVMI-UHFFFAOYSA-N -1 1 318.337 0.262 20 0 DCADMM CC(=O)NC(C)(C)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588831509 1166602735 /nfs/dbraw/zinc/60/27/35/1166602735.db2.gz WQFDRMMBRYUVMI-UHFFFAOYSA-N -1 1 318.337 0.262 20 0 DCADMM CC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)CC(C)C ZINC001588838237 1166604271 /nfs/dbraw/zinc/60/42/71/1166604271.db2.gz VSZYYJZNXDHRFU-SNVBAGLBSA-N -1 1 304.358 0.619 20 0 DCADMM CC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)CC(C)C ZINC001588838237 1166604275 /nfs/dbraw/zinc/60/42/75/1166604275.db2.gz VSZYYJZNXDHRFU-SNVBAGLBSA-N -1 1 304.358 0.619 20 0 DCADMM CC(=O)NCC[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001588857274 1166609101 /nfs/dbraw/zinc/60/91/01/1166609101.db2.gz FUWFRZJLHPXWCQ-LLVKDONJSA-N -1 1 316.369 0.399 20 0 DCADMM CC(=O)NCC[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001588857274 1166609107 /nfs/dbraw/zinc/60/91/07/1166609107.db2.gz FUWFRZJLHPXWCQ-LLVKDONJSA-N -1 1 316.369 0.399 20 0 DCADMM CC(=O)NCCCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001588862168 1166611397 /nfs/dbraw/zinc/61/13/97/1166611397.db2.gz OSDWOJRUYOILLL-UHFFFAOYSA-N -1 1 306.301 0.262 20 0 DCADMM CC(=O)NCCCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001588862168 1166611402 /nfs/dbraw/zinc/61/14/02/1166611402.db2.gz OSDWOJRUYOILLL-UHFFFAOYSA-N -1 1 306.301 0.262 20 0 DCADMM C[C@@H](C(=O)N1CC[C@@]2(CC2(F)F)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951663 1166621596 /nfs/dbraw/zinc/62/15/96/1166621596.db2.gz IKZQZSKJMWSKCL-WRWORJQWSA-N -1 1 324.295 0.277 20 0 DCADMM C[C@@H](C(=O)N1CCC[C@H](CF)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588954852 1166622109 /nfs/dbraw/zinc/62/21/09/1166622109.db2.gz PGZQQSSGOFOSBC-DTWKUNHWSA-N -1 1 308.321 0.227 20 0 DCADMM C[C@@H](C(=O)N1CC[C@H]1C(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588952530 1166622309 /nfs/dbraw/zinc/62/23/09/1166622309.db2.gz WJWSQTMLYIOJNJ-IUCAKERBSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@H](C(=O)N[C@@H]1CCC[C@H](F)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588973192 1166623757 /nfs/dbraw/zinc/62/37/57/1166623757.db2.gz PHSSEOLBPGSGGX-HRDYMLBCSA-N -1 1 308.321 0.416 20 0 DCADMM C[C@H](C(=O)N[C@@H]1C[C@H]1C1CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589006224 1166626913 /nfs/dbraw/zinc/62/69/13/1166626913.db2.gz DIYPGCRNAJCHSR-FKTZTGRPSA-N -1 1 302.342 0.324 20 0 DCADMM C[C@H](C(=O)NCCCc1ccco1)n1cnc(-c2nn[n-]n2)n1 ZINC001588991875 1166626958 /nfs/dbraw/zinc/62/69/58/1166626958.db2.gz RCVGAAONVUULIT-SECBINFHSA-N -1 1 316.325 0.361 20 0 DCADMM C[C@H](C(=O)NCCSC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588991095 1166627122 /nfs/dbraw/zinc/62/71/22/1166627122.db2.gz AWQHNHBAYZBPQB-MRVPVSSYSA-N -1 1 324.414 0.667 20 0 DCADMM C[C@H](C(=O)NCCCC(F)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588990947 1166627173 /nfs/dbraw/zinc/62/71/73/1166627173.db2.gz ZAELVENBFIDCSE-ZCFIWIBFSA-N -1 1 318.263 0.478 20 0 DCADMM C[C@@H](C(=O)NCCNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588992473 1166627303 /nfs/dbraw/zinc/62/73/03/1166627303.db2.gz STYMWTMWJINDCA-VIFPVBQESA-N -1 1 318.385 0.289 20 0 DCADMM C[C@H](C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588989873 1166627318 /nfs/dbraw/zinc/62/73/18/1166627318.db2.gz CCVLWSFISHGPQU-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588989873 1166627321 /nfs/dbraw/zinc/62/73/21/1166627321.db2.gz CCVLWSFISHGPQU-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](C(=O)Nc1cnnc(Cl)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589021945 1166628416 /nfs/dbraw/zinc/62/84/16/1166628416.db2.gz SRCPWIXEOMUUAM-YFKPBYRVSA-N -1 1 320.704 0.101 20 0 DCADMM C[C@@H](C(=O)Nc1cnc2ccccn21)n1cnc(-c2nn[n-]n2)n1 ZINC001589021537 1166628690 /nfs/dbraw/zinc/62/86/90/1166628690.db2.gz ONZHKNJGOSRSEI-QMMMGPOBSA-N -1 1 324.308 0.306 20 0 DCADMM C[C@@H](C(=O)Nc1cc(Cl)ccn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589011897 1166629278 /nfs/dbraw/zinc/62/92/78/1166629278.db2.gz QTNXMZNXUCJQNJ-LURJTMIESA-N -1 1 319.716 0.706 20 0 DCADMM C[C@@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001589020211 1166629418 /nfs/dbraw/zinc/62/94/18/1166629418.db2.gz DZGAOBODJNVJFH-LURJTMIESA-N -1 1 307.314 0.506 20 0 DCADMM C[C@H](C(=O)OC[C@@H]1CCC(C)(C)O1)n1cnc(-c2nn[n-]n2)n1 ZINC001589025801 1166629624 /nfs/dbraw/zinc/62/96/24/1166629624.db2.gz FAPGYFVSXNIBLM-BDAKNGLRSA-N -1 1 321.341 0.520 20 0 DCADMM C[C@H](C(=O)OC(C1CC1)C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589026678 1166630603 /nfs/dbraw/zinc/63/06/03/1166630603.db2.gz KBAINNULTYXRBK-SSDOTTSWSA-N -1 1 303.326 0.751 20 0 DCADMM C[C@H](C(=O)OCC[C@@H]1CCCCO1)n1cnc(-c2nn[n-]n2)n1 ZINC001589027937 1166630951 /nfs/dbraw/zinc/63/09/51/1166630951.db2.gz RGTUSADBNMTPRG-ZJUUUORDSA-N -1 1 321.341 0.522 20 0 DCADMM CC(C)(C(=O)Nc1ncc(-c2nnn[n-]2)s1)N1CCOCC1 ZINC001589059335 1166632719 /nfs/dbraw/zinc/63/27/19/1166632719.db2.gz SHDQAUUYAZHNEL-UHFFFAOYSA-N -1 1 323.382 0.373 20 0 DCADMM CC(C)(C(=O)Nc1ncc(-c2nn[n-]n2)s1)N1CCOCC1 ZINC001589059335 1166632724 /nfs/dbraw/zinc/63/27/24/1166632724.db2.gz SHDQAUUYAZHNEL-UHFFFAOYSA-N -1 1 323.382 0.373 20 0 DCADMM CC(C)(C)[C@@H](O)C[C@H](CO)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589095496 1166635790 /nfs/dbraw/zinc/63/57/90/1166635790.db2.gz KJTHHFXIMPADIU-PWSUYJOCSA-N -1 1 306.370 0.254 20 0 DCADMM CC(C)(C)[C@@H](O)C[C@H](CO)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589095496 1166635791 /nfs/dbraw/zinc/63/57/91/1166635791.db2.gz KJTHHFXIMPADIU-PWSUYJOCSA-N -1 1 306.370 0.254 20 0 DCADMM CC(C)(C)OC(=O)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001589151664 1166637488 /nfs/dbraw/zinc/63/74/88/1166637488.db2.gz NQQBZUUXXSNTLO-UHFFFAOYSA-N -1 1 305.342 0.612 20 0 DCADMM CC(C)(C)OC(=O)[C@](C)(O)CNc1ccnc(-c2nnn[n-]2)c1 ZINC001589145236 1166638554 /nfs/dbraw/zinc/63/85/54/1166638554.db2.gz LAVSEQKDRYEEIA-CQSZACIVSA-N -1 1 320.353 0.188 20 0 DCADMM CC(C)(C)OC(=O)[C@](C)(O)CNc1ccnc(-c2nn[n-]n2)c1 ZINC001589145236 1166638558 /nfs/dbraw/zinc/63/85/58/1166638558.db2.gz LAVSEQKDRYEEIA-CQSZACIVSA-N -1 1 320.353 0.188 20 0 DCADMM CC(C)(O)C(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589327314 1166647206 /nfs/dbraw/zinc/64/72/06/1166647206.db2.gz SQMNFPDIDJQGRN-UHFFFAOYSA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(O)C(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589327314 1166647212 /nfs/dbraw/zinc/64/72/12/1166647212.db2.gz SQMNFPDIDJQGRN-UHFFFAOYSA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)C(=O)NCCCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589404240 1166657019 /nfs/dbraw/zinc/65/70/19/1166657019.db2.gz URUAXSLKXSARHY-UHFFFAOYSA-N -1 1 322.394 0.820 20 0 DCADMM CC(C)C(=O)NCCCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589404240 1166657021 /nfs/dbraw/zinc/65/70/21/1166657021.db2.gz URUAXSLKXSARHY-UHFFFAOYSA-N -1 1 322.394 0.820 20 0 DCADMM CC(C)[C@@H]1N(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001589520119 1166664506 /nfs/dbraw/zinc/66/45/06/1166664506.db2.gz OUZYYHLBPVPLRC-ZJUUUORDSA-N -1 1 318.385 0.912 20 0 DCADMM CC(C)OC[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001589746245 1166681871 /nfs/dbraw/zinc/68/18/71/1166681871.db2.gz QADOVWJVPAYQRO-NSHDSACASA-N -1 1 304.354 0.892 20 0 DCADMM CC(C)OC[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001589746245 1166681874 /nfs/dbraw/zinc/68/18/74/1166681874.db2.gz QADOVWJVPAYQRO-NSHDSACASA-N -1 1 304.354 0.892 20 0 DCADMM CC(C)SCCNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589761531 1166682508 /nfs/dbraw/zinc/68/25/08/1166682508.db2.gz WGCKWICPDZPTNJ-MRVPVSSYSA-N -1 1 310.387 0.277 20 0 DCADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ncon1 ZINC001589863589 1166703050 /nfs/dbraw/zinc/70/30/50/1166703050.db2.gz BAXZHVWFDLFPED-LURJTMIESA-N -1 1 305.323 0.845 20 0 DCADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ncon1 ZINC001589863589 1166703057 /nfs/dbraw/zinc/70/30/57/1166703057.db2.gz BAXZHVWFDLFPED-LURJTMIESA-N -1 1 305.323 0.845 20 0 DCADMM C[C@@H](CO)N(CC1CCC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589883318 1166707414 /nfs/dbraw/zinc/70/74/14/1166707414.db2.gz ZAJXRUOHIKGXJA-JTQLQIEISA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](CO)N(CC1CCC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589883318 1166707423 /nfs/dbraw/zinc/70/74/23/1166707423.db2.gz ZAJXRUOHIKGXJA-JTQLQIEISA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCOC1 ZINC001589926318 1166720925 /nfs/dbraw/zinc/72/09/25/1166720925.db2.gz LEOOJWGZKWWTRR-ZYHUDNBSSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCOC1 ZINC001589926318 1166720930 /nfs/dbraw/zinc/72/09/30/1166720930.db2.gz LEOOJWGZKWWTRR-ZYHUDNBSSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1nccc(N)n1 ZINC001589946074 1166728823 /nfs/dbraw/zinc/72/88/23/1166728823.db2.gz LKFLFNAZUSHIIB-ZETCQYMHSA-N -1 1 311.309 0.125 20 0 DCADMM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1nccc(N)n1 ZINC001589946074 1166728828 /nfs/dbraw/zinc/72/88/28/1166728828.db2.gz LKFLFNAZUSHIIB-ZETCQYMHSA-N -1 1 311.309 0.125 20 0 DCADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)C(=O)NCc1ccco1 ZINC001589982469 1166735610 /nfs/dbraw/zinc/73/56/10/1166735610.db2.gz XTNCQOYMMVINEJ-QMMMGPOBSA-N -1 1 314.309 0.367 20 0 DCADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)C(=O)NCc1ccco1 ZINC001589982469 1166735617 /nfs/dbraw/zinc/73/56/17/1166735617.db2.gz XTNCQOYMMVINEJ-QMMMGPOBSA-N -1 1 314.309 0.367 20 0 DCADMM C[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(=O)NCCF ZINC001589989366 1166739071 /nfs/dbraw/zinc/73/90/71/1166739071.db2.gz DFGWFDCJLJTVLF-BYPYZUCNSA-N -1 1 319.753 0.863 20 0 DCADMM C[C@H](O)C[C@H]1CCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001589996411 1166743321 /nfs/dbraw/zinc/74/33/21/1166743321.db2.gz IKTCBWYKHFOVMM-WDEREUQCSA-N -1 1 304.354 0.221 20 0 DCADMM C[C@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)NC1CC1 ZINC001590011833 1166753340 /nfs/dbraw/zinc/75/33/40/1166753340.db2.gz ZURMLQNHGMZUMI-ZETCQYMHSA-N -1 1 319.296 0.830 20 0 DCADMM C[C@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)NC1CC1 ZINC001590011833 1166753345 /nfs/dbraw/zinc/75/33/45/1166753345.db2.gz ZURMLQNHGMZUMI-ZETCQYMHSA-N -1 1 319.296 0.830 20 0 DCADMM C[C@@]1(C(N)=O)CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590072512 1166765829 /nfs/dbraw/zinc/76/58/29/1166765829.db2.gz IXQIORFFFHOKBC-GFCCVEGCSA-N -1 1 306.351 0.266 20 0 DCADMM C[C@@]1(C(N)=O)CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590072512 1166765837 /nfs/dbraw/zinc/76/58/37/1166765837.db2.gz IXQIORFFFHOKBC-GFCCVEGCSA-N -1 1 306.351 0.266 20 0 DCADMM C[C@]1(C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCC(=O)NC1 ZINC001590074625 1166766211 /nfs/dbraw/zinc/76/62/11/1166766211.db2.gz VTCSLXFKCQYLGQ-ZDUSSCGKSA-N -1 1 321.362 0.888 20 0 DCADMM CC1(C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@@H](CO)O1 ZINC001590104161 1166774639 /nfs/dbraw/zinc/77/46/39/1166774639.db2.gz TXSLTNKJFCYYDQ-VIFPVBQESA-N -1 1 307.310 0.072 20 0 DCADMM CC1(C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@@H](CO)O1 ZINC001590104161 1166774647 /nfs/dbraw/zinc/77/46/47/1166774647.db2.gz TXSLTNKJFCYYDQ-VIFPVBQESA-N -1 1 307.310 0.072 20 0 DCADMM CC1(C)OC[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)O1 ZINC001590115297 1166779099 /nfs/dbraw/zinc/77/90/99/1166779099.db2.gz PENPMCWSUZJGAU-MRVPVSSYSA-N -1 1 304.310 0.143 20 0 DCADMM CC1(C)OC[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)O1 ZINC001590115297 1166779106 /nfs/dbraw/zinc/77/91/06/1166779106.db2.gz PENPMCWSUZJGAU-MRVPVSSYSA-N -1 1 304.310 0.143 20 0 DCADMM CC1(CCNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)OCCO1 ZINC001590125687 1166782233 /nfs/dbraw/zinc/78/22/33/1166782233.db2.gz SQJZQJYYFVJATC-UHFFFAOYSA-N -1 1 318.337 0.074 20 0 DCADMM CC1(CCNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)OCCO1 ZINC001590125687 1166782241 /nfs/dbraw/zinc/78/22/41/1166782241.db2.gz SQJZQJYYFVJATC-UHFFFAOYSA-N -1 1 318.337 0.074 20 0 DCADMM C[C@]1(C2CC2)NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001590121962 1166782422 /nfs/dbraw/zinc/78/24/22/1166782422.db2.gz JOGMLXIXOPFAIT-GFCCVEGCSA-N -1 1 319.350 0.544 20 0 DCADMM C[C@]1(C2CC2)NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001590121962 1166782431 /nfs/dbraw/zinc/78/24/31/1166782431.db2.gz JOGMLXIXOPFAIT-GFCCVEGCSA-N -1 1 319.350 0.544 20 0 DCADMM C[C@]1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCCCO1 ZINC001590132980 1166785969 /nfs/dbraw/zinc/78/59/69/1166785969.db2.gz XHKCQMNNRAAFLR-CQSZACIVSA-N -1 1 302.338 0.951 20 0 DCADMM C[C@]1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCCO1 ZINC001590132980 1166785970 /nfs/dbraw/zinc/78/59/70/1166785970.db2.gz XHKCQMNNRAAFLR-CQSZACIVSA-N -1 1 302.338 0.951 20 0 DCADMM CC1(NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001590142692 1166787426 /nfs/dbraw/zinc/78/74/26/1166787426.db2.gz OBUWXRSWOBSHCW-UHFFFAOYSA-N -1 1 301.310 0.259 20 0 DCADMM CC1(NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001590142692 1166787430 /nfs/dbraw/zinc/78/74/30/1166787430.db2.gz OBUWXRSWOBSHCW-UHFFFAOYSA-N -1 1 301.310 0.259 20 0 DCADMM C[C@H]1C(=O)N(C)CN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590163349 1166792259 /nfs/dbraw/zinc/79/22/59/1166792259.db2.gz ICDUFHFLYMAGNN-ZETCQYMHSA-N -1 1 304.285 0.266 20 0 DCADMM C[C@H]1C(=O)N(C)CN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590163349 1166792263 /nfs/dbraw/zinc/79/22/63/1166792263.db2.gz ICDUFHFLYMAGNN-ZETCQYMHSA-N -1 1 304.285 0.266 20 0 DCADMM CC1=C(C)C[C@H](C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590160387 1166793188 /nfs/dbraw/zinc/79/31/88/1166793188.db2.gz SBZSCEMEPBACDE-LLVKDONJSA-N -1 1 316.369 0.711 20 0 DCADMM C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590166728 1166795650 /nfs/dbraw/zinc/79/56/50/1166795650.db2.gz GVYQKXNINPFFNG-IWSPIJDZSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590166728 1166795657 /nfs/dbraw/zinc/79/56/57/1166795657.db2.gz GVYQKXNINPFFNG-IWSPIJDZSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H](C)O1 ZINC001590199479 1166808960 /nfs/dbraw/zinc/80/89/60/1166808960.db2.gz KYIWQBLIYKSJQS-WEDXCCLWSA-N -1 1 303.326 0.949 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H](C)O1 ZINC001590199479 1166808964 /nfs/dbraw/zinc/80/89/64/1166808964.db2.gz KYIWQBLIYKSJQS-WEDXCCLWSA-N -1 1 303.326 0.949 20 0 DCADMM C[C@H](C(=O)N1C[C@H](C)CC[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590227321 1166821788 /nfs/dbraw/zinc/82/17/88/1166821788.db2.gz NAXHRTQQVXVHGL-KXUCPTDWSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@H]1CCCCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590253380 1166827783 /nfs/dbraw/zinc/82/77/83/1166827783.db2.gz DTYPQMNHFQGNCY-JTQLQIEISA-N -1 1 319.373 0.290 20 0 DCADMM C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590256466 1166828309 /nfs/dbraw/zinc/82/83/09/1166828309.db2.gz FDEFSNVPVKSFLO-VIFPVBQESA-N -1 1 315.337 0.459 20 0 DCADMM C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590256466 1166828315 /nfs/dbraw/zinc/82/83/15/1166828315.db2.gz FDEFSNVPVKSFLO-VIFPVBQESA-N -1 1 315.337 0.459 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@H]1CO ZINC001590267048 1166832414 /nfs/dbraw/zinc/83/24/14/1166832414.db2.gz ISKCTWMLNUQCFZ-ZJUUUORDSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@H]1CO ZINC001590267048 1166832419 /nfs/dbraw/zinc/83/24/19/1166832419.db2.gz ISKCTWMLNUQCFZ-ZJUUUORDSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1n1ccnc1 ZINC001590274760 1166834131 /nfs/dbraw/zinc/83/41/31/1166834131.db2.gz PMGMEQWKSHJZGZ-QWRGUYRKSA-N -1 1 311.353 0.941 20 0 DCADMM C[C@H]1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)CCS1 ZINC001590273070 1166835221 /nfs/dbraw/zinc/83/52/21/1166835221.db2.gz UUARKXVFJMPQTL-JTQLQIEISA-N -1 1 306.395 0.813 20 0 DCADMM C[C@@H]1CCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)CCO1 ZINC001590276230 1166837613 /nfs/dbraw/zinc/83/76/13/1166837613.db2.gz KWCWAKOLLKCMPT-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@H]1CO ZINC001590277328 1166838655 /nfs/dbraw/zinc/83/86/55/1166838655.db2.gz VJKGBGMMFRCRPT-ONGXEEELSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@H]1CO ZINC001590277328 1166838659 /nfs/dbraw/zinc/83/86/59/1166838659.db2.gz VJKGBGMMFRCRPT-ONGXEEELSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@@H]1CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC[C@H]1O ZINC001590290966 1166841902 /nfs/dbraw/zinc/84/19/02/1166841902.db2.gz LMOHZELVDNNXQT-VXNVDRBHSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H]1CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC[C@H]1O ZINC001590290966 1166841905 /nfs/dbraw/zinc/84/19/05/1166841905.db2.gz LMOHZELVDNNXQT-VXNVDRBHSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H]1COCC[C@H]1CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590322748 1166861624 /nfs/dbraw/zinc/86/16/24/1166861624.db2.gz GTFHVDHEXPBZQE-PWSUYJOCSA-N -1 1 316.365 0.593 20 0 DCADMM C[C@@H]1COCC[C@H]1CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590322748 1166861647 /nfs/dbraw/zinc/86/16/47/1166861647.db2.gz GTFHVDHEXPBZQE-PWSUYJOCSA-N -1 1 316.365 0.593 20 0 DCADMM C[C@H]1COC[C@@H]1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590322914 1166864179 /nfs/dbraw/zinc/86/41/79/1166864179.db2.gz DDIOIEHDECUMOL-WKEGUHRASA-N -1 1 309.276 0.910 20 0 DCADMM C[C@H]1COC[C@@H]1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590322914 1166864182 /nfs/dbraw/zinc/86/41/82/1166864182.db2.gz DDIOIEHDECUMOL-WKEGUHRASA-N -1 1 309.276 0.910 20 0 DCADMM C[C@H]1OCC[C@@]1(C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590333888 1166871861 /nfs/dbraw/zinc/87/18/61/1166871861.db2.gz LNNGYPXNFKRODU-AMIZOPFISA-N -1 1 303.326 0.951 20 0 DCADMM C[C@H]1OCC[C@@]1(C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590333888 1166871864 /nfs/dbraw/zinc/87/18/64/1166871864.db2.gz LNNGYPXNFKRODU-AMIZOPFISA-N -1 1 303.326 0.951 20 0 DCADMM C/C=C(\C)C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590347329 1166878976 /nfs/dbraw/zinc/87/89/76/1166878976.db2.gz OWPFDYPXBKQEPE-VHODGJRUSA-N -1 1 316.369 0.848 20 0 DCADMM C/C=C(\C)C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590347329 1166878979 /nfs/dbraw/zinc/87/89/79/1166878979.db2.gz OWPFDYPXBKQEPE-VHODGJRUSA-N -1 1 316.369 0.848 20 0 DCADMM C/C=C(/C)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590349157 1166880404 /nfs/dbraw/zinc/88/04/04/1166880404.db2.gz ZQDUKGXVBMMGGS-HYHWUIIZSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(/C)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590349157 1166880412 /nfs/dbraw/zinc/88/04/12/1166880412.db2.gz ZQDUKGXVBMMGGS-HYHWUIIZSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(\C)C(=O)NCCN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001590351692 1166882663 /nfs/dbraw/zinc/88/26/63/1166882663.db2.gz ZIWRQHUZLOFZLL-ONNFQVAWSA-N -1 1 316.369 0.565 20 0 DCADMM C/C=C(\C)C(=O)NCCN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001590351692 1166882670 /nfs/dbraw/zinc/88/26/70/1166882670.db2.gz ZIWRQHUZLOFZLL-ONNFQVAWSA-N -1 1 316.369 0.565 20 0 DCADMM CCC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590361387 1166883727 /nfs/dbraw/zinc/88/37/27/1166883727.db2.gz ATOJTEPILWRHMA-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590361387 1166883732 /nfs/dbraw/zinc/88/37/32/1166883732.db2.gz ATOJTEPILWRHMA-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CC[C@@](C)(O)c1cn(Cc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001590383436 1166894899 /nfs/dbraw/zinc/89/48/99/1166894899.db2.gz DJIUIYYXGYDSIK-CYBMUJFWSA-N -1 1 300.326 0.519 20 0 DCADMM CC[C@@](C)(O)c1cn(Cc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001590383436 1166894903 /nfs/dbraw/zinc/89/49/03/1166894903.db2.gz DJIUIYYXGYDSIK-CYBMUJFWSA-N -1 1 300.326 0.519 20 0 DCADMM CC[C@@](C)(CCO)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590382862 1166895861 /nfs/dbraw/zinc/89/58/61/1166895861.db2.gz WDTJFVQDAPETEU-AWEZNQCLSA-N -1 1 304.354 0.472 20 0 DCADMM CC[C@@](C)(CCO)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590382862 1166895865 /nfs/dbraw/zinc/89/58/65/1166895865.db2.gz WDTJFVQDAPETEU-AWEZNQCLSA-N -1 1 304.354 0.472 20 0 DCADMM CC[C@H](C)N(CC(=O)OC)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590412184 1166900087 /nfs/dbraw/zinc/90/00/87/1166900087.db2.gz MKFJOGLNJNPOGC-VIFPVBQESA-N -1 1 318.337 0.675 20 0 DCADMM CC[C@H](C)N(CC(=O)OC)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590412184 1166900094 /nfs/dbraw/zinc/90/00/94/1166900094.db2.gz MKFJOGLNJNPOGC-VIFPVBQESA-N -1 1 318.337 0.675 20 0 DCADMM CC[C@@H](C)CC(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001590404483 1166900677 /nfs/dbraw/zinc/90/06/77/1166900677.db2.gz QEJRTVNYIBJAQE-SECBINFHSA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@@H](C)CC(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001590404483 1166900681 /nfs/dbraw/zinc/90/06/81/1166900681.db2.gz QEJRTVNYIBJAQE-SECBINFHSA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001590443023 1166904483 /nfs/dbraw/zinc/90/44/83/1166904483.db2.gz PLIXCAFMHKHZGK-MRVPVSSYSA-N -1 1 304.310 0.191 20 0 DCADMM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC001590443023 1166904486 /nfs/dbraw/zinc/90/44/86/1166904486.db2.gz PLIXCAFMHKHZGK-MRVPVSSYSA-N -1 1 304.310 0.191 20 0 DCADMM CC[C@@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)C(=O)OC ZINC001590445449 1166908453 /nfs/dbraw/zinc/90/84/53/1166908453.db2.gz ZKMGMNBHKIPFOY-ZETCQYMHSA-N -1 1 309.351 0.857 20 0 DCADMM CC[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)[C@@H](C)O ZINC001590457505 1166915591 /nfs/dbraw/zinc/91/55/91/1166915591.db2.gz REASBEMLPNPFQQ-APPZFPTMSA-N -1 1 306.326 0.165 20 0 DCADMM CC[C@@]1(C)CN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CCO1 ZINC001590490364 1166922015 /nfs/dbraw/zinc/92/20/15/1166922015.db2.gz LDKYHAAFEKOLQI-RNCFNFMXSA-N -1 1 320.357 0.047 20 0 DCADMM CCC1(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC001590488339 1166922332 /nfs/dbraw/zinc/92/23/32/1166922332.db2.gz SVSMLOZXDKSRGS-UHFFFAOYSA-N -1 1 304.358 0.545 20 0 DCADMM CCC1(CC)CN(c2nccnc2-c2nnn[n-]2)CC[S@@]1=O ZINC001590493554 1166922934 /nfs/dbraw/zinc/92/29/34/1166922934.db2.gz LXLIIFDRDPNLQL-QFIPXVFZSA-N -1 1 321.410 0.784 20 0 DCADMM CCC1(CC)CN(c2nccnc2-c2nn[n-]n2)CC[S@@]1=O ZINC001590493554 1166922941 /nfs/dbraw/zinc/92/29/41/1166922941.db2.gz LXLIIFDRDPNLQL-QFIPXVFZSA-N -1 1 321.410 0.784 20 0 DCADMM CCC1(CC)CN(c2cc(-c3nnn[n-]3)ncn2)CC[S@]1=O ZINC001590492262 1166923365 /nfs/dbraw/zinc/92/33/65/1166923365.db2.gz DPNVJNFXAHMGTQ-JOCHJYFZSA-N -1 1 321.410 0.784 20 0 DCADMM CCC1(CC)CN(c2cc(-c3nn[n-]n3)ncn2)CC[S@]1=O ZINC001590492262 1166923371 /nfs/dbraw/zinc/92/33/71/1166923371.db2.gz DPNVJNFXAHMGTQ-JOCHJYFZSA-N -1 1 321.410 0.784 20 0 DCADMM CCC1(O)CN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001590499635 1166925647 /nfs/dbraw/zinc/92/56/47/1166925647.db2.gz JTTUSMIHQQUDJB-UHFFFAOYSA-N -1 1 304.310 0.009 20 0 DCADMM CCC1(O)CN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001590499635 1166925653 /nfs/dbraw/zinc/92/56/53/1166925653.db2.gz JTTUSMIHQQUDJB-UHFFFAOYSA-N -1 1 304.310 0.009 20 0 DCADMM CCC1CCC(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590508831 1166927497 /nfs/dbraw/zinc/92/74/97/1166927497.db2.gz PZOFKXDKUJBJPM-UHFFFAOYSA-N -1 1 304.358 0.543 20 0 DCADMM CC[C@H]1CCCCN1C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590511856 1166929157 /nfs/dbraw/zinc/92/91/57/1166929157.db2.gz QJQGQDURFQCYNP-ZJUUUORDSA-N -1 1 304.358 0.810 20 0 DCADMM CC[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001590518900 1166930117 /nfs/dbraw/zinc/93/01/17/1166930117.db2.gz QBCYNSRAEXWQSO-WPRPVWTQSA-N -1 1 303.326 0.496 20 0 DCADMM CC[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001590518900 1166930127 /nfs/dbraw/zinc/93/01/27/1166930127.db2.gz QBCYNSRAEXWQSO-WPRPVWTQSA-N -1 1 303.326 0.496 20 0 DCADMM CC/C=C(/C)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590526123 1166934820 /nfs/dbraw/zinc/93/48/20/1166934820.db2.gz WHBVIRJMCFYAHQ-YHYXMXQVSA-N -1 1 316.369 0.305 20 0 DCADMM CC/C=C/[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001590534022 1166936271 /nfs/dbraw/zinc/93/62/71/1166936271.db2.gz QHLGNMAWCMEYLD-ZWNMCFTASA-N -1 1 317.305 0.926 20 0 DCADMM CC/C=C/[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC001590534022 1166936279 /nfs/dbraw/zinc/93/62/79/1166936279.db2.gz QHLGNMAWCMEYLD-ZWNMCFTASA-N -1 1 317.305 0.926 20 0 DCADMM CCC[C@@H](C)[C@@H](CO)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590546928 1166940336 /nfs/dbraw/zinc/94/03/36/1166940336.db2.gz AXNVZAGRCVJEMZ-BXKDBHETSA-N -1 1 304.354 0.789 20 0 DCADMM CCC[C@@H](C)[C@@H](CO)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590546928 1166940342 /nfs/dbraw/zinc/94/03/42/1166940342.db2.gz AXNVZAGRCVJEMZ-BXKDBHETSA-N -1 1 304.354 0.789 20 0 DCADMM CCC[C@@H](C)N(C)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590551218 1166942226 /nfs/dbraw/zinc/94/22/26/1166942226.db2.gz VAFVGLZBQNGQCB-SECBINFHSA-N -1 1 307.362 0.288 20 0 DCADMM CCC[C@H](NC(=O)c1cccc(-c2nn[nH]n2)n1)c1nn[n-]n1 ZINC001590560115 1166944238 /nfs/dbraw/zinc/94/42/38/1166944238.db2.gz GMHCWJHKACHCRZ-ZETCQYMHSA-N -1 1 314.313 0.046 20 0 DCADMM CCCCC(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590572030 1166946704 /nfs/dbraw/zinc/94/67/04/1166946704.db2.gz PLVOIUGDDCXZCX-UHFFFAOYSA-N -1 1 304.358 0.187 20 0 DCADMM CCCN(CCC)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590623654 1166952228 /nfs/dbraw/zinc/95/22/28/1166952228.db2.gz KCAOBMTUTHCTLY-UHFFFAOYSA-N -1 1 317.353 0.849 20 0 DCADMM CCCN(CCC)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590623654 1166952232 /nfs/dbraw/zinc/95/22/32/1166952232.db2.gz KCAOBMTUTHCTLY-UHFFFAOYSA-N -1 1 317.353 0.849 20 0 DCADMM CCCN1CCCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC001590634969 1166955041 /nfs/dbraw/zinc/95/50/41/1166955041.db2.gz CSEBJFBDSNDLJQ-UHFFFAOYSA-N -1 1 315.381 0.706 20 0 DCADMM CCCNC(=O)[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590636316 1166958415 /nfs/dbraw/zinc/95/84/15/1166958415.db2.gz FWJAKGSOPHBYQE-MRVPVSSYSA-N -1 1 304.310 0.333 20 0 DCADMM CCCNC(=O)[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590636316 1166958418 /nfs/dbraw/zinc/95/84/18/1166958418.db2.gz FWJAKGSOPHBYQE-MRVPVSSYSA-N -1 1 304.310 0.333 20 0 DCADMM CCN(CC(C)(C)C)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590682382 1166970916 /nfs/dbraw/zinc/97/09/16/1166970916.db2.gz HQFYUNZNEVTMQC-VIFPVBQESA-N -1 1 306.374 0.914 20 0 DCADMM CCN(CC(C)(C)O)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590683172 1166971193 /nfs/dbraw/zinc/97/11/93/1166971193.db2.gz YSXJQOADYFFWPJ-UHFFFAOYSA-N -1 1 305.342 0.886 20 0 DCADMM CCN(CC(C)(C)O)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590683172 1166971196 /nfs/dbraw/zinc/97/11/96/1166971196.db2.gz YSXJQOADYFFWPJ-UHFFFAOYSA-N -1 1 305.342 0.886 20 0 DCADMM CCN(CC)C(=O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001590684159 1166974190 /nfs/dbraw/zinc/97/41/90/1166974190.db2.gz RPPIEPSGIMTCBU-UHFFFAOYSA-N -1 1 316.365 0.386 20 0 DCADMM CCN(CCCO)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590701540 1166976528 /nfs/dbraw/zinc/97/65/28/1166976528.db2.gz HFBBZBNLVWNUFG-UHFFFAOYSA-N -1 1 311.371 0.868 20 0 DCADMM CCN(CCCO)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590701540 1166976533 /nfs/dbraw/zinc/97/65/33/1166976533.db2.gz HFBBZBNLVWNUFG-UHFFFAOYSA-N -1 1 311.371 0.868 20 0 DCADMM CCN([C@@H](C)CO)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590723440 1166984217 /nfs/dbraw/zinc/98/42/17/1166984217.db2.gz GRXBSDXJXOKYPD-ZETCQYMHSA-N -1 1 317.396 0.320 20 0 DCADMM CCN([C@@H](C)CO)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590723440 1166984220 /nfs/dbraw/zinc/98/42/20/1166984220.db2.gz GRXBSDXJXOKYPD-ZETCQYMHSA-N -1 1 317.396 0.320 20 0 DCADMM CCNC(=O)[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001590744194 1166999538 /nfs/dbraw/zinc/99/95/38/1166999538.db2.gz JMVOUZTZZNJQSZ-JTQLQIEISA-N -1 1 304.358 0.538 20 0 DCADMM CCNC(=O)[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001590744194 1166999541 /nfs/dbraw/zinc/99/95/41/1166999541.db2.gz JMVOUZTZZNJQSZ-JTQLQIEISA-N -1 1 304.358 0.538 20 0 DCADMM CCOC(=O)[C@@H](C)C1CN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590752679 1167006376 /nfs/dbraw/zinc/00/63/76/1167006376.db2.gz WUQFLWSFWDCMTK-QMMMGPOBSA-N -1 1 303.326 0.292 20 0 DCADMM CCOC(=O)[C@@H](C)C1CN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590752679 1167006384 /nfs/dbraw/zinc/00/63/84/1167006384.db2.gz WUQFLWSFWDCMTK-QMMMGPOBSA-N -1 1 303.326 0.292 20 0 DCADMM CCOC(=O)[C@](C)(O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590753196 1167006510 /nfs/dbraw/zinc/00/65/10/1167006510.db2.gz ZFPKSVNRPFKOQS-LLVKDONJSA-N -1 1 312.355 0.358 20 0 DCADMM CCOC(=O)[C@@H](F)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590753930 1167006906 /nfs/dbraw/zinc/00/69/06/1167006906.db2.gz OUVCGDAGICXUDO-KCJUWKMLSA-N -1 1 321.316 0.384 20 0 DCADMM CCOC(=O)[C@@H](F)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590753930 1167006911 /nfs/dbraw/zinc/00/69/11/1167006911.db2.gz OUVCGDAGICXUDO-KCJUWKMLSA-N -1 1 321.316 0.384 20 0 DCADMM CCOC(=O)[C@]1(C)CCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590756075 1167009697 /nfs/dbraw/zinc/00/96/97/1167009697.db2.gz SFWBBBOXMXOGTO-LKFCYVNXSA-N -1 1 317.353 0.612 20 0 DCADMM CCOC(=O)CN(CC)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590764658 1167011225 /nfs/dbraw/zinc/01/12/25/1167011225.db2.gz MHSIARYCEAPEGA-UHFFFAOYSA-N -1 1 307.310 0.793 20 0 DCADMM CCOC(=O)CN(CC)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590764658 1167011229 /nfs/dbraw/zinc/01/12/29/1167011229.db2.gz MHSIARYCEAPEGA-UHFFFAOYSA-N -1 1 307.310 0.793 20 0 DCADMM CCOC(=O)c1cncnc1Cn1ccnc1-c1nnn[n-]1 ZINC001590776775 1167015296 /nfs/dbraw/zinc/01/52/96/1167015296.db2.gz VGQPEJSJQISEIK-UHFFFAOYSA-N -1 1 300.282 0.078 20 0 DCADMM CCOC(=O)c1cncnc1Cn1ccnc1-c1nn[n-]n1 ZINC001590776775 1167015303 /nfs/dbraw/zinc/01/53/03/1167015303.db2.gz 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1167022902 /nfs/dbraw/zinc/02/29/02/1167022902.db2.gz SVTVOIPRGSEOOL-MWLCHTKSSA-N -1 1 305.342 0.571 20 0 DCADMM CCO[C@@H]1COCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590797509 1167022907 /nfs/dbraw/zinc/02/29/07/1167022907.db2.gz SVTVOIPRGSEOOL-MWLCHTKSSA-N -1 1 305.342 0.571 20 0 DCADMM CCOC1CN(Cc2cnc3c(-c4nnn[n-]4)cnn3c2)C1 ZINC001590796859 1167023172 /nfs/dbraw/zinc/02/31/72/1167023172.db2.gz REMQIKNOXGDYLP-UHFFFAOYSA-N -1 1 300.326 0.130 20 0 DCADMM CCOC1CN(Cc2cnc3c(-c4nn[n-]n4)cnn3c2)C1 ZINC001590796859 1167023177 /nfs/dbraw/zinc/02/31/77/1167023177.db2.gz REMQIKNOXGDYLP-UHFFFAOYSA-N -1 1 300.326 0.130 20 0 DCADMM CCOCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC001590799590 1167024222 /nfs/dbraw/zinc/02/42/22/1167024222.db2.gz FYDYIWRCUGBFOU-UHFFFAOYSA-N -1 1 323.309 0.595 20 0 DCADMM CCOC[C@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)CCO1 ZINC001590802114 1167025632 /nfs/dbraw/zinc/02/56/32/1167025632.db2.gz ZQHWRKARSKEUFM-SNVBAGLBSA-N -1 1 323.378 0.806 20 0 DCADMM CC[C@@H]1OCC[C@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590861654 1167041499 /nfs/dbraw/zinc/04/14/99/1167041499.db2.gz ORXYNMWQWIILCE-APPZFPTMSA-N -1 1 323.382 0.690 20 0 DCADMM CC[C@@H]1OCC[C@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590861654 1167041504 /nfs/dbraw/zinc/04/15/04/1167041504.db2.gz ORXYNMWQWIILCE-APPZFPTMSA-N -1 1 323.382 0.690 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCN(C)C(=O)OC)n1 ZINC001590903966 1167045296 /nfs/dbraw/zinc/04/52/96/1167045296.db2.gz AUHYMPFZMHPXJT-UHFFFAOYSA-N -1 1 320.357 0.354 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCN(C)C(=O)OC)n1 ZINC001590903966 1167045304 /nfs/dbraw/zinc/04/53/04/1167045304.db2.gz AUHYMPFZMHPXJT-UHFFFAOYSA-N -1 1 320.357 0.354 20 0 DCADMM CCc1nnc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)[nH]1 ZINC001590913959 1167047934 /nfs/dbraw/zinc/04/79/34/1167047934.db2.gz SHPRNNKSJOCQTL-UHFFFAOYSA-N -1 1 322.332 0.910 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCc3n[nH]cc3C2)n1 ZINC001590908009 1167048997 /nfs/dbraw/zinc/04/89/97/1167048997.db2.gz WSBPLBLVQBENCV-UHFFFAOYSA-N -1 1 311.353 0.895 20 0 DCADMM CCc1nc(N[C@@H]2CCC[C@@H]2C(=O)NC)cc(-c2nnn[n-]2)n1 ZINC001590917318 1167050825 /nfs/dbraw/zinc/05/08/25/1167050825.db2.gz NCAMCLFQCAMGKN-DTWKUNHWSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(N[C@@H]2CCC[C@@H]2C(=O)NC)cc(-c2nn[n-]n2)n1 ZINC001590917318 1167050827 /nfs/dbraw/zinc/05/08/27/1167050827.db2.gz NCAMCLFQCAMGKN-DTWKUNHWSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(NCC[C@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590919515 1167050843 /nfs/dbraw/zinc/05/08/43/1167050843.db2.gz KQUQNPOPEGGOIL-ZETCQYMHSA-N -1 1 317.275 0.944 20 0 DCADMM CCc1nc(NCC[C@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590919515 1167050847 /nfs/dbraw/zinc/05/08/47/1167050847.db2.gz KQUQNPOPEGGOIL-ZETCQYMHSA-N -1 1 317.275 0.944 20 0 DCADMM CCc1nc(NCCOC[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001590922655 1167052188 /nfs/dbraw/zinc/05/21/88/1167052188.db2.gz TWXQTJFRICIGBJ-JTQLQIEISA-N -1 1 319.369 0.684 20 0 DCADMM CCc1nc(NCCOC[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001590922655 1167052190 /nfs/dbraw/zinc/05/21/90/1167052190.db2.gz TWXQTJFRICIGBJ-JTQLQIEISA-N -1 1 319.369 0.684 20 0 DCADMM CCc1nc(NCC2([S@](C)=O)CCC2)cc(-c2nnn[n-]2)n1 ZINC001590917874 1167052200 /nfs/dbraw/zinc/05/22/00/1167052200.db2.gz CVQOKSTVOVDCPM-QFIPXVFZSA-N -1 1 321.410 0.932 20 0 DCADMM CCc1nc(NCC2([S@](C)=O)CCC2)cc(-c2nn[n-]n2)n1 ZINC001590917874 1167052203 /nfs/dbraw/zinc/05/22/03/1167052203.db2.gz CVQOKSTVOVDCPM-QFIPXVFZSA-N -1 1 321.410 0.932 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2scnc2C)c1=O ZINC001590949300 1167057735 /nfs/dbraw/zinc/05/77/35/1167057735.db2.gz CFSNGCATCZQBEC-UHFFFAOYSA-N -1 1 319.350 0.023 20 0 DCADMM CCn1cc(CC(=O)OCc2ccc(-c3nnn[n-]3)o2)nn1 ZINC001590954459 1167059125 /nfs/dbraw/zinc/05/91/25/1167059125.db2.gz RXZTUGSRBXRBNW-UHFFFAOYSA-N -1 1 303.282 0.357 20 0 DCADMM CCn1cc(CC(=O)OCc2ccc(-c3nn[n-]n3)o2)nn1 ZINC001590954459 1167059127 /nfs/dbraw/zinc/05/91/27/1167059127.db2.gz RXZTUGSRBXRBNW-UHFFFAOYSA-N -1 1 303.282 0.357 20 0 DCADMM CCn1cnnc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590963230 1167061879 /nfs/dbraw/zinc/06/18/79/1167061879.db2.gz UJARPZNMCVHSJG-UHFFFAOYSA-N -1 1 304.339 0.470 20 0 DCADMM CCn1nc(C)c(COC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001590965872 1167062072 /nfs/dbraw/zinc/06/20/72/1167062072.db2.gz VDYKMRAWSRMZLA-UHFFFAOYSA-N -1 1 314.309 0.539 20 0 DCADMM CCn1nc(C)c(COC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001590965872 1167062074 /nfs/dbraw/zinc/06/20/74/1167062074.db2.gz VDYKMRAWSRMZLA-UHFFFAOYSA-N -1 1 314.309 0.539 20 0 DCADMM CN(C)C(=O)CCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC001591002408 1167072089 /nfs/dbraw/zinc/07/20/89/1167072089.db2.gz VXFHRVDRXKCKOG-UHFFFAOYSA-N -1 1 309.351 0.953 20 0 DCADMM CN(C)C(=O)Cn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001591004288 1167074565 /nfs/dbraw/zinc/07/45/65/1167074565.db2.gz YZGMEGCQXDQQBK-UHFFFAOYSA-N -1 1 316.243 0.135 20 0 DCADMM CN(C)c1nc(COc2ccc(F)nc2-c2nn[n-]n2)ns1 ZINC001591034334 1167086106 /nfs/dbraw/zinc/08/61/06/1167086106.db2.gz OMDKRNBZRIRNJV-UHFFFAOYSA-N -1 1 322.329 0.897 20 0 DCADMM CN(C)c1cncc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001591034240 1167086667 /nfs/dbraw/zinc/08/66/67/1167086667.db2.gz ILRWFPIVSISFGL-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CN(C)c1cncc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001591034240 1167086672 /nfs/dbraw/zinc/08/66/72/1167086672.db2.gz ILRWFPIVSISFGL-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CN(C[C@H]1CCC[C@@H]1O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591054241 1167095507 /nfs/dbraw/zinc/09/55/07/1167095507.db2.gz BMVZWQLPVPUTPW-KOLCDFICSA-N -1 1 317.353 0.886 20 0 DCADMM CN(C[C@H]1CCC[C@@H]1O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591054241 1167095511 /nfs/dbraw/zinc/09/55/11/1167095511.db2.gz BMVZWQLPVPUTPW-KOLCDFICSA-N -1 1 317.353 0.886 20 0 DCADMM CN(C[C@H]1CCOC1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591063484 1167096318 /nfs/dbraw/zinc/09/63/18/1167096318.db2.gz ZNLSTXTYYBSOKE-SECBINFHSA-N -1 1 303.326 0.762 20 0 DCADMM CN(C[C@H]1CCOC1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591063484 1167096326 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COCC[C@@](C)(O)CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591398574 1167266794 /nfs/dbraw/zinc/26/67/94/1167266794.db2.gz XWGLSCOBBDZYFU-GFCCVEGCSA-N -1 1 311.367 0.446 20 0 DCADMM COCC[C@@](C)(O)CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591398574 1167266803 /nfs/dbraw/zinc/26/68/03/1167266803.db2.gz XWGLSCOBBDZYFU-GFCCVEGCSA-N -1 1 311.367 0.446 20 0 DCADMM COCC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591404103 1167271215 /nfs/dbraw/zinc/27/12/15/1167271215.db2.gz WTNHJLHHZUURBL-VIFPVBQESA-N -1 1 323.378 0.806 20 0 DCADMM COCC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591404103 1167271224 /nfs/dbraw/zinc/27/12/24/1167271224.db2.gz WTNHJLHHZUURBL-VIFPVBQESA-N -1 1 323.378 0.806 20 0 DCADMM COCCCOC1CN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001591416142 1167274580 /nfs/dbraw/zinc/27/45/80/1167274580.db2.gz GQXFBTXSABCEOU-UHFFFAOYSA-N -1 1 310.383 0.873 20 0 DCADMM COCCN(Cc1ccccn1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591428002 1167280823 /nfs/dbraw/zinc/28/08/23/1167280823.db2.gz NXVQHISKFJUTEX-UHFFFAOYSA-N -1 1 312.337 0.705 20 0 DCADMM COCCN(Cc1ccccn1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591428002 1167280828 /nfs/dbraw/zinc/28/08/28/1167280828.db2.gz NXVQHISKFJUTEX-UHFFFAOYSA-N -1 1 312.337 0.705 20 0 DCADMM COCCOCC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001591435878 1167286545 /nfs/dbraw/zinc/28/65/45/1167286545.db2.gz DWUWHPRJXUIQDP-UHFFFAOYSA-N -1 1 318.337 0.204 20 0 DCADMM COCCOCC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001591435878 1167286550 /nfs/dbraw/zinc/28/65/50/1167286550.db2.gz DWUWHPRJXUIQDP-UHFFFAOYSA-N -1 1 318.337 0.204 20 0 DCADMM COCc1nc(Cn2ccc(-c3nn[n-]n3)cc2=O)cs1 ZINC001591460399 1167294657 /nfs/dbraw/zinc/29/46/57/1167294657.db2.gz WCZGRYILDMCEMV-UHFFFAOYSA-N -1 1 304.335 0.680 20 0 DCADMM COCc1nocc1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001591462797 1167295863 /nfs/dbraw/zinc/29/58/63/1167295863.db2.gz QNZSRWTUJBUDLM-UHFFFAOYSA-N -1 1 305.250 0.951 20 0 DCADMM COCc1nocc1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001591462797 1167295872 /nfs/dbraw/zinc/29/58/72/1167295872.db2.gz QNZSRWTUJBUDLM-UHFFFAOYSA-N -1 1 305.250 0.951 20 0 DCADMM CONC(=O)C1CCN(c2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC001591467433 1167299825 /nfs/dbraw/zinc/29/98/25/1167299825.db2.gz OLRXKQQJLWHQDZ-UHFFFAOYSA-N -1 1 317.353 0.464 20 0 DCADMM COc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)nn1C ZINC001591546902 1167327159 /nfs/dbraw/zinc/32/71/59/1167327159.db2.gz UKVANVFPCXVAEG-UHFFFAOYSA-N -1 1 305.323 0.923 20 0 DCADMM COc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)nn1C ZINC001591546902 1167327167 /nfs/dbraw/zinc/32/71/67/1167327167.db2.gz UKVANVFPCXVAEG-UHFFFAOYSA-N -1 1 305.323 0.923 20 0 DCADMM COc1ncc(NC(=O)N(CCO)C(C)C)cc1-c1nn[n-]n1 ZINC001591664748 1167343062 /nfs/dbraw/zinc/34/30/62/1167343062.db2.gz NXEBRXBOZKJRGO-UHFFFAOYSA-N -1 1 321.341 0.505 20 0 DCADMM COc1ncc(NC(=O)C2=COCCO2)cc1-c1nn[n-]n1 ZINC001591663553 1167344864 /nfs/dbraw/zinc/34/48/64/1167344864.db2.gz BIZCHTKJSDRDJO-UHFFFAOYSA-N -1 1 304.266 0.097 20 0 DCADMM COc1ncc(NC(=O)c2ncoc2C)cc1-c1nn[n-]n1 ZINC001591667986 1167346638 /nfs/dbraw/zinc/34/66/38/1167346638.db2.gz MHPDEZSVGKBERC-UHFFFAOYSA-N -1 1 301.266 0.819 20 0 DCADMM CS[C@@H]1CC[C@@H](NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591693054 1167355979 /nfs/dbraw/zinc/35/59/79/1167355979.db2.gz ZDVJCUOZDPUVFD-IWSPIJDZSA-N -1 1 322.398 0.420 20 0 DCADMM CSCC[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001591699436 1167357856 /nfs/dbraw/zinc/35/78/56/1167357856.db2.gz IQPCSUDOWVAPFK-LURJTMIESA-N -1 1 311.371 0.220 20 0 DCADMM C[C@@H]1[C@H](O)CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591758081 1167368629 /nfs/dbraw/zinc/36/86/29/1167368629.db2.gz LVMOAFAVAWZTSN-PSASIEDQSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@@H]1[C@H](O)CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591758081 1167368636 /nfs/dbraw/zinc/36/86/36/1167368636.db2.gz LVMOAFAVAWZTSN-PSASIEDQSA-N -1 1 303.326 0.639 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC2(CCC2)C1 ZINC001591835200 1167390445 /nfs/dbraw/zinc/39/04/45/1167390445.db2.gz NPICMBYMSBJXPA-UHFFFAOYSA-N -1 1 300.322 0.902 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](C)CCCCO ZINC001591834877 1167390507 /nfs/dbraw/zinc/39/05/07/1167390507.db2.gz UROURYRZVZYWIK-VIFPVBQESA-N -1 1 320.353 0.557 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N2CCCC[C@H]2C)c1 ZINC001591836327 1167391540 /nfs/dbraw/zinc/39/15/40/1167391540.db2.gz MLHVXTBTIFIVKN-LLVKDONJSA-N -1 1 316.365 0.738 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCc3c(cnn3C)C2)n1 ZINC001591887295 1167410901 /nfs/dbraw/zinc/41/09/01/1167410901.db2.gz AXZSFOCINNLVII-UHFFFAOYSA-N -1 1 311.353 0.651 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCc3c(cnn3C)C2)n1 ZINC001591887295 1167410906 /nfs/dbraw/zinc/41/09/06/1167410906.db2.gz AXZSFOCINNLVII-UHFFFAOYSA-N -1 1 311.353 0.651 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H](O)C(F)(F)F)n1 ZINC001591890717 1167412770 /nfs/dbraw/zinc/41/27/70/1167412770.db2.gz MUQJCMALBKBPKU-VDTYLAMSSA-N -1 1 303.248 0.689 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H](O)C(F)(F)F)n1 ZINC001591890717 1167412774 /nfs/dbraw/zinc/41/27/74/1167412774.db2.gz MUQJCMALBKBPKU-VDTYLAMSSA-N -1 1 303.248 0.689 20 0 DCADMM Cc1cc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c(C)cn1 ZINC001592016003 1167435042 /nfs/dbraw/zinc/43/50/42/1167435042.db2.gz MVQDZIFNNGMKEA-VIFPVBQESA-N -1 1 313.325 0.092 20 0 DCADMM Cc1cc(NCCC2CS(=O)(=O)C2)cc(-c2nnn[n-]2)n1 ZINC001592045603 1167443847 /nfs/dbraw/zinc/44/38/47/1167443847.db2.gz GWVSXZXDHNSGFG-UHFFFAOYSA-N -1 1 308.367 0.417 20 0 DCADMM Cc1cc(NCCC2CS(=O)(=O)C2)cc(-c2nn[n-]n2)n1 ZINC001592045603 1167443850 /nfs/dbraw/zinc/44/38/50/1167443850.db2.gz GWVSXZXDHNSGFG-UHFFFAOYSA-N -1 1 308.367 0.417 20 0 DCADMM Cc1ccc(NC(=O)Cn2cnnc2-c2nn[n-]n2)c(F)c1 ZINC001592181908 1167471071 /nfs/dbraw/zinc/47/10/71/1167471071.db2.gz CJGDXOGVPVOPGN-UHFFFAOYSA-N -1 1 302.273 0.544 20 0 DCADMM Cc1cccc2c1O[C@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)C2 ZINC001592244657 1167478335 /nfs/dbraw/zinc/47/83/35/1167478335.db2.gz FPLRSOCOJWXERA-JTQLQIEISA-N -1 1 311.305 0.840 20 0 DCADMM Cc1ccn(CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)n1 ZINC001592265173 1167480542 /nfs/dbraw/zinc/48/05/42/1167480542.db2.gz CIFHYWIZXFOGPN-UHFFFAOYSA-N -1 1 313.325 0.611 20 0 DCADMM Cc1ccn(Cc2nc(C3CC3)nn2C)c(=O)c1-c1nn[n-]n1 ZINC001592265894 1167480638 /nfs/dbraw/zinc/48/06/38/1167480638.db2.gz OCGIKEFSKBVJCZ-UHFFFAOYSA-N -1 1 312.337 0.391 20 0 DCADMM Cc1ccn(Cc2ncnn2CC(C)C)c(=O)c1-c1nn[n-]n1 ZINC001592265550 1167480646 /nfs/dbraw/zinc/48/06/46/1167480646.db2.gz GAYKAOFNKWEQIK-UHFFFAOYSA-N -1 1 314.353 0.633 20 0 DCADMM Cc1cn2c(n1)CN(C(=O)c1cc(-c3nnn[n-]3)oc1C)CC2 ZINC001592288757 1167484904 /nfs/dbraw/zinc/48/49/04/1167484904.db2.gz OBZPNHVJVOISQP-UHFFFAOYSA-N -1 1 313.321 0.929 20 0 DCADMM Cc1cn2c(n1)CN(C(=O)c1cc(-c3nn[n-]n3)oc1C)CC2 ZINC001592288757 1167484908 /nfs/dbraw/zinc/48/49/08/1167484908.db2.gz OBZPNHVJVOISQP-UHFFFAOYSA-N -1 1 313.321 0.929 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2CC23CCOCC3)c1-c1nn[n-]n1 ZINC001592328009 1167488509 /nfs/dbraw/zinc/48/85/09/1167488509.db2.gz OPNSZVZTGXVLBY-QMMMGPOBSA-N -1 1 303.326 0.653 20 0 DCADMM Cc1nc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)c(C)o1 ZINC001592351375 1167501483 /nfs/dbraw/zinc/50/14/83/1167501483.db2.gz ZDLMMINRASIOKK-UHFFFAOYSA-N -1 1 302.298 0.766 20 0 DCADMM Cc1nc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)c(C)o1 ZINC001592351375 1167501486 /nfs/dbraw/zinc/50/14/86/1167501486.db2.gz ZDLMMINRASIOKK-UHFFFAOYSA-N -1 1 302.298 0.766 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cnnn2C)n1 ZINC001592353475 1167502798 /nfs/dbraw/zinc/50/27/98/1167502798.db2.gz MARAYJIIECYEBD-UHFFFAOYSA-N -1 1 303.355 0.694 20 0 DCADMM Cc1nc(N[C@H](CO)C[C@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001592379696 1167508940 /nfs/dbraw/zinc/50/89/40/1167508940.db2.gz JTRBYOBZOOJBGF-VHSXEESVSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1nc(N[C@H](CO)C[C@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001592379696 1167508942 /nfs/dbraw/zinc/50/89/42/1167508942.db2.gz JTRBYOBZOOJBGF-VHSXEESVSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1nc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cs1 ZINC001592377127 1167509732 /nfs/dbraw/zinc/50/97/32/1167509732.db2.gz KXYYWYZWTKVMNU-YFKPBYRVSA-N -1 1 305.327 0.423 20 0 DCADMM Cc1nc(NCCCc2cnn(C)n2)cc(-c2nnn[n-]2)n1 ZINC001592390352 1167512687 /nfs/dbraw/zinc/51/26/87/1167512687.db2.gz LSZKICHSOQXRSR-UHFFFAOYSA-N -1 1 300.330 0.138 20 0 DCADMM Cc1nc(NCCCc2cnn(C)n2)cc(-c2nn[n-]n2)n1 ZINC001592390352 1167512692 /nfs/dbraw/zinc/51/26/92/1167512692.db2.gz LSZKICHSOQXRSR-UHFFFAOYSA-N -1 1 300.330 0.138 20 0 DCADMM Cc1nc2ccc(Cn3cnc(-c4nnn[n-]4)cc3=O)cc2[nH]1 ZINC001592402230 1167514005 /nfs/dbraw/zinc/51/40/05/1167514005.db2.gz OFCWJEYJKAUHGP-UHFFFAOYSA-N -1 1 308.305 0.656 20 0 DCADMM Cc1nc2cc(Cn3cnc(-c4nn[n-]n4)cc3=O)ccc2[nH]1 ZINC001592402230 1167514011 /nfs/dbraw/zinc/51/40/11/1167514011.db2.gz OFCWJEYJKAUHGP-UHFFFAOYSA-N -1 1 308.305 0.656 20 0 DCADMM Cc1nc2ccc(Cn3cnc(-c4nn[n-]n4)cc3=O)cc2[nH]1 ZINC001592402230 1167514015 /nfs/dbraw/zinc/51/40/15/1167514015.db2.gz OFCWJEYJKAUHGP-UHFFFAOYSA-N -1 1 308.305 0.656 20 0 DCADMM Cc1ncc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)o1 ZINC001592410450 1167515382 /nfs/dbraw/zinc/51/53/82/1167515382.db2.gz RGQZZYKKBIUMOT-ZCFIWIBFSA-N -1 1 304.270 0.059 20 0 DCADMM Cc1nsc(N2CCC[C@H](CNC(N)=O)C2)c1-c1nn[n-]n1 ZINC001592475128 1167534824 /nfs/dbraw/zinc/53/48/24/1167534824.db2.gz SVKHCRHCLOAPCN-MRVPVSSYSA-N -1 1 322.398 0.516 20 0 DCADMM Cc1nsc(NC(=O)NCc2ncc[nH]2)c1-c1nnn[n-]1 ZINC001592483979 1167538688 /nfs/dbraw/zinc/53/86/88/1167538688.db2.gz UCWRHRHLTRNZDU-UHFFFAOYSA-N -1 1 305.327 0.676 20 0 DCADMM Cc1nsc(NC(=O)NCc2ncc[nH]2)c1-c1nn[n-]n1 ZINC001592483979 1167538691 /nfs/dbraw/zinc/53/86/91/1167538691.db2.gz UCWRHRHLTRNZDU-UHFFFAOYSA-N -1 1 305.327 0.676 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2C[C@@H](CO)C2)c1-c1nnn[n-]1 ZINC001592483283 1167538744 /nfs/dbraw/zinc/53/87/44/1167538744.db2.gz HGQZGWQZCWHMOR-KNVOCYPGSA-N -1 1 309.355 0.524 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2C[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC001592483283 1167538749 /nfs/dbraw/zinc/53/87/49/1167538749.db2.gz HGQZGWQZCWHMOR-KNVOCYPGSA-N -1 1 309.355 0.524 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nn2cnnc2s1 ZINC001592500531 1167541860 /nfs/dbraw/zinc/54/18/60/1167541860.db2.gz DJVGIMXSRKMFCH-UHFFFAOYSA-N -1 1 317.294 0.520 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nn2cnnc2s1 ZINC001592500531 1167541866 /nfs/dbraw/zinc/54/18/66/1167541866.db2.gz DJVGIMXSRKMFCH-UHFFFAOYSA-N -1 1 317.294 0.520 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2CCC[C@H](F)C2)c(-c2nn[n-]n2)c1=O ZINC001592545633 1167549516 /nfs/dbraw/zinc/54/95/16/1167549516.db2.gz HLSNXTJIMMTOPV-NKWVEPMBSA-N -1 1 309.305 0.359 20 0 DCADMM Cn1c(=O)[nH]c(NCCOC2CCCC2)c(-c2nn[n-]n2)c1=O ZINC001592546995 1167552995 /nfs/dbraw/zinc/55/29/95/1167552995.db2.gz ZUFRFXIPLCUJDX-UHFFFAOYSA-N -1 1 321.341 0.037 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@]2(C)C[C@H]3C[C@H]3C2)c(-c2nn[n-]n2)c1=O ZINC001592546739 1167553391 /nfs/dbraw/zinc/55/33/91/1167553391.db2.gz RZXOQVJOBHBKHC-IFCRSTKPSA-N -1 1 317.353 0.514 20 0 DCADMM Cn1c(Cl)cnc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592553513 1167557883 /nfs/dbraw/zinc/55/78/83/1167557883.db2.gz FXLGTQSCEXEFCS-UHFFFAOYSA-N -1 1 307.701 0.777 20 0 DCADMM Cn1c(Cl)cnc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592553513 1167557886 /nfs/dbraw/zinc/55/78/86/1167557886.db2.gz FXLGTQSCEXEFCS-UHFFFAOYSA-N -1 1 307.701 0.777 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CC[C@H]3C[C@H]3C2)c1=O ZINC001592558261 1167559317 /nfs/dbraw/zinc/55/93/17/1167559317.db2.gz XOYJHKIWPGZAHK-KXUCPTDWSA-N -1 1 302.338 0.163 20 0 DCADMM Cn1cc(Cn2cnc(-c3nn[n-]n3)n2)c(Br)n1 ZINC001592576122 1167566331 /nfs/dbraw/zinc/56/63/31/1167566331.db2.gz OHKMTXPOXWMDFG-UHFFFAOYSA-N -1 1 310.119 0.003 20 0 DCADMM Cn1ccnc1Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001592585450 1167571444 /nfs/dbraw/zinc/57/14/44/1167571444.db2.gz LJSBUNXDWWAZDY-UHFFFAOYSA-N -1 1 307.317 0.963 20 0 DCADMM Cn1[nH]c([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)nc1=N ZINC001592596673 1167576823 /nfs/dbraw/zinc/57/68/23/1167576823.db2.gz YIIZROWPNJEQBM-VIFPVBQESA-N -1 1 312.341 0.144 20 0 DCADMM Cn1[nH]c([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)nc1=N ZINC001592596673 1167576831 /nfs/dbraw/zinc/57/68/31/1167576831.db2.gz YIIZROWPNJEQBM-VIFPVBQESA-N -1 1 312.341 0.144 20 0 DCADMM Cn1nccc1[C@@H](O)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592604047 1167582509 /nfs/dbraw/zinc/58/25/09/1167582509.db2.gz HVVFFAYAXJZMJN-VIFPVBQESA-N -1 1 319.350 0.125 20 0 DCADMM FC(F)c1noc(CNCc2cccc(-c3nnn[n-]3)n2)n1 ZINC001592627386 1167586604 /nfs/dbraw/zinc/58/66/04/1167586604.db2.gz BJAFDKDOEIBUNJ-UHFFFAOYSA-N -1 1 308.252 0.872 20 0 DCADMM FC(F)c1noc(CNCc2cccc(-c3nn[n-]n3)n2)n1 ZINC001592627386 1167586609 /nfs/dbraw/zinc/58/66/09/1167586609.db2.gz BJAFDKDOEIBUNJ-UHFFFAOYSA-N -1 1 308.252 0.872 20 0 DCADMM NC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001592719633 1167611628 /nfs/dbraw/zinc/61/16/28/1167611628.db2.gz GEMWGPCLKVXBDA-SSDOTTSWSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001592717168 1167611667 /nfs/dbraw/zinc/61/16/67/1167611667.db2.gz RFUDTCBBWIFRTO-LLVKDONJSA-N -1 1 313.273 0.843 20 0 DCADMM NC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC001592733359 1167620797 /nfs/dbraw/zinc/62/07/97/1167620797.db2.gz RCOWOLLULDCESP-APPZFPTMSA-N -1 1 316.321 0.412 20 0 DCADMM NC(=O)c1ccc(C(=O)OCc2cccnc2-c2nnn[n-]2)o1 ZINC001592736397 1167622577 /nfs/dbraw/zinc/62/25/77/1167622577.db2.gz ZAPNYCLRXRMZSR-UHFFFAOYSA-N -1 1 314.261 0.311 20 0 DCADMM NC(=O)c1ccc(C(=O)OCc2cccnc2-c2nn[n-]n2)o1 ZINC001592736397 1167622583 /nfs/dbraw/zinc/62/25/83/1167622583.db2.gz ZAPNYCLRXRMZSR-UHFFFAOYSA-N -1 1 314.261 0.311 20 0 DCADMM NC(CN1CCOCC1)=NOCc1ccc(-c2nn[n-]n2)s1 ZINC001592739147 1167623082 /nfs/dbraw/zinc/62/30/82/1167623082.db2.gz JIYGWDDXDUYPSY-UHFFFAOYSA-N -1 1 323.382 0.259 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1scc2c1OCCO2 ZINC001592753187 1167631200 /nfs/dbraw/zinc/63/12/00/1167631200.db2.gz RCTBTLVYNKYJIC-UHFFFAOYSA-N -1 1 319.306 0.167 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC001592754970 1167633862 /nfs/dbraw/zinc/63/38/62/1167633862.db2.gz YSMWHQFGQICRSL-NSHDSACASA-N -1 1 324.304 0.803 20 0 DCADMM Nc1n[nH]c(C2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)n1 ZINC001592763627 1167638712 /nfs/dbraw/zinc/63/87/12/1167638712.db2.gz DRTRVAMJVGXTHN-UHFFFAOYSA-N -1 1 312.341 0.346 20 0 DCADMM Nc1n[nH]c(C2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)n1 ZINC001592763627 1167638718 /nfs/dbraw/zinc/63/87/18/1167638718.db2.gz DRTRVAMJVGXTHN-UHFFFAOYSA-N -1 1 312.341 0.346 20 0 DCADMM O=C(CC1CCCC1)NCCNc1nccnc1-c1nnn[n-]1 ZINC001592820747 1167645580 /nfs/dbraw/zinc/64/55/80/1167645580.db2.gz DOORPKRJDLDYAW-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CC1CCCC1)NCCNc1nccnc1-c1nn[n-]n1 ZINC001592820747 1167645584 /nfs/dbraw/zinc/64/55/84/1167645584.db2.gz DOORPKRJDLDYAW-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CCCF)NCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592836521 1167647614 /nfs/dbraw/zinc/64/76/14/1167647614.db2.gz OPPQNGKPWPYCRC-UHFFFAOYSA-N -1 1 308.321 0.325 20 0 DCADMM O=C(CCCF)NCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592836521 1167647619 /nfs/dbraw/zinc/64/76/19/1167647619.db2.gz OPPQNGKPWPYCRC-UHFFFAOYSA-N -1 1 308.321 0.325 20 0 DCADMM O=C(CCc1ncccn1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592856313 1167650936 /nfs/dbraw/zinc/65/09/36/1167650936.db2.gz WLOWIUORBYFWIH-UHFFFAOYSA-N -1 1 311.305 0.934 20 0 DCADMM O=C(COc1ccc(F)nc1-c1nn[n-]n1)NCC(F)(F)F ZINC001592893486 1167659286 /nfs/dbraw/zinc/65/92/86/1167659286.db2.gz LWTFZHBJZZXDFX-UHFFFAOYSA-N -1 1 320.206 0.458 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC[C@H]1CC1(F)F ZINC001592913773 1167662975 /nfs/dbraw/zinc/66/29/75/1167662975.db2.gz GWECJNCDKMGTRF-VIFPVBQESA-N -1 1 308.292 0.966 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC[C@H]1CC1(F)F ZINC001592913773 1167662977 /nfs/dbraw/zinc/66/29/77/1167662977.db2.gz GWECJNCDKMGTRF-VIFPVBQESA-N -1 1 308.292 0.966 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ncccc1CO ZINC001592916040 1167665336 /nfs/dbraw/zinc/66/53/36/1167665336.db2.gz XVPCXLIVHNZWLX-UHFFFAOYSA-N -1 1 311.305 0.330 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ncccc1CO ZINC001592916040 1167665339 /nfs/dbraw/zinc/66/53/39/1167665339.db2.gz XVPCXLIVHNZWLX-UHFFFAOYSA-N -1 1 311.305 0.330 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)Nc1ccc(F)c(F)c1 ZINC001592936532 1167667202 /nfs/dbraw/zinc/66/72/02/1167667202.db2.gz OOEUSMPTURKDPD-UHFFFAOYSA-N -1 1 306.236 0.375 20 0 DCADMM O=C(N[C@@H](CO)C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC001592953218 1167672171 /nfs/dbraw/zinc/67/21/71/1167672171.db2.gz CGLYPOJZNPXXGR-RKDXNWHRSA-N -1 1 323.378 0.588 20 0 DCADMM O=C(N[C@@H](CO)C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC001592953218 1167672179 /nfs/dbraw/zinc/67/21/79/1167672179.db2.gz CGLYPOJZNPXXGR-RKDXNWHRSA-N -1 1 323.378 0.588 20 0 DCADMM O=C(N[C@H]1CC12CCOCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001592969113 1167676096 /nfs/dbraw/zinc/67/60/96/1167676096.db2.gz SRFHBPOUWJHFIM-NSHDSACASA-N -1 1 300.322 0.561 20 0 DCADMM O=C(N[C@H]1CC12CCOCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001592969113 1167676102 /nfs/dbraw/zinc/67/61/02/1167676102.db2.gz SRFHBPOUWJHFIM-NSHDSACASA-N -1 1 300.322 0.561 20 0 DCADMM O=C(N[C@@H]1CCC[C@@H]1CCO)c1ccnc(-c2nnn[n-]2)c1 ZINC001592976176 1167679527 /nfs/dbraw/zinc/67/95/27/1167679527.db2.gz BFVIKLXOXBQPDS-MWLCHTKSSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1CCC[C@@H]1CCO)c1ccnc(-c2nn[n-]n2)c1 ZINC001592976176 1167679531 /nfs/dbraw/zinc/67/95/31/1167679531.db2.gz BFVIKLXOXBQPDS-MWLCHTKSSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593030715 1167690186 /nfs/dbraw/zinc/69/01/86/1167690186.db2.gz PNYUEEUNSYMSKO-CDMKHQONSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593030715 1167690192 /nfs/dbraw/zinc/69/01/92/1167690192.db2.gz PNYUEEUNSYMSKO-CDMKHQONSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NCC[C@H](O)C(F)F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593057611 1167694383 /nfs/dbraw/zinc/69/43/83/1167694383.db2.gz WXWCTKXFYQOKJE-ZETCQYMHSA-N -1 1 313.268 0.399 20 0 DCADMM O=C(NCC[C@H](O)C(F)F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593057611 1167694387 /nfs/dbraw/zinc/69/43/87/1167694387.db2.gz WXWCTKXFYQOKJE-ZETCQYMHSA-N -1 1 313.268 0.399 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)[C@H]1CC[C@@H](F)C1 ZINC001593095618 1167705657 /nfs/dbraw/zinc/70/56/57/1167705657.db2.gz IRQBRMQSAODPPX-DTWKUNHWSA-N -1 1 320.332 0.323 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)[C@H]1CC[C@@H](F)C1 ZINC001593095618 1167705665 /nfs/dbraw/zinc/70/56/65/1167705665.db2.gz IRQBRMQSAODPPX-DTWKUNHWSA-N -1 1 320.332 0.323 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cccc[n+]1[O-] ZINC001593136740 1167720629 /nfs/dbraw/zinc/72/06/29/1167720629.db2.gz GYHHFROFUJOAHW-UHFFFAOYSA-N -1 1 302.319 0.492 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC1CCOCC1 ZINC001593137613 1167721074 /nfs/dbraw/zinc/72/10/74/1167721074.db2.gz KXJWQXRPWFTMAW-UHFFFAOYSA-N -1 1 308.367 0.906 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc2cccn2cn1 ZINC001593146602 1167723252 /nfs/dbraw/zinc/72/32/52/1167723252.db2.gz WBGGCNASNYVFDX-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc2cccn2cn1 ZINC001593146602 1167723260 /nfs/dbraw/zinc/72/32/60/1167723260.db2.gz WBGGCNASNYVFDX-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC2(C1)OCCO2 ZINC001593244133 1167743976 /nfs/dbraw/zinc/74/39/76/1167743976.db2.gz MHQQFOXIRGOOTM-UHFFFAOYSA-N -1 1 317.309 0.242 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC2(C1)OCCO2 ZINC001593244133 1167743984 /nfs/dbraw/zinc/74/39/84/1167743984.db2.gz MHQQFOXIRGOOTM-UHFFFAOYSA-N -1 1 317.309 0.242 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC2(COC2)C1 ZINC001593244559 1167744907 /nfs/dbraw/zinc/74/49/07/1167744907.db2.gz SRHDBHHNHATIPT-UHFFFAOYSA-N -1 1 301.310 0.516 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC2(COC2)C1 ZINC001593244559 1167744915 /nfs/dbraw/zinc/74/49/15/1167744915.db2.gz SRHDBHHNHATIPT-UHFFFAOYSA-N -1 1 301.310 0.516 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1C[C@@H]2COC[C@@H]2C1 ZINC001593255354 1167746644 /nfs/dbraw/zinc/74/66/44/1167746644.db2.gz FDPUTHUTPVYPCP-DTORHVGOSA-N -1 1 301.310 0.372 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1C[C@@H]2COC[C@@H]2C1 ZINC001593255354 1167746652 /nfs/dbraw/zinc/74/66/52/1167746652.db2.gz FDPUTHUTPVYPCP-DTORHVGOSA-N -1 1 301.310 0.372 20 0 DCADMM O=C(Nc1nnc2n1CCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593269270 1167748732 /nfs/dbraw/zinc/74/87/32/1167748732.db2.gz DONXKEBHUOTYCF-UHFFFAOYSA-N -1 1 311.309 0.442 20 0 DCADMM O=C(Nc1nnc2n1CCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593269270 1167748737 /nfs/dbraw/zinc/74/87/37/1167748737.db2.gz DONXKEBHUOTYCF-UHFFFAOYSA-N -1 1 311.309 0.442 20 0 DCADMM O=C(Nc1nn2cnnc2s1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593269812 1167750016 /nfs/dbraw/zinc/75/00/16/1167750016.db2.gz NSYMTHGOKHRESD-UHFFFAOYSA-N -1 1 314.294 0.013 20 0 DCADMM O=C(Nc1nn2cnnc2s1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593269812 1167750024 /nfs/dbraw/zinc/75/00/24/1167750024.db2.gz NSYMTHGOKHRESD-UHFFFAOYSA-N -1 1 314.294 0.013 20 0 DCADMM O=C(OC[C@@H]1C[C@]12CCOC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593284330 1167757373 /nfs/dbraw/zinc/75/73/73/1167757373.db2.gz IKSWGHBARWXOOI-HZMBPMFUSA-N -1 1 301.306 0.845 20 0 DCADMM O=C(OC[C@@H]1C[C@]12CCOC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593284330 1167757381 /nfs/dbraw/zinc/75/73/81/1167757381.db2.gz IKSWGHBARWXOOI-HZMBPMFUSA-N -1 1 301.306 0.845 20 0 DCADMM O=C(OCc1ncnn1CCF)c1ccc(-c2nnn[n-]2)s1 ZINC001593306675 1167766544 /nfs/dbraw/zinc/76/65/44/1167766544.db2.gz XPNHXQJNUBECEU-UHFFFAOYSA-N -1 1 323.313 0.846 20 0 DCADMM O=C(OCc1ncnn1CCF)c1ccc(-c2nn[n-]n2)s1 ZINC001593306675 1167766554 /nfs/dbraw/zinc/76/65/54/1167766554.db2.gz XPNHXQJNUBECEU-UHFFFAOYSA-N -1 1 323.313 0.846 20 0 DCADMM O=C(OCc1nc(C2CC2)no1)c1cccc(-c2nnn[n-]2)n1 ZINC001593306991 1167766970 /nfs/dbraw/zinc/76/69/70/1167766970.db2.gz IXBWXNIVKLFUAF-UHFFFAOYSA-N -1 1 313.277 0.879 20 0 DCADMM O=C(OCc1nc(C2CC2)no1)c1cccc(-c2nn[n-]n2)n1 ZINC001593306991 1167766979 /nfs/dbraw/zinc/76/69/79/1167766979.db2.gz IXBWXNIVKLFUAF-UHFFFAOYSA-N -1 1 313.277 0.879 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@](O)(C(F)(F)F)C1 ZINC001593340240 1167782375 /nfs/dbraw/zinc/78/23/75/1167782375.db2.gz HOXWXGRYFNWYFI-SNVBAGLBSA-N -1 1 317.227 0.599 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@](O)(C(F)(F)F)C1 ZINC001593340240 1167782384 /nfs/dbraw/zinc/78/23/84/1167782384.db2.gz HOXWXGRYFNWYFI-SNVBAGLBSA-N -1 1 317.227 0.599 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC(Oc2ccncc2)C1 ZINC001593359062 1167783978 /nfs/dbraw/zinc/78/39/78/1167783978.db2.gz VIVWCISERQHVBI-UHFFFAOYSA-N -1 1 323.316 0.560 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](c2ncon2)C1 ZINC001593348687 1167784573 /nfs/dbraw/zinc/78/45/73/1167784573.db2.gz LMJTUBLDTIBCMI-MRVPVSSYSA-N -1 1 312.293 0.274 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](c2ncon2)C1 ZINC001593348687 1167784578 /nfs/dbraw/zinc/78/45/78/1167784578.db2.gz LMJTUBLDTIBCMI-MRVPVSSYSA-N -1 1 312.293 0.274 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOC[C@H]1CCO ZINC001593371967 1167791930 /nfs/dbraw/zinc/79/19/30/1167791930.db2.gz XUTJZEYRMANUER-SECBINFHSA-N -1 1 309.351 0.152 20 0 DCADMM O=C(O[C@@H]1CCC(=O)NC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593390356 1167804082 /nfs/dbraw/zinc/80/40/82/1167804082.db2.gz LRRWCMFRJDYQTH-SSDOTTSWSA-N -1 1 305.269 0.441 20 0 DCADMM O=C(O[C@@H]1CCC(=O)NC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593390356 1167804092 /nfs/dbraw/zinc/80/40/92/1167804092.db2.gz LRRWCMFRJDYQTH-SSDOTTSWSA-N -1 1 305.269 0.441 20 0 DCADMM O=C(C[C@@H]1CCCC(=O)N1)OCc1cccnc1-c1nnn[n-]1 ZINC001593393528 1167805416 /nfs/dbraw/zinc/80/54/16/1167805416.db2.gz KEIXKQUYTHDLAR-JTQLQIEISA-N -1 1 316.321 0.364 20 0 DCADMM O=C(C[C@@H]1CCCC(=O)N1)OCc1cccnc1-c1nn[n-]n1 ZINC001593393528 1167805427 /nfs/dbraw/zinc/80/54/27/1167805427.db2.gz KEIXKQUYTHDLAR-JTQLQIEISA-N -1 1 316.321 0.364 20 0 DCADMM O=C1CCCN1C1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001593393215 1167806176 /nfs/dbraw/zinc/80/61/76/1167806176.db2.gz VEEGPNIKULLQOB-UHFFFAOYSA-N -1 1 313.365 0.853 20 0 DCADMM O=C1CCCN1C1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001593393215 1167806188 /nfs/dbraw/zinc/80/61/88/1167806188.db2.gz VEEGPNIKULLQOB-UHFFFAOYSA-N -1 1 313.365 0.853 20 0 DCADMM O=C1CN(c2cncc(-c3nnn[n-]3)n2)Cc2ccccc2N1 ZINC001593399149 1167810736 /nfs/dbraw/zinc/81/07/36/1167810736.db2.gz DUJOBPFGJKGRDG-UHFFFAOYSA-N -1 1 308.305 0.615 20 0 DCADMM O=C1CN(c2cncc(-c3nn[n-]n3)n2)Cc2ccccc2N1 ZINC001593399149 1167810746 /nfs/dbraw/zinc/81/07/46/1167810746.db2.gz DUJOBPFGJKGRDG-UHFFFAOYSA-N -1 1 308.305 0.615 20 0 DCADMM O=C1N[C@@]2(CCOC2)C(=O)N1Cc1ccc(-c2nn[n-]n2)s1 ZINC001593412782 1167819506 /nfs/dbraw/zinc/81/95/06/1167819506.db2.gz CZXVKGYQFBYWCI-GFCCVEGCSA-N -1 1 320.334 0.139 20 0 DCADMM O=C1OCCN1[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001593414754 1167827164 /nfs/dbraw/zinc/82/71/64/1167827164.db2.gz MNPBGSZJQVDIFU-SECBINFHSA-N -1 1 301.310 0.293 20 0 DCADMM O=C1OCCN1[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001593414754 1167827177 /nfs/dbraw/zinc/82/71/77/1167827177.db2.gz MNPBGSZJQVDIFU-SECBINFHSA-N -1 1 301.310 0.293 20 0 DCADMM O=S(=O)(NCc1ccc(-c2nn[n-]n2)s1)N1CCCC1 ZINC001593443862 1167846815 /nfs/dbraw/zinc/84/68/15/1167846815.db2.gz CLTDJQRLXGKCNQ-UHFFFAOYSA-N -1 1 314.396 0.358 20 0 DCADMM O=c1c(-c2nn[n-]n2)cc2c(n1CC1CCOCC1)CCC2 ZINC001593491086 1167875797 /nfs/dbraw/zinc/87/57/97/1167875797.db2.gz VZAHVIVTHLRUOU-UHFFFAOYSA-N -1 1 301.350 0.944 20 0 DCADMM O=c1c(-c2nnn[n-]2)cccn1CN1CC[C@]2(C1)CCCOC2 ZINC001593492110 1167876795 /nfs/dbraw/zinc/87/67/95/1167876795.db2.gz BYKWOXXDARJVKA-HNNXBMFYSA-N -1 1 316.365 0.488 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cnn(-c2ccccc2)c1 ZINC001593495583 1167880502 /nfs/dbraw/zinc/88/05/02/1167880502.db2.gz JZJCXUDYMYKDHA-UHFFFAOYSA-N -1 1 320.316 0.657 20 0 DCADMM O[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001593506881 1167885945 /nfs/dbraw/zinc/88/59/45/1167885945.db2.gz NXCWCGRQUIKGOD-DTWKUNHWSA-N -1 1 310.745 0.867 20 0 DCADMM O[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001593506881 1167885949 /nfs/dbraw/zinc/88/59/49/1167885949.db2.gz NXCWCGRQUIKGOD-DTWKUNHWSA-N -1 1 310.745 0.867 20 0 DCADMM OC1(C2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CCOCC1 ZINC001593510288 1167889613 /nfs/dbraw/zinc/88/96/13/1167889613.db2.gz HGIKVKIDOZLOGW-UHFFFAOYSA-N -1 1 317.353 0.390 20 0 DCADMM OC1(C2(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CCOCC1 ZINC001593510288 1167889620 /nfs/dbraw/zinc/88/96/20/1167889620.db2.gz HGIKVKIDOZLOGW-UHFFFAOYSA-N -1 1 317.353 0.390 20 0 DCADMM OC1(C2CCC2)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001593511130 1167890365 /nfs/dbraw/zinc/89/03/65/1167890365.db2.gz SWDPMCWVUASMML-UHFFFAOYSA-N -1 1 301.354 0.788 20 0 DCADMM OC1(C2CCC2)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001593511130 1167890370 /nfs/dbraw/zinc/89/03/70/1167890370.db2.gz SWDPMCWVUASMML-UHFFFAOYSA-N -1 1 301.354 0.788 20 0 DCADMM O[C@@]1(C(F)F)CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001593510129 1167890424 /nfs/dbraw/zinc/89/04/24/1167890424.db2.gz WVKYDRZFCUHZSI-ZDUSSCGKSA-N -1 1 323.307 0.740 20 0 DCADMM O[C@@]1(C(F)F)CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001593510129 1167890432 /nfs/dbraw/zinc/89/04/32/1167890432.db2.gz WVKYDRZFCUHZSI-ZDUSSCGKSA-N -1 1 323.307 0.740 20 0 DCADMM O[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCc2ccccc21 ZINC001593517283 1167890913 /nfs/dbraw/zinc/89/09/13/1167890913.db2.gz ZLLSWAOCNAKFQP-OAHLLOKOSA-N -1 1 309.333 0.903 20 0 DCADMM O[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCc2ccccc21 ZINC001593517283 1167890919 /nfs/dbraw/zinc/89/09/19/1167890919.db2.gz ZLLSWAOCNAKFQP-OAHLLOKOSA-N -1 1 309.333 0.903 20 0 DCADMM O[C@@H](Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)c(F)c1 ZINC001593512823 1167892726 /nfs/dbraw/zinc/89/27/26/1167892726.db2.gz YPZZZWSIHXMJBY-VIFPVBQESA-N -1 1 309.692 0.984 20 0 DCADMM O[C@@H]1CCC[C@@H]1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001593519824 1167895208 /nfs/dbraw/zinc/89/52/08/1167895208.db2.gz RBOREGJUEQNZRM-YUSALJHKSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCC[C@@H]1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001593519824 1167895211 /nfs/dbraw/zinc/89/52/11/1167895211.db2.gz RBOREGJUEQNZRM-YUSALJHKSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1COCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001593523395 1167900879 /nfs/dbraw/zinc/90/08/79/1167900879.db2.gz WFDPQJNSIWBQQB-YFKPBYRVSA-N -1 1 302.747 0.174 20 0 DCADMM OCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC2(CCC2)C1 ZINC001593524139 1167901109 /nfs/dbraw/zinc/90/11/09/1167901109.db2.gz VLLGLNBJGRDYAU-UHFFFAOYSA-N -1 1 301.354 0.433 20 0 DCADMM c1cnc2nc(NCc3ccnc(-c4nnn[n-]4)c3)ccc2n1 ZINC001593554020 1167929469 /nfs/dbraw/zinc/92/94/69/1167929469.db2.gz LIOILHYTLFZURU-UHFFFAOYSA-N -1 1 305.305 0.586 20 0 DCADMM c1cnc2nc(NCc3ccnc(-c4nn[n-]n4)c3)ccc2n1 ZINC001593554020 1167929485 /nfs/dbraw/zinc/92/94/85/1167929485.db2.gz LIOILHYTLFZURU-UHFFFAOYSA-N -1 1 305.305 0.586 20 0 DCADMM c1cc(N2CCO[C@@H]([C@H]3CCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001593558488 1167937041 /nfs/dbraw/zinc/93/70/41/1167937041.db2.gz HAOFPBFNDZFLGH-CHWSQXEVSA-N -1 1 302.338 0.646 20 0 DCADMM c1cc(N2CCO[C@@H]([C@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001593558488 1167937063 /nfs/dbraw/zinc/93/70/63/1167937063.db2.gz HAOFPBFNDZFLGH-CHWSQXEVSA-N -1 1 302.338 0.646 20 0 DCADMM c1ncn(CC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001593557628 1167938249 /nfs/dbraw/zinc/93/82/49/1167938249.db2.gz PNFDAPXRBDQBDW-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM c1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593558089 1167938694 /nfs/dbraw/zinc/93/86/94/1167938694.db2.gz IKKMPJHVSFGVHS-RISCZKNCSA-N -1 1 302.338 0.434 20 0 DCADMM c1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593558089 1167938708 /nfs/dbraw/zinc/93/87/08/1167938708.db2.gz IKKMPJHVSFGVHS-RISCZKNCSA-N -1 1 302.338 0.434 20 0 DCADMM c1cn(-c2cccc(Nc3cc(-c4nnn[n-]4)ncn3)c2)nn1 ZINC001593561488 1167939953 /nfs/dbraw/zinc/93/99/53/1167939953.db2.gz SUAFHGDCAAIKRS-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1cn(-c2cccc(Nc3cc(-c4nn[n-]n4)ncn3)c2)nn1 ZINC001593561488 1167939966 /nfs/dbraw/zinc/93/99/66/1167939966.db2.gz SUAFHGDCAAIKRS-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM COC[C@@H](NC(=O)c1nc(C)n2ccccc12)c1nn[n-]n1 ZINC001595888920 1167981779 /nfs/dbraw/zinc/98/17/79/1167981779.db2.gz JVYKEVAFJVTSEW-SECBINFHSA-N -1 1 301.310 0.273 20 0 DCADMM Cc1c(NC(=O)C(=O)N2CCN[C@H](C)C2)ccc(F)c1C(=O)[O-] ZINC001600024693 1168102353 /nfs/dbraw/zinc/10/23/53/1168102353.db2.gz KBZQPLLUBAIDGO-MRVPVSSYSA-N -1 1 323.324 0.591 20 0 DCADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(=O)N1CCN[C@@H](C)C1 ZINC001600156004 1168128374 /nfs/dbraw/zinc/12/83/74/1168128374.db2.gz WHEBAHMQJAEKLK-NSHDSACASA-N -1 1 319.361 0.760 20 0 DCADMM Cc1cc(C[C@@H](C)NC(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)n[nH]1 ZINC001600189146 1168133351 /nfs/dbraw/zinc/13/33/51/1168133351.db2.gz LCDKQXAFDYZGRV-PWSUYJOCSA-N -1 1 323.397 0.307 20 0 DCADMM Cc1cc(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)nc(C)n1 ZINC001600193579 1168135827 /nfs/dbraw/zinc/13/58/27/1168135827.db2.gz SLNDNBUDFJMCFW-GFCCVEGCSA-N -1 1 302.338 0.830 20 0 DCADMM Cc1cccc(C[C@@H](CNC(=O)Cc2nnc[nH]2)C(=O)[O-])c1 ZINC001600526430 1168195147 /nfs/dbraw/zinc/19/51/47/1168195147.db2.gz DJDZXZCQJGXCCF-LBPRGKRZSA-N -1 1 302.334 0.715 20 0 DCADMM Cc1cccc(OCCNC(=O)CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001600546104 1168197503 /nfs/dbraw/zinc/19/75/03/1168197503.db2.gz SAGXPZAAODLVQT-FOLVSLTJSA-N -1 1 318.373 0.752 20 0 DCADMM Cc1ccncc1N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC001600607119 1168212459 /nfs/dbraw/zinc/21/24/59/1168212459.db2.gz UHPBNPBBRNBXRF-UHFFFAOYSA-N -1 1 306.366 0.103 20 0 DCADMM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC001600641272 1168225442 /nfs/dbraw/zinc/22/54/42/1168225442.db2.gz VCEPZKNFSFNLQM-GFCCVEGCSA-N -1 1 324.377 0.792 20 0 DCADMM Cc1n[nH]c(=O)c(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1C ZINC001600668380 1168237110 /nfs/dbraw/zinc/23/71/10/1168237110.db2.gz NLEGOWILIGGKFY-SECBINFHSA-N -1 1 322.365 0.420 20 0 DCADMM Cc1nc(CC(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)n[nH]1 ZINC001600671513 1168240458 /nfs/dbraw/zinc/24/04/58/1168240458.db2.gz LSKLECHLXIULQK-AWEZNQCLSA-N -1 1 303.322 0.557 20 0 DCADMM Cc1nc(C(C)C)ncc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001600687663 1168252851 /nfs/dbraw/zinc/25/28/51/1168252851.db2.gz CIOSCDXEYXRBOF-LBPRGKRZSA-N -1 1 320.393 0.997 20 0 DCADMM Cc1n[nH]c([C@H]2CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2)n1 ZINC001600696805 1168255407 /nfs/dbraw/zinc/25/54/07/1168255407.db2.gz JKTRSWHVFWEQRD-NWDGAFQWSA-N -1 1 323.397 0.518 20 0 DCADMM Cc1nnc([C@H]2CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2)[nH]1 ZINC001600696805 1168255408 /nfs/dbraw/zinc/25/54/08/1168255408.db2.gz JKTRSWHVFWEQRD-NWDGAFQWSA-N -1 1 323.397 0.518 20 0 DCADMM Cc1nc(CN(CCN2CCN(C)CC2)CC(=O)[O-])[nH]c1C ZINC001600700068 1168256840 /nfs/dbraw/zinc/25/68/40/1168256840.db2.gz FETCSSHLCYBZII-UHFFFAOYSA-N -1 1 309.414 0.161 20 0 DCADMM Cc1nc2c(cccc2C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])[nH]1 ZINC001600720975 1168263225 /nfs/dbraw/zinc/26/32/25/1168263225.db2.gz LHGUVOOFDPBLSG-LLVKDONJSA-N -1 1 316.317 0.239 20 0 DCADMM Cc1ncc(CNCC(=O)NCC(=O)[O-])n1-c1ccccc1 ZINC001600736717 1168267458 /nfs/dbraw/zinc/26/74/58/1168267458.db2.gz GQBUZQDUGCMMKL-UHFFFAOYSA-N -1 1 302.334 0.471 20 0 DCADMM Cc1nn(-c2ccncc2)cc1CN1CCO[C@H](C(=O)[O-])C1 ZINC001600765418 1168282599 /nfs/dbraw/zinc/28/25/99/1168282599.db2.gz KFSJPSNHWLTNDJ-AWEZNQCLSA-N -1 1 302.334 0.861 20 0 DCADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCN(CCO)[C@@H](C)C1 ZINC001600785701 1168296947 /nfs/dbraw/zinc/29/69/47/1168296947.db2.gz FSHDABYIUZLTRD-LBPRGKRZSA-N -1 1 324.425 0.473 20 0 DCADMM Cc1nnc2ccc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])cn12 ZINC001600800785 1168299869 /nfs/dbraw/zinc/29/98/69/1168299869.db2.gz CPPBGOJXZDPHFJ-NSHDSACASA-N -1 1 314.305 0.187 20 0 DCADMM Cc1noc(C)c1CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001600808400 1168301264 /nfs/dbraw/zinc/30/12/64/1168301264.db2.gz OCPKGGAJABFBRL-JTQLQIEISA-N -1 1 309.366 0.841 20 0 DCADMM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1 ZINC001600824214 1168476650 /nfs/dbraw/zinc/47/66/50/1168476650.db2.gz HQXWBHRRDJDOJA-VIFPVBQESA-N -1 1 319.321 0.894 20 0 DCADMM Cc1oc(S(=O)(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1C(=O)[O-] ZINC001600856989 1168487702 /nfs/dbraw/zinc/48/77/02/1168487702.db2.gz GQLJLQHTIOXXMP-ONGXEEELSA-N -1 1 314.363 0.611 20 0 DCADMM Cn1cc(C(=O)[O-])c(NC(=O)N2CC[C@H](N3CC=CC3)C2)n1 ZINC001600933862 1168515976 /nfs/dbraw/zinc/51/59/76/1168515976.db2.gz YFNYUQWKXOJWGU-JTQLQIEISA-N -1 1 305.338 0.596 20 0 DCADMM Cn1cc(CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)nn1 ZINC001600951575 1168529288 /nfs/dbraw/zinc/52/92/88/1168529288.db2.gz DEPSAAPRTKRNQJ-UONOGXRCSA-N -1 1 302.334 0.821 20 0 DCADMM Cn1cc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nn1 ZINC001600954897 1168529978 /nfs/dbraw/zinc/52/99/78/1168529978.db2.gz OVWXTPNSXWUMGG-XRRVDJEJSA-N -1 1 321.381 0.053 20 0 DCADMM Cn1ccc(-n2cc(CN(CC(=O)[O-])C3CCOCC3)nn2)n1 ZINC001600972001 1168537939 /nfs/dbraw/zinc/53/79/39/1168537939.db2.gz IIHZDKUOGXDVEA-UHFFFAOYSA-N -1 1 320.353 0.066 20 0 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C/C=C(/C)C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001603958877 1169452685 /nfs/dbraw/zinc/45/26/85/1169452685.db2.gz RDYABMHGSQTDDY-HYHWUIIZSA-N -1 1 316.369 0.882 20 0 DCADMM C[C@H]1c2nncn2CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603957749 1169453710 /nfs/dbraw/zinc/45/37/10/1169453710.db2.gz BDFRDPATCRXUSU-ZETCQYMHSA-N -1 1 300.282 0.268 20 0 DCADMM C[C@H]1c2nncn2CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603957749 1169453713 /nfs/dbraw/zinc/45/37/13/1169453713.db2.gz BDFRDPATCRXUSU-ZETCQYMHSA-N -1 1 300.282 0.268 20 0 DCADMM CCC(=O)N(CC)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001603967449 1169455240 /nfs/dbraw/zinc/45/52/40/1169455240.db2.gz OAAXFCSHLPZIDD-UHFFFAOYSA-N -1 1 304.358 0.636 20 0 DCADMM CCC(=O)N(CC)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001603967449 1169455244 /nfs/dbraw/zinc/45/52/44/1169455244.db2.gz OAAXFCSHLPZIDD-UHFFFAOYSA-N -1 1 304.358 0.636 20 0 DCADMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001603971648 1169460143 /nfs/dbraw/zinc/46/01/43/1169460143.db2.gz 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UGFKVMBFOJJHJJ-VIFPVBQESA-N -1 1 310.383 0.805 20 0 DCADMM Cc1ccc(N[C@@H](C)CCS(C)(=O)=O)nc1-c1nn[n-]n1 ZINC001605872285 1170017624 /nfs/dbraw/zinc/01/76/24/1170017624.db2.gz UGFKVMBFOJJHJJ-VIFPVBQESA-N -1 1 310.383 0.805 20 0 DCADMM Cc1cn2c(n1)CN(C(=O)c1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001605970800 1170039073 /nfs/dbraw/zinc/03/90/73/1170039073.db2.gz QRRAICABSOHWEI-UHFFFAOYSA-N -1 1 310.321 0.423 20 0 DCADMM Cc1cn2c(n1)CN(C(=O)c1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001605970800 1170039081 /nfs/dbraw/zinc/03/90/81/1170039081.db2.gz QRRAICABSOHWEI-UHFFFAOYSA-N -1 1 310.321 0.423 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC(C3(O)CC3)CC2)n1 ZINC001606019708 1170052844 /nfs/dbraw/zinc/05/28/44/1170052844.db2.gz KBHHOCLLHUVBDX-UHFFFAOYSA-N -1 1 301.354 0.706 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC(C3(O)CC3)CC2)n1 ZINC001606019708 1170052851 /nfs/dbraw/zinc/05/28/51/1170052851.db2.gz KBHHOCLLHUVBDX-UHFFFAOYSA-N -1 1 301.354 0.706 20 0 DCADMM CN(C)Cc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1 ZINC001606033966 1170060316 /nfs/dbraw/zinc/06/03/16/1170060316.db2.gz MKFTWWRUSOZVND-ZDUSSCGKSA-N -1 1 307.350 0.459 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H](C)c2nnnn2C)n1 ZINC001606035850 1170063028 /nfs/dbraw/zinc/06/30/28/1170063028.db2.gz VSBDAANTTZJJOE-ZCFIWIBFSA-N -1 1 318.370 0.650 20 0 DCADMM Cc1nn(C)c2c1cnn(Cc1ccc(-c3nnn[n-]3)o1)c2=O ZINC001606112367 1170078746 /nfs/dbraw/zinc/07/87/46/1170078746.db2.gz JLSZHKGHYFGVNF-UHFFFAOYSA-N -1 1 312.293 0.260 20 0 DCADMM Cc1nn(C)c2c1cnn(Cc1ccc(-c3nn[n-]n3)o1)c2=O ZINC001606112367 1170078751 /nfs/dbraw/zinc/07/87/51/1170078751.db2.gz JLSZHKGHYFGVNF-UHFFFAOYSA-N -1 1 312.293 0.260 20 0 DCADMM CN(CCN1CCCC1)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606127252 1170087239 /nfs/dbraw/zinc/08/72/39/1170087239.db2.gz NRRJEDLFRIKAJK-STQMWFEESA-N -1 1 318.439 0.987 20 0 DCADMM Cc1noc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1C ZINC001606133529 1170089601 /nfs/dbraw/zinc/08/96/01/1170089601.db2.gz HXDWBTNTFUFUQW-SSDOTTSWSA-N -1 1 303.286 0.263 20 0 DCADMM Cc1nsc(NC(=O)C[C@@H]2COC(=O)C2)c1-c1nnn[n-]1 ZINC001606149198 1170094478 /nfs/dbraw/zinc/09/44/78/1170094478.db2.gz IKYJPJDAJPEHHP-LURJTMIESA-N -1 1 308.323 0.523 20 0 DCADMM Cc1nsc(NC(=O)C[C@@H]2COC(=O)C2)c1-c1nn[n-]n1 ZINC001606149198 1170094485 /nfs/dbraw/zinc/09/44/85/1170094485.db2.gz IKYJPJDAJPEHHP-LURJTMIESA-N -1 1 308.323 0.523 20 0 DCADMM CN(Cc1ccc(C(=O)[O-])cn1)C[C@@H](O)COC[C@H]1CCCO1 ZINC001606155202 1170095353 /nfs/dbraw/zinc/09/53/53/1170095353.db2.gz AQEMGFWEHVPECO-HUUCEWRRSA-N -1 1 324.377 0.768 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](C)C(=O)N(C)C)c1-c1nnn[n-]1 ZINC001606150961 1170095521 /nfs/dbraw/zinc/09/55/21/1170095521.db2.gz KMDPEGCBPWEFLY-ZCFIWIBFSA-N -1 1 324.370 0.230 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](C)C(=O)N(C)C)c1-c1nn[n-]n1 ZINC001606150961 1170095529 /nfs/dbraw/zinc/09/55/29/1170095529.db2.gz KMDPEGCBPWEFLY-ZCFIWIBFSA-N -1 1 324.370 0.230 20 0 DCADMM Cc1nsc(NC(=O)N2CCC23COC3)c1-c1nnn[n-]1 ZINC001606149815 1170095819 /nfs/dbraw/zinc/09/58/19/1170095819.db2.gz ZXKOZOJVICCMLU-UHFFFAOYSA-N -1 1 307.339 0.638 20 0 DCADMM Cc1nsc(NC(=O)N2CCC23COC3)c1-c1nn[n-]n1 ZINC001606149815 1170095825 /nfs/dbraw/zinc/09/58/25/1170095825.db2.gz ZXKOZOJVICCMLU-UHFFFAOYSA-N -1 1 307.339 0.638 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC001606165882 1170098523 /nfs/dbraw/zinc/09/85/23/1170098523.db2.gz LMRQLDDUWGBVIA-ZETCQYMHSA-N -1 1 304.310 0.071 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC001606165882 1170098531 /nfs/dbraw/zinc/09/85/31/1170098531.db2.gz LMRQLDDUWGBVIA-ZETCQYMHSA-N -1 1 304.310 0.071 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC001606169429 1170100776 /nfs/dbraw/zinc/10/07/76/1170100776.db2.gz LMMMQDJJNJVILX-VDDIYKPWSA-N -1 1 320.305 0.729 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC001606169429 1170100785 /nfs/dbraw/zinc/10/07/85/1170100785.db2.gz LMMMQDJJNJVILX-VDDIYKPWSA-N -1 1 320.305 0.729 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1ncnn1C ZINC001606166949 1170101299 /nfs/dbraw/zinc/10/12/99/1170101299.db2.gz IIXWJPLVPHRCLB-ZCFIWIBFSA-N -1 1 302.298 0.388 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1ncnn1C ZINC001606166949 1170101301 /nfs/dbraw/zinc/10/13/01/1170101301.db2.gz IIXWJPLVPHRCLB-ZCFIWIBFSA-N -1 1 302.298 0.388 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCC(=O)OC(C)C ZINC001606167631 1170101338 /nfs/dbraw/zinc/10/13/38/1170101338.db2.gz RTCSSNWPTYCYMJ-UHFFFAOYSA-N -1 1 307.310 0.840 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCC(=O)OC(C)C ZINC001606167631 1170101342 /nfs/dbraw/zinc/10/13/42/1170101342.db2.gz RTCSSNWPTYCYMJ-UHFFFAOYSA-N -1 1 307.310 0.840 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)c2nccn2C)c1-c1nnn[n-]1 ZINC001606179938 1170104241 /nfs/dbraw/zinc/10/42/41/1170104241.db2.gz PCAMLDFPPSVZOB-ZETCQYMHSA-N -1 1 316.325 0.317 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)c2nccn2C)c1-c1nn[n-]n1 ZINC001606179938 1170104243 /nfs/dbraw/zinc/10/42/43/1170104243.db2.gz PCAMLDFPPSVZOB-ZETCQYMHSA-N -1 1 316.325 0.317 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)c1-c1nnn[n-]1 ZINC001606180032 1170104758 /nfs/dbraw/zinc/10/47/58/1170104758.db2.gz VWIHPQURVCWIKF-ZXFLCMHBSA-N -1 1 306.326 0.388 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)c1-c1nn[n-]n1 ZINC001606180032 1170104761 /nfs/dbraw/zinc/10/47/61/1170104761.db2.gz VWIHPQURVCWIKF-ZXFLCMHBSA-N -1 1 306.326 0.388 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)[C@](C)(CO)C2)c1-c1nnn[n-]1 ZINC001606178227 1170105121 /nfs/dbraw/zinc/10/51/21/1170105121.db2.gz CLMJOTYHEWXQNQ-RTHLEPHNSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)[C@](C)(CO)C2)c1-c1nn[n-]n1 ZINC001606178227 1170105124 /nfs/dbraw/zinc/10/51/24/1170105124.db2.gz CLMJOTYHEWXQNQ-RTHLEPHNSA-N -1 1 320.353 0.183 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@@]2(C)CC2(C)C)c(-c2nn[n-]n2)c1=O ZINC001606205557 1170112997 /nfs/dbraw/zinc/11/29/97/1170112997.db2.gz FXMBIWUBTNGGSI-CYBMUJFWSA-N -1 1 305.342 0.514 20 0 DCADMM CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001606206661 1170113066 /nfs/dbraw/zinc/11/30/66/1170113066.db2.gz YCCWMVLLAUSIDK-ABAIWWIYSA-N -1 1 310.325 0.595 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2noc3ccccc23)n1 ZINC001606221904 1170120419 /nfs/dbraw/zinc/12/04/19/1170120419.db2.gz RKUASTHFUBRTPV-UHFFFAOYSA-N -1 1 324.304 0.923 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2noc3ccccc23)n1 ZINC001606221904 1170120422 /nfs/dbraw/zinc/12/04/22/1170120422.db2.gz RKUASTHFUBRTPV-UHFFFAOYSA-N -1 1 324.304 0.923 20 0 DCADMM Cn1cc(Cl)c(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001606242164 1170134285 /nfs/dbraw/zinc/13/42/85/1170134285.db2.gz MUJMFZLQADPGGX-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM Cn1cc(Cl)c(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001606242164 1170134289 /nfs/dbraw/zinc/13/42/89/1170134289.db2.gz MUJMFZLQADPGGX-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM CNC(=O)[C@@]1(C)CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001606264209 1170140179 /nfs/dbraw/zinc/14/01/79/1170140179.db2.gz WNXDRNLSSOZFJM-INIZCTEOSA-N -1 1 319.361 0.781 20 0 DCADMM Cn1ncc2c1CN(C(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC001606276955 1170145527 /nfs/dbraw/zinc/14/55/27/1170145527.db2.gz FBMHSKFWUMNXKN-UHFFFAOYSA-N -1 1 301.335 0.818 20 0 DCADMM Cn1ncc2c1CN(C(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC001606276955 1170145531 /nfs/dbraw/zinc/14/55/31/1170145531.db2.gz FBMHSKFWUMNXKN-UHFFFAOYSA-N -1 1 301.335 0.818 20 0 DCADMM CNS(=O)(=O)C1CCN(Cc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001606299340 1170154056 /nfs/dbraw/zinc/15/40/56/1170154056.db2.gz YGMIEAGRYWCDBC-UHFFFAOYSA-N -1 1 315.395 0.237 20 0 DCADMM NC(=O)CCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001606412791 1170191230 /nfs/dbraw/zinc/19/12/30/1170191230.db2.gz JTQBMIVTXHENSP-UHFFFAOYSA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)CCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001606412791 1170191234 /nfs/dbraw/zinc/19/12/34/1170191234.db2.gz JTQBMIVTXHENSP-UHFFFAOYSA-N -1 1 302.342 0.139 20 0 DCADMM COC(=O)[C@H]1CNCCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001606431238 1170198624 /nfs/dbraw/zinc/19/86/24/1170198624.db2.gz IVIFHOHLIHBMLL-DUMNWFOQSA-N -1 1 322.317 0.355 20 0 DCADMM O=C(C1CCC1)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001606469262 1170215616 /nfs/dbraw/zinc/21/56/16/1170215616.db2.gz HPSNCMKEHBDZDS-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CCC1)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001606469262 1170215620 /nfs/dbraw/zinc/21/56/20/1170215620.db2.gz HPSNCMKEHBDZDS-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C=Cc1cccs1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001606487224 1170219013 /nfs/dbraw/zinc/21/90/13/1170219013.db2.gz KAXNFCAOJSDJJC-ONEGZZNKSA-N -1 1 316.350 0.349 20 0 DCADMM O=C(C[C@H]1CCCC(=O)N1)Nc1ncc(-c2nnn[n-]2)s1 ZINC001606498382 1170220639 /nfs/dbraw/zinc/22/06/39/1170220639.db2.gz FHMGTAIMLJNIMO-ZCFIWIBFSA-N -1 1 307.339 0.321 20 0 DCADMM O=C(C[C@H]1CCCC(=O)N1)Nc1ncc(-c2nn[n-]n2)s1 ZINC001606498382 1170220643 /nfs/dbraw/zinc/22/06/43/1170220643.db2.gz FHMGTAIMLJNIMO-ZCFIWIBFSA-N -1 1 307.339 0.321 20 0 DCADMM COC(=O)c1[nH]c(CN2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)cc1C ZINC001606522513 1170227538 /nfs/dbraw/zinc/22/75/38/1170227538.db2.gz NKSUVGFMJVMREV-GHMZBOCLSA-N -1 1 324.333 0.415 20 0 DCADMM O=C(CCN1CCOC1=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001606524794 1170227660 /nfs/dbraw/zinc/22/76/60/1170227660.db2.gz YMVQAFQVBRPXAI-UHFFFAOYSA-N -1 1 318.293 0.119 20 0 DCADMM COC(=O)c1[nH]cc(C(=O)[O-])c1NS(=O)(=O)C[C@H](C)OC ZINC001606520638 1170228073 /nfs/dbraw/zinc/22/80/73/1170228073.db2.gz JSYCPNJBAHZBAY-LURJTMIESA-N -1 1 320.323 0.276 20 0 DCADMM O=C(CO[C@H]1CCOC1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606567382 1170235325 /nfs/dbraw/zinc/23/53/25/1170235325.db2.gz YGOKWQVEFPCANA-QMMMGPOBSA-N -1 1 319.325 0.211 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCC1(CO)CC1 ZINC001606595550 1170240375 /nfs/dbraw/zinc/24/03/75/1170240375.db2.gz ZCJGKESHXUDKHJ-UHFFFAOYSA-N -1 1 302.338 0.083 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCC1(CO)CC1 ZINC001606595550 1170240378 /nfs/dbraw/zinc/24/03/78/1170240378.db2.gz ZCJGKESHXUDKHJ-UHFFFAOYSA-N -1 1 302.338 0.083 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1coc(-c2nnn[n-]2)c1 ZINC001606635672 1170249680 /nfs/dbraw/zinc/24/96/80/1170249680.db2.gz UJNKLKDCPISILZ-SNVBAGLBSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1coc(-c2nn[n-]n2)c1 ZINC001606635672 1170249684 /nfs/dbraw/zinc/24/96/84/1170249684.db2.gz UJNKLKDCPISILZ-SNVBAGLBSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccc(-c2nnn[n-]2)n1 ZINC001606696428 1170265380 /nfs/dbraw/zinc/26/53/80/1170265380.db2.gz OPSFKCLGVONFIC-KGLIPLIRSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccc(-c2nn[n-]n2)n1 ZINC001606696428 1170265384 /nfs/dbraw/zinc/26/53/84/1170265384.db2.gz OPSFKCLGVONFIC-KGLIPLIRSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(NCC[C@@H](O)C1CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606752382 1170279082 /nfs/dbraw/zinc/27/90/82/1170279082.db2.gz HVNUSHRWBUFAEO-LLVKDONJSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCC[C@@H](O)C1CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606752382 1170279085 /nfs/dbraw/zinc/27/90/85/1170279085.db2.gz HVNUSHRWBUFAEO-LLVKDONJSA-N -1 1 303.326 0.544 20 0 DCADMM CO[C@@H]1CCN(C(=O)c2cccc3nn[nH]c32)[C@@H](C(=O)[O-])C1 ZINC001606753294 1170279516 /nfs/dbraw/zinc/27/95/16/1170279516.db2.gz ILFZEDHQFPCAEP-LDYMZIIASA-N -1 1 304.306 0.662 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)C1CC=CC1 ZINC001606784808 1170287525 /nfs/dbraw/zinc/28/75/25/1170287525.db2.gz ZEFHXWOHSVYFOL-UHFFFAOYSA-N -1 1 300.326 0.151 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)C1CC=CC1 ZINC001606784808 1170287531 /nfs/dbraw/zinc/28/75/31/1170287531.db2.gz ZEFHXWOHSVYFOL-UHFFFAOYSA-N -1 1 300.326 0.151 20 0 DCADMM O=C(NCCOCC1CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606786998 1170289363 /nfs/dbraw/zinc/28/93/63/1170289363.db2.gz NFMMHDFYMHPZKV-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCOCC1CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606786998 1170289366 /nfs/dbraw/zinc/28/93/66/1170289366.db2.gz NFMMHDFYMHPZKV-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)OCCC(F)(F)F ZINC001606802737 1170295085 /nfs/dbraw/zinc/29/50/85/1170295085.db2.gz PVWJHSSAQREFFN-UHFFFAOYSA-N -1 1 320.235 0.137 20 0 DCADMM COC[C@]1(C)CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C1 ZINC001606834110 1170306204 /nfs/dbraw/zinc/30/62/04/1170306204.db2.gz AVUCELDXMBGBKJ-IUODEOHRSA-N -1 1 300.399 0.960 20 0 DCADMM COCCC1(NS(=O)(=O)c2cc(C(=O)[O-])no2)CCC1 ZINC001606866772 1170317933 /nfs/dbraw/zinc/31/79/33/1170317933.db2.gz OCPDTIMPWURLSZ-UHFFFAOYSA-N -1 1 304.324 0.610 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccnc2ccnn21 ZINC001606935652 1170334880 /nfs/dbraw/zinc/33/48/80/1170334880.db2.gz XXGSXTBFVJHGOS-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccnc2ccnn21 ZINC001606935652 1170334886 /nfs/dbraw/zinc/33/48/86/1170334886.db2.gz XXGSXTBFVJHGOS-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]1CCO ZINC001606943571 1170335473 /nfs/dbraw/zinc/33/54/73/1170335473.db2.gz AHOWMJFXMPGOQH-SNVBAGLBSA-N -1 1 303.326 0.640 20 0 DCADMM 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313.264 0.361 20 0 DCADMM COC[C@@H](NC(=O)[C@H](C)OCc1cccc(C)c1)c1nn[n-]n1 ZINC001362896820 960146637 /nfs/dbraw/zinc/14/66/37/960146637.db2.gz DQDWXAYZCGPUOP-WCQYABFASA-N -1 1 319.365 0.917 20 0 DCADMM CC1(CC(=O)N2CCC(O)(CNCc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001368688470 960161191 /nfs/dbraw/zinc/16/11/91/960161191.db2.gz VHFJUJKGRUWFBE-UHFFFAOYSA-N -1 1 323.397 0.144 20 0 DCADMM COC[C@@H](NC(=O)C[C@@H]1c2ccccc2NC1=O)c1nn[n-]n1 ZINC001362909770 960165154 /nfs/dbraw/zinc/16/51/54/960165154.db2.gz NHVYTDSJMJMPNY-MWLCHTKSSA-N -1 1 316.321 0.129 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001362909198 960165515 /nfs/dbraw/zinc/16/55/15/960165515.db2.gz VWMYDTOFOXHWCS-BDAKNGLRSA-N -1 1 309.322 0.680 20 0 DCADMM CCn1ccnc1[C@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001362916397 960172782 /nfs/dbraw/zinc/17/27/82/960172782.db2.gz VKLUNYFPZFZOFV-ZETCQYMHSA-N -1 1 307.310 0.604 20 0 DCADMM CSc1ncc(C(=O)N2CC[S@@](=O)C[C@@H](C)C2)c(=O)[n-]1 ZINC001362920545 960178585 /nfs/dbraw/zinc/17/85/85/960178585.db2.gz BHKMRZMDCTXFTP-FFVOIRBGSA-N -1 1 315.420 0.745 20 0 DCADMM CSc1ncc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(=O)[n-]1 ZINC001362934858 960196445 /nfs/dbraw/zinc/19/64/45/960196445.db2.gz DKIWVXBTUREJKE-XKSSXDPKSA-N -1 1 322.390 0.630 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccncc2)[n-]1 ZINC001362936129 960198613 /nfs/dbraw/zinc/19/86/13/960198613.db2.gz NXAAEGZJHYBXOA-VIFPVBQESA-N -1 1 303.322 0.796 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccncc2)n[n-]1 ZINC001362936129 960198618 /nfs/dbraw/zinc/19/86/18/960198618.db2.gz NXAAEGZJHYBXOA-VIFPVBQESA-N -1 1 303.322 0.796 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccncc2)n1 ZINC001362936129 960198622 /nfs/dbraw/zinc/19/86/22/960198622.db2.gz NXAAEGZJHYBXOA-VIFPVBQESA-N -1 1 303.322 0.796 20 0 DCADMM CC(C)([N-]S(=O)(=O)c1ccc(F)nc1F)c1ncon1 ZINC001309895189 960213243 /nfs/dbraw/zinc/21/32/43/960213243.db2.gz YCPKGLZRNORSSU-UHFFFAOYSA-N -1 1 304.278 0.956 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2cnc(SC)[n-]c2=O)C[C@H]1C ZINC001362949652 960215633 /nfs/dbraw/zinc/21/56/33/960215633.db2.gz OAOPFKFAXRUTNC-VXNVDRBHSA-N -1 1 311.363 0.785 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001362950675 960216642 /nfs/dbraw/zinc/21/66/42/960216642.db2.gz SFROBIOYCNSSBL-SNVBAGLBSA-N -1 1 323.334 0.092 20 0 DCADMM CCCS(=O)(=O)CC(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC001362961852 960232088 /nfs/dbraw/zinc/23/20/88/960232088.db2.gz PSAQQOLPQYHFQH-UHFFFAOYSA-N -1 1 319.408 0.345 20 0 DCADMM NC(=O)N1CCC[C@@H](CNC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001362982878 960255295 /nfs/dbraw/zinc/25/52/95/960255295.db2.gz TUQOQATYBHAUJH-VIFPVBQESA-N -1 1 319.365 0.580 20 0 DCADMM CC(=O)C(C)(C)CCC(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001363030391 960320978 /nfs/dbraw/zinc/32/09/78/960320978.db2.gz UIKLZVQLGKQQJD-UHFFFAOYSA-N -1 1 309.370 0.405 20 0 DCADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCCC(=O)C2CC2)n1 ZINC001363111242 960412440 /nfs/dbraw/zinc/41/24/40/960412440.db2.gz POIGWNSAGZAWSN-UHFFFAOYSA-N -1 1 300.340 0.296 20 0 DCADMM CS(=O)(=O)c1nnc(NC(=O)CCCC(=O)C2CC2)[n-]1 ZINC001363111242 960412447 /nfs/dbraw/zinc/41/24/47/960412447.db2.gz POIGWNSAGZAWSN-UHFFFAOYSA-N -1 1 300.340 0.296 20 0 DCADMM CCC(CC)(NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1nn[n-]n1 ZINC001363135889 960455021 /nfs/dbraw/zinc/45/50/21/960455021.db2.gz KZTHEBJZTZQKHD-SNVBAGLBSA-N -1 1 322.413 0.978 20 0 DCADMM C[C@H](CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)NC(N)=O ZINC001363161965 960511515 /nfs/dbraw/zinc/51/15/15/960511515.db2.gz LGRDMRHYQORDSO-SECBINFHSA-N -1 1 303.322 0.963 20 0 DCADMM COC(=O)c1ccc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)cc1F ZINC001363217052 960626206 /nfs/dbraw/zinc/62/62/06/960626206.db2.gz LODMSRRZWQLZIA-VIFPVBQESA-N -1 1 319.296 0.755 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC001363257228 960714932 /nfs/dbraw/zinc/71/49/32/960714932.db2.gz YIVKXNATJAYQTI-BDAKNGLRSA-N -1 1 313.379 0.482 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1C ZINC001574298686 960716692 /nfs/dbraw/zinc/71/66/92/960716692.db2.gz LXQWJWBONYYWGG-JTQLQIEISA-N -1 1 308.338 0.222 20 0 DCADMM C[C@H](NC(=O)c1ccccc1)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363326994 960904707 /nfs/dbraw/zinc/90/47/07/960904707.db2.gz PLPKJTJVQZNHTI-VIFPVBQESA-N -1 1 316.317 0.323 20 0 DCADMM C[C@@](O)(CCc1ccccc1)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363332995 960916725 /nfs/dbraw/zinc/91/67/25/960916725.db2.gz XULKLQQVEKAPAV-MRXNPFEDSA-N -1 1 317.345 0.888 20 0 DCADMM C[C@](O)(CCc1ccccc1)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363332988 960919955 /nfs/dbraw/zinc/91/99/55/960919955.db2.gz XULKLQQVEKAPAV-INIZCTEOSA-N -1 1 317.345 0.888 20 0 DCADMM C[C@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CCC(=O)N1 ZINC001363346386 960947997 /nfs/dbraw/zinc/94/79/97/960947997.db2.gz WECLNLZWVICLOE-XHVZSJERSA-N -1 1 314.349 0.320 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)CCCO)co1 ZINC001363346784 960948185 /nfs/dbraw/zinc/94/81/85/960948185.db2.gz XJHGEBYXUNASOD-SECBINFHSA-N -1 1 304.368 0.326 20 0 DCADMM C[C@H](CCC(C)(C)C)C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001377931651 960998515 /nfs/dbraw/zinc/99/85/15/960998515.db2.gz HLYOOZSLEAZBTD-LLVKDONJSA-N -1 1 323.441 0.871 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)COCC(=O)NCc1cccnc1 ZINC001363376158 961017599 /nfs/dbraw/zinc/01/75/99/961017599.db2.gz IGKGYAMITWHWLB-UHFFFAOYSA-N -1 1 319.321 0.090 20 0 DCADMM O=C([O-])C[C@@H](NC(=O)CCCc1nn[nH]n1)c1ccncc1 ZINC001571085409 961052668 /nfs/dbraw/zinc/05/26/68/961052668.db2.gz OSGNVBRNESXKAN-SNVBAGLBSA-N -1 1 304.310 0.250 20 0 DCADMM CN(C)CC(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)[O-] ZINC001571085777 961058251 /nfs/dbraw/zinc/05/82/51/961058251.db2.gz DPEKFCRVUJLIDK-HNNXBMFYSA-N -1 1 304.350 0.557 20 0 DCADMM C[C@@](O)(CC(=O)N1CCOC[C@@H]1c1nn[n-]n1)c1ccccc1 ZINC001363406749 961089156 /nfs/dbraw/zinc/08/91/56/961089156.db2.gz DXDVUEBEOGCWDN-IUODEOHRSA-N -1 1 317.349 0.397 20 0 DCADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001377972605 961094078 /nfs/dbraw/zinc/09/40/78/961094078.db2.gz SXBQOBKFKZTJJO-WCQYABFASA-N -1 1 321.425 0.483 20 0 DCADMM COC[C@@H](NC(=O)CN1CCc2ccccc21)c1nn[n-]n1 ZINC001363419121 961115446 /nfs/dbraw/zinc/11/54/46/961115446.db2.gz VKHHRVGULORFJJ-LLVKDONJSA-N -1 1 302.338 0.066 20 0 DCADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001377992404 961137135 /nfs/dbraw/zinc/13/71/35/961137135.db2.gz KMBKZKRMAUCBKQ-BDJLRTHQSA-N -1 1 321.425 0.483 20 0 DCADMM COC[C@H](NC(=O)c1cn(C(C)(C)C)nc1C)c1nn[n-]n1 ZINC001363435154 961145958 /nfs/dbraw/zinc/14/59/58/961145958.db2.gz LURNOTYBKBPYEM-JTQLQIEISA-N -1 1 307.358 0.577 20 0 DCADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCC(=O)O1 ZINC001363466786 961217207 /nfs/dbraw/zinc/21/72/07/961217207.db2.gz PRSPDQPTZFVJJO-XHNCKOQMSA-N -1 1 322.283 0.750 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)COc2cccnc2)[n-]1 ZINC001363472471 961226276 /nfs/dbraw/zinc/22/62/76/961226276.db2.gz DNVGUSIXKANKLR-VIFPVBQESA-N -1 1 319.321 0.633 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)COc2cccnc2)n[n-]1 ZINC001363472471 961226286 /nfs/dbraw/zinc/22/62/86/961226286.db2.gz DNVGUSIXKANKLR-VIFPVBQESA-N -1 1 319.321 0.633 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)COc2cccnc2)n1 ZINC001363472471 961226294 /nfs/dbraw/zinc/22/62/94/961226294.db2.gz DNVGUSIXKANKLR-VIFPVBQESA-N -1 1 319.321 0.633 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)Cc2ccc(F)cn2)n[n-]1 ZINC001363476075 961232847 /nfs/dbraw/zinc/23/28/47/961232847.db2.gz OXBXRYUQQLWNHY-QMMMGPOBSA-N -1 1 321.312 0.935 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)Cc2ccc(F)cn2)[n-]1 ZINC001363476075 961232865 /nfs/dbraw/zinc/23/28/65/961232865.db2.gz OXBXRYUQQLWNHY-QMMMGPOBSA-N -1 1 321.312 0.935 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)Cc2ccc(F)cn2)n1 ZINC001363476075 961232879 /nfs/dbraw/zinc/23/28/79/961232879.db2.gz OXBXRYUQQLWNHY-QMMMGPOBSA-N -1 1 321.312 0.935 20 0 DCADMM CCC(=O)N1CCC[C@H](C(=O)NCc2nc([O-])cc(=O)[nH]2)C1 ZINC001363488626 961259042 /nfs/dbraw/zinc/25/90/42/961259042.db2.gz HQJVCGPORXHUMY-VIFPVBQESA-N -1 1 308.338 0.153 20 0 DCADMM CC(=O)N[C@H](CCC(C)C)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363488749 961259880 /nfs/dbraw/zinc/25/98/80/961259880.db2.gz WRQYPQPKYGYSHZ-SNVBAGLBSA-N -1 1 310.354 0.445 20 0 DCADMM O=C(c1cnn(C2CCC2)c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001363513065 961321154 /nfs/dbraw/zinc/32/11/54/961321154.db2.gz PKMFYGRORMRLIH-LLVKDONJSA-N -1 1 303.326 0.335 20 0 DCADMM CC(=O)Nc1cccnc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001363519012 961344721 /nfs/dbraw/zinc/34/47/21/961344721.db2.gz JYWNTLLPKZRVCS-UHFFFAOYSA-N -1 1 315.337 0.573 20 0 DCADMM CC(C)(CNC(=O)c1cnc(C2CC2)[n-]c1=O)[C@@]1(O)CCOC1 ZINC001363520764 961348839 /nfs/dbraw/zinc/34/88/39/961348839.db2.gz YPDMVLGEFFXVQE-MRXNPFEDSA-N -1 1 321.377 0.967 20 0 DCADMM O=C(NC1(CNC(=O)[C@@H]2CCCCO2)CC1)c1ncccc1[O-] ZINC001378736883 961366519 /nfs/dbraw/zinc/36/65/19/961366519.db2.gz UYHVSXSZQIXRMD-LBPRGKRZSA-N -1 1 319.361 0.735 20 0 DCADMM COC1(C(=O)N[C@@H](CCSC)c2nn[n-]n2)CCOCC1 ZINC001363529706 961370482 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O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cnncc1[O-] ZINC001450252616 1014989132 /nfs/dbraw/zinc/98/91/32/1014989132.db2.gz CNWNVENWFDHMGD-VIFPVBQESA-N -1 1 316.292 0.857 20 0 DCADMM CCN1C[C@H](CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)OC1=O ZINC001596397957 983949412 /nfs/dbraw/zinc/94/94/12/983949412.db2.gz QLOATXMCJXBFQF-GWCFXTLKSA-N -1 1 324.333 0.957 20 0 DCADMM CCN1CCCC[C@H]1CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001596425717 984076981 /nfs/dbraw/zinc/07/69/81/984076981.db2.gz XBIHYVIMVZACLT-VIFPVBQESA-N -1 1 316.383 0.261 20 0 DCADMM CCN1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)[C@H](C)C1 ZINC001596430707 984096780 /nfs/dbraw/zinc/09/67/80/984096780.db2.gz BEJIABZPWUGRLW-LLVKDONJSA-N -1 1 307.350 0.099 20 0 DCADMM CNC(=O)[C@]12CN(c3cc(Cl)[n-]c(=O)n3)C[C@H]1COCC2 ZINC001551409224 1015045690 /nfs/dbraw/zinc/04/56/90/1015045690.db2.gz NELXKZZEKBJUHK-ISVAXAHUSA-N -1 1 312.757 0.425 20 0 DCADMM C[C@H](NCc1ccc(C(C)(C)O)cc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599900461 984813059 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/nfs/dbraw/zinc/05/10/12/262051012.db2.gz FOSMMCRLVRHRQI-NSHDSACASA-N -1 1 304.368 0.990 20 0 DCADMM NC(=O)CSCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000362971264 262091142 /nfs/dbraw/zinc/09/11/42/262091142.db2.gz BJANXNWHLIABIU-UHFFFAOYSA-N -1 1 306.347 0.939 20 0 DCADMM O=C(CCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1cccs1 ZINC000363394424 262113632 /nfs/dbraw/zinc/11/36/32/262113632.db2.gz BHYFPZSSGZGKAW-SNVBAGLBSA-N -1 1 321.362 0.824 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N1CCO[C@@H](C2CCC2)C1 ZINC000412470456 262189867 /nfs/dbraw/zinc/18/98/67/262189867.db2.gz ZVLWPIWGPQGOQW-CYBMUJFWSA-N -1 1 319.361 0.545 20 0 DCADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)C)o1 ZINC000416615981 262234516 /nfs/dbraw/zinc/23/45/16/262234516.db2.gz BNNSBKCDCJXHNS-QMMMGPOBSA-N -1 1 318.351 0.258 20 0 DCADMM O=S(=O)([N-][C@@H](CO)[C@H]1CCCOC1)c1sccc1F ZINC000416612660 262234598 /nfs/dbraw/zinc/23/45/98/262234598.db2.gz QJBMRFMVROGEDK-WPRPVWTQSA-N -1 1 309.384 0.953 20 0 DCADMM CC[C@@H](CS(=O)(=O)[N-]c1ccccc1-n1cnnn1)OC ZINC000421156562 262391374 /nfs/dbraw/zinc/39/13/74/262391374.db2.gz QACDYYRTSUHFON-JTQLQIEISA-N -1 1 311.367 0.829 20 0 DCADMM CCCn1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cn1 ZINC000359560080 271126003 /nfs/dbraw/zinc/12/60/03/271126003.db2.gz FZMGZGYRAWEDBM-UHFFFAOYSA-N -1 1 324.362 0.898 20 0 DCADMM CC(C)(NC(=O)c1ccc(CNC(N)=O)cc1)c1nn[n-]n1 ZINC000359792294 271143303 /nfs/dbraw/zinc/14/33/03/271143303.db2.gz RHJCGNPUSUVLHQ-UHFFFAOYSA-N -1 1 303.326 0.033 20 0 DCADMM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC(C)(C)c2nn[n-]n2)C1 ZINC000359787292 271144128 /nfs/dbraw/zinc/14/41/28/271144128.db2.gz LHPUCLGHISZXRM-WDEREUQCSA-N -1 1 322.413 0.836 20 0 DCADMM Cc1ccc2oc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)cc2n1 ZINC000370853343 271214995 /nfs/dbraw/zinc/21/49/95/271214995.db2.gz RYCLKIGFRMWHTI-LBPRGKRZSA-N -1 1 314.305 0.863 20 0 DCADMM O=C(NC[C@H]1CC[C@@H](CO)O1)c1nc2ccccc2c(=O)[n-]1 ZINC000431701703 271479755 /nfs/dbraw/zinc/47/97/55/271479755.db2.gz 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ZINC000492946428 272160227 /nfs/dbraw/zinc/16/02/27/272160227.db2.gz WFLKVDPBPXLFKG-QMMMGPOBSA-N -1 1 312.374 0.854 20 0 DCADMM COC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1 ZINC000494398766 272220455 /nfs/dbraw/zinc/22/04/55/272220455.db2.gz HFZPGXWBBMDEBP-QWRGUYRKSA-N -1 1 322.369 0.384 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)OC(C)(C)C)nc1=O ZINC000495274784 272244100 /nfs/dbraw/zinc/24/41/00/272244100.db2.gz BTDNXOSMTYBJLZ-SNVBAGLBSA-N -1 1 311.386 0.598 20 0 DCADMM COCC(NC(=O)OC(C)(C)C)=C(O)N=c1[n-]c(C)no1 ZINC000495678629 272264529 /nfs/dbraw/zinc/26/45/29/272264529.db2.gz BDNZBNOCTRBAOO-QMMMGPOBSA-N -1 1 300.315 0.278 20 0 DCADMM CC(C)(C)OC(=O)NN1C[C@@H](C(=O)[N-]OC2CCC2)CC1=O ZINC000497232039 272377647 /nfs/dbraw/zinc/37/76/47/272377647.db2.gz WSARCJDNWFGGAS-VIFPVBQESA-N -1 1 313.354 0.875 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)NC(=O)CO2)c1nn[n-]n1 ZINC000547810989 288081928 /nfs/dbraw/zinc/08/19/28/288081928.db2.gz FSBKBNSFNJJULY-QMMMGPOBSA-N -1 1 316.321 0.406 20 0 DCADMM CC(C)C[C@H]1C[C@H](C(=O)NC(C)(C)c2nn[n-]n2)CC(=O)N1 ZINC000349125527 279226545 /nfs/dbraw/zinc/22/65/45/279226545.db2.gz DZHVCJNPEWTSTI-UWVGGRQHSA-N -1 1 308.386 0.492 20 0 DCADMM O=C(c1cnc2n1CCCC2)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000551925521 288245724 /nfs/dbraw/zinc/24/57/24/288245724.db2.gz OQLYILDQEGDQHM-JTQLQIEISA-N -1 1 301.354 0.752 20 0 DCADMM CN1C(=O)C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1=O ZINC000555556474 288355128 /nfs/dbraw/zinc/35/51/28/288355128.db2.gz UHNXTBLJABUCMG-MRVPVSSYSA-N -1 1 316.235 0.898 20 0 DCADMM CC[C@]([N-]S(=O)(=O)c1ncn(C)c1Cl)(C(N)=O)C(C)C ZINC000181525907 288424476 /nfs/dbraw/zinc/42/44/76/288424476.db2.gz OPFMRQWGVWQAJV-LLVKDONJSA-N -1 1 322.818 0.642 20 0 DCADMM CCOC(=O)c1cc(NC(=O)c2c(C)c(C)nn(C)c2=O)n[n-]1 ZINC000562327663 288566275 /nfs/dbraw/zinc/56/62/75/288566275.db2.gz JYLCTVFLEHFMNO-UHFFFAOYSA-N -1 1 319.321 0.549 20 0 DCADMM Nc1nc(-n2cccn2)cc(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)n1 ZINC000263556143 295366415 /nfs/dbraw/zinc/36/64/15/295366415.db2.gz OKFGEHBKEZAAQJ-ZUZCIYMTSA-N -1 1 314.349 0.936 20 0 DCADMM COC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(=O)OC ZINC000298133516 533706347 /nfs/dbraw/zinc/70/63/47/533706347.db2.gz IRJIRQVCSBYXLT-VIFPVBQESA-N -1 1 315.709 0.880 20 0 DCADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)NC1CCCC1 ZINC000571126377 333664077 /nfs/dbraw/zinc/66/40/77/333664077.db2.gz DYGHJTNTTBAPSG-MRVPVSSYSA-N -1 1 300.327 0.550 20 0 DCADMM CO[C@@H]1C[C@H](C(=O)[O-])N(C[C@@H](O)COc2ccccc2C)C1 ZINC000582671592 337119005 /nfs/dbraw/zinc/11/90/05/337119005.db2.gz ROPUKLUZHKSALH-MGPQQGTHSA-N -1 1 309.362 0.909 20 0 DCADMM CC(=O)c1ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc1O ZINC000583262614 337294085 /nfs/dbraw/zinc/29/40/85/337294085.db2.gz ATXBGMJXXXJWEG-UHFFFAOYSA-N -1 1 308.334 0.683 20 0 DCADMM CCN1CCN(CC(=O)NC2(C(=O)[O-])CCSCC2)CC1 ZINC001605481627 1159793415 /nfs/dbraw/zinc/79/34/15/1159793415.db2.gz AAXVGVJTIHSCGG-UHFFFAOYSA-N -1 1 315.439 0.091 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)CC(C)(C)C)c1nn[n-]n1 ZINC000188091588 533724426 /nfs/dbraw/zinc/72/44/26/533724426.db2.gz HIEMBLKVQHHASV-UWVGGRQHSA-N -1 1 310.402 0.703 20 0 DCADMM CCC[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1nn[n-]n1 ZINC000267553349 521142960 /nfs/dbraw/zinc/14/29/60/521142960.db2.gz DNPJWOYOSAZCMC-JTQLQIEISA-N -1 1 316.321 0.802 20 0 DCADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCOC2)o1 ZINC000266132873 522160141 /nfs/dbraw/zinc/16/01/41/522160141.db2.gz BIKZMBRUDGULCW-RKDXNWHRSA-N -1 1 303.336 0.770 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](O)C2(C)C)co1 ZINC000190525266 522267399 /nfs/dbraw/zinc/26/73/99/522267399.db2.gz VREIGUHNQHAFCU-DTWKUNHWSA-N -1 1 302.352 0.077 20 0 DCADMM CC[C@@H]1CN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)CCO1 ZINC000162626165 523429403 /nfs/dbraw/zinc/42/94/03/523429403.db2.gz SWSUCKPXVWBXOW-SNVBAGLBSA-N -1 1 302.352 0.439 20 0 DCADMM CC(C)c1ncc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)cn1 ZINC000285307367 534901786 /nfs/dbraw/zinc/90/17/86/534901786.db2.gz RWZFJLDGXPLYQE-SECBINFHSA-N -1 1 300.384 0.818 20 0 DCADMM C[C@H](C(=O)[O-])N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000237465970 526183035 /nfs/dbraw/zinc/18/30/35/526183035.db2.gz USFIGIMKDNHUJG-HIFRSBDPSA-N -1 1 317.389 0.883 20 0 DCADMM NC(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)O1 ZINC000131423458 526974890 /nfs/dbraw/zinc/97/48/90/526974890.db2.gz UTHOFDITPCMARQ-WPRPVWTQSA-N -1 1 320.317 0.276 20 0 DCADMM O=C(CS(=O)(=O)c1nc(-c2ccccc2F)n[n-]1)NC1CC1 ZINC000195127068 527008651 /nfs/dbraw/zinc/00/86/51/527008651.db2.gz LDEYDFUSLJMXGO-UHFFFAOYSA-N -1 1 324.337 0.663 20 0 DCADMM O=C(CS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1)NC1CC1 ZINC000195127068 527008656 /nfs/dbraw/zinc/00/86/56/527008656.db2.gz LDEYDFUSLJMXGO-UHFFFAOYSA-N -1 1 324.337 0.663 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCCCO1 ZINC000151698269 527116110 /nfs/dbraw/zinc/11/61/10/527116110.db2.gz BLACRZSFXDXQKH-GFCCVEGCSA-N -1 1 304.350 0.825 20 0 DCADMM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1c(C)onc1N)C(C)C ZINC000295845416 527764494 /nfs/dbraw/zinc/76/44/94/527764494.db2.gz WSJKNHVZOINIRX-VIFPVBQESA-N -1 1 318.399 0.346 20 0 DCADMM CC[C@H](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]C)o1)OC ZINC000295853185 529212209 /nfs/dbraw/zinc/21/22/09/529212209.db2.gz WKJRJHFJZMCINJ-GXSJLCMTSA-N -1 1 318.395 0.979 20 0 DCADMM Cn1[n-]c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1=O ZINC000665853659 546408076 /nfs/dbraw/zinc/40/80/76/546408076.db2.gz SQYWTFQXWCWAGH-UHFFFAOYSA-N -1 1 316.365 0.525 20 0 DCADMM O=C(c1ncc2ccccc2c1[O-])N1CCS(=O)(=O)CC1 ZINC000668061965 546688450 /nfs/dbraw/zinc/68/84/50/546688450.db2.gz UWFTYVNGEVQZBT-UHFFFAOYSA-N -1 1 306.343 0.811 20 0 DCADMM C[C@H](NC(=O)c1cc(=O)n(C)[n-]1)C1(N2CCOCC2)CCCC1 ZINC000669223120 546939712 /nfs/dbraw/zinc/93/97/12/546939712.db2.gz HNMQFTFHEYEYMX-LBPRGKRZSA-N -1 1 322.409 0.889 20 0 DCADMM Cn1cncc1CCC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000670325612 547069671 /nfs/dbraw/zinc/06/96/71/547069671.db2.gz WGMKWFIQCUDFQK-AWEZNQCLSA-N -1 1 311.349 0.772 20 0 DCADMM CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000670383847 547073314 /nfs/dbraw/zinc/07/33/14/547073314.db2.gz OTQUXCGYOMOUME-RKDXNWHRSA-N -1 1 311.342 0.318 20 0 DCADMM CC(C)(CNC(=O)C(=O)c1ccc([O-])cc1)NS(C)(=O)=O ZINC000672879946 547418975 /nfs/dbraw/zinc/41/89/75/547418975.db2.gz HAHJRVWJQPGUQQ-UHFFFAOYSA-N -1 1 314.363 0.019 20 0 DCADMM O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCc1nn[n-]n1 ZINC000673668307 547511701 /nfs/dbraw/zinc/51/17/01/547511701.db2.gz VEOCWPIZGXSIPX-LLVKDONJSA-N -1 1 314.271 0.709 20 0 DCADMM Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccncc1[O-] ZINC000673933749 547542851 /nfs/dbraw/zinc/54/28/51/547542851.db2.gz AHTBBMBBVVVTEE-UHFFFAOYSA-N -1 1 307.331 0.417 20 0 DCADMM CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1 ZINC000677048041 547841795 /nfs/dbraw/zinc/84/17/95/547841795.db2.gz PAEBPLCMBOQCCC-VXGBXAGGSA-N -1 1 320.397 0.554 20 0 DCADMM COCc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)[nH]n2)cc1 ZINC000679202561 548033891 /nfs/dbraw/zinc/03/38/91/548033891.db2.gz JZMCMZFCTGGCAI-UHFFFAOYSA-N -1 1 310.335 0.456 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc2nc[nH]c2n1 ZINC000680476805 548145762 /nfs/dbraw/zinc/14/57/62/548145762.db2.gz IKAAWOBCGGTFEU-GFCCVEGCSA-N -1 1 320.316 0.990 20 0 DCADMM CNC(=O)CN1CCC(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681018017 548193964 /nfs/dbraw/zinc/19/39/64/548193964.db2.gz IBEGLAAIWXQFFX-UHFFFAOYSA-N -1 1 309.341 0.472 20 0 DCADMM CN(C)C(=O)c1ccc(CNC2(c3nn[n-]n3)CCCC2)[nH]1 ZINC000681166182 548210934 /nfs/dbraw/zinc/21/09/34/548210934.db2.gz SJYJKJAOTZGDHK-UHFFFAOYSA-N -1 1 303.370 0.789 20 0 DCADMM CN(C)C(=O)c1ccc(CNC2(c3nnn[n-]3)CCCC2)[nH]1 ZINC000681166182 548210936 /nfs/dbraw/zinc/21/09/36/548210936.db2.gz SJYJKJAOTZGDHK-UHFFFAOYSA-N -1 1 303.370 0.789 20 0 DCADMM Cc1nc(N)nc(C)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000681223155 548217786 /nfs/dbraw/zinc/21/77/86/548217786.db2.gz NTXNVOGXDODXDP-SECBINFHSA-N -1 1 302.342 0.209 20 0 DCADMM CCCc1nc(C)c(NC(=O)C(=O)NCc2nn[n-]n2)s1 ZINC000681623150 548273148 /nfs/dbraw/zinc/27/31/48/548273148.db2.gz DKCJPULHDJVBIH-UHFFFAOYSA-N -1 1 309.355 0.172 20 0 DCADMM COc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)ccc1O ZINC000682362224 548373802 /nfs/dbraw/zinc/37/38/02/548373802.db2.gz SSWAZFFQDUOMNY-JTQLQIEISA-N -1 1 303.322 0.934 20 0 DCADMM O=C(NCc1nn[n-]n1)c1ccc(OCC(F)(F)F)cn1 ZINC000683407986 548479912 /nfs/dbraw/zinc/47/99/12/548479912.db2.gz GIAMSOICUMZSQN-UHFFFAOYSA-N -1 1 302.216 0.466 20 0 DCADMM CCO[C@H]1C[C@@H]1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000683516930 548494156 /nfs/dbraw/zinc/49/41/56/548494156.db2.gz LDXIJKINHMXZJA-RYUDHWBXSA-N -1 1 304.350 0.888 20 0 DCADMM CCCNC(=O)CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000683687218 548510870 /nfs/dbraw/zinc/51/08/70/548510870.db2.gz RMYFBBGGCJFTLW-UHFFFAOYSA-N -1 1 308.363 0.772 20 0 DCADMM CCCNC(=O)CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000683687218 548510875 /nfs/dbraw/zinc/51/08/75/548510875.db2.gz RMYFBBGGCJFTLW-UHFFFAOYSA-N -1 1 308.363 0.772 20 0 DCADMM Cc1nc2cc(F)c(F)cc2n1CC(=O)NCc1nn[n-]n1 ZINC000684439948 548605893 /nfs/dbraw/zinc/60/58/93/548605893.db2.gz IGQXMPMKFDVODQ-UHFFFAOYSA-N -1 1 307.264 0.452 20 0 DCADMM Cc1csc(CC[N-]S(=O)(=O)c2c(C)onc2N)n1 ZINC000685490531 548714704 /nfs/dbraw/zinc/71/47/04/548714704.db2.gz PRWADDZFWGAMEU-UHFFFAOYSA-N -1 1 302.381 0.851 20 0 DCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000685721585 548730940 /nfs/dbraw/zinc/73/09/40/548730940.db2.gz JMHUHBASELAMII-UHFFFAOYSA-N -1 1 323.316 0.517 20 0 DCADMM O=S(=O)([N-][C@H](CO)c1ncc[nH]1)c1ccc(Cl)nc1F ZINC001671800724 1175037151 /nfs/dbraw/zinc/03/71/51/1175037151.db2.gz OAMZXXMXYUDSJK-ZCFIWIBFSA-N -1 1 320.733 0.609 20 0 DCADMM O=C(Cn1cnnc1-c1nn[n-]n1)Nc1cccc(Cl)c1 ZINC000737988503 598876112 /nfs/dbraw/zinc/87/61/12/598876112.db2.gz KJZNBVRAKKMRPT-UHFFFAOYSA-N -1 1 304.701 0.750 20 0 DCADMM OC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCOCC1 ZINC000738390886 598965934 /nfs/dbraw/zinc/96/59/34/598965934.db2.gz UDUIOYVCDZSDPB-UHFFFAOYSA-N -1 1 310.745 0.869 20 0 DCADMM OC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCOCC1 ZINC000738390886 598965935 /nfs/dbraw/zinc/96/59/35/598965935.db2.gz UDUIOYVCDZSDPB-UHFFFAOYSA-N -1 1 310.745 0.869 20 0 DCADMM COC(=O)CCCCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736912778 599019468 /nfs/dbraw/zinc/01/94/68/599019468.db2.gz VMENTOWNIASNSG-UHFFFAOYSA-N -1 1 318.337 0.725 20 0 DCADMM COC(=O)CCCCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736912778 599019469 /nfs/dbraw/zinc/01/94/69/599019469.db2.gz VMENTOWNIASNSG-UHFFFAOYSA-N -1 1 318.337 0.725 20 0 DCADMM CC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](C)O1 ZINC000736412549 599031193 /nfs/dbraw/zinc/03/11/93/599031193.db2.gz VOJWSDKGTYHTAU-KOLCDFICSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](C)O1 ZINC000736412549 599031195 /nfs/dbraw/zinc/03/11/95/599031195.db2.gz VOJWSDKGTYHTAU-KOLCDFICSA-N -1 1 302.338 0.901 20 0 DCADMM COC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736978063 599032857 /nfs/dbraw/zinc/03/28/57/599032857.db2.gz OCZUUWLSWBRTIN-JTQLQIEISA-N -1 1 302.338 0.760 20 0 DCADMM COC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736978063 599032859 /nfs/dbraw/zinc/03/28/59/599032859.db2.gz OCZUUWLSWBRTIN-JTQLQIEISA-N -1 1 302.338 0.760 20 0 DCADMM CCC(CC)[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736337526 599108409 /nfs/dbraw/zinc/10/84/09/599108409.db2.gz KFOLDZRFKZHSKN-GFCCVEGCSA-N -1 1 304.354 0.789 20 0 DCADMM CCC(CC)[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736337526 599108410 /nfs/dbraw/zinc/10/84/10/599108410.db2.gz KFOLDZRFKZHSKN-GFCCVEGCSA-N -1 1 304.354 0.789 20 0 DCADMM COc1ccsc1S(=O)(=O)N(CCN(C)C)CC(=O)[O-] ZINC000818635760 597052652 /nfs/dbraw/zinc/05/26/52/597052652.db2.gz HEDGQLAKKJHDDE-UHFFFAOYSA-N -1 1 322.408 0.394 20 0 DCADMM O=C([O-])CCNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000819473203 597403454 /nfs/dbraw/zinc/40/34/54/597403454.db2.gz DFQVJNSZSYBSHL-UHFFFAOYSA-N -1 1 307.331 0.276 20 0 DCADMM CC(=O)Nc1cccc(NC(=O)CN2CC[C@@H](C(=O)[O-])C2)c1 ZINC000817715740 597528152 /nfs/dbraw/zinc/52/81/52/597528152.db2.gz CGOZPSDTJNNDGC-LLVKDONJSA-N -1 1 305.334 0.990 20 0 DCADMM CCNC(=O)c1cccc(NC(=O)CN2CC[C@H](C(=O)[O-])C2)c1 ZINC000818213469 597536412 /nfs/dbraw/zinc/53/64/12/597536412.db2.gz ILBNXCGOOTYDLU-LBPRGKRZSA-N -1 1 319.361 0.781 20 0 DCADMM CC(=O)NCCN(C(=O)c1cccc2[nH]cnc21)[C@@H](C)C(=O)[O-] ZINC000819758299 597692324 /nfs/dbraw/zinc/69/23/24/597692324.db2.gz WHOKQYGHLPNOIN-VIFPVBQESA-N -1 1 318.333 0.614 20 0 DCADMM Cc1cccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])c1F ZINC000313207078 597708945 /nfs/dbraw/zinc/70/89/45/597708945.db2.gz GIOAOMUEVCZMFF-UHFFFAOYSA-N -1 1 318.370 0.771 20 0 DCADMM O=C([O-])CCCN1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000821524182 597767334 /nfs/dbraw/zinc/76/73/34/597767334.db2.gz MCQDSOCANDAWEC-UHFFFAOYSA-N -1 1 311.426 0.871 20 0 DCADMM CC(C)[C@@H](NCC(=O)NCCN1CCc2ccccc21)C(=O)[O-] ZINC000820041732 598188835 /nfs/dbraw/zinc/18/88/35/598188835.db2.gz PKRPMURITHSGNF-MRXNPFEDSA-N -1 1 319.405 0.864 20 0 DCADMM CC[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736328257 598268712 /nfs/dbraw/zinc/26/87/12/598268712.db2.gz GYYREFBAWUMGPL-BDAKNGLRSA-N -1 1 310.383 0.975 20 0 DCADMM CC[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736328257 598268713 /nfs/dbraw/zinc/26/87/13/598268713.db2.gz GYYREFBAWUMGPL-BDAKNGLRSA-N -1 1 310.383 0.975 20 0 DCADMM O=S(=O)(NC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344029 598269408 /nfs/dbraw/zinc/26/94/08/598269408.db2.gz TYPUPGOSJQQZTQ-VIFPVBQESA-N -1 1 324.366 0.109 20 0 DCADMM O=S(=O)(NC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344029 598269409 /nfs/dbraw/zinc/26/94/09/598269409.db2.gz TYPUPGOSJQQZTQ-VIFPVBQESA-N -1 1 324.366 0.109 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC000738082263 598341376 /nfs/dbraw/zinc/34/13/76/598341376.db2.gz KKCCLJJTMHMYCV-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC000738082263 598341378 /nfs/dbraw/zinc/34/13/78/598341378.db2.gz KKCCLJJTMHMYCV-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM c1cnn(-c2cc(CNc3nccnc3-c3nnn[n-]3)ccn2)c1 ZINC000738447912 598343833 /nfs/dbraw/zinc/34/38/33/598343833.db2.gz LFGAJDSIUKEUEB-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cnn(-c2cc(CNc3nccnc3-c3nn[n-]n3)ccn2)c1 ZINC000738447912 598343834 /nfs/dbraw/zinc/34/38/34/598343834.db2.gz LFGAJDSIUKEUEB-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM Cc1cccc(C(=O)NCCNc2nccnc2-c2nnn[n-]2)c1 ZINC000737383481 598346978 /nfs/dbraw/zinc/34/69/78/598346978.db2.gz AIKVZBFJADDXFE-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1cccc(C(=O)NCCNc2nccnc2-c2nn[n-]n2)c1 ZINC000737383481 598346980 /nfs/dbraw/zinc/34/69/80/598346980.db2.gz AIKVZBFJADDXFE-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM c1csc([C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)n1 ZINC000738451680 598352399 /nfs/dbraw/zinc/35/23/99/598352399.db2.gz JDYRRPGPRBDXDS-MRVPVSSYSA-N -1 1 316.350 0.691 20 0 DCADMM c1csc([C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)n1 ZINC000738451680 598352401 /nfs/dbraw/zinc/35/24/01/598352401.db2.gz JDYRRPGPRBDXDS-MRVPVSSYSA-N -1 1 316.350 0.691 20 0 DCADMM c1ccc(NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)nc1 ZINC000738436716 598352451 /nfs/dbraw/zinc/35/24/51/598352451.db2.gz UZGWDSONWWQXQX-NSHDSACASA-N -1 1 323.364 0.990 20 0 DCADMM c1ccc(NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)nc1 ZINC000738436716 598352452 /nfs/dbraw/zinc/35/24/52/598352452.db2.gz UZGWDSONWWQXQX-NSHDSACASA-N -1 1 323.364 0.990 20 0 DCADMM CNC(=O)c1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000736876923 598385602 /nfs/dbraw/zinc/38/56/02/598385602.db2.gz FNFQDNJZWHVDFY-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM CNC(=O)c1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000736876923 598385603 /nfs/dbraw/zinc/38/56/03/598385603.db2.gz FNFQDNJZWHVDFY-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC(=O)C(C)C)c1 ZINC000736941088 598434458 /nfs/dbraw/zinc/43/44/58/598434458.db2.gz OIOYLEBZQUGPII-UHFFFAOYSA-N -1 1 305.294 0.040 20 0 DCADMM O=C(NCC1(CCO)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823166916 607361871 /nfs/dbraw/zinc/36/18/71/607361871.db2.gz STPZPASQEJRHSN-UHFFFAOYSA-N -1 1 302.338 0.544 20 0 DCADMM O=C(NCC1(CCO)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823166916 607361873 /nfs/dbraw/zinc/36/18/73/607361873.db2.gz STPZPASQEJRHSN-UHFFFAOYSA-N -1 1 302.338 0.544 20 0 DCADMM CCc1nnc2n1C[C@H](Nc1cccc(-c3nnn[n-]3)n1)CC2 ZINC000736710226 599421869 /nfs/dbraw/zinc/42/18/69/599421869.db2.gz GBDAYEHEUZWULG-SECBINFHSA-N -1 1 311.353 0.843 20 0 DCADMM CCc1nnc2n1C[C@H](Nc1cccc(-c3nn[n-]n3)n1)CC2 ZINC000736710226 599421870 /nfs/dbraw/zinc/42/18/70/599421870.db2.gz GBDAYEHEUZWULG-SECBINFHSA-N -1 1 311.353 0.843 20 0 DCADMM CCc1nc2n(n1)C[C@H](Nc1cccc(-c3nnn[n-]3)n1)CC2 ZINC000736705593 599431535 /nfs/dbraw/zinc/43/15/35/599431535.db2.gz LYPUFPUWAZQRQN-SECBINFHSA-N -1 1 311.353 0.843 20 0 DCADMM CCc1nc2n(n1)C[C@H](Nc1cccc(-c3nn[n-]n3)n1)CC2 ZINC000736705593 599431536 /nfs/dbraw/zinc/43/15/36/599431536.db2.gz LYPUFPUWAZQRQN-SECBINFHSA-N -1 1 311.353 0.843 20 0 DCADMM CC(C)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC000735875293 599566363 /nfs/dbraw/zinc/56/63/63/599566363.db2.gz LXDFNQFCSSJPNO-SNVBAGLBSA-N -1 1 315.337 0.001 20 0 DCADMM CC(C)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC000735875293 599566366 /nfs/dbraw/zinc/56/63/66/599566366.db2.gz LXDFNQFCSSJPNO-SNVBAGLBSA-N -1 1 315.337 0.001 20 0 DCADMM CCCOC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821127228 599662199 /nfs/dbraw/zinc/66/21/99/599662199.db2.gz DFXJXKRSJNSROE-MRVPVSSYSA-N -1 1 305.294 0.760 20 0 DCADMM CCCOC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821127228 599662200 /nfs/dbraw/zinc/66/22/00/599662200.db2.gz DFXJXKRSJNSROE-MRVPVSSYSA-N -1 1 305.294 0.760 20 0 DCADMM C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736760689 599712179 /nfs/dbraw/zinc/71/21/79/599712179.db2.gz DFXHSOKAFKUGSV-PWSUYJOCSA-N -1 1 319.361 0.909 20 0 DCADMM COc1cccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1OC ZINC000378732597 599778826 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DCADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC[C@@H]1CCS(=O)(=O)C1 ZINC000833828262 605604452 /nfs/dbraw/zinc/60/44/52/605604452.db2.gz COXNGJYNEKJZCG-IJLUTSLNSA-N -1 1 304.412 0.789 20 0 DCADMM COCCN1CCCN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CC1 ZINC000828992597 605668507 /nfs/dbraw/zinc/66/85/07/605668507.db2.gz QOPBXGKNQHPLEZ-ZDUSSCGKSA-N -1 1 315.414 0.849 20 0 DCADMM COCCN1CCC[C@@H](NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C1 ZINC000828989741 605705853 /nfs/dbraw/zinc/70/58/53/605705853.db2.gz BPWFLVUOTAKIRV-VXGBXAGGSA-N -1 1 315.414 0.896 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc(O)cc2O)CCN1CCC(=O)[O-] ZINC000833623848 605765039 /nfs/dbraw/zinc/76/50/39/605765039.db2.gz RNCUBQWLXREIBH-JTQLQIEISA-N -1 1 308.334 0.719 20 0 DCADMM Cn1ccnc1[C@](O)(CN[C@@H]1CCN(C(=O)[O-])C1)C(F)(F)F ZINC000831037461 605851386 /nfs/dbraw/zinc/85/13/86/605851386.db2.gz VQTJODOOEHLEGQ-LDYMZIIASA-N -1 1 322.287 0.512 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)NCc1cccnc1 ZINC000833827281 605880172 /nfs/dbraw/zinc/88/01/72/605880172.db2.gz AMTMUTJTYPPMKM-DGCLKSJQSA-N -1 1 306.366 0.676 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NCc1cccnc1 ZINC000833827281 605880175 /nfs/dbraw/zinc/88/01/75/605880175.db2.gz AMTMUTJTYPPMKM-DGCLKSJQSA-N -1 1 306.366 0.676 20 0 DCADMM O=C([O-])NC1(CC(=O)Nc2nc(SCCO)n[nH]2)CCC1 ZINC000834155449 605952047 /nfs/dbraw/zinc/95/20/47/605952047.db2.gz YDLUYCPTRLTJBI-UHFFFAOYSA-N -1 1 315.355 0.408 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCOC(C)(C)C2)n1 ZINC000822609996 606159560 /nfs/dbraw/zinc/15/95/60/606159560.db2.gz YNQUMNMJCJOXGS-UHFFFAOYSA-N -1 1 320.357 0.633 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCOC(C)(C)C2)n1 ZINC000822609996 606159562 /nfs/dbraw/zinc/15/95/62/606159562.db2.gz YNQUMNMJCJOXGS-UHFFFAOYSA-N -1 1 320.357 0.633 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(O)c2)n1 ZINC000822620211 606159820 /nfs/dbraw/zinc/15/98/20/606159820.db2.gz MAFOZFWUOVIUCO-UHFFFAOYSA-N -1 1 314.309 0.628 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(O)c2)n1 ZINC000822620211 606159821 /nfs/dbraw/zinc/15/98/21/606159821.db2.gz MAFOZFWUOVIUCO-UHFFFAOYSA-N -1 1 314.309 0.628 20 0 DCADMM Cn1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822689187 606162310 /nfs/dbraw/zinc/16/23/10/606162310.db2.gz HLZRRUHDUWQSHS-UHFFFAOYSA-N -1 1 301.314 0.260 20 0 DCADMM Cn1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000822689187 606162312 /nfs/dbraw/zinc/16/23/12/606162312.db2.gz HLZRRUHDUWQSHS-UHFFFAOYSA-N -1 1 301.314 0.260 20 0 DCADMM Cc1ccc(CCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)o1 ZINC000822235989 606162520 /nfs/dbraw/zinc/16/25/20/606162520.db2.gz FMSXMJULRKCHFP-UHFFFAOYSA-N -1 1 316.325 0.866 20 0 DCADMM Cc1ccc(CCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)o1 ZINC000822235989 606162522 /nfs/dbraw/zinc/16/25/22/606162522.db2.gz FMSXMJULRKCHFP-UHFFFAOYSA-N -1 1 316.325 0.866 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCSC2)n1 ZINC000822613988 606170623 /nfs/dbraw/zinc/17/06/23/606170623.db2.gz HLZSRRJNJKKFBK-SSDOTTSWSA-N -1 1 308.371 0.617 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCSC2)n1 ZINC000822613988 606170624 /nfs/dbraw/zinc/17/06/24/606170624.db2.gz HLZSRRJNJKKFBK-SSDOTTSWSA-N -1 1 308.371 0.617 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC(C)(C)O1 ZINC000820743064 606171737 /nfs/dbraw/zinc/17/17/37/606171737.db2.gz PZLGWUIVLAFTKS-MRVPVSSYSA-N -1 1 320.357 0.631 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC(C)(C)O1 ZINC000820743064 606171738 /nfs/dbraw/zinc/17/17/38/606171738.db2.gz PZLGWUIVLAFTKS-MRVPVSSYSA-N -1 1 320.357 0.631 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000821655322 606196844 /nfs/dbraw/zinc/19/68/44/606196844.db2.gz JFZNCXWZTUENHE-HTQZYQBOSA-N -1 1 319.325 0.265 20 0 DCADMM COC(=O)[C@H]1C[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821653401 606297566 /nfs/dbraw/zinc/29/75/66/606297566.db2.gz AJKOWLWBSQVHLK-SFYZADRCSA-N -1 1 303.278 0.320 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOc2ncccc21 ZINC000823478695 606366758 /nfs/dbraw/zinc/36/67/58/606366758.db2.gz PMTDLYAKSBOFNM-UHFFFAOYSA-N -1 1 309.289 0.696 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOc2ncccc21 ZINC000823478695 606366760 /nfs/dbraw/zinc/36/67/60/606366760.db2.gz PMTDLYAKSBOFNM-UHFFFAOYSA-N -1 1 309.289 0.696 20 0 DCADMM CC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC000820618460 606434624 /nfs/dbraw/zinc/43/46/24/606434624.db2.gz FCQBZFCESMSHSQ-UHFFFAOYSA-N -1 1 308.367 0.730 20 0 DCADMM CC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC000820618460 606434626 /nfs/dbraw/zinc/43/46/26/606434626.db2.gz FCQBZFCESMSHSQ-UHFFFAOYSA-N -1 1 308.367 0.730 20 0 DCADMM Cc1nsc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000822535353 606442534 /nfs/dbraw/zinc/44/25/34/606442534.db2.gz OGRJEDPFTSWOSV-UHFFFAOYSA-N -1 1 306.359 0.377 20 0 DCADMM Cc1nsc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000822535353 606442536 /nfs/dbraw/zinc/44/25/36/606442536.db2.gz OGRJEDPFTSWOSV-UHFFFAOYSA-N -1 1 306.359 0.377 20 0 DCADMM CN(CC(=O)NC1CC1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821592711 606495324 /nfs/dbraw/zinc/49/53/24/606495324.db2.gz QXKAKAJZOHVFEK-UHFFFAOYSA-N -1 1 306.351 0.279 20 0 DCADMM CN(CC(=O)NC1CC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821592711 606495326 /nfs/dbraw/zinc/49/53/26/606495326.db2.gz QXKAKAJZOHVFEK-UHFFFAOYSA-N -1 1 306.351 0.279 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cnc2ccccc2n1 ZINC000823290469 606533077 /nfs/dbraw/zinc/53/30/77/606533077.db2.gz XUVYKKOOSKDMJQ-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cnc2ccccc2n1 ZINC000823290469 606533079 /nfs/dbraw/zinc/53/30/79/606533079.db2.gz XUVYKKOOSKDMJQ-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM CCS(=O)(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821442712 606549152 /nfs/dbraw/zinc/54/91/52/606549152.db2.gz VHIRLGWFNSQWKX-UHFFFAOYSA-N -1 1 315.380 0.093 20 0 DCADMM CCS(=O)(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821442712 606549153 /nfs/dbraw/zinc/54/91/53/606549153.db2.gz VHIRLGWFNSQWKX-UHFFFAOYSA-N -1 1 315.380 0.093 20 0 DCADMM CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820966022 606553193 /nfs/dbraw/zinc/55/31/93/606553193.db2.gz BKCBLZFNLNDUOT-SSDOTTSWSA-N -1 1 306.351 0.279 20 0 DCADMM CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820966022 606553194 /nfs/dbraw/zinc/55/31/94/606553194.db2.gz BKCBLZFNLNDUOT-SSDOTTSWSA-N -1 1 306.351 0.279 20 0 DCADMM O=C(NCC[C@@H](O)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823181928 606567419 /nfs/dbraw/zinc/56/74/19/606567419.db2.gz FZLQIJFZYNXUDU-SSDOTTSWSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(NCC[C@@H](O)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823181928 606567420 /nfs/dbraw/zinc/56/74/20/606567420.db2.gz FZLQIJFZYNXUDU-SSDOTTSWSA-N -1 1 321.284 0.971 20 0 DCADMM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000822859252 606569910 /nfs/dbraw/zinc/56/99/10/606569910.db2.gz GCBKDTHTHHTVES-JGVFFNPUSA-N -1 1 320.378 0.702 20 0 DCADMM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000822859252 606569911 /nfs/dbraw/zinc/56/99/11/606569911.db2.gz GCBKDTHTHHTVES-JGVFFNPUSA-N -1 1 320.378 0.702 20 0 DCADMM COC[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821684735 606579664 /nfs/dbraw/zinc/57/96/64/606579664.db2.gz IZNVZIRHQRQKGU-MRVPVSSYSA-N -1 1 306.330 0.243 20 0 DCADMM COC[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821684735 606579665 /nfs/dbraw/zinc/57/96/65/606579665.db2.gz IZNVZIRHQRQKGU-MRVPVSSYSA-N -1 1 306.330 0.243 20 0 DCADMM CN(Cc1ccccn1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821615918 606597457 /nfs/dbraw/zinc/59/74/57/606597457.db2.gz UPAFMYAEZURPKG-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM CN(Cc1ccccn1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821615918 606597458 /nfs/dbraw/zinc/59/74/58/606597458.db2.gz UPAFMYAEZURPKG-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM Cn1cc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000822674624 606649657 /nfs/dbraw/zinc/64/96/57/606649657.db2.gz YCIQDVCCKSYOBG-NSCUHMNNSA-N -1 1 311.305 0.752 20 0 DCADMM Cn1cc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000822674624 606649658 /nfs/dbraw/zinc/64/96/58/606649658.db2.gz YCIQDVCCKSYOBG-NSCUHMNNSA-N -1 1 311.305 0.752 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)O1 ZINC000822860056 607118326 /nfs/dbraw/zinc/11/83/26/607118326.db2.gz MOPPALSRUWVQRA-POYBYMJQSA-N -1 1 323.744 0.360 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)O1 ZINC000822860056 607118328 /nfs/dbraw/zinc/11/83/28/607118328.db2.gz MOPPALSRUWVQRA-POYBYMJQSA-N -1 1 323.744 0.360 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc2c1CCCC2 ZINC000823136190 607206827 /nfs/dbraw/zinc/20/68/27/607206827.db2.gz NXWAODUGUCAXDP-UHFFFAOYSA-N -1 1 324.348 0.976 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nc(C2CC2)cs1 ZINC000823136103 607209803 /nfs/dbraw/zinc/20/98/03/607209803.db2.gz KEUNJGXMRAIONY-UHFFFAOYSA-N -1 1 317.338 0.431 20 0 DCADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C)c1 ZINC000821832095 607213417 /nfs/dbraw/zinc/21/34/17/607213417.db2.gz ZKNLNRHXCPACLR-UHFFFAOYSA-N -1 1 314.309 0.414 20 0 DCADMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCCC[C@@H]1C ZINC000821154080 607213537 /nfs/dbraw/zinc/21/35/37/607213537.db2.gz IWXDRDUVQHLSRN-QWRGUYRKSA-N -1 1 318.385 0.885 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1C1CCC1 ZINC000823122797 607213843 /nfs/dbraw/zinc/21/38/43/607213843.db2.gz IDPWZFRPKYUPIT-JTQLQIEISA-N -1 1 302.342 0.249 20 0 DCADMM Cc1cccc2c1CC[C@H]2NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822340632 607214735 /nfs/dbraw/zinc/21/47/35/607214735.db2.gz AISGRZKUUJPDRL-GFCCVEGCSA-N -1 1 324.348 0.570 20 0 DCADMM C[C@H]1CCC[C@@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820697387 607217601 /nfs/dbraw/zinc/21/76/01/607217601.db2.gz GQYIDFSEIQQVQS-QWRGUYRKSA-N -1 1 318.385 0.791 20 0 DCADMM CS[C@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821951428 607218606 /nfs/dbraw/zinc/21/86/06/607218606.db2.gz YLQZPLTYABMXML-IUCAKERBSA-N -1 1 322.398 0.249 20 0 DCADMM C[C@H]1CC(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H](C)C1 ZINC000820649011 607218640 /nfs/dbraw/zinc/21/86/40/607218640.db2.gz HHXRJTWRCKHMSZ-RKDXNWHRSA-N -1 1 304.358 0.399 20 0 DCADMM CC(C)CC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820068253 607223538 /nfs/dbraw/zinc/22/35/38/607223538.db2.gz PMUZCIOTOJKNKZ-UHFFFAOYSA-N -1 1 318.385 0.743 20 0 DCADMM Nc1ncncc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000822912148 607226165 /nfs/dbraw/zinc/22/61/65/607226165.db2.gz OHCABHVIAVMALK-UHFFFAOYSA-N -1 1 320.320 0.794 20 0 DCADMM Nc1ncncc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000822912148 607226166 /nfs/dbraw/zinc/22/61/66/607226166.db2.gz OHCABHVIAVMALK-UHFFFAOYSA-N -1 1 320.320 0.794 20 0 DCADMM COc1cccnc1N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826220849 607803880 /nfs/dbraw/zinc/80/38/80/607803880.db2.gz CODKHJINFPNMOQ-UHFFFAOYSA-N -1 1 311.305 0.942 20 0 DCADMM COc1cccnc1N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826220849 607803881 /nfs/dbraw/zinc/80/38/81/607803881.db2.gz CODKHJINFPNMOQ-UHFFFAOYSA-N -1 1 311.305 0.942 20 0 DCADMM C[C@H]1OCC[C@H]1S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825022658 607813980 /nfs/dbraw/zinc/81/39/80/607813980.db2.gz YUVQCHRCJSZFQO-LDYMZIIASA-N -1 1 309.351 0.354 20 0 DCADMM C[C@H]1OCC[C@H]1S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825022658 607813981 /nfs/dbraw/zinc/81/39/81/607813981.db2.gz YUVQCHRCJSZFQO-LDYMZIIASA-N -1 1 309.351 0.354 20 0 DCADMM Cn1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000826362119 607867743 /nfs/dbraw/zinc/86/77/43/607867743.db2.gz DUZMHAAMJUYIEW-UHFFFAOYSA-N -1 1 324.297 0.507 20 0 DCADMM Cn1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000826362119 607867744 /nfs/dbraw/zinc/86/77/44/607867744.db2.gz DUZMHAAMJUYIEW-UHFFFAOYSA-N -1 1 324.297 0.507 20 0 DCADMM c1cc(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)ccn1 ZINC000826516080 607987929 /nfs/dbraw/zinc/98/79/29/607987929.db2.gz WGVZLWTUDMXCHH-UHFFFAOYSA-N -1 1 323.364 0.374 20 0 DCADMM NC(=O)Nc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826393058 607988601 /nfs/dbraw/zinc/98/86/01/607988601.db2.gz ZSZFHAFMALNCGW-UHFFFAOYSA-N -1 1 311.309 0.759 20 0 DCADMM NC(=O)Nc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826393058 607988602 /nfs/dbraw/zinc/98/86/02/607988602.db2.gz ZSZFHAFMALNCGW-UHFFFAOYSA-N -1 1 311.309 0.759 20 0 DCADMM CNC(=O)c1cccc(CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826073585 607990475 /nfs/dbraw/zinc/99/04/75/607990475.db2.gz YBNIPAIRQPUNIG-UHFFFAOYSA-N -1 1 324.348 0.671 20 0 DCADMM CNC(=O)c1cccc(CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826073585 607990476 /nfs/dbraw/zinc/99/04/76/607990476.db2.gz YBNIPAIRQPUNIG-UHFFFAOYSA-N -1 1 324.348 0.671 20 0 DCADMM c1nn(-c2ncccn2)cc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826524955 607991052 /nfs/dbraw/zinc/99/10/52/607991052.db2.gz PSAZJVUCCSVGMF-UHFFFAOYSA-N -1 1 307.281 0.376 20 0 DCADMM c1nn(-c2ncccn2)cc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826524955 607991053 /nfs/dbraw/zinc/99/10/53/607991053.db2.gz PSAZJVUCCSVGMF-UHFFFAOYSA-N -1 1 307.281 0.376 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NC(=O)Nc1ccccc1 ZINC000826424759 608014555 /nfs/dbraw/zinc/01/45/55/608014555.db2.gz BHQANTWNNRCTES-UHFFFAOYSA-N -1 1 312.293 0.412 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NC(=O)Nc1ccccc1 ZINC000826424759 608014556 /nfs/dbraw/zinc/01/45/56/608014556.db2.gz BHQANTWNNRCTES-UHFFFAOYSA-N -1 1 312.293 0.412 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc[nH]1 ZINC000824640594 608025665 /nfs/dbraw/zinc/02/56/65/608025665.db2.gz LUYYCXGBSYYMFJ-MRVPVSSYSA-N -1 1 319.350 0.629 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc[nH]1 ZINC000824640594 608025666 /nfs/dbraw/zinc/02/56/66/608025666.db2.gz LUYYCXGBSYYMFJ-MRVPVSSYSA-N -1 1 319.350 0.629 20 0 DCADMM CCOC(=O)C[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825499995 608027137 /nfs/dbraw/zinc/02/71/37/608027137.db2.gz ZWIYVUHVQOZXPN-SECBINFHSA-N -1 1 318.337 0.581 20 0 DCADMM CCOC(=O)C[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825499995 608027138 /nfs/dbraw/zinc/02/71/38/608027138.db2.gz ZWIYVUHVQOZXPN-SECBINFHSA-N -1 1 318.337 0.581 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@H]1C1CC1 ZINC000826472192 608040871 /nfs/dbraw/zinc/04/08/71/608040871.db2.gz BGQBJDZFJQBPIV-LBPRGKRZSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@H]1C1CC1 ZINC000826472192 608040872 /nfs/dbraw/zinc/04/08/72/608040872.db2.gz BGQBJDZFJQBPIV-LBPRGKRZSA-N -1 1 300.322 0.513 20 0 DCADMM CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825486793 608139759 /nfs/dbraw/zinc/13/97/59/608139759.db2.gz YUPQPWQRSMKJBC-RKDXNWHRSA-N -1 1 318.337 0.579 20 0 DCADMM CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825486793 608139760 /nfs/dbraw/zinc/13/97/60/608139760.db2.gz YUPQPWQRSMKJBC-RKDXNWHRSA-N -1 1 318.337 0.579 20 0 DCADMM CS[C@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826224871 608211893 /nfs/dbraw/zinc/21/18/93/608211893.db2.gz NUAAEKDYGBUXEY-SSDOTTSWSA-N -1 1 324.414 0.315 20 0 DCADMM CS[C@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826224871 608211894 /nfs/dbraw/zinc/21/18/94/608211894.db2.gz NUAAEKDYGBUXEY-SSDOTTSWSA-N -1 1 324.414 0.315 20 0 DCADMM Cc1nccn1CCn1nc(C)c(C)c(-c2nnn[n-]2)c1=O ZINC000826334750 608395261 /nfs/dbraw/zinc/39/52/61/608395261.db2.gz IBZWPCFSUKHLCP-UHFFFAOYSA-N -1 1 300.326 0.245 20 0 DCADMM c1cn(-c2ncccc2CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000826525600 608396244 /nfs/dbraw/zinc/39/62/44/608396244.db2.gz RGWUFJUKFOXJIJ-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cn(-c2ncccc2CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000826525600 608396246 /nfs/dbraw/zinc/39/62/46/608396246.db2.gz RGWUFJUKFOXJIJ-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM CCN(CC)C(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000825399492 608413152 /nfs/dbraw/zinc/41/31/52/608413152.db2.gz VTUXEUIKIXBLNS-NSHDSACASA-N -1 1 316.369 0.494 20 0 DCADMM CCN(CC)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000825399492 608413153 /nfs/dbraw/zinc/41/31/53/608413153.db2.gz VTUXEUIKIXBLNS-NSHDSACASA-N -1 1 316.369 0.494 20 0 DCADMM COC(=O)[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826129501 608418186 /nfs/dbraw/zinc/41/81/86/608418186.db2.gz UAVAHFMEIXDHHP-VIFPVBQESA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826129501 608418187 /nfs/dbraw/zinc/41/81/87/608418187.db2.gz UAVAHFMEIXDHHP-VIFPVBQESA-N -1 1 315.337 0.436 20 0 DCADMM COCCN(Cc1cccnc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000826158812 608433449 /nfs/dbraw/zinc/43/34/49/608433449.db2.gz DMQFWIJWPHCAHU-UHFFFAOYSA-N -1 1 312.337 0.705 20 0 DCADMM COCCN(Cc1cccnc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000826158812 608433451 /nfs/dbraw/zinc/43/34/51/608433451.db2.gz DMQFWIJWPHCAHU-UHFFFAOYSA-N -1 1 312.337 0.705 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(C(=O)C2CC2)CC1 ZINC000826280777 608542716 /nfs/dbraw/zinc/54/27/16/608542716.db2.gz PAQYOGIYILRSDM-UHFFFAOYSA-N -1 1 313.365 0.629 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(C(=O)C2CC2)CC1 ZINC000826280777 608542717 /nfs/dbraw/zinc/54/27/17/608542717.db2.gz PAQYOGIYILRSDM-UHFFFAOYSA-N -1 1 313.365 0.629 20 0 DCADMM COC(=O)[C@@H](COC(C)C)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826103616 608846789 /nfs/dbraw/zinc/84/67/89/608846789.db2.gz IQIVUJKUIANPDY-LLVKDONJSA-N -1 1 323.353 0.858 20 0 DCADMM COC(=O)[C@@H](COC(C)C)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826103616 608846790 /nfs/dbraw/zinc/84/67/90/608846790.db2.gz IQIVUJKUIANPDY-LLVKDONJSA-N -1 1 323.353 0.858 20 0 DCADMM CC(C)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1=O ZINC000824300688 609175195 /nfs/dbraw/zinc/17/51/95/609175195.db2.gz JAQPUBQETIJLGT-UHFFFAOYSA-N -1 1 306.395 0.981 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1CCCO ZINC000826472867 609260606 /nfs/dbraw/zinc/26/06/06/609260606.db2.gz ZMHZRPZUOWDQBH-NSHDSACASA-N -1 1 302.338 0.639 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1CCCO ZINC000826472867 609260608 /nfs/dbraw/zinc/26/06/08/609260608.db2.gz ZMHZRPZUOWDQBH-NSHDSACASA-N -1 1 302.338 0.639 20 0 DCADMM O=S(=O)(Oc1ccc(F)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493536 609398256 /nfs/dbraw/zinc/39/82/56/609398256.db2.gz PLYUTXUFNZIUSJ-UHFFFAOYSA-N -1 1 322.281 0.564 20 0 DCADMM O=S(=O)(Oc1ccc(F)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826493536 609398257 /nfs/dbraw/zinc/39/82/57/609398257.db2.gz PLYUTXUFNZIUSJ-UHFFFAOYSA-N -1 1 322.281 0.564 20 0 DCADMM CC[C@@H](CSC)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825126668 609469595 /nfs/dbraw/zinc/46/95/95/609469595.db2.gz JMORAHGUGNFZPF-QMMMGPOBSA-N -1 1 310.383 0.963 20 0 DCADMM CC[C@@H](CSC)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825126668 609469597 /nfs/dbraw/zinc/46/95/97/609469597.db2.gz JMORAHGUGNFZPF-QMMMGPOBSA-N -1 1 310.383 0.963 20 0 DCADMM C[C@@H](C[S@](C)=O)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824449759 609598218 /nfs/dbraw/zinc/59/82/18/609598218.db2.gz PHSHORCZYRXPDA-ZCAPAMDOSA-N -1 1 317.378 0.989 20 0 DCADMM C[C@@H](C[S@](C)=O)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824449759 609598220 /nfs/dbraw/zinc/59/82/20/609598220.db2.gz PHSHORCZYRXPDA-ZCAPAMDOSA-N -1 1 317.378 0.989 20 0 DCADMM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2CCOC2)C1)c1ncccc1[O-] ZINC000978745875 660599040 /nfs/dbraw/zinc/59/90/40/660599040.db2.gz VULWEUOWPJUEHO-SDDRHHMPSA-N -1 1 319.361 0.448 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)C2CCCC2)CCO1 ZINC000979155526 660676863 /nfs/dbraw/zinc/67/68/63/660676863.db2.gz GGLBNOLUNIDYSY-CMPLNLGQSA-N -1 1 323.397 0.406 20 0 DCADMM O=C(NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1cnon1 ZINC000979170802 660678270 /nfs/dbraw/zinc/67/82/70/660678270.db2.gz ADBFQNVCZYIICE-DTORHVGOSA-N -1 1 317.305 0.109 20 0 DCADMM O=C(NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O)c1ccccc1O ZINC001027761076 660700514 /nfs/dbraw/zinc/70/05/14/660700514.db2.gz GQCQHAVPJLZGTM-YPMHNXCESA-N -1 1 303.362 0.475 20 0 DCADMM Cc1[nH]ccc1C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001027818143 660779422 /nfs/dbraw/zinc/77/94/22/660779422.db2.gz KBDWJFWDKUTXAZ-LLVKDONJSA-N -1 1 318.381 0.139 20 0 DCADMM CN(CC(=O)N1CCSC[C@@H](C(=O)[O-])C1)[C@@H]1CCSC1 ZINC000910146641 663849846 /nfs/dbraw/zinc/84/98/46/663849846.db2.gz FKOUVBYEILYMKP-WDEREUQCSA-N -1 1 318.464 0.700 20 0 DCADMM CN(C)S(=O)(=O)CCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984834 663964875 /nfs/dbraw/zinc/96/48/75/663964875.db2.gz ZERJVNUFSQWTHK-UHFFFAOYSA-N -1 1 308.306 0.890 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H](NCc3cnon3)C2)c1[O-] ZINC000981016657 661063889 /nfs/dbraw/zinc/06/38/89/661063889.db2.gz AXILQYCVZYVHML-NXEZZACHSA-N -1 1 320.353 0.638 20 0 DCADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C)o1 ZINC000921414307 665301772 /nfs/dbraw/zinc/30/17/72/665301772.db2.gz IVCFGFLOSAQNBA-VIFPVBQESA-N -1 1 302.352 0.439 20 0 DCADMM O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)[C@H]1CCC(=O)C1 ZINC000869545080 667666545 /nfs/dbraw/zinc/66/65/45/667666545.db2.gz QBXAVSIFJKJWJE-ZETCQYMHSA-N -1 1 309.240 0.537 20 0 DCADMM C[C@@H]1C[C@H]1CC(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000981881895 661241107 /nfs/dbraw/zinc/24/11/07/661241107.db2.gz FJRCDSLKJPYASW-NEPJUHHUSA-N -1 1 307.398 0.189 20 0 DCADMM CC(C)[C@@H](C)C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000982066656 661286110 /nfs/dbraw/zinc/28/61/10/661286110.db2.gz KXWPWMUJLGHRCQ-GFCCVEGCSA-N -1 1 309.414 0.435 20 0 DCADMM O=C(c1ccccc1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998423704 665453075 /nfs/dbraw/zinc/45/30/75/665453075.db2.gz SDUZOCSDKSSJAJ-LBPRGKRZSA-N -1 1 301.350 0.905 20 0 DCADMM O=C(NC1CN(C(=O)c2ncccc2[O-])C1)[C@@H]1CC[C@H](F)C1 ZINC000998517201 665471559 /nfs/dbraw/zinc/47/15/59/665471559.db2.gz JZQAYUQFTDMFJO-ZJUUUORDSA-N -1 1 307.325 0.866 20 0 DCADMM Cc1cc(C(=O)N=c2sccn2C)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000255111072 657535540 /nfs/dbraw/zinc/53/55/40/657535540.db2.gz ZNPLXLPHDOWMQY-UHFFFAOYSA-N -1 1 317.330 0.886 20 0 DCADMM Cc1ccc(C(=O)N[C@@H](C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)o1 ZINC000969253957 657631324 /nfs/dbraw/zinc/63/13/24/657631324.db2.gz NFUNKSPALZTYTO-JTQLQIEISA-N -1 1 319.365 0.260 20 0 DCADMM Cc1nnc([C@H](C)N2CC[C@H]2CNC(=O)c2ncccc2[O-])[nH]1 ZINC001038190227 657632311 /nfs/dbraw/zinc/63/23/11/657632311.db2.gz AXJAKEIHTHBKSP-ONGXEEELSA-N -1 1 316.365 0.779 20 0 DCADMM CCO[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001010472192 657693465 /nfs/dbraw/zinc/69/34/65/657693465.db2.gz FFCUDXPVTSEIKC-DGCLKSJQSA-N -1 1 319.361 0.497 20 0 DCADMM CCN1CC[C@H](N2CC[C@H]2CNC(=O)c2ncccc2[O-])C1=O 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/nfs/dbraw/zinc/63/42/28/1163634228.db2.gz SHVRCSPISAOXNP-ZETCQYMHSA-N -1 1 314.371 0.219 20 0 DCADMM CSCc1nnc(CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)[nH]1 ZINC001574096876 1163634233 /nfs/dbraw/zinc/63/42/33/1163634233.db2.gz SHVRCSPISAOXNP-ZETCQYMHSA-N -1 1 314.371 0.219 20 0 DCADMM C[C@@H]1C[C@H](N2CCC(C(=O)[O-])(S(C)(=O)=O)CC2)CCO1 ZINC001574105102 1163636415 /nfs/dbraw/zinc/63/64/15/1163636415.db2.gz MRIZBRJEWGARRU-GHMZBOCLSA-N -1 1 305.396 0.518 20 0 DCADMM Cc1[nH]c(C(=O)NCc2nnc([C@@H]3CCOC3)[nH]2)cc1C(=O)[O-] ZINC001574110349 1163638729 /nfs/dbraw/zinc/63/87/29/1163638729.db2.gz AMGIPKRLYNQUPL-MRVPVSSYSA-N -1 1 319.321 0.573 20 0 DCADMM Cc1[nH]c(C(=O)NCc2n[nH]c([C@@H]3CCOC3)n2)cc1C(=O)[O-] ZINC001574110349 1163638731 /nfs/dbraw/zinc/63/87/31/1163638731.db2.gz AMGIPKRLYNQUPL-MRVPVSSYSA-N -1 1 319.321 0.573 20 0 DCADMM Cn1ccc(N2CCC[C@H](N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)C2=O)n1 ZINC001574225028 1163669864 /nfs/dbraw/zinc/66/98/64/1163669864.db2.gz WDULQEXVYCTTNA-OWTLIXCDSA-N -1 1 318.377 0.568 20 0 DCADMM O=C([O-])[C@@H](CC1CC1)NCC(=O)NCC(=O)c1cccs1 ZINC001574300584 1163691469 /nfs/dbraw/zinc/69/14/69/1163691469.db2.gz PMZXVQVOWWSIAT-SNVBAGLBSA-N -1 1 310.375 0.890 20 0 DCADMM O=C([O-])[C@@H]1Cc2cc(F)ccc2N(C(=O)Cc2nnc[nH]2)C1 ZINC001574358417 1163703788 /nfs/dbraw/zinc/70/37/88/1163703788.db2.gz WECMVAMIMPKSMP-SECBINFHSA-N -1 1 304.281 0.776 20 0 DCADMM O=C([O-])N1C[C@H](CO)[C@H](NCc2ccc3c(c2)NC(=O)CO3)C1 ZINC001574430953 1163722772 /nfs/dbraw/zinc/72/27/72/1163722772.db2.gz PZRJNBFQVIPLRA-ZYHUDNBSSA-N -1 1 321.333 0.078 20 0 DCADMM C[C@H](CCNC(=O)C1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574595751 1163734792 /nfs/dbraw/zinc/73/47/92/1163734792.db2.gz GJAJDDVLGZYQQO-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CCNC(=O)C1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574595751 1163734794 /nfs/dbraw/zinc/73/47/94/1163734794.db2.gz GJAJDDVLGZYQQO-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CCNC(=O)CCCF)Nc1nccnc1-c1nnn[n-]1 ZINC001574606330 1163736275 /nfs/dbraw/zinc/73/62/75/1163736275.db2.gz RJVKYUWOSLNTPA-SECBINFHSA-N -1 1 322.348 0.713 20 0 DCADMM C[C@H](CCNC(=O)CCCF)Nc1nccnc1-c1nn[n-]n1 ZINC001574606330 1163736280 /nfs/dbraw/zinc/73/62/80/1163736280.db2.gz RJVKYUWOSLNTPA-SECBINFHSA-N -1 1 322.348 0.713 20 0 DCADMM C[C@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C)CC1 ZINC001574811323 1163757126 /nfs/dbraw/zinc/75/71/26/1163757126.db2.gz NZCLASLWIPGGNI-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C)CC1 ZINC001574811323 1163757135 /nfs/dbraw/zinc/75/71/35/1163757135.db2.gz NZCLASLWIPGGNI-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)[C@@H](C)C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574836998 1163766576 /nfs/dbraw/zinc/76/65/76/1163766576.db2.gz LXQJZZRAIRMDPY-NXEZZACHSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@@H](C)C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574836998 1163766581 /nfs/dbraw/zinc/76/65/81/1163766581.db2.gz LXQJZZRAIRMDPY-NXEZZACHSA-N -1 1 318.385 0.865 20 0 DCADMM C[C@H](CNC(=O)C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574863063 1163777273 /nfs/dbraw/zinc/77/72/73/1163777273.db2.gz WOLSFAYYJAIUHQ-MRVPVSSYSA-N -1 1 302.342 0.008 20 0 DCADMM C[C@@H]1CC[C@H](CC(=O)NCCCNC(=O)c2ncccc2[O-])O1 ZINC001575794931 1164154056 /nfs/dbraw/zinc/15/40/56/1164154056.db2.gz MNIHEUSSBKRBRN-VXGBXAGGSA-N -1 1 321.377 0.981 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576083180 1164234737 /nfs/dbraw/zinc/23/47/37/1164234737.db2.gz BHTOKAKQDFUROM-XKNYDFJKSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576083180 1164234748 /nfs/dbraw/zinc/23/47/48/1164234748.db2.gz BHTOKAKQDFUROM-XKNYDFJKSA-N -1 1 314.353 0.372 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576401496 1164325186 /nfs/dbraw/zinc/32/51/86/1164325186.db2.gz OPRVCWXHEDWVPU-KSXVILFYSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576401496 1164325192 /nfs/dbraw/zinc/32/51/92/1164325192.db2.gz OPRVCWXHEDWVPU-KSXVILFYSA-N -1 1 314.353 0.318 20 0 DCADMM CCC(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001576412781 1164333131 /nfs/dbraw/zinc/33/31/31/1164333131.db2.gz YPVOIFKOWRNVSP-JTQLQIEISA-N -1 1 316.369 0.138 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576441279 1164345295 /nfs/dbraw/zinc/34/52/95/1164345295.db2.gz WPHQTBPUPMQCPR-NXEZZACHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576441279 1164345303 /nfs/dbraw/zinc/34/53/03/1164345303.db2.gz WPHQTBPUPMQCPR-NXEZZACHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001576445215 1164348450 /nfs/dbraw/zinc/34/84/50/1164348450.db2.gz PZHWVVSZSVPNAD-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001576445215 1164348457 /nfs/dbraw/zinc/34/84/57/1164348457.db2.gz PZHWVVSZSVPNAD-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001576476092 1164358331 /nfs/dbraw/zinc/35/83/31/1164358331.db2.gz OJWADGNVRZDBEO-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001576476092 1164358336 /nfs/dbraw/zinc/35/83/36/1164358336.db2.gz OJWADGNVRZDBEO-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576477774 1164358806 /nfs/dbraw/zinc/35/88/06/1164358806.db2.gz PFPMGWDCKUTJTQ-NXEZZACHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576477774 1164358810 /nfs/dbraw/zinc/35/88/10/1164358810.db2.gz PFPMGWDCKUTJTQ-NXEZZACHSA-N -1 1 316.369 0.906 20 0 DCADMM CC[C@@H](C)C(=O)N(CC)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576562004 1164390442 /nfs/dbraw/zinc/39/04/42/1164390442.db2.gz IOHZDFCVAVKFOD-SNVBAGLBSA-N -1 1 318.385 0.385 20 0 DCADMM CC[C@H](C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576563940 1164393695 /nfs/dbraw/zinc/39/36/95/1164393695.db2.gz OUNXFYVOQAHJRG-VHSXEESVSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576563940 1164393700 /nfs/dbraw/zinc/39/37/00/1164393700.db2.gz OUNXFYVOQAHJRG-VHSXEESVSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576576994 1164402270 /nfs/dbraw/zinc/40/22/70/1164402270.db2.gz QRONUUOALLCRBT-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576576994 1164402275 /nfs/dbraw/zinc/40/22/75/1164402275.db2.gz QRONUUOALLCRBT-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CCC(CC)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576733803 1164446089 /nfs/dbraw/zinc/44/60/89/1164446089.db2.gz WSRNIYBCARLJLL-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCC(CC)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576733803 1164446093 /nfs/dbraw/zinc/44/60/93/1164446093.db2.gz WSRNIYBCARLJLL-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](CNC(=O)C(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576767192 1164457002 /nfs/dbraw/zinc/45/70/02/1164457002.db2.gz RAWBCNLIIQUXDI-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@H](CNC(=O)C(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576767192 1164457009 /nfs/dbraw/zinc/45/70/09/1164457009.db2.gz RAWBCNLIIQUXDI-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576778458 1164461299 /nfs/dbraw/zinc/46/12/99/1164461299.db2.gz VDLQGLLMZYJJLD-RKDXNWHRSA-N -1 1 322.348 0.133 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576778457 1164461596 /nfs/dbraw/zinc/46/15/96/1164461596.db2.gz VDLQGLLMZYJJLD-IUCAKERBSA-N -1 1 322.348 0.133 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576923566 1164534755 /nfs/dbraw/zinc/53/47/55/1164534755.db2.gz DIHPFMBZKLVQMY-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576923566 1164534764 /nfs/dbraw/zinc/53/47/64/1164534764.db2.gz DIHPFMBZKLVQMY-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576939278 1164544019 /nfs/dbraw/zinc/54/40/19/1164544019.db2.gz FCPHMEMFLIGFER-DTWKUNHWSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576939278 1164544026 /nfs/dbraw/zinc/54/40/26/1164544026.db2.gz FCPHMEMFLIGFER-DTWKUNHWSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576958592 1164557383 /nfs/dbraw/zinc/55/73/83/1164557383.db2.gz ZLYNXQWRUBGXRK-DTWKUNHWSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576958592 1164557392 /nfs/dbraw/zinc/55/73/92/1164557392.db2.gz ZLYNXQWRUBGXRK-DTWKUNHWSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576958591 1164557874 /nfs/dbraw/zinc/55/78/74/1164557874.db2.gz ZLYNXQWRUBGXRK-BDAKNGLRSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576958591 1164557880 /nfs/dbraw/zinc/55/78/80/1164557880.db2.gz ZLYNXQWRUBGXRK-BDAKNGLRSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@]1(O)CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001577125992 1164610897 /nfs/dbraw/zinc/61/08/97/1164610897.db2.gz CRSHCCQILHSTTP-CYBMUJFWSA-N -1 1 322.394 0.985 20 0 DCADMM CC[C@]1(O)CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001577125993 1164611275 /nfs/dbraw/zinc/61/12/75/1164611275.db2.gz CRSHCCQILHSTTP-ZDUSSCGKSA-N -1 1 322.394 0.985 20 0 DCADMM CC[C@H]1CN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C[C@@H]1O ZINC001577170061 1164619569 /nfs/dbraw/zinc/61/95/69/1164619569.db2.gz UJVGBYPNAOCIDB-WPRPVWTQSA-N -1 1 318.337 0.119 20 0 DCADMM CC/C=C(\C)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577183384 1164624587 /nfs/dbraw/zinc/62/45/87/1164624587.db2.gz ZOMBYTFFRUBCJF-CYNRKNSPSA-N -1 1 316.369 0.352 20 0 DCADMM CC/C=C(\C)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001577183284 1164624764 /nfs/dbraw/zinc/62/47/64/1164624764.db2.gz YKYWSMHDUFCCSS-BJMVGYQFSA-N -1 1 316.369 0.565 20 0 DCADMM CC/C=C(\C)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001577183284 1164624771 /nfs/dbraw/zinc/62/47/71/1164624771.db2.gz YKYWSMHDUFCCSS-BJMVGYQFSA-N -1 1 316.369 0.565 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001577194343 1164629264 /nfs/dbraw/zinc/62/92/64/1164629264.db2.gz KHQSJZYLHOLHJE-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001577194343 1164629271 /nfs/dbraw/zinc/62/92/71/1164629271.db2.gz KHQSJZYLHOLHJE-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577197313 1164630873 /nfs/dbraw/zinc/63/08/73/1164630873.db2.gz FMMYNHNSBSBMCO-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577197313 1164630876 /nfs/dbraw/zinc/63/08/76/1164630876.db2.gz FMMYNHNSBSBMCO-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CN(CCCNC(=O)c1ccnnc1)C(=O)c1ncccc1[O-] ZINC001577405736 1164685778 /nfs/dbraw/zinc/68/57/78/1164685778.db2.gz IUMAMZAQHKWZCE-UHFFFAOYSA-N -1 1 315.333 0.469 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001577426635 1164689502 /nfs/dbraw/zinc/68/95/02/1164689502.db2.gz OYLLMPGSENJDAS-MGCOHNPYSA-N -1 1 316.369 0.906 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001577426635 1164689512 /nfs/dbraw/zinc/68/95/12/1164689512.db2.gz OYLLMPGSENJDAS-MGCOHNPYSA-N -1 1 316.369 0.906 20 0 DCADMM CCCC[C@H](NC(N)=O)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001577491198 1164703050 /nfs/dbraw/zinc/70/30/50/1164703050.db2.gz ILIYJJNWQTUKEE-ZETCQYMHSA-N -1 1 321.345 0.064 20 0 DCADMM CCN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)C(C)(C)F ZINC001578121300 1164927695 /nfs/dbraw/zinc/92/76/95/1164927695.db2.gz RIEYBPYZRYKHHX-UHFFFAOYSA-N -1 1 322.348 0.665 20 0 DCADMM CCN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)C(C)(C)F ZINC001578121300 1164927706 /nfs/dbraw/zinc/92/77/06/1164927706.db2.gz RIEYBPYZRYKHHX-UHFFFAOYSA-N -1 1 322.348 0.665 20 0 DCADMM CCN(CCNc1nccnc1-c1nnn[n-]1)C(=O)C1CCC1 ZINC001578165514 1164941602 /nfs/dbraw/zinc/94/16/02/1164941602.db2.gz LHQCYVZHMLTSAO-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1nccnc1-c1nn[n-]n1)C(=O)C1CCC1 ZINC001578165514 1164941608 /nfs/dbraw/zinc/94/16/08/1164941608.db2.gz LHQCYVZHMLTSAO-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1nccnc1-c1nnn[n-]1)C(=O)CCCF ZINC001578165736 1164941765 /nfs/dbraw/zinc/94/17/65/1164941765.db2.gz UHQUBEHXRIFLBN-UHFFFAOYSA-N -1 1 322.348 0.667 20 0 DCADMM CCN(CCNc1nccnc1-c1nn[n-]n1)C(=O)CCCF ZINC001578165736 1164941770 /nfs/dbraw/zinc/94/17/70/1164941770.db2.gz UHQUBEHXRIFLBN-UHFFFAOYSA-N -1 1 322.348 0.667 20 0 DCADMM CCOC(OCC)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001578319505 1164973711 /nfs/dbraw/zinc/97/37/11/1164973711.db2.gz QLIXXFLTDVSUJY-VIFPVBQESA-N -1 1 320.353 0.779 20 0 DCADMM CCOC(OCC)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001578319505 1164973713 /nfs/dbraw/zinc/97/37/13/1164973713.db2.gz QLIXXFLTDVSUJY-VIFPVBQESA-N -1 1 320.353 0.779 20 0 DCADMM CCS(=O)(=O)CCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001578414561 1165004275 /nfs/dbraw/zinc/00/42/75/1165004275.db2.gz LRBYLIZFFWNMBB-UHFFFAOYSA-N -1 1 313.339 0.014 20 0 DCADMM CCS(=O)(=O)CCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001578414561 1165004277 /nfs/dbraw/zinc/00/42/77/1165004277.db2.gz LRBYLIZFFWNMBB-UHFFFAOYSA-N -1 1 313.339 0.014 20 0 DCADMM CN(C(=O)COc1cccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578879728 1165148431 /nfs/dbraw/zinc/14/84/31/1165148431.db2.gz PPELQOZIXLNKQG-UHFFFAOYSA-N -1 1 311.305 0.699 20 0 DCADMM CN(C)c1ncncc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579000828 1165185507 /nfs/dbraw/zinc/18/55/07/1165185507.db2.gz DVKOMHVNXTUTCY-UHFFFAOYSA-N -1 1 300.282 0.568 20 0 DCADMM CN(C)c1ncncc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579000828 1165185514 /nfs/dbraw/zinc/18/55/14/1165185514.db2.gz DVKOMHVNXTUTCY-UHFFFAOYSA-N -1 1 300.282 0.568 20 0 DCADMM CN(C)c1ccnc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001579000067 1165185856 /nfs/dbraw/zinc/18/58/56/1165185856.db2.gz OOPVMWVOFZHMLF-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(C)c1ccnc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001579000067 1165185858 /nfs/dbraw/zinc/18/58/58/1165185858.db2.gz OOPVMWVOFZHMLF-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)CC1CCC1 ZINC001579210794 1165239506 /nfs/dbraw/zinc/23/95/06/1165239506.db2.gz IGWQQOJZGWETOY-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)CC1CCC1 ZINC001579210794 1165239511 /nfs/dbraw/zinc/23/95/11/1165239511.db2.gz IGWQQOJZGWETOY-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)c1ccc[nH]1 ZINC001579225947 1165244191 /nfs/dbraw/zinc/24/41/91/1165244191.db2.gz WFHKLASXXDIPCL-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)c1ccc[nH]1 ZINC001579225947 1165244200 /nfs/dbraw/zinc/24/42/00/1165244200.db2.gz WFHKLASXXDIPCL-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN1C(=O)c2ccccc2[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001579312000 1165269710 /nfs/dbraw/zinc/26/97/10/1165269710.db2.gz PCYPIMCNTOVOLF-GFCCVEGCSA-N -1 1 322.332 0.896 20 0 DCADMM CN1C(=O)c2ccccc2[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001579312000 1165269718 /nfs/dbraw/zinc/26/97/18/1165269718.db2.gz PCYPIMCNTOVOLF-GFCCVEGCSA-N -1 1 322.332 0.896 20 0 DCADMM CNC(=O)CCCC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001579394205 1165297196 /nfs/dbraw/zinc/29/71/96/1165297196.db2.gz QHKSKDYDGYOFQL-UHFFFAOYSA-N -1 1 319.325 0.125 20 0 DCADMM CNC(=O)N[C@H]1CCC[N@H+](Cc2cncc(-c3nn[nH]n3)c2)C1 ZINC001579401533 1165299585 /nfs/dbraw/zinc/29/95/85/1165299585.db2.gz RGHMXNYJAJNORF-LBPRGKRZSA-N -1 1 316.369 0.155 20 0 DCADMM CNC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(-c3nn[nH]n3)c2)C1 ZINC001579401533 1165299590 /nfs/dbraw/zinc/29/95/90/1165299590.db2.gz RGHMXNYJAJNORF-LBPRGKRZSA-N -1 1 316.369 0.155 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001579472307 1165322868 /nfs/dbraw/zinc/32/28/68/1165322868.db2.gz XFLQMMFOIPMTHA-RKDXNWHRSA-N -1 1 315.337 0.755 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001579472307 1165322875 /nfs/dbraw/zinc/32/28/75/1165322875.db2.gz XFLQMMFOIPMTHA-RKDXNWHRSA-N -1 1 315.337 0.755 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2cncs2)c1 ZINC001579477605 1165327184 /nfs/dbraw/zinc/32/71/84/1165327184.db2.gz UVNQPXGNHWOKQJ-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM COC(=O)c1cnc(NCc2nc(-c3nnn[n-]3)cs2)nc1 ZINC001579492027 1165330046 /nfs/dbraw/zinc/33/00/46/1165330046.db2.gz UBPUDKMKXUIZMI-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1cnc(NCc2nc(-c3nn[n-]n3)cs2)nc1 ZINC001579492027 1165330053 /nfs/dbraw/zinc/33/00/53/1165330053.db2.gz UBPUDKMKXUIZMI-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(C)(C)CN(C)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001579534416 1165341178 /nfs/dbraw/zinc/34/11/78/1165341178.db2.gz SGVZEBBPUHTAKJ-UHFFFAOYSA-N -1 1 320.353 0.773 20 0 DCADMM COCc1cccc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001579833177 1165406655 /nfs/dbraw/zinc/40/66/55/1165406655.db2.gz NMMZXNBJEZMEKL-UHFFFAOYSA-N -1 1 313.321 0.917 20 0 DCADMM COCc1cccc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001579833177 1165406657 /nfs/dbraw/zinc/40/66/57/1165406657.db2.gz NMMZXNBJEZMEKL-UHFFFAOYSA-N -1 1 313.321 0.917 20 0 DCADMM CO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001579849882 1165411848 /nfs/dbraw/zinc/41/18/48/1165411848.db2.gz BOBVPCIPJORJFD-BXKDBHETSA-N -1 1 302.338 0.949 20 0 DCADMM CO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001579849882 1165411853 /nfs/dbraw/zinc/41/18/53/1165411853.db2.gz BOBVPCIPJORJFD-BXKDBHETSA-N -1 1 302.338 0.949 20 0 DCADMM COc1cc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)on1 ZINC001579929330 1165439684 /nfs/dbraw/zinc/43/96/84/1165439684.db2.gz FREQCYZYGBSDDO-UHFFFAOYSA-N -1 1 314.305 0.562 20 0 DCADMM C[S@@](=O)c1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001580172914 1165527764 /nfs/dbraw/zinc/52/77/64/1165527764.db2.gz RCVQRNUHDVMCAX-JOCHJYFZSA-N -1 1 317.334 0.580 20 0 DCADMM C[S@@](=O)c1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001580172914 1165527767 /nfs/dbraw/zinc/52/77/67/1165527767.db2.gz RCVQRNUHDVMCAX-JOCHJYFZSA-N -1 1 317.334 0.580 20 0 DCADMM C[S@@](=O)Cc1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001580172862 1165528585 /nfs/dbraw/zinc/52/85/85/1165528585.db2.gz OXENIRVHGDRUPU-JOCHJYFZSA-N -1 1 315.362 0.701 20 0 DCADMM CS[C@H](C)C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001580189783 1165531541 /nfs/dbraw/zinc/53/15/41/1165531541.db2.gz MHXBZAAZHUDCRM-MRVPVSSYSA-N -1 1 322.398 0.326 20 0 DCADMM CS[C@H](C)C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001580189783 1165531544 /nfs/dbraw/zinc/53/15/44/1165531544.db2.gz MHXBZAAZHUDCRM-MRVPVSSYSA-N -1 1 322.398 0.326 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1CCC1 ZINC001580285472 1165558228 /nfs/dbraw/zinc/55/82/28/1165558228.db2.gz YIEGGZAXQYZDQS-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1CCC1 ZINC001580285472 1165558236 /nfs/dbraw/zinc/55/82/36/1165558236.db2.gz YIEGGZAXQYZDQS-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc[nH]c1 ZINC001580302729 1165563443 /nfs/dbraw/zinc/56/34/43/1165563443.db2.gz HRLJZXZLLLHBRG-QMMMGPOBSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc[nH]c1 ZINC001580302729 1165563449 /nfs/dbraw/zinc/56/34/49/1165563449.db2.gz HRLJZXZLLLHBRG-QMMMGPOBSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001580364030 1165585936 /nfs/dbraw/zinc/58/59/36/1165585936.db2.gz SAALNNFHKJMULX-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001580364030 1165585945 /nfs/dbraw/zinc/58/59/45/1165585945.db2.gz SAALNNFHKJMULX-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](C)c1ncon1 ZINC001580604236 1165652465 /nfs/dbraw/zinc/65/24/65/1165652465.db2.gz ZYAQJYZMPQALLE-LURJTMIESA-N -1 1 316.281 0.150 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC[C@H](O)C1CC1 ZINC001580605865 1165653879 /nfs/dbraw/zinc/65/38/79/1165653879.db2.gz NCZYWDAYTPSBGT-JTQLQIEISA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(NC(=O)Cn2cc(C)cc(-c3nn[n-]n3)c2=O)on1 ZINC001580608482 1165656273 /nfs/dbraw/zinc/65/62/73/1165656273.db2.gz CPNFTQLCKOCWOB-UHFFFAOYSA-N -1 1 315.293 0.272 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CN(C)C(=O)C2CC2)n1 ZINC001580690987 1165688129 /nfs/dbraw/zinc/68/81/29/1165688129.db2.gz AWEDLNBGXLRWFS-SECBINFHSA-N -1 1 316.369 0.634 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CN(C)C(=O)C2CC2)n1 ZINC001580690987 1165688134 /nfs/dbraw/zinc/68/81/34/1165688134.db2.gz AWEDLNBGXLRWFS-SECBINFHSA-N -1 1 316.369 0.634 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)C3CC3)C2)n1 ZINC001580710673 1165693615 /nfs/dbraw/zinc/69/36/15/1165693615.db2.gz JUZPCKQBUTWQTE-SNVBAGLBSA-N -1 1 314.353 0.388 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C3CC3)C2)n1 ZINC001580710673 1165693618 /nfs/dbraw/zinc/69/36/18/1165693618.db2.gz JUZPCKQBUTWQTE-SNVBAGLBSA-N -1 1 314.353 0.388 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)CCCF)n1 ZINC001580746800 1165709341 /nfs/dbraw/zinc/70/93/41/1165709341.db2.gz NCUPFLKERXTQQU-UHFFFAOYSA-N -1 1 308.321 0.243 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)CCCF)n1 ZINC001580746800 1165709347 /nfs/dbraw/zinc/70/93/47/1165709347.db2.gz NCUPFLKERXTQQU-UHFFFAOYSA-N -1 1 308.321 0.243 20 0 DCADMM Cc1cc(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)no1 ZINC001580925737 1165758979 /nfs/dbraw/zinc/75/89/79/1165758979.db2.gz OYDYXTODSZNVPK-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1cc(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)no1 ZINC001580925737 1165758985 /nfs/dbraw/zinc/75/89/85/1165758985.db2.gz OYDYXTODSZNVPK-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001581199863 1165794651 /nfs/dbraw/zinc/79/46/51/1165794651.db2.gz VSYRZKAGPQCHIG-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1ccc(CCNC(=O)c2cccc(-c3nnn[n-]3)n2)nc1 ZINC001581193327 1165795133 /nfs/dbraw/zinc/79/51/33/1165795133.db2.gz AKLIZIRSBAFWBJ-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1ccc(CCNC(=O)c2cccc(-c3nn[n-]n3)n2)nc1 ZINC001581193327 1165795138 /nfs/dbraw/zinc/79/51/38/1165795138.db2.gz AKLIZIRSBAFWBJ-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c(=O)[nH]1 ZINC001581208377 1165798128 /nfs/dbraw/zinc/79/81/28/1165798128.db2.gz VTOKOKHAOKSLFR-UHFFFAOYSA-N -1 1 311.305 0.852 20 0 DCADMM Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c(=O)[nH]1 ZINC001581208377 1165798141 /nfs/dbraw/zinc/79/81/41/1165798141.db2.gz VTOKOKHAOKSLFR-UHFFFAOYSA-N -1 1 311.305 0.852 20 0 DCADMM Cc1ccncc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001581290871 1165811215 /nfs/dbraw/zinc/81/12/15/1165811215.db2.gz MWLOELPMPSLMSU-UHFFFAOYSA-N -1 1 307.291 0.931 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(C)(C)O[C@@H]3COC[C@H]32)n1 ZINC001581411281 1165823610 /nfs/dbraw/zinc/82/36/10/1165823610.db2.gz SYQBVIHEYFWIHC-GHMZBOCLSA-N -1 1 317.353 0.348 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(C)(C)O[C@@H]3COC[C@H]32)n1 ZINC001581411281 1165823617 /nfs/dbraw/zinc/82/36/17/1165823617.db2.gz SYQBVIHEYFWIHC-GHMZBOCLSA-N -1 1 317.353 0.348 20 0 DCADMM Cc1nn(Cc2nc(-c3nnn[n-]3)cs2)c(=O)c(CO)c1C ZINC001581603998 1165849306 /nfs/dbraw/zinc/84/93/06/1165849306.db2.gz RCRYCVITBCTBNI-UHFFFAOYSA-N -1 1 319.350 0.037 20 0 DCADMM Cc1nn(Cc2nc(-c3nn[n-]n3)cs2)c(=O)c(CO)c1C ZINC001581603998 1165849312 /nfs/dbraw/zinc/84/93/12/1165849312.db2.gz RCRYCVITBCTBNI-UHFFFAOYSA-N -1 1 319.350 0.037 20 0 DCADMM Cc1noc([C@H](C)NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001581625388 1165851796 /nfs/dbraw/zinc/85/17/96/1165851796.db2.gz XZQHQEOHRULOBV-LURJTMIESA-N -1 1 315.297 0.836 20 0 DCADMM Cc1noc([C@H](C)NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001581625388 1165851804 /nfs/dbraw/zinc/85/18/04/1165851804.db2.gz XZQHQEOHRULOBV-LURJTMIESA-N -1 1 315.297 0.836 20 0 DCADMM Cc1nsc(N2CC[C@H](NC(=O)C3CC3)C2)c1-c1nn[n-]n1 ZINC001581669844 1165857583 /nfs/dbraw/zinc/85/75/83/1165857583.db2.gz SDWOFLKATFSRMX-VIFPVBQESA-N -1 1 319.394 0.737 20 0 DCADMM Cc1nsc(NCc2cn(C)c(=O)[nH]c2=O)c1-c1nn[n-]n1 ZINC001581721524 1165861481 /nfs/dbraw/zinc/86/14/81/1165861481.db2.gz QPNVBJUUOBSBHS-UHFFFAOYSA-N -1 1 320.338 0.043 20 0 DCADMM Cc1oc(NC(=O)CN2NC(=O)C[C@H]2C)c(-c2nn[n-]n2)c1C ZINC001581730035 1165861744 /nfs/dbraw/zinc/86/17/44/1165861744.db2.gz YYRVNAVMRQMXGE-ZCFIWIBFSA-N -1 1 319.325 0.140 20 0 DCADMM Cn1c(=O)ccc2ccc(Nc3ccnc(-c4nn[n-]n4)n3)cc21 ZINC001581748569 1165864795 /nfs/dbraw/zinc/86/47/95/1165864795.db2.gz JHZPAKMQCHCXNF-UHFFFAOYSA-N -1 1 320.316 0.674 20 0 DCADMM Cn1c(=O)[nH]c(SCc2ccccc2)c(-c2nn[n-]n2)c1=O ZINC001581748504 1165865680 /nfs/dbraw/zinc/86/56/80/1165865680.db2.gz FTSSKSOOEJOIEJ-UHFFFAOYSA-N -1 1 316.346 0.546 20 0 DCADMM Cn1ccc(=O)c(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001581777088 1165875096 /nfs/dbraw/zinc/87/50/96/1165875096.db2.gz LHFJATIUMMCBQO-UHFFFAOYSA-N -1 1 316.346 0.557 20 0 DCADMM Cn1ncc(Cl)c1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581834109 1165886222 /nfs/dbraw/zinc/88/62/22/1165886222.db2.gz SSCHQAPNQJTZIC-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1ncc(Cl)c1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581834109 1165886225 /nfs/dbraw/zinc/88/62/25/1165886225.db2.gz SSCHQAPNQJTZIC-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM NC(=O)CC1(NC(=O)c2ccc(-c3nnn[n-]3)o2)CCCCC1 ZINC001581889706 1165907303 /nfs/dbraw/zinc/90/73/03/1165907303.db2.gz UCKXHXHBHQZHNC-UHFFFAOYSA-N -1 1 318.337 0.768 20 0 DCADMM NC(=O)CC1(NC(=O)c2ccc(-c3nn[n-]n3)o2)CCCCC1 ZINC001581889706 1165907308 /nfs/dbraw/zinc/90/73/08/1165907308.db2.gz UCKXHXHBHQZHNC-UHFFFAOYSA-N -1 1 318.337 0.768 20 0 DCADMM Nc1ccc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001581909614 1165908792 /nfs/dbraw/zinc/90/87/92/1165908792.db2.gz MJPIUBUBDRQNAV-UHFFFAOYSA-N -1 1 311.309 0.561 20 0 DCADMM Nc1nnc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001581911479 1165913374 /nfs/dbraw/zinc/91/33/74/1165913374.db2.gz UTEUWMJSTQULGV-ZETCQYMHSA-N -1 1 314.313 0.006 20 0 DCADMM Nc1nnc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001581911479 1165913377 /nfs/dbraw/zinc/91/33/77/1165913377.db2.gz UTEUWMJSTQULGV-ZETCQYMHSA-N -1 1 314.313 0.006 20 0 DCADMM Nc1nnc([C@@H]2CCCN(c3ccnc(-c4nnn[n-]4)c3)C2)o1 ZINC001581911558 1165913663 /nfs/dbraw/zinc/91/36/63/1165913663.db2.gz YNOSWILVPIJXIX-MRVPVSSYSA-N -1 1 313.325 0.611 20 0 DCADMM Nc1nnc([C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)c3)C2)o1 ZINC001581911558 1165913667 /nfs/dbraw/zinc/91/36/67/1165913667.db2.gz YNOSWILVPIJXIX-MRVPVSSYSA-N -1 1 313.325 0.611 20 0 DCADMM O=C(CCCF)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001582042450 1165942122 /nfs/dbraw/zinc/94/21/22/1165942122.db2.gz MMIVGFUTWBJISY-UHFFFAOYSA-N -1 1 320.332 0.055 20 0 DCADMM O=C(CCCF)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001582042450 1165942124 /nfs/dbraw/zinc/94/21/24/1165942124.db2.gz MMIVGFUTWBJISY-UHFFFAOYSA-N -1 1 320.332 0.055 20 0 DCADMM O=C(CN1CCCCCCC1=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582102703 1165956212 /nfs/dbraw/zinc/95/62/12/1165956212.db2.gz IRZFTAFEWSIOCI-UHFFFAOYSA-N -1 1 318.341 0.321 20 0 DCADMM O=C(CSCc1cscn1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582133126 1165964898 /nfs/dbraw/zinc/96/48/98/1165964898.db2.gz RNRSWJRUUPPRDE-UHFFFAOYSA-N -1 1 322.379 0.918 20 0 DCADMM O=C(CSCc1cscn1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582133126 1165964904 /nfs/dbraw/zinc/96/49/04/1165964904.db2.gz RNRSWJRUUPPRDE-UHFFFAOYSA-N -1 1 322.379 0.918 20 0 DCADMM O=C(Cc1ncccc1F)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582185092 1165978542 /nfs/dbraw/zinc/97/85/42/1165978542.db2.gz JHEXFWBOWUQQFC-UHFFFAOYSA-N -1 1 313.296 0.655 20 0 DCADMM O=C(Cc1ncccc1F)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582185092 1165978546 /nfs/dbraw/zinc/97/85/46/1165978546.db2.gz JHEXFWBOWUQQFC-UHFFFAOYSA-N -1 1 313.296 0.655 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)[C@H]1Cc2ccccc21 ZINC001582198243 1165982336 /nfs/dbraw/zinc/98/23/36/1165982336.db2.gz RVRLVGMUERIFOK-NSHDSACASA-N -1 1 308.301 0.332 20 0 DCADMM O=C(NCCCNc1cncc(-c2nnn[n-]2)n1)[C@@H]1CC1(F)F ZINC001582507547 1166029256 /nfs/dbraw/zinc/02/92/56/1166029256.db2.gz PUYQPZSQJQKOBH-ZETCQYMHSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCCNc1cncc(-c2nn[n-]n2)n1)[C@@H]1CC1(F)F ZINC001582507547 1166029263 /nfs/dbraw/zinc/02/92/63/1166029263.db2.gz PUYQPZSQJQKOBH-ZETCQYMHSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCc1cn[nH]c1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001582527119 1166033353 /nfs/dbraw/zinc/03/33/53/1166033353.db2.gz PNXARLJVUFAGFN-UHFFFAOYSA-N -1 1 319.354 0.088 20 0 DCADMM O=C(NCCc1cn[nH]c1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001582527119 1166033357 /nfs/dbraw/zinc/03/33/57/1166033357.db2.gz PNXARLJVUFAGFN-UHFFFAOYSA-N -1 1 319.354 0.088 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cnc2n1CCCC2 ZINC001582554444 1166041133 /nfs/dbraw/zinc/04/11/33/1166041133.db2.gz JMRSXJIRJXSKEI-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cnc2n1CCCC2 ZINC001582554444 1166041146 /nfs/dbraw/zinc/04/11/46/1166041146.db2.gz JMRSXJIRJXSKEI-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NCc1cccnn1 ZINC001582554547 1166041235 /nfs/dbraw/zinc/04/12/35/1166041235.db2.gz JHRSHPHAMUBXLO-UHFFFAOYSA-N -1 1 317.338 0.113 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NCc1cccnn1 ZINC001582554547 1166041241 /nfs/dbraw/zinc/04/12/41/1166041241.db2.gz JHRSHPHAMUBXLO-UHFFFAOYSA-N -1 1 317.338 0.113 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1coc2c1C(=O)CCC2 ZINC001582649693 1166062309 /nfs/dbraw/zinc/06/23/09/1166062309.db2.gz CNTFHLPRZRUKHP-UHFFFAOYSA-N -1 1 313.277 0.954 20 0 DCADMM O=C(Nc1ncnn1-c1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001582654964 1166062397 /nfs/dbraw/zinc/06/23/97/1166062397.db2.gz UATCZVOBRKAUNZ-UHFFFAOYSA-N -1 1 322.288 0.715 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001582708270 1166068850 /nfs/dbraw/zinc/06/88/50/1166068850.db2.gz IMCWCYPYBZHBDU-OUAUKWLOSA-N -1 1 314.349 0.495 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001582708270 1166068855 /nfs/dbraw/zinc/06/88/55/1166068855.db2.gz IMCWCYPYBZHBDU-OUAUKWLOSA-N -1 1 314.349 0.495 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001582743832 1166072851 /nfs/dbraw/zinc/07/28/51/1166072851.db2.gz JNTHRYYRTUBVDK-IINYFYTJSA-N -1 1 303.322 0.694 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001582743832 1166072858 /nfs/dbraw/zinc/07/28/58/1166072858.db2.gz JNTHRYYRTUBVDK-IINYFYTJSA-N -1 1 303.322 0.694 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCN2C(=O)CC[C@H]2C1 ZINC001582745346 1166074225 /nfs/dbraw/zinc/07/42/25/1166074225.db2.gz ZVHRBQODMXHJDV-VIFPVBQESA-N -1 1 318.362 0.375 20 0 DCADMM O=C1OC[C@@H]2CN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)C[C@H]12 ZINC001582789762 1166081746 /nfs/dbraw/zinc/08/17/46/1166081746.db2.gz ACZNODSQLPTNPA-IUCAKERBSA-N -1 1 313.321 0.143 20 0 DCADMM O=C1OC[C@@H]2CN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)C[C@H]12 ZINC001582789762 1166081754 /nfs/dbraw/zinc/08/17/54/1166081754.db2.gz ACZNODSQLPTNPA-IUCAKERBSA-N -1 1 313.321 0.143 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1cc(Br)no1 ZINC001582807338 1166087651 /nfs/dbraw/zinc/08/76/51/1166087651.db2.gz WDQXAERADLLXLR-UHFFFAOYSA-N -1 1 323.110 0.827 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001582807195 1166089930 /nfs/dbraw/zinc/08/99/30/1166089930.db2.gz RJLNGCNNWUGAJS-IINYFYTJSA-N -1 1 318.337 0.152 20 0 DCADMM OC[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC001582810799 1166091631 /nfs/dbraw/zinc/09/16/31/1166091631.db2.gz SVUKNRPDNVONEH-SNVBAGLBSA-N -1 1 315.312 0.984 20 0 DCADMM OC[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC001582810799 1166091636 /nfs/dbraw/zinc/09/16/36/1166091636.db2.gz SVUKNRPDNVONEH-SNVBAGLBSA-N -1 1 315.312 0.984 20 0 DCADMM OC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001582812752 1166092198 /nfs/dbraw/zinc/09/21/98/1166092198.db2.gz RNNRVTWFKRRQFM-WDSKDSINSA-N -1 1 316.774 0.786 20 0 DCADMM OC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCOC1 ZINC001582812752 1166092203 /nfs/dbraw/zinc/09/22/03/1166092203.db2.gz RNNRVTWFKRRQFM-WDSKDSINSA-N -1 1 316.774 0.786 20 0 DCADMM OC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1cc(F)ccc1F ZINC001582813081 1166092896 /nfs/dbraw/zinc/09/28/96/1166092896.db2.gz WAEPPRUBSWAQAL-SNVBAGLBSA-N -1 1 319.275 0.502 20 0 DCADMM O[C@@H]1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001582814487 1166093283 /nfs/dbraw/zinc/09/32/83/1166093283.db2.gz MRJWPTGLNZSIAC-PBXRRBTRSA-N -1 1 316.774 0.663 20 0 DCADMM OC[C@H](Cc1ccc(O)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001582814212 1166093295 /nfs/dbraw/zinc/09/32/95/1166093295.db2.gz ZJKPPMOBBFPIJX-JTQLQIEISA-N -1 1 313.321 0.378 20 0 DCADMM OC[C@H](Cc1ccc(O)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001582814212 1166093300 /nfs/dbraw/zinc/09/33/00/1166093300.db2.gz ZJKPPMOBBFPIJX-JTQLQIEISA-N -1 1 313.321 0.378 20 0 DCADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3csc(=O)[nH]3)nc2n1 ZINC001587192898 1166505404 /nfs/dbraw/zinc/50/54/04/1166505404.db2.gz UDYDMCIRGJAOCE-UHFFFAOYSA-N -1 1 320.334 0.785 20 0 DCADMM CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588828225 1166601141 /nfs/dbraw/zinc/60/11/41/1166601141.db2.gz XYGBZYXCUMSSNL-VIFPVBQESA-N -1 1 319.350 0.122 20 0 DCADMM CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588828225 1166601148 /nfs/dbraw/zinc/60/11/48/1166601148.db2.gz XYGBZYXCUMSSNL-VIFPVBQESA-N -1 1 319.350 0.122 20 0 DCADMM CC(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588854585 1166609155 /nfs/dbraw/zinc/60/91/55/1166609155.db2.gz HUBQHBAWMJHARV-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CC(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588854585 1166609160 /nfs/dbraw/zinc/60/91/60/1166609160.db2.gz HUBQHBAWMJHARV-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM C[C@H](C(=O)N1C[C@H]2CCCC[C@H]21)n1cnc(-c2nn[n-]n2)n1 ZINC001588962708 1166621347 /nfs/dbraw/zinc/62/13/47/1166621347.db2.gz GXYRZWLGCLZMAH-OPRDCNLKSA-N -1 1 302.342 0.420 20 0 DCADMM C[C@H](C(=O)N1C[C@@H]2CCCC[C@@H]21)n1cnc(-c2nn[n-]n2)n1 ZINC001588962709 1166622510 /nfs/dbraw/zinc/62/25/10/1166622510.db2.gz GXYRZWLGCLZMAH-UTLUCORTSA-N -1 1 302.342 0.420 20 0 DCADMM C[C@H](C(=O)N[C@H]1CCC[C@@H](F)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588973189 1166624616 /nfs/dbraw/zinc/62/46/16/1166624616.db2.gz PHSSEOLBPGSGGX-HLTSFMKQSA-N -1 1 308.321 0.416 20 0 DCADMM C[C@H](C(=O)NC[C@H]1CCCC1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588983512 1166625199 /nfs/dbraw/zinc/62/51/99/1166625199.db2.gz KZOKGJIUCZTYTA-NXEZZACHSA-N -1 1 318.385 0.962 20 0 DCADMM C[C@@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001589025120 1166629079 /nfs/dbraw/zinc/62/90/79/1166629079.db2.gz KYBCYDHQWKYZIC-ZCFIWIBFSA-N -1 1 304.339 0.799 20 0 DCADMM C[C@@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001589025120 1166629083 /nfs/dbraw/zinc/62/90/83/1166629083.db2.gz KYBCYDHQWKYZIC-ZCFIWIBFSA-N -1 1 304.339 0.799 20 0 DCADMM C[C@@H](C(=O)OCCCc1cnoc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029438 1166630571 /nfs/dbraw/zinc/63/05/71/1166630571.db2.gz AJGAHKJSRAPXLY-QMMMGPOBSA-N -1 1 318.297 0.183 20 0 DCADMM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)N1CCSCC1 ZINC001589031158 1166630723 /nfs/dbraw/zinc/63/07/23/1166630723.db2.gz TXWQHGHOBVIRJH-VIFPVBQESA-N -1 1 323.378 0.940 20 0 DCADMM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)N1CCSCC1 ZINC001589031158 1166630724 /nfs/dbraw/zinc/63/07/24/1166630724.db2.gz TXWQHGHOBVIRJH-VIFPVBQESA-N -1 1 323.378 0.940 20 0 DCADMM CC(C)(C)CCNC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589127369 1166634793 /nfs/dbraw/zinc/63/47/93/1166634793.db2.gz LSQQMIHSMKATDH-UHFFFAOYSA-N -1 1 307.362 0.194 20 0 DCADMM CC(C)(C)[C@H](CO)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589092209 1166636047 /nfs/dbraw/zinc/63/60/47/1166636047.db2.gz DBZULMKZVYIYBH-VIFPVBQESA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)(C)[C@H](CO)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589092209 1166636053 /nfs/dbraw/zinc/63/60/53/1166636053.db2.gz DBZULMKZVYIYBH-VIFPVBQESA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)n1ccnc1 ZINC001589283721 1166641432 /nfs/dbraw/zinc/64/14/32/1166641432.db2.gz XQPWJVZYVBIENX-UHFFFAOYSA-N -1 1 312.337 0.623 20 0 DCADMM CC(C)(CNc1cc(-c2nnn[n-]2)ncn1)C(=O)N1CCCC1 ZINC001589288456 1166645334 /nfs/dbraw/zinc/64/53/34/1166645334.db2.gz NVRNLJHOLPTLAM-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CC(C)(CNc1cc(-c2nn[n-]n2)ncn1)C(=O)N1CCCC1 ZINC001589288456 1166645336 /nfs/dbraw/zinc/64/53/36/1166645336.db2.gz NVRNLJHOLPTLAM-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H](O)C(F)(F)F ZINC001589319484 1166648793 /nfs/dbraw/zinc/64/87/93/1166648793.db2.gz OJCVDOKRYGOTAI-SECBINFHSA-N -1 1 319.243 0.891 20 0 DCADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@@H](O)C(F)(F)F ZINC001589319484 1166648797 /nfs/dbraw/zinc/64/87/97/1166648797.db2.gz OJCVDOKRYGOTAI-SECBINFHSA-N -1 1 319.243 0.891 20 0 DCADMM CC(C)=CC(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001589369844 1166651457 /nfs/dbraw/zinc/65/14/57/1166651457.db2.gz BVGDLPMGZHZKHF-UHFFFAOYSA-N -1 1 316.369 0.484 20 0 DCADMM CC(C)=CC(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001589369844 1166651460 /nfs/dbraw/zinc/65/14/60/1166651460.db2.gz BVGDLPMGZHZKHF-UHFFFAOYSA-N -1 1 316.369 0.484 20 0 DCADMM CC(C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001589394039 1166654102 /nfs/dbraw/zinc/65/41/02/1166654102.db2.gz JCUMNNSSZINRSQ-SECBINFHSA-N -1 1 304.358 0.572 20 0 DCADMM CC(C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001589394039 1166654109 /nfs/dbraw/zinc/65/41/09/1166654109.db2.gz JCUMNNSSZINRSQ-SECBINFHSA-N -1 1 304.358 0.572 20 0 DCADMM CC(C)[C@H](C)N(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC001589435417 1166658259 /nfs/dbraw/zinc/65/82/59/1166658259.db2.gz HTNSKLYXKDTQRT-VIFPVBQESA-N -1 1 304.358 0.494 20 0 DCADMM CC(C)[C@H](CO)[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001589459735 1166659751 /nfs/dbraw/zinc/65/97/51/1166659751.db2.gz JHJGFEYVQXFNKO-JQWIXIFHSA-N -1 1 305.386 0.780 20 0 DCADMM CC(C)CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001589538062 1166664489 /nfs/dbraw/zinc/66/44/89/1166664489.db2.gz YPBRWGPSHGWEJP-UHFFFAOYSA-N -1 1 320.357 0.411 20 0 DCADMM CC(C)CC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001589538062 1166664495 /nfs/dbraw/zinc/66/44/95/1166664495.db2.gz YPBRWGPSHGWEJP-UHFFFAOYSA-N -1 1 320.357 0.411 20 0 DCADMM CC(C)C[C@]1(C)CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001589565425 1166666414 /nfs/dbraw/zinc/66/64/14/1166666414.db2.gz BVSGZORXJPLUNN-AWEZNQCLSA-N -1 1 318.385 0.885 20 0 DCADMM CC(C)CN(C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC001589614051 1166668641 /nfs/dbraw/zinc/66/86/41/1166668641.db2.gz ODDWJUHCZGPEBJ-VIFPVBQESA-N -1 1 304.358 0.666 20 0 DCADMM CC(C)N1C(=O)CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001589709702 1166673079 /nfs/dbraw/zinc/67/30/79/1166673079.db2.gz VBOARYFLMSVPPY-UHFFFAOYSA-N -1 1 316.369 0.492 20 0 DCADMM CC(C)N1C(=O)CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001589709702 1166673085 /nfs/dbraw/zinc/67/30/85/1166673085.db2.gz VBOARYFLMSVPPY-UHFFFAOYSA-N -1 1 316.369 0.492 20 0 DCADMM CC(C)N1C(=O)C(=O)N(Cc2ccc(-c3nnn[n-]3)o2)C1=O ZINC001589709645 1166675128 /nfs/dbraw/zinc/67/51/28/1166675128.db2.gz QYHJQGFFJHGEAF-UHFFFAOYSA-N -1 1 304.266 0.159 20 0 DCADMM CC(C)N1C(=O)C(=O)N(Cc2ccc(-c3nn[n-]n3)o2)C1=O ZINC001589709645 1166675135 /nfs/dbraw/zinc/67/51/35/1166675135.db2.gz QYHJQGFFJHGEAF-UHFFFAOYSA-N -1 1 304.266 0.159 20 0 DCADMM CC(C)NC(=O)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589724773 1166679076 /nfs/dbraw/zinc/67/90/76/1166679076.db2.gz XDWOLHDNIKPCBU-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)NC(=O)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589724773 1166679081 /nfs/dbraw/zinc/67/90/81/1166679081.db2.gz XDWOLHDNIKPCBU-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)OCC[C@@H](O)COc1ccc(F)nc1-c1nn[n-]n1 ZINC001589746934 1166680863 /nfs/dbraw/zinc/68/08/63/1166680863.db2.gz NFAMWHZLMGVERT-SECBINFHSA-N -1 1 311.317 0.956 20 0 DCADMM CC(C)SCC(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001589761078 1166683080 /nfs/dbraw/zinc/68/30/80/1166683080.db2.gz LQLDVUPJNOTRJD-UHFFFAOYSA-N -1 1 322.398 0.326 20 0 DCADMM CC(C)SCC(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001589761078 1166683085 /nfs/dbraw/zinc/68/30/85/1166683085.db2.gz LQLDVUPJNOTRJD-UHFFFAOYSA-N -1 1 322.398 0.326 20 0 DCADMM C[C@@H](CO)Cn1cc(Br)cc(-c2nn[n-]n2)c1=O ZINC001589882882 1166702925 /nfs/dbraw/zinc/70/29/25/1166702925.db2.gz UKSPAMMIDQDGPW-ZCFIWIBFSA-N -1 1 314.143 0.419 20 0 DCADMM C[C@H](CO)N(CC1CCC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589883319 1166708561 /nfs/dbraw/zinc/70/85/61/1166708561.db2.gz ZAJXRUOHIKGXJA-SNVBAGLBSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H](CO)N(CC1CCC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589883319 1166708564 /nfs/dbraw/zinc/70/85/64/1166708564.db2.gz ZAJXRUOHIKGXJA-SNVBAGLBSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)[C@H]1CCOC1 ZINC001589934746 1166724337 /nfs/dbraw/zinc/72/43/37/1166724337.db2.gz NVDAIHNGGLTXFP-SFYZADRCSA-N -1 1 323.382 0.547 20 0 DCADMM C[C@@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)[C@H]1CCOC1 ZINC001589934746 1166724341 /nfs/dbraw/zinc/72/43/41/1166724341.db2.gz NVDAIHNGGLTXFP-SFYZADRCSA-N -1 1 323.382 0.547 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@H](O)C(F)(F)F ZINC001589944783 1166727117 /nfs/dbraw/zinc/72/71/17/1166727117.db2.gz VIMVGEPWYSFWKZ-FBCQKBJTSA-N -1 1 305.216 0.501 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@H](O)C(F)(F)F ZINC001589944783 1166727122 /nfs/dbraw/zinc/72/71/22/1166727122.db2.gz VIMVGEPWYSFWKZ-FBCQKBJTSA-N -1 1 305.216 0.501 20 0 DCADMM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1nnc2n1CCC2 ZINC001589971597 1166733888 /nfs/dbraw/zinc/73/38/88/1166733888.db2.gz YOXSFXHUNPLULJ-QMMMGPOBSA-N -1 1 300.326 0.848 20 0 DCADMM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1nnc2n1CCC2 ZINC001589971597 1166733890 /nfs/dbraw/zinc/73/38/90/1166733890.db2.gz YOXSFXHUNPLULJ-QMMMGPOBSA-N -1 1 300.326 0.848 20 0 DCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](O)Cc1ccccc1 ZINC001589986068 1166735700 /nfs/dbraw/zinc/73/57/00/1166735700.db2.gz WECFOASQNBEVFU-CMPLNLGQSA-N -1 1 311.349 0.483 20 0 DCADMM C[C@@](O)(CO)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001589993307 1166740664 /nfs/dbraw/zinc/74/06/64/1166740664.db2.gz SDSOAJAZIQHWOK-AWEZNQCLSA-N -1 1 300.322 0.570 20 0 DCADMM C[C@@](O)(CO)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001589993307 1166740669 /nfs/dbraw/zinc/74/06/69/1166740669.db2.gz SDSOAJAZIQHWOK-AWEZNQCLSA-N -1 1 300.322 0.570 20 0 DCADMM C[C@](O)(CO)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001589993308 1166740982 /nfs/dbraw/zinc/74/09/82/1166740982.db2.gz SDSOAJAZIQHWOK-CQSZACIVSA-N -1 1 300.322 0.570 20 0 DCADMM C[C@](O)(CO)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001589993308 1166740988 /nfs/dbraw/zinc/74/09/88/1166740988.db2.gz SDSOAJAZIQHWOK-CQSZACIVSA-N -1 1 300.322 0.570 20 0 DCADMM C[C@@H](OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(=O)C(C)(C)C ZINC001590003449 1166750220 /nfs/dbraw/zinc/75/02/20/1166750220.db2.gz APANBEKUNWDPFA-JGVFFNPUSA-N -1 1 321.341 0.566 20 0 DCADMM CC1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCOCC1 ZINC001590068324 1166763326 /nfs/dbraw/zinc/76/33/26/1166763326.db2.gz HDCGAXIVKZESCS-UHFFFAOYSA-N -1 1 308.367 0.756 20 0 DCADMM CC1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCOCC1 ZINC001590068324 1166763329 /nfs/dbraw/zinc/76/33/29/1166763329.db2.gz HDCGAXIVKZESCS-UHFFFAOYSA-N -1 1 308.367 0.756 20 0 DCADMM CC1(C)CC(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590081846 1166768402 /nfs/dbraw/zinc/76/84/02/1166768402.db2.gz LHPMYVVERJPAQF-UHFFFAOYSA-N -1 1 322.394 0.976 20 0 DCADMM CC1(C)CC(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590081846 1166768410 /nfs/dbraw/zinc/76/84/10/1166768410.db2.gz LHPMYVVERJPAQF-UHFFFAOYSA-N -1 1 322.394 0.976 20 0 DCADMM CC1(C)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC[C@@H]1O ZINC001590102890 1166773223 /nfs/dbraw/zinc/77/32/23/1166773223.db2.gz BRGZGPPMGWDCHZ-JTQLQIEISA-N -1 1 317.353 0.886 20 0 DCADMM CC1(C)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC[C@@H]1O ZINC001590102890 1166773230 /nfs/dbraw/zinc/77/32/30/1166773230.db2.gz BRGZGPPMGWDCHZ-JTQLQIEISA-N -1 1 317.353 0.886 20 0 DCADMM CC1(C)OC[C@H]2C[C@]21C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590120004 1166781470 /nfs/dbraw/zinc/78/14/70/1166781470.db2.gz WNGKHFJUVGNPCZ-FUXBKTLASA-N -1 1 320.378 0.755 20 0 DCADMM CC1(C)OC[C@H]2C[C@]21C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590120004 1166781476 /nfs/dbraw/zinc/78/14/76/1166781476.db2.gz WNGKHFJUVGNPCZ-FUXBKTLASA-N -1 1 320.378 0.755 20 0 DCADMM CC12CC(C1)CN2c1cccc(S(N)(=O)=O)c1-c1nn[n-]n1 ZINC001590158124 1166792324 /nfs/dbraw/zinc/79/23/24/1166792324.db2.gz WTXMXGJCBKZCTA-UHFFFAOYSA-N -1 1 320.378 0.503 20 0 DCADMM C[C@@]12COC[C@H]1CN(C(=O)c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001590158633 1166793785 /nfs/dbraw/zinc/79/37/85/1166793785.db2.gz YVLVRUFSIMNHEH-QMTHXVAHSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@@]12COC[C@H]1CN(C(=O)c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001590158633 1166793792 /nfs/dbraw/zinc/79/37/92/1166793792.db2.gz YVLVRUFSIMNHEH-QMTHXVAHSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@H]1CC(=O)NCCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590180783 1166801603 /nfs/dbraw/zinc/80/16/03/1166801603.db2.gz JISHFNZRKCKSRZ-QMMMGPOBSA-N -1 1 316.325 0.004 20 0 DCADMM C[C@H]1CC(=O)NCCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590180783 1166801613 /nfs/dbraw/zinc/80/16/13/1166801613.db2.gz JISHFNZRKCKSRZ-QMMMGPOBSA-N -1 1 316.325 0.004 20 0 DCADMM C[C@@H](C(=O)N1CC(C)(C)C[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590191883 1166805629 /nfs/dbraw/zinc/80/56/29/1166805629.db2.gz JYECKUODEOREBA-IUCAKERBSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001590218476 1166819288 /nfs/dbraw/zinc/81/92/88/1166819288.db2.gz GTCZXTXDKROLCJ-MRTMQBJTSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001590218476 1166819291 /nfs/dbraw/zinc/81/92/91/1166819291.db2.gz GTCZXTXDKROLCJ-MRTMQBJTSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@H](C(=O)OC[C@H]1CC[C@@H](C)O1)n1cnc(-c2nn[n-]n2)n1 ZINC001590231439 1166821974 /nfs/dbraw/zinc/82/19/74/1166821974.db2.gz QHOOXMLDGVIPBQ-IWSPIJDZSA-N -1 1 307.314 0.130 20 0 DCADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590236866 1166824775 /nfs/dbraw/zinc/82/47/75/1166824775.db2.gz NJECHLWUWDLYIU-RKDXNWHRSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@H]1CCC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001590256195 1166829875 /nfs/dbraw/zinc/82/98/75/1166829875.db2.gz XSXTUPIVUHGXBK-JGVFFNPUSA-N -1 1 305.342 0.657 20 0 DCADMM C[C@@H]1CCCc2ncc(C(=O)Nc3c[nH]nc3-c3nn[n-]n3)n21 ZINC001590264663 1166831173 /nfs/dbraw/zinc/83/11/73/1166831173.db2.gz AINWHFHIRPTWMT-SSDOTTSWSA-N -1 1 313.325 0.936 20 0 DCADMM C[C@H]1CCN(c2nnc(-c3cnc(-c4nnn[n-]4)cn3)n2C)C1 ZINC001590278087 1166837545 /nfs/dbraw/zinc/83/75/45/1166837545.db2.gz WKQVFFXGYRJMMD-QMMMGPOBSA-N -1 1 312.341 0.298 20 0 DCADMM C[C@H]1CCN(c2nnc(-c3cnc(-c4nn[n-]n4)cn3)n2C)C1 ZINC001590278087 1166837549 /nfs/dbraw/zinc/83/75/49/1166837549.db2.gz WKQVFFXGYRJMMD-QMMMGPOBSA-N -1 1 312.341 0.298 20 0 DCADMM C[C@H]1CCOCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590278016 1166838168 /nfs/dbraw/zinc/83/81/68/1166838168.db2.gz MXAZIHOCUFJQPK-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM C[C@H]1CCOCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590278016 1166838171 /nfs/dbraw/zinc/83/81/71/1166838171.db2.gz MXAZIHOCUFJQPK-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCC1=O ZINC001590292765 1166842845 /nfs/dbraw/zinc/84/28/45/1166842845.db2.gz PRZBYLMOGJXCFO-SECBINFHSA-N -1 1 300.322 0.242 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCC1=O ZINC001590292765 1166842851 /nfs/dbraw/zinc/84/28/51/1166842851.db2.gz PRZBYLMOGJXCFO-SECBINFHSA-N -1 1 300.322 0.242 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)Cc2c[nH]nc21 ZINC001590299069 1166846061 /nfs/dbraw/zinc/84/60/61/1166846061.db2.gz UHMWASDLKGKPHO-MRVPVSSYSA-N -1 1 310.321 0.744 20 0 DCADMM C[C@@H]1CN(CCNC(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC001590304740 1166850195 /nfs/dbraw/zinc/85/01/95/1166850195.db2.gz OYRQIUWHRKYDMF-VHSXEESVSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@@H]1CN(CCNC(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](C)CO1 ZINC001590304740 1166850201 /nfs/dbraw/zinc/85/02/01/1166850201.db2.gz OYRQIUWHRKYDMF-VHSXEESVSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)C[C@H](C2CC2)O1 ZINC001590311178 1166856306 /nfs/dbraw/zinc/85/63/06/1166856306.db2.gz WIZBLJGGSWNOTI-ZWNOBZJWSA-N -1 1 316.365 0.485 20 0 DCADMM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590331342 1166867804 /nfs/dbraw/zinc/86/78/04/1166867804.db2.gz MDMLRNLHVVBMPL-BIIVOSGPSA-N -1 1 320.378 0.666 20 0 DCADMM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590331342 1166867809 /nfs/dbraw/zinc/86/78/09/1166867809.db2.gz MDMLRNLHVVBMPL-BIIVOSGPSA-N -1 1 320.378 0.666 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590333916 1166871883 /nfs/dbraw/zinc/87/18/83/1166871883.db2.gz HRFINHHADCYKTN-SDCKUUTBSA-N -1 1 322.394 0.999 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590333916 1166871887 /nfs/dbraw/zinc/87/18/87/1166871887.db2.gz HRFINHHADCYKTN-SDCKUUTBSA-N -1 1 322.394 0.999 20 0 DCADMM C/C=C(\C)C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001590344752 1166876112 /nfs/dbraw/zinc/87/61/12/1166876112.db2.gz 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ZINC001590355518 1166882946 /nfs/dbraw/zinc/88/29/46/1166882946.db2.gz ZUYMRENIPVMSGE-LHOHZTISSA-N -1 1 316.369 0.695 20 0 DCADMM CC=CC=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590355518 1166882952 /nfs/dbraw/zinc/88/29/52/1166882952.db2.gz ZUYMRENIPVMSGE-LHOHZTISSA-N -1 1 316.369 0.695 20 0 DCADMM CCC(=O)NCCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001590366566 1166889120 /nfs/dbraw/zinc/88/91/20/1166889120.db2.gz YFVZCDQBGFHOCC-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)NCCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001590366566 1166889127 /nfs/dbraw/zinc/88/91/27/1166889127.db2.gz YFVZCDQBGFHOCC-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001590364338 1166889669 /nfs/dbraw/zinc/88/96/69/1166889669.db2.gz XIVFOCCXFZLRKD-SNVBAGLBSA-N -1 1 304.358 0.619 20 0 DCADMM CCC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001590364338 1166889673 /nfs/dbraw/zinc/88/96/73/1166889673.db2.gz XIVFOCCXFZLRKD-SNVBAGLBSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)C(=O)OC ZINC001590371240 1166891482 /nfs/dbraw/zinc/89/14/82/1166891482.db2.gz UYIIOULISNVAJV-QMMMGPOBSA-N -1 1 320.309 0.408 20 0 DCADMM CC/C(C)=C\C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590386199 1166894269 /nfs/dbraw/zinc/89/42/69/1166894269.db2.gz XQTNLGXIVYVNGT-HJWRWDBZSA-N -1 1 318.385 0.919 20 0 DCADMM CC/C(C)=C\C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590386199 1166894275 /nfs/dbraw/zinc/89/42/75/1166894275.db2.gz XQTNLGXIVYVNGT-HJWRWDBZSA-N -1 1 318.385 0.919 20 0 DCADMM CC[C@H](C)[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)OC ZINC001590398439 1166898611 /nfs/dbraw/zinc/89/86/11/1166898611.db2.gz BLEXUQZFCYZZSU-YUMQZZPRSA-N -1 1 323.357 0.139 20 0 DCADMM CC[C@H](C[C@@H](C)O)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590425111 1166902189 /nfs/dbraw/zinc/90/21/89/1166902189.db2.gz PJRXEALRRIVWNW-MWLCHTKSSA-N -1 1 304.354 0.470 20 0 DCADMM CC[C@H](C[C@@H](C)O)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590425111 1166902197 /nfs/dbraw/zinc/90/21/97/1166902197.db2.gz PJRXEALRRIVWNW-MWLCHTKSSA-N -1 1 304.354 0.470 20 0 DCADMM CCC(CC)N(CCOC)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590434784 1166905556 /nfs/dbraw/zinc/90/55/56/1166905556.db2.gz FKRUJAKWLOURJR-UHFFFAOYSA-N -1 1 322.373 0.122 20 0 DCADMM CC[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001590454795 1166909954 /nfs/dbraw/zinc/90/99/54/1166909954.db2.gz DLAISLRODMJRFU-VIFPVBQESA-N -1 1 315.337 0.505 20 0 DCADMM CC[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001590454795 1166909960 /nfs/dbraw/zinc/90/99/60/1166909960.db2.gz DLAISLRODMJRFU-VIFPVBQESA-N -1 1 315.337 0.505 20 0 DCADMM CCC(O)(CC)CN(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590473929 1166919940 /nfs/dbraw/zinc/91/99/40/1166919940.db2.gz YUHCZASMGGBGSA-UHFFFAOYSA-N -1 1 304.354 0.885 20 0 DCADMM CCC(O)(CC)CN(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590473929 1166919947 /nfs/dbraw/zinc/91/99/47/1166919947.db2.gz YUHCZASMGGBGSA-UHFFFAOYSA-N -1 1 304.354 0.885 20 0 DCADMM CC[C@@H](O)CCCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590474921 1166920675 /nfs/dbraw/zinc/92/06/75/1166920675.db2.gz HRPHVDXPYCKFPY-LLVKDONJSA-N -1 1 304.354 0.472 20 0 DCADMM CC[C@@H](O)CCCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590474921 1166920678 /nfs/dbraw/zinc/92/06/78/1166920678.db2.gz HRPHVDXPYCKFPY-LLVKDONJSA-N -1 1 304.354 0.472 20 0 DCADMM CCC1(C)CN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590491004 1166921618 /nfs/dbraw/zinc/92/16/18/1166921618.db2.gz XTMXMIROESHUEG-UHFFFAOYSA-N -1 1 308.367 0.682 20 0 DCADMM CC[C@@]1(C)CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001590490188 1166923388 /nfs/dbraw/zinc/92/33/88/1166923388.db2.gz IKSBAGHSUHRKLX-HNNXBMFYSA-N -1 1 316.365 0.832 20 0 DCADMM CC[C@@]1(C)CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001590490188 1166923394 /nfs/dbraw/zinc/92/33/94/1166923394.db2.gz IKSBAGHSUHRKLX-HNNXBMFYSA-N -1 1 316.365 0.832 20 0 DCADMM CC[C@H]1C(=O)NCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590499004 1166926265 /nfs/dbraw/zinc/92/62/65/1166926265.db2.gz HRCWFCFQXPNENP-YFKPBYRVSA-N -1 1 313.774 0.691 20 0 DCADMM CC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H](C)S1(=O)=O ZINC001590521518 1166932980 /nfs/dbraw/zinc/93/29/80/1166932980.db2.gz AQEGQEBNTAFFAT-BDAKNGLRSA-N -1 1 323.382 0.059 20 0 DCADMM CC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H](C)S1(=O)=O ZINC001590521518 1166932985 /nfs/dbraw/zinc/93/29/85/1166932985.db2.gz AQEGQEBNTAFFAT-BDAKNGLRSA-N -1 1 323.382 0.059 20 0 DCADMM CCCC(=O)c1cn(Cc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001590539125 1166939017 /nfs/dbraw/zinc/93/90/17/1166939017.db2.gz ZGRZMCNHAGKMCI-UHFFFAOYSA-N -1 1 304.339 0.946 20 0 DCADMM CCCC(=O)c1cn(Cc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001590539125 1166939022 /nfs/dbraw/zinc/93/90/22/1166939022.db2.gz ZGRZMCNHAGKMCI-UHFFFAOYSA-N -1 1 304.339 0.946 20 0 DCADMM CCC[C@@H](O)[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590558869 1166941274 /nfs/dbraw/zinc/94/12/74/1166941274.db2.gz INZMWVCEQYNQKY-JGVFFNPUSA-N -1 1 311.367 0.180 20 0 DCADMM CCC[C@@H](O)[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590558869 1166941279 /nfs/dbraw/zinc/94/12/79/1166941279.db2.gz INZMWVCEQYNQKY-JGVFFNPUSA-N -1 1 311.367 0.180 20 0 DCADMM CCC[C@@H](CC)Sc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590554581 1166942583 /nfs/dbraw/zinc/94/25/83/1166942583.db2.gz FSLHKFSNKLLXPR-MRVPVSSYSA-N -1 1 324.410 0.935 20 0 DCADMM CCCN(CC1CC1)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590622287 1166951708 /nfs/dbraw/zinc/95/17/08/1166951708.db2.gz RDBJVZMAADNCOG-VIFPVBQESA-N -1 1 304.358 0.668 20 0 DCADMM CCCn1ncnc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590666799 1166963628 /nfs/dbraw/zinc/96/36/28/1166963628.db2.gz YGNUOFHOVGLYAV-UHFFFAOYSA-N -1 1 314.309 0.620 20 0 DCADMM CCCn1ncnc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590666799 1166963634 /nfs/dbraw/zinc/96/36/34/1166963634.db2.gz YGNUOFHOVGLYAV-UHFFFAOYSA-N -1 1 314.309 0.620 20 0 DCADMM CCN(C[C@@H](C)OC)Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001590681055 1166972806 /nfs/dbraw/zinc/97/28/06/1166972806.db2.gz PIAOJIVSHMBLPM-LLVKDONJSA-N -1 1 306.370 0.651 20 0 DCADMM CCN(CCSC)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001590714988 1166980756 /nfs/dbraw/zinc/98/07/56/1166980756.db2.gz BPJRUHXLMMUJFE-UHFFFAOYSA-N -1 1 310.383 0.917 20 0 DCADMM CCN(CCSC)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001590714988 1166980761 /nfs/dbraw/zinc/98/07/61/1166980761.db2.gz BPJRUHXLMMUJFE-UHFFFAOYSA-N -1 1 310.383 0.917 20 0 DCADMM CCN1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC001590733681 1166991845 /nfs/dbraw/zinc/99/18/45/1166991845.db2.gz SBFBTFXERZMPGK-LLVKDONJSA-N -1 1 315.337 0.002 20 0 DCADMM CCN1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC001590733681 1166991849 /nfs/dbraw/zinc/99/18/49/1166991849.db2.gz SBFBTFXERZMPGK-LLVKDONJSA-N -1 1 315.337 0.002 20 0 DCADMM CCN1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C(C)(C)C1=O ZINC001590735329 1166992669 /nfs/dbraw/zinc/99/26/69/1166992669.db2.gz TVAFSQIXXOUHSK-UHFFFAOYSA-N -1 1 318.337 0.543 20 0 DCADMM CCN1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C(C)(C)C1=O ZINC001590735329 1166992674 /nfs/dbraw/zinc/99/26/74/1166992674.db2.gz TVAFSQIXXOUHSK-UHFFFAOYSA-N -1 1 318.337 0.543 20 0 DCADMM CCOC(=O)[C@H](C)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590750392 1167003192 /nfs/dbraw/zinc/00/31/92/1167003192.db2.gz JGYRQQDEQHXEGG-MRVPVSSYSA-N -1 1 321.312 0.935 20 0 DCADMM CCOC(=O)[C@H](C)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590750392 1167003196 /nfs/dbraw/zinc/00/31/96/1167003196.db2.gz JGYRQQDEQHXEGG-MRVPVSSYSA-N -1 1 321.312 0.935 20 0 DCADMM CCOC(=O)Cc1cn(Cc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001590767008 1167014459 /nfs/dbraw/zinc/01/44/59/1167014459.db2.gz VPMMQKCDJJQCFY-UHFFFAOYSA-N -1 1 314.309 0.007 20 0 DCADMM CCOC(=O)Cc1cn(Cc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001590767008 1167014464 /nfs/dbraw/zinc/01/44/64/1167014464.db2.gz VPMMQKCDJJQCFY-UHFFFAOYSA-N -1 1 314.309 0.007 20 0 DCADMM CCOC(=O)[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590771128 1167015838 /nfs/dbraw/zinc/01/58/38/1167015838.db2.gz YNNSVIBNSHYAJU-ZETCQYMHSA-N -1 1 307.310 0.792 20 0 DCADMM CCOC(=O)[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590771128 1167015840 /nfs/dbraw/zinc/01/58/40/1167015840.db2.gz YNNSVIBNSHYAJU-ZETCQYMHSA-N -1 1 307.310 0.792 20 0 DCADMM CCOCC(=O)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001590797260 1167024111 /nfs/dbraw/zinc/02/41/11/1167024111.db2.gz NUTBMJSINIUZDO-UHFFFAOYSA-N -1 1 313.317 0.787 20 0 DCADMM CCOC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)C(C)C ZINC001590799779 1167024771 /nfs/dbraw/zinc/02/47/71/1167024771.db2.gz CANKOTHWMCVRLY-QMMMGPOBSA-N -1 1 323.357 0.139 20 0 DCADMM CCOCC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)n1)C(=O)[O-] ZINC001590808350 1167025790 /nfs/dbraw/zinc/02/57/90/1167025790.db2.gz FKIJNTREZGNDHH-NSHDSACASA-N -1 1 306.326 0.231 20 0 DCADMM CCOCCO[C@H](C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590815023 1167028538 /nfs/dbraw/zinc/02/85/38/1167028538.db2.gz NXIAHCXAMAQQIT-SNVBAGLBSA-N -1 1 320.353 0.320 20 0 DCADMM CCOCCO[C@H](C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590815023 1167028543 /nfs/dbraw/zinc/02/85/43/1167028543.db2.gz NXIAHCXAMAQQIT-SNVBAGLBSA-N -1 1 320.353 0.320 20 0 DCADMM CCSCc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)no1 ZINC001590854120 1167038368 /nfs/dbraw/zinc/03/83/68/1167038368.db2.gz YOEZEWDZHHNCQL-UHFFFAOYSA-N -1 1 320.338 0.575 20 0 DCADMM CC[S@@](=O)CC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590849802 1167038772 /nfs/dbraw/zinc/03/87/72/1167038772.db2.gz HBQZTVJIFHKWTO-LJQANCHMSA-N -1 1 300.365 0.740 20 0 DCADMM CCc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)nn1C ZINC001590880464 1167044187 /nfs/dbraw/zinc/04/41/87/1167044187.db2.gz RNMHIFDRCJXHLJ-UHFFFAOYSA-N -1 1 312.337 0.488 20 0 DCADMM CCc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)nn1C ZINC001590880464 1167044196 /nfs/dbraw/zinc/04/41/96/1167044196.db2.gz RNMHIFDRCJXHLJ-UHFFFAOYSA-N -1 1 312.337 0.488 20 0 DCADMM CCc1cc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)nn1C ZINC001590880986 1167044404 /nfs/dbraw/zinc/04/44/04/1167044404.db2.gz IKWMPPAHTGYYIK-UHFFFAOYSA-N -1 1 315.341 0.457 20 0 DCADMM CCc1cc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)nn1C ZINC001590880986 1167044408 /nfs/dbraw/zinc/04/44/08/1167044408.db2.gz IKWMPPAHTGYYIK-UHFFFAOYSA-N -1 1 315.341 0.457 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2C[C@@H](C)O)n1 ZINC001590906701 1167047189 /nfs/dbraw/zinc/04/71/89/1167047189.db2.gz WEMZHBVXJMKWPV-ZJUUUORDSA-N -1 1 303.370 0.959 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2C[C@@H](C)O)n1 ZINC001590906701 1167047198 /nfs/dbraw/zinc/04/71/98/1167047198.db2.gz WEMZHBVXJMKWPV-ZJUUUORDSA-N -1 1 303.370 0.959 20 0 DCADMM CCc1nc(N[C@H](CO)[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001590915727 1167050018 /nfs/dbraw/zinc/05/00/18/1167050018.db2.gz FVOZZUIWPRLOBL-MWLCHTKSSA-N -1 1 319.369 0.419 20 0 DCADMM CCc1nc(N[C@H](CO)[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001590915727 1167050027 /nfs/dbraw/zinc/05/00/27/1167050027.db2.gz FVOZZUIWPRLOBL-MWLCHTKSSA-N -1 1 319.369 0.419 20 0 DCADMM CCc1nc(NCCCO[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001590919074 1167050790 /nfs/dbraw/zinc/05/07/90/1167050790.db2.gz MDKZMGAGACRLPT-JTQLQIEISA-N -1 1 319.369 0.827 20 0 DCADMM CCc1nc(NCCCO[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001590919074 1167050796 /nfs/dbraw/zinc/05/07/96/1167050796.db2.gz MDKZMGAGACRLPT-JTQLQIEISA-N -1 1 319.369 0.827 20 0 DCADMM CCc1nc(N[C@@H]2CCC3(C2)OCCO3)cc(-c2nnn[n-]2)n1 ZINC001590917724 1167051764 /nfs/dbraw/zinc/05/17/64/1167051764.db2.gz XILLIQWXRUCXSK-SECBINFHSA-N -1 1 317.353 0.927 20 0 DCADMM CCc1nc(N[C@@H]2CCC3(C2)OCCO3)cc(-c2nn[n-]n2)n1 ZINC001590917724 1167051775 /nfs/dbraw/zinc/05/17/75/1167051775.db2.gz XILLIQWXRUCXSK-SECBINFHSA-N -1 1 317.353 0.927 20 0 DCADMM CCc1ncc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cn1 ZINC001590925563 1167052366 /nfs/dbraw/zinc/05/23/66/1167052366.db2.gz VRCJQCNWPDVMRI-SSDOTTSWSA-N -1 1 314.313 0.010 20 0 DCADMM CCn1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1=O ZINC001590959644 1167058220 /nfs/dbraw/zinc/05/82/20/1167058220.db2.gz MSRDGLDQPSGUMV-UHFFFAOYSA-N -1 1 311.305 0.696 20 0 DCADMM CCn1ncc2ncn(Cc3ccc(-c4nnn[n-]4)o3)c(=O)c21 ZINC001590970133 1167062241 /nfs/dbraw/zinc/06/22/41/1167062241.db2.gz SCLIGTQCGVFTBT-UHFFFAOYSA-N -1 1 312.293 0.434 20 0 DCADMM CCn1ncc2ncn(Cc3ccc(-c4nn[n-]n4)o3)c(=O)c21 ZINC001590970133 1167062247 /nfs/dbraw/zinc/06/22/47/1167062247.db2.gz SCLIGTQCGVFTBT-UHFFFAOYSA-N -1 1 312.293 0.434 20 0 DCADMM CN(C(=O)[C@@H]1C[C@]12CCOC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001590975916 1167063164 /nfs/dbraw/zinc/06/31/64/1167063164.db2.gz ITMAZWDPLFOVJR-HZMBPMFUSA-N -1 1 300.322 0.651 20 0 DCADMM CN(C(=O)[C@@H]1C[C@]12CCOC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001590975916 1167063166 /nfs/dbraw/zinc/06/31/66/1167063166.db2.gz ITMAZWDPLFOVJR-HZMBPMFUSA-N -1 1 300.322 0.651 20 0 DCADMM CN(C(=O)c1c[nH]c2cccc(-c3nn[nH]n3)c12)c1nn[n-]n1 ZINC001590990178 1167069013 /nfs/dbraw/zinc/06/90/13/1167069013.db2.gz FLFSYWRYWWMYQK-UHFFFAOYSA-N -1 1 310.281 0.138 20 0 DCADMM CN(C)C(=O)NCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591004018 1167074983 /nfs/dbraw/zinc/07/49/83/1167074983.db2.gz SGUIMPNKHPRKFZ-UHFFFAOYSA-N -1 1 316.778 0.660 20 0 DCADMM CN(C)C(=O)NCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591004018 1167074986 /nfs/dbraw/zinc/07/49/86/1167074986.db2.gz SGUIMPNKHPRKFZ-UHFFFAOYSA-N -1 1 316.778 0.660 20 0 DCADMM CN(CCC(N)=O)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001591064340 1167096886 /nfs/dbraw/zinc/09/68/86/1167096886.db2.gz HDQBRTCHHGZILV-UHFFFAOYSA-N -1 1 315.259 0.592 20 0 DCADMM CN(CCC(N)=O)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001591064340 1167096889 /nfs/dbraw/zinc/09/68/89/1167096889.db2.gz HDQBRTCHHGZILV-UHFFFAOYSA-N -1 1 315.259 0.592 20 0 DCADMM CN(CCN1CCCC1=O)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591095459 1167102958 /nfs/dbraw/zinc/10/29/58/1167102958.db2.gz VSGKURSPBKYDEG-UHFFFAOYSA-N -1 1 304.310 0.154 20 0 DCADMM CN(CCN1CCCC1=O)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591095459 1167102960 /nfs/dbraw/zinc/10/29/60/1167102960.db2.gz VSGKURSPBKYDEG-UHFFFAOYSA-N -1 1 304.310 0.154 20 0 DCADMM CN(C(=O)c1coc(-c2nnn[n-]2)c1)[C@@H]1CCC(=O)N(C)C1 ZINC001591170551 1167124376 /nfs/dbraw/zinc/12/43/76/1167124376.db2.gz JLGMIOYAIUDZHN-SECBINFHSA-N -1 1 304.310 0.153 20 0 DCADMM CN(C(=O)c1coc(-c2nn[n-]n2)c1)[C@@H]1CCC(=O)N(C)C1 ZINC001591170551 1167124382 /nfs/dbraw/zinc/12/43/82/1167124382.db2.gz JLGMIOYAIUDZHN-SECBINFHSA-N -1 1 304.310 0.153 20 0 DCADMM CN1CCC[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)o2)C1=O ZINC001591185156 1167139302 /nfs/dbraw/zinc/13/93/02/1167139302.db2.gz STNRZGFPHMWGEG-VIFPVBQESA-N -1 1 305.294 0.371 20 0 DCADMM CN1CCC[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)o2)C1=O ZINC001591185156 1167139306 /nfs/dbraw/zinc/13/93/06/1167139306.db2.gz STNRZGFPHMWGEG-VIFPVBQESA-N -1 1 305.294 0.371 20 0 DCADMM CN1CCC[C@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C1=O ZINC001591186069 1167139670 /nfs/dbraw/zinc/13/96/70/1167139670.db2.gz UNYNFSWHKBIPHF-JTQLQIEISA-N -1 1 318.312 0.356 20 0 DCADMM CN1CCC[C@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001591186069 1167139676 /nfs/dbraw/zinc/13/96/76/1167139676.db2.gz UNYNFSWHKBIPHF-JTQLQIEISA-N -1 1 318.312 0.356 20 0 DCADMM CN1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCC1=O ZINC001591192322 1167143244 /nfs/dbraw/zinc/14/32/44/1167143244.db2.gz HIVCAHCCFVNMSY-UHFFFAOYSA-N -1 1 307.745 0.584 20 0 DCADMM CN1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCC1=O ZINC001591192322 1167143246 /nfs/dbraw/zinc/14/32/46/1167143246.db2.gz HIVCAHCCFVNMSY-UHFFFAOYSA-N -1 1 307.745 0.584 20 0 DCADMM CNC(=O)[C@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591203793 1167152907 /nfs/dbraw/zinc/15/29/07/1167152907.db2.gz KULODYDIZCOMPK-DTWKUNHWSA-N -1 1 302.342 0.292 20 0 DCADMM CNC(=O)[C@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591203793 1167152911 /nfs/dbraw/zinc/15/29/11/1167152911.db2.gz KULODYDIZCOMPK-DTWKUNHWSA-N -1 1 302.342 0.292 20 0 DCADMM CNC(=O)NC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001591210192 1167157378 /nfs/dbraw/zinc/15/73/78/1167157378.db2.gz WVGMLCVQFMANQE-UHFFFAOYSA-N -1 1 302.342 0.160 20 0 DCADMM CNC(=O)NC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001591210192 1167157384 /nfs/dbraw/zinc/15/73/84/1167157384.db2.gz WVGMLCVQFMANQE-UHFFFAOYSA-N -1 1 302.342 0.160 20 0 DCADMM CNC(=O)CN(C)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001591208707 1167158176 /nfs/dbraw/zinc/15/81/76/1167158176.db2.gz SZENMTMBCXGDDI-UHFFFAOYSA-N -1 1 315.259 0.463 20 0 DCADMM CNC(=O)CN(C)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001591208707 1167158179 /nfs/dbraw/zinc/15/81/79/1167158179.db2.gz SZENMTMBCXGDDI-UHFFFAOYSA-N -1 1 315.259 0.463 20 0 DCADMM CNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001591213564 1167160462 /nfs/dbraw/zinc/16/04/62/1167160462.db2.gz OHJXQFFFGACOSQ-UHFFFAOYSA-N -1 1 324.304 0.269 20 0 DCADMM CNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001591213564 1167160465 /nfs/dbraw/zinc/16/04/65/1167160465.db2.gz OHJXQFFFGACOSQ-UHFFFAOYSA-N -1 1 324.304 0.269 20 0 DCADMM CNC(=O)c1ccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)cc1 ZINC001591213262 1167160510 /nfs/dbraw/zinc/16/05/10/1167160510.db2.gz CMQVXOVGZHGDCH-UHFFFAOYSA-N -1 1 322.332 0.724 20 0 DCADMM COC(=O)[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001591238384 1167170234 /nfs/dbraw/zinc/17/02/34/1167170234.db2.gz WRRVIAMQTYEAOW-LBPRGKRZSA-N -1 1 319.321 0.545 20 0 DCADMM COC(=O)[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001591238384 1167170237 /nfs/dbraw/zinc/17/02/37/1167170237.db2.gz WRRVIAMQTYEAOW-LBPRGKRZSA-N -1 1 319.321 0.545 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001591251190 1167177132 /nfs/dbraw/zinc/17/71/32/1167177132.db2.gz ALZZDLJYLHZVPP-SCZZXKLOSA-N -1 1 316.321 0.285 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001591251190 1167177138 /nfs/dbraw/zinc/17/71/38/1167177138.db2.gz ALZZDLJYLHZVPP-SCZZXKLOSA-N -1 1 316.321 0.285 20 0 DCADMM COC(=O)C[C@@H]1COCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001591263366 1167186492 /nfs/dbraw/zinc/18/64/92/1167186492.db2.gz ZFFPRMKIYCKTNQ-SNVBAGLBSA-N -1 1 304.310 0.030 20 0 DCADMM COC(=O)C[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001591263366 1167186495 /nfs/dbraw/zinc/18/64/95/1167186495.db2.gz ZFFPRMKIYCKTNQ-SNVBAGLBSA-N -1 1 304.310 0.030 20 0 DCADMM COC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591271223 1167191430 /nfs/dbraw/zinc/19/14/30/1167191430.db2.gz KHMSARSGNHRYRN-UHFFFAOYSA-N -1 1 310.339 0.356 20 0 DCADMM COC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591271223 1167191437 /nfs/dbraw/zinc/19/14/37/1167191437.db2.gz KHMSARSGNHRYRN-UHFFFAOYSA-N -1 1 310.339 0.356 20 0 DCADMM COC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001591274078 1167194307 /nfs/dbraw/zinc/19/43/07/1167194307.db2.gz SMECKKZTVCWFNC-QMMMGPOBSA-N -1 1 304.314 0.299 20 0 DCADMM COC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001591274078 1167194325 /nfs/dbraw/zinc/19/43/25/1167194325.db2.gz SMECKKZTVCWFNC-QMMMGPOBSA-N -1 1 304.314 0.299 20 0 DCADMM COC(=O)[C@H]1[C@@H]2CN(c3cc(C)nc(-c4nnn[n-]4)c3)C[C@@H]21 ZINC001591282463 1167197868 /nfs/dbraw/zinc/19/78/68/1167197868.db2.gz XASLWZBDEKYQIF-IAZYJMLFSA-N -1 1 300.322 0.425 20 0 DCADMM COC(=O)[C@H]1[C@@H]2CN(c3cc(C)nc(-c4nn[n-]n4)c3)C[C@@H]21 ZINC001591282463 1167197875 /nfs/dbraw/zinc/19/78/75/1167197875.db2.gz XASLWZBDEKYQIF-IAZYJMLFSA-N -1 1 300.322 0.425 20 0 DCADMM COC(=O)c1c(C)nn(-c2oc(C)nc2-c2nn[n-]n2)c1C ZINC001591284843 1167201286 /nfs/dbraw/zinc/20/12/86/1167201286.db2.gz VAOSERMYIATHBN-UHFFFAOYSA-N -1 1 303.282 0.752 20 0 DCADMM COC(=O)c1ccc(N[C@H]2CCOC[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001591295454 1167202545 /nfs/dbraw/zinc/20/25/45/1167202545.db2.gz GSZFYMBIPWVKEF-IUCAKERBSA-N -1 1 318.337 0.885 20 0 DCADMM COC(=O)c1ccc(N[C@H]2CCOC[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001591295454 1167202548 /nfs/dbraw/zinc/20/25/48/1167202548.db2.gz GSZFYMBIPWVKEF-IUCAKERBSA-N -1 1 318.337 0.885 20 0 DCADMM COC(=O)c1ccc(NCC2(C)COC2)c(-c2nnn[n-]2)n1 ZINC001591296299 1167203009 /nfs/dbraw/zinc/20/30/09/1167203009.db2.gz SZSSMBZOSWELHG-UHFFFAOYSA-N -1 1 304.310 0.497 20 0 DCADMM COC(=O)c1ccc(NCC2(C)COC2)c(-c2nn[n-]n2)n1 ZINC001591296299 1167203017 /nfs/dbraw/zinc/20/30/17/1167203017.db2.gz SZSSMBZOSWELHG-UHFFFAOYSA-N -1 1 304.310 0.497 20 0 DCADMM COC(=O)c1ccc(N(C)[C@H]2CC[C@@H]2OC)c(-c2nnn[n-]2)n1 ZINC001591293897 1167203085 /nfs/dbraw/zinc/20/30/85/1167203085.db2.gz RJZOGQCLPRPMHT-ONGXEEELSA-N -1 1 318.337 0.662 20 0 DCADMM COC(=O)c1ccc(N(C)[C@H]2CC[C@@H]2OC)c(-c2nn[n-]n2)n1 ZINC001591293897 1167203093 /nfs/dbraw/zinc/20/30/93/1167203093.db2.gz RJZOGQCLPRPMHT-ONGXEEELSA-N -1 1 318.337 0.662 20 0 DCADMM COC(=O)c1ccc(N2CCOC[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001591294978 1167203667 /nfs/dbraw/zinc/20/36/67/1167203667.db2.gz OHSFJUPSWHWBLZ-SECBINFHSA-N -1 1 318.337 0.521 20 0 DCADMM COC(=O)c1ccc(N2CCOC[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001591294978 1167203672 /nfs/dbraw/zinc/20/36/72/1167203672.db2.gz OHSFJUPSWHWBLZ-SECBINFHSA-N -1 1 318.337 0.521 20 0 DCADMM COC(=O)c1coc(CNc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001591307915 1167205520 /nfs/dbraw/zinc/20/55/20/1167205520.db2.gz SOWGGMCRJYKEOW-UHFFFAOYSA-N -1 1 301.266 0.070 20 0 DCADMM COC(=O)c1coc(CNc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001591307915 1167205524 /nfs/dbraw/zinc/20/55/24/1167205524.db2.gz SOWGGMCRJYKEOW-UHFFFAOYSA-N -1 1 301.266 0.070 20 0 DCADMM CO[C@@]1(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CCOC1 ZINC001591342813 1167226350 /nfs/dbraw/zinc/22/63/50/1167226350.db2.gz RFXODMHXFMXRGK-CQSZACIVSA-N -1 1 321.312 0.541 20 0 DCADMM CO[C@@]1(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CCOC1 ZINC001591342813 1167226357 /nfs/dbraw/zinc/22/63/57/1167226357.db2.gz RFXODMHXFMXRGK-CQSZACIVSA-N -1 1 321.312 0.541 20 0 DCADMM CO[C@H]1CCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001591354725 1167230516 /nfs/dbraw/zinc/23/05/16/1167230516.db2.gz QSRMRSCVAOFFKH-QMMMGPOBSA-N -1 1 323.382 0.644 20 0 DCADMM CO[C@H]1CCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001591354725 1167230522 /nfs/dbraw/zinc/23/05/22/1167230522.db2.gz QSRMRSCVAOFFKH-QMMMGPOBSA-N -1 1 323.382 0.644 20 0 DCADMM CO[C@@H]1CCCN(NC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591355454 1167231207 /nfs/dbraw/zinc/23/12/07/1167231207.db2.gz XYTGIWZQFXWFBI-SECBINFHSA-N -1 1 306.326 0.524 20 0 DCADMM CO[C@@H]1CCCN(NC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591355454 1167231213 /nfs/dbraw/zinc/23/12/13/1167231213.db2.gz XYTGIWZQFXWFBI-SECBINFHSA-N -1 1 306.326 0.524 20 0 DCADMM CO[C@@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)[C@](C)(CO)C1 ZINC001591359631 1167232557 /nfs/dbraw/zinc/23/25/57/1167232557.db2.gz FTPUKENBHASTJG-ZANVPECISA-N -1 1 323.378 0.540 20 0 DCADMM COCC(=O)N[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001591367536 1167239667 /nfs/dbraw/zinc/23/96/67/1167239667.db2.gz MCLUNJKWENKDCP-LURJTMIESA-N -1 1 311.371 0.195 20 0 DCADMM COC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001591380222 1167250119 /nfs/dbraw/zinc/25/01/19/1167250119.db2.gz HEVKVMHAFADGBP-RYUDHWBXSA-N -1 1 318.337 0.186 20 0 DCADMM COC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001591380222 1167250124 /nfs/dbraw/zinc/25/01/24/1167250124.db2.gz HEVKVMHAFADGBP-RYUDHWBXSA-N -1 1 318.337 0.186 20 0 DCADMM COC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@@H]1CCCOC1 ZINC001591382028 1167251503 /nfs/dbraw/zinc/25/15/03/1167251503.db2.gz BUAICSRIZWOPJJ-MWLCHTKSSA-N -1 1 305.342 0.510 20 0 DCADMM COC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@@H]1CCCOC1 ZINC001591382028 1167251511 /nfs/dbraw/zinc/25/15/11/1167251511.db2.gz BUAICSRIZWOPJJ-MWLCHTKSSA-N -1 1 305.342 0.510 20 0 DCADMM COCC1(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CCC1 ZINC001591389174 1167256701 /nfs/dbraw/zinc/25/67/01/1167256701.db2.gz LQQRNESIYNZYEY-VIFPVBQESA-N -1 1 321.341 0.379 20 0 DCADMM COCC1(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC001591388899 1167256797 /nfs/dbraw/zinc/25/67/97/1167256797.db2.gz MKCZRVMDTTUUFP-VIFPVBQESA-N -1 1 320.357 0.095 20 0 DCADMM COC[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCO1 ZINC001591395819 1167264535 /nfs/dbraw/zinc/26/45/35/1167264535.db2.gz KNZGCVOTCVPVHR-LURJTMIESA-N -1 1 316.774 0.828 20 0 DCADMM COCCC1(C)CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591400704 1167270065 /nfs/dbraw/zinc/27/00/65/1167270065.db2.gz LYDPBEWEBPHIHS-UHFFFAOYSA-N -1 1 316.365 0.689 20 0 DCADMM COCCC1(C)CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591400704 1167270074 /nfs/dbraw/zinc/27/00/74/1167270074.db2.gz LYDPBEWEBPHIHS-UHFFFAOYSA-N -1 1 316.365 0.689 20 0 DCADMM COCCN(C)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1C ZINC001591421991 1167277374 /nfs/dbraw/zinc/27/73/74/1167277374.db2.gz OSQGAEYLMGYSHB-UHFFFAOYSA-N -1 1 304.314 0.338 20 0 DCADMM COCCN(C)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1C ZINC001591421991 1167277381 /nfs/dbraw/zinc/27/73/81/1167277381.db2.gz OSQGAEYLMGYSHB-UHFFFAOYSA-N -1 1 304.314 0.338 20 0 DCADMM CON(CC1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591465216 1167296043 /nfs/dbraw/zinc/29/60/43/1167296043.db2.gz QKCXDEZXVYUMNW-UHFFFAOYSA-N -1 1 307.310 0.890 20 0 DCADMM COc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(Cl)n1 ZINC001591574375 1167333440 /nfs/dbraw/zinc/33/34/40/1167333440.db2.gz BXRBKKYYUUXMGC-UHFFFAOYSA-N -1 1 320.700 0.391 20 0 DCADMM COc1cccnc1NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001591654866 1167341889 /nfs/dbraw/zinc/34/18/89/1167341889.db2.gz AKMOPYLBFQEKSF-UHFFFAOYSA-N -1 1 315.341 0.620 20 0 DCADMM COc1ncc(NC(=O)Nc2cc[nH]n2)cc1-c1nn[n-]n1 ZINC001591667332 1167345562 /nfs/dbraw/zinc/34/55/62/1167345562.db2.gz CXQMZDHGSZUVTP-UHFFFAOYSA-N -1 1 301.270 0.637 20 0 DCADMM COc1ncccc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001591668769 1167345778 /nfs/dbraw/zinc/34/57/78/1167345778.db2.gz VHMKCWBNNYZGEP-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1ncccc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001591668769 1167345782 /nfs/dbraw/zinc/34/57/82/1167345782.db2.gz VHMKCWBNNYZGEP-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001591673342 1167349327 /nfs/dbraw/zinc/34/93/27/1167349327.db2.gz JGUYARFAUNHUHQ-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001591673342 1167349329 /nfs/dbraw/zinc/34/93/29/1167349329.db2.gz JGUYARFAUNHUHQ-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM CS[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001591689535 1167353629 /nfs/dbraw/zinc/35/36/29/1167353629.db2.gz KKENBZAZLKMSGC-MRVPVSSYSA-N -1 1 324.414 0.352 20 0 DCADMM C[S@@](=O)C1(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591683767 1167354023 /nfs/dbraw/zinc/35/40/23/1167354023.db2.gz YXHUBCVREYVDES-JOCHJYFZSA-N -1 1 321.366 0.294 20 0 DCADMM C[S@@](=O)C1(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591683767 1167354026 /nfs/dbraw/zinc/35/40/26/1167354026.db2.gz YXHUBCVREYVDES-JOCHJYFZSA-N -1 1 321.366 0.294 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1C[C@@H]1C ZINC001591724831 1167362183 /nfs/dbraw/zinc/36/21/83/1167362183.db2.gz GITGZWQGCOMTST-CIUDSAMLSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1C[C@@H]1C ZINC001591724831 1167362191 /nfs/dbraw/zinc/36/21/91/1167362191.db2.gz GITGZWQGCOMTST-CIUDSAMLSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](C(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001591759932 1167368859 /nfs/dbraw/zinc/36/88/59/1167368859.db2.gz TVLCECSTVXPESK-JTQLQIEISA-N -1 1 312.337 0.378 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCCO ZINC001591787609 1167380704 /nfs/dbraw/zinc/38/07/04/1167380704.db2.gz INNGMAZDPVTLAF-UHFFFAOYSA-N -1 1 321.337 0.442 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CCC(C)(C)O2)nn1C ZINC001591799531 1167382705 /nfs/dbraw/zinc/38/27/05/1167382705.db2.gz UBAOMCHSSVRMAE-MRVPVSSYSA-N -1 1 305.342 0.805 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC(C)(C)O2)nn1C ZINC001591799531 1167382712 /nfs/dbraw/zinc/38/27/12/1167382712.db2.gz UBAOMCHSSVRMAE-MRVPVSSYSA-N -1 1 305.342 0.805 20 0 DCADMM Cc1c(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)cnn1C ZINC001591815898 1167385834 /nfs/dbraw/zinc/38/58/34/1167385834.db2.gz IBYMJSVXRIICKC-UHFFFAOYSA-N -1 1 312.337 0.163 20 0 DCADMM Cc1c(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)cnn1C ZINC001591815898 1167385840 /nfs/dbraw/zinc/38/58/40/1167385840.db2.gz IBYMJSVXRIICKC-UHFFFAOYSA-N -1 1 312.337 0.163 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ncnn2CC(C)C)c1 ZINC001591836967 1167389829 /nfs/dbraw/zinc/38/98/29/1167389829.db2.gz QHUBEODEXZGZOR-UHFFFAOYSA-N -1 1 314.353 0.633 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1ccoc1 ZINC001591835639 1167389888 /nfs/dbraw/zinc/38/98/88/1167389888.db2.gz NUKKDVQIZFSPOP-UHFFFAOYSA-N -1 1 300.278 0.799 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCOC(C)C ZINC001591835792 1167390085 /nfs/dbraw/zinc/39/00/85/1167390085.db2.gz UMEHLZAWQHDEPP-UHFFFAOYSA-N -1 1 306.326 0.431 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H](C)C(=O)NC(C)(C)C)n1 ZINC001591883103 1167408958 /nfs/dbraw/zinc/40/89/58/1167408958.db2.gz SOAGZYLOPTZZKK-SECBINFHSA-N -1 1 318.385 0.705 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H](C)C(=O)NC(C)(C)C)n1 ZINC001591883103 1167408964 /nfs/dbraw/zinc/40/89/64/1167408964.db2.gz SOAGZYLOPTZZKK-SECBINFHSA-N -1 1 318.385 0.705 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCOCC(F)(F)F)n1 ZINC001591899765 1167412664 /nfs/dbraw/zinc/41/26/64/1167412664.db2.gz WSTBFCXGCZQBLY-UHFFFAOYSA-N -1 1 303.248 0.956 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCOCC(F)(F)F)n1 ZINC001591899765 1167412668 /nfs/dbraw/zinc/41/26/68/1167412668.db2.gz WSTBFCXGCZQBLY-UHFFFAOYSA-N -1 1 303.248 0.956 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCc3nnn(C)c3C2)n1 ZINC001591893604 1167412918 /nfs/dbraw/zinc/41/29/18/1167412918.db2.gz KOBMSKKQOPXBML-QMMMGPOBSA-N -1 1 312.341 0.063 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCc3nnn(C)c3C2)n1 ZINC001591893604 1167412921 /nfs/dbraw/zinc/41/29/21/1167412921.db2.gz KOBMSKKQOPXBML-QMMMGPOBSA-N -1 1 312.341 0.063 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC(=O)NC2CCCCC2)n1 ZINC001591894032 1167413771 /nfs/dbraw/zinc/41/37/71/1167413771.db2.gz XFDOORNMKLIYFC-UHFFFAOYSA-N -1 1 316.369 0.826 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC(=O)NC2CCCCC2)n1 ZINC001591894032 1167413776 /nfs/dbraw/zinc/41/37/76/1167413776.db2.gz XFDOORNMKLIYFC-UHFFFAOYSA-N -1 1 316.369 0.826 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1nc(C)cc(=O)[nH]1 ZINC001591903624 1167416892 /nfs/dbraw/zinc/41/68/92/1167416892.db2.gz MDHRPUBOXDKMDW-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1nc(C)cc(=O)[nH]1 ZINC001591903624 1167416896 /nfs/dbraw/zinc/41/68/96/1167416896.db2.gz MDHRPUBOXDKMDW-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM Cc1cc(C)n(CC(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)n1 ZINC001591956168 1167425920 /nfs/dbraw/zinc/42/59/20/1167425920.db2.gz IFXSGKIMJUYLRV-UHFFFAOYSA-N -1 1 315.341 0.361 20 0 DCADMM Cc1cc(C)n(CC(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)n1 ZINC001591956168 1167425925 /nfs/dbraw/zinc/42/59/25/1167425925.db2.gz IFXSGKIMJUYLRV-UHFFFAOYSA-N -1 1 315.341 0.361 20 0 DCADMM Cc1cc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)no1 ZINC001591963238 1167426360 /nfs/dbraw/zinc/42/63/60/1167426360.db2.gz VNAQEFBVYDCGMH-UHFFFAOYSA-N -1 1 324.322 0.577 20 0 DCADMM Cc1cc(N2C[C@H](C)O[C@@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001591999631 1167431982 /nfs/dbraw/zinc/43/19/82/1167431982.db2.gz RCYWFFGYFJJNSH-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(N2C[C@H](C)O[C@@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001591999631 1167431984 /nfs/dbraw/zinc/43/19/84/1167431984.db2.gz RCYWFFGYFJJNSH-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(N2CCC(CC(N)=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001591999080 1167432979 /nfs/dbraw/zinc/43/29/79/1167432979.db2.gz FDVGJVZZDBMSIT-UHFFFAOYSA-N -1 1 301.354 0.662 20 0 DCADMM Cc1cc(N2CCC(CC(N)=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001591999080 1167432982 /nfs/dbraw/zinc/43/29/82/1167432982.db2.gz FDVGJVZZDBMSIT-UHFFFAOYSA-N -1 1 301.354 0.662 20 0 DCADMM Cc1cc(N2CCN(CC(F)F)CC2)cc(-c2nnn[n-]2)n1 ZINC001592007644 1167434828 /nfs/dbraw/zinc/43/48/28/1167434828.db2.gz BBMQAQSNFNWNRM-UHFFFAOYSA-N -1 1 309.324 0.957 20 0 DCADMM Cc1cc(N2CCN(CC(F)F)CC2)cc(-c2nn[n-]n2)n1 ZINC001592007644 1167434829 /nfs/dbraw/zinc/43/48/29/1167434829.db2.gz BBMQAQSNFNWNRM-UHFFFAOYSA-N -1 1 309.324 0.957 20 0 DCADMM Cc1cc(NC(=O)CN(C)c2cnc(-c3nnn[n-]3)cn2)no1 ZINC001592017206 1167436577 /nfs/dbraw/zinc/43/65/77/1167436577.db2.gz LAXYHCTYFIOZRG-UHFFFAOYSA-N -1 1 315.297 0.028 20 0 DCADMM Cc1cc(NC(=O)CN(C)c2cnc(-c3nn[n-]n3)cn2)no1 ZINC001592017206 1167436584 /nfs/dbraw/zinc/43/65/84/1167436584.db2.gz LAXYHCTYFIOZRG-UHFFFAOYSA-N -1 1 315.297 0.028 20 0 DCADMM Cc1cc(OCC(=O)OCc2nc(-c3nnn[n-]3)cs2)no1 ZINC001592058819 1167447235 /nfs/dbraw/zinc/44/72/35/1167447235.db2.gz IRUDZRRNDAZMMY-UHFFFAOYSA-N -1 1 322.306 0.742 20 0 DCADMM Cc1cc(OCC(=O)OCc2nc(-c3nn[n-]n3)cs2)no1 ZINC001592058819 1167447237 /nfs/dbraw/zinc/44/72/37/1167447237.db2.gz IRUDZRRNDAZMMY-UHFFFAOYSA-N -1 1 322.306 0.742 20 0 DCADMM Cc1ccc(C(=O)NCCNc2ncncc2-c2nn[n-]n2)cc1 ZINC001592127739 1167461316 /nfs/dbraw/zinc/46/13/16/1167461316.db2.gz QYIKQOMMVMKQMO-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1ccc([C@H](O)CNC(=O)c2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592137783 1167462812 /nfs/dbraw/zinc/46/28/12/1167462812.db2.gz OENFSOQKIVFURH-LLVKDONJSA-N -1 1 314.305 0.627 20 0 DCADMM Cc1ccc([C@H](O)CNC(=O)c2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592137783 1167462816 /nfs/dbraw/zinc/46/28/16/1167462816.db2.gz OENFSOQKIVFURH-LLVKDONJSA-N -1 1 314.305 0.627 20 0 DCADMM Cc1ccc(N2CCC(OCCO)CC2)nc1-c1nnn[n-]1 ZINC001592177609 1167471395 /nfs/dbraw/zinc/47/13/95/1167471395.db2.gz CJWYVHPJSUDIQR-UHFFFAOYSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1ccc(N2CCC(OCCO)CC2)nc1-c1nn[n-]n1 ZINC001592177609 1167471399 /nfs/dbraw/zinc/47/13/99/1167471399.db2.gz CJWYVHPJSUDIQR-UHFFFAOYSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1ccc(N2CCO[C@@]3(CCO[C@H]3C)C2)c(-c2nnn[n-]2)n1 ZINC001592176660 1167471457 /nfs/dbraw/zinc/47/14/57/1167471457.db2.gz UEEGSNIFZGDEBW-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@@]3(CCO[C@H]3C)C2)c(-c2nn[n-]n2)n1 ZINC001592176660 1167471460 /nfs/dbraw/zinc/47/14/60/1167471460.db2.gz UEEGSNIFZGDEBW-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)nc1-c1nnn[n-]1 ZINC001592183897 1167474133 /nfs/dbraw/zinc/47/41/33/1167474133.db2.gz LSLPDZBVGBPGRP-ZJUUUORDSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1ccc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)nc1-c1nn[n-]n1 ZINC001592183897 1167474137 /nfs/dbraw/zinc/47/41/37/1167474137.db2.gz LSLPDZBVGBPGRP-ZJUUUORDSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1cccc(N(C)C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592232893 1167478199 /nfs/dbraw/zinc/47/81/99/1167478199.db2.gz RRDMXKRRMWCJPA-SNVBAGLBSA-N -1 1 312.337 0.991 20 0 DCADMM Cc1cccc(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592231045 1167479031 /nfs/dbraw/zinc/47/90/31/1167479031.db2.gz FEKCTWGHIMTXPG-JTQLQIEISA-N -1 1 312.337 0.644 20 0 DCADMM Cc1ccn(CC(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)n1 ZINC001592265385 1167480112 /nfs/dbraw/zinc/48/01/12/1167480112.db2.gz VEVIPYSBIPTELU-UHFFFAOYSA-N -1 1 324.348 0.746 20 0 DCADMM Cc1ccn(CC(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)n1 ZINC001592265385 1167480118 /nfs/dbraw/zinc/48/01/18/1167480118.db2.gz VEVIPYSBIPTELU-UHFFFAOYSA-N -1 1 324.348 0.746 20 0 DCADMM Cc1ccn(CN2CCC3(CCO3)CC2)c(=O)c1-c1nn[n-]n1 ZINC001592267274 1167480788 /nfs/dbraw/zinc/48/07/88/1167480788.db2.gz NYHKWYJIGBKIRH-UHFFFAOYSA-N -1 1 316.365 0.549 20 0 DCADMM Cc1ccn(C[C@H](C)C(=O)Nc2c[nH]nc2-c2nn[n-]n2)n1 ZINC001592265846 1167481003 /nfs/dbraw/zinc/48/10/03/1167481003.db2.gz JQMITZUZWGBNSP-ZETCQYMHSA-N -1 1 301.314 0.370 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)Cc2cnccc2C)nn1C ZINC001592278965 1167482180 /nfs/dbraw/zinc/48/21/80/1167482180.db2.gz ULKMZFPDIMIVOD-UHFFFAOYSA-N -1 1 312.337 0.793 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)Cc2cnccc2C)nn1C ZINC001592278965 1167482183 /nfs/dbraw/zinc/48/21/83/1167482183.db2.gz ULKMZFPDIMIVOD-UHFFFAOYSA-N -1 1 312.337 0.793 20 0 DCADMM Cc1cn2c(nc(Cn3ccnc3-c3nnn[n-]3)cc2=O)s1 ZINC001592287199 1167485741 /nfs/dbraw/zinc/48/57/41/1167485741.db2.gz ARRDDVSJIPGIFY-UHFFFAOYSA-N -1 1 314.334 0.489 20 0 DCADMM Cc1cn2c(nc(Cn3ccnc3-c3nn[n-]n3)cc2=O)s1 ZINC001592287199 1167485742 /nfs/dbraw/zinc/48/57/42/1167485742.db2.gz ARRDDVSJIPGIFY-UHFFFAOYSA-N -1 1 314.334 0.489 20 0 DCADMM Cc1csc(=O)n1CCOc1cnc(-c2nn[n-]n2)nc1 ZINC001592312633 1167487104 /nfs/dbraw/zinc/48/71/04/1167487104.db2.gz QMTCAIADHGYDSP-UHFFFAOYSA-N -1 1 305.323 0.267 20 0 DCADMM Cc1[nH]nc(NC(=O)CCC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001592328468 1167488212 /nfs/dbraw/zinc/48/82/12/1167488212.db2.gz TUBVXNHZPMVREY-UHFFFAOYSA-N -1 1 321.341 0.959 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccc3nccn3c2)c1-c1nn[n-]n1 ZINC001592332623 1167491671 /nfs/dbraw/zinc/49/16/71/1167491671.db2.gz LFARAYMBTXXAQW-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)[C@@H](CO)COC(C)C)n1 ZINC001592338997 1167493331 /nfs/dbraw/zinc/49/33/31/1167493331.db2.gz VVFYACQTIRHABT-JTQLQIEISA-N -1 1 307.358 0.187 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)[C@@H](CO)COC(C)C)n1 ZINC001592338997 1167493336 /nfs/dbraw/zinc/49/33/36/1167493336.db2.gz VVFYACQTIRHABT-JTQLQIEISA-N -1 1 307.358 0.187 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(O)(c3ccccc3)C2)n1 ZINC001592337285 1167493492 /nfs/dbraw/zinc/49/34/92/1167493492.db2.gz DRTAZETVAXKDHP-UHFFFAOYSA-N -1 1 309.333 0.673 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(O)(c3ccccc3)C2)n1 ZINC001592337285 1167493495 /nfs/dbraw/zinc/49/34/95/1167493495.db2.gz DRTAZETVAXKDHP-UHFFFAOYSA-N -1 1 309.333 0.673 20 0 DCADMM Cc1nccnc1N1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001592420305 1167517529 /nfs/dbraw/zinc/51/75/29/1167517529.db2.gz YQHRCRBTYJQWJW-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1nccnc1N1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001592420305 1167517535 /nfs/dbraw/zinc/51/75/35/1167517535.db2.gz YQHRCRBTYJQWJW-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)c1-c1nnn[n-]1 ZINC001592442199 1167524002 /nfs/dbraw/zinc/52/40/02/1167524002.db2.gz JAGCTXAEWJGZAI-BWVDBABLSA-N -1 1 305.342 0.661 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)c1-c1nn[n-]n1 ZINC001592442199 1167524012 /nfs/dbraw/zinc/52/40/12/1167524012.db2.gz JAGCTXAEWJGZAI-BWVDBABLSA-N -1 1 305.342 0.661 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@@H](CO)[C@@H]2C)c1-c1nnn[n-]1 ZINC001592479947 1167535576 /nfs/dbraw/zinc/53/55/76/1167535576.db2.gz RNPJBYLXXFCZSI-YUMQZZPRSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@@H](CO)[C@@H]2C)c1-c1nn[n-]n1 ZINC001592479947 1167535579 /nfs/dbraw/zinc/53/55/79/1167535579.db2.gz RNPJBYLXXFCZSI-YUMQZZPRSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC[C@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC001592489219 1167537244 /nfs/dbraw/zinc/53/72/44/1167537244.db2.gz MWMBPYILIFMPIV-SSDOTTSWSA-N -1 1 314.396 0.478 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)[C@H]1CCOC1 ZINC001592502674 1167542645 /nfs/dbraw/zinc/54/26/45/1167542645.db2.gz VGDIUFREUIYRNS-QMMMGPOBSA-N -1 1 306.278 0.531 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)[C@H]1CCOC1 ZINC001592502674 1167542650 /nfs/dbraw/zinc/54/26/50/1167542650.db2.gz VGDIUFREUIYRNS-QMMMGPOBSA-N -1 1 306.278 0.531 20 0 DCADMM Cc1onc(CC(=O)N2CCOCC23CC3)c1-c1nnn[n-]1 ZINC001592515682 1167545057 /nfs/dbraw/zinc/54/50/57/1167545057.db2.gz IYOCVFCGLGXEKV-UHFFFAOYSA-N -1 1 304.310 0.097 20 0 DCADMM Cc1onc(CC(=O)N2CCOCC23CC3)c1-c1nn[n-]n1 ZINC001592515682 1167545063 /nfs/dbraw/zinc/54/50/63/1167545063.db2.gz IYOCVFCGLGXEKV-UHFFFAOYSA-N -1 1 304.310 0.097 20 0 DCADMM Clc1sc(NC2COCCOC2)nc1-c1nn[n-]n1 ZINC001592543820 1167550529 /nfs/dbraw/zinc/55/05/29/1167550529.db2.gz QWOCGPIRUSYAQT-UHFFFAOYSA-N -1 1 302.747 0.804 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnc(Cl)cn2)n1 ZINC001592559728 1167560619 /nfs/dbraw/zinc/56/06/19/1167560619.db2.gz BSOGLDCZWARCNG-UHFFFAOYSA-N -1 1 305.689 0.296 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnc(Cl)cn2)n1 ZINC001592559728 1167560625 /nfs/dbraw/zinc/56/06/25/1167560625.db2.gz BSOGLDCZWARCNG-UHFFFAOYSA-N -1 1 305.689 0.296 20 0 DCADMM Cn1ccc(CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001592579176 1167567913 /nfs/dbraw/zinc/56/79/13/1167567913.db2.gz RPRUFTFBAAQJPC-UHFFFAOYSA-N -1 1 324.757 0.891 20 0 DCADMM Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592577523 1167567933 /nfs/dbraw/zinc/56/79/33/1167567933.db2.gz FMWRNSCBNSBVPW-SSDOTTSWSA-N -1 1 313.325 0.382 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592591093 1167572622 /nfs/dbraw/zinc/57/26/22/1167572622.db2.gz LHFTVHLXUXAFFJ-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592591093 1167572631 /nfs/dbraw/zinc/57/26/31/1167572631.db2.gz LHFTVHLXUXAFFJ-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1[nH]c(=O)c2c1CN(C(=O)c1ccc(-c3nn[n-]n3)o1)CC2 ZINC001592595373 1167575881 /nfs/dbraw/zinc/57/58/81/1167575881.db2.gz XMSRFEWHHIISKE-UHFFFAOYSA-N -1 1 315.293 0.097 20 0 DCADMM Cn1nncc1CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592611448 1167585486 /nfs/dbraw/zinc/58/54/86/1167585486.db2.gz GVEQPEGQTBYXGB-UHFFFAOYSA-N -1 1 323.320 0.407 20 0 DCADMM Fc1ccc2c(c1)OC[C@H](Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001592655506 1167592054 /nfs/dbraw/zinc/59/20/54/1167592054.db2.gz WSJGWLMUGZTINN-SNVBAGLBSA-N -1 1 313.296 0.633 20 0 DCADMM NC(=O)C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592729549 1167618611 /nfs/dbraw/zinc/61/86/11/1167618611.db2.gz BFQDLADTUVDDNO-LBPRGKRZSA-N -1 1 309.333 0.712 20 0 DCADMM NC(=O)C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592729549 1167618613 /nfs/dbraw/zinc/61/86/13/1167618613.db2.gz BFQDLADTUVDDNO-LBPRGKRZSA-N -1 1 309.333 0.712 20 0 DCADMM NC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001592731741 1167620510 /nfs/dbraw/zinc/62/05/10/1167620510.db2.gz LQKYWQGSXJCBLJ-BYPYZUCNSA-N -1 1 314.762 0.224 20 0 DCADMM NC(=O)c1c[nH]c(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001592734405 1167621279 /nfs/dbraw/zinc/62/12/79/1167621279.db2.gz JQSZOQYVXVLDHZ-UHFFFAOYSA-N -1 1 317.334 0.285 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1coc2c1C(=O)CCC2 ZINC001592753356 1167630956 /nfs/dbraw/zinc/63/09/56/1167630956.db2.gz VXNQDQWXZMQZCC-UHFFFAOYSA-N -1 1 313.277 0.446 20 0 DCADMM Nc1cc(C2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)[nH]n1 ZINC001592758364 1167636609 /nfs/dbraw/zinc/63/66/09/1167636609.db2.gz BKLCPZJQBXYDBA-UHFFFAOYSA-N -1 1 311.353 0.951 20 0 DCADMM Nc1cc(C2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)[nH]n1 ZINC001592758364 1167636616 /nfs/dbraw/zinc/63/66/16/1167636616.db2.gz BKLCPZJQBXYDBA-UHFFFAOYSA-N -1 1 311.353 0.951 20 0 DCADMM O=C(CC(C1CC1)C1CC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592802441 1167645112 /nfs/dbraw/zinc/64/51/12/1167645112.db2.gz AJHVGACINCUFJL-UHFFFAOYSA-N -1 1 316.369 0.401 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC[C@@H]1CC1(F)F ZINC001592913772 1167663683 /nfs/dbraw/zinc/66/36/83/1167663683.db2.gz GWECJNCDKMGTRF-SECBINFHSA-N -1 1 308.292 0.966 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC[C@@H]1CC1(F)F ZINC001592913772 1167663685 /nfs/dbraw/zinc/66/36/85/1167663685.db2.gz GWECJNCDKMGTRF-SECBINFHSA-N -1 1 308.292 0.966 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCC1CC(F)(F)C1 ZINC001592940868 1167670405 /nfs/dbraw/zinc/67/04/05/1167670405.db2.gz FZVBHKMVRMCWMU-UHFFFAOYSA-N -1 1 312.284 0.010 20 0 DCADMM O=C(N[C@H](CO)C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC001592953215 1167672190 /nfs/dbraw/zinc/67/21/90/1167672190.db2.gz CGLYPOJZNPXXGR-DTWKUNHWSA-N -1 1 323.378 0.588 20 0 DCADMM O=C(N[C@H](CO)C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC001592953215 1167672193 /nfs/dbraw/zinc/67/21/93/1167672193.db2.gz CGLYPOJZNPXXGR-DTWKUNHWSA-N -1 1 323.378 0.588 20 0 DCADMM O=C(N[C@H](CO)C[C@@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001592953860 1167673895 /nfs/dbraw/zinc/67/38/95/1167673895.db2.gz QOKUOVNTRNBULC-UWVGGRQHSA-N -1 1 323.378 0.588 20 0 DCADMM O=C(N[C@@H]1CC12CC(O)C2)c1cccc(F)c1-c1nnn[n-]1 ZINC001592966891 1167676170 /nfs/dbraw/zinc/67/61/70/1167676170.db2.gz MBHANYRGLQSSST-MAOXSZOYSA-N -1 1 303.297 0.649 20 0 DCADMM O=C(N[C@@H]1CC12CC(O)C2)c1cccc(F)c1-c1nn[n-]n1 ZINC001592966891 1167676175 /nfs/dbraw/zinc/67/61/75/1167676175.db2.gz MBHANYRGLQSSST-MAOXSZOYSA-N -1 1 303.297 0.649 20 0 DCADMM O=C(NC[C@H](CO)Cc1ccoc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593006764 1167686299 /nfs/dbraw/zinc/68/62/99/1167686299.db2.gz RTGGNXGDMOJXFJ-SNVBAGLBSA-N -1 1 317.305 0.634 20 0 DCADMM O=C(NC[C@H](CO)Cc1ccoc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593006764 1167686304 /nfs/dbraw/zinc/68/63/04/1167686304.db2.gz RTGGNXGDMOJXFJ-SNVBAGLBSA-N -1 1 317.305 0.634 20 0 DCADMM O=C(NC[C@@H]1CC[C@H](O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593030816 1167690737 /nfs/dbraw/zinc/69/07/37/1167690737.db2.gz XIMBJMSECSOXAJ-BDAKNGLRSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NC[C@@H]1CC[C@H](O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593030816 1167690741 /nfs/dbraw/zinc/69/07/41/1167690741.db2.gz XIMBJMSECSOXAJ-BDAKNGLRSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NC[C@H]1CC[C@H](C2CC2)O1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593030024 1167691073 /nfs/dbraw/zinc/69/10/73/1167691073.db2.gz KOZAJEBTBIREIZ-DGCLKSJQSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@H]1CC[C@H](C2CC2)O1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593030024 1167691080 /nfs/dbraw/zinc/69/10/80/1167691080.db2.gz KOZAJEBTBIREIZ-DGCLKSJQSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NCCC(F)F)NCc1nc(-c2nnn[n-]2)cs1 ZINC001593057665 1167694787 /nfs/dbraw/zinc/69/47/87/1167694787.db2.gz YKAUDVIMCLFFLE-UHFFFAOYSA-N -1 1 303.298 0.778 20 0 DCADMM O=C(NCCC(F)F)NCc1nc(-c2nn[n-]n2)cs1 ZINC001593057665 1167694791 /nfs/dbraw/zinc/69/47/91/1167694791.db2.gz YKAUDVIMCLFFLE-UHFFFAOYSA-N -1 1 303.298 0.778 20 0 DCADMM O=C(NCCC1=CCCC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001593059319 1167695277 /nfs/dbraw/zinc/69/52/77/1167695277.db2.gz BLHXHRITAGRMOM-UHFFFAOYSA-N -1 1 317.357 0.258 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)[C@@H]1CC[C@@H](F)C1 ZINC001593095620 1167705789 /nfs/dbraw/zinc/70/57/89/1167705789.db2.gz IRQBRMQSAODPPX-RKDXNWHRSA-N -1 1 320.332 0.323 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)[C@@H]1CC[C@@H](F)C1 ZINC001593095620 1167705793 /nfs/dbraw/zinc/70/57/93/1167705793.db2.gz IRQBRMQSAODPPX-RKDXNWHRSA-N -1 1 320.332 0.323 20 0 DCADMM O=C(NC[C@@H]1CCCC[C@H]1O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593111053 1167710612 /nfs/dbraw/zinc/71/06/12/1167710612.db2.gz IEWCAVYNRVXBCG-GXSJLCMTSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(NC[C@@H]1CCCC[C@H]1O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593111053 1167710623 /nfs/dbraw/zinc/71/06/23/1167710623.db2.gz IEWCAVYNRVXBCG-GXSJLCMTSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1cc2ccccc2o1 ZINC001593112955 1167713226 /nfs/dbraw/zinc/71/32/26/1167713226.db2.gz UNKBZTQZDNCWGA-UHFFFAOYSA-N -1 1 324.304 0.634 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc[nH]c1=O ZINC001593136986 1167721817 /nfs/dbraw/zinc/72/18/17/1167721817.db2.gz LPKILVWIODQVMB-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)Nc1cnns1 ZINC001593151809 1167725424 /nfs/dbraw/zinc/72/54/24/1167725424.db2.gz FBGGSRVIGYMMFN-UHFFFAOYSA-N -1 1 309.340 0.496 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)Nc1cnns1 ZINC001593151809 1167725432 /nfs/dbraw/zinc/72/54/32/1167725432.db2.gz FBGGSRVIGYMMFN-UHFFFAOYSA-N -1 1 309.340 0.496 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)C1(C(=O)C2CC2)CC1 ZINC001593149345 1167727545 /nfs/dbraw/zinc/72/75/45/1167727545.db2.gz OPAGFPUGLZGJSB-UHFFFAOYSA-N -1 1 318.362 0.699 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)C1(C(=O)C2CC2)CC1 ZINC001593149345 1167727554 /nfs/dbraw/zinc/72/75/54/1167727554.db2.gz OPAGFPUGLZGJSB-UHFFFAOYSA-N -1 1 318.362 0.699 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@H]1CC12CC(O)C2 ZINC001593151206 1167727603 /nfs/dbraw/zinc/72/76/03/1167727603.db2.gz REAWAXOVIISPLM-XMDDQKSNSA-N -1 1 321.366 0.036 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@H]1CC12CC(O)C2 ZINC001593151206 1167727610 /nfs/dbraw/zinc/72/76/10/1167727610.db2.gz REAWAXOVIISPLM-XMDDQKSNSA-N -1 1 321.366 0.036 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CCOC2(CCC2)C1 ZINC001593197155 1167735662 /nfs/dbraw/zinc/73/56/62/1167735662.db2.gz FZOCYRZBUSNDPE-QMMMGPOBSA-N -1 1 303.326 0.878 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CCOC2(CCC2)C1 ZINC001593197155 1167735670 /nfs/dbraw/zinc/73/56/70/1167735670.db2.gz FZOCYRZBUSNDPE-QMMMGPOBSA-N -1 1 303.326 0.878 20 0 DCADMM O=C([N-]c1n[nH]c(-c2cccc(-c3nn[nH]n3)c2)n1)c1cocn1 ZINC001593259414 1167746930 /nfs/dbraw/zinc/74/69/30/1167746930.db2.gz BNLSJJPXCIDJSK-UHFFFAOYSA-N -1 1 323.276 0.892 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001593255775 1167746992 /nfs/dbraw/zinc/74/69/92/1167746992.db2.gz KLTRJMDDCJVXHJ-IQJOONFLSA-N -1 1 301.310 0.703 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001593255775 1167746997 /nfs/dbraw/zinc/74/69/97/1167746997.db2.gz KLTRJMDDCJVXHJ-IQJOONFLSA-N -1 1 301.310 0.703 20 0 DCADMM O=C(Nc1cnc2n[nH]cc2c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593258929 1167747802 /nfs/dbraw/zinc/74/78/02/1167747802.db2.gz XQTGOTLOTIDGHX-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1cnc2n[nH]cc2c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593258929 1167747808 /nfs/dbraw/zinc/74/78/08/1167747808.db2.gz XQTGOTLOTIDGHX-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nn1cc(Br)cn1)c1coc(-c2nnn[n-]2)c1 ZINC001593272465 1167750108 /nfs/dbraw/zinc/75/01/08/1167750108.db2.gz WOUNRXSNESHRAU-UHFFFAOYSA-N -1 1 324.098 0.803 20 0 DCADMM O=C(Nn1cc(Br)cn1)c1coc(-c2nn[n-]n2)c1 ZINC001593272465 1167750113 /nfs/dbraw/zinc/75/01/13/1167750113.db2.gz WOUNRXSNESHRAU-UHFFFAOYSA-N -1 1 324.098 0.803 20 0 DCADMM O=C(OCCOC1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593290061 1167761799 /nfs/dbraw/zinc/76/17/99/1167761799.db2.gz DWVJMPDSBZTSSL-UHFFFAOYSA-N -1 1 319.321 0.614 20 0 DCADMM O=C(OCCOC1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593290061 1167761806 /nfs/dbraw/zinc/76/18/06/1167761806.db2.gz DWVJMPDSBZTSSL-UHFFFAOYSA-N -1 1 319.321 0.614 20 0 DCADMM O=C(OCC[C@@H]1CCOC1=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001593287474 1167762041 /nfs/dbraw/zinc/76/20/41/1167762041.db2.gz LRPSFMGEBFWDDI-QMMMGPOBSA-N -1 1 303.278 0.372 20 0 DCADMM O=C(OCC[C@@H]1CCOC1=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001593287474 1167762048 /nfs/dbraw/zinc/76/20/48/1167762048.db2.gz LRPSFMGEBFWDDI-QMMMGPOBSA-N -1 1 303.278 0.372 20 0 DCADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001593307028 1167766606 /nfs/dbraw/zinc/76/66/06/1167766606.db2.gz KMOGMRSFDCECAI-RNJXMRFFSA-N -1 1 319.346 0.982 20 0 DCADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001593307028 1167766612 /nfs/dbraw/zinc/76/66/12/1167766612.db2.gz KMOGMRSFDCECAI-RNJXMRFFSA-N -1 1 319.346 0.982 20 0 DCADMM O=C(c1ccc(-c2nn[nH]n2)cc1)N1CC[NH2+]C[C@H]1C(F)F ZINC001593336645 1167779236 /nfs/dbraw/zinc/77/92/36/1167779236.db2.gz YXIYTBDKLSNHHG-JTQLQIEISA-N -1 1 308.292 0.546 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H](C2OCCO2)C1 ZINC001593341868 1167783404 /nfs/dbraw/zinc/78/34/04/1167783404.db2.gz ZXBZWAPGSBMVIP-MRVPVSSYSA-N -1 1 305.294 0.295 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H](C2OCCO2)C1 ZINC001593341868 1167783411 /nfs/dbraw/zinc/78/34/11/1167783411.db2.gz ZXBZWAPGSBMVIP-MRVPVSSYSA-N -1 1 305.294 0.295 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@@H](CF)C1 ZINC001593350900 1167783775 /nfs/dbraw/zinc/78/37/75/1167783775.db2.gz YBNXFVGSEKASBA-QMMMGPOBSA-N -1 1 309.276 0.816 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@@H](CF)C1 ZINC001593350900 1167783786 /nfs/dbraw/zinc/78/37/86/1167783786.db2.gz YBNXFVGSEKASBA-QMMMGPOBSA-N -1 1 309.276 0.816 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001593348675 1167785145 /nfs/dbraw/zinc/78/51/45/1167785145.db2.gz KQITXQWPTBJSRP-XXILOJSOSA-N -1 1 300.322 0.247 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001593348675 1167785152 /nfs/dbraw/zinc/78/51/52/1167785152.db2.gz KQITXQWPTBJSRP-XXILOJSOSA-N -1 1 300.322 0.247 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC001593358771 1167785276 /nfs/dbraw/zinc/78/52/76/1167785276.db2.gz OAJNTYBIQSAPJX-RYUDHWBXSA-N -1 1 314.349 0.760 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC001593358771 1167785283 /nfs/dbraw/zinc/78/52/83/1167785283.db2.gz OAJNTYBIQSAPJX-RYUDHWBXSA-N -1 1 314.349 0.760 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCc2c[nH]nc2C1 ZINC001593370309 1167791978 /nfs/dbraw/zinc/79/19/78/1167791978.db2.gz VGFVKGVDTAKMHD-UHFFFAOYSA-N -1 1 301.335 0.850 20 0 DCADMM O=C(C[C@H]1CCCC(=O)N1)OCc1cccnc1-c1nnn[n-]1 ZINC001593393529 1167807186 /nfs/dbraw/zinc/80/71/86/1167807186.db2.gz KEIXKQUYTHDLAR-SNVBAGLBSA-N -1 1 316.321 0.364 20 0 DCADMM O=C(C[C@H]1CCCC(=O)N1)OCc1cccnc1-c1nn[n-]n1 ZINC001593393529 1167807197 /nfs/dbraw/zinc/80/71/97/1167807197.db2.gz KEIXKQUYTHDLAR-SNVBAGLBSA-N -1 1 316.321 0.364 20 0 DCADMM O=C1CN(c2cc(-c3nnn[n-]3)ncn2)CCN1c1ccccc1 ZINC001593399660 1167809474 /nfs/dbraw/zinc/80/94/74/1167809474.db2.gz NRLCAOYDWCOQQV-UHFFFAOYSA-N -1 1 322.332 0.510 20 0 DCADMM O=C1CN(c2cc(-c3nn[n-]n3)ncn2)CCN1c1ccccc1 ZINC001593399660 1167809482 /nfs/dbraw/zinc/80/94/82/1167809482.db2.gz NRLCAOYDWCOQQV-UHFFFAOYSA-N -1 1 322.332 0.510 20 0 DCADMM O=C1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CN1C1CC1 ZINC001593399419 1167809506 /nfs/dbraw/zinc/80/95/06/1167809506.db2.gz HDJPOBFCIOWXKF-UHFFFAOYSA-N -1 1 312.337 0.303 20 0 DCADMM O=C1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CN1C1CC1 ZINC001593399419 1167809521 /nfs/dbraw/zinc/80/95/21/1167809521.db2.gz HDJPOBFCIOWXKF-UHFFFAOYSA-N -1 1 312.337 0.303 20 0 DCADMM O=C1N[C@H](CC2CC2)C(=O)N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593402195 1167817641 /nfs/dbraw/zinc/81/76/41/1167817641.db2.gz KFURFVLVAHWOES-SSDOTTSWSA-N -1 1 319.350 0.544 20 0 DCADMM O=C1N[C@H](CC2CC2)C(=O)N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593402195 1167817649 /nfs/dbraw/zinc/81/76/49/1167817649.db2.gz KFURFVLVAHWOES-SSDOTTSWSA-N -1 1 319.350 0.544 20 0 DCADMM O=C1N[C@@H]2CN(Cc3nc(-c4nnn[n-]4)cs3)CC[C@H]2CO1 ZINC001593410173 1167819039 /nfs/dbraw/zinc/81/90/39/1167819039.db2.gz GNUCIXYIYPAUES-JGVFFNPUSA-N -1 1 321.366 0.254 20 0 DCADMM O=C1N[C@@H]2CN(Cc3nc(-c4nn[n-]n4)cs3)CC[C@H]2CO1 ZINC001593410173 1167819051 /nfs/dbraw/zinc/81/90/51/1167819051.db2.gz GNUCIXYIYPAUES-JGVFFNPUSA-N -1 1 321.366 0.254 20 0 DCADMM O=S(=O)(NCCCF)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593438016 1167841338 /nfs/dbraw/zinc/84/13/38/1167841338.db2.gz TTYRMTWHQOYCHU-UHFFFAOYSA-N -1 1 303.294 0.644 20 0 DCADMM O=S1(=NCCNc2ncncc2-c2nn[n-]n2)CCCC1 ZINC001593461012 1167848273 /nfs/dbraw/zinc/84/82/73/1167848273.db2.gz QFZIUECKHQVTGC-UHFFFAOYSA-N -1 1 308.371 0.330 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CCC[C@@H]1C1CC1 ZINC001593457618 1167848752 /nfs/dbraw/zinc/84/87/52/1167848752.db2.gz ODJBNIMWIPLYJC-SNVBAGLBSA-N -1 1 320.378 0.825 20 0 DCADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CCCCO1 ZINC001593462221 1167851279 /nfs/dbraw/zinc/85/12/79/1167851279.db2.gz WJTBQWWMVSCLAP-UHFFFAOYSA-N -1 1 301.353 0.644 20 0 DCADMM O=S1(=O)CCC[C@H](CNc2cccnc2-c2nnn[n-]2)C1 ZINC001593463885 1167856089 /nfs/dbraw/zinc/85/60/89/1167856089.db2.gz MFEKSCRCJGMYQD-SECBINFHSA-N -1 1 308.367 0.498 20 0 DCADMM O=S1(=O)CCC[C@H](CNc2cccnc2-c2nn[n-]n2)C1 ZINC001593463885 1167856103 /nfs/dbraw/zinc/85/61/03/1167856103.db2.gz MFEKSCRCJGMYQD-SECBINFHSA-N -1 1 308.367 0.498 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1nc2c(o1)CCCC2 ZINC001593489409 1167871901 /nfs/dbraw/zinc/87/19/01/1167871901.db2.gz LOUINUDCWDLWNI-UHFFFAOYSA-N -1 1 315.293 0.044 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1noc2c1COCC2 ZINC001593494382 1167875002 /nfs/dbraw/zinc/87/50/02/1167875002.db2.gz SGCRLVPPPGOWAM-UHFFFAOYSA-N -1 1 300.278 0.137 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cccc2nsnc21 ZINC001593495736 1167881122 /nfs/dbraw/zinc/88/11/22/1167881122.db2.gz SMMWRBHLKSXKNT-UHFFFAOYSA-N -1 1 312.318 0.476 20 0 DCADMM O[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC2(CCOCC2)C1 ZINC001593521040 1167894011 /nfs/dbraw/zinc/89/40/11/1167894011.db2.gz ZNFMGVMKHXSOCQ-SNVBAGLBSA-N -1 1 317.353 0.025 20 0 DCADMM O[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC2(CCOCC2)C1 ZINC001593521040 1167894017 /nfs/dbraw/zinc/89/40/17/1167894017.db2.gz ZNFMGVMKHXSOCQ-SNVBAGLBSA-N -1 1 317.353 0.025 20 0 DCADMM OC[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001593525357 1167899987 /nfs/dbraw/zinc/89/99/87/1167899987.db2.gz UHZAPICGGGEXEW-BDAKNGLRSA-N -1 1 324.772 0.972 20 0 DCADMM OC[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC001593525357 1167900001 /nfs/dbraw/zinc/90/00/01/1167900001.db2.gz UHZAPICGGGEXEW-BDAKNGLRSA-N -1 1 324.772 0.972 20 0 DCADMM OC[C@@H](Cc1ccc(O)cc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001593531159 1167909676 /nfs/dbraw/zinc/90/96/76/1167909676.db2.gz CXZHIWXGLMMOEK-SNVBAGLBSA-N -1 1 313.321 0.378 20 0 DCADMM OC[C@@H](Cc1ccc(O)cc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001593531159 1167909681 /nfs/dbraw/zinc/90/96/81/1167909681.db2.gz CXZHIWXGLMMOEK-SNVBAGLBSA-N -1 1 313.321 0.378 20 0 DCADMM O[C@H](CNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001593538227 1167921923 /nfs/dbraw/zinc/92/19/23/1167921923.db2.gz AYZNASWUVLRMPG-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM O[C@H](CNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001593538227 1167921930 /nfs/dbraw/zinc/92/19/30/1167921930.db2.gz AYZNASWUVLRMPG-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CC[C@@H](C3CCOCC3)C2)n1 ZINC001593589974 1167951497 /nfs/dbraw/zinc/95/14/97/1167951497.db2.gz ATDHXBPPYNLBFD-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CC[C@@H](C3CCOCC3)C2)n1 ZINC001593589974 1167951502 /nfs/dbraw/zinc/95/15/02/1167951502.db2.gz ATDHXBPPYNLBFD-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1 ZINC001593590003 1167952969 /nfs/dbraw/zinc/95/29/69/1167952969.db2.gz BKXAKQMPOZNGQV-WDEREUQCSA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1 ZINC001593590003 1167952971 /nfs/dbraw/zinc/95/29/71/1167952971.db2.gz BKXAKQMPOZNGQV-WDEREUQCSA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(N2CCC[C@H](C3OCCO3)C2)cnc1-c1nnn[n-]1 ZINC001593591669 1167955047 /nfs/dbraw/zinc/95/50/47/1167955047.db2.gz TZAQWBSZENPQEH-VIFPVBQESA-N -1 1 303.326 0.246 20 0 DCADMM c1nc(N2CCC[C@H](C3OCCO3)C2)cnc1-c1nn[n-]n1 ZINC001593591669 1167955050 /nfs/dbraw/zinc/95/50/50/1167955050.db2.gz TZAQWBSZENPQEH-VIFPVBQESA-N -1 1 303.326 0.246 20 0 DCADMM c1nc2n(n1)CCN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001593592178 1167955351 /nfs/dbraw/zinc/95/53/51/1167955351.db2.gz WCXGXLXMUJMFHK-UHFFFAOYSA-N -1 1 310.325 0.146 20 0 DCADMM c1nc2n(n1)CCN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001593592178 1167955354 /nfs/dbraw/zinc/95/53/54/1167955354.db2.gz WCXGXLXMUJMFHK-UHFFFAOYSA-N -1 1 310.325 0.146 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(NCc2ncc3c(n2)CCOC3)n1 ZINC001593595278 1167959011 /nfs/dbraw/zinc/95/90/11/1167959011.db2.gz PLLODCOJCIXRRV-UHFFFAOYSA-N -1 1 311.309 0.132 20 0 DCADMM COC(=O)[C@@H]1CCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001598799693 1168040470 /nfs/dbraw/zinc/04/04/70/1168040470.db2.gz QMNSUSAZLOGXRU-ZYHUDNBSSA-N -1 1 312.366 0.193 20 0 DCADMM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)N1CCNC[C@@H]1C ZINC001600000095 1168083111 /nfs/dbraw/zinc/08/31/11/1168083111.db2.gz FKTWPZMXYSNBOO-ZETCQYMHSA-N -1 1 311.363 0.514 20 0 DCADMM Cc1c(C(=O)N2CC[C@](O)(C(=O)[O-])C2)n[nH]c1C(F)(F)F ZINC001600007390 1168091504 /nfs/dbraw/zinc/09/15/04/1168091504.db2.gz ICATXOWQNBFURK-SNVBAGLBSA-N -1 1 307.228 0.399 20 0 DCADMM Cc1cc(C(=O)N(C)CCNc2ncc(C(=O)[O-])cn2)n[nH]1 ZINC001600078291 1168111957 /nfs/dbraw/zinc/11/19/57/1168111957.db2.gz ULJUWEKTFYQBSP-UHFFFAOYSA-N -1 1 304.310 0.390 20 0 DCADMM Cc1cc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])c(C)[nH]1 ZINC001600079297 1168112508 /nfs/dbraw/zinc/11/25/08/1168112508.db2.gz IXDULKUSGIRPAZ-UHFFFAOYSA-N -1 1 322.409 0.406 20 0 DCADMM Cc1cc(C(=O)[O-])cc(C(=O)NCCN2CCN(C)CC2)c1 ZINC001600109573 1168120283 /nfs/dbraw/zinc/12/02/83/1168120283.db2.gz WHSVRBBBFPSFPY-UHFFFAOYSA-N -1 1 305.378 0.670 20 0 DCADMM Cc1cc(C)n(CCN(C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001600180305 1168130640 /nfs/dbraw/zinc/13/06/40/1168130640.db2.gz KSKDFRXZBKNUTK-CHWSQXEVSA-N -1 1 308.382 0.269 20 0 DCADMM Cc1cc(F)cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1N ZINC001600229230 1168141643 /nfs/dbraw/zinc/14/16/43/1168141643.db2.gz KMDJNYIBAINAQN-NSHDSACASA-N -1 1 306.297 0.865 20 0 DCADMM Cc1cc(N2CC[C@H](N3CC[C@H](C(=O)[O-])[C@H]3C)C2=O)n(C)n1 ZINC001600238085 1168142758 /nfs/dbraw/zinc/14/27/58/1168142758.db2.gz JOZXDDLDSRLVIL-WOPDTQHZSA-N -1 1 306.366 0.629 20 0 DCADMM Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2nnc[nH]2)cc1C(=O)[O-] ZINC001600440765 1168185687 /nfs/dbraw/zinc/18/56/87/1168185687.db2.gz GBFKNZAGMCJTBL-QMMMGPOBSA-N -1 1 317.305 0.627 20 0 DCADMM Cc1cccc(NC(=O)CNCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC001600539685 1168197107 /nfs/dbraw/zinc/19/71/07/1168197107.db2.gz WLPGROBVYTUUMP-CHWSQXEVSA-N -1 1 319.361 0.360 20 0 DCADMM Cc1ccccc1CN(C)C(=O)CN1CCC(O)(C(=O)[O-])CC1 ZINC001600581227 1168201802 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/nfs/dbraw/zinc/91/88/03/1169918803.db2.gz SRCNXLIYRADSAH-FBCQKBJTSA-N -1 1 300.294 0.841 20 0 DCADMM C[C@@H]1[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1(F)F ZINC001605426971 1169918808 /nfs/dbraw/zinc/91/88/08/1169918808.db2.gz SRCNXLIYRADSAH-FBCQKBJTSA-N -1 1 300.294 0.841 20 0 DCADMM CCN(CCC(=O)NC)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001605438594 1169920662 /nfs/dbraw/zinc/92/06/62/1169920662.db2.gz AORGWWQEDYQWSK-UHFFFAOYSA-N -1 1 313.398 0.348 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[nH]n3)nc2)C[C@H](C)[N@@H+]1C ZINC001605443629 1169921973 /nfs/dbraw/zinc/92/19/73/1169921973.db2.gz BSFPCQNZCAZWSI-PHIMTYICSA-N -1 1 315.381 0.355 20 0 DCADMM Cc1c(Cl)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)nn1C ZINC001605488492 1169937554 /nfs/dbraw/zinc/93/75/54/1169937554.db2.gz WKKYTPAVWCCYJV-UHFFFAOYSA-N -1 1 307.705 0.029 20 0 DCADMM CCOC(=O)c1cccc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)n1 ZINC001605574692 1169963559 /nfs/dbraw/zinc/96/35/59/1169963559.db2.gz ZWBXXTFEJPRGAS-PWSUYJOCSA-N -1 1 308.334 0.526 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCOC[C@H]2CCCO2)n1 ZINC001605580687 1169964491 /nfs/dbraw/zinc/96/44/91/1169964491.db2.gz HNGVWBUWAUQLTE-SNVBAGLBSA-N -1 1 305.342 0.573 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCOC[C@H]2CCCO2)n1 ZINC001605580687 1169964494 /nfs/dbraw/zinc/96/44/94/1169964494.db2.gz HNGVWBUWAUQLTE-SNVBAGLBSA-N -1 1 305.342 0.573 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCC(=O)NC2CC2)n1 ZINC001605575927 1169964772 /nfs/dbraw/zinc/96/47/72/1169964772.db2.gz QJDOYPPNJSEJFD-UHFFFAOYSA-N -1 1 302.342 0.436 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCC(=O)NC2CC2)n1 ZINC001605575927 1169964779 /nfs/dbraw/zinc/96/47/79/1169964779.db2.gz QJDOYPPNJSEJFD-UHFFFAOYSA-N -1 1 302.342 0.436 20 0 DCADMM CCO[C@H]1C[C@@](NC(=O)CCc2c[nH]nn2)(C(=O)[O-])C1(C)C ZINC001605603349 1169969679 /nfs/dbraw/zinc/96/96/79/1169969679.db2.gz BLKLTNQUISWMOQ-IINYFYTJSA-N -1 1 310.354 0.512 20 0 DCADMM CCO[C@H]1C[C@@](NC(=O)CCc2cnn[nH]2)(C(=O)[O-])C1(C)C ZINC001605603349 1169969681 /nfs/dbraw/zinc/96/96/81/1169969681.db2.gz BLKLTNQUISWMOQ-IINYFYTJSA-N -1 1 310.354 0.512 20 0 DCADMM Cc1cc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)ccn1 ZINC001605663967 1169984265 /nfs/dbraw/zinc/98/42/65/1169984265.db2.gz XKVFNSGBHJIZHA-VIFPVBQESA-N -1 1 314.309 0.466 20 0 DCADMM Cc1cc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)cc(-c2nnn[n-]2)n1 ZINC001605722545 1169992590 /nfs/dbraw/zinc/99/25/90/1169992590.db2.gz DOPRBQLBTQQDMS-ZJUUUORDSA-N -1 1 322.394 0.370 20 0 DCADMM Cc1cc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)cc(-c2nn[n-]n2)n1 ZINC001605722545 1169992592 /nfs/dbraw/zinc/99/25/92/1169992592.db2.gz DOPRBQLBTQQDMS-ZJUUUORDSA-N -1 1 322.394 0.370 20 0 DCADMM CCS(=O)(=O)NCCN[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001605728079 1169993918 /nfs/dbraw/zinc/99/39/18/1169993918.db2.gz VNRXONVVNIGHEA-ZDUSSCGKSA-N -1 1 315.395 0.300 20 0 DCADMM Cc1cc(NC[C@@H]2CCCS(=O)(=O)C2)cc(-c2nnn[n-]2)n1 ZINC001605730745 1169995881 /nfs/dbraw/zinc/99/58/81/1169995881.db2.gz IMEJCCMHVAQKCC-JTQLQIEISA-N -1 1 322.394 0.807 20 0 DCADMM Cc1cc(NC[C@@H]2CCCS(=O)(=O)C2)cc(-c2nn[n-]n2)n1 ZINC001605730745 1169995885 /nfs/dbraw/zinc/99/58/85/1169995885.db2.gz IMEJCCMHVAQKCC-JTQLQIEISA-N -1 1 322.394 0.807 20 0 DCADMM CCc1[nH]c(C(=O)N[C@@H](COC)c2nn[nH]n2)c(C)c1C(=O)[O-] ZINC001605764864 1169998408 /nfs/dbraw/zinc/99/84/08/1169998408.db2.gz CMLUVRGHKFPYBK-QMMMGPOBSA-N -1 1 322.325 0.214 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(OCC(N)=O)CC1 ZINC001605802792 1170005664 /nfs/dbraw/zinc/00/56/64/1170005664.db2.gz IKAJZNKFNBRXMT-UHFFFAOYSA-N -1 1 317.353 0.041 20 0 DCADMM Cc1ccc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001605830731 1170008994 /nfs/dbraw/zinc/00/89/94/1170008994.db2.gz ZLRNZIDEKKBPPH-SNVBAGLBSA-N -1 1 312.337 0.644 20 0 DCADMM Cc1ccc(C[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001605842189 1170009652 /nfs/dbraw/zinc/00/96/52/1170009652.db2.gz RAHCVRWHRLVIES-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccc(C[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001605842189 1170009657 /nfs/dbraw/zinc/00/96/57/1170009657.db2.gz RAHCVRWHRLVIES-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccc(N[C@@H]2CCCS(=O)(=O)C2)nc1-c1nnn[n-]1 ZINC001605871565 1170018674 /nfs/dbraw/zinc/01/86/74/1170018674.db2.gz HGXGHFHPGZMCTO-SECBINFHSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc(N[C@@H]2CCCS(=O)(=O)C2)nc1-c1nn[n-]n1 ZINC001605871565 1170018678 /nfs/dbraw/zinc/01/86/78/1170018678.db2.gz HGXGHFHPGZMCTO-SECBINFHSA-N -1 1 308.367 0.559 20 0 DCADMM CCn1cc(CNC2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001605922121 1170028151 /nfs/dbraw/zinc/02/81/51/1170028151.db2.gz JXIHKGCNNBFYPQ-STQMWFEESA-N -1 1 321.381 0.099 20 0 DCADMM Cc1ccccc1-c1nnc(Cn2cnc(-c3nn[n-]n3)n2)o1 ZINC001605932472 1170028803 /nfs/dbraw/zinc/02/88/03/1170028803.db2.gz VWJNBCIIYURUII-UHFFFAOYSA-N -1 1 309.293 0.865 20 0 DCADMM Cc1[nH]nc(NC(=O)c2nccn3ccnc23)c1-c1nn[n-]n1 ZINC001606013544 1170049855 /nfs/dbraw/zinc/04/98/55/1170049855.db2.gz APRFSSWHYYKFNZ-UHFFFAOYSA-N -1 1 310.281 0.193 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cccc3ncnn32)c1-c1nn[n-]n1 ZINC001606015008 1170051811 /nfs/dbraw/zinc/05/18/11/1170051811.db2.gz XBCPFWBDRWZYRM-UHFFFAOYSA-N -1 1 310.281 0.193 20 0 DCADMM CN(C)c1ncnc(Cl)c1CNC1(C(=O)[O-])CCOCC1 ZINC001606070463 1170068969 /nfs/dbraw/zinc/06/89/69/1170068969.db2.gz UTVGRNHXSYILAB-UHFFFAOYSA-N -1 1 314.773 0.919 20 0 DCADMM Cc1nnccc1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606125095 1170084241 /nfs/dbraw/zinc/08/42/41/1170084241.db2.gz DTXBVXUIHXSQMC-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nnccc1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606125095 1170084247 /nfs/dbraw/zinc/08/42/47/1170084247.db2.gz DTXBVXUIHXSQMC-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nsc(NC(=O)NC(C)(C)[C@H](C)O)c1-c1nnn[n-]1 ZINC001606151697 1170095366 /nfs/dbraw/zinc/09/53/66/1170095366.db2.gz FFSOUNCPCFUATI-LURJTMIESA-N -1 1 311.371 0.913 20 0 DCADMM Cc1nsc(NC(=O)NC(C)(C)[C@H](C)O)c1-c1nn[n-]n1 ZINC001606151697 1170095371 /nfs/dbraw/zinc/09/53/71/1170095371.db2.gz FFSOUNCPCFUATI-LURJTMIESA-N -1 1 311.371 0.913 20 0 DCADMM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)CCc1nc[nH]n1 ZINC001606162131 1170097815 /nfs/dbraw/zinc/09/78/15/1170097815.db2.gz XKGINBYWJCFNER-UHFFFAOYSA-N -1 1 318.333 0.859 20 0 DCADMM CN(Cc1ccc(F)cc1)C(=O)CN1CCC(O)(C(=O)[O-])CC1 ZINC001606159061 1170098881 /nfs/dbraw/zinc/09/88/81/1170098881.db2.gz FVMBJCGABZJPDN-UHFFFAOYSA-N -1 1 324.352 0.696 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCN1CCO[C@@H](C)C1 ZINC001606170616 1170102280 /nfs/dbraw/zinc/10/22/80/1170102280.db2.gz KOPPWDDLSNOEKH-VIFPVBQESA-N -1 1 321.337 0.646 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCN1CCO[C@@H](C)C1 ZINC001606170616 1170102282 /nfs/dbraw/zinc/10/22/82/1170102282.db2.gz KOPPWDDLSNOEKH-VIFPVBQESA-N -1 1 321.337 0.646 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCN1CCCC1=O ZINC001606170573 1170102806 /nfs/dbraw/zinc/10/28/06/1170102806.db2.gz IFMOYPUYGBLEQC-UHFFFAOYSA-N -1 1 305.294 0.547 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCN1CCCC1=O ZINC001606170573 1170102807 /nfs/dbraw/zinc/10/28/07/1170102807.db2.gz IFMOYPUYGBLEQC-UHFFFAOYSA-N -1 1 305.294 0.547 20 0 DCADMM Cn1c(=O)[nH]c(NCC(C2CC2)C2CC2)c(-c2nn[n-]n2)c1=O ZINC001606205741 1170112505 /nfs/dbraw/zinc/11/25/05/1170112505.db2.gz JCVIRFNTQMAVFX-UHFFFAOYSA-N -1 1 317.353 0.514 20 0 DCADMM CN1C[C@@H]2CCN(S(=O)(=O)c3ccsc3C(=O)[O-])[C@@H]2C1 ZINC001606208782 1170114531 /nfs/dbraw/zinc/11/45/31/1170114531.db2.gz LMDOYPXUQVEWEJ-DTWKUNHWSA-N -1 1 316.404 0.771 20 0 DCADMM Cn1c(NC(=O)c2ccc(-c3nn[n-]n3)o2)nnc1C1CC1 ZINC001606217345 1170118033 /nfs/dbraw/zinc/11/80/33/1170118033.db2.gz IHRBAEVPDHWMMI-UHFFFAOYSA-N -1 1 300.282 0.718 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC3(C2)CCCOC3)n1 ZINC001606223203 1170121925 /nfs/dbraw/zinc/12/19/25/1170121925.db2.gz ITPNZBDGNTVFRO-UHFFFAOYSA-N -1 1 318.341 0.245 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC3(C2)CCCOC3)n1 ZINC001606223203 1170121926 /nfs/dbraw/zinc/12/19/26/1170121926.db2.gz ITPNZBDGNTVFRO-UHFFFAOYSA-N -1 1 318.341 0.245 20 0 DCADMM CN1CCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606228750 1170126222 /nfs/dbraw/zinc/12/62/22/1170126222.db2.gz KAGQIYMFTJNZNL-ZYHUDNBSSA-N -1 1 307.354 0.234 20 0 DCADMM Cn1cc(N2CC[C@H](Nc3cc(-c4nnn[n-]4)ncn3)C2)cn1 ZINC001606243208 1170133615 /nfs/dbraw/zinc/13/36/15/1170133615.db2.gz QZJSQWYIKWPIRJ-VIFPVBQESA-N -1 1 312.341 0.081 20 0 DCADMM Cn1cc(N2CC[C@H](Nc3cc(-c4nn[n-]n4)ncn3)C2)cn1 ZINC001606243208 1170133651 /nfs/dbraw/zinc/13/36/51/1170133651.db2.gz QZJSQWYIKWPIRJ-VIFPVBQESA-N -1 1 312.341 0.081 20 0 DCADMM CN1CCN(Cc2cn(Cc3nc(C(=O)[O-])cs3)nn2)CC1 ZINC001606244309 1170134641 /nfs/dbraw/zinc/13/46/41/1170134641.db2.gz GBVUETXVAWYDEA-UHFFFAOYSA-N -1 1 322.394 0.229 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)OC2CCCC2)CC1 ZINC001606242058 1170134757 /nfs/dbraw/zinc/13/47/57/1170134757.db2.gz YUYBEPGHVNNYQU-UHFFFAOYSA-N -1 1 313.398 0.700 20 0 DCADMM Cn1nccc1C[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001606282809 1170148131 /nfs/dbraw/zinc/14/81/31/1170148131.db2.gz ZCIHINGRXCADBS-NSHDSACASA-N -1 1 311.353 0.602 20 0 DCADMM Cn1nccc1C[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001606282809 1170148134 /nfs/dbraw/zinc/14/81/34/1170148134.db2.gz ZCIHINGRXCADBS-NSHDSACASA-N -1 1 311.353 0.602 20 0 DCADMM FC(F)(F)c1noc(CNc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001606296238 1170153068 /nfs/dbraw/zinc/15/30/68/1170153068.db2.gz FJHFUHZMZRKQMG-UHFFFAOYSA-N -1 1 312.215 0.698 20 0 DCADMM FC(F)(F)c1noc(CNc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001606296238 1170153072 /nfs/dbraw/zinc/15/30/72/1170153072.db2.gz FJHFUHZMZRKQMG-UHFFFAOYSA-N -1 1 312.215 0.698 20 0 DCADMM CNS(=O)(=O)C[C@H]1CCCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001606302819 1170155032 /nfs/dbraw/zinc/15/50/32/1170155032.db2.gz NNEZVMNJYMZHPM-JTQLQIEISA-N -1 1 315.395 0.474 20 0 DCADMM COC(=O)[C@H](CCC(=O)[O-])N1CC[C@]2(C(=O)OC)CCC[C@H]12 ZINC001606330997 1170161249 /nfs/dbraw/zinc/16/12/49/1170161249.db2.gz DGTSGWZOVDFDJZ-ZIBATOQPSA-N -1 1 313.350 0.810 20 0 DCADMM COC(=O)[C@@H](c1cccc(OC)c1)N1CCN(CC(=O)[O-])CC1 ZINC001606341944 1170163233 /nfs/dbraw/zinc/16/32/33/1170163233.db2.gz ANOHLPYGYQTHDL-OAHLLOKOSA-N -1 1 322.361 0.612 20 0 DCADMM COC(=O)[C@H]1CCN(Cc2cnc3n2CCC3)[C@@H](C(=O)[O-])C1 ZINC001606413756 1170191540 /nfs/dbraw/zinc/19/15/40/1170191540.db2.gz HJKUJYOMPJQEIA-CMPLNLGQSA-N -1 1 307.350 0.668 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@H](O)c1cccc(F)c1 ZINC001606444991 1170204691 /nfs/dbraw/zinc/20/46/91/1170204691.db2.gz JXHNQBQXKGJANY-JTQLQIEISA-N -1 1 317.284 0.548 20 0 DCADMM Nc1cc(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)[nH]n1 ZINC001606451273 1170207981 /nfs/dbraw/zinc/20/79/81/1170207981.db2.gz ICZVUVINTSDQIO-UHFFFAOYSA-N -1 1 312.341 0.346 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC001606510194 1170224863 /nfs/dbraw/zinc/22/48/63/1170224863.db2.gz BAMROJXLAAQBBC-NGZCFLSTSA-N -1 1 309.322 0.111 20 0 DCADMM O=C(CNC(=O)c1cccc(F)c1-c1nnn[n-]1)OCC1CC1 ZINC001606552714 1170231913 /nfs/dbraw/zinc/23/19/13/1170231913.db2.gz VUSTZYZAJBSLJN-UHFFFAOYSA-N -1 1 319.296 0.689 20 0 DCADMM O=C(CNC(=O)c1cccc(F)c1-c1nn[n-]n1)OCC1CC1 ZINC001606552714 1170231918 /nfs/dbraw/zinc/23/19/18/1170231918.db2.gz VUSTZYZAJBSLJN-UHFFFAOYSA-N -1 1 319.296 0.689 20 0 DCADMM COC(=O)c1cc(CNCCn2cc(C(=O)[O-])nn2)cs1 ZINC001606544084 1170232505 /nfs/dbraw/zinc/23/25/05/1170232505.db2.gz QRFGTHVUXSTXFZ-UHFFFAOYSA-N -1 1 310.335 0.614 20 0 DCADMM O=C(Cn1cccn1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606619971 1170245841 /nfs/dbraw/zinc/24/58/41/1170245841.db2.gz IXPFDDAQRHWSJJ-UHFFFAOYSA-N -1 1 319.275 0.658 20 0 DCADMM O=C(Cn1cccn1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606619971 1170245849 /nfs/dbraw/zinc/24/58/49/1170245849.db2.gz IXPFDDAQRHWSJJ-UHFFFAOYSA-N -1 1 319.275 0.658 20 0 DCADMM O=C(N[C@@H]1CCC2(C1)OCCO2)c1csc(-c2nn[n-]n2)c1 ZINC001606657058 1170253922 /nfs/dbraw/zinc/25/39/22/1170253922.db2.gz AVTVAGKKKVHRJN-SECBINFHSA-N -1 1 321.362 0.954 20 0 DCADMM O=C(N[C@H]1CCn2ccnc21)c1ccsc1-c1nn[n-]n1 ZINC001606686506 1170262401 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1 313.339 0.259 20 0 DCADMM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001609192311 1170858625 /nfs/dbraw/zinc/85/86/25/1170858625.db2.gz CAWXJOIENRLUKV-SKDRFNHKSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001609192311 1170858629 /nfs/dbraw/zinc/85/86/29/1170858629.db2.gz CAWXJOIENRLUKV-SKDRFNHKSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)[C@H]1CC1(C)C ZINC001609191601 1170860937 /nfs/dbraw/zinc/86/09/37/1170860937.db2.gz DDNSHMIJOBVRSX-AEJSXWLSSA-N -1 1 318.385 0.960 20 0 DCADMM CC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(=O)NC ZINC001609195412 1170862909 /nfs/dbraw/zinc/86/29/09/1170862909.db2.gz LYFUPTQNWODZKI-BYPYZUCNSA-N -1 1 301.763 0.913 20 0 DCADMM CC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(=O)NC ZINC001609195412 1170862914 /nfs/dbraw/zinc/86/29/14/1170862914.db2.gz LYFUPTQNWODZKI-BYPYZUCNSA-N -1 1 301.763 0.913 20 0 DCADMM CC[C@H]1C[C@@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001609199502 1170864692 /nfs/dbraw/zinc/86/46/92/1170864692.db2.gz YDMXWISPQYJXOR-QWRGUYRKSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@H]1C[C@@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001609199502 1170864700 /nfs/dbraw/zinc/86/47/00/1170864700.db2.gz YDMXWISPQYJXOR-QWRGUYRKSA-N -1 1 302.338 0.949 20 0 DCADMM CCC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001609205621 1170866994 /nfs/dbraw/zinc/86/69/94/1170866994.db2.gz RWYWSTZLMTVTDV-LLVKDONJSA-N -1 1 318.385 0.933 20 0 DCADMM CCN1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1=O ZINC001609227530 1170881232 /nfs/dbraw/zinc/88/12/32/1170881232.db2.gz BSMPGZLORHZIJF-ZETCQYMHSA-N -1 1 306.351 0.279 20 0 DCADMM CCN1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1=O ZINC001609227530 1170881245 /nfs/dbraw/zinc/88/12/45/1170881245.db2.gz BSMPGZLORHZIJF-ZETCQYMHSA-N -1 1 306.351 0.279 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCCNC1=O ZINC001609262610 1170902631 /nfs/dbraw/zinc/90/26/31/1170902631.db2.gz FIGVOQHIQMWFKC-NSHDSACASA-N -1 1 315.337 0.002 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCCNC1=O ZINC001609262610 1170902634 /nfs/dbraw/zinc/90/26/34/1170902634.db2.gz FIGVOQHIQMWFKC-NSHDSACASA-N -1 1 315.337 0.002 20 0 DCADMM CN(C[C@@H](O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC001609273552 1170907043 /nfs/dbraw/zinc/90/70/43/1170907043.db2.gz PLPRXRRSBXUVFR-LBPRGKRZSA-N -1 1 311.349 0.697 20 0 DCADMM CN(C[C@@H](O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC001609273552 1170907044 /nfs/dbraw/zinc/90/70/44/1170907044.db2.gz PLPRXRRSBXUVFR-LBPRGKRZSA-N -1 1 311.349 0.697 20 0 DCADMM COC(=O)[C@@H](CC1CC1)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609292860 1170916777 /nfs/dbraw/zinc/91/67/77/1170916777.db2.gz AQIZUIHWTIRPDC-SNVBAGLBSA-N -1 1 319.321 0.840 20 0 DCADMM COC(=O)[C@@H](CC1CC1)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609292860 1170916785 /nfs/dbraw/zinc/91/67/85/1170916785.db2.gz AQIZUIHWTIRPDC-SNVBAGLBSA-N -1 1 319.321 0.840 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001609296675 1170919269 /nfs/dbraw/zinc/91/92/69/1170919269.db2.gz QMBBBRLSHCNVTC-QMMMGPOBSA-N -1 1 317.309 0.289 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001609296675 1170919275 /nfs/dbraw/zinc/91/92/75/1170919275.db2.gz QMBBBRLSHCNVTC-QMMMGPOBSA-N -1 1 317.309 0.289 20 0 DCADMM COC(=O)C[C@@H]1CCCN1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609297921 1170922071 /nfs/dbraw/zinc/92/20/71/1170922071.db2.gz DCWXZIZEFNEYII-JTQLQIEISA-N -1 1 318.337 0.013 20 0 DCADMM COC(=O)[C@@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609301133 1170924684 /nfs/dbraw/zinc/92/46/84/1170924684.db2.gz GFIDPTPFQDCQRZ-SCSAIBSYSA-N -1 1 302.747 0.974 20 0 DCADMM COC(=O)[C@@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609301133 1170924685 /nfs/dbraw/zinc/92/46/85/1170924685.db2.gz GFIDPTPFQDCQRZ-SCSAIBSYSA-N -1 1 302.747 0.974 20 0 DCADMM COC(=O)c1occc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609307253 1170926477 /nfs/dbraw/zinc/92/64/77/1170926477.db2.gz USAGIWYAPAWIFO-UHFFFAOYSA-N -1 1 301.262 0.456 20 0 DCADMM CO[C@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001609314234 1170929240 /nfs/dbraw/zinc/92/92/40/1170929240.db2.gz FZIXPZNPDLUFDZ-KOLCDFICSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001609314234 1170929246 /nfs/dbraw/zinc/92/92/46/1170929246.db2.gz FZIXPZNPDLUFDZ-KOLCDFICSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001609314233 1170929659 /nfs/dbraw/zinc/92/96/59/1170929659.db2.gz FZIXPZNPDLUFDZ-GXSJLCMTSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001609314233 1170929666 /nfs/dbraw/zinc/92/96/66/1170929666.db2.gz FZIXPZNPDLUFDZ-GXSJLCMTSA-N -1 1 302.338 0.901 20 0 DCADMM COCC1=CCN(Cn2cccc(-c3nn[n-]n3)c2=O)CC1 ZINC001609320003 1170934420 /nfs/dbraw/zinc/93/44/20/1170934420.db2.gz SZNBBIZCDZNZTJ-UHFFFAOYSA-N -1 1 302.338 0.264 20 0 DCADMM COCCO[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609327130 1170940118 /nfs/dbraw/zinc/94/01/18/1170940118.db2.gz YEPQTVVDMWQVLJ-SNVBAGLBSA-N -1 1 305.342 0.289 20 0 DCADMM COCCO[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609327130 1170940121 /nfs/dbraw/zinc/94/01/21/1170940121.db2.gz YEPQTVVDMWQVLJ-SNVBAGLBSA-N -1 1 305.342 0.289 20 0 DCADMM COCCOCc1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001609327915 1170940287 /nfs/dbraw/zinc/94/02/87/1170940287.db2.gz OIOCXCRLMVBQSX-UHFFFAOYSA-N -1 1 303.282 0.475 20 0 DCADMM COCCOCc1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001609327915 1170940291 /nfs/dbraw/zinc/94/02/91/1170940291.db2.gz OIOCXCRLMVBQSX-UHFFFAOYSA-N -1 1 303.282 0.475 20 0 DCADMM CON(C1CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609332114 1170942249 /nfs/dbraw/zinc/94/22/49/1170942249.db2.gz UXTMQRNGXSIQCK-UHFFFAOYSA-N -1 1 324.366 0.756 20 0 DCADMM CON(C1CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609332114 1170942255 /nfs/dbraw/zinc/94/22/55/1170942255.db2.gz UXTMQRNGXSIQCK-UHFFFAOYSA-N -1 1 324.366 0.756 20 0 DCADMM COc1nc(Cl)c(CNc2n[nH]cc2-c2nnn[n-]2)n1C ZINC001609365420 1170949878 /nfs/dbraw/zinc/94/98/78/1170949878.db2.gz WDKQLXMWENTFEF-UHFFFAOYSA-N -1 1 309.721 0.597 20 0 DCADMM COc1nc(Cl)c(CNc2n[nH]cc2-c2nn[n-]n2)n1C ZINC001609365420 1170949883 /nfs/dbraw/zinc/94/98/83/1170949883.db2.gz WDKQLXMWENTFEF-UHFFFAOYSA-N -1 1 309.721 0.597 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H](C)OCC2CC2)nn1C ZINC001609379082 1170957190 /nfs/dbraw/zinc/95/71/90/1170957190.db2.gz QQSRDDQEGDROID-QMMMGPOBSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H](C)OCC2CC2)nn1C ZINC001609379082 1170957196 /nfs/dbraw/zinc/95/71/96/1170957196.db2.gz QQSRDDQEGDROID-QMMMGPOBSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2C(=O)NC2CC2)n1 ZINC001609391869 1170961767 /nfs/dbraw/zinc/96/17/67/1170961767.db2.gz YKTHXNZAPNYNNS-NSHDSACASA-N -1 1 314.353 0.213 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2C(=O)NC2CC2)n1 ZINC001609391869 1170961773 /nfs/dbraw/zinc/96/17/73/1170961773.db2.gz YKTHXNZAPNYNNS-NSHDSACASA-N -1 1 314.353 0.213 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC(=O)NCC(F)(F)F)n1 ZINC001609392191 1170963176 /nfs/dbraw/zinc/96/31/76/1170963176.db2.gz IWDGWZOPLQLHQF-UHFFFAOYSA-N -1 1 316.247 0.056 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC(=O)NCC(F)(F)F)n1 ZINC001609392191 1170963182 /nfs/dbraw/zinc/96/31/82/1170963182.db2.gz IWDGWZOPLQLHQF-UHFFFAOYSA-N -1 1 316.247 0.056 20 0 DCADMM Cc1nc2n(n1)C[C@H](Nc1cc(C)nc(-c3nnn[n-]3)c1)CC2 ZINC001609409352 1170970797 /nfs/dbraw/zinc/97/07/97/1170970797.db2.gz ICWYUDUGNWRHGM-SNVBAGLBSA-N -1 1 311.353 0.319 20 0 DCADMM Cc1nc2n(n1)C[C@H](Nc1cc(C)nc(-c3nn[n-]n3)c1)CC2 ZINC001609409352 1170970798 /nfs/dbraw/zinc/97/07/98/1170970798.db2.gz ICWYUDUGNWRHGM-SNVBAGLBSA-N -1 1 311.353 0.319 20 0 DCADMM Cc1ccc(CCNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)o1 ZINC001609423009 1170974594 /nfs/dbraw/zinc/97/45/94/1170974594.db2.gz NRUYGNAQCLJYNG-SECBINFHSA-N -1 1 316.325 0.280 20 0 DCADMM Cc1cccc(C[C@@H](CO)Nc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001609431269 1170975008 /nfs/dbraw/zinc/97/50/08/1170975008.db2.gz XLQGFQLLWGSQID-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1cccc(C[C@@H](CO)Nc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001609431269 1170975013 /nfs/dbraw/zinc/97/50/13/1170975013.db2.gz XLQGFQLLWGSQID-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccccc1C[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001609435605 1170977606 /nfs/dbraw/zinc/97/76/06/1170977606.db2.gz BUIGLNWKJAGFBJ-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccccc1C[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001609435605 1170977613 /nfs/dbraw/zinc/97/76/13/1170977613.db2.gz BUIGLNWKJAGFBJ-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccc3nnn(C)c3c2)c1-c1nn[n-]n1 ZINC001609444829 1170978972 /nfs/dbraw/zinc/97/89/72/1170978972.db2.gz UTYUNYLGCMASLC-UHFFFAOYSA-N -1 1 324.308 0.432 20 0 DCADMM Cc1nc([C@@H](C)OC(=O)c2ccnc(-c3nnn[n-]3)c2)no1 ZINC001609449248 1170981837 /nfs/dbraw/zinc/98/18/37/1170981837.db2.gz UFLSCTNCNVUUSG-ZCFIWIBFSA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nc([C@@H](C)OC(=O)c2ccnc(-c3nn[n-]n3)c2)no1 ZINC001609449248 1170981842 /nfs/dbraw/zinc/98/18/42/1170981842.db2.gz UFLSCTNCNVUUSG-ZCFIWIBFSA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](C)[C@@H]2CO)c1-c1nnn[n-]1 ZINC001609465318 1170988092 /nfs/dbraw/zinc/98/80/92/1170988092.db2.gz QEFXQJSUHXWDGO-XPUUQOCRSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](C)[C@@H]2CO)c1-c1nn[n-]n1 ZINC001609465318 1170988093 /nfs/dbraw/zinc/98/80/93/1170988093.db2.gz QEFXQJSUHXWDGO-XPUUQOCRSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCN1CCOC[C@H]1C ZINC001609467489 1170989340 /nfs/dbraw/zinc/98/93/40/1170989340.db2.gz ILOPWVUXCGIHJM-SECBINFHSA-N -1 1 320.353 0.219 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCN1CCOC[C@H]1C ZINC001609467489 1170989345 /nfs/dbraw/zinc/98/93/45/1170989345.db2.gz ILOPWVUXCGIHJM-SECBINFHSA-N -1 1 320.353 0.219 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nccn(C)c1=O ZINC001609468189 1170989367 /nfs/dbraw/zinc/98/93/67/1170989367.db2.gz JQCFIHKJBDGXNH-UHFFFAOYSA-N -1 1 301.266 0.114 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccnc3c2ncn3C)n1 ZINC001609477547 1170992552 /nfs/dbraw/zinc/99/25/52/1170992552.db2.gz GNBOJMGUUAQZAU-UHFFFAOYSA-N -1 1 324.308 0.134 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccnc3c2ncn3C)n1 ZINC001609477547 1170992560 /nfs/dbraw/zinc/99/25/60/1170992560.db2.gz GNBOJMGUUAQZAU-UHFFFAOYSA-N -1 1 324.308 0.134 20 0 DCADMM Cn1nccc1C1=CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001609482883 1170994420 /nfs/dbraw/zinc/99/44/20/1170994420.db2.gz XEOHMDGVHYVYFH-UHFFFAOYSA-N -1 1 309.337 0.684 20 0 DCADMM Cn1nccc1C1=CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001609482883 1170994423 /nfs/dbraw/zinc/99/44/23/1170994423.db2.gz XEOHMDGVHYVYFH-UHFFFAOYSA-N -1 1 309.337 0.684 20 0 DCADMM Fc1cccc(-n2ccc(Cn3cnc(-c4nn[n-]n4)n3)n2)c1 ZINC001609491631 1170997923 /nfs/dbraw/zinc/99/79/23/1170997923.db2.gz VXPHOKFOKGLRBL-UHFFFAOYSA-N -1 1 311.284 0.831 20 0 DCADMM O=C(CCC1CCCCC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609521843 1171006761 /nfs/dbraw/zinc/00/67/61/1171006761.db2.gz QDNALLCMVTWNHR-UHFFFAOYSA-N 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DCADMM CC(C)=CC(=O)N(CCN(C)Cc1nc(=O)n(C)[n-]1)C(C)C ZINC001700970562 1178853614 /nfs/dbraw/zinc/85/36/14/1178853614.db2.gz SFIOREIRYWZCLG-UHFFFAOYSA-N -1 1 309.414 0.743 20 0 DCADMM O=C(CCc1ncccn1)NCCNC(=O)c1ncccc1[O-] ZINC001703156287 1179349999 /nfs/dbraw/zinc/34/99/99/1179349999.db2.gz CRTXXEMTQOIWGM-UHFFFAOYSA-N -1 1 315.333 0.056 20 0 DCADMM CCCOCC(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001703452467 1179547586 /nfs/dbraw/zinc/54/75/86/1179547586.db2.gz HRQAVXKORUBVNG-GFCCVEGCSA-N -1 1 321.377 0.887 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1=CCOCC1 ZINC001704017809 1179845827 /nfs/dbraw/zinc/84/58/27/1179845827.db2.gz IEVMFWYYACVSSS-LLVKDONJSA-N -1 1 319.361 0.759 20 0 DCADMM Cc1ncc(C(=O)NCC=CCNC(=O)c2ncccc2[O-])[nH]1 ZINC001705003846 1180218405 /nfs/dbraw/zinc/21/84/05/1180218405.db2.gz NVCZBXSRGLJVRS-NSCUHMNNSA-N -1 1 315.333 0.535 20 0 DCADMM C=C/C(C)=C/CC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001714171329 1181273508 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C[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CNCCO2)CCc2ccccc21 ZINC001122125833 767721346 /nfs/dbraw/zinc/72/13/46/767721346.db2.gz BQKXCIROVNEXMQ-PXAZEXFGSA-N -1 1 318.373 0.618 20 0 DCADMM CC(C)C[C@]1(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CCNC1=O ZINC001137730399 768389229 /nfs/dbraw/zinc/38/92/29/768389229.db2.gz JPGUVSGTVIQCBJ-IAQYHMDHSA-N -1 1 320.397 0.458 20 0 DCADMM C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)O1 ZINC001092983263 768428787 /nfs/dbraw/zinc/42/87/87/768428787.db2.gz KRKNLZFOZSBEDK-DDHJBXDOSA-N -1 1 323.397 0.262 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1nnnn1CC1CC1 ZINC001138602801 768429679 /nfs/dbraw/zinc/42/96/79/768429679.db2.gz WHZJHWQAKQDWGK-UHFFFAOYSA-N -1 1 321.366 0.106 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1nc(N(C)C)no1 ZINC001138613487 768429832 /nfs/dbraw/zinc/42/98/32/768429832.db2.gz UZNBJRROAUCHAZ-UHFFFAOYSA-N -1 1 310.339 0.158 20 0 DCADMM Cc1cc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)sc1C=O ZINC001138987900 768448840 /nfs/dbraw/zinc/44/88/40/768448840.db2.gz UXZZFJWXWQQGKO-UHFFFAOYSA-N -1 1 321.362 0.506 20 0 DCADMM CN1CCN(C2CN(Cc3cc(F)c([O-])c(F)c3)C2)CC1=O ZINC001140991577 768559232 /nfs/dbraw/zinc/55/92/32/768559232.db2.gz UQDMXUGNHSFOBC-UHFFFAOYSA-N -1 1 311.332 0.629 20 0 DCADMM CC(C)(CNC(=O)CCn1cc[n-]c(=O)c1=O)c1cccnc1 ZINC001142315990 768635986 /nfs/dbraw/zinc/63/59/86/768635986.db2.gz FOZYFKSIEOFMIO-UHFFFAOYSA-N -1 1 316.361 0.416 20 0 DCADMM CCC[C@H](NC(=O)c1cncc2ncn(C)c21)c1nn[n-]n1 ZINC001149121533 768712554 /nfs/dbraw/zinc/71/25/54/768712554.db2.gz BLCARIOVMRZGSU-VIFPVBQESA-N -1 1 300.326 0.753 20 0 DCADMM CSc1nc(NC(=O)c2cn3c(n2)C=CCN3)cc(=O)[n-]1 ZINC001149433162 768749709 /nfs/dbraw/zinc/74/97/09/768749709.db2.gz MJUFWHKAQLWCQJ-UHFFFAOYSA-N -1 1 304.335 0.463 20 0 DCADMM COc1ccc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)cc1OC ZINC001149662206 768809085 /nfs/dbraw/zinc/80/90/85/768809085.db2.gz ZZSUUCZKNGGCHW-UHFFFAOYSA-N -1 1 321.337 0.047 20 0 DCADMM COc1ccc2nc(=O)[nH]c(OC(=O)[C@H](O)CC(=O)[O-])c2c1 ZINC001230852607 768886637 /nfs/dbraw/zinc/88/66/37/768886637.db2.gz AUCUEVDAMYEISE-SECBINFHSA-N -1 1 308.246 0.085 20 0 DCADMM Cc1ccc2c(c1)nc(=O)[nH]c2OC(=O)[C@H](O)CCC(=O)[O-] ZINC001230887650 768902060 /nfs/dbraw/zinc/90/20/60/768902060.db2.gz BRVMQRILOJDUPI-SNVBAGLBSA-N -1 1 306.274 0.775 20 0 DCADMM O=C(NCc1cn(C2CN(CCF)C2)nn1)c1ncccc1[O-] ZINC001094286770 768974152 /nfs/dbraw/zinc/97/41/52/768974152.db2.gz QMMOFKKBMILUMN-UHFFFAOYSA-N -1 1 320.328 0.135 20 0 DCADMM Cc1cccc2ncc(C(=O)N3CCOC[C@H]3c3nn[n-]n3)n21 ZINC001150803746 769190104 /nfs/dbraw/zinc/19/01/04/769190104.db2.gz QQFWJYZPDDNVAM-NSHDSACASA-N -1 1 313.321 0.370 20 0 DCADMM COC(=O)[C@H]1CN(C)CCN1Cc1ccc(F)c([O-])c1F ZINC001232940371 769340700 /nfs/dbraw/zinc/34/07/00/769340700.db2.gz OSUYZDPGTXBYDB-LLVKDONJSA-N -1 1 300.305 0.959 20 0 DCADMM O=C(Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)c1ncnc2[nH]ccc21 ZINC001151879606 769438887 /nfs/dbraw/zinc/43/88/87/769438887.db2.gz 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O=C(NC[C@H]1CNC(=O)CO1)c1c([O-])ccc2ccccc21 ZINC001153510698 769836450 /nfs/dbraw/zinc/83/64/50/769836450.db2.gz UMDIAHPNZJICNS-LLVKDONJSA-N -1 1 300.314 0.790 20 0 DCADMM Nc1cc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)ccc1O ZINC001175841733 769970636 /nfs/dbraw/zinc/97/06/36/769970636.db2.gz UMJRJTYIDHEJEO-UHFFFAOYSA-N -1 1 309.303 0.868 20 0 DCADMM O=C1CCNC[C@H]1[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC001238627725 770121262 /nfs/dbraw/zinc/12/12/62/770121262.db2.gz MUHFZEXSZWIOCQ-SNVBAGLBSA-N -1 1 309.347 0.178 20 0 DCADMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc2n[nH]nc2cc1F ZINC001176593978 770123329 /nfs/dbraw/zinc/12/33/29/770123329.db2.gz LNPKNUCPJZTOMH-UHFFFAOYSA-N -1 1 318.316 0.909 20 0 DCADMM Cc1cc(C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)nc2nccn21 ZINC001154436569 770180569 /nfs/dbraw/zinc/18/05/69/770180569.db2.gz ONMDHOFEFNSDNE-UHFFFAOYSA-N -1 1 310.277 0.662 20 0 DCADMM Nc1c(F)cnc(Br)c1NC(=O)Cc1nn[n-]n1 ZINC001176838032 770185358 /nfs/dbraw/zinc/18/53/58/770185358.db2.gz OUGOCYJOTHQVIN-UHFFFAOYSA-N -1 1 316.094 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CN1CCN(C)[C@@H](CNC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1 ZINC000405362748 973848505 /nfs/dbraw/zinc/84/85/05/973848505.db2.gz DGKIRACBFJJTFB-RWMBFGLXSA-N -1 1 312.414 0.175 20 0 DCADMM Cc1cnn(CC(=O)NCCN(C)C(=O)c2ncccc2[O-])c1 ZINC001527960875 1014150451 /nfs/dbraw/zinc/15/04/51/1014150451.db2.gz ZEWSEVLSKHIEGQ-UHFFFAOYSA-N -1 1 317.349 0.181 20 0 DCADMM O=C([O-])c1ccc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)nc1 ZINC001606471253 973945012 /nfs/dbraw/zinc/94/50/12/973945012.db2.gz LISWJGLFVGHDFQ-JTQLQIEISA-N -1 1 301.306 0.918 20 0 DCADMM CCCNC(=O)[C@H](C)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001603674234 974055372 /nfs/dbraw/zinc/05/53/72/974055372.db2.gz BHDQFJRYGDVZTQ-XQQFMLRXSA-N -1 1 322.409 0.825 20 0 DCADMM CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)C(=O)[O-] ZINC001603903772 974404745 /nfs/dbraw/zinc/40/47/45/974404745.db2.gz CZPZFHGUWPVYKR-RWMBFGLXSA-N -1 1 308.382 0.435 20 0 DCADMM CO[C@@H]1CCC[C@H]1C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001528323667 1014258134 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DCADMM CN(CCNC(=O)[C@]1(F)CCOC1)C(=O)c1ncccc1[O-] ZINC001528548261 1014333187 /nfs/dbraw/zinc/33/31/87/1014333187.db2.gz LETMIXXQBYURKC-AWEZNQCLSA-N -1 1 311.313 0.104 20 0 DCADMM CN(C)C[C@H]1CCCN1S(=O)(=O)c1occc1C(=O)[O-] ZINC000723208760 978173283 /nfs/dbraw/zinc/17/32/83/978173283.db2.gz DTSXOKLLFAMHES-SECBINFHSA-N -1 1 302.352 0.693 20 0 DCADMM CN1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000723260777 978186051 /nfs/dbraw/zinc/18/60/51/978186051.db2.gz SZIJCKROZRAZOQ-WHOHXGKFSA-N -1 1 302.396 0.348 20 0 DCADMM C[C@H](CN1CCN(C)CC1)NC(=O)NCc1cc(C(=O)[O-])co1 ZINC001592614912 978573488 /nfs/dbraw/zinc/57/34/88/978573488.db2.gz CPTUYAFWXPRARH-LLVKDONJSA-N -1 1 324.381 0.413 20 0 DCADMM C[C@H](CN1CCOCC1)C(=O)NCCSCCC(=O)[O-] ZINC001592624647 978600335 /nfs/dbraw/zinc/60/03/35/978600335.db2.gz RDPVQRKXEHOXQC-LLVKDONJSA-N -1 1 304.412 0.279 20 0 DCADMM C[C@H](CNC(=O)c1ccoc1CC(=O)[O-])N1CCN(C)CC1 ZINC001592701817 979163666 /nfs/dbraw/zinc/16/36/66/979163666.db2.gz RTPBPKJHFHCHRG-LLVKDONJSA-N -1 1 309.366 0.272 20 0 DCADMM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])no1)Cn1cccn1 ZINC001592715891 979214427 /nfs/dbraw/zinc/21/44/27/979214427.db2.gz KWMDDPRAPPCBEW-MRVPVSSYSA-N -1 1 314.323 0.184 20 0 DCADMM C[C@@H](N(C)CC(=O)Nc1nc(CC(=O)[O-])cs1)C(C)(C)O ZINC001592950311 980027712 /nfs/dbraw/zinc/02/77/12/980027712.db2.gz DFEDSMOHSFJVKC-MRVPVSSYSA-N -1 1 315.395 0.800 20 0 DCADMM COc1cccc([C@@H]2CNCCN2C(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC001550245464 1014638075 /nfs/dbraw/zinc/63/80/75/1014638075.db2.gz NOEFSBSMNFIPOQ-IHRRRGAJSA-N -1 1 304.346 0.889 20 0 DCADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001593011763 980248550 /nfs/dbraw/zinc/24/85/50/980248550.db2.gz UUBOEUSVOFMRGM-GXSJLCMTSA-N -1 1 324.381 0.463 20 0 DCADMM C[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC001593039984 980321645 /nfs/dbraw/zinc/32/16/45/980321645.db2.gz KCJXECXKQBIANG-WFASDCNBSA-N -1 1 319.405 0.678 20 0 DCADMM CC[C@@](O)(CN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)C(F)(F)F ZINC001595327987 980552815 /nfs/dbraw/zinc/55/28/15/980552815.db2.gz ZTXYCHLGCIFUCX-GHMZBOCLSA-N -1 1 310.272 0.995 20 0 DCADMM CC[C@H](OC(=O)c1ccc(NS(C)(=O)=O)nc1)C(=O)[O-] ZINC001595351689 980659838 /nfs/dbraw/zinc/65/98/38/980659838.db2.gz JKTVXQMYIXUICD-QMMMGPOBSA-N -1 1 302.308 0.473 20 0 DCADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001550347382 1014674701 /nfs/dbraw/zinc/67/47/01/1014674701.db2.gz ZEXGJUFFNFGZTC-WKCLZBRGSA-N -1 1 319.361 0.635 20 0 DCADMM CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)NCC(=O)[O-] ZINC001595360253 980749857 /nfs/dbraw/zinc/74/98/57/980749857.db2.gz FBNKDALZOXZJDS-GFCCVEGCSA-N -1 1 308.334 0.725 20 0 DCADMM CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)NCC(=O)[O-] ZINC001595360253 980749862 /nfs/dbraw/zinc/74/98/62/980749862.db2.gz FBNKDALZOXZJDS-GFCCVEGCSA-N -1 1 308.334 0.725 20 0 DCADMM C[C@H](CNC(=O)c1ccn(C)n1)N(C)C(=O)c1ncccc1[O-] ZINC001449920223 1014784251 /nfs/dbraw/zinc/78/42/51/1014784251.db2.gz GIIIUUYMKCISBG-SNVBAGLBSA-N -1 1 317.349 0.411 20 0 DCADMM CC[C@@H](C)[C@@H](NC(=O)CN(C)CC1(O)CCOCC1)C(=O)[O-] ZINC001594888058 982277922 /nfs/dbraw/zinc/27/79/22/982277922.db2.gz YQXSIVLQTLPABE-DGCLKSJQSA-N -1 1 316.398 0.075 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)COc3ccsc3)nc2n1 ZINC001524234387 1014901728 /nfs/dbraw/zinc/90/17/28/1014901728.db2.gz ZZFPKIDMPVLDOL-UHFFFAOYSA-N -1 1 305.319 0.805 20 0 DCADMM CCCNC(=O)CCC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001595920050 983028246 /nfs/dbraw/zinc/02/82/46/983028246.db2.gz KOYMYMKTDJYIJF-GFCCVEGCSA-N -1 1 313.398 0.300 20 0 DCADMM CCO[C@H](C)C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001530739476 1014915025 /nfs/dbraw/zinc/91/50/25/1014915025.db2.gz JPHRIXDHXNLWJR-SNVBAGLBSA-N -1 1 307.350 0.400 20 0 DCADMM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)C1 ZINC001574392625 983235448 /nfs/dbraw/zinc/23/54/48/983235448.db2.gz BJHZUDRVJNHXQJ-CRWXNKLISA-N -1 1 310.394 0.545 20 0 DCADMM O=C([O-])c1cccc2nc(NC(=O)[C@@H]3CCNC(=O)C3)[nH]c21 ZINC001574431081 983244181 /nfs/dbraw/zinc/24/41/81/983244181.db2.gz RPQZVNWZNSGILL-SSDOTTSWSA-N -1 1 302.290 0.726 20 0 DCADMM CCN(CC)CCS(=O)(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC001596271642 983689243 /nfs/dbraw/zinc/68/92/43/983689243.db2.gz OJQNMNJZUKVQEO-LBPRGKRZSA-N -1 1 306.428 0.987 20 0 DCADMM CCN(CCNCc1cc(OC)ccn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596338984 983782603 /nfs/dbraw/zinc/78/26/03/983782603.db2.gz ARMCBZYWQGMKNN-KGLIPLIRSA-N -1 1 321.377 0.749 20 0 DCADMM CCN1C[C@@H](CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)OC1=O ZINC001596396010 983937993 /nfs/dbraw/zinc/93/79/93/983937993.db2.gz LTPXQOFACRZXFR-NXEZZACHSA-N -1 1 309.326 0.064 20 0 DCADMM CCN1C[C@H](C)N(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@@H]1C ZINC001596396905 983944960 /nfs/dbraw/zinc/94/49/60/983944960.db2.gz ZJDKUJDGPVFGKM-QWRGUYRKSA-N -1 1 324.385 0.100 20 0 DCADMM CCN1CCN(C2CN(C(=O)c3cccc(C(=O)[O-])c3)C2)CC1 ZINC001596431515 984102317 /nfs/dbraw/zinc/10/23/17/984102317.db2.gz XPKGWJPFBIGPOV-UHFFFAOYSA-N -1 1 317.389 0.847 20 0 DCADMM CCN1CCN(CC(=O)Nc2cccc(CC(=O)[O-])n2)CC1 ZINC001596434224 984110106 /nfs/dbraw/zinc/11/01/06/984110106.db2.gz LTDVNOQFSQBEQO-UHFFFAOYSA-N -1 1 306.366 0.285 20 0 DCADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1(CF)CC1 ZINC001524661044 1015033497 /nfs/dbraw/zinc/03/34/97/1015033497.db2.gz ZQTBYZIKPGXGTE-JTQLQIEISA-N -1 1 307.325 0.868 20 0 DCADMM COC[C@@H](C)C(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001450309213 1015034633 /nfs/dbraw/zinc/03/46/33/1015034633.db2.gz KJNUSYUFKNMWDG-MNOVXSKESA-N -1 1 321.377 0.646 20 0 DCADMM CNC(=O)[C@]12CN(c3cc(Cl)[n-]c(=O)n3)C[C@@H]1COCC2 ZINC001551409223 1015045598 /nfs/dbraw/zinc/04/55/98/1015045598.db2.gz NELXKZZEKBJUHK-AMIZOPFISA-N -1 1 312.757 0.425 20 0 DCADMM CCOC(=O)c1c(C)[nH]nc1CN1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596696628 984840558 /nfs/dbraw/zinc/84/05/58/984840558.db2.gz KUBWISUIPRSJPE-UWVGGRQHSA-N -1 1 311.338 0.162 20 0 DCADMM CNC(=O)[C@]12CN(C(=O)c3ncccc3[O-])C[C@H]1COCC2 ZINC001551443164 1015086614 /nfs/dbraw/zinc/08/66/14/1015086614.db2.gz MBPFCACJMHULKS-ZUZCIYMTSA-N -1 1 305.334 0.012 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](CC)OC ZINC001531155821 1015089200 /nfs/dbraw/zinc/08/92/00/1015089200.db2.gz QHYLTSDXHGRWSV-PWSUYJOCSA-N -1 1 309.366 0.837 20 0 DCADMM CCOC(=O)c1c[nH]c(NC(=O)c2cccc(C(=O)[O-])n2)n1 ZINC001596739443 985035025 /nfs/dbraw/zinc/03/50/25/985035025.db2.gz DKUDUXIKIZVIMA-UHFFFAOYSA-N -1 1 304.262 0.932 20 0 DCADMM CCOC(=O)c1nnc(C[NH2+][C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)[n-]1 ZINC001596749711 985092170 /nfs/dbraw/zinc/09/21/70/985092170.db2.gz ZRGDTHQXWXDXHJ-AXTSPUMRSA-N -1 1 308.338 0.570 20 0 DCADMM CC(F)(F)C(=O)[N-][C@H](CO)CNC(=O)c1c(F)cncc1F ZINC001383940486 985210404 /nfs/dbraw/zinc/21/04/04/985210404.db2.gz LHRUVYMPLOSTEZ-LURJTMIESA-N -1 1 323.246 0.222 20 0 DCADMM CCCOCC(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001525345718 1015128061 /nfs/dbraw/zinc/12/80/61/1015128061.db2.gz PMJHFWWTJSYKFY-PHIMTYICSA-N -1 1 307.350 0.591 20 0 DCADMM CCOC1CC2(C[C@H]2NS(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001596850671 985576952 /nfs/dbraw/zinc/57/69/52/985576952.db2.gz QVQCPSFTRALZNG-QAHKDPLZSA-N -1 1 316.335 0.609 20 0 DCADMM CC(=O)Nc1cccc2c1CN(CCC(=O)NCC(=O)[O-])CC2 ZINC001589216050 985713017 /nfs/dbraw/zinc/71/30/17/985713017.db2.gz QYGFJUHVSNDEDA-UHFFFAOYSA-N -1 1 319.361 0.594 20 0 DCADMM C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594508440 985750656 /nfs/dbraw/zinc/75/06/56/985750656.db2.gz RNTQMPWXUCUVPQ-XVKPBYJWSA-N -1 1 315.351 0.134 20 0 DCADMM CCCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001384785840 985816933 /nfs/dbraw/zinc/81/69/33/985816933.db2.gz GHMVCBJDYNEUCY-AAEUAGOBSA-N -1 1 321.377 0.669 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1COC(C)(C)C1 ZINC001594515129 985862503 /nfs/dbraw/zinc/86/25/03/985862503.db2.gz FAMJCHSNWHGMAB-NWDGAFQWSA-N -1 1 313.398 0.744 20 0 DCADMM Cc1n[nH]c(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1C ZINC001599967751 985940512 /nfs/dbraw/zinc/94/05/12/985940512.db2.gz ZOJRFJJCUUHISC-MNOVXSKESA-N -1 1 322.365 0.326 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001594521972 985998819 /nfs/dbraw/zinc/99/88/19/985998819.db2.gz MCCABZIKZPXGRG-SNVBAGLBSA-N -1 1 317.349 0.579 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=S)NC1CCOCC1 ZINC001594522247 985999337 /nfs/dbraw/zinc/99/93/37/985999337.db2.gz NZTFAOYJNYEVCI-LLVKDONJSA-N -1 1 315.439 0.521 20 0 DCADMM C[C@H]1CN(S(=O)(=O)Cc2ccccc2C(=O)[O-])[C@@H](C)CN1 ZINC001594551018 986262329 /nfs/dbraw/zinc/26/23/29/986262329.db2.gz SNKOSTYLPJUZDY-QWRGUYRKSA-N -1 1 312.391 0.897 20 0 DCADMM COCCC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001385660789 986498735 /nfs/dbraw/zinc/49/87/35/986498735.db2.gz BALACSFCCGQIRV-NSHDSACASA-N -1 1 307.350 0.448 20 0 DCADMM C[C@@H](C(=O)NCC(=O)[O-])N1CC[C@H](N(C)c2ccccc2)C1 ZINC001589397594 986538864 /nfs/dbraw/zinc/53/88/64/986538864.db2.gz SPXWAAOYMWLIDR-JSGCOSHPSA-N -1 1 305.378 0.786 20 0 DCADMM C[C@@H](CNC(=O)[C@H](C)OCC1CC1)NC(=O)c1ncccc1[O-] ZINC001386201467 986947837 /nfs/dbraw/zinc/94/78/37/986947837.db2.gz OCDADPNTZYWHSD-QWRGUYRKSA-N -1 1 321.377 0.837 20 0 DCADMM Cc1cc[nH]c1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001386241534 986987635 /nfs/dbraw/zinc/98/76/35/986987635.db2.gz ONRJGKJBXUUFHI-JTQLQIEISA-N -1 1 302.334 0.972 20 0 DCADMM Cc1ncn(C)c1C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001386951789 987524161 /nfs/dbraw/zinc/52/41/61/987524161.db2.gz LCXICWODGSOKSG-UHFFFAOYSA-N -1 1 317.349 0.331 20 0 DCADMM CCc1[nH]c(CN2CC[C@H](CS(N)(=O)=O)C2)cc1C(=O)[O-] ZINC001597385617 987597128 /nfs/dbraw/zinc/59/71/28/987597128.db2.gz WDYWFGBJMPLADY-VIFPVBQESA-N -1 1 315.395 0.386 20 0 DCADMM CCCN(CCNC(=O)CC(C)(C)O)C(=O)c1ncccc1[O-] ZINC001387415327 987820089 /nfs/dbraw/zinc/82/00/89/987820089.db2.gz AJCYMNVKUAGQTI-UHFFFAOYSA-N -1 1 323.393 0.917 20 0 DCADMM CCn1ccc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2[O-])n1 ZINC001450755072 1015340756 /nfs/dbraw/zinc/34/07/56/1015340756.db2.gz SUOFSXSDLGOBOC-UHFFFAOYSA-N -1 1 324.362 0.769 20 0 DCADMM O=C(CC[C@H]1CCCO1)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001387698226 988039857 /nfs/dbraw/zinc/03/98/57/988039857.db2.gz HZLHOMKNVIBTTC-GFCCVEGCSA-N -1 1 319.361 0.687 20 0 DCADMM CCN(CCNC(=O)c1cccnn1)C(=O)c1ncccc1[O-] ZINC001388401135 988271751 /nfs/dbraw/zinc/27/17/51/988271751.db2.gz QEMXJNLFWODSIW-UHFFFAOYSA-N -1 1 315.333 0.469 20 0 DCADMM CSc1cc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)ccn1 ZINC001599808140 988289190 /nfs/dbraw/zinc/28/91/90/988289190.db2.gz XFPSZSBOBQCOSL-LLVKDONJSA-N -1 1 309.391 0.892 20 0 DCADMM CSc1ccnc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001599826832 988610384 /nfs/dbraw/zinc/61/03/84/988610384.db2.gz ZJSOWTGHXSPZCM-AWEZNQCLSA-N -1 1 324.406 0.564 20 0 DCADMM CCc1nc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])nn2)n[nH]1 ZINC001597657318 988717556 /nfs/dbraw/zinc/71/75/56/988717556.db2.gz ZXZXTSJMTRWSNG-LURJTMIESA-N -1 1 305.298 0.738 20 0 DCADMM CCc1nnc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)[nH]1 ZINC001597669673 988759636 /nfs/dbraw/zinc/75/96/36/988759636.db2.gz CHAVMLCVQQWECS-JTQLQIEISA-N -1 1 324.385 0.058 20 0 DCADMM O=C([O-])[C@@]12COC[C@H]1CN(C(=O)N[C@@H]1CCCc3cn[nH]c31)C2 ZINC001552402321 1015419924 /nfs/dbraw/zinc/41/99/24/1015419924.db2.gz JOFRAMFWEJVYTK-HFAKWTLXSA-N -1 1 320.349 0.530 20 0 DCADMM Cc1cc(C(=O)NC[C@@H](O)CNC(=O)c2ncccc2[O-])co1 ZINC001389082342 988805241 /nfs/dbraw/zinc/80/52/41/988805241.db2.gz JTVNNYKUWWLQKK-LLVKDONJSA-N -1 1 319.317 0.209 20 0 DCADMM CCCCC(=O)NC1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001389122039 988857007 /nfs/dbraw/zinc/85/70/07/988857007.db2.gz RYUFEIZOYBVTPF-UHFFFAOYSA-N -1 1 324.337 0.027 20 0 DCADMM Cc1cnn(CC(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])c1 ZINC001389148283 988909286 /nfs/dbraw/zinc/90/92/86/988909286.db2.gz UDVQQRHXQKOOKC-LLVKDONJSA-N -1 1 317.349 0.227 20 0 DCADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@](C)(O)C(=O)[O-] ZINC001599861777 989179118 /nfs/dbraw/zinc/17/91/18/989179118.db2.gz XUQAUCOLOSIDRE-YGRLFVJLSA-N -1 1 302.371 0.763 20 0 DCADMM COc1nc(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])co1 ZINC001389446937 989259430 /nfs/dbraw/zinc/25/94/30/989259430.db2.gz NZGGJQWNCQBQFP-QMMMGPOBSA-N -1 1 320.305 0.332 20 0 DCADMM CCn1cc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c(C)n1 ZINC001597887863 989734717 /nfs/dbraw/zinc/73/47/17/989734717.db2.gz UDPXKLSXPIXBJZ-MRXNPFEDSA-N -1 1 322.409 0.573 20 0 DCADMM C[C@H](CCNC(=O)c1cnco1)NC(=O)c1ncccc1[O-] ZINC001527671806 1015520538 /nfs/dbraw/zinc/52/05/38/1015520538.db2.gz FSNDEUAOBQZRGH-SECBINFHSA-N -1 1 304.306 0.714 20 0 DCADMM CCn1ncc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597957179 989969078 /nfs/dbraw/zinc/96/90/78/989969078.db2.gz ODASZLYTIDOTHL-JULQROHOSA-N -1 1 321.381 0.003 20 0 DCADMM CC(C)(C)c1nc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])n[nH]1 ZINC001590538345 990158618 /nfs/dbraw/zinc/15/86/18/990158618.db2.gz AIJYLIMOVVJPRJ-SECBINFHSA-N -1 1 309.370 0.267 20 0 DCADMM Cc1noc(C)c1CCC(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001390533984 990180563 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DCADMM CN(Cc1cn(CC(=O)NCC(=O)[O-])nn1)C1CCCCC1 ZINC001598534001 992827054 /nfs/dbraw/zinc/82/70/54/992827054.db2.gz WLFMQTCAMIQWIS-UHFFFAOYSA-N -1 1 309.370 0.243 20 0 DCADMM CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001598568029 993165368 /nfs/dbraw/zinc/16/53/68/993165368.db2.gz ARTJEKNSWGVXFZ-WWGRRREGSA-N -1 1 306.362 0.254 20 0 DCADMM CCOCC1(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H](C)C2)CC1 ZINC001393747345 993219714 /nfs/dbraw/zinc/21/97/14/993219714.db2.gz PHFGXCSATPACHE-QWRGUYRKSA-N -1 1 323.397 0.264 20 0 DCADMM C[C@@H](NC(=O)CCC(C)(F)F)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001393958836 993372637 /nfs/dbraw/zinc/37/26/37/993372637.db2.gz NFWIAYNUNASRLY-JGVFFNPUSA-N -1 1 305.329 0.929 20 0 DCADMM Cc1ccoc1C(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001394033955 993421689 /nfs/dbraw/zinc/42/16/89/993421689.db2.gz BKUNWHNGKWZDAC-SNVBAGLBSA-N -1 1 307.354 0.260 20 0 DCADMM C[C@H]1CC(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)C[C@H](C)C1 ZINC001399655031 993641733 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CC[C@@H]1[C@@H](NC(=O)CC2(C)CC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001397740689 996150170 /nfs/dbraw/zinc/15/01/70/996150170.db2.gz MHTPVHMQIIFSFI-NWDGAFQWSA-N -1 1 321.425 0.768 20 0 DCADMM C[C@@H](c1ccccc1)[C@H](CO)NCc1cn(CC(=O)[O-])nn1 ZINC001593705837 996192804 /nfs/dbraw/zinc/19/28/04/996192804.db2.gz ISDXGOYGLIFAGG-FZMZJTMJSA-N -1 1 304.350 0.617 20 0 DCADMM C[C@@H](c1ccccc1)N1CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001593713894 996225427 /nfs/dbraw/zinc/22/54/27/996225427.db2.gz PTLRKMJAQWFYKB-AWEZNQCLSA-N -1 1 319.405 0.956 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccsn1 ZINC001397899815 996243177 /nfs/dbraw/zinc/24/31/77/996243177.db2.gz VHLRVRNPTUWGCM-UHFFFAOYSA-N -1 1 306.347 0.746 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1cnccn1 ZINC001397899696 996243307 /nfs/dbraw/zinc/24/33/07/996243307.db2.gz VDUBCXUVAZFTKI-UHFFFAOYSA-N -1 1 301.306 0.079 20 0 DCADMM CC[C@@H]1CC[C@H](C(=O)N(C)CCNC(=O)c2ncccc2[O-])O1 ZINC001397898747 996243688 /nfs/dbraw/zinc/24/36/88/996243688.db2.gz 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996370410 /nfs/dbraw/zinc/37/04/10/996370410.db2.gz KDFPIZFDLKIQGT-QMMMGPOBSA-N -1 1 300.336 0.711 20 0 DCADMM COC(=O)C[C@](C)(NCCC(=O)NCC(=O)[O-])c1ccccn1 ZINC001598833685 996462364 /nfs/dbraw/zinc/46/23/64/996462364.db2.gz RZQNYEBOIZWJPG-HNNXBMFYSA-N -1 1 323.349 0.040 20 0 DCADMM COCCC(=O)N(C)C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001398475063 996534825 /nfs/dbraw/zinc/53/48/25/996534825.db2.gz CZDYPNBQMOWJQV-LBPRGKRZSA-N -1 1 321.377 0.744 20 0 DCADMM COC(=O)CC[C@H](C(=O)[O-])N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC001598845744 996564597 /nfs/dbraw/zinc/56/45/97/996564597.db2.gz FMYNTXKBYOIETG-GHMZBOCLSA-N -1 1 321.395 0.292 20 0 DCADMM O=C(C=C1CCC1)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001510907674 1016058028 /nfs/dbraw/zinc/05/80/28/1016058028.db2.gz BWRWPLBBHUNMIC-NSHDSACASA-N -1 1 305.334 0.104 20 0 DCADMM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-])C1CC1 ZINC001510911491 1016061941 /nfs/dbraw/zinc/06/19/41/1016061941.db2.gz RMLYJURMWSMCOI-JQWIXIFHSA-N -1 1 321.377 0.430 20 0 DCADMM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001599075401 996850856 /nfs/dbraw/zinc/85/08/56/996850856.db2.gz YASROCQPCWWJEY-AWEZNQCLSA-N -1 1 319.321 0.126 20 0 DCADMM C[C@H](CNC(=O)[C@H]1Cc2ccccc21)NCc1n[nH]c(=O)[n-]1 ZINC001399046743 996889561 /nfs/dbraw/zinc/88/95/61/996889561.db2.gz WRCYSBPNHVUBNP-SKDRFNHKSA-N -1 1 301.350 0.445 20 0 DCADMM Cc1ncsc1CCC(=O)NC[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001399088784 996940306 /nfs/dbraw/zinc/94/03/06/996940306.db2.gz HAZTZXLOPBYWMH-MRVPVSSYSA-N -1 1 324.410 0.502 20 0 DCADMM COCCC(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001399239777 997112023 /nfs/dbraw/zinc/11/20/23/997112023.db2.gz FISHJRGVQRXUHS-LLVKDONJSA-N -1 1 307.350 0.545 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2cnc(C(=O)[O-])cn2)C[C@H]1C1CC1 ZINC001598898946 997137471 /nfs/dbraw/zinc/13/74/71/997137471.db2.gz RXMIVZMPUZORTL-NWDGAFQWSA-N -1 1 305.334 0.806 20 0 DCADMM CO[C@]1(CN[C@H](C)c2cc(C(=O)[O-])co2)CCS(=O)(=O)C1 ZINC001599090588 997185113 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/nfs/dbraw/zinc/93/30/80/606933080.db2.gz GAACFFSEDWIZDB-MRVPVSSYSA-N -1 1 320.378 0.621 20 0 DCADMM CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC000819796351 606933082 /nfs/dbraw/zinc/93/30/82/606933082.db2.gz GAACFFSEDWIZDB-MRVPVSSYSA-N -1 1 320.378 0.621 20 0 DCADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)c1nnc2n1CCCC2 ZINC000820461548 607027862 /nfs/dbraw/zinc/02/78/62/607027862.db2.gz MBZFIMHVWQDFOP-QMMMGPOBSA-N -1 1 312.341 0.758 20 0 DCADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)c1nnc2n1CCCC2 ZINC000820461548 607027865 /nfs/dbraw/zinc/02/78/65/607027865.db2.gz MBZFIMHVWQDFOP-QMMMGPOBSA-N -1 1 312.341 0.758 20 0 DCADMM C[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1n1ccnc1 ZINC000820727172 607047000 /nfs/dbraw/zinc/04/70/00/607047000.db2.gz IBXIAEAOLSQZMH-WDEREUQCSA-N -1 1 311.353 0.941 20 0 DCADMM C[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820727172 607047002 /nfs/dbraw/zinc/04/70/02/607047002.db2.gz IBXIAEAOLSQZMH-WDEREUQCSA-N -1 1 311.353 0.941 20 0 DCADMM Cc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c(=O)[nH]1 ZINC000822227492 607110098 /nfs/dbraw/zinc/11/00/98/607110098.db2.gz LCRVDGPOKFNGSC-UHFFFAOYSA-N -1 1 303.307 0.985 20 0 DCADMM Cc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c(=O)[nH]1 ZINC000822227492 607110099 /nfs/dbraw/zinc/11/00/99/607110099.db2.gz LCRVDGPOKFNGSC-UHFFFAOYSA-N -1 1 303.307 0.985 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1coc2ccccc12 ZINC000823131049 607217826 /nfs/dbraw/zinc/21/78/26/607217826.db2.gz BKXPGBSSUGMVHZ-UHFFFAOYSA-N -1 1 324.304 0.521 20 0 DCADMM CSCC[C@H](C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821962523 607218484 /nfs/dbraw/zinc/21/84/84/607218484.db2.gz RMRYWJXJHRAING-QMMMGPOBSA-N -1 1 310.387 0.058 20 0 DCADMM CCC(CC)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)SC ZINC000820887832 607220097 /nfs/dbraw/zinc/22/00/97/607220097.db2.gz TXFGDRLNZOKGMO-UHFFFAOYSA-N -1 1 324.414 0.496 20 0 DCADMM NC(=O)CCn1ccc(NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC000822869295 607229295 /nfs/dbraw/zinc/22/92/95/607229295.db2.gz UPCRJPMJDHQEOP-UHFFFAOYSA-N -1 1 318.366 0.612 20 0 DCADMM CCOC(=O)COCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000825517444 607863339 /nfs/dbraw/zinc/86/33/39/607863339.db2.gz DUOFKXYVGSWOEF-UHFFFAOYSA-N -1 1 310.285 0.964 20 0 DCADMM CCOC(=O)COCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000825517444 607863340 /nfs/dbraw/zinc/86/33/40/607863340.db2.gz DUOFKXYVGSWOEF-UHFFFAOYSA-N -1 1 310.285 0.964 20 0 DCADMM O=S1(=O)CCC(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826496969 607905777 /nfs/dbraw/zinc/90/57/77/607905777.db2.gz PQMXPZUAJYVVKG-UHFFFAOYSA-N -1 1 308.367 0.498 20 0 DCADMM O=S1(=O)CCC(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826496969 607905778 /nfs/dbraw/zinc/90/57/78/607905778.db2.gz PQMXPZUAJYVVKG-UHFFFAOYSA-N -1 1 308.367 0.498 20 0 DCADMM O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826450205 607941849 /nfs/dbraw/zinc/94/18/49/607941849.db2.gz AVZBKCRCCVNOJO-HOMQSWHASA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826450205 607941850 /nfs/dbraw/zinc/94/18/50/607941850.db2.gz AVZBKCRCCVNOJO-HOMQSWHASA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429677 607993753 /nfs/dbraw/zinc/99/37/53/607993753.db2.gz JUTPMBGPBMPWDF-MNOVXSKESA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429677 607993754 /nfs/dbraw/zinc/99/37/54/607993754.db2.gz JUTPMBGPBMPWDF-MNOVXSKESA-N -1 1 302.338 0.543 20 0 DCADMM NC(=O)c1[nH]nc2ccc(Nc3nccnc3-c3nnn[n-]3)cc21 ZINC000826393986 608019180 /nfs/dbraw/zinc/01/91/80/608019180.db2.gz RWLCEHYYCNLDBI-UHFFFAOYSA-N -1 1 322.292 0.376 20 0 DCADMM NC(=O)c1[nH]nc2ccc(Nc3nccnc3-c3nn[n-]n3)cc21 ZINC000826393986 608019181 /nfs/dbraw/zinc/01/91/81/608019181.db2.gz RWLCEHYYCNLDBI-UHFFFAOYSA-N -1 1 322.292 0.376 20 0 DCADMM C[C@@](O)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC000824669520 608042003 /nfs/dbraw/zinc/04/20/03/608042003.db2.gz DEEFWJXHRQVECZ-SECBINFHSA-N -1 1 321.284 0.971 20 0 DCADMM C[C@@](O)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC000824669520 608042004 /nfs/dbraw/zinc/04/20/04/608042004.db2.gz DEEFWJXHRQVECZ-SECBINFHSA-N -1 1 321.284 0.971 20 0 DCADMM O=C1C[C@H]([C@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)CN1 ZINC000826478948 608149301 /nfs/dbraw/zinc/14/93/01/608149301.db2.gz NACJSOMWZNZWIC-CMPLNLGQSA-N -1 1 313.365 0.757 20 0 DCADMM O=C1C[C@H]([C@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)CN1 ZINC000826478948 608149302 /nfs/dbraw/zinc/14/93/02/608149302.db2.gz NACJSOMWZNZWIC-CMPLNLGQSA-N -1 1 313.365 0.757 20 0 DCADMM CC(C)(C)C[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824078349 608163134 /nfs/dbraw/zinc/16/31/34/608163134.db2.gz IDQLCTNPNYDABI-JTQLQIEISA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(C)C[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824078349 608163136 /nfs/dbraw/zinc/16/31/36/608163136.db2.gz IDQLCTNPNYDABI-JTQLQIEISA-N -1 1 304.354 0.789 20 0 DCADMM CCS(=O)(=O)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000825662724 608181825 /nfs/dbraw/zinc/18/18/25/608181825.db2.gz BEJNFFKMIUOPRU-UHFFFAOYSA-N -1 1 322.803 0.823 20 0 DCADMM CCS(=O)(=O)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000825662724 608181826 /nfs/dbraw/zinc/18/18/26/608181826.db2.gz BEJNFFKMIUOPRU-UHFFFAOYSA-N -1 1 322.803 0.823 20 0 DCADMM O=C1N[C@@H](c2ccc(-c3nn[n-]n3)s2)N2CCSC[C@H]12 ZINC000826482099 608228242 /nfs/dbraw/zinc/22/82/42/608228242.db2.gz RTSLLOVMGVHNMR-LHLIQPBNSA-N -1 1 308.392 0.474 20 0 DCADMM COc1ccccc1[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826219345 608420265 /nfs/dbraw/zinc/42/02/65/608420265.db2.gz ZCCIAENWANXEJQ-LLVKDONJSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccccc1[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826219345 608420266 /nfs/dbraw/zinc/42/02/66/608420266.db2.gz ZCCIAENWANXEJQ-LLVKDONJSA-N -1 1 313.321 0.811 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)CC1(C)OCCO1 ZINC000824429443 608421205 /nfs/dbraw/zinc/42/12/05/608421205.db2.gz WYQDNWJHWREXSM-SECBINFHSA-N -1 1 305.342 0.858 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)CC1(C)OCCO1 ZINC000824429443 608421207 /nfs/dbraw/zinc/42/12/07/608421207.db2.gz WYQDNWJHWREXSM-SECBINFHSA-N -1 1 305.342 0.858 20 0 DCADMM OCCN(CCc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000826509747 608425607 /nfs/dbraw/zinc/42/56/07/608425607.db2.gz IHVYPMZBDJCCJN-UHFFFAOYSA-N -1 1 311.349 0.698 20 0 DCADMM OCCN(CCc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000826509747 608425609 /nfs/dbraw/zinc/42/56/09/608425609.db2.gz IHVYPMZBDJCCJN-UHFFFAOYSA-N -1 1 311.349 0.698 20 0 DCADMM O[C@@]12CCCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826506183 608433210 /nfs/dbraw/zinc/43/32/10/608433210.db2.gz OGFKJCXQJMATNU-IINYFYTJSA-N -1 1 301.354 0.788 20 0 DCADMM O[C@@]12CCCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826506183 608433212 /nfs/dbraw/zinc/43/32/12/608433212.db2.gz OGFKJCXQJMATNU-IINYFYTJSA-N -1 1 301.354 0.788 20 0 DCADMM CC[C@H]1CN(C(C)=O)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825210441 608436790 /nfs/dbraw/zinc/43/67/90/608436790.db2.gz HCQDSMXDCQIWNC-WDEREUQCSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H]1CN(C(C)=O)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825210441 608436792 /nfs/dbraw/zinc/43/67/92/608436792.db2.gz HCQDSMXDCQIWNC-WDEREUQCSA-N -1 1 316.369 0.716 20 0 DCADMM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1nnc2n1CCC2 ZINC000825961145 608511019 /nfs/dbraw/zinc/51/10/19/608511019.db2.gz BFGPGAYJVHTGLW-UHFFFAOYSA-N -1 1 300.326 0.629 20 0 DCADMM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1nnc2n1CCC2 ZINC000825961145 608511020 /nfs/dbraw/zinc/51/10/20/608511020.db2.gz BFGPGAYJVHTGLW-UHFFFAOYSA-N -1 1 300.326 0.629 20 0 DCADMM CN(C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000825846306 608527634 /nfs/dbraw/zinc/52/76/34/608527634.db2.gz VSIMHQVUILZALL-UHFFFAOYSA-N -1 1 321.410 0.727 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(C(=O)N(C)C)CC1 ZINC000826280829 608543071 /nfs/dbraw/zinc/54/30/71/608543071.db2.gz RNVOZOLBWVIJAN-UHFFFAOYSA-N -1 1 316.369 0.374 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(C(=O)N(C)C)CC1 ZINC000826280829 608543072 /nfs/dbraw/zinc/54/30/72/608543072.db2.gz RNVOZOLBWVIJAN-UHFFFAOYSA-N -1 1 316.369 0.374 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@](C)(O)C2)c1-c1nnn[n-]1 ZINC000826344852 609468433 /nfs/dbraw/zinc/46/84/33/609468433.db2.gz URZMLFABUHXJAI-CYBMUJFWSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@](C)(O)C2)c1-c1nn[n-]n1 ZINC000826344852 609468435 /nfs/dbraw/zinc/46/84/35/609468435.db2.gz URZMLFABUHXJAI-CYBMUJFWSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)NC2C[C@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826346134 609469381 /nfs/dbraw/zinc/46/93/81/609469381.db2.gz DIGZYMDNMUGUBF-YUMQZZPRSA-N -1 1 320.353 0.778 20 0 DCADMM Cc1onc(CC(=O)NC2C[C@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826346134 609469383 /nfs/dbraw/zinc/46/93/83/609469383.db2.gz DIGZYMDNMUGUBF-YUMQZZPRSA-N -1 1 320.353 0.778 20 0 DCADMM NC(=O)c1cccc(CSc2nccnc2-c2nn[n-]n2)n1 ZINC000826393734 609580226 /nfs/dbraw/zinc/58/02/26/609580226.db2.gz HANSWUZXDWMHFW-UHFFFAOYSA-N -1 1 314.334 0.443 20 0 DCADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1C[C@H](O)C12CCC2 ZINC000867518833 662523643 /nfs/dbraw/zinc/52/36/43/662523643.db2.gz HQOLIGPZAJWAQL-ZJUUUORDSA-N -1 1 310.441 0.632 20 0 DCADMM CC(C)CC(=O)N1CCO[C@@H]([C@H](C)NCc2n[nH]c(=O)[n-]2)C1 ZINC000979166671 660674863 /nfs/dbraw/zinc/67/48/63/660674863.db2.gz NAVKIEGFJFYTCC-WDEREUQCSA-N -1 1 311.386 0.262 20 0 DCADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC000979226252 660692724 /nfs/dbraw/zinc/69/27/24/660692724.db2.gz JKNYAKKXDZYJNO-USZNOCQGSA-N -1 1 305.382 0.721 20 0 DCADMM O=C(NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O)c1ccccc1O ZINC001027761075 660700491 /nfs/dbraw/zinc/70/04/91/660700491.db2.gz GQCQHAVPJLZGTM-WCQYABFASA-N -1 1 303.362 0.475 20 0 DCADMM O=C(NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)c1ncc[nH]1 ZINC000979728814 660808527 /nfs/dbraw/zinc/80/85/27/660808527.db2.gz ABFDGIYWAFVTAB-MGCOHNPYSA-N -1 1 315.333 0.449 20 0 DCADMM CO[C@]1(C(=O)N[C@@H](CCSC)c2nn[n-]n2)CCSC1 ZINC000912860236 664238418 /nfs/dbraw/zinc/23/84/18/664238418.db2.gz OVHONERHPPXGNU-GZMMTYOYSA-N -1 1 317.440 0.632 20 0 DCADMM Cc1nnc(CN2CCCN(C(=O)c3ncccc3[O-])CC2)[nH]1 ZINC000981026657 661067239 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ZINC001573912974 1163581998 /nfs/dbraw/zinc/58/19/98/1163581998.db2.gz JMIDNNQWPXLNSO-QMMMGPOBSA-N -1 1 320.332 0.100 20 0 DCADMM CC(C)(F)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573908773 1163582298 /nfs/dbraw/zinc/58/22/98/1163582298.db2.gz PPPBXJSOUYKWIR-UHFFFAOYSA-N -1 1 320.332 0.053 20 0 DCADMM CC(C)(F)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573908773 1163582305 /nfs/dbraw/zinc/58/23/05/1163582305.db2.gz PPPBXJSOUYKWIR-UHFFFAOYSA-N -1 1 320.332 0.053 20 0 DCADMM CC(C)(F)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573919248 1163584727 /nfs/dbraw/zinc/58/47/27/1163584727.db2.gz LQIXSDWSTRGLKH-ZKCHVHJHSA-N -1 1 320.332 0.464 20 0 DCADMM CC(C)(F)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573919248 1163584734 /nfs/dbraw/zinc/58/47/34/1163584734.db2.gz LQIXSDWSTRGLKH-ZKCHVHJHSA-N -1 1 320.332 0.464 20 0 DCADMM CC(C)=CC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573944169 1163594598 /nfs/dbraw/zinc/59/45/98/1163594598.db2.gz WRZQLENCDGDPBP-ZJUUUORDSA-N -1 1 316.369 0.928 20 0 DCADMM CC(C)=CC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573944169 1163594605 /nfs/dbraw/zinc/59/46/05/1163594605.db2.gz WRZQLENCDGDPBP-ZJUUUORDSA-N -1 1 316.369 0.928 20 0 DCADMM CC(C)C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573947063 1163596817 /nfs/dbraw/zinc/59/68/17/1163596817.db2.gz SYGUNDGCMKLKQN-UHFFFAOYSA-N -1 1 318.385 0.597 20 0 DCADMM CC(C)C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573947063 1163596824 /nfs/dbraw/zinc/59/68/24/1163596824.db2.gz SYGUNDGCMKLKQN-UHFFFAOYSA-N -1 1 318.385 0.597 20 0 DCADMM CC(C)C(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573947232 1163597006 /nfs/dbraw/zinc/59/70/06/1163597006.db2.gz ZIAVQBZKSPGUBR-UHFFFAOYSA-N -1 1 304.358 0.573 20 0 DCADMM CC(C)C(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573947232 1163597011 /nfs/dbraw/zinc/59/70/11/1163597011.db2.gz ZIAVQBZKSPGUBR-UHFFFAOYSA-N -1 1 304.358 0.573 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001573950924 1163598401 /nfs/dbraw/zinc/59/84/01/1163598401.db2.gz IEKYFRHRBATETF-NXEZZACHSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001573950924 1163598403 /nfs/dbraw/zinc/59/84/03/1163598403.db2.gz IEKYFRHRBATETF-NXEZZACHSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573969550 1163613520 /nfs/dbraw/zinc/61/35/20/1163613520.db2.gz KKZLEXMNHIEAAD-MGCOHNPYSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573969550 1163613527 /nfs/dbraw/zinc/61/35/27/1163613527.db2.gz KKZLEXMNHIEAAD-MGCOHNPYSA-N -1 1 316.369 0.619 20 0 DCADMM Cc1cn(C(C)(C)C(=O)N[C@H](C)c2nc(C(=O)[O-])n[n-]2)c[nH+]1 ZINC001574172590 1163650962 /nfs/dbraw/zinc/65/09/62/1163650962.db2.gz GWMFSDBFOPWCTQ-MRVPVSSYSA-N -1 1 306.326 0.620 20 0 DCADMM CC(C)CN1C[C@@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)CC1=O ZINC001574204021 1163662336 /nfs/dbraw/zinc/66/23/36/1163662336.db2.gz DZAMLVICICXITG-QMMMGPOBSA-N -1 1 318.341 0.033 20 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/nfs/dbraw/zinc/75/76/72/1163757672.db2.gz HVCUCTIZSDHYOC-MRVPVSSYSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)CC1CC1 ZINC001574809832 1163757701 /nfs/dbraw/zinc/75/77/01/1163757701.db2.gz QFCGRSLJAARLEL-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)CC1CC1 ZINC001574809832 1163757707 /nfs/dbraw/zinc/75/77/07/1163757707.db2.gz QFCGRSLJAARLEL-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574846719 1163769426 /nfs/dbraw/zinc/76/94/26/1163769426.db2.gz WFSRKHYGEWGZHF-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574846719 1163769432 /nfs/dbraw/zinc/76/94/32/1163769432.db2.gz WFSRKHYGEWGZHF-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC1(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574862814 1163776775 /nfs/dbraw/zinc/77/67/75/1163776775.db2.gz VTSSSYJIVFUMKR-IUCAKERBSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@@H](CNC(=O)C1CCC1)CNc1nccnc1-c1nnn[n-]1 ZINC001574868131 1163778836 /nfs/dbraw/zinc/77/88/36/1163778836.db2.gz GJDMXSBUINIGCJ-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CNC(=O)C1CCC1)CNc1nccnc1-c1nn[n-]n1 ZINC001574868131 1163778839 /nfs/dbraw/zinc/77/88/39/1163778839.db2.gz GJDMXSBUINIGCJ-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574868789 1163780269 /nfs/dbraw/zinc/78/02/69/1163780269.db2.gz OOLMXCDULVQENK-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574868789 1163780276 /nfs/dbraw/zinc/78/02/76/1163780276.db2.gz OOLMXCDULVQENK-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNC(=O)CC1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001574894162 1163790710 /nfs/dbraw/zinc/79/07/10/1163790710.db2.gz CYPSWIMKMXXOTO-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CNC(=O)CC1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001574894162 1163790713 /nfs/dbraw/zinc/79/07/13/1163790713.db2.gz 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ZINC001576417280 1164336218 /nfs/dbraw/zinc/33/62/18/1164336218.db2.gz YXZJNNMYROQPNZ-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001576422044 1164337500 /nfs/dbraw/zinc/33/75/00/1164337500.db2.gz XLUNDEQZABBPNR-SECBINFHSA-N -1 1 316.369 0.642 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001576422044 1164337507 /nfs/dbraw/zinc/33/75/07/1164337507.db2.gz XLUNDEQZABBPNR-SECBINFHSA-N -1 1 316.369 0.642 20 0 DCADMM CCC(=O)N1CC[C@@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001576424341 1164338717 /nfs/dbraw/zinc/33/87/17/1164338717.db2.gz BXCRFAMDTAYLFM-SECBINFHSA-N -1 1 320.378 0.669 20 0 DCADMM CCC(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576440259 1164343008 /nfs/dbraw/zinc/34/30/08/1164343008.db2.gz IECFEYLHUXIMNN-UHFFFAOYSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576440259 1164343017 /nfs/dbraw/zinc/34/30/17/1164343017.db2.gz IECFEYLHUXIMNN-UHFFFAOYSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576441281 1164345482 /nfs/dbraw/zinc/34/54/82/1164345482.db2.gz WPHQTBPUPMQCPR-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576441281 1164345485 /nfs/dbraw/zinc/34/54/85/1164345485.db2.gz WPHQTBPUPMQCPR-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576445064 1164346706 /nfs/dbraw/zinc/34/67/06/1164346706.db2.gz NYEBBVFKQSWNPZ-VHSXEESVSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576445064 1164346711 /nfs/dbraw/zinc/34/67/11/1164346711.db2.gz NYEBBVFKQSWNPZ-VHSXEESVSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001576444158 1164347105 /nfs/dbraw/zinc/34/71/05/1164347105.db2.gz AVXGKQJUHKYESZ-SECBINFHSA-N -1 1 316.369 0.324 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001576444158 1164347113 /nfs/dbraw/zinc/34/71/13/1164347113.db2.gz AVXGKQJUHKYESZ-SECBINFHSA-N -1 1 316.369 0.324 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001576445221 1164347487 /nfs/dbraw/zinc/34/74/87/1164347487.db2.gz PZHWVVSZSVPNAD-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001576445221 1164347495 /nfs/dbraw/zinc/34/74/95/1164347495.db2.gz PZHWVVSZSVPNAD-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576445449 1164347516 /nfs/dbraw/zinc/34/75/16/1164347516.db2.gz RIPIHTDAHJPXCS-ZJUUUORDSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576445449 1164347523 /nfs/dbraw/zinc/34/75/23/1164347523.db2.gz RIPIHTDAHJPXCS-ZJUUUORDSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001576444911 1164347851 /nfs/dbraw/zinc/34/78/51/1164347851.db2.gz MVKYNCJISZPKMV-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001576444911 1164347857 /nfs/dbraw/zinc/34/78/57/1164347857.db2.gz MVKYNCJISZPKMV-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001576478002 1164357523 /nfs/dbraw/zinc/35/75/23/1164357523.db2.gz WVSFIPFXNKSAEB-DTORHVGOSA-N -1 1 316.369 0.688 20 0 DCADMM CCC(=O)N[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001576478002 1164357530 /nfs/dbraw/zinc/35/75/30/1164357530.db2.gz WVSFIPFXNKSAEB-DTORHVGOSA-N -1 1 316.369 0.688 20 0 DCADMM CC[C@@H](C)C(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576559888 1164391961 /nfs/dbraw/zinc/39/19/61/1164391961.db2.gz DPMKDJRLBGKBGU-NXEZZACHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576559888 1164391965 /nfs/dbraw/zinc/39/19/65/1164391965.db2.gz DPMKDJRLBGKBGU-NXEZZACHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576596072 1164407774 /nfs/dbraw/zinc/40/77/74/1164407774.db2.gz NBLBLRWQUMAASM-ZJUUUORDSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576604568 1164410631 /nfs/dbraw/zinc/41/06/31/1164410631.db2.gz JBBMHNQWACGCBK-BBBLOLIVSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576604568 1164410637 /nfs/dbraw/zinc/41/06/37/1164410637.db2.gz JBBMHNQWACGCBK-BBBLOLIVSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@@H](CNC(=O)CC1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576805192 1164470181 /nfs/dbraw/zinc/47/01/81/1164470181.db2.gz VKKUWSIGQYIRPN-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)CC1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576805192 1164470184 /nfs/dbraw/zinc/47/01/84/1164470184.db2.gz VKKUWSIGQYIRPN-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576844940 1164491594 /nfs/dbraw/zinc/49/15/94/1164491594.db2.gz DMRYGPLGTGGDBK-KXUCPTDWSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@@H]1OC(C)(C)N[C@@H]1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001576899453 1164522820 /nfs/dbraw/zinc/52/28/20/1164522820.db2.gz RWPNHBVCKGHRTH-AEJSXWLSSA-N -1 1 309.370 0.329 20 0 DCADMM COC(=O)[C@@H](Cc1c[nH]nn1)NCc1ccc(O)c(F)c1F ZINC001576913885 1164529326 /nfs/dbraw/zinc/52/93/26/1164529326.db2.gz SMVZXIXVIHQSFF-SECBINFHSA-N -1 1 312.276 0.662 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576926606 1164537407 /nfs/dbraw/zinc/53/74/07/1164537407.db2.gz SECIPBNXFRGYKS-BDAKNGLRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576926606 1164537413 /nfs/dbraw/zinc/53/74/13/1164537413.db2.gz SECIPBNXFRGYKS-BDAKNGLRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(CC)CCNc1nccnc1-c1nnn[n-]1 ZINC001576927643 1164537627 /nfs/dbraw/zinc/53/76/27/1164537627.db2.gz OUVNRZZYUQHBDG-SECBINFHSA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@@H](F)C(=O)N(CC)CCNc1nccnc1-c1nn[n-]n1 ZINC001576927643 1164537633 /nfs/dbraw/zinc/53/76/33/1164537633.db2.gz OUVNRZZYUQHBDG-SECBINFHSA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576936026 1164542762 /nfs/dbraw/zinc/54/27/62/1164542762.db2.gz DFTCVCKCORYJGP-IUCAKERBSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576936026 1164542769 /nfs/dbraw/zinc/54/27/69/1164542769.db2.gz DFTCVCKCORYJGP-IUCAKERBSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1noc(C)n1 ZINC001576977200 1164567840 /nfs/dbraw/zinc/56/78/40/1164567840.db2.gz CNIRBSZQDPJANF-MRVPVSSYSA-N -1 1 314.309 0.834 20 0 DCADMM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1noc(C)n1 ZINC001576977200 1164567850 /nfs/dbraw/zinc/56/78/50/1164567850.db2.gz CNIRBSZQDPJANF-MRVPVSSYSA-N -1 1 314.309 0.834 20 0 DCADMM CN(CCCNC(=O)c1ncccc1[O-])C(=O)Cn1ccnc1 ZINC001576975175 1164568855 /nfs/dbraw/zinc/56/88/55/1164568855.db2.gz RKVNYONOBGHZSP-UHFFFAOYSA-N -1 1 317.349 0.262 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001577194342 1164629622 /nfs/dbraw/zinc/62/96/22/1164629622.db2.gz KHQSJZYLHOLHJE-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001577194342 1164629625 /nfs/dbraw/zinc/62/96/25/1164629625.db2.gz KHQSJZYLHOLHJE-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001577194083 1164629737 /nfs/dbraw/zinc/62/97/37/1164629737.db2.gz DOODMOUVZHPYJX-ZJUUUORDSA-N -1 1 316.369 0.280 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001577194080 1164629965 /nfs/dbraw/zinc/62/99/65/1164629965.db2.gz DOODMOUVZHPYJX-NXEZZACHSA-N -1 1 316.369 0.280 20 0 DCADMM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc3c(n2)CNCC3)C1=O ZINC001577208981 1164634954 /nfs/dbraw/zinc/63/49/54/1164634954.db2.gz PYCOZBYUOSCXGY-HNNXBMFYSA-N -1 1 317.349 0.093 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001577218827 1164639536 /nfs/dbraw/zinc/63/95/36/1164639536.db2.gz JURXGZMDWPNVKE-AOOOYVTPSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001577218827 1164639539 /nfs/dbraw/zinc/63/95/39/1164639539.db2.gz JURXGZMDWPNVKE-AOOOYVTPSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001577218732 1164639827 /nfs/dbraw/zinc/63/98/27/1164639827.db2.gz DQTZXHJCSKIWJK-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001577218732 1164639833 /nfs/dbraw/zinc/63/98/33/1164639833.db2.gz DQTZXHJCSKIWJK-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577396222 1164684451 /nfs/dbraw/zinc/68/44/51/1164684451.db2.gz KRDSCGYIGZIJSZ-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCNC(=O)[C@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001577675888 1164762009 /nfs/dbraw/zinc/76/20/09/1164762009.db2.gz GXUOXDYZGXQZKW-QMMMGPOBSA-N -1 1 318.341 0.298 20 0 DCADMM CCCNC(=O)[C@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001577675888 1164762016 /nfs/dbraw/zinc/76/20/16/1164762016.db2.gz GXUOXDYZGXQZKW-QMMMGPOBSA-N -1 1 318.341 0.298 20 0 DCADMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)[C@H]1C[C@@H]1C ZINC001578145879 1164936633 /nfs/dbraw/zinc/93/66/33/1164936633.db2.gz ZLRCSZCPGISYHP-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)[C@H]1C[C@@H]1C ZINC001578145879 1164936641 /nfs/dbraw/zinc/93/66/41/1164936641.db2.gz ZLRCSZCPGISYHP-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM CCNC(=O)CCCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001578234602 1164958558 /nfs/dbraw/zinc/95/85/58/1164958558.db2.gz GRJKBXSKMKQPCN-UHFFFAOYSA-N -1 1 317.353 0.184 20 0 DCADMM CCNC(=O)CCCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001578234602 1164958562 /nfs/dbraw/zinc/95/85/62/1164958562.db2.gz GRJKBXSKMKQPCN-UHFFFAOYSA-N -1 1 317.353 0.184 20 0 DCADMM CCOCCOC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001578377279 1164991160 /nfs/dbraw/zinc/99/11/60/1164991160.db2.gz MWGDLXVFZUPNOY-UHFFFAOYSA-N -1 1 319.369 0.679 20 0 DCADMM CCOCCOC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001578377279 1164991169 /nfs/dbraw/zinc/99/11/69/1164991169.db2.gz MWGDLXVFZUPNOY-UHFFFAOYSA-N -1 1 319.369 0.679 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001578439847 1165017611 /nfs/dbraw/zinc/01/76/11/1165017611.db2.gz CNECFCFFASWPQW-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001578439847 1165017618 /nfs/dbraw/zinc/01/76/18/1165017618.db2.gz CNECFCFFASWPQW-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CCc1nc(N[C@@H](C)C[C@H](C)NC(C)=O)cc(-c2nnn[n-]2)n1 ZINC001578624226 1165072184 /nfs/dbraw/zinc/07/21/84/1165072184.db2.gz NDJHPWBMTYSLSV-IUCAKERBSA-N -1 1 318.385 0.934 20 0 DCADMM CCc1nc(N[C@@H](C)C[C@H](C)NC(C)=O)cc(-c2nn[n-]n2)n1 ZINC001578624226 1165072193 /nfs/dbraw/zinc/07/21/93/1165072193.db2.gz NDJHPWBMTYSLSV-IUCAKERBSA-N -1 1 318.385 0.934 20 0 DCADMM CCc1nc(NC[C@H]2CCCN2C(C)=O)cc(-c2nnn[n-]2)n1 ZINC001578654869 1165082405 /nfs/dbraw/zinc/08/24/05/1165082405.db2.gz BSLNSCGJSSXKCS-SNVBAGLBSA-N -1 1 316.369 0.642 20 0 DCADMM CCc1nc(NC[C@H]2CCCN2C(C)=O)cc(-c2nn[n-]n2)n1 ZINC001578654869 1165082419 /nfs/dbraw/zinc/08/24/19/1165082419.db2.gz BSLNSCGJSSXKCS-SNVBAGLBSA-N -1 1 316.369 0.642 20 0 DCADMM CCn1cnnc1CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001578801638 1165119550 /nfs/dbraw/zinc/11/95/50/1165119550.db2.gz RXAUIRBVSRIBPN-UHFFFAOYSA-N -1 1 318.366 0.512 20 0 DCADMM CN(C(=O)C1CC1)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001578847733 1165140191 /nfs/dbraw/zinc/14/01/91/1165140191.db2.gz DHECTZHTKADVAE-UHFFFAOYSA-N -1 1 314.353 0.468 20 0 DCADMM CN(C(=O)C1CC1)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001578847733 1165140196 /nfs/dbraw/zinc/14/01/96/1165140196.db2.gz DHECTZHTKADVAE-UHFFFAOYSA-N -1 1 314.353 0.468 20 0 DCADMM CN(C)C(=O)CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001578958709 1165170287 /nfs/dbraw/zinc/17/02/87/1165170287.db2.gz IHWMSINRADVQCD-UHFFFAOYSA-N -1 1 313.321 0.166 20 0 DCADMM CN(C)c1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001579000050 1165185009 /nfs/dbraw/zinc/18/50/09/1165185009.db2.gz OKIJOUIVOONGPJ-UHFFFAOYSA-N -1 1 324.348 0.904 20 0 DCADMM CN(C)c1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001579000050 1165185011 /nfs/dbraw/zinc/18/50/11/1165185011.db2.gz OKIJOUIVOONGPJ-UHFFFAOYSA-N -1 1 324.348 0.904 20 0 DCADMM CN(CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001579010965 1165187841 /nfs/dbraw/zinc/18/78/41/1165187841.db2.gz QDAIEHFAUNSDSC-UHFFFAOYSA-N -1 1 322.329 0.395 20 0 DCADMM CN(CCNC(=O)[C@H]1CC12CC2)c1nccnc1-c1nnn[n-]1 ZINC001579166655 1165228706 /nfs/dbraw/zinc/22/87/06/1165228706.db2.gz HGULYAJDTPQPAY-SECBINFHSA-N -1 1 314.353 0.009 20 0 DCADMM CN(CCNC(=O)[C@H]1CC12CC2)c1nccnc1-c1nn[n-]n1 ZINC001579166655 1165228711 /nfs/dbraw/zinc/22/87/11/1165228711.db2.gz HGULYAJDTPQPAY-SECBINFHSA-N -1 1 314.353 0.009 20 0 DCADMM CN(CCNC(=O)[C@H]1CC12CC2)c1cncc(-c2nnn[n-]2)n1 ZINC001579167233 1165228760 /nfs/dbraw/zinc/22/87/60/1165228760.db2.gz QHRVKKZOHFPHET-SECBINFHSA-N -1 1 314.353 0.009 20 0 DCADMM CN(CCNC(=O)[C@H]1CC12CC2)c1cncc(-c2nn[n-]n2)n1 ZINC001579167233 1165228768 /nfs/dbraw/zinc/22/87/68/1165228768.db2.gz QHRVKKZOHFPHET-SECBINFHSA-N -1 1 314.353 0.009 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)c1ccoc1 ZINC001579226954 1165243795 /nfs/dbraw/zinc/24/37/95/1165243795.db2.gz JVCXYBRZJLYKIK-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)c1ccoc1 ZINC001579226954 1165243805 /nfs/dbraw/zinc/24/38/05/1165243805.db2.gz JVCXYBRZJLYKIK-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM CN(Cc1nccn1C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579266204 1165255142 /nfs/dbraw/zinc/25/51/42/1165255142.db2.gz XIQCZMILBOUREF-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM CN(Cc1nccn1C)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579266204 1165255149 /nfs/dbraw/zinc/25/51/49/1165255149.db2.gz XIQCZMILBOUREF-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C1 ZINC001579446791 1165312814 /nfs/dbraw/zinc/31/28/14/1165312814.db2.gz PZUAFDWFFBMXDY-RGOKHQFPSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001579446791 1165312819 /nfs/dbraw/zinc/31/28/19/1165312819.db2.gz PZUAFDWFFBMXDY-RGOKHQFPSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)C[C@@H]1CC[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001579451523 1165313809 /nfs/dbraw/zinc/31/38/09/1165313809.db2.gz ZHBCSWHDKUBVJR-SCZZXKLOSA-N -1 1 319.321 0.921 20 0 DCADMM COC(=O)C[C@@H]1CC[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001579451523 1165313815 /nfs/dbraw/zinc/31/38/15/1165313815.db2.gz ZHBCSWHDKUBVJR-SCZZXKLOSA-N -1 1 319.321 0.921 20 0 DCADMM COC(=O)[C@H]1C[C@@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001579474840 1165325133 /nfs/dbraw/zinc/32/51/33/1165325133.db2.gz XOSACKSEZUQIDZ-OTSSQURYSA-N -1 1 317.309 0.335 20 0 DCADMM COC(=O)[C@H]1C[C@@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001579474840 1165325135 /nfs/dbraw/zinc/32/51/35/1165325135.db2.gz XOSACKSEZUQIDZ-OTSSQURYSA-N -1 1 317.309 0.335 20 0 DCADMM COC(=O)c1cc(C)c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)o1 ZINC001579476556 1165325328 /nfs/dbraw/zinc/32/53/28/1165325328.db2.gz QBOSHDOEOBTTMP-UHFFFAOYSA-N -1 1 317.265 0.530 20 0 DCADMM COC(=O)c1ccc(Cn2ccc(-c3nn[n-]n3)cc2=O)cc1 ZINC001579482301 1165326397 /nfs/dbraw/zinc/32/63/97/1165326397.db2.gz CARFGMGSHSLBSK-UHFFFAOYSA-N -1 1 311.301 0.863 20 0 DCADMM COC(=O)c1cccc(Cn2cc(-c3nn[n-]n3)nn2)c1Cl ZINC001579488032 1165329940 /nfs/dbraw/zinc/32/99/40/1165329940.db2.gz XAHAWVCYXZBIHR-UHFFFAOYSA-N -1 1 319.712 0.947 20 0 DCADMM CO[C@@H](C)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001579544911 1165342223 /nfs/dbraw/zinc/34/22/23/1165342223.db2.gz NSTAQYFZGOMUEY-QMMMGPOBSA-N -1 1 322.394 0.264 20 0 DCADMM CO[C@@H](Cc1ccccc1)C(=O)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001579596772 1165355291 /nfs/dbraw/zinc/35/52/91/1165355291.db2.gz XDXNKKRUFGCQPQ-NSHDSACASA-N -1 1 313.321 0.786 20 0 DCADMM CO[C@@H](Cc1ccccc1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001579596772 1165355309 /nfs/dbraw/zinc/35/53/09/1165355309.db2.gz XDXNKKRUFGCQPQ-NSHDSACASA-N -1 1 313.321 0.786 20 0 DCADMM COC1CCC(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001579613377 1165360056 /nfs/dbraw/zinc/36/00/56/1165360056.db2.gz VJUGQCQOSVUBPV-IDKOKCKLSA-N -1 1 320.357 0.093 20 0 DCADMM COc1ncc(NC(=O)c2cc(C)nn2C)cc1-c1nn[n-]n1 ZINC001580138702 1165516187 /nfs/dbraw/zinc/51/61/87/1165516187.db2.gz OHZFAUNCFAOLGL-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CCCC1 ZINC001580414405 1165597853 /nfs/dbraw/zinc/59/78/53/1165597853.db2.gz YYGJAYAZYOGABY-SECBINFHSA-N -1 1 316.369 0.185 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccccc1 ZINC001580415260 1165598226 /nfs/dbraw/zinc/59/82/26/1165598226.db2.gz BMFHXNDKFYAYDU-SNVBAGLBSA-N -1 1 324.348 0.887 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccccc1 ZINC001580415260 1165598233 /nfs/dbraw/zinc/59/82/33/1165598233.db2.gz BMFHXNDKFYAYDU-SNVBAGLBSA-N -1 1 324.348 0.887 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001580452567 1165604784 /nfs/dbraw/zinc/60/47/84/1165604784.db2.gz SWKMAGUVIXTUJW-GUBZILKMSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001580452567 1165604787 /nfs/dbraw/zinc/60/47/87/1165604787.db2.gz SWKMAGUVIXTUJW-GUBZILKMSA-N -1 1 314.353 0.008 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1CCOCC1 ZINC001580601734 1165650911 /nfs/dbraw/zinc/65/09/11/1165650911.db2.gz MZPDTBDQAKXQNI-UHFFFAOYSA-N -1 1 304.310 0.185 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@]1(C)CCCOC1 ZINC001580601703 1165651710 /nfs/dbraw/zinc/65/17/10/1165651710.db2.gz MDXAFRUFQGJAOI-CQSZACIVSA-N -1 1 318.337 0.575 20 0 DCADMM Cc1ccc(C)c(Oc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)c1 ZINC001581182514 1165793579 /nfs/dbraw/zinc/79/35/79/1165793579.db2.gz HGFFUSDRKOWTLM-UHFFFAOYSA-N -1 1 314.305 0.663 20 0 DCADMM Cc1ccc(Cn2cncc(-c3nn[n-]n3)c2=O)nc1Cl ZINC001581202425 1165798074 /nfs/dbraw/zinc/79/80/74/1165798074.db2.gz RJMQWYLSHUYORD-UHFFFAOYSA-N -1 1 303.713 0.829 20 0 DCADMM Cc1conc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001581381856 1165819706 /nfs/dbraw/zinc/81/97/06/1165819706.db2.gz WEBCMCZJCRWDCU-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1conc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001581381856 1165819711 /nfs/dbraw/zinc/81/97/11/1165819711.db2.gz WEBCMCZJCRWDCU-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](c3cnccn3)C2)n1 ZINC001581411416 1165823096 /nfs/dbraw/zinc/82/30/96/1165823096.db2.gz ZNYVKVIEGPPKBF-JTQLQIEISA-N -1 1 309.337 0.749 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](c3cnccn3)C2)n1 ZINC001581411416 1165823100 /nfs/dbraw/zinc/82/31/00/1165823100.db2.gz ZNYVKVIEGPPKBF-JTQLQIEISA-N -1 1 309.337 0.749 20 0 DCADMM Cc1nocc1CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581645071 1165855162 /nfs/dbraw/zinc/85/51/62/1165855162.db2.gz OSNGSJHKKIOXCN-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1nocc1CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581645071 1165855166 /nfs/dbraw/zinc/85/51/66/1165855166.db2.gz OSNGSJHKKIOXCN-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](c2ncon2)C1 ZINC001581726533 1165860918 /nfs/dbraw/zinc/86/09/18/1165860918.db2.gz HGKRTQQDFZXVDK-MRVPVSSYSA-N -1 1 315.293 0.781 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](c2ncon2)C1 ZINC001581726533 1165860924 /nfs/dbraw/zinc/86/09/24/1165860924.db2.gz HGKRTQQDFZXVDK-MRVPVSSYSA-N -1 1 315.293 0.781 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)C[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001581739707 1165866205 /nfs/dbraw/zinc/86/62/05/1165866205.db2.gz XJGRSACBKGWVJT-SCZZXKLOSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)C[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001581739707 1165866209 /nfs/dbraw/zinc/86/62/09/1165866209.db2.gz XJGRSACBKGWVJT-SCZZXKLOSA-N -1 1 320.353 0.183 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)n1 ZINC001581753462 1165869067 /nfs/dbraw/zinc/86/90/67/1165869067.db2.gz FVNUYCFUAIGDHC-XLPZGREQSA-N -1 1 301.310 0.154 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)n1 ZINC001581753462 1165869072 /nfs/dbraw/zinc/86/90/72/1165869072.db2.gz FVNUYCFUAIGDHC-XLPZGREQSA-N -1 1 301.310 0.154 20 0 DCADMM FC(F)(F)c1noc(CNc2ncncc2-c2nn[n-]n2)n1 ZINC001581850994 1165888026 /nfs/dbraw/zinc/88/80/26/1165888026.db2.gz FTQKZJRPPUHCIE-UHFFFAOYSA-N -1 1 313.203 0.671 20 0 DCADMM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001581888405 1165905027 /nfs/dbraw/zinc/90/50/27/1165905027.db2.gz IQFJLHRSTDYEMD-HDBBIHSSSA-N -1 1 316.321 0.186 20 0 DCADMM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001581888405 1165905035 /nfs/dbraw/zinc/90/50/35/1165905035.db2.gz IQFJLHRSTDYEMD-HDBBIHSSSA-N -1 1 316.321 0.186 20 0 DCADMM Nc1n[nH]c(CCNc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC001581910236 1165911810 /nfs/dbraw/zinc/91/18/10/1165911810.db2.gz KXJFXZQTYYMVSI-UHFFFAOYSA-N -1 1 323.324 0.165 20 0 DCADMM Nc1n[nH]c(CCNc2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC001581910236 1165911816 /nfs/dbraw/zinc/91/18/16/1165911816.db2.gz KXJFXZQTYYMVSI-UHFFFAOYSA-N -1 1 323.324 0.165 20 0 DCADMM O=C(C1CCC1)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001581934191 1165916498 /nfs/dbraw/zinc/91/64/98/1165916498.db2.gz UXOXFNKYVAVBLV-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C1CCC1)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001581934191 1165916506 /nfs/dbraw/zinc/91/65/06/1165916506.db2.gz UXOXFNKYVAVBLV-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(CC1CC1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001581968337 1165925241 /nfs/dbraw/zinc/92/52/41/1165925241.db2.gz ZLGFTOBDBIORPD-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CC1CC1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001581968337 1165925255 /nfs/dbraw/zinc/92/52/55/1165925255.db2.gz ZLGFTOBDBIORPD-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CCCF)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001582046444 1165943904 /nfs/dbraw/zinc/94/39/04/1165943904.db2.gz KQHRVWMICQITMP-KYZUINATSA-N -1 1 320.332 0.466 20 0 DCADMM O=C(CCCF)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001582046444 1165943916 /nfs/dbraw/zinc/94/39/16/1165943916.db2.gz KQHRVWMICQITMP-KYZUINATSA-N -1 1 320.332 0.466 20 0 DCADMM O=C(CCc1ccncc1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001582067703 1165948405 /nfs/dbraw/zinc/94/84/05/1165948405.db2.gz UEHHIGCYQWIGDW-UHFFFAOYSA-N -1 1 315.362 0.967 20 0 DCADMM O=C(CCc1ccncc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001582067703 1165948410 /nfs/dbraw/zinc/94/84/10/1165948410.db2.gz UEHHIGCYQWIGDW-UHFFFAOYSA-N -1 1 315.362 0.967 20 0 DCADMM O=C(CCc1cscn1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582078937 1165951084 /nfs/dbraw/zinc/95/10/84/1165951084.db2.gz VPCOEYQXJXAGKF-UHFFFAOYSA-N -1 1 315.362 0.967 20 0 DCADMM O=C(CCc1cscn1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582078937 1165951090 /nfs/dbraw/zinc/95/10/90/1165951090.db2.gz VPCOEYQXJXAGKF-UHFFFAOYSA-N -1 1 315.362 0.967 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCc1ccc(O)cc1 ZINC001582137964 1165967697 /nfs/dbraw/zinc/96/76/97/1165967697.db2.gz OPNZNVJZYGZLIF-UHFFFAOYSA-N -1 1 324.344 0.869 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCc1ccc(O)cc1 ZINC001582137964 1165967703 /nfs/dbraw/zinc/96/77/03/1165967703.db2.gz OPNZNVJZYGZLIF-UHFFFAOYSA-N -1 1 324.344 0.869 20 0 DCADMM O=C(NC1(CO)CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001582244991 1165991504 /nfs/dbraw/zinc/99/15/04/1165991504.db2.gz PGXJVEAGAYFCEQ-UHFFFAOYSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001582260005 1165992901 /nfs/dbraw/zinc/99/29/01/1165992901.db2.gz XXNNVXNORUCDTB-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001582260005 1165992905 /nfs/dbraw/zinc/99/29/05/1165992905.db2.gz XXNNVXNORUCDTB-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@@H](O)c1cncs1)c1csc(-c2nn[n-]n2)c1 ZINC001582381220 1166009170 /nfs/dbraw/zinc/00/91/70/1166009170.db2.gz IYKNJFQQZCMRNK-SSDOTTSWSA-N -1 1 322.375 0.848 20 0 DCADMM O=C(NCC[C@H](O)C(F)(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001582492949 1166026997 /nfs/dbraw/zinc/02/69/97/1166026997.db2.gz SJBKUWYYFSBHMP-ZETCQYMHSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccsc1Cl ZINC001582528832 1166032329 /nfs/dbraw/zinc/03/23/29/1166032329.db2.gz OYBLSJGZKIMTSP-UHFFFAOYSA-N -1 1 324.757 0.603 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1C[C@@H]2C[C@]2(CO)C1 ZINC001582548648 1166038349 /nfs/dbraw/zinc/03/83/49/1166038349.db2.gz FVVRGEKISAASOK-ISVAXAHUSA-N -1 1 320.378 0.452 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CC[C@@]2(O)C[C@H]2C1 ZINC001582549368 1166039254 /nfs/dbraw/zinc/03/92/54/1166039254.db2.gz XONBGJXCBSUEEY-ISVAXAHUSA-N -1 1 320.378 0.595 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ncc(F)cc1F ZINC001582554486 1166040922 /nfs/dbraw/zinc/04/09/22/1166040922.db2.gz LQKJBDHQTHEZRR-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ncc(F)cc1F ZINC001582554486 1166040925 /nfs/dbraw/zinc/04/09/25/1166040925.db2.gz LQKJBDHQTHEZRR-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@]1(O)CCSC1 ZINC001582629494 1166054858 /nfs/dbraw/zinc/05/48/58/1166054858.db2.gz QSRPOHSGMVIAJE-LBPRGKRZSA-N -1 1 321.366 0.274 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(-c2cn[nH]c2)cn1 ZINC001582631001 1166055071 /nfs/dbraw/zinc/05/50/71/1166055071.db2.gz XBUYCDGCVWGXAC-UHFFFAOYSA-N -1 1 322.292 0.627 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(-c2cn[nH]c2)cn1 ZINC001582631001 1166055076 /nfs/dbraw/zinc/05/50/76/1166055076.db2.gz XBUYCDGCVWGXAC-UHFFFAOYSA-N -1 1 322.292 0.627 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccnc(OC(F)F)c1 ZINC001582650593 1166060241 /nfs/dbraw/zinc/06/02/41/1166060241.db2.gz WPHGYJXHARDQNN-UHFFFAOYSA-N -1 1 322.235 0.839 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC(c2ncon2)CC1 ZINC001582741644 1166072666 /nfs/dbraw/zinc/07/26/66/1166072666.db2.gz DXPBGOYERBJGPF-UHFFFAOYSA-N -1 1 315.293 0.863 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC(c2ncon2)CC1 ZINC001582741644 1166072673 /nfs/dbraw/zinc/07/26/73/1166072673.db2.gz DXPBGOYERBJGPF-UHFFFAOYSA-N -1 1 315.293 0.863 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc2c1CC(=O)CC2 ZINC001582774961 1166080710 /nfs/dbraw/zinc/08/07/10/1166080710.db2.gz QMRVMHXXPZDWIY-UHFFFAOYSA-N -1 1 323.316 0.900 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc2c1CC(=O)CC2 ZINC001582774961 1166080714 /nfs/dbraw/zinc/08/07/14/1166080714.db2.gz QMRVMHXXPZDWIY-UHFFFAOYSA-N -1 1 323.316 0.900 20 0 DCADMM O=C1Nc2ccccc2CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001582789310 1166081416 /nfs/dbraw/zinc/08/14/16/1166081416.db2.gz KDAHWUNDRZSKTQ-NSHDSACASA-N -1 1 322.332 0.444 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001582791245 1166081900 /nfs/dbraw/zinc/08/19/00/1166081900.db2.gz WNADUMPIHWVEMN-XPUUQOCRSA-N -1 1 305.319 0.173 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001582791245 1166081908 /nfs/dbraw/zinc/08/19/08/1166081908.db2.gz WNADUMPIHWVEMN-XPUUQOCRSA-N -1 1 305.319 0.173 20 0 DCADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1cccc(F)c1 ZINC001582809608 1166088730 /nfs/dbraw/zinc/08/87/30/1166088730.db2.gz LGJBAJKONMRXKJ-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1cccc(F)c1 ZINC001582809608 1166088735 /nfs/dbraw/zinc/08/87/35/1166088735.db2.gz LGJBAJKONMRXKJ-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1cncc(-c2nnn[n-]2)n1)Cc1ccccc1F ZINC001582809750 1166089871 /nfs/dbraw/zinc/08/98/71/1166089871.db2.gz OLPPGDBJVKBZFS-JTQLQIEISA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1cncc(-c2nn[n-]n2)n1)Cc1ccccc1F ZINC001582809750 1166089877 /nfs/dbraw/zinc/08/98/77/1166089877.db2.gz OLPPGDBJVKBZFS-JTQLQIEISA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001582812712 1166090472 /nfs/dbraw/zinc/09/04/72/1166090472.db2.gz QLTAZEBYVXIDEL-VIFPVBQESA-N -1 1 319.275 0.502 20 0 DCADMM OC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@H](O)C1CCCCC1 ZINC001582810949 1166092308 /nfs/dbraw/zinc/09/23/08/1166092308.db2.gz WTCVXGLNNIXEOS-WCQYABFASA-N -1 1 319.369 0.371 20 0 DCADMM OC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@H](O)C1CCCCC1 ZINC001582810949 1166092314 /nfs/dbraw/zinc/09/23/14/1166092314.db2.gz WTCVXGLNNIXEOS-WCQYABFASA-N -1 1 319.369 0.371 20 0 DCADMM NC(=O)c1ccc(C=CC(=O)N2CCC(c3nn[n-]n3)CC2)o1 ZINC001587875037 1166512929 /nfs/dbraw/zinc/51/29/29/1166512929.db2.gz MENZQKLBYNMBIG-DUXPYHPUSA-N -1 1 316.321 0.311 20 0 DCADMM COC(=O)c1ncoc1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC001588290028 1166519488 /nfs/dbraw/zinc/51/94/88/1166519488.db2.gz AIMKFSQZQJBGTK-UHFFFAOYSA-N -1 1 304.258 0.666 20 0 DCADMM CC(=Cc1ccco1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588771965 1166586177 /nfs/dbraw/zinc/58/61/77/1166586177.db2.gz GKNZALBNRSAUDD-CLFYSBASSA-N -1 1 314.309 0.271 20 0 DCADMM CC(=O)C(C)(C)COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588781892 1166589896 /nfs/dbraw/zinc/58/98/96/1166589896.db2.gz KPBPSVCCBAIGDZ-ZETCQYMHSA-N -1 1 307.314 0.178 20 0 DCADMM CC(=O)N1CC(C(=O)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001588806862 1166591692 /nfs/dbraw/zinc/59/16/92/1166591692.db2.gz KONKWUSRUZNLAQ-UHFFFAOYSA-N -1 1 307.339 0.048 20 0 DCADMM CC(=O)N1CC(C(=O)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001588806862 1166591695 /nfs/dbraw/zinc/59/16/95/1166591695.db2.gz KONKWUSRUZNLAQ-UHFFFAOYSA-N -1 1 307.339 0.048 20 0 DCADMM CC(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588810629 1166595544 /nfs/dbraw/zinc/59/55/44/1166595544.db2.gz BESADQMIYKYKDC-CYBMUJFWSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588810629 1166595551 /nfs/dbraw/zinc/59/55/51/1166595551.db2.gz BESADQMIYKYKDC-CYBMUJFWSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588819270 1166597529 /nfs/dbraw/zinc/59/75/29/1166597529.db2.gz XPKVSOMPCBZFAK-SNVBAGLBSA-N -1 1 302.342 0.388 20 0 DCADMM CC(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588819270 1166597534 /nfs/dbraw/zinc/59/75/34/1166597534.db2.gz XPKVSOMPCBZFAK-SNVBAGLBSA-N -1 1 302.342 0.388 20 0 DCADMM CC(=O)NC(C)(C)c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001588831380 1166599764 /nfs/dbraw/zinc/59/97/64/1166599764.db2.gz BUFMWTOUOUWOBR-UHFFFAOYSA-N -1 1 314.309 0.683 20 0 DCADMM CC(=O)NC(C)(C)c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001588831380 1166599767 /nfs/dbraw/zinc/59/97/67/1166599767.db2.gz BUFMWTOUOUWOBR-UHFFFAOYSA-N -1 1 314.309 0.683 20 0 DCADMM CC(=O)N1C[C@H]2CN(c3ccc(C)c(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001588827934 1166600759 /nfs/dbraw/zinc/60/07/59/1166600759.db2.gz IUXIGPBJCJAEOJ-TXEJJXNPSA-N -1 1 313.365 0.485 20 0 DCADMM CC(=O)N1C[C@H]2CN(c3ccc(C)c(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001588827934 1166600763 /nfs/dbraw/zinc/60/07/63/1166600763.db2.gz IUXIGPBJCJAEOJ-TXEJJXNPSA-N -1 1 313.365 0.485 20 0 DCADMM CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588841757 1166605031 /nfs/dbraw/zinc/60/50/31/1166605031.db2.gz PYCNJPSNSLJGMG-SCZZXKLOSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588841757 1166605036 /nfs/dbraw/zinc/60/50/36/1166605036.db2.gz PYCNJPSNSLJGMG-SCZZXKLOSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588840327 1166606899 /nfs/dbraw/zinc/60/68/99/1166606899.db2.gz ZYJXDUAGBRQBRJ-NXEZZACHSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588840327 1166606908 /nfs/dbraw/zinc/60/69/08/1166606908.db2.gz ZYJXDUAGBRQBRJ-NXEZZACHSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588851593 1166608147 /nfs/dbraw/zinc/60/81/47/1166608147.db2.gz DYYFXCLZAFDFKY-SCSAIBSYSA-N -1 1 301.763 0.913 20 0 DCADMM CC(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588851593 1166608152 /nfs/dbraw/zinc/60/81/52/1166608152.db2.gz DYYFXCLZAFDFKY-SCSAIBSYSA-N -1 1 301.763 0.913 20 0 DCADMM CC(=O)NC[C@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001588855755 1166608764 /nfs/dbraw/zinc/60/87/64/1166608764.db2.gz ZOYOYIZVLNSONJ-SNVBAGLBSA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NC[C@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001588855755 1166608769 /nfs/dbraw/zinc/60/87/69/1166608769.db2.gz ZOYOYIZVLNSONJ-SNVBAGLBSA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NCC(C)(C)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001588852169 1166609441 /nfs/dbraw/zinc/60/94/41/1166609441.db2.gz SQGMQXILQUEGSE-UHFFFAOYSA-N -1 1 324.366 0.529 20 0 DCADMM CC(=O)NCC(C)(C)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001588852169 1166609446 /nfs/dbraw/zinc/60/94/46/1166609446.db2.gz SQGMQXILQUEGSE-UHFFFAOYSA-N -1 1 324.366 0.529 20 0 DCADMM CC(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588868291 1166614029 /nfs/dbraw/zinc/61/40/29/1166614029.db2.gz QXQKDYKZNZAWDC-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM CC(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588868291 1166614033 /nfs/dbraw/zinc/61/40/33/1166614033.db2.gz QXQKDYKZNZAWDC-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](C(=O)NC12CCC(CC1)CC2)n1cnc(-c2nn[n-]n2)n1 ZINC001588970365 1166623419 /nfs/dbraw/zinc/62/34/19/1166623419.db2.gz GGROBAHERAVNJK-NAUIOFCNSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@H](C(=O)NCc1cccs1)n1cnc(-c2nn[n-]n2)n1 ZINC001588998905 1166626826 /nfs/dbraw/zinc/62/68/26/1166626826.db2.gz HBIYERBFXPNJGF-SSDOTTSWSA-N -1 1 304.339 0.397 20 0 DCADMM C[C@H](C(=O)Nc1cnc2[nH]ccc2c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589020583 1166629443 /nfs/dbraw/zinc/62/94/43/1166629443.db2.gz JETXXIHNPGAMFP-SSDOTTSWSA-N -1 1 324.308 0.486 20 0 DCADMM C[C@H](C(=O)OCc1ccns1)n1cnc(-c2nn[n-]n2)n1 ZINC001589032058 1166630587 /nfs/dbraw/zinc/63/05/87/1166630587.db2.gz GFEVOMYCDZLSAQ-ZCFIWIBFSA-N -1 1 306.311 0.219 20 0 DCADMM C[C@@H](C(=O)OC[C@H]1CCCCS1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028877 1166631454 /nfs/dbraw/zinc/63/14/54/1166631454.db2.gz ZHHOKBOZIMRBFL-DTWKUNHWSA-N -1 1 323.382 0.848 20 0 DCADMM CC(C)(C(=O)Cn1cncc(-c2nn[n-]n2)c1=O)c1ccccc1 ZINC001589036224 1166631964 /nfs/dbraw/zinc/63/19/64/1166631964.db2.gz ZSHKVWDOQSZJSZ-UHFFFAOYSA-N -1 1 324.344 0.970 20 0 DCADMM CC(C)(C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1nccs1 ZINC001589058789 1166633618 /nfs/dbraw/zinc/63/36/18/1166633618.db2.gz YHYQTTXHWNPVLN-UHFFFAOYSA-N -1 1 304.339 0.963 20 0 DCADMM CC(C)(C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1nccs1 ZINC001589058789 1166633622 /nfs/dbraw/zinc/63/36/22/1166633622.db2.gz YHYQTTXHWNPVLN-UHFFFAOYSA-N -1 1 304.339 0.963 20 0 DCADMM CC(C)(C)C(=O)N1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001589078984 1166633868 /nfs/dbraw/zinc/63/38/68/1166633868.db2.gz CDNCQMNIIJEFFB-UHFFFAOYSA-N -1 1 315.381 0.956 20 0 DCADMM CC(C)(C)C(=O)N1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001589078984 1166633870 /nfs/dbraw/zinc/63/38/70/1166633870.db2.gz CDNCQMNIIJEFFB-UHFFFAOYSA-N -1 1 315.381 0.956 20 0 DCADMM CC(C)(C)OC(=O)NCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589183267 1166639214 /nfs/dbraw/zinc/63/92/14/1166639214.db2.gz PGCXVXZIIZTSPE-UHFFFAOYSA-N -1 1 322.325 0.714 20 0 DCADMM CC(C)(C)OC(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589183267 1166639220 /nfs/dbraw/zinc/63/92/20/1166639220.db2.gz PGCXVXZIIZTSPE-UHFFFAOYSA-N -1 1 322.325 0.714 20 0 DCADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)o1)N1CCOCC1 ZINC001589283470 1166642022 /nfs/dbraw/zinc/64/20/22/1166642022.db2.gz UEUJHKBAMZICQV-UHFFFAOYSA-N -1 1 320.353 0.300 20 0 DCADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)o1)N1CCOCC1 ZINC001589283470 1166642025 /nfs/dbraw/zinc/64/20/25/1166642025.db2.gz UEUJHKBAMZICQV-UHFFFAOYSA-N -1 1 320.353 0.300 20 0 DCADMM CC(C)(CNc1ncncc1-c1nn[n-]n1)[C@@]1(O)CCCOC1 ZINC001589291890 1166645047 /nfs/dbraw/zinc/64/50/47/1166645047.db2.gz CTXNYLARSCJDKM-CQSZACIVSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@H](O)C(F)(F)F ZINC001589319492 1166646646 /nfs/dbraw/zinc/64/66/46/1166646646.db2.gz OJCVDOKRYGOTAI-VIFPVBQESA-N -1 1 319.243 0.891 20 0 DCADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@H](O)C(F)(F)F ZINC001589319492 1166646653 /nfs/dbraw/zinc/64/66/53/1166646653.db2.gz OJCVDOKRYGOTAI-VIFPVBQESA-N -1 1 319.243 0.891 20 0 DCADMM CC(C)=CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589369872 1166652181 /nfs/dbraw/zinc/65/21/81/1166652181.db2.gz DPPAXSIGJJOCRQ-MGCOHNPYSA-N -1 1 314.353 0.104 20 0 DCADMM CC(C)[C@@H](O)C1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001589476942 1166660605 /nfs/dbraw/zinc/66/06/05/1166660605.db2.gz XAPWOKQNBYVZAR-LLVKDONJSA-N -1 1 305.338 0.987 20 0 DCADMM CC(C)[C@@H](O)C1(CNC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001589476942 1166660615 /nfs/dbraw/zinc/66/06/15/1166660615.db2.gz XAPWOKQNBYVZAR-LLVKDONJSA-N -1 1 305.338 0.987 20 0 DCADMM CC(C)CCC(=O)NCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001589582305 1166666896 /nfs/dbraw/zinc/66/68/96/1166666896.db2.gz FWVFVAZSTKEWEQ-UHFFFAOYSA-N -1 1 304.358 0.043 20 0 DCADMM CC(C)C[C@]1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCNC1=O ZINC001589566264 1166667826 /nfs/dbraw/zinc/66/78/26/1166667826.db2.gz OOBNBBNNMKBFBY-CYBMUJFWSA-N -1 1 318.341 0.081 20 0 DCADMM CC(C)C[C@]1(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCNC1=O ZINC001589566264 1166667828 /nfs/dbraw/zinc/66/78/28/1166667828.db2.gz OOBNBBNNMKBFBY-CYBMUJFWSA-N -1 1 318.341 0.081 20 0 DCADMM CC(C)CNC(=O)[C@@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589633325 1166669747 /nfs/dbraw/zinc/66/97/47/1166669747.db2.gz XGEFCDLTHMZRDV-SECBINFHSA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)CNC(=O)[C@@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589633325 1166669751 /nfs/dbraw/zinc/66/97/51/1166669751.db2.gz XGEFCDLTHMZRDV-SECBINFHSA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)OC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001589745898 1166681034 /nfs/dbraw/zinc/68/10/34/1166681034.db2.gz GTYMEWWGXAACRE-SNVBAGLBSA-N -1 1 321.337 0.726 20 0 DCADMM CC(C)OC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001589745898 1166681039 /nfs/dbraw/zinc/68/10/39/1166681039.db2.gz GTYMEWWGXAACRE-SNVBAGLBSA-N -1 1 321.337 0.726 20 0 DCADMM CC(C)n1cc(CN(C)c2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001589782273 1166686007 /nfs/dbraw/zinc/68/60/07/1166686007.db2.gz PSCHESWSQNELIP-UHFFFAOYSA-N -1 1 300.330 0.466 20 0 DCADMM CC(C)n1cc(CN(C)c2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001589782273 1166686010 /nfs/dbraw/zinc/68/60/10/1166686010.db2.gz PSCHESWSQNELIP-UHFFFAOYSA-N -1 1 300.330 0.466 20 0 DCADMM C[C@H](CC(=O)NCCNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001589791951 1166688482 /nfs/dbraw/zinc/68/84/82/1166688482.db2.gz NEZRFJSZHKJQOF-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CC(=O)NCCNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001589791951 1166688487 /nfs/dbraw/zinc/68/84/87/1166688487.db2.gz NEZRFJSZHKJQOF-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CCC1CC1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001589806276 1166689672 /nfs/dbraw/zinc/68/96/72/1166689672.db2.gz ZMVKVUDUVNYMDO-QMMMGPOBSA-N -1 1 319.369 0.255 20 0 DCADMM C[C@H](CNC(=O)CC1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001589855253 1166699236 /nfs/dbraw/zinc/69/92/36/1166699236.db2.gz UCMNCBPSBRDMBY-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNC(=O)CC1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001589855253 1166699239 /nfs/dbraw/zinc/69/92/39/1166699239.db2.gz UCMNCBPSBRDMBY-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1CC1 ZINC001589880838 1166705005 /nfs/dbraw/zinc/70/50/05/1166705005.db2.gz UVVLUIIXGJGWLT-MRVPVSSYSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1CC1 ZINC001589880838 1166705010 /nfs/dbraw/zinc/70/50/10/1166705010.db2.gz UVVLUIIXGJGWLT-MRVPVSSYSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H](O)C(F)(F)F ZINC001589944782 1166725827 /nfs/dbraw/zinc/72/58/27/1166725827.db2.gz VIMVGEPWYSFWKZ-CLZZGJSISA-N -1 1 305.216 0.501 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@@H](O)C(F)(F)F ZINC001589944782 1166725836 /nfs/dbraw/zinc/72/58/36/1166725836.db2.gz VIMVGEPWYSFWKZ-CLZZGJSISA-N -1 1 305.216 0.501 20 0 DCADMM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001589945528 1166727971 /nfs/dbraw/zinc/72/79/71/1166727971.db2.gz CVUYXOSWGNELTP-VIFPVBQESA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC001589945528 1166727976 /nfs/dbraw/zinc/72/79/76/1166727976.db2.gz CVUYXOSWGNELTP-VIFPVBQESA-N -1 1 302.338 0.807 20 0 DCADMM CC1(C)C[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCS1 ZINC001590080412 1166767388 /nfs/dbraw/zinc/76/73/88/1166767388.db2.gz MLACCRHPWIHALC-MRVPVSSYSA-N -1 1 322.398 0.249 20 0 DCADMM CC1(C)[C@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)[C@@H]2CCO[C@@H]21 ZINC001590077268 1166769051 /nfs/dbraw/zinc/76/90/51/1166769051.db2.gz ROADHAASXZNHNG-WCQGTBRESA-N -1 1 314.349 0.805 20 0 DCADMM CC1(C)[C@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)[C@@H]2CCO[C@@H]21 ZINC001590077268 1166769055 /nfs/dbraw/zinc/76/90/55/1166769055.db2.gz ROADHAASXZNHNG-WCQGTBRESA-N -1 1 314.349 0.805 20 0 DCADMM CC1(C)C[C@H]1C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590088105 1166770044 /nfs/dbraw/zinc/77/00/44/1166770044.db2.gz JSYCFQVTJPDOEI-QMMMGPOBSA-N -1 1 302.342 0.231 20 0 DCADMM CC1(C)C[C@H]1C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590088105 1166770054 /nfs/dbraw/zinc/77/00/54/1166770054.db2.gz JSYCFQVTJPDOEI-QMMMGPOBSA-N -1 1 302.342 0.231 20 0 DCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@]2(CCOC2)O1 ZINC001590107746 1166777792 /nfs/dbraw/zinc/77/77/92/1166777792.db2.gz BCDYDABBPWFKIX-AWEZNQCLSA-N -1 1 317.353 0.431 20 0 DCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@]2(CCOC2)O1 ZINC001590107746 1166777794 /nfs/dbraw/zinc/77/77/94/1166777794.db2.gz BCDYDABBPWFKIX-AWEZNQCLSA-N -1 1 317.353 0.431 20 0 DCADMM CC1(C)CNC(=O)[C@H]1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590108964 1166777830 /nfs/dbraw/zinc/77/78/30/1166777830.db2.gz CLZUOGSZIMIINE-SNVBAGLBSA-N -1 1 314.353 0.471 20 0 DCADMM CC1(C)CNC(=O)[C@H]1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590108964 1166777833 /nfs/dbraw/zinc/77/78/33/1166777833.db2.gz CLZUOGSZIMIINE-SNVBAGLBSA-N -1 1 314.353 0.471 20 0 DCADMM CC1(CC(=O)NCCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001590123069 1166781583 /nfs/dbraw/zinc/78/15/83/1166781583.db2.gz OEYJCFFKDJBEQI-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CC1(CC(=O)NCCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001590123069 1166781590 /nfs/dbraw/zinc/78/15/90/1166781590.db2.gz OEYJCFFKDJBEQI-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CC1(F)CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590141534 1166787069 /nfs/dbraw/zinc/78/70/69/1166787069.db2.gz HTBWBGFPMRECNY-UHFFFAOYSA-N -1 1 315.305 0.738 20 0 DCADMM CC1(F)CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590141534 1166787073 /nfs/dbraw/zinc/78/70/73/1166787073.db2.gz HTBWBGFPMRECNY-UHFFFAOYSA-N -1 1 315.305 0.738 20 0 DCADMM CC1(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCOCC1 ZINC001590145130 1166788324 /nfs/dbraw/zinc/78/83/24/1166788324.db2.gz PVACNMHZTCECCZ-UHFFFAOYSA-N -1 1 303.326 0.952 20 0 DCADMM CC1(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCOCC1 ZINC001590145130 1166788330 /nfs/dbraw/zinc/78/83/30/1166788330.db2.gz PVACNMHZTCECCZ-UHFFFAOYSA-N -1 1 303.326 0.952 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@]2(C)CC(C)=NO2)c1-c1nnn[n-]1 ZINC001590161046 1166793413 /nfs/dbraw/zinc/79/34/13/1166793413.db2.gz CIMVBWFQIRJTNP-LBPRGKRZSA-N -1 1 304.314 0.402 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@]2(C)CC(C)=NO2)c1-c1nn[n-]n1 ZINC001590161046 1166793419 /nfs/dbraw/zinc/79/34/19/1166793419.db2.gz CIMVBWFQIRJTNP-LBPRGKRZSA-N -1 1 304.314 0.402 20 0 DCADMM C[C@@H]1C(=O)NCCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590165604 1166795588 /nfs/dbraw/zinc/79/55/88/1166795588.db2.gz NLPWTUWQIONFMF-ZCFIWIBFSA-N -1 1 322.275 0.105 20 0 DCADMM C[C@@H]1C(=O)NCCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590165604 1166795597 /nfs/dbraw/zinc/79/55/97/1166795597.db2.gz NLPWTUWQIONFMF-ZCFIWIBFSA-N -1 1 322.275 0.105 20 0 DCADMM C[C@@H](C(=O)OC[C@@H]1CC[C@@H](C)O1)n1cnc(-c2nn[n-]n2)n1 ZINC001590231442 1166820593 /nfs/dbraw/zinc/82/05/93/1166820593.db2.gz QHOOXMLDGVIPBQ-VGMNWLOBSA-N -1 1 307.314 0.130 20 0 DCADMM C[C@H]1CCOCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590276783 1166837225 /nfs/dbraw/zinc/83/72/25/1166837225.db2.gz CRNYNRXPGAWIEC-JTQLQIEISA-N -1 1 302.338 0.442 20 0 DCADMM C[C@H]1CCOCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590276783 1166837232 /nfs/dbraw/zinc/83/72/32/1166837232.db2.gz CRNYNRXPGAWIEC-JTQLQIEISA-N -1 1 302.338 0.442 20 0 DCADMM C[C@H]1CCn2cc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)nc2C1 ZINC001590279076 1166840419 /nfs/dbraw/zinc/84/04/19/1166840419.db2.gz BRKVUSARDKCVPB-ZETCQYMHSA-N -1 1 313.325 0.621 20 0 DCADMM C[C@H]1CCn2cc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)nc2C1 ZINC001590279076 1166840426 /nfs/dbraw/zinc/84/04/26/1166840426.db2.gz BRKVUSARDKCVPB-ZETCQYMHSA-N -1 1 313.325 0.621 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H](CO)O1 ZINC001590299997 1166849176 /nfs/dbraw/zinc/84/91/76/1166849176.db2.gz OOKPLRJPFWJARN-IUCAKERBSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H](CO)O1 ZINC001590299997 1166849182 /nfs/dbraw/zinc/84/91/82/1166849182.db2.gz OOKPLRJPFWJARN-IUCAKERBSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@H](C)[C@H](C)O1 ZINC001590311570 1166856043 /nfs/dbraw/zinc/85/60/43/1166856043.db2.gz XVQVOSUEBZLDIL-MXWKQRLJSA-N -1 1 304.354 0.484 20 0 DCADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@](C)(C(F)F)O1 ZINC001590312728 1166856935 /nfs/dbraw/zinc/85/69/35/1166856935.db2.gz PVBGCKPFWMNMLO-MADCSZMMSA-N -1 1 311.296 0.906 20 0 DCADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@](C)(C(F)F)O1 ZINC001590312728 1166856940 /nfs/dbraw/zinc/85/69/40/1166856940.db2.gz PVBGCKPFWMNMLO-MADCSZMMSA-N -1 1 311.296 0.906 20 0 DCADMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@]2(CCCOC2)O1 ZINC001590317109 1166859161 /nfs/dbraw/zinc/85/91/61/1166859161.db2.gz ULSCBKOXXRRNSX-HZMBPMFUSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@]2(CCCOC2)O1 ZINC001590317109 1166859167 /nfs/dbraw/zinc/85/91/67/1166859167.db2.gz ULSCBKOXXRRNSX-HZMBPMFUSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)C[C@@]2(CCCOC2)O1 ZINC001590315558 1166861408 /nfs/dbraw/zinc/86/14/08/1166861408.db2.gz XIZQOGFMRKOIBE-QMTHXVAHSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)C[C@@]2(CCCOC2)O1 ZINC001590315558 1166861412 /nfs/dbraw/zinc/86/14/12/1166861412.db2.gz XIZQOGFMRKOIBE-QMTHXVAHSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC2(CCOCC2)O1 ZINC001590318165 1166862064 /nfs/dbraw/zinc/86/20/64/1166862064.db2.gz RCQNKLJTNVOWQI-JTQLQIEISA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC2(CCOCC2)O1 ZINC001590318165 1166862068 /nfs/dbraw/zinc/86/20/68/1166862068.db2.gz RCQNKLJTNVOWQI-JTQLQIEISA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2C)CCO1 ZINC001590319426 1166862987 /nfs/dbraw/zinc/86/29/87/1166862987.db2.gz BANZZDMDGSIJJH-QMMMGPOBSA-N -1 1 316.325 0.480 20 0 DCADMM C[C@H]1CN(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2C)CCO1 ZINC001590319426 1166862999 /nfs/dbraw/zinc/86/29/99/1166862999.db2.gz BANZZDMDGSIJJH-QMMMGPOBSA-N -1 1 316.325 0.480 20 0 DCADMM C[C@@H]1CO[C@@H](C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)C1 ZINC001590322880 1166864922 /nfs/dbraw/zinc/86/49/22/1166864922.db2.gz VTWKMGXKLOFYBH-TVQRCGJNSA-N -1 1 314.349 0.966 20 0 DCADMM C[C@@H]1CO[C@@H](C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)C1 ZINC001590322880 1166864927 /nfs/dbraw/zinc/86/49/27/1166864927.db2.gz VTWKMGXKLOFYBH-TVQRCGJNSA-N -1 1 314.349 0.966 20 0 DCADMM C[C@H]1COCCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590324602 1166865539 /nfs/dbraw/zinc/86/55/39/1166865539.db2.gz BESKVDGXPPNXEL-QMMMGPOBSA-N -1 1 323.382 0.644 20 0 DCADMM C[C@H]1COCCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590324602 1166865542 /nfs/dbraw/zinc/86/55/42/1166865542.db2.gz BESKVDGXPPNXEL-QMMMGPOBSA-N -1 1 323.382 0.644 20 0 DCADMM C[C@@H]1COCCCN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590325150 1166866068 /nfs/dbraw/zinc/86/60/68/1166866068.db2.gz HJLOZGFMWLCUNU-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM CCC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001590360213 1166883443 /nfs/dbraw/zinc/88/34/43/1166883443.db2.gz WFPJKEGMWBXXQY-VIFPVBQESA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001590360213 1166883447 /nfs/dbraw/zinc/88/34/47/1166883447.db2.gz WFPJKEGMWBXXQY-VIFPVBQESA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590360393 1166884011 /nfs/dbraw/zinc/88/40/11/1166884011.db2.gz YEFKKTDDLORHRE-SECBINFHSA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590360393 1166884016 /nfs/dbraw/zinc/88/40/16/1166884016.db2.gz YEFKKTDDLORHRE-SECBINFHSA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001590364306 1166890510 /nfs/dbraw/zinc/89/05/10/1166890510.db2.gz UESQFOBWEWNMLQ-SECBINFHSA-N -1 1 304.358 0.041 20 0 DCADMM CC[C@@H](C)[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)OC ZINC001590398437 1166897993 /nfs/dbraw/zinc/89/79/93/1166897993.db2.gz BLEXUQZFCYZZSU-SFYZADRCSA-N -1 1 323.357 0.139 20 0 DCADMM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590412217 1166899731 /nfs/dbraw/zinc/89/97/31/1166899731.db2.gz HWEOXDBFWFGOAB-JGVFFNPUSA-N -1 1 322.394 0.961 20 0 DCADMM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590412217 1166899736 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CC[C@@H](F)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590455426 1166913786 /nfs/dbraw/zinc/91/37/86/1166913786.db2.gz AZECGMXUYWGWSR-HTQZYQBOSA-N -1 1 308.321 0.321 20 0 DCADMM CC[C@H]1C[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001590504937 1166927099 /nfs/dbraw/zinc/92/70/99/1166927099.db2.gz MLIZVXVXFHTLQI-UWVGGRQHSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@H]1C[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001590504937 1166927109 /nfs/dbraw/zinc/92/71/09/1166927109.db2.gz MLIZVXVXFHTLQI-UWVGGRQHSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@H]1CCC[C@@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590510309 1166928840 /nfs/dbraw/zinc/92/88/40/1166928840.db2.gz WUJUIYFCSCDAJE-VHSXEESVSA-N -1 1 304.358 0.401 20 0 DCADMM CC[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590501132 1166929090 /nfs/dbraw/zinc/92/90/90/1166929090.db2.gz WMJJDPGPRVZSHD-SECBINFHSA-N -1 1 304.310 0.119 20 0 DCADMM CC[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590501132 1166929096 /nfs/dbraw/zinc/92/90/96/1166929096.db2.gz WMJJDPGPRVZSHD-SECBINFHSA-N -1 1 304.310 0.119 20 0 DCADMM CC[C@@H]1CN(C(=O)Nc2snc(C)c2-c2nnn[n-]2)C[C@@H]1O ZINC001590518827 1166931152 /nfs/dbraw/zinc/93/11/52/1166931152.db2.gz OIAJRMGMTXHGNX-SFYZADRCSA-N -1 1 323.382 0.866 20 0 DCADMM CC[C@@H]1CN(C(=O)Nc2snc(C)c2-c2nn[n-]n2)C[C@@H]1O ZINC001590518827 1166931158 /nfs/dbraw/zinc/93/11/58/1166931158.db2.gz OIAJRMGMTXHGNX-SFYZADRCSA-N -1 1 323.382 0.866 20 0 DCADMM CCCC(=O)N(CC)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590534196 1166937889 /nfs/dbraw/zinc/93/78/89/1166937889.db2.gz PXPWDOXTTOEIGO-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCCC(=O)N(CC)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590534196 1166937893 /nfs/dbraw/zinc/93/78/93/1166937893.db2.gz PXPWDOXTTOEIGO-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590536662 1166940083 /nfs/dbraw/zinc/94/00/83/1166940083.db2.gz LXOOECKWFKBPRL-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590536662 1166940086 /nfs/dbraw/zinc/94/00/86/1166940086.db2.gz LXOOECKWFKBPRL-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM CCCC[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(=O)OC ZINC001590581364 1166947204 /nfs/dbraw/zinc/94/72/04/1166947204.db2.gz GTNKPABBBRJFOD-JTQLQIEISA-N -1 1 318.337 0.723 20 0 DCADMM CCCC[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(=O)OC ZINC001590581364 1166947208 /nfs/dbraw/zinc/94/72/08/1166947208.db2.gz GTNKPABBBRJFOD-JTQLQIEISA-N -1 1 318.337 0.723 20 0 DCADMM CCC[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001590572203 1166947239 /nfs/dbraw/zinc/94/72/39/1166947239.db2.gz OLLXSTBQYKUWCB-GFCCVEGCSA-N -1 1 316.365 0.832 20 0 DCADMM CCC[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001590572203 1166947240 /nfs/dbraw/zinc/94/72/40/1166947240.db2.gz OLLXSTBQYKUWCB-GFCCVEGCSA-N -1 1 316.365 0.832 20 0 DCADMM CCCN(CCC)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590623069 1166952860 /nfs/dbraw/zinc/95/28/60/1166952860.db2.gz 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/nfs/dbraw/zinc/95/71/47/1166957147.db2.gz HOBGSHXFBKPGGA-UHFFFAOYSA-N -1 1 318.337 0.725 20 0 DCADMM CCCc1nc(C)c(CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001590660364 1166962670 /nfs/dbraw/zinc/96/26/70/1166962670.db2.gz JCNFMGWHZJHIAS-UHFFFAOYSA-N -1 1 300.326 0.940 20 0 DCADMM CCC[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C(=O)OC ZINC001590653546 1166962825 /nfs/dbraw/zinc/96/28/25/1166962825.db2.gz IDVGCDYVSVAOTR-QMMMGPOBSA-N -1 1 309.351 1.000 20 0 DCADMM CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001590670221 1166965792 /nfs/dbraw/zinc/96/57/92/1166965792.db2.gz WJBKPSLVVURDOB-VIFPVBQESA-N -1 1 306.326 0.343 20 0 DCADMM CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H]1CCOC1 ZINC001590670221 1166965801 /nfs/dbraw/zinc/96/58/01/1166965801.db2.gz WJBKPSLVVURDOB-VIFPVBQESA-N -1 1 306.326 0.343 20 0 DCADMM CCN(C[C@H](C)OC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590681004 1166972419 /nfs/dbraw/zinc/97/24/19/1166972419.db2.gz OTLIAHUJBIEXPK-QMMMGPOBSA-N -1 1 308.346 0.489 20 0 DCADMM CCN(C[C@H](C)OC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590681004 1166972421 /nfs/dbraw/zinc/97/24/21/1166972421.db2.gz OTLIAHUJBIEXPK-QMMMGPOBSA-N -1 1 308.346 0.489 20 0 DCADMM CCN(Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)C1CC1 ZINC001590722922 1166984512 /nfs/dbraw/zinc/98/45/12/1166984512.db2.gz UKIZBVULDKGFBS-UHFFFAOYSA-N -1 1 300.366 0.959 20 0 DCADMM CCN1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CC1=O ZINC001590734861 1166992657 /nfs/dbraw/zinc/99/26/57/1166992657.db2.gz KTERTKYSEPUTDW-UHFFFAOYSA-N -1 1 306.351 0.233 20 0 DCADMM CCNC(=O)C(C)(C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590737805 1166996370 /nfs/dbraw/zinc/99/63/70/1166996370.db2.gz DPMFEYZSJKPVIO-UHFFFAOYSA-N -1 1 306.326 0.413 20 0 DCADMM CCNC(=O)C(C)(C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590737805 1166996377 /nfs/dbraw/zinc/99/63/77/1166996377.db2.gz DPMFEYZSJKPVIO-UHFFFAOYSA-N -1 1 306.326 0.413 20 0 DCADMM CCOC(=O)[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001590758750 1167009288 /nfs/dbraw/zinc/00/92/88/1167009288.db2.gz ZGZAVFXRVAUQHJ-JTQLQIEISA-N -1 1 317.353 0.745 20 0 DCADMM CCOC(=O)[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001590758750 1167009294 /nfs/dbraw/zinc/00/92/94/1167009294.db2.gz ZGZAVFXRVAUQHJ-JTQLQIEISA-N -1 1 317.353 0.745 20 0 DCADMM CCOC(=O)NCCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590766938 1167013152 /nfs/dbraw/zinc/01/31/52/1167013152.db2.gz CGRPHTPRRBHIJH-UHFFFAOYSA-N -1 1 320.309 0.441 20 0 DCADMM CCOC(=O)NCCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590766938 1167013157 /nfs/dbraw/zinc/01/31/57/1167013157.db2.gz CGRPHTPRRBHIJH-UHFFFAOYSA-N -1 1 320.309 0.441 20 0 DCADMM CCOC(=O)c1cnn(C[C@@H]2C[C@@]23CCOC3)c1-c1nn[n-]n1 ZINC001590776079 1167015024 /nfs/dbraw/zinc/01/50/24/1167015024.db2.gz DWTQDUHLXZESBE-LKFCYVNXSA-N -1 1 318.337 0.667 20 0 DCADMM CCSCCCNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590852991 1167037899 /nfs/dbraw/zinc/03/78/99/1167037899.db2.gz DJIXDVHBVBJSCI-QMMMGPOBSA-N -1 1 310.387 0.279 20 0 DCADMM CC[C@@H]1OCC[C@H]1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001590861342 1167041601 /nfs/dbraw/zinc/04/16/01/1167041601.db2.gz BNGAMVSKMJSNBH-BDAKNGLRSA-N -1 1 305.342 0.662 20 0 DCADMM CC[C@@H]1OCC[C@H]1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001590861342 1167041605 /nfs/dbraw/zinc/04/16/05/1167041605.db2.gz BNGAMVSKMJSNBH-BDAKNGLRSA-N -1 1 305.342 0.662 20 0 DCADMM CCc1nnc(CNC(=O)c2cc(-c3nn[n-]n3)oc2C)[nH]1 ZINC001590913273 1167049360 /nfs/dbraw/zinc/04/93/60/1167049360.db2.gz INYXJXYKCSBGAL-UHFFFAOYSA-N -1 1 302.298 0.379 20 0 DCADMM CCc1nc(N[C@@H]2C[C@H](C)n3ncnc32)cc(-c2nnn[n-]2)n1 ZINC001590917767 1167050757 /nfs/dbraw/zinc/05/07/57/1167050757.db2.gz YBKWTEAHVVNXOW-IONNQARKSA-N -1 1 312.341 0.929 20 0 DCADMM CCc1nc(N[C@@H]2C[C@H](C)n3ncnc32)cc(-c2nn[n-]n2)n1 ZINC001590917767 1167050761 /nfs/dbraw/zinc/05/07/61/1167050761.db2.gz YBKWTEAHVVNXOW-IONNQARKSA-N -1 1 312.341 0.929 20 0 DCADMM CCc1nc(NC[C@@H]2COC(C)(C)O2)cc(-c2nnn[n-]2)n1 ZINC001590919470 1167051862 /nfs/dbraw/zinc/05/18/62/1167051862.db2.gz QSBYJLLYXGDGBN-MRVPVSSYSA-N -1 1 305.342 0.783 20 0 DCADMM CCc1nc(NC[C@@H]2COC(C)(C)O2)cc(-c2nn[n-]n2)n1 ZINC001590919470 1167051869 /nfs/dbraw/zinc/05/18/69/1167051869.db2.gz QSBYJLLYXGDGBN-MRVPVSSYSA-N -1 1 305.342 0.783 20 0 DCADMM CCc1nc(NCC2([S@@](C)=O)CCC2)cc(-c2nnn[n-]2)n1 ZINC001590917873 1167052639 /nfs/dbraw/zinc/05/26/39/1167052639.db2.gz CVQOKSTVOVDCPM-JOCHJYFZSA-N -1 1 321.410 0.932 20 0 DCADMM CCc1nc(NCC2([S@@](C)=O)CCC2)cc(-c2nn[n-]n2)n1 ZINC001590917873 1167052643 /nfs/dbraw/zinc/05/26/43/1167052643.db2.gz CVQOKSTVOVDCPM-JOCHJYFZSA-N -1 1 321.410 0.932 20 0 DCADMM CCN1C(=S)N=NC1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590947759 1167056585 /nfs/dbraw/zinc/05/65/85/1167056585.db2.gz DVQIVOUDUVFHIA-UHFFFAOYSA-N -1 1 320.338 0.290 20 0 DCADMM CCN1C(=S)N=NC1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590947759 1167056588 /nfs/dbraw/zinc/05/65/88/1167056588.db2.gz DVQIVOUDUVFHIA-UHFFFAOYSA-N -1 1 320.338 0.290 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n([C@H]2CCC(C)(C)C2=O)c1=O ZINC001590950161 1167057578 /nfs/dbraw/zinc/05/75/78/1167057578.db2.gz 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1167186371 /nfs/dbraw/zinc/18/63/71/1167186371.db2.gz MSNIRQHLBQAGLI-JTQLQIEISA-N -1 1 304.310 0.030 20 0 DCADMM COC(=O)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001591278233 1167195368 /nfs/dbraw/zinc/19/53/68/1167195368.db2.gz YOFJBOSQAYKDKB-DTWKUNHWSA-N -1 1 303.326 0.292 20 0 DCADMM COC(=O)[C@@H](NCc1cccc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001591277753 1167195495 /nfs/dbraw/zinc/19/54/95/1167195495.db2.gz WAWYSELAHDKPPX-LLVKDONJSA-N -1 1 304.354 0.939 20 0 DCADMM COC(=O)[C@@H](NCc1cccc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001591277753 1167195500 /nfs/dbraw/zinc/19/55/00/1167195500.db2.gz WAWYSELAHDKPPX-LLVKDONJSA-N -1 1 304.354 0.939 20 0 DCADMM COC(=O)c1cc(Cn2cc(-c3nn[n-]n3)nn2)c(C)s1 ZINC001591289157 1167200577 /nfs/dbraw/zinc/20/05/77/1167200577.db2.gz RUZVDQXMNVFJDE-UHFFFAOYSA-N -1 1 305.323 0.663 20 0 DCADMM COC(=O)c1ccc(N[C@H](C)C[C@@H](C)O)c(-c2nnn[n-]2)n1 ZINC001591295225 1167202494 /nfs/dbraw/zinc/20/24/94/1167202494.db2.gz CKZSQMKKCNTUKO-HTQZYQBOSA-N -1 1 306.326 0.620 20 0 DCADMM COC(=O)c1ccc(N[C@H](C)C[C@@H](C)O)c(-c2nn[n-]n2)n1 ZINC001591295225 1167202499 /nfs/dbraw/zinc/20/24/99/1167202499.db2.gz CKZSQMKKCNTUKO-HTQZYQBOSA-N -1 1 306.326 0.620 20 0 DCADMM COC(=O)c1ccc(N[C@H]2CO[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001591296389 1167202709 /nfs/dbraw/zinc/20/27/09/1167202709.db2.gz VEGHJNNBKYYNLF-HTQZYQBOSA-N -1 1 304.310 0.638 20 0 DCADMM COC(=O)c1ccc(N[C@H]2CO[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001591296389 1167202713 /nfs/dbraw/zinc/20/27/13/1167202713.db2.gz VEGHJNNBKYYNLF-HTQZYQBOSA-N -1 1 304.310 0.638 20 0 DCADMM COC(=O)c1ccc(NCC2(O)CCC2)c(-c2nnn[n-]2)n1 ZINC001591295486 1167203365 /nfs/dbraw/zinc/20/33/65/1167203365.db2.gz IFZAPAKMKXEVOY-UHFFFAOYSA-N -1 1 304.310 0.375 20 0 DCADMM COC(=O)c1ccc(NCC2(O)CCC2)c(-c2nn[n-]n2)n1 ZINC001591295486 1167203369 /nfs/dbraw/zinc/20/33/69/1167203369.db2.gz IFZAPAKMKXEVOY-UHFFFAOYSA-N -1 1 304.310 0.375 20 0 DCADMM COC(=O)c1ccc(CNCc2nc(-c3nnn[n-]3)cs2)o1 ZINC001591291989 1167203551 /nfs/dbraw/zinc/20/35/51/1167203551.db2.gz 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/nfs/dbraw/zinc/21/58/19/1167215819.db2.gz TVPFQOIKOGYTGC-SECBINFHSA-N -1 1 300.322 0.920 20 0 DCADMM CO[C@@H](COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)CC(C)C ZINC001591336132 1167220370 /nfs/dbraw/zinc/22/03/70/1167220370.db2.gz UJJUQPFCEINELC-VHSXEESVSA-N -1 1 323.357 0.624 20 0 DCADMM COCC(COC)OC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591376884 1167246780 /nfs/dbraw/zinc/24/67/80/1167246780.db2.gz AZBDTFKIEGJFDK-UHFFFAOYSA-N -1 1 310.285 0.824 20 0 DCADMM COCC(COC)OC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591376884 1167246787 /nfs/dbraw/zinc/24/67/87/1167246787.db2.gz AZBDTFKIEGJFDK-UHFFFAOYSA-N -1 1 310.285 0.824 20 0 DCADMM COC[C@H](O)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591380773 1167248957 /nfs/dbraw/zinc/24/89/57/1167248957.db2.gz MFGVNCNDVYKLSO-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM COC[C@H](O)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591380773 1167248960 /nfs/dbraw/zinc/24/89/60/1167248960.db2.gz MFGVNCNDVYKLSO-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM COCCCOC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001591416968 1167276576 /nfs/dbraw/zinc/27/65/76/1167276576.db2.gz VSYDKMXKEUNFJN-UHFFFAOYSA-N -1 1 319.369 0.679 20 0 DCADMM COCCCOC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001591416968 1167276580 /nfs/dbraw/zinc/27/65/80/1167276580.db2.gz VSYDKMXKEUNFJN-UHFFFAOYSA-N -1 1 319.369 0.679 20 0 DCADMM CO[C@@H]1COC[C@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591472392 1167304303 /nfs/dbraw/zinc/30/43/03/1167304303.db2.gz SAJWZJJUOLJQMX-RFZPGFLSSA-N -1 1 302.747 0.802 20 0 DCADMM CO[C@@H]1COC[C@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591472392 1167304309 /nfs/dbraw/zinc/30/43/09/1167304309.db2.gz SAJWZJJUOLJQMX-RFZPGFLSSA-N -1 1 302.747 0.802 20 0 DCADMM COc1ncccc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591669072 1167345162 /nfs/dbraw/zinc/34/51/62/1167345162.db2.gz MZELSOFLBMJUQX-UHFFFAOYSA-N -1 1 300.278 0.793 20 0 DCADMM COc1ncccc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591669072 1167345169 /nfs/dbraw/zinc/34/51/69/1167345169.db2.gz MZELSOFLBMJUQX-UHFFFAOYSA-N -1 1 300.278 0.793 20 0 DCADMM COc1ncc(NC(=O)N2CCOC[C@H]2C)cc1-c1nn[n-]n1 ZINC001591666694 1167346969 /nfs/dbraw/zinc/34/69/69/1167346969.db2.gz VRIMLWPAMCRYCJ-MRVPVSSYSA-N -1 1 319.325 0.523 20 0 DCADMM CS(=O)(=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001591673331 1167349055 /nfs/dbraw/zinc/34/90/55/1167349055.db2.gz IVEUSTGTGHDMIK-VIFPVBQESA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001591673331 1167349060 /nfs/dbraw/zinc/34/90/60/1167349060.db2.gz IVEUSTGTGHDMIK-VIFPVBQESA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)c1ccc(Cn2cc(-c3nn[n-]n3)ccc2=O)o1 ZINC001591680829 1167350442 /nfs/dbraw/zinc/35/04/42/1167350442.db2.gz ILGSQHVIKBMMLK-UHFFFAOYSA-N -1 1 321.318 0.073 20 0 DCADMM CS[C@@H](CO)[C@@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591690363 1167353469 /nfs/dbraw/zinc/35/34/69/1167353469.db2.gz OOYXMSKQUXCUQE-XCBNKYQSSA-N -1 1 323.382 0.496 20 0 DCADMM CS[C@@H](CO)[C@@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591690363 1167353473 /nfs/dbraw/zinc/35/34/73/1167353473.db2.gz OOYXMSKQUXCUQE-XCBNKYQSSA-N -1 1 323.382 0.496 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H](C)C1=O ZINC001591739089 1167364650 /nfs/dbraw/zinc/36/46/50/1167364650.db2.gz PCWARQXEUKQQSU-HTQZYQBOSA-N -1 1 318.341 0.289 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H](C)C1=O ZINC001591739089 1167364654 /nfs/dbraw/zinc/36/46/54/1167364654.db2.gz PCWARQXEUKQQSU-HTQZYQBOSA-N -1 1 318.341 0.289 20 0 DCADMM C[C@@H](O)CNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001591731811 1167364949 /nfs/dbraw/zinc/36/49/49/1167364949.db2.gz UXMLFJMLPRTDOJ-RXMQYKEDSA-N -1 1 316.243 0.391 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)Cc2cscn2)nn1C ZINC001591796099 1167381652 /nfs/dbraw/zinc/38/16/52/1167381652.db2.gz FHXHZZQTTKLGBR-UHFFFAOYSA-N -1 1 304.339 0.546 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)Cc2cscn2)nn1C ZINC001591796099 1167381657 /nfs/dbraw/zinc/38/16/57/1167381657.db2.gz FHXHZZQTTKLGBR-UHFFFAOYSA-N -1 1 304.339 0.546 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NOCC1CCC1 ZINC001591835627 1167390237 /nfs/dbraw/zinc/39/02/37/1167390237.db2.gz NLXDWKDBWMVGBW-UHFFFAOYSA-N -1 1 304.310 0.737 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)CCCCO ZINC001591834876 1167391651 /nfs/dbraw/zinc/39/16/51/1167391651.db2.gz UROURYRZVZYWIK-SECBINFHSA-N -1 1 320.353 0.557 20 0 DCADMM Cc1nnc(CN(C)c2nc(C)cc(-c3nnn[n-]3)n2)s1 ZINC001591884254 1167409700 /nfs/dbraw/zinc/40/97/00/1167409700.db2.gz FKIYUQKUTVFRNX-UHFFFAOYSA-N -1 1 303.355 0.761 20 0 DCADMM Cc1nnc(CN(C)c2nc(C)cc(-c3nn[n-]n3)n2)s1 ZINC001591884254 1167409701 /nfs/dbraw/zinc/40/97/01/1167409701.db2.gz FKIYUQKUTVFRNX-UHFFFAOYSA-N -1 1 303.355 0.761 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC3(C2)OCCO3)c1 ZINC001591887511 1167411569 /nfs/dbraw/zinc/41/15/69/1167411569.db2.gz DIWAIKROGNHVCH-UHFFFAOYSA-N -1 1 302.338 0.913 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC3(C2)OCCO3)c1 ZINC001591887511 1167411571 /nfs/dbraw/zinc/41/15/71/1167411571.db2.gz DIWAIKROGNHVCH-UHFFFAOYSA-N -1 1 302.338 0.913 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC/C=C\CNC(=O)C2CC2)n1 ZINC001591896934 1167413441 /nfs/dbraw/zinc/41/34/41/1167413441.db2.gz SLEUOTMGAFOZTE-IHWYPQMZSA-N -1 1 314.353 0.459 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC/C=C\CNC(=O)C2CC2)n1 ZINC001591896934 1167413459 /nfs/dbraw/zinc/41/34/59/1167413459.db2.gz SLEUOTMGAFOZTE-IHWYPQMZSA-N -1 1 314.353 0.459 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CNC(=O)C(C)C)n1 ZINC001591892035 1167414422 /nfs/dbraw/zinc/41/44/22/1167414422.db2.gz PKHXLVTZEYGDJO-VIFPVBQESA-N -1 1 304.358 0.538 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CNC(=O)C(C)C)n1 ZINC001591892035 1167414425 /nfs/dbraw/zinc/41/44/25/1167414425.db2.gz PKHXLVTZEYGDJO-VIFPVBQESA-N -1 1 304.358 0.538 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)CCC2CC2)n1 ZINC001591900381 1167415813 /nfs/dbraw/zinc/41/58/13/1167415813.db2.gz WGYYPDWTCXGWIA-UHFFFAOYSA-N -1 1 316.369 0.683 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)CCC2CC2)n1 ZINC001591900381 1167415817 /nfs/dbraw/zinc/41/58/17/1167415817.db2.gz WGYYPDWTCXGWIA-UHFFFAOYSA-N -1 1 316.369 0.683 20 0 DCADMM Cc1cc(C)n(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001591956252 1167425129 /nfs/dbraw/zinc/42/51/29/1167425129.db2.gz OCMDXHJWJRQVJK-UHFFFAOYSA-N -1 1 301.314 0.432 20 0 DCADMM Cc1cc(C)n(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001591956252 1167425131 /nfs/dbraw/zinc/42/51/31/1167425131.db2.gz OCMDXHJWJRQVJK-UHFFFAOYSA-N -1 1 301.314 0.432 20 0 DCADMM Cc1cc(C)nc(C2CN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001591956893 1167425345 /nfs/dbraw/zinc/42/53/45/1167425345.db2.gz QAUXPFSJRCTYHA-UHFFFAOYSA-N -1 1 309.337 0.667 20 0 DCADMM Cc1cc(C)nc(C2CN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001591956893 1167425349 /nfs/dbraw/zinc/42/53/49/1167425349.db2.gz QAUXPFSJRCTYHA-UHFFFAOYSA-N -1 1 309.337 0.667 20 0 DCADMM Cc1cc(N2CC[C@H]3NC(=O)CC[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592004664 1167433145 /nfs/dbraw/zinc/43/31/45/1167433145.db2.gz PBMGWPHMNACMPL-CMPLNLGQSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1cc(N2CC[C@H]3NC(=O)CC[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592004664 1167433147 /nfs/dbraw/zinc/43/31/47/1167433147.db2.gz PBMGWPHMNACMPL-CMPLNLGQSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCCC(=O)N1CCOCC1 ZINC001592114644 1167459434 /nfs/dbraw/zinc/45/94/34/1167459434.db2.gz RVVACJKCYKWUKZ-UHFFFAOYSA-N -1 1 317.353 0.231 20 0 DCADMM Cc1ccc(N2CCC3(CC2)COCCO3)c(-c2nnn[n-]2)n1 ZINC001592177984 1167469947 /nfs/dbraw/zinc/46/99/47/1167469947.db2.gz QUFMRZYYTRLVBA-UHFFFAOYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(N2CCC3(CC2)COCCO3)c(-c2nn[n-]n2)n1 ZINC001592177984 1167469951 /nfs/dbraw/zinc/46/99/51/1167469951.db2.gz QUFMRZYYTRLVBA-UHFFFAOYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(NC[C@@]2(OCCO)CCOC2)nc1-c1nnn[n-]1 ZINC001592183097 1167470127 /nfs/dbraw/zinc/47/01/27/1167470127.db2.gz MAQWLDIFBYCDTN-AWEZNQCLSA-N -1 1 320.353 0.150 20 0 DCADMM Cc1ccc(NC[C@@]2(OCCO)CCOC2)nc1-c1nn[n-]n1 ZINC001592183097 1167470131 /nfs/dbraw/zinc/47/01/31/1167470131.db2.gz MAQWLDIFBYCDTN-AWEZNQCLSA-N -1 1 320.353 0.150 20 0 DCADMM Cc1ccc(NC(=O)C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001592176708 1167470189 /nfs/dbraw/zinc/47/01/89/1167470189.db2.gz DXAWLAVIEIOPKJ-UHFFFAOYSA-N -1 1 312.293 0.233 20 0 DCADMM Cc1ccc2c(c1)N(C(=O)[C@H](C)n1cnc(-c3nn[n-]n3)n1)CC2 ZINC001592205113 1167475715 /nfs/dbraw/zinc/47/57/15/1167475715.db2.gz JQWSBBAPVJOMOD-JTQLQIEISA-N -1 1 324.348 0.917 20 0 DCADMM Cc1cccc2nc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)cn21 ZINC001592247631 1167477615 /nfs/dbraw/zinc/47/76/15/1167477615.db2.gz UFTCTGQSIJWFGN-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1cccc2nc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)cn21 ZINC001592247631 1167477617 /nfs/dbraw/zinc/47/76/17/1167477617.db2.gz UFTCTGQSIJWFGN-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1ccccc1COCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592258147 1167478644 /nfs/dbraw/zinc/47/86/44/1167478644.db2.gz YTNCEZFTBLWCCG-UHFFFAOYSA-N -1 1 313.321 0.811 20 0 DCADMM Cc1cnc(C(=O)NOc2cccc(-c3nn[nH]n3)c2)c([O-])c1 ZINC001592291324 1167484584 /nfs/dbraw/zinc/48/45/84/1167484584.db2.gz HWNFMAMUIDZESE-UHFFFAOYSA-N -1 1 312.289 1.000 20 0 DCADMM Cc1n[nH]c(C)c1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001592325668 1167489864 /nfs/dbraw/zinc/48/98/64/1167489864.db2.gz VENMIJHPNBJDRX-UHFFFAOYSA-N -1 1 316.325 0.362 20 0 DCADMM Cc1n[nH]c(C)c1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001592325668 1167489866 /nfs/dbraw/zinc/48/98/66/1167489866.db2.gz VENMIJHPNBJDRX-UHFFFAOYSA-N -1 1 316.325 0.362 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccn(C(F)F)n2)c1-c1nn[n-]n1 ZINC001592332570 1167490993 /nfs/dbraw/zinc/49/09/93/1167490993.db2.gz KBIFTHIBGXYRAZ-UHFFFAOYSA-N -1 1 309.240 0.742 20 0 DCADMM Cc1nc(N[C@H](C)C(=O)NC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592377083 1167509767 /nfs/dbraw/zinc/50/97/67/1167509767.db2.gz MQKOUHGPVDKCOF-SSDOTTSWSA-N -1 1 304.358 0.680 20 0 DCADMM Cc1nc(N[C@H](C)C(=O)NC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592377083 1167509773 /nfs/dbraw/zinc/50/97/73/1167509773.db2.gz MQKOUHGPVDKCOF-SSDOTTSWSA-N -1 1 304.358 0.680 20 0 DCADMM Cc1nc(NCc2ncnn2C(C)C)cc(-c2nnn[n-]2)n1 ZINC001592394763 1167512141 /nfs/dbraw/zinc/51/21/41/1167512141.db2.gz XPQKUBKMENLBDV-UHFFFAOYSA-N -1 1 300.330 0.750 20 0 DCADMM Cc1nc(NCc2ncnn2C(C)C)cc(-c2nn[n-]n2)n1 ZINC001592394763 1167512147 /nfs/dbraw/zinc/51/21/47/1167512147.db2.gz XPQKUBKMENLBDV-UHFFFAOYSA-N -1 1 300.330 0.750 20 0 DCADMM Cc1nn(C)c(C)c1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592428879 1167519370 /nfs/dbraw/zinc/51/93/70/1167519370.db2.gz VKZMLYKBXJXYPB-UHFFFAOYSA-N -1 1 301.310 0.740 20 0 DCADMM Cc1nn(C)c(C)c1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592428879 1167519371 /nfs/dbraw/zinc/51/93/71/1167519371.db2.gz VKZMLYKBXJXYPB-UHFFFAOYSA-N -1 1 301.310 0.740 20 0 DCADMM Cc1nn(C)c2ncc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)cc12 ZINC001592432292 1167519673 /nfs/dbraw/zinc/51/96/73/1167519673.db2.gz XZJILAUCTLOXRG-UHFFFAOYSA-N -1 1 324.308 0.432 20 0 DCADMM Cc1nn(C)c2ncc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)cc12 ZINC001592432292 1167519680 /nfs/dbraw/zinc/51/96/80/1167519680.db2.gz XZJILAUCTLOXRG-UHFFFAOYSA-N -1 1 324.308 0.432 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H](C)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC001592443315 1167526174 /nfs/dbraw/zinc/52/61/74/1167526174.db2.gz XYCFPTZMKATCPZ-ZETCQYMHSA-N -1 1 315.341 0.384 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H](C)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC001592443315 1167526178 /nfs/dbraw/zinc/52/61/78/1167526178.db2.gz XYCFPTZMKATCPZ-ZETCQYMHSA-N -1 1 315.341 0.384 20 0 DCADMM Cc1nnc2c(NCc3ccnc(-c4nnn[n-]4)c3)nccn12 ZINC001592450399 1167528271 /nfs/dbraw/zinc/52/82/71/1167528271.db2.gz MLZXWLBDBFGWNC-UHFFFAOYSA-N -1 1 308.309 0.620 20 0 DCADMM Cc1nnc2c(NCc3ccnc(-c4nn[n-]n4)c3)nccn12 ZINC001592450399 1167528277 /nfs/dbraw/zinc/52/82/77/1167528277.db2.gz MLZXWLBDBFGWNC-UHFFFAOYSA-N -1 1 308.309 0.620 20 0 DCADMM Cc1nsc(N(C)C(=O)[C@H]2OCCO[C@H]2C)c1-c1nnn[n-]1 ZINC001592468036 1167532630 /nfs/dbraw/zinc/53/26/30/1167532630.db2.gz XWKNKCGAOQPWEE-CBAPKCEASA-N -1 1 324.366 0.398 20 0 DCADMM Cc1nsc(N(C)C(=O)[C@H]2OCCO[C@H]2C)c1-c1nn[n-]n1 ZINC001592468036 1167532636 /nfs/dbraw/zinc/53/26/36/1167532636.db2.gz XWKNKCGAOQPWEE-CBAPKCEASA-N -1 1 324.366 0.398 20 0 DCADMM Cc1nsc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)c1-c1nn[n-]n1 ZINC001592476392 1167534080 /nfs/dbraw/zinc/53/40/80/1167534080.db2.gz GJOBEZKXUKCORF-SFYZADRCSA-N -1 1 321.366 0.566 20 0 DCADMM Cc1nsc(NC(=O)N2C[C@@H](O)C(C)(C)C2)c1-c1nnn[n-]1 ZINC001592479636 1167534730 /nfs/dbraw/zinc/53/47/30/1167534730.db2.gz ODLCSGOWJZJMHR-SSDOTTSWSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2C[C@@H](O)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001592479636 1167534736 /nfs/dbraw/zinc/53/47/36/1167534736.db2.gz ODLCSGOWJZJMHR-SSDOTTSWSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(N2CC[C@@H](n3cncn3)C2)c1-c1nn[n-]n1 ZINC001592473807 1167535781 /nfs/dbraw/zinc/53/57/81/1167535781.db2.gz BQUGWSZUYGPNAJ-MRVPVSSYSA-N -1 1 303.355 0.675 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NCC(C)C ZINC001592502466 1167540861 /nfs/dbraw/zinc/54/08/61/1167540861.db2.gz SSHRXTSAIWGIJS-UHFFFAOYSA-N -1 1 307.310 0.697 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NCC(C)C ZINC001592502466 1167540863 /nfs/dbraw/zinc/54/08/63/1167540863.db2.gz SSHRXTSAIWGIJS-UHFFFAOYSA-N -1 1 307.310 0.697 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCS[C@@H]2C)c1-c1nnn[n-]1 ZINC001592517759 1167546655 /nfs/dbraw/zinc/54/66/55/1167546655.db2.gz OZJQVPZWGZTGDA-SFYZADRCSA-N -1 1 308.367 0.716 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCS[C@@H]2C)c1-c1nn[n-]n1 ZINC001592517759 1167546656 /nfs/dbraw/zinc/54/66/56/1167546656.db2.gz OZJQVPZWGZTGDA-SFYZADRCSA-N -1 1 308.367 0.716 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CO[C@@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC001592517261 1167548477 /nfs/dbraw/zinc/54/84/77/1167548477.db2.gz GHZIEJZTOASBIP-MWLCHTKSSA-N -1 1 318.337 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CO[C@@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001592517261 1167548482 /nfs/dbraw/zinc/54/84/82/1167548482.db2.gz GHZIEJZTOASBIP-MWLCHTKSSA-N -1 1 318.337 0.389 20 0 DCADMM Cn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CCCC1(C)C ZINC001592542983 1167550001 /nfs/dbraw/zinc/55/00/01/1167550001.db2.gz MZYSTUGKILUVKN-UHFFFAOYSA-N -1 1 314.357 0.764 20 0 DCADMM Cn1c(=O)[nH]c(N2CCC[C@H]3CCC[C@H]32)c(-c2nn[n-]n2)c1=O ZINC001592542917 1167550073 /nfs/dbraw/zinc/55/00/73/1167550073.db2.gz CNVFWNBOFSQWKF-RKDXNWHRSA-N -1 1 317.353 0.023 20 0 DCADMM Cn1c(=O)[nH]c(NCC[C@@H]2CCSC2)c(-c2nn[n-]n2)c1=O ZINC001592545500 1167551167 /nfs/dbraw/zinc/55/11/67/1167551167.db2.gz BIRVHMLMCGYJIW-SSDOTTSWSA-N -1 1 323.382 0.221 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ncc3ccccn32)n1 ZINC001592560238 1167561841 /nfs/dbraw/zinc/56/18/41/1167561841.db2.gz VCLYUTAEZLRKEW-UHFFFAOYSA-N -1 1 309.293 0.500 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ncc3ccccn32)n1 ZINC001592560238 1167561847 /nfs/dbraw/zinc/56/18/47/1167561847.db2.gz VCLYUTAEZLRKEW-UHFFFAOYSA-N -1 1 309.293 0.500 20 0 DCADMM Cn1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001592576334 1167568687 /nfs/dbraw/zinc/56/86/87/1167568687.db2.gz RRPQYXZOKDGHHZ-UHFFFAOYSA-N -1 1 305.327 0.378 20 0 DCADMM Cn1[nH]c([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)nc1=N ZINC001592596671 1167576086 /nfs/dbraw/zinc/57/60/86/1167576086.db2.gz YIIZROWPNJEQBM-SECBINFHSA-N -1 1 312.341 0.144 20 0 DCADMM Cn1[nH]c([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)nc1=N ZINC001592596671 1167576092 /nfs/dbraw/zinc/57/60/92/1167576092.db2.gz YIIZROWPNJEQBM-SECBINFHSA-N -1 1 312.341 0.144 20 0 DCADMM Cn1[nH]c([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)nc1=N ZINC001592595790 1167576442 /nfs/dbraw/zinc/57/64/42/1167576442.db2.gz GJGNEXZVKHWQGL-VIFPVBQESA-N -1 1 315.341 0.338 20 0 DCADMM Cn1[nH]c([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)o2)nc1=N ZINC001592595790 1167576446 /nfs/dbraw/zinc/57/64/46/1167576446.db2.gz GJGNEXZVKHWQGL-VIFPVBQESA-N -1 1 315.341 0.338 20 0 DCADMM Cn1nccc1[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001592606105 1167582215 /nfs/dbraw/zinc/58/22/15/1167582215.db2.gz XZQKAHFHHMBNEZ-LBPRGKRZSA-N -1 1 312.337 0.573 20 0 DCADMM Cn1nccc1[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001592606105 1167582221 /nfs/dbraw/zinc/58/22/21/1167582221.db2.gz XZQKAHFHHMBNEZ-LBPRGKRZSA-N -1 1 312.337 0.573 20 0 DCADMM NC(=O)C1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001592718668 1167611685 /nfs/dbraw/zinc/61/16/85/1167611685.db2.gz UYDOZAMABXVHQV-UHFFFAOYSA-N -1 1 306.351 0.200 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592726161 1167616117 /nfs/dbraw/zinc/61/61/17/1167616117.db2.gz VBZMGFVZABNOMF-SECBINFHSA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592726161 1167616121 /nfs/dbraw/zinc/61/61/21/1167616121.db2.gz VBZMGFVZABNOMF-SECBINFHSA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)NCCNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592731682 1167619266 /nfs/dbraw/zinc/61/92/66/1167619266.db2.gz NFXJYUMGRHBGJI-UHFFFAOYSA-N -1 1 316.247 0.361 20 0 DCADMM NC(=O)NCCNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592731682 1167619269 /nfs/dbraw/zinc/61/92/69/1167619269.db2.gz NFXJYUMGRHBGJI-UHFFFAOYSA-N -1 1 316.247 0.361 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1F ZINC001592735977 1167623133 /nfs/dbraw/zinc/62/31/33/1167623133.db2.gz QSRRFCQATRIFOK-UHFFFAOYSA-N -1 1 316.252 0.950 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1F ZINC001592735977 1167623138 /nfs/dbraw/zinc/62/31/38/1167623138.db2.gz QSRRFCQATRIFOK-UHFFFAOYSA-N -1 1 316.252 0.950 20 0 DCADMM Nc1nccc([C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001592762923 1167637832 /nfs/dbraw/zinc/63/78/32/1167637832.db2.gz RHMPAGJZZLQLNL-SECBINFHSA-N -1 1 324.352 0.413 20 0 DCADMM Nc1nccc([C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001592762923 1167637834 /nfs/dbraw/zinc/63/78/34/1167637834.db2.gz RHMPAGJZZLQLNL-SECBINFHSA-N -1 1 324.352 0.413 20 0 DCADMM Nc1sc2c(c1-c1nn[nH]n1)CC[N@@H+](CC1OCCO1)C2 ZINC001592763861 1167638056 /nfs/dbraw/zinc/63/80/56/1167638056.db2.gz DCWGZGFFRGDBID-UHFFFAOYSA-N -1 1 308.367 0.241 20 0 DCADMM O=C(C1CC1)N1CCCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001592774608 1167642548 /nfs/dbraw/zinc/64/25/48/1167642548.db2.gz PLJSQDWBVOGDOE-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C1CC1)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001592774136 1167642640 /nfs/dbraw/zinc/64/26/40/1167642640.db2.gz XIJMOEDVPNFRNX-VIFPVBQESA-N -1 1 314.353 0.327 20 0 DCADMM O=C(C1CC1)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001592774136 1167642645 /nfs/dbraw/zinc/64/26/45/1167642645.db2.gz XIJMOEDVPNFRNX-VIFPVBQESA-N -1 1 314.353 0.327 20 0 DCADMM O=C(C=Cc1ccncn1)OCc1cccnc1-c1nnn[n-]1 ZINC001592802408 1167644286 /nfs/dbraw/zinc/64/42/86/1167644286.db2.gz SGDRYEKVKYYQGI-ONEGZZNKSA-N -1 1 309.289 0.808 20 0 DCADMM O=C(C=Cc1ccncn1)OCc1cccnc1-c1nn[n-]n1 ZINC001592802408 1167644289 /nfs/dbraw/zinc/64/42/89/1167644289.db2.gz SGDRYEKVKYYQGI-ONEGZZNKSA-N -1 1 309.289 0.808 20 0 DCADMM O=C(C=Cc1ccncn1)OCc1cccnc1-c1nnn[n-]1 ZINC001592802407 1167645592 /nfs/dbraw/zinc/64/55/92/1167645592.db2.gz SGDRYEKVKYYQGI-ARJAWSKDSA-N -1 1 309.289 0.808 20 0 DCADMM O=C(C=Cc1ccncn1)OCc1cccnc1-c1nn[n-]n1 ZINC001592802407 1167645595 /nfs/dbraw/zinc/64/55/95/1167645595.db2.gz SGDRYEKVKYYQGI-ARJAWSKDSA-N -1 1 309.289 0.808 20 0 DCADMM O=C(CCC1CC1)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001592828935 1167647181 /nfs/dbraw/zinc/64/71/81/1167647181.db2.gz OHLHPAWMSJJVIP-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CCC1CC1)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001592828935 1167647183 /nfs/dbraw/zinc/64/71/83/1167647183.db2.gz OHLHPAWMSJJVIP-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CC1CCOCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592824278 1167647643 /nfs/dbraw/zinc/64/76/43/1167647643.db2.gz KTVLDCDPGJKISX-UHFFFAOYSA-N -1 1 302.338 0.695 20 0 DCADMM O=C(CC1CCOCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592824278 1167647647 /nfs/dbraw/zinc/64/76/47/1167647647.db2.gz KTVLDCDPGJKISX-UHFFFAOYSA-N -1 1 302.338 0.695 20 0 DCADMM O=C(CCOC[C@@H]1CCCO1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592847437 1167649806 /nfs/dbraw/zinc/64/98/06/1167649806.db2.gz BFRFBIGNOCFXNF-QMMMGPOBSA-N -1 1 307.314 0.114 20 0 DCADMM O=C(CCn1ccnn1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592861488 1167652424 /nfs/dbraw/zinc/65/24/24/1167652424.db2.gz YFNKPDVFBGXBKN-UHFFFAOYSA-N -1 1 314.313 0.088 20 0 DCADMM O=C(COC[C@@H]1CCCO1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592887507 1167657707 /nfs/dbraw/zinc/65/77/07/1167657707.db2.gz OCTKXAVMQNJPDT-QMMMGPOBSA-N -1 1 324.366 0.135 20 0 DCADMM O=C(COC[C@@H]1CCCO1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592887507 1167657710 /nfs/dbraw/zinc/65/77/10/1167657710.db2.gz OCTKXAVMQNJPDT-QMMMGPOBSA-N -1 1 324.366 0.135 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@H]1[C@@H]2COC[C@H]12 ZINC001592914997 1167665783 /nfs/dbraw/zinc/66/57/83/1167665783.db2.gz OTOFMNAGHCEEIN-URLYPYJESA-N -1 1 301.306 0.240 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@H]1[C@@H]2COC[C@H]12 ZINC001592914997 1167665789 /nfs/dbraw/zinc/66/57/89/1167665789.db2.gz OTOFMNAGHCEEIN-URLYPYJESA-N -1 1 301.306 0.240 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@H](O)C1CCC1 ZINC001592915729 1167666041 /nfs/dbraw/zinc/66/60/41/1167666041.db2.gz RRPTVYUWJCLSBE-LBPRGKRZSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@H](O)C1CCC1 ZINC001592915729 1167666046 /nfs/dbraw/zinc/66/60/46/1167666046.db2.gz RRPTVYUWJCLSBE-LBPRGKRZSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cn1cccn1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592938352 1167670369 /nfs/dbraw/zinc/67/03/69/1167670369.db2.gz UERQSRFTAKHYDU-UHFFFAOYSA-N -1 1 310.321 0.438 20 0 DCADMM O=C(N[C@@H](CCO)C1CCOCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592949629 1167672229 /nfs/dbraw/zinc/67/22/29/1167672229.db2.gz GYRYDAFRFJFWBG-JTQLQIEISA-N -1 1 321.337 0.367 20 0 DCADMM O=C(N[C@@H](CCO)C1CCOCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592949629 1167672231 /nfs/dbraw/zinc/67/22/31/1167672231.db2.gz GYRYDAFRFJFWBG-JTQLQIEISA-N -1 1 321.337 0.367 20 0 DCADMM O=C(N[C@@H]1CCN(CC(F)F)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592984183 1167678781 /nfs/dbraw/zinc/67/87/81/1167678781.db2.gz FYOCYXGTTXJPDN-MRVPVSSYSA-N -1 1 312.280 0.529 20 0 DCADMM O=C(N[C@@H]1CCN(CC(F)F)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592984183 1167678785 /nfs/dbraw/zinc/67/87/85/1167678785.db2.gz FYOCYXGTTXJPDN-MRVPVSSYSA-N -1 1 312.280 0.529 20 0 DCADMM O=C(N[C@@H]1CC[S@](=O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592996826 1167681279 /nfs/dbraw/zinc/68/12/79/1167681279.db2.gz SEMHQSGYDCCATP-QFWYVNQISA-N -1 1 309.326 0.257 20 0 DCADMM O=C(N[C@@H]1CC[S@](=O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592996826 1167681283 /nfs/dbraw/zinc/68/12/83/1167681283.db2.gz SEMHQSGYDCCATP-QFWYVNQISA-N -1 1 309.326 0.257 20 0 DCADMM O=C(N[C@@H]1CCc2cncn2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592996460 1167681959 /nfs/dbraw/zinc/68/19/59/1167681959.db2.gz JXOIXNKXRFHDQL-SNVBAGLBSA-N -1 1 310.321 0.203 20 0 DCADMM O=C(N[C@H]1COCCC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001593001170 1167683218 /nfs/dbraw/zinc/68/32/18/1167683218.db2.gz FKILBTGBTOERAD-VIFPVBQESA-N -1 1 305.269 0.094 20 0 DCADMM O=C(N[C@H]1COCCC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001593001170 1167683224 /nfs/dbraw/zinc/68/32/24/1167683224.db2.gz FKILBTGBTOERAD-VIFPVBQESA-N -1 1 305.269 0.094 20 0 DCADMM O=C(NC1COCCOC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593001338 1167683742 /nfs/dbraw/zinc/68/37/42/1167683742.db2.gz KLRZTWMMNSSIHZ-UHFFFAOYSA-N -1 1 324.728 0.060 20 0 DCADMM O=C(NC[C@@H](O)C1CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593012480 1167685873 /nfs/dbraw/zinc/68/58/73/1167685873.db2.gz ISHXZJUSYRHOHQ-SNVBAGLBSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@@H](O)C1CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593012480 1167685879 /nfs/dbraw/zinc/68/58/79/1167685879.db2.gz ISHXZJUSYRHOHQ-SNVBAGLBSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@@H](O)C1CCOCC1)c1ccsc1-c1nnn[n-]1 ZINC001593012474 1167686368 /nfs/dbraw/zinc/68/63/68/1167686368.db2.gz IAHLYEFBGNIGAN-SNVBAGLBSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(NC[C@@H](O)C1CCOCC1)c1ccsc1-c1nn[n-]n1 ZINC001593012474 1167686372 /nfs/dbraw/zinc/68/63/72/1167686372.db2.gz IAHLYEFBGNIGAN-SNVBAGLBSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(NCC[C@H](O)C(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001593056799 1167695828 /nfs/dbraw/zinc/69/58/28/1167695828.db2.gz NGSVWYVGBGWDMJ-LURJTMIESA-N -1 1 303.294 0.674 20 0 DCADMM O=C(NCCNc1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001593090479 1167702403 /nfs/dbraw/zinc/70/24/03/1167702403.db2.gz IUHQOANMHJZJBN-UHFFFAOYSA-N -1 1 316.350 0.560 20 0 DCADMM O=C(NCCNc1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001593090479 1167702410 /nfs/dbraw/zinc/70/24/10/1167702410.db2.gz IUHQOANMHJZJBN-UHFFFAOYSA-N -1 1 316.350 0.560 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)[C@H]1C[C@@H]1C(F)F ZINC001593091295 1167707243 /nfs/dbraw/zinc/70/72/43/1167707243.db2.gz BUZJAVVUTIDHKZ-BQBZGAKWSA-N -1 1 324.295 0.086 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)[C@H]1C[C@@H]1C(F)F ZINC001593091295 1167707249 /nfs/dbraw/zinc/70/72/49/1167707249.db2.gz BUZJAVVUTIDHKZ-BQBZGAKWSA-N -1 1 324.295 0.086 20 0 DCADMM O=C(NCCc1ncc[nH]1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593107038 1167707735 /nfs/dbraw/zinc/70/77/35/1167707735.db2.gz PWRSJMFCWGQHKH-UHFFFAOYSA-N -1 1 301.285 0.701 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CCCC2(CC2)C1 ZINC001593112396 1167711847 /nfs/dbraw/zinc/71/18/47/1167711847.db2.gz UNVNHKSPVKYELT-UHFFFAOYSA-N -1 1 317.357 0.044 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cnc2cccnn21 ZINC001593146240 1167724036 /nfs/dbraw/zinc/72/40/36/1167724036.db2.gz LINCYWFNAXIPLN-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cnc2cccnn21 ZINC001593146240 1167724043 /nfs/dbraw/zinc/72/40/43/1167724043.db2.gz LINCYWFNAXIPLN-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@H]1CC[C@H](O)C1 ZINC001593151388 1167726814 /nfs/dbraw/zinc/72/68/14/1167726814.db2.gz WWLURBXSIBCCQI-YUMQZZPRSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@H]1CC[C@H](O)C1 ZINC001593151388 1167726823 /nfs/dbraw/zinc/72/68/23/1167726823.db2.gz WWLURBXSIBCCQI-YUMQZZPRSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC1(CO)CCC1 ZINC001593150112 1167727147 /nfs/dbraw/zinc/72/71/47/1167727147.db2.gz HBRJOAJZSHRLFW-UHFFFAOYSA-N -1 1 309.355 0.037 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC1(CO)CCC1 ZINC001593150112 1167727155 /nfs/dbraw/zinc/72/71/55/1167727155.db2.gz HBRJOAJZSHRLFW-UHFFFAOYSA-N -1 1 309.355 0.037 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1onc2c1CCCC2 ZINC001593199554 1167735367 /nfs/dbraw/zinc/73/53/67/1167735367.db2.gz MIDTYSYODOEZCG-UHFFFAOYSA-N -1 1 300.282 0.709 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1onc2c1CCCC2 ZINC001593199554 1167735372 /nfs/dbraw/zinc/73/53/72/1167735372.db2.gz MIDTYSYODOEZCG-UHFFFAOYSA-N -1 1 300.282 0.709 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@]12CCO[C@H]1CCCC2 ZINC001593197279 1167736710 /nfs/dbraw/zinc/73/67/10/1167736710.db2.gz HZOPNMAVUPOLID-TVQRCGJNSA-N -1 1 303.326 0.878 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@]12CCO[C@H]1CCCC2 ZINC001593197279 1167736719 /nfs/dbraw/zinc/73/67/19/1167736719.db2.gz HZOPNMAVUPOLID-TVQRCGJNSA-N -1 1 303.326 0.878 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N[C@]12C[C@H]1CCC2 ZINC001593244259 1167743614 /nfs/dbraw/zinc/74/36/14/1167743614.db2.gz VWFFEWUYJZRJKL-XLKFXECMSA-N -1 1 313.321 0.259 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N[C@]12C[C@H]1CCC2 ZINC001593244259 1167743619 /nfs/dbraw/zinc/74/36/19/1167743619.db2.gz VWFFEWUYJZRJKL-XLKFXECMSA-N -1 1 313.321 0.259 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc(-c2cccnc2)on1 ZINC001593259587 1167747111 /nfs/dbraw/zinc/74/71/11/1167747111.db2.gz CXWYGVIQNUSMHH-UHFFFAOYSA-N -1 1 323.276 0.892 20 0 DCADMM O=C([O-])[C@@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001593276985 1167751395 /nfs/dbraw/zinc/75/13/95/1167751395.db2.gz WISHEGRRQQSVGL-WPRPVWTQSA-N -1 1 309.351 0.650 20 0 DCADMM O=C([O-])[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)[C@H]1CCCO1 ZINC001593275450 1167753120 /nfs/dbraw/zinc/75/31/20/1167753120.db2.gz DRKYQXDXGYKIAX-VXGBXAGGSA-N -1 1 321.312 0.728 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593285891 1167762289 /nfs/dbraw/zinc/76/22/89/1167762289.db2.gz ZJWRTTVAWHMZNG-SCVCMEIPSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593285891 1167762297 /nfs/dbraw/zinc/76/22/97/1167762297.db2.gz ZJWRTTVAWHMZNG-SCVCMEIPSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@]12CCOC2 ZINC001593301788 1167766058 /nfs/dbraw/zinc/76/60/58/1167766058.db2.gz FKGNXLGBDBDOBH-IINYFYTJSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@]12CCOC2 ZINC001593301788 1167766066 /nfs/dbraw/zinc/76/60/66/1167766066.db2.gz FKGNXLGBDBDOBH-IINYFYTJSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCO[C@@H]2C[C@@H]21 ZINC001593328016 1167773386 /nfs/dbraw/zinc/77/33/86/1167773386.db2.gz YYXKAEXQJZQZNX-VHSXEESVSA-N -1 1 307.260 0.758 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCO[C@@H]2C[C@@H]21 ZINC001593328016 1167773398 /nfs/dbraw/zinc/77/33/98/1167773398.db2.gz YYXKAEXQJZQZNX-VHSXEESVSA-N -1 1 307.260 0.758 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(C2(O)CC2)CC1 ZINC001593337345 1167778656 /nfs/dbraw/zinc/77/86/56/1167778656.db2.gz YKBISDCMWZGMDX-UHFFFAOYSA-N -1 1 314.349 0.639 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(C2(O)CC2)CC1 ZINC001593337345 1167778663 /nfs/dbraw/zinc/77/86/63/1167778663.db2.gz YKBISDCMWZGMDX-UHFFFAOYSA-N -1 1 314.349 0.639 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001593341730 1167781148 /nfs/dbraw/zinc/78/11/48/1167781148.db2.gz XOPGYICWIGUBCS-XXILOJSOSA-N -1 1 300.322 0.247 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001593341730 1167781155 /nfs/dbraw/zinc/78/11/55/1167781155.db2.gz XOPGYICWIGUBCS-XXILOJSOSA-N -1 1 300.322 0.247 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](C2CCC2)C1 ZINC001593340433 1167781207 /nfs/dbraw/zinc/78/12/07/1167781207.db2.gz LNPWWPYJAVITEQ-ZDUSSCGKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](C2CCC2)C1 ZINC001593340433 1167781215 /nfs/dbraw/zinc/78/12/15/1167781215.db2.gz LNPWWPYJAVITEQ-ZDUSSCGKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCO[C@H]1C(F)(F)F ZINC001593369288 1167788553 /nfs/dbraw/zinc/78/85/53/1167788553.db2.gz HHOFSDPMFZJKGA-VIFPVBQESA-N -1 1 303.200 0.821 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCO[C@H]1C(F)(F)F ZINC001593369288 1167788561 /nfs/dbraw/zinc/78/85/61/1167788561.db2.gz HHOFSDPMFZJKGA-VIFPVBQESA-N -1 1 303.200 0.821 20 0 DCADMM O=C(c1cnncc1[O-])N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC001593368673 1167788661 /nfs/dbraw/zinc/78/86/61/1167788661.db2.gz FXSWYGNZYKHAOA-UHFFFAOYSA-N -1 1 309.289 0.565 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@@H](C2OCCO2)C1 ZINC001593370479 1167790276 /nfs/dbraw/zinc/79/02/76/1167790276.db2.gz DLNVLQVGHYMVPT-MRVPVSSYSA-N -1 1 321.362 0.763 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCSC[C@@H]1CCO ZINC001593370016 1167791091 /nfs/dbraw/zinc/79/10/91/1167791091.db2.gz YEQDGIAPAXWCSU-VIFPVBQESA-N -1 1 309.351 0.400 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCSC[C@@H]1CCO ZINC001593370016 1167791100 /nfs/dbraw/zinc/79/11/00/1167791100.db2.gz YEQDGIAPAXWCSU-VIFPVBQESA-N -1 1 309.351 0.400 20 0 DCADMM O=C(c1sccc1-c1nn[nH]n1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001593377035 1167792241 /nfs/dbraw/zinc/79/22/41/1167792241.db2.gz YPZRDEWAHLUZJZ-LURJTMIESA-N -1 1 317.338 0.071 20 0 DCADMM O=C(C[C@H]1CCC(=O)NC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001593390578 1167803407 /nfs/dbraw/zinc/80/34/07/1167803407.db2.gz MOLMBPDFZGHEEO-SECBINFHSA-N -1 1 316.321 0.221 20 0 DCADMM O=C(C[C@H]1CCC(=O)NC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001593390578 1167803420 /nfs/dbraw/zinc/80/34/20/1167803420.db2.gz MOLMBPDFZGHEEO-SECBINFHSA-N -1 1 316.321 0.221 20 0 DCADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001593393966 1167804860 /nfs/dbraw/zinc/80/48/60/1167804860.db2.gz ONBUDAMHCSABMK-PDFZIDOMSA-N -1 1 305.319 0.592 20 0 DCADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001593393966 1167804866 /nfs/dbraw/zinc/80/48/66/1167804866.db2.gz ONBUDAMHCSABMK-PDFZIDOMSA-N -1 1 305.319 0.592 20 0 DCADMM O=c1[nH]cccc1-c1noc(Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001593401264 1167812836 /nfs/dbraw/zinc/81/28/36/1167812836.db2.gz KDGDBJYMUAJJAL-SECBINFHSA-N -1 1 322.288 0.486 20 0 DCADMM O=c1[nH]cccc1-c1noc(Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001593401264 1167812844 /nfs/dbraw/zinc/81/28/44/1167812844.db2.gz KDGDBJYMUAJJAL-SECBINFHSA-N -1 1 322.288 0.486 20 0 DCADMM O=S(=O)(NCc1ccnc(-c2nnn[n-]2)c1)c1ccoc1 ZINC001593443101 1167843262 /nfs/dbraw/zinc/84/32/62/1167843262.db2.gz XLULXDKEQFWUAU-UHFFFAOYSA-N -1 1 306.307 0.333 20 0 DCADMM O=S(=O)(NCc1ccnc(-c2nn[n-]n2)c1)c1ccoc1 ZINC001593443101 1167843272 /nfs/dbraw/zinc/84/32/72/1167843272.db2.gz XLULXDKEQFWUAU-UHFFFAOYSA-N -1 1 306.307 0.333 20 0 DCADMM O=S(=O)(Oc1cccnc1-c1nn[n-]n1)c1cccnc1 ZINC001593450205 1167847377 /nfs/dbraw/zinc/84/73/77/1167847377.db2.gz QDOMADDVORRWCM-UHFFFAOYSA-N -1 1 304.291 0.424 20 0 DCADMM O=S1(=O)C[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C[C@H]2C1 ZINC001593461091 1167849044 /nfs/dbraw/zinc/84/90/44/1167849044.db2.gz QWHOKAWPPSHARL-UWVGGRQHSA-N -1 1 320.378 0.133 20 0 DCADMM O=S1(=O)C[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C[C@H]2C1 ZINC001593461091 1167849055 /nfs/dbraw/zinc/84/90/55/1167849055.db2.gz QWHOKAWPPSHARL-UWVGGRQHSA-N -1 1 320.378 0.133 20 0 DCADMM O=S1(=O)CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001593464771 1167852542 /nfs/dbraw/zinc/85/25/42/1167852542.db2.gz ZZPHWDLEEMKQFJ-SCSAIBSYSA-N -1 1 320.787 0.576 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CCOCc1ccccc1 ZINC001593489376 1167870343 /nfs/dbraw/zinc/87/03/43/1167870343.db2.gz JFCICZJDSPWEBW-UHFFFAOYSA-N -1 1 314.305 0.346 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@H]1CCC2(CCOCC2)O1 ZINC001593494006 1167875663 /nfs/dbraw/zinc/87/56/63/1167875663.db2.gz NBRAZVLKRSUZPD-GFCCVEGCSA-N -1 1 317.349 0.757 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cnnn1-c1ccccc1 ZINC001593493502 1167877557 /nfs/dbraw/zinc/87/75/57/1167877557.db2.gz IYAYXIAQFBNOIF-UHFFFAOYSA-N -1 1 320.316 0.657 20 0 DCADMM O[C@@]1(C(F)(F)F)CCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001593509755 1167888859 /nfs/dbraw/zinc/88/88/59/1167888859.db2.gz RKVFPOPKAMOBLU-VIFPVBQESA-N -1 1 320.300 0.822 20 0 DCADMM O[C@@]1(C(F)(F)F)CCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001593509755 1167888863 /nfs/dbraw/zinc/88/88/63/1167888863.db2.gz RKVFPOPKAMOBLU-VIFPVBQESA-N -1 1 320.300 0.822 20 0 DCADMM O[C@@H]1C[C@H]2C[C@@H](C1)N(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001593518395 1167891804 /nfs/dbraw/zinc/89/18/04/1167891804.db2.gz YCWCMUXZQLJKCM-DVVUODLYSA-N -1 1 313.365 0.884 20 0 DCADMM O[C@@H]1C[C@H]2C[C@@H](C1)N(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001593518395 1167891809 /nfs/dbraw/zinc/89/18/09/1167891809.db2.gz YCWCMUXZQLJKCM-DVVUODLYSA-N -1 1 313.365 0.884 20 0 DCADMM OC[C@@H]([C@@H](Nc1ncncc1-c1nn[n-]n1)C1CC1)C1CC1 ZINC001593522412 1167898188 /nfs/dbraw/zinc/89/81/88/1167898188.db2.gz RFNPWOWZCOERSS-NEPJUHHUSA-N -1 1 301.354 0.866 20 0 DCADMM OC[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)c1ncc[nH]1 ZINC001593524564 1167900347 /nfs/dbraw/zinc/90/03/47/1167900347.db2.gz ABSCWZWHBDVSIN-BYPYZUCNSA-N -1 1 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DCADMM COC(=O)CN(CC(=O)[O-])C(=O)c1cc2[nH]cnc2cc1F ZINC001606468337 1170215487 /nfs/dbraw/zinc/21/54/87/1170215487.db2.gz YIKRZIQBEQZMIO-UHFFFAOYSA-N -1 1 309.253 0.402 20 0 DCADMM O=C([C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)N1CCCC1 ZINC001606475144 1170217760 /nfs/dbraw/zinc/21/77/60/1170217760.db2.gz KOPQSFKFUYILGV-JTQLQIEISA-N -1 1 314.353 0.105 20 0 DCADMM O=C([C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)N1CCCC1 ZINC001606475144 1170217764 /nfs/dbraw/zinc/21/77/64/1170217764.db2.gz KOPQSFKFUYILGV-JTQLQIEISA-N -1 1 314.353 0.105 20 0 DCADMM COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1csc(C(=O)[O-])n1 ZINC001606515461 1170226037 /nfs/dbraw/zinc/22/60/37/1170226037.db2.gz RKBMALMPFIQGDL-ZETCQYMHSA-N -1 1 324.318 0.079 20 0 DCADMM O=C(CCc1cccnc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001606531075 1170228969 /nfs/dbraw/zinc/22/89/69/1170228969.db2.gz VELJQZROWFENMW-UHFFFAOYSA-N -1 1 309.333 0.906 20 0 DCADMM O=C(CCc1cccnc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001606531075 1170228974 /nfs/dbraw/zinc/22/89/74/1170228974.db2.gz VELJQZROWFENMW-UHFFFAOYSA-N -1 1 309.333 0.906 20 0 DCADMM O=C(COCCc1ccccc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606570063 1170236625 /nfs/dbraw/zinc/23/66/25/1170236625.db2.gz WQVABOSZNZDTPI-UHFFFAOYSA-N -1 1 313.321 0.788 20 0 DCADMM O=C(COCCc1ccccc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606570063 1170236629 /nfs/dbraw/zinc/23/66/29/1170236629.db2.gz WQVABOSZNZDTPI-UHFFFAOYSA-N -1 1 313.321 0.788 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCc2ccccc21 ZINC001606620126 1170244842 /nfs/dbraw/zinc/24/48/42/1170244842.db2.gz DHZSXWZQUKBRGJ-GFCCVEGCSA-N -1 1 324.348 0.652 20 0 DCADMM O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606685254 1170260946 /nfs/dbraw/zinc/26/09/46/1170260946.db2.gz JKVSZSIUESFZGK-SECBINFHSA-N -1 1 310.321 0.272 20 0 DCADMM O=C(NC[C@H]1CC[C@H](C2CC2)O1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606721710 1170272872 /nfs/dbraw/zinc/27/28/72/1170272872.db2.gz BGFUSXPTTYYEDU-DGCLKSJQSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@H]1CC[C@H](C2CC2)O1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606721710 1170272878 /nfs/dbraw/zinc/27/28/78/1170272878.db2.gz BGFUSXPTTYYEDU-DGCLKSJQSA-N -1 1 314.349 0.949 20 0 DCADMM COC1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001606733163 1170275954 /nfs/dbraw/zinc/27/59/54/1170275954.db2.gz UNQIBWGJPLBNJY-UHFFFAOYSA-N -1 1 318.351 0.856 20 0 DCADMM O=C(NCC[C@H](O)C(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001606752824 1170279113 /nfs/dbraw/zinc/27/91/13/1170279113.db2.gz NSFBNQOPIKWKEF-QMMMGPOBSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(NCC[C@H](O)C(F)(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001606752824 1170279115 /nfs/dbraw/zinc/27/91/15/1170279115.db2.gz NSFBNQOPIKWKEF-QMMMGPOBSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCC[C@@H](F)C1 ZINC001606803299 1170295594 /nfs/dbraw/zinc/29/55/94/1170295594.db2.gz UBFDYSYGLNWUEI-BDAKNGLRSA-N -1 1 323.336 0.038 20 0 DCADMM COCC1(O)CCN(Cc2snc(OC)c2C(=O)[O-])CC1 ZINC001606842678 1170309342 /nfs/dbraw/zinc/30/93/42/1170309342.db2.gz NLSFWJOFTYNIGZ-UHFFFAOYSA-N -1 1 316.379 0.823 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ns[nH]c1=O ZINC001606897256 1170325386 /nfs/dbraw/zinc/32/53/86/1170325386.db2.gz APHXFDLDHFZWFZ-UHFFFAOYSA-N -1 1 305.279 0.382 20 0 DCADMM O=C(OC[C@H]1CCS(=O)(=O)C1)c1coc(-c2nnn[n-]2)c1 ZINC001606967582 1170342204 /nfs/dbraw/zinc/34/22/04/1170342204.db2.gz MEGHSBHDUCLHRL-SSDOTTSWSA-N -1 1 312.307 0.051 20 0 DCADMM O=C(OC[C@H]1CCS(=O)(=O)C1)c1coc(-c2nn[n-]n2)c1 ZINC001606967582 1170342213 /nfs/dbraw/zinc/34/22/13/1170342213.db2.gz MEGHSBHDUCLHRL-SSDOTTSWSA-N -1 1 312.307 0.051 20 0 DCADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)c1cnn2c1OCCC2 ZINC001606979214 1170344636 /nfs/dbraw/zinc/34/46/36/1170344636.db2.gz OMWMSPLNKJSSCD-UHFFFAOYSA-N -1 1 316.277 0.796 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)c1cnn2c1OCCC2 ZINC001606979214 1170344644 /nfs/dbraw/zinc/34/46/44/1170344644.db2.gz OMWMSPLNKJSSCD-UHFFFAOYSA-N -1 1 316.277 0.796 20 0 DCADMM O=C(O[C@@H]1CCN2C(=O)OC[C@H]12)c1coc(-c2nnn[n-]2)c1 ZINC001606987835 1170346840 /nfs/dbraw/zinc/34/68/40/1170346840.db2.gz OFTJONAZLVRCRA-HTQZYQBOSA-N -1 1 305.250 0.210 20 0 DCADMM O=C(O[C@@H]1CCN2C(=O)OC[C@H]12)c1coc(-c2nn[n-]n2)c1 ZINC001606987835 1170346845 /nfs/dbraw/zinc/34/68/45/1170346845.db2.gz OFTJONAZLVRCRA-HTQZYQBOSA-N -1 1 305.250 0.210 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H]1c1ncon1 ZINC001607017179 1170355136 /nfs/dbraw/zinc/35/51/36/1170355136.db2.gz NDRJHGONVRDDJV-SSDOTTSWSA-N -1 1 301.266 0.820 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H]1c1ncon1 ZINC001607017179 1170355141 /nfs/dbraw/zinc/35/51/41/1170355141.db2.gz NDRJHGONVRDDJV-SSDOTTSWSA-N -1 1 301.266 0.820 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H]1C1OCCO1 ZINC001607016756 1170357322 /nfs/dbraw/zinc/35/73/22/1170357322.db2.gz BVDGSDFNAJVWQP-MRVPVSSYSA-N -1 1 321.362 0.906 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1C1OCCO1 ZINC001607016756 1170357332 /nfs/dbraw/zinc/35/73/32/1170357332.db2.gz BVDGSDFNAJVWQP-MRVPVSSYSA-N -1 1 321.362 0.906 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC001607022445 1170359106 /nfs/dbraw/zinc/35/91/06/1170359106.db2.gz UTBCSJAFSWIRMU-IUODEOHRSA-N -1 1 314.349 0.639 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC001607022445 1170359109 /nfs/dbraw/zinc/35/91/09/1170359109.db2.gz UTBCSJAFSWIRMU-IUODEOHRSA-N -1 1 314.349 0.639 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001607043962 1170364545 /nfs/dbraw/zinc/36/45/45/1170364545.db2.gz MCIVNYSOMSZJQB-VDAHYXPESA-N -1 1 313.321 0.631 20 0 DCADMM O=C(CSc1cccnc1-c1nnn[n-]1)N1CCCC1=O ZINC001607043899 1170365371 /nfs/dbraw/zinc/36/53/71/1170365371.db2.gz SRLOKOQWQRWBFL-UHFFFAOYSA-N -1 1 304.335 0.503 20 0 DCADMM O=C(CSc1cccnc1-c1nn[n-]n1)N1CCCC1=O ZINC001607043899 1170365379 /nfs/dbraw/zinc/36/53/79/1170365379.db2.gz SRLOKOQWQRWBFL-UHFFFAOYSA-N -1 1 304.335 0.503 20 0 DCADMM O=C1CCCc2c1cn(C[C@H]1CCCO1)c(=O)c2-c1nn[n-]n1 ZINC001607042873 1170366176 /nfs/dbraw/zinc/36/61/76/1170366176.db2.gz ABPABHBOTQNDSF-SECBINFHSA-N -1 1 315.333 0.726 20 0 DCADMM O=C1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C(=O)N1 ZINC001607044624 1170367188 /nfs/dbraw/zinc/36/71/88/1170367188.db2.gz VXQVRSZNTVQKEV-VKHMYHEASA-N -1 1 313.730 0.194 20 0 DCADMM O=C1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C(=O)N1 ZINC001607044624 1170367183 /nfs/dbraw/zinc/36/71/83/1170367183.db2.gz VXQVRSZNTVQKEV-VKHMYHEASA-N -1 1 313.730 0.194 20 0 DCADMM O=C1NCC[C@@H]1CCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001607051206 1170370233 /nfs/dbraw/zinc/37/02/33/1170370233.db2.gz CTNYOZRFVGRLAZ-LLVKDONJSA-N -1 1 324.348 0.651 20 0 DCADMM O=S(=O)(Cc1csc(-c2nn[n-]n2)c1)NCCCCO ZINC001607059739 1170374058 /nfs/dbraw/zinc/37/40/58/1170374058.db2.gz RAHQDOMMJVOBJL-UHFFFAOYSA-N -1 1 317.396 0.120 20 0 DCADMM O=S(=O)(NC[C@H]1CCC=CO1)c1cccnc1-c1nn[n-]n1 ZINC001607063834 1170377235 /nfs/dbraw/zinc/37/72/35/1170377235.db2.gz RSOJVLKEXZQHKK-SECBINFHSA-N -1 1 322.350 0.233 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@@H]1CCC2(CCC2)CO1 ZINC001607088834 1170386681 /nfs/dbraw/zinc/38/66/81/1170386681.db2.gz RTDRZFRWCHOYNU-VIFPVBQESA-N -1 1 318.337 0.478 20 0 DCADMM OCC[C@H](NCc1nc(-c2nnn[n-]2)cs1)C(F)(F)F ZINC001607105471 1170398107 /nfs/dbraw/zinc/39/81/07/1170398107.db2.gz DGIRJGZGEZFKHP-LURJTMIESA-N -1 1 308.289 0.726 20 0 DCADMM OCC[C@H](NCc1nc(-c2nn[n-]n2)cs1)C(F)(F)F ZINC001607105471 1170398113 /nfs/dbraw/zinc/39/81/13/1170398113.db2.gz DGIRJGZGEZFKHP-LURJTMIESA-N -1 1 308.289 0.726 20 0 DCADMM OCCC1C[C@H]2CC[C@@H](C1)N2c1cc(-c2nnn[n-]2)ncn1 ZINC001607106261 1170399307 /nfs/dbraw/zinc/39/93/07/1170399307.db2.gz SYPBCDCDMKDFGI-FGWVZKOKSA-N -1 1 301.354 0.787 20 0 DCADMM OCCC1C[C@H]2CC[C@@H](C1)N2c1cc(-c2nn[n-]n2)ncn1 ZINC001607106261 1170399310 /nfs/dbraw/zinc/39/93/10/1170399310.db2.gz SYPBCDCDMKDFGI-FGWVZKOKSA-N -1 1 301.354 0.787 20 0 DCADMM COc1cc(CCNCc2cn(CC(=O)[O-])nn2)cc(OC)c1 ZINC001607156138 1170411014 /nfs/dbraw/zinc/41/10/14/1170411014.db2.gz JGADVMUIFHFWBE-UHFFFAOYSA-N -1 1 320.349 0.712 20 0 DCADMM COc1cc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc(OC)c1O ZINC001607158039 1170411068 /nfs/dbraw/zinc/41/10/68/1170411068.db2.gz YAVQAPWDERDOQB-GHMZBOCLSA-N -1 1 311.334 0.677 20 0 DCADMM C[C@@H]1CCCN(CC(=O)NC2(C(=O)[O-])CCCCC2)[C@@H]1CO ZINC001607427427 1170451115 /nfs/dbraw/zinc/45/11/15/1170451115.db2.gz JCVJRDKAMWTGGR-CHWSQXEVSA-N -1 1 312.410 0.983 20 0 DCADMM C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCN1 ZINC001607428448 1170451193 /nfs/dbraw/zinc/45/11/93/1170451193.db2.gz YLZOVSHEBVPGTJ-SNVBAGLBSA-N -1 1 305.334 0.073 20 0 DCADMM C[C@@H]1CNCCN1C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001607441004 1170454921 /nfs/dbraw/zinc/45/49/21/1170454921.db2.gz NQRRYCQNGBUCSM-SNVBAGLBSA-N -1 1 305.334 0.073 20 0 DCADMM C[C@H](NC[C@@H](O)c1c(F)cccc1F)C(=O)N[C@@H](C)C(=O)[O-] ZINC001607459669 1170459100 /nfs/dbraw/zinc/45/91/00/1170459100.db2.gz GJVSJNIKDFELOV-DKCNOQQISA-N -1 1 316.304 0.566 20 0 DCADMM Cc1[nH]c(C(=O)CN[C@@H](CO)[C@H]2CCCOC2)c(C)c1C(=O)[O-] ZINC001607485855 1170465717 /nfs/dbraw/zinc/46/57/17/1170465717.db2.gz ALWDIPKWDPVXER-RYUDHWBXSA-N -1 1 324.377 0.890 20 0 DCADMM Cc1[nH]ncc1CCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001607499663 1170468752 /nfs/dbraw/zinc/46/87/52/1170468752.db2.gz ATHHCHUCIWCOAG-ZDUSSCGKSA-N -1 1 324.381 0.518 20 0 DCADMM Cc1c(Cl)c(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])nn1C ZINC001607528886 1170474284 /nfs/dbraw/zinc/47/42/84/1170474284.db2.gz QJLKBHWLTBCGDG-QMMMGPOBSA-N -1 1 311.729 0.531 20 0 DCADMM Cc1cc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)[nH]n1 ZINC001607571892 1170478761 /nfs/dbraw/zinc/47/87/61/1170478761.db2.gz QTTXUAIMHBXYNX-MNOVXSKESA-N -1 1 320.349 0.113 20 0 DCADMM Cc1cc2cn[nH]c2c(C(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001607572002 1170478796 /nfs/dbraw/zinc/47/87/96/1170478796.db2.gz VJHDNZBCQXTDJA-UHFFFAOYSA-N -1 1 302.334 0.714 20 0 DCADMM Cc1cc2c[nH]nc2c(C(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001607572002 1170478799 /nfs/dbraw/zinc/47/87/99/1170478799.db2.gz VJHDNZBCQXTDJA-UHFFFAOYSA-N -1 1 302.334 0.714 20 0 DCADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)nc(C)n1 ZINC001607571630 1170479094 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/nfs/dbraw/zinc/95/04/45/1170950445.db2.gz PAKJDIWPBHYWES-LLVKDONJSA-N -1 1 322.394 0.665 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609365858 1170950450 /nfs/dbraw/zinc/95/04/50/1170950450.db2.gz PAKJDIWPBHYWES-LLVKDONJSA-N -1 1 322.394 0.665 20 0 DCADMM C[S@@](=O)CCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001609368466 1170951917 /nfs/dbraw/zinc/95/19/17/1170951917.db2.gz IUSQLOKZHQLIEZ-OAQYLSRUSA-N -1 1 303.347 0.560 20 0 DCADMM CSC[C@](C)(O)CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609370489 1170951932 /nfs/dbraw/zinc/95/19/32/1170951932.db2.gz KUELDBSAGLDFJY-GFCCVEGCSA-N -1 1 311.367 0.612 20 0 DCADMM CSC[C@](C)(O)CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609370489 1170951938 /nfs/dbraw/zinc/95/19/38/1170951938.db2.gz KUELDBSAGLDFJY-GFCCVEGCSA-N -1 1 311.367 0.612 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)Cn2cc(Cl)cn2)nn1C ZINC001609379238 1170956191 /nfs/dbraw/zinc/95/61/91/1170956191.db2.gz XPTLNXVIOFBEEO-UHFFFAOYSA-N -1 1 321.732 0.397 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)Cn2cc(Cl)cn2)nn1C ZINC001609379238 1170956195 /nfs/dbraw/zinc/95/61/95/1170956195.db2.gz XPTLNXVIOFBEEO-UHFFFAOYSA-N -1 1 321.732 0.397 20 0 DCADMM Cc1nc(-c2nn[n-]n2)c(NNC(=S)NC2CCOCC2)o1 ZINC001609445910 1170980310 /nfs/dbraw/zinc/98/03/10/1170980310.db2.gz ABKOUYMNXRIKED-UHFFFAOYSA-N -1 1 324.370 0.133 20 0 DCADMM Cc1nnc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)n1C ZINC001609460892 1170985612 /nfs/dbraw/zinc/98/56/12/1170985612.db2.gz GXSBFDHYSGLJCX-UHFFFAOYSA-N -1 1 300.282 0.056 20 0 DCADMM Cc1nnc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)n1C ZINC001609460892 1170985618 /nfs/dbraw/zinc/98/56/18/1170985618.db2.gz GXSBFDHYSGLJCX-UHFFFAOYSA-N -1 1 300.282 0.056 20 0 DCADMM Cc1nnc(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC001609461295 1170986133 /nfs/dbraw/zinc/98/61/33/1170986133.db2.gz XDSYYGHEEHOBDB-UHFFFAOYSA-N -1 1 302.323 0.698 20 0 DCADMM Cc1nnc(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC001609461295 1170986140 /nfs/dbraw/zinc/98/61/40/1170986140.db2.gz XDSYYGHEEHOBDB-UHFFFAOYSA-N -1 1 302.323 0.698 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001609465321 1170987514 /nfs/dbraw/zinc/98/75/14/1170987514.db2.gz QFBPOWDOMCFCMP-ZETCQYMHSA-N -1 1 309.355 0.478 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001609465321 1170987515 /nfs/dbraw/zinc/98/75/15/1170987515.db2.gz QFBPOWDOMCFCMP-ZETCQYMHSA-N -1 1 309.355 0.478 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCOCC(F)F)n1 ZINC001609477448 1170991205 /nfs/dbraw/zinc/99/12/05/1170991205.db2.gz XPSSEWCPYVZZQY-UHFFFAOYSA-N -1 1 301.257 0.211 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCOCC(F)F)n1 ZINC001609477448 1170991212 /nfs/dbraw/zinc/99/12/12/1170991212.db2.gz XPSSEWCPYVZZQY-UHFFFAOYSA-N -1 1 301.257 0.211 20 0 DCADMM Cn1cc(C[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001609479026 1170991716 /nfs/dbraw/zinc/99/17/16/1170991716.db2.gz IWBWRMPBCLJNAU-JTQLQIEISA-N -1 1 311.353 0.459 20 0 DCADMM Cn1cc(C[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001609479026 1170991718 /nfs/dbraw/zinc/99/17/18/1170991718.db2.gz IWBWRMPBCLJNAU-JTQLQIEISA-N -1 1 311.353 0.459 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001609502664 1171002592 /nfs/dbraw/zinc/00/25/92/1171002592.db2.gz TVMCDECWBKECNQ-VIFPVBQESA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609502664 1171002601 /nfs/dbraw/zinc/00/26/01/1171002601.db2.gz TVMCDECWBKECNQ-VIFPVBQESA-N -1 1 302.342 0.139 20 0 DCADMM O=C(NCCCO[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)o1 ZINC001609547985 1171016122 /nfs/dbraw/zinc/01/61/22/1171016122.db2.gz NGVPPAYZTSTWRO-SECBINFHSA-N -1 1 307.310 0.385 20 0 DCADMM O=C(NCCCO[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)o1 ZINC001609547985 1171016130 /nfs/dbraw/zinc/01/61/30/1171016130.db2.gz NGVPPAYZTSTWRO-SECBINFHSA-N -1 1 307.310 0.385 20 0 DCADMM O=C(NCCc1ccc(CO)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001609551087 1171018566 /nfs/dbraw/zinc/01/85/66/1171018566.db2.gz PFABFYQWGNAVBS-UHFFFAOYSA-N -1 1 324.344 0.727 20 0 DCADMM O=C(NCCc1ccc(CO)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001609551087 1171018571 /nfs/dbraw/zinc/01/85/71/1171018571.db2.gz PFABFYQWGNAVBS-UHFFFAOYSA-N -1 1 324.344 0.727 20 0 DCADMM O=C(NC[C@H]1CCCC[C@@H]1O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609552380 1171019194 /nfs/dbraw/zinc/01/91/94/1171019194.db2.gz IEWCAVYNRVXBCG-KOLCDFICSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(NC[C@H]1CCCC[C@@H]1O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609552380 1171019196 /nfs/dbraw/zinc/01/91/96/1171019196.db2.gz IEWCAVYNRVXBCG-KOLCDFICSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(NCCc1ccc(O)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001609551037 1171019812 /nfs/dbraw/zinc/01/98/12/1171019812.db2.gz MOKLBUYPNSLHTF-UHFFFAOYSA-N -1 1 310.317 0.940 20 0 DCADMM O=C(NCCc1ccc(O)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001609551037 1171019820 /nfs/dbraw/zinc/01/98/20/1171019820.db2.gz MOKLBUYPNSLHTF-UHFFFAOYSA-N -1 1 310.317 0.940 20 0 DCADMM O=C(Nc1cccc2c1CNC2=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609568398 1171023653 /nfs/dbraw/zinc/02/36/53/1171023653.db2.gz OVDLKLKBQJVQDN-UHFFFAOYSA-N -1 1 321.300 0.757 20 0 DCADMM O=C(Nc1cccc2c1CNC2=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609568398 1171023663 /nfs/dbraw/zinc/02/36/63/1171023663.db2.gz OVDLKLKBQJVQDN-UHFFFAOYSA-N -1 1 321.300 0.757 20 0 DCADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cc2n(n1)CCC2 ZINC001609577494 1171026847 /nfs/dbraw/zinc/02/68/47/1171026847.db2.gz NDFMBSOZZAXTDH-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cc2n(n1)CCC2 ZINC001609577494 1171026853 /nfs/dbraw/zinc/02/68/53/1171026853.db2.gz NDFMBSOZZAXTDH-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC001609581556 1171029663 /nfs/dbraw/zinc/02/96/63/1171029663.db2.gz RWRNPQOPGZFEHF-UWVGGRQHSA-N -1 1 303.322 0.958 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC001609581556 1171029669 /nfs/dbraw/zinc/02/96/69/1171029669.db2.gz RWRNPQOPGZFEHF-UWVGGRQHSA-N -1 1 303.322 0.958 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC2(CC1)OCCCO2 ZINC001609581577 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CC(C)C[C@H](NC(=O)CN1C[C@H](C)C[C@@H](CO)C1)C(=O)[O-] ZINC001609693195 1171067017 /nfs/dbraw/zinc/06/70/17/1171067017.db2.gz AUCSMHAFZRQDEA-UPJWGTAASA-N -1 1 300.399 0.552 20 0 DCADMM C[C@H](CNC(=O)c1ccc(C(=O)[O-])n1C)N1CCN(C)CC1 ZINC001609745955 1171077248 /nfs/dbraw/zinc/07/72/48/1171077248.db2.gz RGOMFYUBOXPRQU-LLVKDONJSA-N -1 1 308.382 0.089 20 0 DCADMM C[C@H](Oc1ccccn1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001609804426 1171089691 /nfs/dbraw/zinc/08/96/91/1171089691.db2.gz MKXZKJSKSWNJFV-OLZOCXBDSA-N -1 1 321.377 0.856 20 0 DCADMM C[C@H]1CN(C(=O)COCc2cccnc2)CCN1CCC(=O)[O-] ZINC001609863531 1171106702 /nfs/dbraw/zinc/10/67/02/1171106702.db2.gz DDWYLBXNQPBBBZ-ZDUSSCGKSA-N -1 1 321.377 0.606 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])n2C)CCN1CC(C)(C)O ZINC001609864537 1171108457 /nfs/dbraw/zinc/10/84/57/1171108457.db2.gz ALDRXCKZKDMZJW-LLVKDONJSA-N -1 1 323.393 0.641 20 0 DCADMM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)[C@H](C)CN1 ZINC001609863647 1171108635 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CNS(=O)(=O)c1cc(NC(=O)[C@H](C)CC(=O)[O-])ccc1O ZINC001610148047 1171177258 /nfs/dbraw/zinc/17/72/58/1171177258.db2.gz CEEALQXNFJEUEA-SSDOTTSWSA-N -1 1 316.335 0.350 20 0 DCADMM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1[nH]nc2c1CCCCC2 ZINC001610150424 1171178568 /nfs/dbraw/zinc/17/85/68/1171178568.db2.gz DQMREGGXKBJOGM-SNVBAGLBSA-N -1 1 309.322 0.425 20 0 DCADMM COC[C@@H](NCC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CCCO1 ZINC001610250417 1171207760 /nfs/dbraw/zinc/20/77/60/1171207760.db2.gz ZUOSHOROADHWNC-OLZOCXBDSA-N -1 1 314.382 0.093 20 0 DCADMM COCCn1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)n1 ZINC001610267670 1171213537 /nfs/dbraw/zinc/21/35/37/1171213537.db2.gz QCOJDYJFCLICLQ-GFCCVEGCSA-N -1 1 324.381 0.151 20 0 DCADMM COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H]2COCCN2)c1OC ZINC001610283891 1171216316 /nfs/dbraw/zinc/21/63/16/1171216316.db2.gz TYUKJPAWRKILGT-SNVBAGLBSA-N -1 1 324.333 0.719 20 0 DCADMM COc1ccc(CN2CCC3(CC(C(=O)[O-])=NO3)CC2)nn1 ZINC001610333885 1171220809 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20 0 DCADMM CO[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001082669536 757220773 /nfs/dbraw/zinc/22/07/73/757220773.db2.gz HAAIFPQYTRTVII-IRUJWGPZSA-N -1 1 323.397 0.262 20 0 DCADMM C[C@H](C(=O)NCCN(CCO)C(=O)c1ncccc1[O-])C1CC1 ZINC001057410584 757735439 /nfs/dbraw/zinc/73/54/39/757735439.db2.gz SMQGEFRJCLTEPA-NSHDSACASA-N -1 1 321.377 0.384 20 0 DCADMM COCCOc1cnc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cn1 ZINC001170219220 762570514 /nfs/dbraw/zinc/57/05/14/762570514.db2.gz LJELRICSSTZOPV-UHFFFAOYSA-N -1 1 319.281 0.275 20 0 DCADMM NC(=O)c1cc(Cl)nnc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170217877 762570757 /nfs/dbraw/zinc/57/07/57/762570757.db2.gz NTUIOSHVURKYDS-UHFFFAOYSA-N -1 1 322.672 0.002 20 0 DCADMM CCOC(=O)c1cc(Nc2[n-]c(=O)nc3nc[nH]c32)c[n+]([O-])c1 ZINC001170231418 762574942 /nfs/dbraw/zinc/57/49/42/762574942.db2.gz AHFAKQTWEARFEJ-UHFFFAOYSA-N -1 1 316.277 0.612 20 0 DCADMM Cn1[n-]c(CN2CCC3(CN(C(=O)/C=C/C4CC4)C3)C2)nc1=O ZINC001072568615 762576129 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CC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573440030 948258131 /nfs/dbraw/zinc/25/81/31/948258131.db2.gz YPHXOXORUIFAJN-MWLCHTKSSA-N -1 1 316.369 0.776 20 0 DCADMM O=C(CC1CCCC1)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001487978315 948399514 /nfs/dbraw/zinc/39/95/14/948399514.db2.gz QXGAIDANNCYADQ-LBPRGKRZSA-N -1 1 321.377 0.574 20 0 DCADMM O=C(c1ccnn1CC1CCC1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548761498 1013088134 /nfs/dbraw/zinc/08/81/34/1013088134.db2.gz CHDCEPMXWGHVEX-LLVKDONJSA-N -1 1 301.354 0.826 20 0 DCADMM CO[C@](C)(C(=O)[O-])C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001327592883 948563220 /nfs/dbraw/zinc/56/32/20/948563220.db2.gz NTDJVNVWTFQSGQ-WDMOLILDSA-N -1 1 302.371 0.092 20 0 DCADMM COC(=O)[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C1CC1 ZINC001570918527 948575316 /nfs/dbraw/zinc/57/53/16/948575316.db2.gz GNQCYQMTNVFCOO-VHSXEESVSA-N -1 1 315.337 0.292 20 0 DCADMM COC(=O)[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C1CC1 ZINC001570918527 948575320 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CC(C)C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001570921049 948612147 /nfs/dbraw/zinc/61/21/47/948612147.db2.gz LVNPSLVTGLEVEV-MWLCHTKSSA-N -1 1 316.369 0.572 20 0 DCADMM CC(C)C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001570921049 948612151 /nfs/dbraw/zinc/61/21/51/948612151.db2.gz LVNPSLVTGLEVEV-MWLCHTKSSA-N -1 1 316.369 0.572 20 0 DCADMM CCOc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)[nH]n1 ZINC001570921434 948619765 /nfs/dbraw/zinc/61/97/65/948619765.db2.gz AGSUOUUUXVRJLP-UHFFFAOYSA-N -1 1 319.350 0.980 20 0 DCADMM CC(=O)N(C)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001570921409 948620459 /nfs/dbraw/zinc/62/04/59/948620459.db2.gz YYGQGYLARZMKCH-UHFFFAOYSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N(C)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001570921409 948620465 /nfs/dbraw/zinc/62/04/65/948620465.db2.gz YYGQGYLARZMKCH-UHFFFAOYSA-N -1 1 316.369 0.858 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H]1CC[C@@H](O)C1 ZINC001570921555 948623093 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CC1=NO[C@@H](CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001570932677 948865302 /nfs/dbraw/zinc/86/53/02/948865302.db2.gz WEBLOVTWNWSNEL-MRVPVSSYSA-N -1 1 321.366 0.892 20 0 DCADMM C[C@H](CN(C)C(=O)C(C)(C)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574694833 949097580 /nfs/dbraw/zinc/09/75/80/949097580.db2.gz WVRQUVMVJGYQMN-MRVPVSSYSA-N -1 1 322.348 0.664 20 0 DCADMM C[C@H](CN(C)C(=O)C(C)(C)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574694833 949097600 /nfs/dbraw/zinc/09/76/00/949097600.db2.gz WVRQUVMVJGYQMN-MRVPVSSYSA-N -1 1 322.348 0.664 20 0 DCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1C[C@@H]1C ZINC001574696875 949146017 /nfs/dbraw/zinc/14/60/17/949146017.db2.gz WKMGNUBHBBYQNC-GUBZILKMSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1C[C@@H]1C ZINC001574696875 949146036 /nfs/dbraw/zinc/14/60/36/949146036.db2.gz WKMGNUBHBBYQNC-GUBZILKMSA-N -1 1 316.369 0.619 20 0 DCADMM COc1cnc(C(C)(C)NC(=O)Nc2nnn(C)c2C)[n-]c1=O ZINC001364405984 949206392 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/nfs/dbraw/zinc/51/81/05/958518105.db2.gz POPRDPDYBFLQBH-QMMMGPOBSA-N -1 1 310.383 0.194 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cc(Cl)no1 ZINC001367766171 958528673 /nfs/dbraw/zinc/52/86/73/958528673.db2.gz NGEPWVUAROSODZ-YFKPBYRVSA-N -1 1 300.706 0.060 20 0 DCADMM Cc1cc([C@](C)(O)CNC(=O)CCCc2nn[n-]n2)c(C)o1 ZINC001362018201 958615797 /nfs/dbraw/zinc/61/57/97/958615797.db2.gz LQJLTZZRQNCPJO-CQSZACIVSA-N -1 1 307.354 0.756 20 0 DCADMM COc1cccc(C[C@@H]2CN(C(=O)[C@@H](C)C(=O)[O-])CCN2)c1 ZINC001594126836 958644559 /nfs/dbraw/zinc/64/45/59/958644559.db2.gz YPBIHQFVFXQUQY-DGCLKSJQSA-N -1 1 306.362 0.759 20 0 DCADMM CSc1ncc(C(=O)NCc2cnc(N(C)C)n2C)c(=O)[n-]1 ZINC001362055057 958662234 /nfs/dbraw/zinc/66/22/34/958662234.db2.gz SXSODBAZWBQTMZ-UHFFFAOYSA-N -1 1 322.394 0.634 20 0 DCADMM CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001367828711 958666777 /nfs/dbraw/zinc/66/67/77/958666777.db2.gz FWLRCONIAFAAJE-IJLUTSLNSA-N -1 1 309.414 0.481 20 0 DCADMM CSc1ncc(C(=O)N2CCC[C@H](CC(N)=O)C2)c(=O)[n-]1 ZINC001362071445 958690630 /nfs/dbraw/zinc/69/06/30/958690630.db2.gz ZPFYETQMYNNTOF-MRVPVSSYSA-N -1 1 310.379 0.632 20 0 DCADMM Nc1nsc(N2CCN(C(=O)c3ccc(F)c([O-])c3)CC2)n1 ZINC001362080136 958704018 /nfs/dbraw/zinc/70/40/18/958704018.db2.gz PLPZQWGRPKORAZ-UHFFFAOYSA-N -1 1 323.353 0.927 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCn2cnnc2C1 ZINC001362111929 958757502 /nfs/dbraw/zinc/75/75/02/958757502.db2.gz HOEATVGOORYPPH-UHFFFAOYSA-N -1 1 306.351 0.460 20 0 DCADMM Cc1ccc(N2C[C@@H](C(=O)NCc3nn[n-]n3)CC2=O)cc1C ZINC001362121914 958771758 /nfs/dbraw/zinc/77/17/58/958771758.db2.gz ACZWHACSIKMWQG-NSHDSACASA-N -1 1 314.349 0.486 20 0 DCADMM CC(C)n1ncc(C(=O)NCc2nn[n-]n2)c1Br ZINC001362123854 958777398 /nfs/dbraw/zinc/77/73/98/958777398.db2.gz FWMWTOSIXMQMSD-UHFFFAOYSA-N -1 1 314.147 0.670 20 0 DCADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCC(N)=O ZINC001362127492 958783145 /nfs/dbraw/zinc/78/31/45/958783145.db2.gz IBOFWBGHVIALTR-UHFFFAOYSA-N -1 1 315.333 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COCC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001376878754 959045819 /nfs/dbraw/zinc/04/58/19/959045819.db2.gz CNIVDYLWUUMFGA-SNVBAGLBSA-N -1 1 309.366 0.694 20 0 DCADMM Cc1cccn2cc(Cn3cc(CNCC(=O)[O-])nn3)nc12 ZINC001594421029 959067590 /nfs/dbraw/zinc/06/75/90/959067590.db2.gz YQOALLZPKAAQDL-UHFFFAOYSA-N -1 1 300.322 0.457 20 0 DCADMM C[C@H](CNC(=O)c1scnc1Cl)NCc1n[nH]c(=O)[n-]1 ZINC001491675058 959118042 /nfs/dbraw/zinc/11/80/42/959118042.db2.gz ONSNQOXUOXNWHV-RXMQYKEDSA-N -1 1 316.774 0.528 20 0 DCADMM O=C(NCCCNC(=O)[C@@H]1C[C@@]12CCOC2)c1ncccc1[O-] ZINC001491678255 959124417 /nfs/dbraw/zinc/12/44/17/959124417.db2.gz FWQHXSATSWSJPI-MEDUHNTESA-N -1 1 319.361 0.450 20 0 DCADMM Cc1nonc1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001491679650 959125122 /nfs/dbraw/zinc/12/51/22/959125122.db2.gz YIUNEYBVJFHLGN-UHFFFAOYSA-N -1 1 305.294 0.029 20 0 DCADMM CCc1nc(C)c(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)o1 ZINC001362365767 959222986 /nfs/dbraw/zinc/22/29/86/959222986.db2.gz ITQNWBJHBCJHBL-MRVPVSSYSA-N -1 1 308.367 0.989 20 0 DCADMM CCc1c[nH]c(CC(=O)N2CCSC[C@H]2c2nn[n-]n2)n1 ZINC001362369939 959230878 /nfs/dbraw/zinc/23/08/78/959230878.db2.gz TVVNDCFUBJQHJQ-VIFPVBQESA-N -1 1 307.383 0.344 20 0 DCADMM O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1ccc([O-])cn1 ZINC001362377313 959245725 /nfs/dbraw/zinc/24/57/25/959245725.db2.gz NTBHIRONFSUUSS-SECBINFHSA-N -1 1 322.346 0.596 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC(=O)c2ccccc21 ZINC001362378145 959247188 /nfs/dbraw/zinc/24/71/88/959247188.db2.gz SZNUHGMGRASDFJ-SECBINFHSA-N -1 1 315.285 0.954 20 0 DCADMM C[C@@](NC(=O)CCCc1nn[nH]n1)(C(=O)[O-])c1ccccc1 ZINC001573563118 959276875 /nfs/dbraw/zinc/27/68/75/959276875.db2.gz RXGNWVLBHYCIKT-AWEZNQCLSA-N -1 1 303.322 0.639 20 0 DCADMM O=C(CCCc1nn[n-]n1)Nc1cc([C@H]2CCCOC2)[nH]n1 ZINC001362401309 959280927 /nfs/dbraw/zinc/28/09/27/959280927.db2.gz AKXGNAHXLSESCO-VIFPVBQESA-N -1 1 305.342 0.778 20 0 DCADMM Cc1[nH]ncc1CNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594442471 959293349 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COC(=O)c1ccc(CNC(=O)c2cnncc2[O-])cc1OC ZINC001362588429 959652142 /nfs/dbraw/zinc/65/21/42/959652142.db2.gz OCINIWMFCIAKGJ-UHFFFAOYSA-N -1 1 317.301 0.907 20 0 DCADMM CC(C)c1nc([C@@H](C)NC(=O)CSc2n[nH]c(=O)[n-]2)n[nH]1 ZINC001362597297 959669316 /nfs/dbraw/zinc/66/93/16/959669316.db2.gz AWWNVJHCSQEDBH-ZCFIWIBFSA-N -1 1 311.371 0.721 20 0 DCADMM CSc1ncc(C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c(=O)[n-]1 ZINC001362602461 959679133 /nfs/dbraw/zinc/67/91/33/959679133.db2.gz TXVAFXKMKFEPQR-RDLWGGRYSA-N -1 1 315.420 0.886 20 0 DCADMM CSc1ncc(C(=O)N[C@H](CO)c2cnn(C)c2)c(=O)[n-]1 ZINC001362608322 959688855 /nfs/dbraw/zinc/68/88/55/959688855.db2.gz YCAZXFHPIMDGBR-SECBINFHSA-N -1 1 309.351 0.101 20 0 DCADMM C[C@H](CN(C)C(=O)[C@@H]1CC(c2ccccn2)=NO1)c1nn[n-]n1 ZINC001362620042 959711891 /nfs/dbraw/zinc/71/18/91/959711891.db2.gz YBEQTBBGGFCWRG-SKDRFNHKSA-N -1 1 315.337 0.350 20 0 DCADMM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc([O-])c1F ZINC001362651370 959768602 /nfs/dbraw/zinc/76/86/02/959768602.db2.gz 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/nfs/dbraw/zinc/82/00/48/959820048.db2.gz ZXRFJSGQNAMQLG-UHFFFAOYSA-N -1 1 322.325 0.607 20 0 DCADMM CSCC[C@H](NC(=O)c1cccc(C(N)=O)c1)c1nn[n-]n1 ZINC001362686919 959828735 /nfs/dbraw/zinc/82/87/35/959828735.db2.gz IXIJQMKQELCKIV-JTQLQIEISA-N -1 1 320.378 0.523 20 0 DCADMM CCC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1 ZINC001362685539 959829537 /nfs/dbraw/zinc/82/95/37/959829537.db2.gz FGNWMYNEJHZJLG-MNOVXSKESA-N -1 1 306.370 0.164 20 0 DCADMM CC1CCC(C)(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)CC1 ZINC001377275738 959841388 /nfs/dbraw/zinc/84/13/88/959841388.db2.gz AVGNAWBBYRPRKD-UHFFFAOYSA-N -1 1 323.441 0.873 20 0 DCADMM Cc1noc(CCCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)n1 ZINC001362705844 959862756 /nfs/dbraw/zinc/86/27/56/959862756.db2.gz CIGSWHFPXRDSTO-SNVBAGLBSA-N -1 1 305.342 0.620 20 0 DCADMM CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2nc([O-])cc(=O)[nH]2)C1 ZINC001362727804 959900507 /nfs/dbraw/zinc/90/05/07/959900507.db2.gz WOWPEJNGWLDDFU-DTWKUNHWSA-N -1 1 309.322 0.483 20 0 DCADMM Cn1cc([C@@H](NC(=O)CCCc2nn[n-]n2)C(F)(F)F)cn1 ZINC001362758942 959944591 /nfs/dbraw/zinc/94/45/91/959944591.db2.gz IUXAZUVZKAKMSB-SNVBAGLBSA-N -1 1 317.275 0.676 20 0 DCADMM CC(C)(C)c1nnc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)s1 ZINC001362761952 959949937 /nfs/dbraw/zinc/94/99/37/959949937.db2.gz QVPDXCHJJGUWAK-ZETCQYMHSA-N -1 1 323.382 0.562 20 0 DCADMM O=C(C=CCn1cncn1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001301648667 960007839 /nfs/dbraw/zinc/00/78/39/960007839.db2.gz DHIPXZILWVTIGN-IRBQFCFKSA-N -1 1 310.321 0.253 20 0 DCADMM O=C(/C=C\Cn1cncn1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001301648667 960007851 /nfs/dbraw/zinc/00/78/51/960007851.db2.gz DHIPXZILWVTIGN-IRBQFCFKSA-N -1 1 310.321 0.253 20 0 DCADMM Cc1noc2ncc(C(=O)N3CCOC[C@H]3c3nn[n-]n3)cc12 ZINC001302137705 960015313 /nfs/dbraw/zinc/01/53/13/960015313.db2.gz QOWCQXCFJUZDCF-JTQLQIEISA-N -1 1 315.293 0.258 20 0 DCADMM O=C(N[C@@H](CO)C(=O)OCc1ccccc1)c1cnncc1[O-] ZINC001362810609 960024847 /nfs/dbraw/zinc/02/48/47/960024847.db2.gz VDZSNMGTAKNCFZ-LBPRGKRZSA-N -1 1 317.301 0.016 20 0 DCADMM O=C(c1cccc2nsnc21)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001302937722 960036816 /nfs/dbraw/zinc/03/68/16/960036816.db2.gz QFJJJDKQDBTKMO-SSDOTTSWSA-N -1 1 301.335 0.834 20 0 DCADMM Cc1ccnc2nc(C(=O)N(Cc3nn[n-]n3)CC(C)C)nn21 ZINC001303199778 960043956 /nfs/dbraw/zinc/04/39/56/960043956.db2.gz PRVDDJGPRFMTFZ-UHFFFAOYSA-N -1 1 315.341 0.244 20 0 DCADMM COC[C@@H](NC(=O)[C@@H](C)n1cnc2ccccc21)c1nn[n-]n1 ZINC001303580057 960056558 /nfs/dbraw/zinc/05/65/58/960056558.db2.gz NYQLCMKKUYCBAB-MWLCHTKSSA-N -1 1 315.337 0.614 20 0 DCADMM O=C(c1cnc2cccnn21)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001303595506 960059604 /nfs/dbraw/zinc/05/96/04/960059604.db2.gz GOGVZPFIJLMKAL-JTQLQIEISA-N -1 1 312.337 0.337 20 0 DCADMM O=C(C[C@H]1C(=O)Nc2ccccc21)NC1(c2nn[n-]n2)CCC1 ZINC001362834275 960061551 /nfs/dbraw/zinc/06/15/51/960061551.db2.gz JBRNKXPRLRIGCJ-SNVBAGLBSA-N -1 1 312.333 0.821 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])Nc1nc(Cl)ccc1O ZINC001306827642 960134190 /nfs/dbraw/zinc/13/41/90/960134190.db2.gz SWZQBQDKUSGWET-UHFFFAOYSA-N -1 1 322.708 0.910 20 0 DCADMM O=C(CNC(=O)c1ncccc1O)Nc1nc(Cl)ccc1[O-] ZINC001306827642 960134195 /nfs/dbraw/zinc/13/41/95/960134195.db2.gz SWZQBQDKUSGWET-UHFFFAOYSA-N -1 1 322.708 0.910 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)C(=O)c2cccc(C)c2)n[n-]1 ZINC001306825901 960134638 /nfs/dbraw/zinc/13/46/38/960134638.db2.gz AGIDPYZVZBBZDQ-UHFFFAOYSA-N -1 1 316.317 0.789 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)C(=O)c2cccc(C)c2)n1 ZINC001306825901 960134644 /nfs/dbraw/zinc/13/46/44/960134644.db2.gz AGIDPYZVZBBZDQ-UHFFFAOYSA-N -1 1 316.317 0.789 20 0 DCADMM COC[C@H](NC(=O)CCc1ccc(F)cc1F)c1nn[n-]n1 ZINC001362909901 960165424 /nfs/dbraw/zinc/16/54/24/960165424.db2.gz OEKBWJDXIDYZGV-NSHDSACASA-N -1 1 311.292 0.914 20 0 DCADMM O=C(NCCn1ccc(=O)[nH]c1=O)c1c(F)ccc([O-])c1F ZINC001362911580 960167690 /nfs/dbraw/zinc/16/76/90/960167690.db2.gz UJJDVVMPJRYZDF-UHFFFAOYSA-N -1 1 311.244 0.363 20 0 DCADMM COC(=O)c1cnc([C@H](C)NC(=O)c2cnncc2[O-])s1 ZINC001362911053 960168247 /nfs/dbraw/zinc/16/82/47/960168247.db2.gz JXDBTWBBUXBBOQ-LURJTMIESA-N -1 1 308.319 0.916 20 0 DCADMM COC[C@@H](NC(=O)[C@H](C)c1ccc2c(c1)OCO2)c1nn[n-]n1 ZINC001362912471 960169530 /nfs/dbraw/zinc/16/95/30/960169530.db2.gz YVVBTWSIOILGCN-PSASIEDQSA-N -1 1 319.321 0.536 20 0 DCADMM CCn1cc(OS(=O)(=O)c2cc(C(=O)OC)[n-]n2)cn1 ZINC001309396658 960195014 /nfs/dbraw/zinc/19/50/14/960195014.db2.gz FDVLLEWRRYSAIV-UHFFFAOYSA-N -1 1 300.296 0.180 20 0 DCADMM CSc1ncc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(=O)[n-]1 ZINC001362934840 960196956 /nfs/dbraw/zinc/19/69/56/960196956.db2.gz DKIWVXBTUREJKE-NRPADANISA-N -1 1 322.390 0.630 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCN(C)C(=O)C1 ZINC001362940499 960204450 /nfs/dbraw/zinc/20/44/50/960204450.db2.gz MFOVEBFBUZFHNY-QMMMGPOBSA-N -1 1 310.379 0.563 20 0 DCADMM C[C@H](c1ccccc1)[C@@H](NC(=O)CCCc1nn[n-]n1)C(N)=O ZINC001362945425 960211400 /nfs/dbraw/zinc/21/14/00/960211400.db2.gz SZMVJJZYBWKMSM-QMTHXVAHSA-N -1 1 316.365 0.296 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC001362973115 960243908 /nfs/dbraw/zinc/24/39/08/960243908.db2.gz QIRNBXLDQMPNSU-KCJUWKMLSA-N -1 1 319.317 0.748 20 0 DCADMM CC(C)(C)n1cnc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)n1 ZINC001362972045 960244553 /nfs/dbraw/zinc/24/45/53/960244553.db2.gz NGNXYZCXOODLHD-QMMMGPOBSA-N -1 1 322.398 0.477 20 0 DCADMM CCCC[C@@H](NC(N)=O)C(=O)Nc1nc(C(=O)OCC)c[nH]1 ZINC001362977639 960250607 /nfs/dbraw/zinc/25/06/07/960250607.db2.gz OKEFBKXRVHZASN-MRVPVSSYSA-N -1 1 311.342 0.752 20 0 DCADMM CCCC[C@@H](NC(N)=O)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001362977639 960250612 /nfs/dbraw/zinc/25/06/12/960250612.db2.gz OKEFBKXRVHZASN-MRVPVSSYSA-N -1 1 311.342 0.752 20 0 DCADMM C[C@@H](CNC(=O)Cc1cncs1)NC(=O)c1ncccc1[O-] ZINC001377546667 960261884 /nfs/dbraw/zinc/26/18/84/960261884.db2.gz SPSMLUDQECRQTJ-VIFPVBQESA-N -1 1 320.374 0.721 20 0 DCADMM CCOC(=O)C[C@@H](NC(=O)CCc1nn[n-]n1)C(F)(F)F ZINC001363026629 960316424 /nfs/dbraw/zinc/31/64/24/960316424.db2.gz YAQWMDGJVLEMJL-ZCFIWIBFSA-N -1 1 309.248 0.133 20 0 DCADMM CCc1nocc1CN(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001363040453 960332432 /nfs/dbraw/zinc/33/24/32/960332432.db2.gz RZPWQWXLRFLOOR-UHFFFAOYSA-N -1 1 308.294 0.719 20 0 DCADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@H]1CCC(=O)c2cccn21 ZINC001363041441 960335072 /nfs/dbraw/zinc/33/50/72/960335072.db2.gz VAUPIHODCCVFCU-SECBINFHSA-N -1 1 302.290 0.523 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)c1cncc(F)c1 ZINC001368839678 960340165 /nfs/dbraw/zinc/34/01/65/960340165.db2.gz MBNCJWWONWVIAB-HTQZYQBOSA-N -1 1 308.317 0.341 20 0 DCADMM C[C@H](NCc1ncccn1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001368839583 960340594 /nfs/dbraw/zinc/34/05/94/960340594.db2.gz KNNCCXDBNXWSQU-QWRGUYRKSA-N -1 1 301.350 0.874 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)COC(F)(F)F)n[n-]1 ZINC001363047827 960342199 /nfs/dbraw/zinc/34/21/99/960342199.db2.gz YDNHURPIEBBHHI-YFKPBYRVSA-N -1 1 310.232 0.695 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)COC(F)(F)F)[n-]1 ZINC001363047827 960342205 /nfs/dbraw/zinc/34/22/05/960342205.db2.gz YDNHURPIEBBHHI-YFKPBYRVSA-N -1 1 310.232 0.695 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)COC(F)(F)F)n1 ZINC001363047827 960342210 /nfs/dbraw/zinc/34/22/10/960342210.db2.gz YDNHURPIEBBHHI-YFKPBYRVSA-N -1 1 310.232 0.695 20 0 DCADMM Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1c[n-][nH]c1=O ZINC001413845946 960342920 /nfs/dbraw/zinc/34/29/20/960342920.db2.gz LIRIIBRUAWLZIT-UHFFFAOYSA-N -1 1 324.362 0.926 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H](CO)c1ccccc1 ZINC001363053746 960348777 /nfs/dbraw/zinc/34/87/77/960348777.db2.gz BHGZFISFURRFAU-JTQLQIEISA-N -1 1 319.317 0.702 20 0 DCADMM CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001377629846 960371235 /nfs/dbraw/zinc/37/12/35/960371235.db2.gz IFKIUVHSRAPRQU-LBPRGKRZSA-N -1 1 320.393 0.460 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)co1 ZINC001363073085 960372448 /nfs/dbraw/zinc/37/24/48/960372448.db2.gz YHTNADZPCJRRQM-AEJSXWLSSA-N -1 1 316.379 0.731 20 0 DCADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN([C@@H](C)C(N)=O)C1 ZINC001377656829 960397053 /nfs/dbraw/zinc/39/70/53/960397053.db2.gz LBELWEWBHVTZAK-NWDGAFQWSA-N -1 1 320.393 0.588 20 0 DCADMM CC(=O)c1cncc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)c1 ZINC001363115975 960420653 /nfs/dbraw/zinc/42/06/53/960420653.db2.gz HZXBIDYIOKZHKW-NSHDSACASA-N -1 1 302.294 0.011 20 0 DCADMM CCO[C@H]1C[C@@](O)(CNC(=O)CCCc2nn[n-]n2)C1(C)C ZINC001363132727 960451159 /nfs/dbraw/zinc/45/11/59/960451159.db2.gz CNBXJENSEPNCTH-IINYFYTJSA-N -1 1 311.386 0.205 20 0 DCADMM CN(C(=O)C1(NC(=O)OC(C)(C)C)CCCC1)c1nn[n-]n1 ZINC001363148877 960484356 /nfs/dbraw/zinc/48/43/56/960484356.db2.gz DZJCOWJHPPGJQR-UHFFFAOYSA-N -1 1 310.358 1.000 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(C(F)(F)F)CC1 ZINC001363169541 960525307 /nfs/dbraw/zinc/52/53/07/960525307.db2.gz PJGPLFKFJLREQH-UHFFFAOYSA-N -1 1 307.228 0.969 20 0 DCADMM COc1ncc(CCNC(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC001363169874 960527812 /nfs/dbraw/zinc/52/78/12/960527812.db2.gz STWAQPLUZTYARD-UHFFFAOYSA-N -1 1 315.333 0.831 20 0 DCADMM CC(C)c1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)cc(=O)[nH]1 ZINC001363205793 960603258 /nfs/dbraw/zinc/60/32/58/960603258.db2.gz ZCACGUYXIMCGSP-NSHDSACASA-N -1 1 318.337 0.637 20 0 DCADMM O=C(c1cccc([O-])c1F)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001363209000 960610475 /nfs/dbraw/zinc/61/04/75/960610475.db2.gz KVUSAXMIQWDNCZ-AAEUAGOBSA-N -1 1 308.309 0.651 20 0 DCADMM O=C([N-]CC1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)C(F)(F)F ZINC001363211045 960614933 /nfs/dbraw/zinc/61/49/33/960614933.db2.gz HAHJFQLWKLTPBC-BBBLOLIVSA-N -1 1 306.284 0.691 20 0 DCADMM O=C(C[C@@H]1OC(=O)c2ccccc21)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001363219184 960629695 /nfs/dbraw/zinc/62/96/95/960629695.db2.gz QAAGGQWXJZNWJT-SKDRFNHKSA-N -1 1 313.317 0.817 20 0 DCADMM CSc1ncc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)c(=O)[n-]1 ZINC001363274477 960757184 /nfs/dbraw/zinc/75/71/84/960757184.db2.gz ONLKKUQAZURXOS-SSDOTTSWSA-N -1 1 317.392 0.163 20 0 DCADMM Cc1cn2c(n1)C[C@H](C(=O)N(Cc1nn[n-]n1)CC(C)C)CC2 ZINC001363275417 960760078 /nfs/dbraw/zinc/76/00/78/960760078.db2.gz GWGWYFBADRSDEA-GFCCVEGCSA-N -1 1 317.397 0.952 20 0 DCADMM COC(=O)[C@H]1C[C@@H](C(=O)N[C@@H](CCSC)c2nn[n-]n2)C1 ZINC001363280671 960772515 /nfs/dbraw/zinc/77/25/15/960772515.db2.gz TXWKCCCDTOYYHX-YIZRAAEISA-N -1 1 313.383 0.309 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC001464129672 1013198821 /nfs/dbraw/zinc/19/88/21/1013198821.db2.gz OUGWQAHOLVOFCD-LURJTMIESA-N -1 1 309.294 0.520 20 0 DCADMM COc1cccc(C(=O)N[C@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)n1 ZINC001377872578 960869052 /nfs/dbraw/zinc/86/90/52/960869052.db2.gz MMQPKOWIVPIFOK-RKDXNWHRSA-N -1 1 320.353 0.211 20 0 DCADMM NC(=O)Cn1cc(C(=O)NCc2ccc([O-])c(Cl)c2)nn1 ZINC001363314532 960870918 /nfs/dbraw/zinc/87/09/18/960870918.db2.gz RNEZAWTWDSAUME-UHFFFAOYSA-N -1 1 309.713 0.052 20 0 DCADMM CC(C)(O)[C@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001363320126 960881470 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O=C(CCC(F)F)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001421112827 1003330065 /nfs/dbraw/zinc/33/00/65/1003330065.db2.gz CMPQOLZHEQVABY-QMMMGPOBSA-N -1 1 303.313 0.636 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)Cn1cccn1 ZINC001426614470 1003910856 /nfs/dbraw/zinc/91/08/56/1003910856.db2.gz FYLDOKUOWDYHCM-NSHDSACASA-N -1 1 317.349 0.261 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1(O)CCC1 ZINC001428596474 1004044905 /nfs/dbraw/zinc/04/49/05/1004044905.db2.gz FJSFBGADWAKIHE-SNVBAGLBSA-N -1 1 307.350 0.327 20 0 DCADMM COC[C@H](C)C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001427468529 1004406797 /nfs/dbraw/zinc/40/67/97/1004406797.db2.gz XCGUIQOQHZBVLN-RYUDHWBXSA-N -1 1 321.377 0.743 20 0 DCADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1cnns1 ZINC001427515473 1004438537 /nfs/dbraw/zinc/43/85/37/1004438537.db2.gz FRRXDCJUOWPBNX-MRVPVSSYSA-N -1 1 321.362 0.529 20 0 DCADMM Cc1ncc(C(=O)N(C)C[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])[nH]1 ZINC001427522735 1004443422 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CC[C@@H](C)CC(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001407841650 1004894859 /nfs/dbraw/zinc/89/48/59/1004894859.db2.gz QDQBJJKNDPTYBI-MNOVXSKESA-N -1 1 311.386 0.264 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)NCC(=O)NCC2CC2)c1 ZINC001414244560 1005263787 /nfs/dbraw/zinc/26/37/87/1005263787.db2.gz VCLKGAVWLARTDC-UHFFFAOYSA-N -1 1 314.363 0.205 20 0 DCADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CCc2cccnc21 ZINC001414323554 1005287796 /nfs/dbraw/zinc/28/77/96/1005287796.db2.gz SAFSZPFLEABXQG-JTQLQIEISA-N -1 1 308.363 0.969 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NCc2c(C)n[nH]c2C)[n-]n1 ZINC001414331866 1005289271 /nfs/dbraw/zinc/28/92/71/1005289271.db2.gz NHNLFBHTVQHLDD-UHFFFAOYSA-N -1 1 313.339 0.015 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NCc2c(C)n[nH]c2C)n[n-]1 ZINC001414331866 1005289277 /nfs/dbraw/zinc/28/92/77/1005289277.db2.gz NHNLFBHTVQHLDD-UHFFFAOYSA-N -1 1 313.339 0.015 20 0 DCADMM Cc1onc(N)c1S(=O)(=O)[N-]C1CC2(C1)CO[C@@H](C)C2 ZINC001414349107 1005294182 /nfs/dbraw/zinc/29/41/82/1005294182.db2.gz FQUZHZQWVFQZBE-SKSLGRHYSA-N -1 1 301.368 0.801 20 0 DCADMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)Nc1ccccn1 ZINC001414413855 1005315630 /nfs/dbraw/zinc/31/56/30/1005315630.db2.gz IFVNLAVJJPVZIX-UHFFFAOYSA-N -1 1 301.306 0.972 20 0 DCADMM NC(=O)C1CN(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC001414478890 1005338871 /nfs/dbraw/zinc/33/88/71/1005338871.db2.gz WFGVAZRSBGWLAQ-UHFFFAOYSA-N -1 1 301.306 0.527 20 0 DCADMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC[C@@H](CO)C1 ZINC001414713194 1005388165 /nfs/dbraw/zinc/38/81/65/1005388165.db2.gz OJSRCFBQPUEWHU-SNVBAGLBSA-N -1 1 322.365 0.169 20 0 DCADMM C[C@H](c1nncn1C)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001415124496 1005463549 /nfs/dbraw/zinc/46/35/49/1005463549.db2.gz NLGAVGGBCZNJLF-LLVKDONJSA-N -1 1 316.365 0.435 20 0 DCADMM CC[C@H](OC)C(=O)N(CC)CCNC(=O)c1ncccc1[O-] ZINC001415664194 1005588173 /nfs/dbraw/zinc/58/81/73/1005588173.db2.gz KDUFYIYSOQXQNR-LBPRGKRZSA-N -1 1 309.366 0.791 20 0 DCADMM Cc1nc[nH]c1C(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001416457979 1005701191 /nfs/dbraw/zinc/70/11/91/1005701191.db2.gz PRICSPBZGTVYRF-SECBINFHSA-N -1 1 317.349 0.615 20 0 DCADMM COC[C@H](C)CC(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001417271452 1005813919 /nfs/dbraw/zinc/81/39/19/1005813919.db2.gz GISJTQJTYRPWNO-LLVKDONJSA-N -1 1 321.377 0.743 20 0 DCADMM COCCC(=O)N1CC[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001417345074 1005823868 /nfs/dbraw/zinc/82/38/68/1005823868.db2.gz CKMFIOOVLNBHLH-INIZCTEOSA-N -1 1 321.377 0.792 20 0 DCADMM CCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ncccc2[O-])C1 ZINC001417428998 1005832254 /nfs/dbraw/zinc/83/22/54/1005832254.db2.gz OIUUEDIRKCJABA-HNNXBMFYSA-N -1 1 307.350 0.281 20 0 DCADMM COC(=O)[C@@H](CO)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001417604063 1005849639 /nfs/dbraw/zinc/84/96/39/1005849639.db2.gz YZRUESXNVGNCNC-SECBINFHSA-N -1 1 308.265 0.343 20 0 DCADMM CC(C)COC(=O)N1CCN(C(=O)CCCc2nn[n-]n2)CC1 ZINC001417629666 1005855442 /nfs/dbraw/zinc/85/54/42/1005855442.db2.gz QPWHWNSORHHJTI-UHFFFAOYSA-N -1 1 324.385 0.459 20 0 DCADMM 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ZINC000606117433 397677818 /nfs/dbraw/zinc/67/78/18/397677818.db2.gz NMBNFKHOARHUFW-UHFFFAOYSA-N -1 1 315.293 0.158 20 0 DCADMM COc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)nn1 ZINC000606530884 397683533 /nfs/dbraw/zinc/68/35/33/397683533.db2.gz FGWSGPRRLZXVBG-GFCCVEGCSA-N -1 1 311.305 0.518 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)c2cncc([O-])c2)C(=O)N1c1cnn(C)c1 ZINC000608484735 397734115 /nfs/dbraw/zinc/73/41/15/397734115.db2.gz SNVUFEVNSDIZKH-TVQRCGJNSA-N -1 1 315.333 0.445 20 0 DCADMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C(=O)N(C)C)o1 ZINC000609388882 397773233 /nfs/dbraw/zinc/77/32/33/397773233.db2.gz GVOCSAPTISBAGJ-UHFFFAOYSA-N -1 1 318.351 0.211 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOCC2(C)C)o1 ZINC000049377728 158010444 /nfs/dbraw/zinc/01/04/44/158010444.db2.gz ZVOSZVVAECXQNV-UHFFFAOYSA-N -1 1 302.352 0.439 20 0 DCADMM COCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc([O-])cc1 ZINC000049489200 158010517 /nfs/dbraw/zinc/01/05/17/158010517.db2.gz QOGWQIADVRGZLR-SNVBAGLBSA-N -1 1 301.364 0.707 20 0 DCADMM CCc1nc(S(=O)(=O)[C@@H](C)C(=O)NC2CCCCC2)n[n-]1 ZINC000086170666 158090723 /nfs/dbraw/zinc/09/07/23/158090723.db2.gz WEJMEHUJVVSNFR-VIFPVBQESA-N -1 1 314.411 0.978 20 0 DCADMM NC(=O)c1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000091858585 158110749 /nfs/dbraw/zinc/11/07/49/158110749.db2.gz XLJXNJARWGBNRJ-UHFFFAOYSA-N -1 1 309.303 0.613 20 0 DCADMM CN(C[C@H](O)C(F)(F)F)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119479721 158187562 /nfs/dbraw/zinc/18/75/62/158187562.db2.gz BGXGSEUIUABIBY-QMMMGPOBSA-N -1 1 318.255 0.669 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)CC[C@@H](C)O ZINC000125614889 158258179 /nfs/dbraw/zinc/25/81/79/158258179.db2.gz JPVLOQXHBCPYHD-SECBINFHSA-N -1 1 306.366 0.411 20 0 DCADMM COC[C@H](O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000130351433 158294868 /nfs/dbraw/zinc/29/48/68/158294868.db2.gz XOLDGVXHQVRTGC-SSDOTTSWSA-N -1 1 313.297 0.780 20 0 DCADMM C[C@H](CN(C)C)NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000168652007 158372735 /nfs/dbraw/zinc/37/27/35/158372735.db2.gz IQIZGNRYOJNRCD-LLVKDONJSA-N -1 1 314.407 0.932 20 0 DCADMM CCCC(=O)N1CCCC[C@@H]1C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176760515 158441250 /nfs/dbraw/zinc/44/12/50/158441250.db2.gz HJCGYYYIIYTBMK-LLVKDONJSA-N -1 1 323.397 0.328 20 0 DCADMM Cn1nnc(C[N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)n1 ZINC000328840887 159033902 /nfs/dbraw/zinc/03/39/02/159033902.db2.gz PEDZCNSWXHDLLH-UHFFFAOYSA-N -1 1 314.371 0.115 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000329268551 159077725 /nfs/dbraw/zinc/07/77/25/159077725.db2.gz GOPPGYAJEGGTMT-ZDUSSCGKSA-N -1 1 315.377 0.736 20 0 DCADMM C[C@@H](c1cccnc1)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000329267658 159077729 /nfs/dbraw/zinc/07/77/29/159077729.db2.gz GCNJEGNWYMMXEP-LBPRGKRZSA-N -1 1 302.382 0.382 20 0 DCADMM C[C@@H]1CN(C[C@@H]2CCCN2Cc2nc(=O)n(C)[nH]2)C[C@H](C)O1 ZINC000329297056 159080370 /nfs/dbraw/zinc/08/03/70/159080370.db2.gz TXDRBGQZFIDEGW-XQQFMLRXSA-N -1 1 309.414 0.182 20 0 DCADMM Cn1[n-]c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)nc1=O ZINC000329307674 159081273 /nfs/dbraw/zinc/08/12/73/159081273.db2.gz ZFESGEXHIRXTGV-UHFFFAOYSA-N -1 1 319.340 0.206 20 0 DCADMM CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cnn2c1OCCC2 ZINC000329742648 159116632 /nfs/dbraw/zinc/11/66/32/159116632.db2.gz WQNQBJLUMYKWSM-NSHDSACASA-N -1 1 314.411 0.428 20 0 DCADMM C[C@@H]1C[N@H+](CCN(C)C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H](C)O1 ZINC000329902919 159127713 /nfs/dbraw/zinc/12/77/13/159127713.db2.gz PSNWHDUCCWVNHO-AXFHLTTASA-N -1 1 312.370 0.197 20 0 DCADMM Cc1noc(C)c1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F ZINC000330465874 159178398 /nfs/dbraw/zinc/17/83/98/159178398.db2.gz QQUVCPQLEPGIGN-ZETCQYMHSA-N -1 1 302.274 0.883 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H]2CO)co1 ZINC000332737790 159211888 /nfs/dbraw/zinc/21/18/88/159211888.db2.gz XFPMYVQTCAZTSF-WPRPVWTQSA-N -1 1 302.352 0.031 20 0 DCADMM O=C([C@H]1CCCC(F)(F)C1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000367076966 159311563 /nfs/dbraw/zinc/31/15/63/159311563.db2.gz FDMYRUJZHOBCPX-IUCAKERBSA-N -1 1 301.297 0.925 20 0 DCADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCn2cncc2C1 ZINC000368199458 159381314 /nfs/dbraw/zinc/38/13/14/159381314.db2.gz GHGMPVKHBYDDKR-UHFFFAOYSA-N -1 1 300.347 0.871 20 0 DCADMM C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)C1 ZINC000408196526 160057641 /nfs/dbraw/zinc/05/76/41/160057641.db2.gz DAJDRDHGCOGYFV-MNOVXSKESA-N -1 1 322.365 0.740 20 0 DCADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000408302007 160080100 /nfs/dbraw/zinc/08/01/00/160080100.db2.gz DSFFMZDOJJJBPU-VIFPVBQESA-N -1 1 322.365 0.114 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cn1C ZINC000151414401 287033649 /nfs/dbraw/zinc/03/36/49/287033649.db2.gz IURBNUCLDVTVMG-UHFFFAOYSA-N -1 1 312.351 0.952 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CO)CC2)co1 ZINC000331634669 415161500 /nfs/dbraw/zinc/16/15/00/415161500.db2.gz LZRWERJBNYBNEU-JTQLQIEISA-N -1 1 316.379 0.422 20 0 DCADMM CC(C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000342438476 415175965 /nfs/dbraw/zinc/17/59/65/415175965.db2.gz XCMCJSHVJAJVHX-UHFFFAOYSA-N -1 1 310.372 0.884 20 0 DCADMM CC(C)(C)OC(=O)[C@](C)(O)C[N-]S(=O)(=O)Cc1ccon1 ZINC000342496656 415191785 /nfs/dbraw/zinc/19/17/85/415191785.db2.gz WDAJJNJDHYVRHC-GFCCVEGCSA-N -1 1 320.367 0.187 20 0 DCADMM O=C(NCc1ccc2ncccc2c1)c1cc(=O)n2[n-]cnc2n1 ZINC000352536805 415213914 /nfs/dbraw/zinc/21/39/14/415213914.db2.gz KRGFHZWXXKZZNX-UHFFFAOYSA-N -1 1 320.312 0.896 20 0 DCADMM Cc1ccc2c([O-])c(C(=O)NC[C@]3(O)CCO[C@@H]3C)cnc2n1 ZINC000332192011 415289524 /nfs/dbraw/zinc/28/95/24/415289524.db2.gz WZGGSXALTAFXMC-QLJPJBMISA-N -1 1 317.345 0.914 20 0 DCADMM Cc1ccc2c(n1)[n-]cc(C(=O)NC[C@]1(O)CCO[C@@H]1C)c2=O ZINC000332192011 415289532 /nfs/dbraw/zinc/28/95/32/415289532.db2.gz WZGGSXALTAFXMC-QLJPJBMISA-N -1 1 317.345 0.914 20 0 DCADMM Cc1cc(C(=O)Nc2nnn[n-]2)cc(S(=O)(=O)N(C)C)c1C ZINC000342854591 415317022 /nfs/dbraw/zinc/31/70/22/415317022.db2.gz BLSCODAMHYVVNC-UHFFFAOYSA-N -1 1 324.366 0.319 20 0 DCADMM Cc1cc(C(=O)Nc2nn[n-]n2)cc(S(=O)(=O)N(C)C)c1C ZINC000342854591 415317028 /nfs/dbraw/zinc/31/70/28/415317028.db2.gz BLSCODAMHYVVNC-UHFFFAOYSA-N -1 1 324.366 0.319 20 0 DCADMM Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nnn[n-]2)cc1C ZINC000342857817 415319813 /nfs/dbraw/zinc/31/98/13/415319813.db2.gz LSGOAWVZTSGEKO-UHFFFAOYSA-N -1 1 324.366 0.124 20 0 DCADMM Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nn[n-]n2)cc1C ZINC000342857817 415319819 /nfs/dbraw/zinc/31/98/19/415319819.db2.gz LSGOAWVZTSGEKO-UHFFFAOYSA-N -1 1 324.366 0.124 20 0 DCADMM COc1cc(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)ccc1C ZINC000352789902 415320306 /nfs/dbraw/zinc/32/03/06/415320306.db2.gz GOXJSZKURBLXBZ-UHFFFAOYSA-N -1 1 324.362 0.706 20 0 DCADMM COc1cc(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)ccc1C ZINC000352789902 415320311 /nfs/dbraw/zinc/32/03/11/415320311.db2.gz GOXJSZKURBLXBZ-UHFFFAOYSA-N -1 1 324.362 0.706 20 0 DCADMM CC(C)(C)C(=O)NCCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000332358848 415363088 /nfs/dbraw/zinc/36/30/88/415363088.db2.gz IWVUIROKDUCDHO-UHFFFAOYSA-N -1 1 308.386 0.638 20 0 DCADMM CC(C)(C)S(=O)(=O)CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000332383249 415372928 /nfs/dbraw/zinc/37/29/28/415372928.db2.gz GMCKEBPQBPPLHL-UHFFFAOYSA-N -1 1 315.399 0.299 20 0 DCADMM Cc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)c1ncn[n-]1 ZINC000086169614 415506643 /nfs/dbraw/zinc/50/66/43/415506643.db2.gz YCKRWNMEZLADDT-SNVBAGLBSA-N -1 1 308.363 0.592 20 0 DCADMM Cc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)c1nc[n-]n1 ZINC000086169614 415506647 /nfs/dbraw/zinc/50/66/47/415506647.db2.gz YCKRWNMEZLADDT-SNVBAGLBSA-N -1 1 308.363 0.592 20 0 DCADMM O=C(CS(=O)(=O)c1nc[n-]n1)NCc1cccc(Cl)c1 ZINC000086169816 415510297 /nfs/dbraw/zinc/51/02/97/415510297.db2.gz PGRRBLUOKBTKEU-UHFFFAOYSA-N -1 1 314.754 0.548 20 0 DCADMM C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000353454976 415551438 /nfs/dbraw/zinc/55/14/38/415551438.db2.gz WYSFJXQJHAEGDL-QMMMGPOBSA-N -1 1 321.337 0.268 20 0 DCADMM CCN(CC(=O)Nc1ccccc1OC)Cc1nc(=O)n(C)[n-]1 ZINC000353472197 415556215 /nfs/dbraw/zinc/55/62/15/415556215.db2.gz AUMBVCXOVKDZKQ-UHFFFAOYSA-N -1 1 319.365 0.578 20 0 DCADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000353481695 415564648 /nfs/dbraw/zinc/56/46/48/415564648.db2.gz RWAXNSITTJSADQ-SNVBAGLBSA-N -1 1 324.406 0.705 20 0 DCADMM C[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])[C@H](C)[C@H](C)O1 ZINC000353718873 415634110 /nfs/dbraw/zinc/63/41/10/415634110.db2.gz CREZEKDDTQBSTK-MXWKQRLJSA-N -1 1 307.350 0.541 20 0 DCADMM Cc1ccn2cc(CNC(=O)c3cc(=O)n4[n-]cnc4n3)nc2c1 ZINC000353756790 415648724 /nfs/dbraw/zinc/64/87/24/415648724.db2.gz VDMNDCKEKDCBQW-UHFFFAOYSA-N -1 1 323.316 0.304 20 0 DCADMM CC[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])C[C@H](C)O1 ZINC000343588795 415649343 /nfs/dbraw/zinc/64/93/43/415649343.db2.gz RXEVCWXSZRPBIY-WDEREUQCSA-N -1 1 307.350 0.543 20 0 DCADMM O=C(NCC1(OCCO)CCOCC1)c1c([O-])cccc1F ZINC000282064270 415577241 /nfs/dbraw/zinc/57/72/41/415577241.db2.gz DMSXQVNSIIHYDJ-UHFFFAOYSA-N -1 1 313.325 0.819 20 0 DCADMM COCc1csc(NC(=O)CNC(=O)c2ncccc2[O-])n1 ZINC000343392969 415587609 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C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833634994 605203615 /nfs/dbraw/zinc/20/36/15/605203615.db2.gz MWTGAQXSNZUSLL-GXSJLCMTSA-N -1 1 314.363 0.835 20 0 DCADMM C[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)CCN1CCC(=O)[O-] ZINC000833617728 605258565 /nfs/dbraw/zinc/25/85/65/605258565.db2.gz GQUKUWDHHMGMLY-CHWSQXEVSA-N -1 1 320.393 0.453 20 0 DCADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)CCN2CCCS2(=O)=O)O1 ZINC000833575753 605346559 /nfs/dbraw/zinc/34/65/59/605346559.db2.gz CNWIOVHCXLEQJF-NSHDSACASA-N -1 1 318.395 0.101 20 0 DCADMM CC1([C@H]2CCCN(CN3C[C@@H](C(=O)[O-])CC3=O)C2)OCCO1 ZINC000833563930 605350540 /nfs/dbraw/zinc/35/05/40/605350540.db2.gz JQKKZCHWULDFTF-RYUDHWBXSA-N -1 1 312.366 0.352 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC1(CS(C)(=O)=O)CC1 ZINC000833833963 605430833 /nfs/dbraw/zinc/43/08/33/605430833.db2.gz LMONMRKAZBFLQO-GHMZBOCLSA-N -1 1 304.412 0.789 20 0 DCADMM NC(=O)c1n[nH]c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[O-])cc21 ZINC000833985933 605618190 /nfs/dbraw/zinc/61/81/90/605618190.db2.gz BLINXFYBASGEFB-JTQLQIEISA-N -1 1 317.305 0.743 20 0 DCADMM COC(=O)[C@@H]1CCN(C[C@@H](C)CS(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC000833710776 605684015 /nfs/dbraw/zinc/68/40/15/605684015.db2.gz XYMFGBSUAJVGNJ-MXWKQRLJSA-N -1 1 321.395 0.005 20 0 DCADMM COCCN1CC[C@@H](NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C1 ZINC000828985931 605708361 /nfs/dbraw/zinc/70/83/61/605708361.db2.gz UGUWOXAZYSQRMI-GHMZBOCLSA-N -1 1 301.387 0.506 20 0 DCADMM O=C([O-])NC[C@H]1CC[N@@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000834226115 605807603 /nfs/dbraw/zinc/80/76/03/605807603.db2.gz VDGLOZDNHCQUJH-CYBMUJFWSA-N -1 1 307.350 0.824 20 0 DCADMM O=C([O-])NCCCCC(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000834234138 605899990 /nfs/dbraw/zinc/89/99/90/605899990.db2.gz JPRBHUSRHSRKFB-CYBMUJFWSA-N -1 1 313.398 0.605 20 0 DCADMM Cn1cc(C[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC000822674067 606138197 /nfs/dbraw/zinc/13/81/97/606138197.db2.gz KQVGTLMRQNQKHN-JTQLQIEISA-N -1 1 311.353 0.459 20 0 DCADMM Cn1cc(C[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC000822674067 606138198 /nfs/dbraw/zinc/13/81/98/606138198.db2.gz KQVGTLMRQNQKHN-JTQLQIEISA-N -1 1 311.353 0.459 20 0 DCADMM C[C@@H](O)C[C@H](C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820473854 606160733 /nfs/dbraw/zinc/16/07/33/606160733.db2.gz MWMFINYBYSNDFO-JGVFFNPUSA-N -1 1 308.346 0.129 20 0 DCADMM C[C@@H](O)C[C@H](C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820473854 606160734 /nfs/dbraw/zinc/16/07/34/606160734.db2.gz MWMFINYBYSNDFO-JGVFFNPUSA-N -1 1 308.346 0.129 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC000820379555 606163453 /nfs/dbraw/zinc/16/34/53/606163453.db2.gz CYPPGVKCHJELPU-HTQZYQBOSA-N -1 1 306.330 0.147 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000820379555 606163455 /nfs/dbraw/zinc/16/34/55/606163455.db2.gz CYPPGVKCHJELPU-HTQZYQBOSA-N -1 1 306.330 0.147 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCC[C@H]2CO)n1 ZINC000822614284 606165900 /nfs/dbraw/zinc/16/59/00/606165900.db2.gz LKGMOUYXSLFRKQ-WCBMZHEXSA-N -1 1 320.357 0.273 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCC[C@H]2CO)n1 ZINC000822614284 606165901 /nfs/dbraw/zinc/16/59/01/606165901.db2.gz LKGMOUYXSLFRKQ-WCBMZHEXSA-N -1 1 320.357 0.273 20 0 DCADMM O=C(CCn1cncn1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822986617 606293348 /nfs/dbraw/zinc/29/33/48/606293348.db2.gz IXAULEDYEXMDPG-UHFFFAOYSA-N -1 1 300.282 0.193 20 0 DCADMM CN(CC(F)(F)F)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000821595428 606367394 /nfs/dbraw/zinc/36/73/94/606367394.db2.gz XARGOJZTWBBOQR-UHFFFAOYSA-N -1 1 316.243 0.049 20 0 DCADMM NS(=O)(=O)CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822895426 606459466 /nfs/dbraw/zinc/45/94/66/606459466.db2.gz RPBLJJXEBPABNT-UHFFFAOYSA-N -1 1 317.762 0.006 20 0 DCADMM NS(=O)(=O)CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822895426 606459468 /nfs/dbraw/zinc/45/94/68/606459468.db2.gz RPBLJJXEBPABNT-UHFFFAOYSA-N -1 1 317.762 0.006 20 0 DCADMM NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822864471 606541619 /nfs/dbraw/zinc/54/16/19/606541619.db2.gz BBMMDBXAONQUJC-QMMMGPOBSA-N -1 1 320.378 0.798 20 0 DCADMM NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822864471 606541621 /nfs/dbraw/zinc/54/16/21/606541621.db2.gz BBMMDBXAONQUJC-QMMMGPOBSA-N -1 1 320.378 0.798 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC(n2cncn2)C1 ZINC000823484182 606548200 /nfs/dbraw/zinc/54/82/00/606548200.db2.gz SWZJHYVNKNRNDQ-UHFFFAOYSA-N -1 1 302.323 0.217 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC(n2cncn2)C1 ZINC000823484182 606548201 /nfs/dbraw/zinc/54/82/01/606548201.db2.gz SWZJHYVNKNRNDQ-UHFFFAOYSA-N -1 1 302.323 0.217 20 0 DCADMM CS(=O)(=O)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000821920436 606724780 /nfs/dbraw/zinc/72/47/80/606724780.db2.gz RXAXOYQKDKLOPP-UHFFFAOYSA-N -1 1 308.367 0.275 20 0 DCADMM CS(=O)(=O)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000821920436 606724782 /nfs/dbraw/zinc/72/47/82/606724782.db2.gz RXAXOYQKDKLOPP-UHFFFAOYSA-N -1 1 308.367 0.275 20 0 DCADMM CCc1nnc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)n1C ZINC000821518436 606775447 /nfs/dbraw/zinc/77/54/47/606775447.db2.gz UCTJYGBGNCIEDD-UHFFFAOYSA-N -1 1 314.309 0.310 20 0 DCADMM CCc1nnc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)n1C ZINC000821518436 606775449 /nfs/dbraw/zinc/77/54/49/606775449.db2.gz UCTJYGBGNCIEDD-UHFFFAOYSA-N -1 1 314.309 0.310 20 0 DCADMM CC[C@@H]1CCC[C@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820980142 606807348 /nfs/dbraw/zinc/80/73/48/606807348.db2.gz KSGYCPHYPUVSCU-RKDXNWHRSA-N -1 1 319.369 0.255 20 0 DCADMM CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C)C1 ZINC000819796352 606932820 /nfs/dbraw/zinc/93/28/20/606932820.db2.gz GAACFFSEDWIZDB-QMMMGPOBSA-N -1 1 320.378 0.621 20 0 DCADMM CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C)C1 ZINC000819796352 606932822 /nfs/dbraw/zinc/93/28/22/606932822.db2.gz GAACFFSEDWIZDB-QMMMGPOBSA-N -1 1 320.378 0.621 20 0 DCADMM C[C@H](C[C@@H]1CCOC1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820235928 607136903 /nfs/dbraw/zinc/13/69/03/607136903.db2.gz VGVIVLBEOWAGBJ-BDAKNGLRSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@H](C[C@@H]1CCOC1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820235928 607136904 /nfs/dbraw/zinc/13/69/04/607136904.db2.gz VGVIVLBEOWAGBJ-BDAKNGLRSA-N -1 1 320.357 0.537 20 0 DCADMM COc1cc(C)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821713456 607209047 /nfs/dbraw/zinc/20/90/47/607209047.db2.gz YUTBBCHGAMIEGD-UHFFFAOYSA-N -1 1 314.309 0.414 20 0 DCADMM CC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC000820913337 607218853 /nfs/dbraw/zinc/21/88/53/607218853.db2.gz FTUKXFFAJKUNLE-SNVBAGLBSA-N -1 1 313.325 0.121 20 0 DCADMM O=C(NCCSCCCO)c1ccc(-c2nnn[n-]2)nc1 ZINC000823219941 607219390 /nfs/dbraw/zinc/21/93/90/607219390.db2.gz UFYLYNJTRXJINK-UHFFFAOYSA-N -1 1 308.367 0.107 20 0 DCADMM O=C(NCCSCCCO)c1ccc(-c2nn[n-]n2)nc1 ZINC000823219941 607219391 /nfs/dbraw/zinc/21/93/91/607219391.db2.gz UFYLYNJTRXJINK-UHFFFAOYSA-N -1 1 308.367 0.107 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC2(CCCC2)C1 ZINC000823122422 607220292 /nfs/dbraw/zinc/22/02/92/607220292.db2.gz AROUGBCNHVKXPM-UHFFFAOYSA-N -1 1 302.342 0.251 20 0 DCADMM CCS[C@@H]1CCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821456080 607221556 /nfs/dbraw/zinc/22/15/56/607221556.db2.gz NBODDMMJYKNKER-RKDXNWHRSA-N -1 1 322.398 0.249 20 0 DCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(O)c1 ZINC000820333393 607231285 /nfs/dbraw/zinc/23/12/85/607231285.db2.gz ANZMGUFPDIEBNL-QMMMGPOBSA-N -1 1 314.309 0.041 20 0 DCADMM Cc1cccc(C)c1OC[C@@H](O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826296936 607869363 /nfs/dbraw/zinc/86/93/63/607869363.db2.gz PBYPAXYKLMYPLM-NSHDSACASA-N -1 1 315.337 0.515 20 0 DCADMM Nc1ncncc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826396695 607928803 /nfs/dbraw/zinc/92/88/03/607928803.db2.gz IBZCMFHJQRRDMX-UHFFFAOYSA-N -1 1 302.323 0.230 20 0 DCADMM Nc1ncncc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826396695 607928804 /nfs/dbraw/zinc/92/88/04/607928804.db2.gz IBZCMFHJQRRDMX-UHFFFAOYSA-N -1 1 302.323 0.230 20 0 DCADMM Cn1cc([C@H](CO)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000826358994 607935242 /nfs/dbraw/zinc/93/52/42/607935242.db2.gz QWWHPLNEJHZRQW-VIFPVBQESA-N -1 1 320.744 0.794 20 0 DCADMM Cn1cc([C@H](CO)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000826358994 607935243 /nfs/dbraw/zinc/93/52/43/607935243.db2.gz QWWHPLNEJHZRQW-VIFPVBQESA-N -1 1 320.744 0.794 20 0 DCADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC000826503017 607989500 /nfs/dbraw/zinc/98/95/00/607989500.db2.gz OMQMPLYQPZPMDF-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC000826503017 607989501 /nfs/dbraw/zinc/98/95/01/607989501.db2.gz OMQMPLYQPZPMDF-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM C[C@]1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO[C@@H]1C1CC1 ZINC000824833076 608140355 /nfs/dbraw/zinc/14/03/55/608140355.db2.gz XADCYOCCQZBEHG-DOMZBBRYSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@]1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO[C@@H]1C1CC1 ZINC000824833076 608140356 /nfs/dbraw/zinc/14/03/56/608140356.db2.gz XADCYOCCQZBEHG-DOMZBBRYSA-N -1 1 314.349 0.949 20 0 DCADMM NS(=O)(=O)CCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826394189 608178058 /nfs/dbraw/zinc/17/80/58/608178058.db2.gz ANCBNNSWELTJAP-UHFFFAOYSA-N -1 1 323.791 0.067 20 0 DCADMM NS(=O)(=O)CCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826394189 608178060 /nfs/dbraw/zinc/17/80/60/608178060.db2.gz ANCBNNSWELTJAP-UHFFFAOYSA-N -1 1 323.791 0.067 20 0 DCADMM O=C(NC[C@H](O)c1ccccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000826433941 608197961 /nfs/dbraw/zinc/19/79/61/608197961.db2.gz WIYVHAKEMAISIE-VIFPVBQESA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@H](O)c1ccccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000826433941 608197964 /nfs/dbraw/zinc/19/79/64/608197964.db2.gz WIYVHAKEMAISIE-VIFPVBQESA-N -1 1 316.346 0.787 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826514545 608198682 /nfs/dbraw/zinc/19/86/82/608198682.db2.gz VNQTWWLTMBVZOC-NOZJJQNGSA-N -1 1 303.326 0.407 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826514545 608198683 /nfs/dbraw/zinc/19/86/83/608198683.db2.gz VNQTWWLTMBVZOC-NOZJJQNGSA-N -1 1 303.326 0.407 20 0 DCADMM COC[C@@H](O)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826152013 608229980 /nfs/dbraw/zinc/22/99/80/608229980.db2.gz OGCXRDRFBLIBHV-YFKPBYRVSA-N -1 1 304.763 0.786 20 0 DCADMM COC[C@@H](O)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826152013 608229982 /nfs/dbraw/zinc/22/99/82/608229982.db2.gz OGCXRDRFBLIBHV-YFKPBYRVSA-N -1 1 304.763 0.786 20 0 DCADMM O=C1CC[C@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CCN12 ZINC000826479835 608237178 /nfs/dbraw/zinc/23/71/78/608237178.db2.gz JOVCEACUNRYXQL-QMMMGPOBSA-N -1 1 319.756 0.726 20 0 DCADMM O=C1CC[C@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CCN12 ZINC000826479835 608237179 /nfs/dbraw/zinc/23/71/79/608237179.db2.gz JOVCEACUNRYXQL-QMMMGPOBSA-N -1 1 319.756 0.726 20 0 DCADMM CCc1nn(C)c(OC)c1CNc1nccnc1-c1nnn[n-]1 ZINC000825759630 608240792 /nfs/dbraw/zinc/24/07/92/608240792.db2.gz LIANLLQGFVOUAQ-UHFFFAOYSA-N -1 1 315.341 0.573 20 0 DCADMM CCc1nn(C)c(OC)c1CNc1nccnc1-c1nn[n-]n1 ZINC000825759630 608240794 /nfs/dbraw/zinc/24/07/94/608240794.db2.gz LIANLLQGFVOUAQ-UHFFFAOYSA-N -1 1 315.341 0.573 20 0 DCADMM CNC(=O)c1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826073422 608395608 /nfs/dbraw/zinc/39/56/08/608395608.db2.gz RFTUHVMOAYORKH-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM CNC(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826073422 608395610 /nfs/dbraw/zinc/39/56/10/608395610.db2.gz RFTUHVMOAYORKH-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000823973988 608412570 /nfs/dbraw/zinc/41/25/70/608412570.db2.gz NLOHDLFSHOVOQE-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000823973988 608412572 /nfs/dbraw/zinc/41/25/72/608412572.db2.gz NLOHDLFSHOVOQE-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM c1ccc(-n2nnnc2CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826519962 608415940 /nfs/dbraw/zinc/41/59/40/608415940.db2.gz VXIOXZMWKUHHNV-UHFFFAOYSA-N -1 1 321.308 0.245 20 0 DCADMM c1ccc(-n2nnnc2CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826519962 608415942 /nfs/dbraw/zinc/41/59/42/608415942.db2.gz VXIOXZMWKUHHNV-UHFFFAOYSA-N -1 1 321.308 0.245 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1=O ZINC000824899804 608425942 /nfs/dbraw/zinc/42/59/42/608425942.db2.gz OQUVZHNBLJVBPR-NQMVMOMDSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC000824899804 608425943 /nfs/dbraw/zinc/42/59/43/608425943.db2.gz OQUVZHNBLJVBPR-NQMVMOMDSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H](C(F)(F)F)O1 ZINC000824994548 608427239 /nfs/dbraw/zinc/42/72/39/608427239.db2.gz VISKFFHMYLYJMG-HTRCEHHLSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H](C(F)(F)F)O1 ZINC000824994548 608427241 /nfs/dbraw/zinc/42/72/41/608427241.db2.gz VISKFFHMYLYJMG-HTRCEHHLSA-N -1 1 315.259 0.813 20 0 DCADMM O[C@]12CCCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826506182 608433122 /nfs/dbraw/zinc/43/31/22/608433122.db2.gz OGFKJCXQJMATNU-HZMBPMFUSA-N -1 1 301.354 0.788 20 0 DCADMM O[C@]12CCCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826506182 608433123 /nfs/dbraw/zinc/43/31/23/608433123.db2.gz OGFKJCXQJMATNU-HZMBPMFUSA-N -1 1 301.354 0.788 20 0 DCADMM CO[C@@H]1CCC[C@H]1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826145891 608493992 /nfs/dbraw/zinc/49/39/92/608493992.db2.gz NLDPUXCKUHFEEL-WCBMZHEXSA-N -1 1 320.357 0.537 20 0 DCADMM CO[C@@H]1CCC[C@H]1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826145891 608493993 /nfs/dbraw/zinc/49/39/93/608493993.db2.gz NLDPUXCKUHFEEL-WCBMZHEXSA-N -1 1 320.357 0.537 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1CC(=O)N(C(C)C)C1 ZINC000826280574 608544003 /nfs/dbraw/zinc/54/40/03/608544003.db2.gz HOTVPBACUFRVPV-JTQLQIEISA-N -1 1 301.354 0.991 20 0 DCADMM O=C(OCCC1OCCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826463303 609239170 /nfs/dbraw/zinc/23/91/70/609239170.db2.gz ZVCBNHFOCZYFHC-UHFFFAOYSA-N -1 1 305.294 0.572 20 0 DCADMM O=C(OCCC1OCCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826463303 609239171 /nfs/dbraw/zinc/23/91/71/609239171.db2.gz ZVCBNHFOCZYFHC-UHFFFAOYSA-N -1 1 305.294 0.572 20 0 DCADMM Cc1onc(CC(=O)N[C@H](C)[C@@H]2CCCOC2)c1-c1nnn[n-]1 ZINC000826345505 609264413 /nfs/dbraw/zinc/26/44/13/609264413.db2.gz MRNJYBJSOABVIF-PSASIEDQSA-N -1 1 320.353 0.637 20 0 DCADMM Cc1onc(CC(=O)N[C@H](C)[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000826345505 609264414 /nfs/dbraw/zinc/26/44/14/609264414.db2.gz MRNJYBJSOABVIF-PSASIEDQSA-N -1 1 320.353 0.637 20 0 DCADMM COC(=O)C1(CNc2cccc(-c3nnn[n-]3)n2)CCOCC1 ZINC000826123747 609387656 /nfs/dbraw/zinc/38/76/56/609387656.db2.gz IPNUEOHMFVQOHL-UHFFFAOYSA-N -1 1 318.337 0.643 20 0 DCADMM COC(=O)C1(CNc2cccc(-c3nn[n-]n3)n2)CCOCC1 ZINC000826123747 609387658 /nfs/dbraw/zinc/38/76/58/609387658.db2.gz IPNUEOHMFVQOHL-UHFFFAOYSA-N -1 1 318.337 0.643 20 0 DCADMM CCCCN(CCCO)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825281847 609470245 /nfs/dbraw/zinc/47/02/45/609470245.db2.gz KMLWWZIZGQBLPM-UHFFFAOYSA-N -1 1 322.369 0.717 20 0 DCADMM CCCCN(CCCO)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825281847 609470246 /nfs/dbraw/zinc/47/02/46/609470246.db2.gz KMLWWZIZGQBLPM-UHFFFAOYSA-N -1 1 322.369 0.717 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCO[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826346503 609470658 /nfs/dbraw/zinc/47/06/58/609470658.db2.gz OANIEARVYSINPS-APPZFPTMSA-N -1 1 306.326 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826346503 609470660 /nfs/dbraw/zinc/47/06/60/609470660.db2.gz OANIEARVYSINPS-APPZFPTMSA-N -1 1 306.326 0.389 20 0 DCADMM O=S(=O)([N-]C[C@H](O)[C@H]1CCCO1)c1ccc(F)nc1F ZINC000867558390 667467367 /nfs/dbraw/zinc/46/73/67/667467367.db2.gz YIMKTMHCGUKXRE-JGVFFNPUSA-N -1 1 308.306 0.178 20 0 DCADMM O=C(NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccon1 ZINC000978629137 660572427 /nfs/dbraw/zinc/57/24/27/660572427.db2.gz RHXPJUNTAVBTDF-AOOOYVTPSA-N -1 1 316.317 0.714 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)C2CCC2)CCO1 ZINC000979147679 660673163 /nfs/dbraw/zinc/67/31/63/660673163.db2.gz MGWQCBQMGUXYMV-MWLCHTKSSA-N -1 1 309.370 0.016 20 0 DCADMM COCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000979601269 660786418 /nfs/dbraw/zinc/78/64/18/660786418.db2.gz CMSFSNRFQJZMDP-QJPTWQEYSA-N -1 1 319.361 0.400 20 0 DCADMM Cn1cnnc1CN1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027843615 660826836 /nfs/dbraw/zinc/82/68/36/660826836.db2.gz CPFLTRMCAAUXHB-LLVKDONJSA-N -1 1 316.365 0.310 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)CC(C)(C)C)CC2)nc1=O ZINC000980713039 660990284 /nfs/dbraw/zinc/99/02/84/660990284.db2.gz LNJNGTZMWZLGSP-UHFFFAOYSA-N -1 1 309.414 0.579 20 0 DCADMM Cc1[nH]nc(C(=O)N2CCCN(CCn3cccn3)CC2)c1[O-] ZINC000980978884 661055622 /nfs/dbraw/zinc/05/56/22/661055622.db2.gz DSPWQTOIWYLOJZ-UHFFFAOYSA-N -1 1 318.381 0.468 20 0 DCADMM C[C@@H](C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1)C(C)(C)C ZINC000981457392 661156283 /nfs/dbraw/zinc/15/62/83/661156283.db2.gz MVZIGSOIQADPPV-LBPRGKRZSA-N -1 1 323.441 0.825 20 0 DCADMM Cc1cc(C(=O)[N-]NC(=O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000054126622 661275454 /nfs/dbraw/zinc/27/54/54/661275454.db2.gz UBLBGJABMUPMGT-UHFFFAOYSA-N -1 1 319.277 0.466 20 0 DCADMM C[C@]1(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)CCCOC1 ZINC000998477799 665464404 /nfs/dbraw/zinc/46/44/04/665464404.db2.gz CBVSKJMLSDBHLP-INIZCTEOSA-N -1 1 319.361 0.545 20 0 DCADMM Cc1ccc(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)o1 ZINC000998489399 665466867 /nfs/dbraw/zinc/46/68/67/665466867.db2.gz SAWVXQLEJWHJBP-JTQLQIEISA-N -1 1 305.338 0.806 20 0 DCADMM Cn1cccc1C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998564526 665480830 /nfs/dbraw/zinc/48/08/30/665480830.db2.gz UIOXONJCLDBDEB-SNVBAGLBSA-N -1 1 304.354 0.243 20 0 DCADMM O=C(C[C@H]1CCCO1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001010433019 657472428 /nfs/dbraw/zinc/47/24/28/657472428.db2.gz NBSLKCMHNYVOCC-GFCCVEGCSA-N -1 1 319.361 0.641 20 0 DCADMM C[C@H](C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC000998614611 665490496 /nfs/dbraw/zinc/49/04/96/665490496.db2.gz XITALULYQYHKBV-MNOVXSKESA-N -1 1 319.369 0.049 20 0 DCADMM C[C@@H](C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC000998614613 665490607 /nfs/dbraw/zinc/49/06/07/665490607.db2.gz XITALULYQYHKBV-QWRGUYRKSA-N -1 1 319.369 0.049 20 0 DCADMM CC(C)n1cc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000970460687 657541072 /nfs/dbraw/zinc/54/10/72/657541072.db2.gz BXEAQWHLYZIFJF-LLVKDONJSA-N -1 1 319.369 0.292 20 0 DCADMM C/C(=C/C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC000998642114 665495368 /nfs/dbraw/zinc/49/53/68/665495368.db2.gz BXLXORJWVSJDTG-UMAGTOLTSA-N -1 1 305.382 0.947 20 0 DCADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1)[C@@H]1CC12CC2 ZINC001021393316 657725153 /nfs/dbraw/zinc/72/51/53/657725153.db2.gz ADRDZBCMNCJJNE-YATPEIPISA-N -1 1 317.393 0.922 20 0 DCADMM CC(=O)N1CCC[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000949584833 657882781 /nfs/dbraw/zinc/88/27/81/657882781.db2.gz PYZPAEWRJFMESQ-NSHDSACASA-N -1 1 304.350 0.800 20 0 DCADMM Cc1noc(CN2CC([C@@H](C)NC(=O)c3ncccc3[O-])C2)n1 ZINC000969546756 657962423 /nfs/dbraw/zinc/96/24/23/657962423.db2.gz QZWDEXJUTUACLE-SECBINFHSA-N -1 1 317.349 0.729 20 0 DCADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1O ZINC000866858120 658111848 /nfs/dbraw/zinc/11/18/48/658111848.db2.gz AEKIBOUXLBNSQY-MNOVXSKESA-N -1 1 312.457 0.880 20 0 DCADMM CCc1nocc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000969852333 658208260 /nfs/dbraw/zinc/20/82/60/658208260.db2.gz ATTYOJXBYZWZRH-MRVPVSSYSA-N -1 1 306.326 0.065 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000972110242 658310780 /nfs/dbraw/zinc/31/07/80/658310780.db2.gz UHZRQFVFMMTVGT-MLGOLLRUSA-N -1 1 319.409 0.497 20 0 DCADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccoc3)C(C)(C)C2)nc1=O ZINC000972808786 658436325 /nfs/dbraw/zinc/43/63/25/658436325.db2.gz WGNIHYCKDYJRDK-LLVKDONJSA-N -1 1 319.365 0.342 20 0 DCADMM Cn1c(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n[n-]c1=S ZINC000067051259 658480489 /nfs/dbraw/zinc/48/04/89/658480489.db2.gz SBCUXKFSGKPZGV-MRVPVSSYSA-N -1 1 309.395 0.147 20 0 DCADMM Cn1[n-]c(CN2CCCC[C@H]2CNC(=O)c2ccoc2)nc1=O ZINC001024331715 658569545 /nfs/dbraw/zinc/56/95/45/658569545.db2.gz OOXMCLABZJNNHF-LBPRGKRZSA-N -1 1 319.365 0.486 20 0 DCADMM CSCC(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001021020385 658698546 /nfs/dbraw/zinc/69/85/46/658698546.db2.gz JACOJGZUAXURFR-WDEREUQCSA-N -1 1 321.402 0.823 20 0 DCADMM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1nnc[nH]1 ZINC000176744939 658715890 /nfs/dbraw/zinc/71/58/90/658715890.db2.gz ZWRVFDHFQZMSRJ-LURJTMIESA-N -1 1 316.346 0.821 20 0 DCADMM O=C(c1ncccc1F)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970332078 658868133 /nfs/dbraw/zinc/86/81/33/658868133.db2.gz BYARVBXWRZLOKD-MRVPVSSYSA-N -1 1 306.301 0.049 20 0 DCADMM CCO[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973063806 659001603 /nfs/dbraw/zinc/00/16/03/659001603.db2.gz ASMZDJMLOQUOTI-PRULPYPASA-N -1 1 319.361 0.589 20 0 DCADMM C[C@H]1CS(=O)(=O)CCN1CCC[N-]C(=O)C(F)(F)F ZINC000180667501 659054272 /nfs/dbraw/zinc/05/42/72/659054272.db2.gz PSXXSVWTPVGUAY-QMMMGPOBSA-N -1 1 302.318 0.174 20 0 DCADMM O=C(N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)C1=COCCC1 ZINC000973087879 659060080 /nfs/dbraw/zinc/06/00/80/659060080.db2.gz HQGDOGXAHGFAPO-HAQNSBGRSA-N -1 1 317.345 0.859 20 0 DCADMM Cc1c[nH]nc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974057940 659172867 /nfs/dbraw/zinc/17/28/67/659172867.db2.gz UOVUYNQRUROZIW-AOOOYVTPSA-N -1 1 315.333 0.510 20 0 DCADMM O=C(N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)c1cnco1 ZINC000973197323 659173755 /nfs/dbraw/zinc/17/37/55/659173755.db2.gz CTTFJKRMWJXLDT-KYZUINATSA-N -1 1 302.290 0.466 20 0 DCADMM C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)O1 ZINC000974056242 659175890 /nfs/dbraw/zinc/17/58/90/659175890.db2.gz GOFJUGZPEIEHHN-HNCHTBHHSA-N -1 1 319.361 0.732 20 0 DCADMM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21)[C@@H]1CCCO1 ZINC000976136340 659202515 /nfs/dbraw/zinc/20/25/15/659202515.db2.gz SYKKNEPSUVLLPF-JULQROHOSA-N -1 1 317.345 0.153 20 0 DCADMM CCO[C@@H]1C[C@@H]1C(=O)OCCc1c(C)nc2[n-]cnn2c1=O ZINC000185320021 659247092 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C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CC[C@@H](C)O1 ZINC001076247680 695008764 /nfs/dbraw/zinc/00/87/64/695008764.db2.gz ZGHPTEAYWGKTKC-DMDPSCGWSA-N -1 1 321.377 0.979 20 0 DCADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCCCCS(N)(=O)=O ZINC001570836659 1162628874 /nfs/dbraw/zinc/62/88/74/1162628874.db2.gz OUHLTCDGADOPSJ-UHFFFAOYSA-N -1 1 324.399 0.225 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ccnc(F)c1)NCc1n[nH]c(=O)[n-]1 ZINC001571380014 1162723078 /nfs/dbraw/zinc/72/30/78/1162723078.db2.gz HGHRFURKHQXCRP-QMMMGPOBSA-N -1 1 308.317 0.295 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1occ2c1CCOC2 ZINC001691408699 1157664736 /nfs/dbraw/zinc/66/47/36/1157664736.db2.gz HOOHOGBQWRZASZ-UHFFFAOYSA-N -1 1 321.337 0.038 20 0 DCADMM O=C(NCc1nc([C@H]2CCOC2)n[nH]1)C(=O)c1ccc([O-])cc1 ZINC001648918974 1157710199 /nfs/dbraw/zinc/71/01/99/1157710199.db2.gz KROQYPYFYRFCFB-JTQLQIEISA-N -1 1 316.317 0.513 20 0 DCADMM O=C(c1ncccc1[O-])N(CCO)CCNCc1cscn1 ZINC001754880623 1157880626 /nfs/dbraw/zinc/88/06/26/1157880626.db2.gz 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1158650002 /nfs/dbraw/zinc/65/00/02/1158650002.db2.gz VAIJXZUPFCUOEM-AOOOYVTPSA-N -1 1 311.363 0.783 20 0 DCADMM C[C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082583933 1158753469 /nfs/dbraw/zinc/75/34/69/1158753469.db2.gz AXVADSWTWDVTRP-IWSPIJDZSA-N -1 1 315.324 0.492 20 0 DCADMM COCCn1c(-c2nnn[n-]2)nnc1N(C)CC1CCCC1 ZINC001649144214 1158793595 /nfs/dbraw/zinc/79/35/95/1158793595.db2.gz FRTNQMDKQZWXEV-UHFFFAOYSA-N -1 1 306.374 0.731 20 0 DCADMM COCCn1c(-c2nn[n-]n2)nnc1N(C)CC1CCCC1 ZINC001649144214 1158793602 /nfs/dbraw/zinc/79/36/02/1158793602.db2.gz FRTNQMDKQZWXEV-UHFFFAOYSA-N -1 1 306.374 0.731 20 0 DCADMM O=C([N-]CCNC(=O)c1ccn[nH]1)C(F)(F)Br ZINC001146848807 1158829720 /nfs/dbraw/zinc/82/97/20/1158829720.db2.gz ZBCFPARZVNVHQI-UHFFFAOYSA-N -1 1 311.086 0.243 20 0 DCADMM CC(=O)N[C@H](C)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346127838 1158863887 /nfs/dbraw/zinc/86/38/87/1158863887.db2.gz ZBPUUBXFCHLZSF-MRVPVSSYSA-N -1 1 304.310 0.242 20 0 DCADMM CN1CCO[C@@H](C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)C1 ZINC000346826414 1158864637 /nfs/dbraw/zinc/86/46/37/1158864637.db2.gz RAHOHIODFHONMK-GFCCVEGCSA-N -1 1 318.337 0.048 20 0 DCADMM CC(C)N(CCCNC(=O)c1cccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001691699415 1158903955 /nfs/dbraw/zinc/90/39/55/1158903955.db2.gz XXKBJAVHAGPBCS-UHFFFAOYSA-N -1 1 318.381 0.936 20 0 DCADMM CCOCCS(=O)(=O)[N-]Cc1nc(Cc2ccon2)no1 ZINC001320208341 1159160007 /nfs/dbraw/zinc/16/00/07/1159160007.db2.gz CAAQYMPAUQUOHM-UHFFFAOYSA-N -1 1 316.339 0.104 20 0 DCADMM CC(C)[C@@H](O)C(=O)N[C@H](C)CCCNC(=O)c1ncccc1[O-] ZINC001572102772 1163026556 /nfs/dbraw/zinc/02/65/56/1163026556.db2.gz RFRFCUBWZZWLJM-BXUZGUMPSA-N -1 1 323.393 0.819 20 0 DCADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnn(C[C@@H](O)CO)c1 ZINC001446466477 1159427733 /nfs/dbraw/zinc/42/77/33/1159427733.db2.gz FNPIRVGWLQWVJS-SNVBAGLBSA-N -1 1 311.725 0.848 20 0 DCADMM Cc1[nH]c(=O)ccc1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001455746310 1159760992 /nfs/dbraw/zinc/76/09/92/1159760992.db2.gz 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310.310 0.170 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[C@@H](c2[nH]ncc2C(=O)[O-])C1 ZINC001573931173 1163591205 /nfs/dbraw/zinc/59/12/05/1163591205.db2.gz SVCSXMUDEYAIEX-KXUCPTDWSA-N -1 1 321.333 0.623 20 0 DCADMM CC(C)C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573950487 1163598738 /nfs/dbraw/zinc/59/87/38/1163598738.db2.gz QWYLVQPQMBTBAF-MWLCHTKSSA-N -1 1 316.369 0.572 20 0 DCADMM CC(C)C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573950487 1163598742 /nfs/dbraw/zinc/59/87/42/1163598742.db2.gz QWYLVQPQMBTBAF-MWLCHTKSSA-N -1 1 316.369 0.572 20 0 DCADMM COC1(C[C@@H](NS(=O)(=O)c2ncc[nH]2)C(=O)[O-])CCC1 ZINC001573955027 1163599920 /nfs/dbraw/zinc/59/99/20/1163599920.db2.gz UQGXLXZZNOVKNU-MRVPVSSYSA-N -1 1 303.340 0.100 20 0 DCADMM CC(C)C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573970184 1163614114 /nfs/dbraw/zinc/61/41/14/1163614114.db2.gz WYEAXFZIBQQBPT-AOOOYVTPSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573970184 1163614116 /nfs/dbraw/zinc/61/41/16/1163614116.db2.gz WYEAXFZIBQQBPT-AOOOYVTPSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574204010 1163662148 /nfs/dbraw/zinc/66/21/48/1163662148.db2.gz DXJVXTVRPPYIAQ-UHFFFAOYSA-N -1 1 316.329 0.006 20 0 DCADMM CC(C)OC(=O)CCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001574297527 1163687031 /nfs/dbraw/zinc/68/70/31/1163687031.db2.gz YBCATUMPMFEDJT-UHFFFAOYSA-N -1 1 319.325 0.725 20 0 DCADMM CC(C)OC(=O)CCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001574297527 1163687036 /nfs/dbraw/zinc/68/70/36/1163687036.db2.gz YBCATUMPMFEDJT-UHFFFAOYSA-N -1 1 319.325 0.725 20 0 DCADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cccc3n[nH]nc32)C1 ZINC001574299953 1163688954 /nfs/dbraw/zinc/68/89/54/1163688954.db2.gz YGQNWLRHQWGHOU-SECBINFHSA-N -1 1 303.322 0.693 20 0 DCADMM O=C([O-])CN1CCCN(C(=O)c2nnc(-c3ccco3)o2)CC1 ZINC001574371999 1163707666 /nfs/dbraw/zinc/70/76/66/1163707666.db2.gz MBVJEEAIUCXSFL-UHFFFAOYSA-N -1 1 320.305 0.562 20 0 DCADMM O=C([O-])N1C[C@@H](CO)[C@@H](Nc2nc(Cl)nc3[nH]cnc32)C1 ZINC001574377614 1163711109 /nfs/dbraw/zinc/71/11/09/1163711109.db2.gz VJKYGRJBQKKBFH-WDSKDSINSA-N -1 1 312.717 0.389 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@H]1CCN(C(=O)c2cc(=O)[nH]cn2)C1 ZINC001574414856 1163718034 /nfs/dbraw/zinc/71/80/34/1163718034.db2.gz GLFCSWFJLFFGJF-ZETCQYMHSA-N -1 1 303.278 0.233 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@H]1CCN(C(=O)CCc2ccncn2)C1 ZINC001574414931 1163718113 /nfs/dbraw/zinc/71/81/13/1163718113.db2.gz LGPYNQNHCSQNFB-JTQLQIEISA-N -1 1 315.333 0.847 20 0 DCADMM O=C([O-])c1cccc2nc(NC(=O)C3CS(=O)(=O)C3)[nH]c21 ZINC001574414582 1163718181 /nfs/dbraw/zinc/71/81/81/1163718181.db2.gz FYVKNLVNJKNTEN-UHFFFAOYSA-N -1 1 309.303 0.244 20 0 DCADMM C[C@H](CCNC(=O)CCCF)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574605622 1163736655 /nfs/dbraw/zinc/73/66/55/1163736655.db2.gz NFWFHVQVICWHGZ-SECBINFHSA-N -1 1 322.348 0.713 20 0 DCADMM C[C@H](CCNC(=O)CCCF)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574605622 1163736663 /nfs/dbraw/zinc/73/66/63/1163736663.db2.gz NFWFHVQVICWHGZ-SECBINFHSA-N -1 1 322.348 0.713 20 0 DCADMM C[C@@H](CNC(=O)[C@@H](C)C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574833952 1163765126 /nfs/dbraw/zinc/76/51/26/1163765126.db2.gz AHBRJZQOUCVPRF-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@@H](C)C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574833952 1163765133 /nfs/dbraw/zinc/76/51/33/1163765133.db2.gz AHBRJZQOUCVPRF-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC1(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574861705 1163774495 /nfs/dbraw/zinc/77/44/95/1163774495.db2.gz MUKUUFMTEVTOPX-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC1(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574861705 1163774502 /nfs/dbraw/zinc/77/45/02/1163774502.db2.gz MUKUUFMTEVTOPX-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(=O)NCc1ccccc1 ZINC001575444357 1164017820 /nfs/dbraw/zinc/01/78/20/1164017820.db2.gz KYWSIZSLALHQOJ-JTQLQIEISA-N -1 1 324.348 0.774 20 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/nfs/dbraw/zinc/23/85/92/1164238592.db2.gz LLIVKHFTQAJEBG-HRDYMLBCSA-N -1 1 316.321 0.199 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1=O ZINC001576095645 1164238598 /nfs/dbraw/zinc/23/85/98/1164238598.db2.gz LLIVKHFTQAJEBG-HRDYMLBCSA-N -1 1 316.321 0.199 20 0 DCADMM CCC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576407019 1164328631 /nfs/dbraw/zinc/32/86/31/1164328631.db2.gz LGSDHWQNTCKPLB-PSASIEDQSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576407019 1164328640 /nfs/dbraw/zinc/32/86/40/1164328640.db2.gz LGSDHWQNTCKPLB-PSASIEDQSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)N(CC)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001576410387 1164330289 /nfs/dbraw/zinc/33/02/89/1164330289.db2.gz IPDRFWGEOOJXIA-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N(CC)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001576410387 1164330293 /nfs/dbraw/zinc/33/02/93/1164330293.db2.gz IPDRFWGEOOJXIA-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576416566 1164335644 /nfs/dbraw/zinc/33/56/44/1164335644.db2.gz QWLMETOHXPULPK-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576416566 1164335648 /nfs/dbraw/zinc/33/56/48/1164335648.db2.gz QWLMETOHXPULPK-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001576421026 1164338589 /nfs/dbraw/zinc/33/85/89/1164338589.db2.gz MYRXIMFVYULBFD-GXSJLCMTSA-N -1 1 314.353 0.104 20 0 DCADMM CCC(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001576421026 1164338594 /nfs/dbraw/zinc/33/85/94/1164338594.db2.gz MYRXIMFVYULBFD-GXSJLCMTSA-N -1 1 314.353 0.104 20 0 DCADMM CCC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001576441057 1164346157 /nfs/dbraw/zinc/34/61/57/1164346157.db2.gz PUZBTEMUOSZAKS-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001576441057 1164346163 /nfs/dbraw/zinc/34/61/63/1164346163.db2.gz PUZBTEMUOSZAKS-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCC(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576470521 1164353001 /nfs/dbraw/zinc/35/30/01/1164353001.db2.gz FREJDWZHNUTNDN-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576470521 1164353010 /nfs/dbraw/zinc/35/30/10/1164353010.db2.gz FREJDWZHNUTNDN-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NC[C@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576470670 1164353760 /nfs/dbraw/zinc/35/37/60/1164353760.db2.gz KYHGWFFHBGIYIZ-SECBINFHSA-N -1 1 318.385 0.793 20 0 DCADMM CCC(=O)NC[C@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576470670 1164353765 /nfs/dbraw/zinc/35/37/65/1164353765.db2.gz KYHGWFFHBGIYIZ-SECBINFHSA-N -1 1 318.385 0.793 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001576564012 1164393983 /nfs/dbraw/zinc/39/39/83/1164393983.db2.gz PUAVHIAOSSRYAT-JTQLQIEISA-N -1 1 318.385 0.597 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001576564012 1164393990 /nfs/dbraw/zinc/39/39/90/1164393990.db2.gz PUAVHIAOSSRYAT-JTQLQIEISA-N -1 1 318.385 0.597 20 0 DCADMM CC/C(C)=C\C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576562820 1164394232 /nfs/dbraw/zinc/39/42/32/1164394232.db2.gz NOMABYKFKNUTRR-YFHOEESVSA-N -1 1 316.369 0.931 20 0 DCADMM CC/C(C)=C\C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576562820 1164394238 /nfs/dbraw/zinc/39/42/38/1164394238.db2.gz NOMABYKFKNUTRR-YFHOEESVSA-N -1 1 316.369 0.931 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576581208 1164403479 /nfs/dbraw/zinc/40/34/79/1164403479.db2.gz KRHLOJUAPQKCPQ-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576581208 1164403483 /nfs/dbraw/zinc/40/34/83/1164403483.db2.gz KRHLOJUAPQKCPQ-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576603796 1164410447 /nfs/dbraw/zinc/41/04/47/1164410447.db2.gz AFEWFQGXJYDQOG-LPEHRKFASA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576603796 1164410453 /nfs/dbraw/zinc/41/04/53/1164410453.db2.gz AFEWFQGXJYDQOG-LPEHRKFASA-N -1 1 316.369 0.762 20 0 DCADMM CCC(CC)C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576731405 1164446232 /nfs/dbraw/zinc/44/62/32/1164446232.db2.gz VXOJXUMGUZNEHZ-SECBINFHSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](CNC(=O)C(C)(C)F)Nc1nccnc1-c1nnn[n-]1 ZINC001576767637 1164455382 /nfs/dbraw/zinc/45/53/82/1164455382.db2.gz WNOMZHNFSKUBLV-QMMMGPOBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](CNC(=O)C(C)(C)F)Nc1nccnc1-c1nn[n-]n1 ZINC001576767637 1164455388 /nfs/dbraw/zinc/45/53/88/1164455388.db2.gz WNOMZHNFSKUBLV-QMMMGPOBSA-N -1 1 322.348 0.712 20 0 DCADMM CN(CCCNC(=O)[C@H]1CCOC1)C(=O)c1ncccc1[O-] ZINC001576838152 1164487206 /nfs/dbraw/zinc/48/72/06/1164487206.db2.gz KZSJYCIZUKEYJI-NSHDSACASA-N -1 1 307.350 0.402 20 0 DCADMM COC(=O)[C@@H](Cc1c[nH]nn1)NC(=O)c1ccc(O)cc1F ZINC001576913695 1164530958 /nfs/dbraw/zinc/53/09/58/1164530958.db2.gz QIYAZVSWOMOHPF-LLVKDONJSA-N -1 1 308.269 0.164 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576928159 1164538373 /nfs/dbraw/zinc/53/83/73/1164538373.db2.gz RTIWKVPXJWZKTC-SECBINFHSA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576928159 1164538380 /nfs/dbraw/zinc/53/83/80/1164538380.db2.gz RTIWKVPXJWZKTC-SECBINFHSA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576926608 1164538606 /nfs/dbraw/zinc/53/86/06/1164538606.db2.gz SECIPBNXFRGYKS-DTWKUNHWSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576926608 1164538613 /nfs/dbraw/zinc/53/86/13/1164538613.db2.gz SECIPBNXFRGYKS-DTWKUNHWSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576942456 1164547437 /nfs/dbraw/zinc/54/74/37/1164547437.db2.gz QJBJHWKGBWRLTQ-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576942456 1164547444 /nfs/dbraw/zinc/54/74/44/1164547444.db2.gz QJBJHWKGBWRLTQ-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576954897 1164555945 /nfs/dbraw/zinc/55/59/45/1164555945.db2.gz WBVXEOWJGKKWHY-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576954897 1164555955 /nfs/dbraw/zinc/55/59/55/1164555955.db2.gz WBVXEOWJGKKWHY-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC/C=C(/C)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577183383 1164624738 /nfs/dbraw/zinc/62/47/38/1164624738.db2.gz ZOMBYTFFRUBCJF-BSKOKIOFSA-N -1 1 316.369 0.352 20 0 DCADMM CCCC(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577184891 1164626096 /nfs/dbraw/zinc/62/60/96/1164626096.db2.gz OUAHLPZLMMIIRF-UHFFFAOYSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577184891 1164626101 /nfs/dbraw/zinc/62/61/01/1164626101.db2.gz OUAHLPZLMMIIRF-UHFFFAOYSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001577191088 1164629595 /nfs/dbraw/zinc/62/95/95/1164629595.db2.gz POGKJHQLWJIPGY-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001577191088 1164629598 /nfs/dbraw/zinc/62/95/98/1164629598.db2.gz POGKJHQLWJIPGY-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001577194533 1164629630 /nfs/dbraw/zinc/62/96/30/1164629630.db2.gz LOQQMRMRIVELFQ-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001577194533 1164629632 /nfs/dbraw/zinc/62/96/32/1164629632.db2.gz LOQQMRMRIVELFQ-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577207188 1164634422 /nfs/dbraw/zinc/63/44/22/1164634422.db2.gz 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1164811813 /nfs/dbraw/zinc/81/18/13/1164811813.db2.gz NHSSDYOFAZXYRZ-LLVKDONJSA-N -1 1 316.369 0.412 20 0 DCADMM CCN(C(C)=O)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577844769 1164811817 /nfs/dbraw/zinc/81/18/17/1164811817.db2.gz NHSSDYOFAZXYRZ-LLVKDONJSA-N -1 1 316.369 0.412 20 0 DCADMM CCN(C[C@H](C)OC)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577874485 1164820356 /nfs/dbraw/zinc/82/03/56/1164820356.db2.gz VPGWCJFDYHWWEC-VIFPVBQESA-N -1 1 320.353 0.773 20 0 DCADMM CCN(CC)C(=O)CCCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001577878084 1164823135 /nfs/dbraw/zinc/82/31/35/1164823135.db2.gz YUMZVFSUNVAPBP-UHFFFAOYSA-N -1 1 320.357 0.567 20 0 DCADMM CCN(CC)C(=O)CCCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001577878084 1164823144 /nfs/dbraw/zinc/82/31/44/1164823144.db2.gz YUMZVFSUNVAPBP-UHFFFAOYSA-N -1 1 320.357 0.567 20 0 DCADMM CCN(CCNC(=O)C1CCC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001577945753 1164856314 /nfs/dbraw/zinc/85/63/14/1164856314.db2.gz GYJZOQUNPCJDGP-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)C1CCC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001577945753 1164856321 /nfs/dbraw/zinc/85/63/21/1164856321.db2.gz GYJZOQUNPCJDGP-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNc1nccnc1-c1nnn[n-]1)C(=O)C1(C)CC1 ZINC001578163018 1164941554 /nfs/dbraw/zinc/94/15/54/1164941554.db2.gz CMRWRNLQROYFEX-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1nccnc1-c1nn[n-]n1)C(=O)C1(C)CC1 ZINC001578163018 1164941563 /nfs/dbraw/zinc/94/15/63/1164941563.db2.gz CMRWRNLQROYFEX-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001578249747 1164962795 /nfs/dbraw/zinc/96/27/95/1164962795.db2.gz XUHGKWYHTVNEIG-JGVFFNPUSA-N -1 1 319.325 0.508 20 0 DCADMM CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001578249747 1164962805 /nfs/dbraw/zinc/96/28/05/1164962805.db2.gz XUHGKWYHTVNEIG-JGVFFNPUSA-N -1 1 319.325 0.508 20 0 DCADMM CCO[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001578378607 1164991130 /nfs/dbraw/zinc/99/11/30/1164991130.db2.gz HKWZHQRCRRVZTC-OPRDCNLKSA-N -1 1 320.357 0.093 20 0 DCADMM CCOc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)[nH]n1 ZINC001578390205 1164995703 /nfs/dbraw/zinc/99/57/03/1164995703.db2.gz HLWAZAYEIIPCHK-UHFFFAOYSA-N -1 1 320.338 0.375 20 0 DCADMM CCOc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)[nH]n1 ZINC001578390205 1164995710 /nfs/dbraw/zinc/99/57/10/1164995710.db2.gz HLWAZAYEIIPCHK-UHFFFAOYSA-N -1 1 320.338 0.375 20 0 DCADMM CC[C@@H]1OCC[C@H]1C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001578443181 1165018514 /nfs/dbraw/zinc/01/85/14/1165018514.db2.gz MEFOVIJNNXHQQY-BDAKNGLRSA-N -1 1 305.342 0.662 20 0 DCADMM CC[C@@H]1OCC[C@H]1C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001578443181 1165018522 /nfs/dbraw/zinc/01/85/22/1165018522.db2.gz MEFOVIJNNXHQQY-BDAKNGLRSA-N -1 1 305.342 0.662 20 0 DCADMM CN[C@@H](C(=O)[N-]OCC(N)=O)c1cccc(Cl)c1Cl ZINC001578569784 1165064674 /nfs/dbraw/zinc/06/46/74/1165064674.db2.gz ROXGAMFVXRZELM-SNVBAGLBSA-N -1 1 306.149 0.787 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CNC(C)=O)C2)n1 ZINC001578581410 1165065814 /nfs/dbraw/zinc/06/58/14/1165065814.db2.gz XJJCMPYWBPORMI-SNVBAGLBSA-N -1 1 316.369 0.182 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CNC(C)=O)C2)n1 ZINC001578581410 1165065823 /nfs/dbraw/zinc/06/58/23/1165065823.db2.gz XJJCMPYWBPORMI-SNVBAGLBSA-N -1 1 316.369 0.182 20 0 DCADMM CCc1nc(N[C@H]2CS(=O)(=O)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001578676168 1165085086 /nfs/dbraw/zinc/08/50/86/1165085086.db2.gz RODVSXBRLWQJML-APPZFPTMSA-N -1 1 323.382 0.064 20 0 DCADMM CCc1nc(N[C@H]2CS(=O)(=O)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001578676168 1165085093 /nfs/dbraw/zinc/08/50/93/1165085093.db2.gz RODVSXBRLWQJML-APPZFPTMSA-N -1 1 323.382 0.064 20 0 DCADMM CCc1nc(N[C@H]2C[C@@H](CNC(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001578675798 1165085438 /nfs/dbraw/zinc/08/54/38/1165085438.db2.gz KHUFIWMALMKAJA-AOOOYVTPSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(N[C@H]2C[C@@H](CNC(C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001578675798 1165085442 /nfs/dbraw/zinc/08/54/42/1165085442.db2.gz KHUFIWMALMKAJA-AOOOYVTPSA-N -1 1 316.369 0.546 20 0 DCADMM CCn1nc(C)c(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001578806400 1165122093 /nfs/dbraw/zinc/12/20/93/1165122093.db2.gz ULDDPULBMSDDAG-UHFFFAOYSA-N -1 1 313.325 0.112 20 0 DCADMM CCn1nc(C)c(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001578806400 1165122098 /nfs/dbraw/zinc/12/20/98/1165122098.db2.gz ULDDPULBMSDDAG-UHFFFAOYSA-N -1 1 313.325 0.112 20 0 DCADMM CN(C(=O)C[C@@H]1COC(=O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578869722 1165145039 /nfs/dbraw/zinc/14/50/39/1165145039.db2.gz YAEXJTGSUIABKV-QMMMGPOBSA-N -1 1 302.294 0.178 20 0 DCADMM CN(C(=O)C[C@@H]1COC(=O)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578869722 1165145040 /nfs/dbraw/zinc/14/50/40/1165145040.db2.gz YAEXJTGSUIABKV-QMMMGPOBSA-N -1 1 302.294 0.178 20 0 DCADMM CN(C(=O)c1cnn(C)c1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001578944853 1165165729 /nfs/dbraw/zinc/16/57/29/1165165729.db2.gz PAFLVOAPWKJASE-UHFFFAOYSA-N -1 1 318.728 0.925 20 0 DCADMM CN(CCNC(=O)[C@H]1CC1(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001579167279 1165227641 /nfs/dbraw/zinc/22/76/41/1165227641.db2.gz RMVVMLNTINMOBS-SECBINFHSA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNC(=O)[C@H]1CC1(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001579167279 1165227650 /nfs/dbraw/zinc/22/76/50/1165227650.db2.gz RMVVMLNTINMOBS-SECBINFHSA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNC(=O)CC1CCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001579176983 1165229849 /nfs/dbraw/zinc/22/98/49/1165229849.db2.gz SSBDFAILGIBCFE-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)CC1CCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001579176983 1165229853 /nfs/dbraw/zinc/22/98/53/1165229853.db2.gz SSBDFAILGIBCFE-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001579281317 1165260502 /nfs/dbraw/zinc/26/05/02/1165260502.db2.gz ZZPBFYXPXXGNBB-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM COc1cnc(C(C)(C)NC(=O)c2ccc(N)nc2)[n-]c1=O ZINC001579322341 1165271381 /nfs/dbraw/zinc/27/13/81/1165271381.db2.gz RSMJQDHUNILTGG-UHFFFAOYSA-N -1 1 303.322 0.833 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001579469110 1165319539 /nfs/dbraw/zinc/31/95/39/1165319539.db2.gz LFLJSXOABRYCBB-BDAKNGLRSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001579469110 1165319546 /nfs/dbraw/zinc/31/95/46/1165319546.db2.gz LFLJSXOABRYCBB-BDAKNGLRSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@@]1(C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001579472031 1165322986 /nfs/dbraw/zinc/32/29/86/1165322986.db2.gz CDLSNUXXPQUQCC-RTHLEPHNSA-N -1 1 319.321 0.731 20 0 DCADMM COC(=O)[C@@]1(C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001579472031 1165322999 /nfs/dbraw/zinc/32/29/99/1165322999.db2.gz CDLSNUXXPQUQCC-RTHLEPHNSA-N -1 1 319.321 0.731 20 0 DCADMM COC(=O)[C@H](C)NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001579474597 1165325024 /nfs/dbraw/zinc/32/50/24/1165325024.db2.gz OEYDPVWCNQTNGR-ZETCQYMHSA-N -1 1 314.305 0.639 20 0 DCADMM COC(=O)c1ccnc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001579488430 1165329920 /nfs/dbraw/zinc/32/99/20/1165329920.db2.gz DNBFWCPCDDQIRU-UHFFFAOYSA-N -1 1 314.265 0.024 20 0 DCADMM COC1CCC(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001579613378 1165358636 /nfs/dbraw/zinc/35/86/36/1165358636.db2.gz VJUGQCQOSVUBPV-XNWIYYODSA-N -1 1 320.357 0.093 20 0 DCADMM COCCCCC(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001579787833 1165395111 /nfs/dbraw/zinc/39/51/11/1165395111.db2.gz PTSPXCNBYIJBCM-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM COCCCCC(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001579787833 1165395117 /nfs/dbraw/zinc/39/51/17/1165395117.db2.gz PTSPXCNBYIJBCM-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM COCn1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cn1 ZINC001579848176 1165410552 /nfs/dbraw/zinc/41/05/52/1165410552.db2.gz QWNFNUDHQZNQCI-UHFFFAOYSA-N -1 1 318.297 0.145 20 0 DCADMM COCn1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cn1 ZINC001579848176 1165410554 /nfs/dbraw/zinc/41/05/54/1165410554.db2.gz QWNFNUDHQZNQCI-UHFFFAOYSA-N -1 1 318.297 0.145 20 0 DCADMM COc1ccc([C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001579993439 1165463630 /nfs/dbraw/zinc/46/36/30/1165463630.db2.gz WXDJCKPYABJTAO-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccc([C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001579993439 1165463632 /nfs/dbraw/zinc/46/36/32/1165463632.db2.gz WXDJCKPYABJTAO-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccnc(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001580095433 1165501907 /nfs/dbraw/zinc/50/19/07/1165501907.db2.gz VDGNMUBFHCOTIY-UHFFFAOYSA-N -1 1 312.293 0.337 20 0 DCADMM COc1ccnc(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001580095433 1165501915 /nfs/dbraw/zinc/50/19/15/1165501915.db2.gz VDGNMUBFHCOTIY-UHFFFAOYSA-N -1 1 312.293 0.337 20 0 DCADMM COc1ncc(NC(=O)N[C@@H](C)C(C)(C)O)cc1-c1nn[n-]n1 ZINC001580138852 1165516676 /nfs/dbraw/zinc/51/66/76/1165516676.db2.gz PCDWJYSKLZLGCK-ZETCQYMHSA-N -1 1 321.341 0.551 20 0 DCADMM COc1nn(C)cc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001580151391 1165520809 /nfs/dbraw/zinc/52/08/09/1165520809.db2.gz NKVXAOWIIBEZKL-UHFFFAOYSA-N -1 1 305.323 0.923 20 0 DCADMM COc1nn(C)cc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001580151391 1165520812 /nfs/dbraw/zinc/52/08/12/1165520812.db2.gz NKVXAOWIIBEZKL-UHFFFAOYSA-N -1 1 305.323 0.923 20 0 DCADMM CS[C@H](C)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001580188881 1165531576 /nfs/dbraw/zinc/53/15/76/1165531576.db2.gz FCVPBJHRWRHWHR-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001580188881 1165531580 /nfs/dbraw/zinc/53/15/80/1165531580.db2.gz FCVPBJHRWRHWHR-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001580187546 1165531978 /nfs/dbraw/zinc/53/19/78/1165531978.db2.gz HTFGLDQICXCMSX-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001580187546 1165531986 /nfs/dbraw/zinc/53/19/86/1165531986.db2.gz HTFGLDQICXCMSX-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CC1(F)F ZINC001580418756 1165597936 /nfs/dbraw/zinc/59/79/36/1165597936.db2.gz RMWYDTKHRHLJKN-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CC1(F)F ZINC001580418756 1165597944 /nfs/dbraw/zinc/59/79/44/1165597944.db2.gz RMWYDTKHRHLJKN-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1CCCC1 ZINC001580427945 1165601512 /nfs/dbraw/zinc/60/15/12/1165601512.db2.gz YCHKYPDQUPOTRD-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1CCCC1 ZINC001580427945 1165601518 /nfs/dbraw/zinc/60/15/18/1165601518.db2.gz YCHKYPDQUPOTRD-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc[nH]1 ZINC001580430179 1165601601 /nfs/dbraw/zinc/60/16/01/1165601601.db2.gz XYVGQYXCWUYEGC-MRVPVSSYSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc[nH]1 ZINC001580430179 1165601606 /nfs/dbraw/zinc/60/16/06/1165601606.db2.gz XYVGQYXCWUYEGC-MRVPVSSYSA-N -1 1 313.325 0.215 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC001580461810 1165608892 /nfs/dbraw/zinc/60/88/92/1165608892.db2.gz KAVIBHDFJPRVMZ-UHFFFAOYSA-N -1 1 315.293 0.621 20 0 DCADMM Cc1c(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)cnn1C ZINC001580550815 1165636240 /nfs/dbraw/zinc/63/62/40/1165636240.db2.gz HXFHAQRLRSFDJU-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1c(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)cnn1C ZINC001580550815 1165636242 /nfs/dbraw/zinc/63/62/42/1165636242.db2.gz HXFHAQRLRSFDJU-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@H](CO)C1 ZINC001580596902 1165649145 /nfs/dbraw/zinc/64/91/45/1165649145.db2.gz DZOZXIGITMRUKA-VIFPVBQESA-N -1 1 318.337 0.120 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)c1nncs1 ZINC001580596024 1165649667 /nfs/dbraw/zinc/64/96/67/1165649667.db2.gz HZRLSAFRNVUBRV-UHFFFAOYSA-N -1 1 318.322 0.404 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@H](CO)[C@@H]1C ZINC001580597518 1165650457 /nfs/dbraw/zinc/65/04/57/1165650457.db2.gz ICJPZWNSUZVVDL-DTWKUNHWSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCOC1(C)C ZINC001580600663 1165651652 /nfs/dbraw/zinc/65/16/52/1165651652.db2.gz GLVZWMZACGGYHT-SECBINFHSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CCNC(=O)C(C)C)n1 ZINC001580689193 1165688844 /nfs/dbraw/zinc/68/88/44/1165688844.db2.gz WDQOAFHVVXRJAP-VIFPVBQESA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CCNC(=O)C(C)C)n1 ZINC001580689193 1165688848 /nfs/dbraw/zinc/68/88/48/1165688848.db2.gz WDQOAFHVVXRJAP-VIFPVBQESA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)C(C)C)C2)n1 ZINC001580709504 1165693507 /nfs/dbraw/zinc/69/35/07/1165693507.db2.gz HEXFMMVTZOOPEF-JTQLQIEISA-N -1 1 316.369 0.634 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)C(C)C)C2)n1 ZINC001580709504 1165693511 /nfs/dbraw/zinc/69/35/11/1165693511.db2.gz HEXFMMVTZOOPEF-JTQLQIEISA-N -1 1 316.369 0.634 20 0 DCADMM Cc1cc(C2(C(=O)Nc3n[nH]c(C)c3-c3nn[n-]n3)CC2)on1 ZINC001580917715 1165757513 /nfs/dbraw/zinc/75/75/13/1165757513.db2.gz XVFDRICIPHWRPQ-UHFFFAOYSA-N -1 1 314.309 0.865 20 0 DCADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n2ncnc2n1 ZINC001580985115 1165770814 /nfs/dbraw/zinc/77/08/14/1165770814.db2.gz NWCPRHWFSNGWPZ-UHFFFAOYSA-N -1 1 322.292 0.260 20 0 DCADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n2ncnc2n1 ZINC001580985115 1165770820 /nfs/dbraw/zinc/77/08/20/1165770820.db2.gz NWCPRHWFSNGWPZ-UHFFFAOYSA-N -1 1 322.292 0.260 20 0 DCADMM Cc1ccc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)o1 ZINC001581200645 1165795745 /nfs/dbraw/zinc/79/57/45/1165795745.db2.gz SYJIZFKNCNTBBA-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cccc3ncnn32)c1-c1nnn[n-]1 ZINC001581595373 1165847617 /nfs/dbraw/zinc/84/76/17/1165847617.db2.gz ZUFVYBSOLHLMOA-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cccc3ncnn32)c1-c1nn[n-]n1 ZINC001581595373 1165847627 /nfs/dbraw/zinc/84/76/27/1165847627.db2.gz ZUFVYBSOLHLMOA-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1noc(CCNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001581636755 1165854715 /nfs/dbraw/zinc/85/47/15/1165854715.db2.gz RZFSHMJKJJDQCX-UHFFFAOYSA-N -1 1 315.297 0.317 20 0 DCADMM Cc1noc(CCNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001581636755 1165854723 /nfs/dbraw/zinc/85/47/23/1165854723.db2.gz RZFSHMJKJJDQCX-UHFFFAOYSA-N -1 1 315.297 0.317 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cnc(C(N)=O)s1 ZINC001581727324 1165863003 /nfs/dbraw/zinc/86/30/03/1165863003.db2.gz SAGRYSIQYQHJNH-UHFFFAOYSA-N -1 1 319.306 0.576 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cnc(C(N)=O)s1 ZINC001581727324 1165863009 /nfs/dbraw/zinc/86/30/09/1165863009.db2.gz SAGRYSIQYQHJNH-UHFFFAOYSA-N -1 1 319.306 0.576 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)C(=O)OC(C)C)c1-c1nnn[n-]1 ZINC001581739533 1165863411 /nfs/dbraw/zinc/86/34/11/1165863411.db2.gz SARAIKFWAWHQIO-ZETCQYMHSA-N -1 1 322.325 0.162 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)C(=O)OC(C)C)c1-c1nn[n-]n1 ZINC001581739533 1165863422 /nfs/dbraw/zinc/86/34/22/1165863422.db2.gz SARAIKFWAWHQIO-ZETCQYMHSA-N -1 1 322.325 0.162 20 0 DCADMM Cn1cnnc1SCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581821155 1165882663 /nfs/dbraw/zinc/88/26/63/1165882663.db2.gz BYUNZKOKLLNIKH-UHFFFAOYSA-N -1 1 317.338 0.121 20 0 DCADMM Cn1cnnc1SCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581821155 1165882669 /nfs/dbraw/zinc/88/26/69/1165882669.db2.gz BYUNZKOKLLNIKH-UHFFFAOYSA-N -1 1 317.338 0.121 20 0 DCADMM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001581888404 1165903937 /nfs/dbraw/zinc/90/39/37/1165903937.db2.gz IQFJLHRSTDYEMD-ARENWVFISA-N -1 1 316.321 0.186 20 0 DCADMM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001581888404 1165903942 /nfs/dbraw/zinc/90/39/42/1165903942.db2.gz IQFJLHRSTDYEMD-ARENWVFISA-N -1 1 316.321 0.186 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(F)cc(Cl)c1N ZINC001581908898 1165909092 /nfs/dbraw/zinc/90/90/92/1165909092.db2.gz HDJWEFLNBRKTBB-UHFFFAOYSA-N -1 1 322.691 0.709 20 0 DCADMM NC(=O)c1cccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001581905240 1165909983 /nfs/dbraw/zinc/90/99/83/1165909983.db2.gz XUZWTUXZDKHLAB-UHFFFAOYSA-N -1 1 312.289 0.489 20 0 DCADMM NC(=O)c1cccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001581905240 1165909990 /nfs/dbraw/zinc/90/99/90/1165909990.db2.gz XUZWTUXZDKHLAB-UHFFFAOYSA-N -1 1 312.289 0.489 20 0 DCADMM Nc1c[nH]nc1[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001581910506 1165911117 /nfs/dbraw/zinc/91/11/17/1165911117.db2.gz ULHYSLYXVKROTK-SSDOTTSWSA-N -1 1 314.309 0.395 20 0 DCADMM O=C(C[C@H](O)c1cccc(F)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001581959649 1165923685 /nfs/dbraw/zinc/92/36/85/1165923685.db2.gz LRFUUNGXOJVDKE-JTQLQIEISA-N -1 1 317.284 0.791 20 0 DCADMM O=C(C[C@H](O)c1cccc(F)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001581959649 1165923689 /nfs/dbraw/zinc/92/36/89/1165923689.db2.gz LRFUUNGXOJVDKE-JTQLQIEISA-N -1 1 317.284 0.791 20 0 DCADMM O=C(CC1CC1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001581968026 1165925861 /nfs/dbraw/zinc/92/58/61/1165925861.db2.gz LLPWHQVSHDCTBP-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CC1CC1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001581968026 1165925867 /nfs/dbraw/zinc/92/58/67/1165925867.db2.gz LLPWHQVSHDCTBP-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C[C@H]1NC(=O)c2ccccc21)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582009283 1165937317 /nfs/dbraw/zinc/93/73/17/1165937317.db2.gz JCSNGSZAUJQEHB-SNVBAGLBSA-N -1 1 324.304 0.403 20 0 DCADMM O=C(C[C@H]1NC(=O)c2ccccc21)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582009283 1165937323 /nfs/dbraw/zinc/93/73/23/1165937323.db2.gz JCSNGSZAUJQEHB-SNVBAGLBSA-N -1 1 324.304 0.403 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCc1cscn1 ZINC001582137968 1165966930 /nfs/dbraw/zinc/96/69/30/1165966930.db2.gz OQJIQGANZDEZBF-UHFFFAOYSA-N -1 1 315.362 0.620 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCc1cscn1 ZINC001582137968 1165966936 /nfs/dbraw/zinc/96/69/36/1165966936.db2.gz OQJIQGANZDEZBF-UHFFFAOYSA-N -1 1 315.362 0.620 20 0 DCADMM O=C(Cc1ccc2c(c1)OCO2)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582143729 1165969206 /nfs/dbraw/zinc/96/92/06/1165969206.db2.gz WQGGIKRNTDJGJZ-UHFFFAOYSA-N -1 1 313.277 0.500 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(O)c(F)cc1F ZINC001582199001 1165982642 /nfs/dbraw/zinc/98/26/42/1165982642.db2.gz ARDGZPZTNDUOER-UHFFFAOYSA-N -1 1 322.235 0.081 20 0 DCADMM O=C(N[C@H]1CC12CCOCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001582265121 1165994212 /nfs/dbraw/zinc/99/42/12/1165994212.db2.gz GDMOZEXSUWHVLO-NSHDSACASA-N -1 1 300.322 0.561 20 0 DCADMM O=C(N[C@H]1CC12CCOCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001582265121 1165994215 /nfs/dbraw/zinc/99/42/15/1165994215.db2.gz GDMOZEXSUWHVLO-NSHDSACASA-N -1 1 300.322 0.561 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc2nsnc21 ZINC001582631381 1166055430 /nfs/dbraw/zinc/05/54/30/1166055430.db2.gz FUUHVHSIGSHHFA-UHFFFAOYSA-N -1 1 313.306 0.847 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc2nsnc21 ZINC001582631381 1166055438 /nfs/dbraw/zinc/05/54/38/1166055438.db2.gz FUUHVHSIGSHHFA-UHFFFAOYSA-N -1 1 313.306 0.847 20 0 DCADMM O=C(Nc1cc(CO)cc(CO)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001582635019 1166056696 /nfs/dbraw/zinc/05/66/96/1166056696.db2.gz YQCICSJFWGGQNZ-UHFFFAOYSA-N -1 1 315.289 0.697 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnn2c1OCCC2 ZINC001582644466 1166059187 /nfs/dbraw/zinc/05/91/87/1166059187.db2.gz HCGJFVHSXKDEBI-UHFFFAOYSA-N -1 1 312.293 0.493 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnn2c1OCCC2 ZINC001582644466 1166059194 /nfs/dbraw/zinc/05/91/94/1166059194.db2.gz HCGJFVHSXKDEBI-UHFFFAOYSA-N -1 1 312.293 0.493 20 0 DCADMM O=C(Nc1ncc2c(n1)CCOC2)c1ccc(-c2nn[n-]n2)o1 ZINC001582653794 1166061382 /nfs/dbraw/zinc/06/13/82/1166061382.db2.gz XZMLTZKMGRXKMV-UHFFFAOYSA-N -1 1 313.277 0.575 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCO[C@@H](c2ncon2)C1 ZINC001582741567 1166071573 /nfs/dbraw/zinc/07/15/73/1166071573.db2.gz ACFJQGGBEMDYCM-SECBINFHSA-N -1 1 317.265 0.056 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCO[C@@H](c2ncon2)C1 ZINC001582741567 1166071580 /nfs/dbraw/zinc/07/15/80/1166071580.db2.gz ACFJQGGBEMDYCM-SECBINFHSA-N -1 1 317.265 0.056 20 0 DCADMM O=C1C[C@@H](Oc2ccc(Nc3cncc(-c4nnn[n-]4)n3)cc2)N1 ZINC001582760985 1166077921 /nfs/dbraw/zinc/07/79/21/1166077921.db2.gz XJCUQAGYIHJJSW-CYBMUJFWSA-N -1 1 324.304 0.625 20 0 DCADMM O=C1C[C@@H](Oc2ccc(Nc3cncc(-c4nn[n-]n4)n3)cc2)N1 ZINC001582760985 1166077927 /nfs/dbraw/zinc/07/79/27/1166077927.db2.gz XJCUQAGYIHJJSW-CYBMUJFWSA-N -1 1 324.304 0.625 20 0 DCADMM CCc1nc2c(nccc2C(=O)[N-]n2ccc(=O)[nH]c2=O)[nH]1 ZINC001586191269 1166483106 /nfs/dbraw/zinc/48/31/06/1166483106.db2.gz RMKXEEFXEHIOLZ-UHFFFAOYSA-N -1 1 300.278 0.167 20 0 DCADMM CC(=O)CSCC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001588797092 1166593259 /nfs/dbraw/zinc/59/32/59/1166593259.db2.gz XBPZKWMASDDOJI-UHFFFAOYSA-N -1 1 306.351 0.547 20 0 DCADMM CC(=O)CSCC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001588797092 1166593264 /nfs/dbraw/zinc/59/32/64/1166593264.db2.gz XBPZKWMASDDOJI-UHFFFAOYSA-N -1 1 306.351 0.547 20 0 DCADMM C[C@H](C(=O)N1CCC=C(Cl)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951008 1166621008 /nfs/dbraw/zinc/62/10/08/1166621008.db2.gz BQLAWCRXEVQEAG-SSDOTTSWSA-N -1 1 308.733 0.374 20 0 DCADMM C[C@H](C(=O)N[C@H]1C[C@H]1c1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588972767 1166623494 /nfs/dbraw/zinc/62/34/94/1166623494.db2.gz MIYJYTVMIYPPBF-USWWRNFRSA-N -1 1 324.348 0.692 20 0 DCADMM C[C@H](C(=O)N[C@@]12C[C@@H]1CCCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001588970877 1166624201 /nfs/dbraw/zinc/62/42/01/1166624201.db2.gz QIPAHHJNAHRJAI-ZDMBXUJBSA-N -1 1 302.342 0.468 20 0 DCADMM C[C@@H](C(=O)NC[C@]1(C)CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588978215 1166625261 /nfs/dbraw/zinc/62/52/61/1166625261.db2.gz HDRXHPQMMNPJCD-WKEGUHRASA-N -1 1 312.284 0.181 20 0 DCADMM C[C@H](C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001588992427 1166626639 /nfs/dbraw/zinc/62/66/39/1166626639.db2.gz RILUPVKHVNWDJI-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001588992427 1166626643 /nfs/dbraw/zinc/62/66/43/1166626643.db2.gz RILUPVKHVNWDJI-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](C(=O)OC[C@]1(C)CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001589027979 1166630502 /nfs/dbraw/zinc/63/05/02/1166630502.db2.gz SCXZJOVNYOGJFQ-WKEGUHRASA-N -1 1 313.268 0.608 20 0 DCADMM C[C@H](C(=O)OC[C@@H]1CCCS1)n1cnc(-c2nn[n-]n2)n1 ZINC001589027477 1166631871 /nfs/dbraw/zinc/63/18/71/1166631871.db2.gz OBKPIEPJQLDHES-SFYZADRCSA-N -1 1 309.355 0.458 20 0 DCADMM CC(C)(C)n1nnc(CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001589264302 1166641847 /nfs/dbraw/zinc/64/18/47/1166641847.db2.gz QUYMODJOESBTDK-UHFFFAOYSA-N -1 1 301.318 0.010 20 0 DCADMM CC(C)(C)n1nnc(CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001589264302 1166641850 /nfs/dbraw/zinc/64/18/50/1166641850.db2.gz QUYMODJOESBTDK-UHFFFAOYSA-N -1 1 301.318 0.010 20 0 DCADMM CC(C)(O)CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001589338963 1166649646 /nfs/dbraw/zinc/64/96/46/1166649646.db2.gz PMCUQCKOKCDXHR-UHFFFAOYSA-N -1 1 300.322 0.849 20 0 DCADMM CC(C)=CC(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001589370380 1166651800 /nfs/dbraw/zinc/65/18/00/1166651800.db2.gz XUYMNRUITFCPPP-SECBINFHSA-N -1 1 302.342 0.540 20 0 DCADMM CC(C)=CC(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001589370380 1166651802 /nfs/dbraw/zinc/65/18/02/1166651802.db2.gz XUYMNRUITFCPPP-SECBINFHSA-N -1 1 302.342 0.540 20 0 DCADMM CC(C)[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)N1CCCC1=O ZINC001589417998 1166656745 /nfs/dbraw/zinc/65/67/45/1166656745.db2.gz LTKFGQZQJMMPPQ-SNVBAGLBSA-N -1 1 318.341 0.175 20 0 DCADMM CC(C)[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)N1CCCC1=O ZINC001589417998 1166656750 /nfs/dbraw/zinc/65/67/50/1166656750.db2.gz LTKFGQZQJMMPPQ-SNVBAGLBSA-N -1 1 318.341 0.175 20 0 DCADMM CC(C)C(=O)OCCOC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589412592 1166657380 /nfs/dbraw/zinc/65/73/80/1166657380.db2.gz KSLHHPNGRIIKSO-UHFFFAOYSA-N -1 1 305.294 0.618 20 0 DCADMM CC(C)C(=O)OCCOC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589412592 1166657382 /nfs/dbraw/zinc/65/73/82/1166657382.db2.gz KSLHHPNGRIIKSO-UHFFFAOYSA-N -1 1 305.294 0.618 20 0 DCADMM CC(C)[C@@H](CO)ONC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589460688 1166658622 /nfs/dbraw/zinc/65/86/22/1166658622.db2.gz RKZWAISDTUKDQK-SECBINFHSA-N -1 1 307.314 0.332 20 0 DCADMM CC(C)[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)N(C)C ZINC001589479558 1166661164 /nfs/dbraw/zinc/66/11/64/1166661164.db2.gz DLILXPLTSZJCNR-NSHDSACASA-N -1 1 318.337 0.531 20 0 DCADMM CC(C)[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)N(C)C ZINC001589479558 1166661168 /nfs/dbraw/zinc/66/11/68/1166661168.db2.gz DLILXPLTSZJCNR-NSHDSACASA-N -1 1 318.337 0.531 20 0 DCADMM CC(C)C1(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 ZINC001589491378 1166661784 /nfs/dbraw/zinc/66/17/84/1166661784.db2.gz SRWBHBKULCJGAW-UHFFFAOYSA-N -1 1 322.394 0.976 20 0 DCADMM CC(C)C1(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)CC1 ZINC001589491378 1166661789 /nfs/dbraw/zinc/66/17/89/1166661789.db2.gz SRWBHBKULCJGAW-UHFFFAOYSA-N -1 1 322.394 0.976 20 0 DCADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)CCO1 ZINC001589498806 1166663175 /nfs/dbraw/zinc/66/31/75/1166663175.db2.gz DJEMVFNRJHYBSF-WCBMZHEXSA-N -1 1 305.342 0.980 20 0 DCADMM CC(C)Cc1ncc(C(=O)n2ncc(-c3nn[n-]n3)c2N)s1 ZINC001589665176 1166670897 /nfs/dbraw/zinc/67/08/97/1166670897.db2.gz QYRQZNMVBZWSJZ-UHFFFAOYSA-N -1 1 318.366 0.989 20 0 DCADMM CC(C)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1=O ZINC001589714558 1166677678 /nfs/dbraw/zinc/67/76/78/1166677678.db2.gz XASYPJQCWXYKJW-UHFFFAOYSA-N -1 1 304.310 0.153 20 0 DCADMM CC(C)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1=O ZINC001589714558 1166677683 /nfs/dbraw/zinc/67/76/83/1166677683.db2.gz XASYPJQCWXYKJW-UHFFFAOYSA-N -1 1 304.310 0.153 20 0 DCADMM CC(C)NS(=O)(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589729261 1166678697 /nfs/dbraw/zinc/67/86/97/1166678697.db2.gz CDPNUCPIABKXFH-UHFFFAOYSA-N -1 1 302.385 0.261 20 0 DCADMM CC(C)OC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001589745894 1166681890 /nfs/dbraw/zinc/68/18/90/1166681890.db2.gz GTYMEWWGXAACRE-JTQLQIEISA-N -1 1 321.337 0.726 20 0 DCADMM CC(C)OC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001589745894 1166681891 /nfs/dbraw/zinc/68/18/91/1166681891.db2.gz GTYMEWWGXAACRE-JTQLQIEISA-N -1 1 321.337 0.726 20 0 DCADMM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589803832 1166691208 /nfs/dbraw/zinc/69/12/08/1166691208.db2.gz UMRSEBPLWYVARW-ZJUUUORDSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589803832 1166691221 /nfs/dbraw/zinc/69/12/21/1166691221.db2.gz UMRSEBPLWYVARW-ZJUUUORDSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](CCCO)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589821580 1166692940 /nfs/dbraw/zinc/69/29/40/1166692940.db2.gz RWRFNVBPUQILGH-ZETCQYMHSA-N -1 1 311.371 0.283 20 0 DCADMM C[C@@H](CCCO)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589821580 1166692943 /nfs/dbraw/zinc/69/29/43/1166692943.db2.gz RWRFNVBPUQILGH-ZETCQYMHSA-N -1 1 311.371 0.283 20 0 DCADMM C[C@H](CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1)[S@@](C)=O ZINC001589824821 1166693304 /nfs/dbraw/zinc/69/33/04/1166693304.db2.gz CUONQMXEDLTWHG-CWMRNNLJSA-N -1 1 323.382 0.540 20 0 DCADMM C[C@H](CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1)[S@@](C)=O ZINC001589824821 1166693307 /nfs/dbraw/zinc/69/33/07/1166693307.db2.gz CUONQMXEDLTWHG-CWMRNNLJSA-N -1 1 323.382 0.540 20 0 DCADMM C[C@@H](CN1CCOCC1)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589848260 1166696844 /nfs/dbraw/zinc/69/68/44/1166696844.db2.gz PSACZNGBXIHESW-VIFPVBQESA-N -1 1 322.394 0.379 20 0 DCADMM C[C@@H](CN1CCCC1=O)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589849251 1166699412 /nfs/dbraw/zinc/69/94/12/1166699412.db2.gz MXVSCJSAHMNAMN-VIFPVBQESA-N -1 1 315.337 0.002 20 0 DCADMM C[C@@H](CN1CCCC1=O)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589849251 1166699418 /nfs/dbraw/zinc/69/94/18/1166699418.db2.gz MXVSCJSAHMNAMN-VIFPVBQESA-N -1 1 315.337 0.002 20 0 DCADMM C[C@@H](O)C(C)(C)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589992941 1166739818 /nfs/dbraw/zinc/73/98/18/1166739818.db2.gz GBZULAQEBKWFEU-MRVPVSSYSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@@H](O)C(C)(C)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589992941 1166739822 /nfs/dbraw/zinc/73/98/22/1166739822.db2.gz GBZULAQEBKWFEU-MRVPVSSYSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@](O)(Cc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589993303 1166739915 /nfs/dbraw/zinc/73/99/15/1166739915.db2.gz SAAYYOYGSQTORD-AWEZNQCLSA-N -1 1 313.321 0.279 20 0 DCADMM CC1(C)[C@H](O)C[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590077845 1166767672 /nfs/dbraw/zinc/76/76/72/1166767672.db2.gz PXRCSHCREZZRHZ-DTWKUNHWSA-N -1 1 303.326 0.543 20 0 DCADMM CC1(C)[C@H](O)C[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590077845 1166767677 /nfs/dbraw/zinc/76/76/77/1166767677.db2.gz PXRCSHCREZZRHZ-DTWKUNHWSA-N -1 1 303.326 0.543 20 0 DCADMM CC1(C)C[C@@H](Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)C(C)(C)O1 ZINC001590079818 1166767772 /nfs/dbraw/zinc/76/77/72/1166767772.db2.gz KGWNPOZOPCVMRW-QMMMGPOBSA-N -1 1 320.353 0.723 20 0 DCADMM CC1(C)CC2(CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)CO1 ZINC001590087881 1166771247 /nfs/dbraw/zinc/77/12/47/1166771247.db2.gz NQFGLRWWUUKWQW-UHFFFAOYSA-N -1 1 301.354 0.838 20 0 DCADMM CC1(C)CC[C@@H](NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590090632 1166771838 /nfs/dbraw/zinc/77/18/38/1166771838.db2.gz OOFSINCXZBXXMC-SECBINFHSA-N -1 1 319.373 0.336 20 0 DCADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@]2(CCOC2)O1 ZINC001590107747 1166776146 /nfs/dbraw/zinc/77/61/46/1166776146.db2.gz BCDYDABBPWFKIX-CQSZACIVSA-N -1 1 317.353 0.431 20 0 DCADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@]2(CCOC2)O1 ZINC001590107747 1166776155 /nfs/dbraw/zinc/77/61/55/1166776155.db2.gz BCDYDABBPWFKIX-CQSZACIVSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@]1(NC(=O)C2CC2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590143621 1166788513 /nfs/dbraw/zinc/78/85/13/1166788513.db2.gz LLQUEEICBNRBBF-AWEZNQCLSA-N -1 1 314.353 0.152 20 0 DCADMM C[C@]1(NC(=O)C2CC2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590143621 1166788522 /nfs/dbraw/zinc/78/85/22/1166788522.db2.gz LLQUEEICBNRBBF-AWEZNQCLSA-N -1 1 314.353 0.152 20 0 DCADMM C[C@@H]1[C@H](C)N(C(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](C)C(=O)N1C ZINC001590166729 1166796790 /nfs/dbraw/zinc/79/67/90/1166796790.db2.gz GVYQKXNINPFFNG-VGMNWLOBSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1[C@H](C)N(C(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](C)C(=O)N1C ZINC001590166729 1166796796 /nfs/dbraw/zinc/79/67/96/1166796796.db2.gz GVYQKXNINPFFNG-VGMNWLOBSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H](C)O1 ZINC001590192411 1166805650 /nfs/dbraw/zinc/80/56/50/1166805650.db2.gz DBHJNCFZOQBJHO-BBBLOLIVSA-N -1 1 302.338 0.805 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H](C)O1 ZINC001590192411 1166805654 /nfs/dbraw/zinc/80/56/54/1166805654.db2.gz DBHJNCFZOQBJHO-BBBLOLIVSA-N -1 1 302.338 0.805 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001590216349 1166814925 /nfs/dbraw/zinc/81/49/25/1166814925.db2.gz OQYBACSFYVXKFQ-RKDXNWHRSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001590216349 1166814931 /nfs/dbraw/zinc/81/49/31/1166814931.db2.gz OQYBACSFYVXKFQ-RKDXNWHRSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@@H](C(=O)NCC1CCC(C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001590228405 1166819917 /nfs/dbraw/zinc/81/99/17/1166819917.db2.gz GPLCHPJUKRLIRZ-YVNMAJEFSA-N -1 1 318.385 0.962 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2ncncc2-c2nn[n-]n2)CS1(=O)=O ZINC001590240735 1166825442 /nfs/dbraw/zinc/82/54/42/1166825442.db2.gz UGIWZGNPPOCVCQ-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CCCC[C@H]1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590255927 1166826242 /nfs/dbraw/zinc/82/62/42/1166826242.db2.gz XCIYRGCKZAUYDA-VHSXEESVSA-N -1 1 319.373 0.336 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C[C@@H]1CO ZINC001590268369 1166832136 /nfs/dbraw/zinc/83/21/36/1166832136.db2.gz WVRXXXHVBGQYGH-NXEZZACHSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C[C@@H]1CO ZINC001590268369 1166832140 /nfs/dbraw/zinc/83/21/40/1166832140.db2.gz WVRXXXHVBGQYGH-NXEZZACHSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@H]1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001590298388 1166845058 /nfs/dbraw/zinc/84/50/58/1166845058.db2.gz WDXGINKUZPKWJS-QUBYGPBYSA-N -1 1 309.276 0.598 20 0 DCADMM C[C@H]1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C[C@H]1O ZINC001590298388 1166845062 /nfs/dbraw/zinc/84/50/62/1166845062.db2.gz WDXGINKUZPKWJS-QUBYGPBYSA-N -1 1 309.276 0.598 20 0 DCADMM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590323152 1166864873 /nfs/dbraw/zinc/86/48/73/1166864873.db2.gz LLNDNIRQIZUKPB-HTQZYQBOSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590323152 1166864883 /nfs/dbraw/zinc/86/48/83/1166864883.db2.gz LLNDNIRQIZUKPB-HTQZYQBOSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1Cc2ccccc2N1C(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001590331277 1166867610 /nfs/dbraw/zinc/86/76/10/1166867610.db2.gz JSLQAHOVWMKKKV-VIFPVBQESA-N -1 1 310.321 0.436 20 0 DCADMM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590331344 1166868856 /nfs/dbraw/zinc/86/88/56/1166868856.db2.gz MDMLRNLHVVBMPL-RNJXMRFFSA-N -1 1 320.378 0.666 20 0 DCADMM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590331344 1166868862 /nfs/dbraw/zinc/86/88/62/1166868862.db2.gz MDMLRNLHVVBMPL-RNJXMRFFSA-N -1 1 320.378 0.666 20 0 DCADMM C[C@@H]1OCC[C@]1(C)NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590334118 1166874887 /nfs/dbraw/zinc/87/48/87/1166874887.db2.gz ORHKUDWHSTUTNN-UFBFGSQYSA-N -1 1 324.366 0.108 20 0 DCADMM C/C=C(/C)C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590347325 1166880148 /nfs/dbraw/zinc/88/01/48/1166880148.db2.gz OWPFDYPXBKQEPE-DAGBOUIGSA-N -1 1 316.369 0.848 20 0 DCADMM C/C=C(/C)C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590347325 1166880150 /nfs/dbraw/zinc/88/01/50/1166880150.db2.gz OWPFDYPXBKQEPE-DAGBOUIGSA-N -1 1 316.369 0.848 20 0 DCADMM CCC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001590361975 1166886888 /nfs/dbraw/zinc/88/68/88/1166886888.db2.gz VALNCZDBVLOEHU-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM CCC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001590361975 1166886895 /nfs/dbraw/zinc/88/68/95/1166886895.db2.gz VALNCZDBVLOEHU-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM CCC(=O)N[C@H](C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001590363523 1166888107 /nfs/dbraw/zinc/88/81/07/1166888107.db2.gz GFEHMTZRLZKYNT-BDAKNGLRSA-N -1 1 304.358 0.762 20 0 DCADMM CCC(=O)N[C@H](C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001590363523 1166888112 /nfs/dbraw/zinc/88/81/12/1166888112.db2.gz GFEHMTZRLZKYNT-BDAKNGLRSA-N -1 1 304.358 0.762 20 0 DCADMM CCC(C)(C)CCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590375558 1166891810 /nfs/dbraw/zinc/89/18/10/1166891810.db2.gz MNVVKGMHMWHIFQ-UHFFFAOYSA-N -1 1 321.385 0.502 20 0 DCADMM CC[C@](C)(CO)NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590381074 1166894639 /nfs/dbraw/zinc/89/46/39/1166894639.db2.gz ICSNBXSENSYZJS-LLVKDONJSA-N -1 1 311.371 0.914 20 0 DCADMM CC[C@](C)(CO)NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590381074 1166894661 /nfs/dbraw/zinc/89/46/61/1166894661.db2.gz ICSNBXSENSYZJS-LLVKDONJSA-N -1 1 311.371 0.914 20 0 DCADMM CC/C(C)=C\C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590387445 1166894865 /nfs/dbraw/zinc/89/48/65/1166894865.db2.gz BIVOVFZTDICLNC-RNKPRXRFSA-N -1 1 316.369 0.352 20 0 DCADMM CC/C(C)=C/C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590385927 1166894877 /nfs/dbraw/zinc/89/48/77/1166894877.db2.gz UQVAHORGTCUSLQ-JXMROGBWSA-N -1 1 316.369 0.883 20 0 DCADMM CC/C(C)=C/C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590385927 1166894880 /nfs/dbraw/zinc/89/48/80/1166894880.db2.gz UQVAHORGTCUSLQ-JXMROGBWSA-N -1 1 316.369 0.883 20 0 DCADMM CCC(C)(C)OCCNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590378786 1166895384 /nfs/dbraw/zinc/89/53/84/1166895384.db2.gz KUCATODXMUIRHG-SECBINFHSA-N -1 1 322.373 0.341 20 0 DCADMM CC[C@H](C)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590394979 1166896749 /nfs/dbraw/zinc/89/67/49/1166896749.db2.gz JSFYNPWATSFLIA-LWTINBJPSA-N -1 1 316.369 0.787 20 0 DCADMM CC[C@H](C)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590394979 1166896755 /nfs/dbraw/zinc/89/67/55/1166896755.db2.gz JSFYNPWATSFLIA-LWTINBJPSA-N -1 1 316.369 0.787 20 0 DCADMM CC[C@H](C)N(OC)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590412670 1166900698 /nfs/dbraw/zinc/90/06/98/1166900698.db2.gz QUOXKTMUFKEVKD-ZETCQYMHSA-N -1 1 301.328 0.810 20 0 DCADMM CCC(CC)(CCO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590427271 1166901896 /nfs/dbraw/zinc/90/18/96/1166901896.db2.gz XAUCUVWMCBMOGH-UHFFFAOYSA-N -1 1 304.354 0.933 20 0 DCADMM CCC(CC)(CCO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590427271 1166901901 /nfs/dbraw/zinc/90/19/01/1166901901.db2.gz XAUCUVWMCBMOGH-UHFFFAOYSA-N -1 1 304.354 0.933 20 0 DCADMM CC[C@H](CC(=O)NCCn1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001590423084 1166903870 /nfs/dbraw/zinc/90/38/70/1166903870.db2.gz PIMOKMYOIVJWFY-SNVBAGLBSA-N -1 1 306.374 0.647 20 0 DCADMM CC[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590443872 1166907656 /nfs/dbraw/zinc/90/76/56/1166907656.db2.gz HHOGLGKYBKNRQA-QMMMGPOBSA-N -1 1 304.310 0.191 20 0 DCADMM CC[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)OC ZINC001590443872 1166907657 /nfs/dbraw/zinc/90/76/57/1166907657.db2.gz HHOGLGKYBKNRQA-QMMMGPOBSA-N -1 1 304.310 0.191 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590453623 1166910011 /nfs/dbraw/zinc/91/00/11/1166910011.db2.gz RCRNCCNEWYJZCX-JGVFFNPUSA-N -1 1 308.321 0.321 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590453623 1166910016 /nfs/dbraw/zinc/91/00/16/1166910016.db2.gz RCRNCCNEWYJZCX-JGVFFNPUSA-N -1 1 308.321 0.321 20 0 DCADMM CCC(O)(CC)CCNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590473777 1166920024 /nfs/dbraw/zinc/92/00/24/1166920024.db2.gz UKLPCTITMZTEGW-UHFFFAOYSA-N -1 1 304.354 0.933 20 0 DCADMM CCC(O)(CC)CCNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590473777 1166920029 /nfs/dbraw/zinc/92/00/29/1166920029.db2.gz UKLPCTITMZTEGW-UHFFFAOYSA-N -1 1 304.354 0.933 20 0 DCADMM CCC1(O)CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590500200 1166924943 /nfs/dbraw/zinc/92/49/43/1166924943.db2.gz QSIIFLBHIJQVKJ-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM CCC1(O)CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590500200 1166924944 /nfs/dbraw/zinc/92/49/44/1166924944.db2.gz QSIIFLBHIJQVKJ-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM CC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@]2(CCOC2)O1 ZINC001590524030 1166934524 /nfs/dbraw/zinc/93/45/24/1166934524.db2.gz MWQRYVHILMOVBF-QMTHXVAHSA-N -1 1 317.353 0.431 20 0 DCADMM CC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@]2(CCOC2)O1 ZINC001590524030 1166934533 /nfs/dbraw/zinc/93/45/33/1166934533.db2.gz MWQRYVHILMOVBF-QMTHXVAHSA-N -1 1 317.353 0.431 20 0 DCADMM CC/C=C(\C)C(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001590536060 1166936251 /nfs/dbraw/zinc/93/62/51/1166936251.db2.gz UNISGXBOJKYUDB-RUDMXATFSA-N -1 1 302.342 0.541 20 0 DCADMM CC/C=C(\C)C(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001590536060 1166936256 /nfs/dbraw/zinc/93/62/56/1166936256.db2.gz 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1166940540 /nfs/dbraw/zinc/94/05/40/1166940540.db2.gz XHDOJZGRFOWGNR-SECBINFHSA-N -1 1 304.358 0.682 20 0 DCADMM CCC[C@@H](C)CCNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590549300 1166941811 /nfs/dbraw/zinc/94/18/11/1166941811.db2.gz DIQUWUXLDBLWRC-ZJUUUORDSA-N -1 1 306.374 0.962 20 0 DCADMM CCC[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)OCC ZINC001590557952 1166942984 /nfs/dbraw/zinc/94/29/84/1166942984.db2.gz VMAUAAPQSZHXSQ-QMMMGPOBSA-N -1 1 323.357 0.283 20 0 DCADMM CCC[C@@H]1SCCN1C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590569502 1166946030 /nfs/dbraw/zinc/94/60/30/1166946030.db2.gz SFSKPNISJMFGNQ-IUCAKERBSA-N -1 1 322.398 0.721 20 0 DCADMM CCCCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590597784 1166949728 /nfs/dbraw/zinc/94/97/28/1166949728.db2.gz DTLHNHKICVVZCV-UHFFFAOYSA-N -1 1 303.326 0.507 20 0 DCADMM CCCCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590597784 1166949730 /nfs/dbraw/zinc/94/97/30/1166949730.db2.gz DTLHNHKICVVZCV-UHFFFAOYSA-N -1 1 303.326 0.507 20 0 DCADMM CCCN(CC(=O)N(C)C)c1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590620900 1166952403 /nfs/dbraw/zinc/95/24/03/1166952403.db2.gz TVTCWBJCYATAJM-UHFFFAOYSA-N -1 1 303.370 0.875 20 0 DCADMM CCCN(CC(=O)N(C)C)c1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590620900 1166952410 /nfs/dbraw/zinc/95/24/10/1166952410.db2.gz TVTCWBJCYATAJM-UHFFFAOYSA-N -1 1 303.370 0.875 20 0 DCADMM CCCNC(=O)[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590634480 1166953537 /nfs/dbraw/zinc/95/35/37/1166953537.db2.gz HMDVBSYEJZTEIC-MRVPVSSYSA-N -1 1 318.341 0.298 20 0 DCADMM CCCNC(=O)[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590634480 1166953545 /nfs/dbraw/zinc/95/35/45/1166953545.db2.gz HMDVBSYEJZTEIC-MRVPVSSYSA-N -1 1 318.341 0.298 20 0 DCADMM CCCNC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590637820 1166958110 /nfs/dbraw/zinc/95/81/10/1166958110.db2.gz GXEXPSGOVLXOKD-UHFFFAOYSA-N -1 1 316.369 0.503 20 0 DCADMM CCCNC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590637820 1166958119 /nfs/dbraw/zinc/95/81/19/1166958119.db2.gz 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1166988667 /nfs/dbraw/zinc/98/86/67/1166988667.db2.gz DULBRWDVWRCFIX-SECBINFHSA-N -1 1 305.294 0.546 20 0 DCADMM CCOC(=O)[C@H](F)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590753559 1167005627 /nfs/dbraw/zinc/00/56/27/1167005627.db2.gz MSIIHZPTUZREMR-RKDXNWHRSA-N -1 1 321.316 0.384 20 0 DCADMM CCOC(=O)[C@H](F)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590753559 1167005630 /nfs/dbraw/zinc/00/56/30/1167005630.db2.gz MSIIHZPTUZREMR-RKDXNWHRSA-N -1 1 321.316 0.384 20 0 DCADMM CCOC(=O)N1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590768830 1167012970 /nfs/dbraw/zinc/01/29/70/1167012970.db2.gz ZZACUVLHKVRLGZ-UHFFFAOYSA-N -1 1 303.326 0.540 20 0 DCADMM CCOC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590768830 1167012972 /nfs/dbraw/zinc/01/29/72/1167012972.db2.gz ZZACUVLHKVRLGZ-UHFFFAOYSA-N -1 1 303.326 0.540 20 0 DCADMM CCOC(=O)N1CCN(Cc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590768660 1167013062 /nfs/dbraw/zinc/01/30/62/1167013062.db2.gz VAVKLFPHCCIEAD-UHFFFAOYSA-N -1 1 317.353 0.536 20 0 DCADMM CCOC(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590768660 1167013065 /nfs/dbraw/zinc/01/30/65/1167013065.db2.gz VAVKLFPHCCIEAD-UHFFFAOYSA-N -1 1 317.353 0.536 20 0 DCADMM CCOC(=O)NCCOC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590766919 1167013072 /nfs/dbraw/zinc/01/30/72/1167013072.db2.gz BVLZEEGPXVCSGF-UHFFFAOYSA-N -1 1 306.282 0.165 20 0 DCADMM CCOC(=O)NCCOC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590766919 1167013074 /nfs/dbraw/zinc/01/30/74/1167013074.db2.gz BVLZEEGPXVCSGF-UHFFFAOYSA-N -1 1 306.282 0.165 20 0 DCADMM CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001590770494 1167017048 /nfs/dbraw/zinc/01/70/48/1167017048.db2.gz GOSWPJISUOUFLR-JGVFFNPUSA-N -1 1 319.325 0.508 20 0 DCADMM CCOC(=O)c1cnn(C/C=C(\C)C(=O)OC)c1-c1nn[n-]n1 ZINC001590775253 1167017081 /nfs/dbraw/zinc/01/70/81/1167017081.db2.gz CKDGHULLLBWPCB-VMPITWQZSA-N -1 1 320.309 0.359 20 0 DCADMM CCOC(=O)c1cnn(COC(=O)C(C)(C)C)c1-c1nnn[n-]1 ZINC001590775422 1167017142 /nfs/dbraw/zinc/01/71/42/1167017142.db2.gz 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ZINC001590867568 1167041769 /nfs/dbraw/zinc/04/17/69/1167041769.db2.gz GDZCCONFSKMCAF-RCOVLWMOSA-N -1 1 308.367 0.558 20 0 DCADMM CCc1cccnc1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590899497 1167042477 /nfs/dbraw/zinc/04/24/77/1167042477.db2.gz GFGUGLQVTJNCGB-MRVPVSSYSA-N -1 1 313.325 0.615 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCC(=O)N(C)C2)n1 ZINC001590903762 1167042499 /nfs/dbraw/zinc/04/24/99/1167042499.db2.gz NJFMDOLRXLRKSE-VIFPVBQESA-N -1 1 316.369 0.276 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCC(=O)N(C)C2)n1 ZINC001590903762 1167042502 /nfs/dbraw/zinc/04/25/02/1167042502.db2.gz NJFMDOLRXLRKSE-VIFPVBQESA-N -1 1 316.369 0.276 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2C(=O)N(C)C)n1 ZINC001590907023 1167045596 /nfs/dbraw/zinc/04/55/96/1167045596.db2.gz CHFLQZIVCLIJLQ-JTQLQIEISA-N -1 1 316.369 0.276 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2C(=O)N(C)C)n1 ZINC001590907023 1167045599 /nfs/dbraw/zinc/04/55/99/1167045599.db2.gz CHFLQZIVCLIJLQ-JTQLQIEISA-N -1 1 316.369 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/nfs/dbraw/zinc/04/67/00/1167046700.db2.gz ASDWRUVEXJHJON-UHFFFAOYSA-N -1 1 301.354 0.978 20 0 DCADMM CCc1nc(N[C@H](CO)[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001590915860 1167049697 /nfs/dbraw/zinc/04/96/97/1167049697.db2.gz SKYRSKHBVJNHSI-PSASIEDQSA-N -1 1 305.342 0.028 20 0 DCADMM CCc1nc(N[C@H](CO)[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001590915860 1167049701 /nfs/dbraw/zinc/04/97/01/1167049701.db2.gz SKYRSKHBVJNHSI-PSASIEDQSA-N -1 1 305.342 0.028 20 0 DCADMM CCc1nc(Oc2cncc(C(N)=O)c2)cc(-c2nnn[n-]2)n1 ZINC001590925688 1167051445 /nfs/dbraw/zinc/05/14/45/1167051445.db2.gz SLHCVTGICAWRJU-UHFFFAOYSA-N -1 1 312.293 0.505 20 0 DCADMM CCc1nc(Oc2cncc(C(N)=O)c2)cc(-c2nn[n-]n2)n1 ZINC001590925688 1167051450 /nfs/dbraw/zinc/05/14/50/1167051450.db2.gz SLHCVTGICAWRJU-UHFFFAOYSA-N -1 1 312.293 0.505 20 0 DCADMM CCc1nc(N[C@H]2CCC3(C2)OCCO3)cc(-c2nnn[n-]2)n1 ZINC001590917726 1167051706 /nfs/dbraw/zinc/05/17/06/1167051706.db2.gz XILLIQWXRUCXSK-VIFPVBQESA-N -1 1 317.353 0.927 20 0 DCADMM CCc1nc(N[C@H]2CCC3(C2)OCCO3)cc(-c2nn[n-]n2)n1 ZINC001590917726 1167051711 /nfs/dbraw/zinc/05/17/11/1167051711.db2.gz XILLIQWXRUCXSK-VIFPVBQESA-N -1 1 317.353 0.927 20 0 DCADMM CCc1nn(CC(=O)[C@H]2C[C@@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929570 1167053156 /nfs/dbraw/zinc/05/31/56/1167053156.db2.gz WXCKQWTVOGKYLG-WPRPVWTQSA-N -1 1 316.365 0.773 20 0 DCADMM CCn1cc(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)cn1 ZINC001590953320 1167058313 /nfs/dbraw/zinc/05/83/13/1167058313.db2.gz GMZRQCHBXXEEHK-UHFFFAOYSA-N -1 1 304.339 0.721 20 0 DCADMM CCn1cc(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)cn1 ZINC001590953320 1167058320 /nfs/dbraw/zinc/05/83/20/1167058320.db2.gz GMZRQCHBXXEEHK-UHFFFAOYSA-N -1 1 304.339 0.721 20 0 DCADMM CCn1cc(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)nn1 ZINC001590953158 1167059320 /nfs/dbraw/zinc/05/93/20/1167059320.db2.gz BYZUNUIJLJNCCF-UHFFFAOYSA-N -1 1 305.327 0.116 20 0 DCADMM CCn1cc(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)nn1 ZINC001590953158 1167059324 /nfs/dbraw/zinc/05/93/24/1167059324.db2.gz 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VVHWZQZVKRWLQO-UHFFFAOYSA-N -1 1 302.338 0.968 20 0 DCADMM COCCCOCCC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001591417280 1167275240 /nfs/dbraw/zinc/27/52/40/1167275240.db2.gz RRRZWJPESSLKGL-UHFFFAOYSA-N -1 1 323.357 0.290 20 0 DCADMM COCCCOCCC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001591417280 1167275247 /nfs/dbraw/zinc/27/52/47/1167275247.db2.gz RRRZWJPESSLKGL-UHFFFAOYSA-N -1 1 323.357 0.290 20 0 DCADMM COCCOCCN(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591438413 1167288487 /nfs/dbraw/zinc/28/84/87/1167288487.db2.gz OVYYZSNUFZJQOR-UHFFFAOYSA-N -1 1 311.367 0.663 20 0 DCADMM COC[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591453152 1167292128 /nfs/dbraw/zinc/29/21/28/1167292128.db2.gz OFDACYALDYJDNX-DTORHVGOSA-N -1 1 303.326 0.808 20 0 DCADMM COC[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591453152 1167292136 /nfs/dbraw/zinc/29/21/36/1167292136.db2.gz OFDACYALDYJDNX-DTORHVGOSA-N -1 1 303.326 0.808 20 0 DCADMM CON1CC[C@@H](OC(=O)c2csc(-c3nnn[n-]3)c2)C1=O ZINC001591468128 1167300585 /nfs/dbraw/zinc/30/05/85/1167300585.db2.gz GVTRALXISDKPAO-SSDOTTSWSA-N -1 1 309.307 0.247 20 0 DCADMM CON1CC[C@@H](OC(=O)c2csc(-c3nn[n-]n3)c2)C1=O ZINC001591468128 1167300588 /nfs/dbraw/zinc/30/05/88/1167300588.db2.gz GVTRALXISDKPAO-SSDOTTSWSA-N -1 1 309.307 0.247 20 0 DCADMM COc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1C ZINC001591516679 1167319705 /nfs/dbraw/zinc/31/97/05/1167319705.db2.gz IYEJPNQFWHRNCD-UHFFFAOYSA-N -1 1 315.293 0.567 20 0 DCADMM COc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)n(C)n1 ZINC001591541483 1167328037 /nfs/dbraw/zinc/32/80/37/1167328037.db2.gz SOTVUDDJHPGXDO-UHFFFAOYSA-N -1 1 318.297 0.086 20 0 DCADMM COc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)n(C)n1 ZINC001591541483 1167328044 /nfs/dbraw/zinc/32/80/44/1167328044.db2.gz SOTVUDDJHPGXDO-UHFFFAOYSA-N -1 1 318.297 0.086 20 0 DCADMM COc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1F ZINC001591541119 1167329387 /nfs/dbraw/zinc/32/93/87/1167329387.db2.gz JIHWHQVONBOQJG-UHFFFAOYSA-N -1 1 318.272 0.245 20 0 DCADMM C[C@@H]1CC[C@H](O)CN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591734877 1167363796 /nfs/dbraw/zinc/36/37/96/1167363796.db2.gz GEDLZQDKXADUMT-SCZZXKLOSA-N -1 1 301.354 0.884 20 0 DCADMM C[C@@H]1CC[C@H](O)CN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591734877 1167363803 /nfs/dbraw/zinc/36/38/03/1167363803.db2.gz GEDLZQDKXADUMT-SCZZXKLOSA-N -1 1 301.354 0.884 20 0 DCADMM C[C@H]1C[C@@H](O)CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591774670 1167374318 /nfs/dbraw/zinc/37/43/18/1167374318.db2.gz JROJBXTVXZFJSH-GXSJLCMTSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1C[C@@H](O)CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591774670 1167374324 /nfs/dbraw/zinc/37/43/24/1167374324.db2.gz JROJBXTVXZFJSH-GXSJLCMTSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@@]12COC[C@]1(C)CN(Cn1cccc(-c3nn[n-]n3)c1=O)C2 ZINC001591781116 1167377352 /nfs/dbraw/zinc/37/73/52/1167377352.db2.gz ZRUJUHVJYIHWOF-GASCZTMLSA-N -1 1 316.365 0.344 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@@H]2C[C@H]3C[C@H]3C2)c(=O)n1C ZINC001591794011 1167381353 /nfs/dbraw/zinc/38/13/53/1167381353.db2.gz UJHFNHIRNCONTI-ILWJIGKKSA-N -1 1 302.338 0.082 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NOC/C=C\Cl ZINC001591835495 1167390485 /nfs/dbraw/zinc/39/04/85/1167390485.db2.gz IWOBTNWWZCDLNZ-IHWYPQMZSA-N -1 1 310.701 0.690 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H]1CCSC1 ZINC001591835693 1167391157 /nfs/dbraw/zinc/39/11/57/1167391157.db2.gz INPLGJYGVMUBDD-MRVPVSSYSA-N -1 1 320.378 0.759 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N(C(C)C)C(C)C)c1 ZINC001591836451 1167391527 /nfs/dbraw/zinc/39/15/27/1167391527.db2.gz UUEXOHBYUUOBKJ-UHFFFAOYSA-N -1 1 318.381 0.982 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H](C)C(=O)NC(C)(C)C)n1 ZINC001591883104 1167408659 /nfs/dbraw/zinc/40/86/59/1167408659.db2.gz SOAGZYLOPTZZKK-VIFPVBQESA-N -1 1 318.385 0.705 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H](C)C(=O)NC(C)(C)C)n1 ZINC001591883104 1167408662 /nfs/dbraw/zinc/40/86/62/1167408662.db2.gz SOAGZYLOPTZZKK-VIFPVBQESA-N -1 1 318.385 0.705 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCn3c(nnc3C3CC3)C2)n1 ZINC001591888881 1167411779 /nfs/dbraw/zinc/41/17/79/1167411779.db2.gz OZLOTFDOYVAQBH-UHFFFAOYSA-N -1 1 324.352 0.454 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCn3c(nnc3C3CC3)C2)n1 ZINC001591888881 1167411782 /nfs/dbraw/zinc/41/17/82/1167411782.db2.gz OZLOTFDOYVAQBH-UHFFFAOYSA-N -1 1 324.352 0.454 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](N3CCOC3=O)C2)c1 ZINC001591886592 1167411807 /nfs/dbraw/zinc/41/18/07/1167411807.db2.gz OQXLUDAYEOXBQP-SNVBAGLBSA-N -1 1 315.337 0.601 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](N3CCOC3=O)C2)c1 ZINC001591886592 1167411809 /nfs/dbraw/zinc/41/18/09/1167411809.db2.gz OQXLUDAYEOXBQP-SNVBAGLBSA-N -1 1 315.337 0.601 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](CC(N)=O)C2)c1 ZINC001591888124 1167411873 /nfs/dbraw/zinc/41/18/73/1167411873.db2.gz DZBZWLSTJVDLSG-SNVBAGLBSA-N -1 1 301.354 0.662 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](CC(N)=O)C2)c1 ZINC001591888124 1167411875 /nfs/dbraw/zinc/41/18/75/1167411875.db2.gz DZBZWLSTJVDLSG-SNVBAGLBSA-N -1 1 301.354 0.662 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(c3ccccc3)C2=O)n1 ZINC001591893385 1167413119 /nfs/dbraw/zinc/41/31/19/1167413119.db2.gz DSGDCHXERXFFSO-GFCCVEGCSA-N -1 1 322.332 0.792 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(c3ccccc3)C2=O)n1 ZINC001591893385 1167413122 /nfs/dbraw/zinc/41/31/22/1167413122.db2.gz DSGDCHXERXFFSO-GFCCVEGCSA-N -1 1 322.332 0.792 20 0 DCADMM Cc1cc(N[C@H](CO)[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592035743 1167441865 /nfs/dbraw/zinc/44/18/65/1167441865.db2.gz SCLSFJBPOUGXJC-GXFFZTMASA-N -1 1 304.354 0.191 20 0 DCADMM Cc1cc(N[C@H](CO)[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592035743 1167441869 /nfs/dbraw/zinc/44/18/69/1167441869.db2.gz SCLSFJBPOUGXJC-GXFFZTMASA-N -1 1 304.354 0.191 20 0 DCADMM Cc1cc(NCCS(=O)(=O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001592050374 1167446522 /nfs/dbraw/zinc/44/65/22/1167446522.db2.gz NWSMXGABWWFHGJ-UHFFFAOYSA-N -1 1 310.383 0.805 20 0 DCADMM Cc1cc(NCCS(=O)(=O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001592050374 1167446526 /nfs/dbraw/zinc/44/65/26/1167446526.db2.gz NWSMXGABWWFHGJ-UHFFFAOYSA-N -1 1 310.383 0.805 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCC[C@]1(O)CCCOC1 ZINC001592114317 1167459363 /nfs/dbraw/zinc/45/93/63/1167459363.db2.gz NZYISLFMSHAMRD-CQSZACIVSA-N -1 1 304.354 0.914 20 0 DCADMM Cc1ccc(C[C@@H](CO)Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592147751 1167462922 /nfs/dbraw/zinc/46/29/22/1167462922.db2.gz GAQDJMPZNPYKSU-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccc(C[C@@H](CO)Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592147751 1167462931 /nfs/dbraw/zinc/46/29/31/1167462931.db2.gz GAQDJMPZNPYKSU-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccc(N2CCO[C@@H]([C@@H]3CCCO3)C2)nc1-c1nnn[n-]1 ZINC001592175094 1167467847 /nfs/dbraw/zinc/46/78/47/1167467847.db2.gz GRWQCKVQTNQHTQ-NWDGAFQWSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@@H]([C@@H]3CCCO3)C2)nc1-c1nn[n-]n1 ZINC001592175094 1167467849 /nfs/dbraw/zinc/46/78/49/1167467849.db2.gz GRWQCKVQTNQHTQ-NWDGAFQWSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)nc1Cl ZINC001592172137 1167468520 /nfs/dbraw/zinc/46/85/20/1167468520.db2.gz XRJLGENXUNPNST-UHFFFAOYSA-N -1 1 319.712 0.534 20 0 DCADMM Cc1ccc(NCC2(C(N)=O)CCOCC2)nc1-c1nnn[n-]1 ZINC001592183052 1167470359 /nfs/dbraw/zinc/47/03/59/1167470359.db2.gz KDYFVKDWOJIIQQ-UHFFFAOYSA-N -1 1 317.353 0.264 20 0 DCADMM Cc1ccc(NCC2(C(N)=O)CCOCC2)nc1-c1nn[n-]n1 ZINC001592183052 1167470360 /nfs/dbraw/zinc/47/03/60/1167470360.db2.gz KDYFVKDWOJIIQQ-UHFFFAOYSA-N -1 1 317.353 0.264 20 0 DCADMM Cc1ccc(NC[C@@H](CO)[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592183556 1167471429 /nfs/dbraw/zinc/47/14/29/1167471429.db2.gz UATRYVIVRNCFPX-QWRGUYRKSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(NC[C@@H](CO)[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592183556 1167471435 /nfs/dbraw/zinc/47/14/35/1167471435.db2.gz UATRYVIVRNCFPX-QWRGUYRKSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(N[C@@H](CO)C[C@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001592183609 1167471618 /nfs/dbraw/zinc/47/16/18/1167471618.db2.gz GPNLRWBPHAWPLS-GHMZBOCLSA-N -1 1 304.354 0.912 20 0 DCADMM Cc1ccc(N[C@@H](CO)C[C@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592183609 1167471623 /nfs/dbraw/zinc/47/16/23/1167471623.db2.gz GPNLRWBPHAWPLS-GHMZBOCLSA-N -1 1 304.354 0.912 20 0 DCADMM Cc1ccc(O)c(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592185995 1167473220 /nfs/dbraw/zinc/47/32/20/1167473220.db2.gz DVQJGSMRTBYNNX-UHFFFAOYSA-N -1 1 311.305 0.852 20 0 DCADMM Cc1cccc(C)c1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592225411 1167479273 /nfs/dbraw/zinc/47/92/73/1167479273.db2.gz RVTFQPCDPUVORD-UHFFFAOYSA-N -1 1 312.337 0.505 20 0 DCADMM Cc1ccn2cc(C(=O)n3ncc(-c4nn[n-]n4)c3N)nc2c1 ZINC001592268453 1167480253 /nfs/dbraw/zinc/48/02/53/1167480253.db2.gz BDFHKZZDJJZWQD-UHFFFAOYSA-N -1 1 309.293 0.290 20 0 DCADMM Cc1ccnc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)n1 ZINC001592269681 1167480311 /nfs/dbraw/zinc/48/03/11/1167480311.db2.gz ZXCSBSRGPHPVSV-UHFFFAOYSA-N -1 1 311.309 0.818 20 0 DCADMM Cc1nc(-c2nn[n-]n2)c(N2NC(=O)[C@](C)(C(C)C)CC2=O)o1 ZINC001592336824 1167493486 /nfs/dbraw/zinc/49/34/86/1167493486.db2.gz CDJCVDDHDRXBFF-ZDUSSCGKSA-N -1 1 319.325 0.593 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC(CCCO)CC2)n1 ZINC001592337540 1167494147 /nfs/dbraw/zinc/49/41/47/1167494147.db2.gz JRXNLUBSZMXUAP-UHFFFAOYSA-N -1 1 303.370 0.954 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC(CCCO)CC2)n1 ZINC001592337540 1167494151 /nfs/dbraw/zinc/49/41/51/1167494151.db2.gz JRXNLUBSZMXUAP-UHFFFAOYSA-N -1 1 303.370 0.954 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@@]3(CCO[C@@H]3C)C2)n1 ZINC001592341669 1167495257 /nfs/dbraw/zinc/49/52/57/1167495257.db2.gz ZIZDJVBZTFNIIC-OTYXRUKQSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@@]3(CCO[C@@H]3C)C2)n1 ZINC001592341669 1167495264 /nfs/dbraw/zinc/49/52/64/1167495264.db2.gz ZIZDJVBZTFNIIC-OTYXRUKQSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nccnc1CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592419302 1167517254 /nfs/dbraw/zinc/51/72/54/1167517254.db2.gz APYLTKXCCFTVEA-UHFFFAOYSA-N -1 1 310.321 0.333 20 0 DCADMM Cc1nccnc1CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592419302 1167517261 /nfs/dbraw/zinc/51/72/61/1167517261.db2.gz APYLTKXCCFTVEA-UHFFFAOYSA-N -1 1 310.321 0.333 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001592428630 1167520098 /nfs/dbraw/zinc/52/00/98/1167520098.db2.gz KMARLKXHMZJXPC-SNVBAGLBSA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001592428630 1167520102 /nfs/dbraw/zinc/52/01/02/1167520102.db2.gz KMARLKXHMZJXPC-SNVBAGLBSA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nn(C)c2ncc(C(=O)Nc3c[nH]nc3-c3nn[n-]n3)cc12 ZINC001592431720 1167520624 /nfs/dbraw/zinc/52/06/24/1167520624.db2.gz DPFJYGMAUQYLAP-UHFFFAOYSA-N -1 1 324.308 0.432 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cccnc2F)c1-c1nnn[n-]1 ZINC001592433319 1167520897 /nfs/dbraw/zinc/52/08/97/1167520897.db2.gz ZCDURHUJTKGAFD-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cccnc2F)c1-c1nn[n-]n1 ZINC001592433319 1167520904 /nfs/dbraw/zinc/52/09/04/1167520904.db2.gz ZCDURHUJTKGAFD-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ccncc2F)c1-c1nnn[n-]1 ZINC001592433017 1167521249 /nfs/dbraw/zinc/52/12/49/1167521249.db2.gz QJFFQDZJWODYKR-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ccncc2F)c1-c1nn[n-]n1 ZINC001592433017 1167521253 /nfs/dbraw/zinc/52/12/53/1167521253.db2.gz QJFFQDZJWODYKR-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1nn(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(C)c1Cl ZINC001592438457 1167523077 /nfs/dbraw/zinc/52/30/77/1167523077.db2.gz AZXVMSPZXAKORL-UHFFFAOYSA-N -1 1 321.732 0.695 20 0 DCADMM Cc1nn(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(C)c1Cl ZINC001592438457 1167523084 /nfs/dbraw/zinc/52/30/84/1167523084.db2.gz AZXVMSPZXAKORL-UHFFFAOYSA-N -1 1 321.732 0.695 20 0 DCADMM Cc1nsc(N2CC(OC(=O)NC(C)C)C2)c1-c1nn[n-]n1 ZINC001592472282 1167532389 /nfs/dbraw/zinc/53/23/89/1167532389.db2.gz YSXSISOUNZIXKF-UHFFFAOYSA-N -1 1 323.382 0.955 20 0 DCADMM Cc1noc(CCCNC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592462298 1167532469 /nfs/dbraw/zinc/53/24/69/1167532469.db2.gz AACVENWHGPWQBA-UHFFFAOYSA-N -1 1 314.309 0.316 20 0 DCADMM Cc1noc(CCCNC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592462298 1167532477 /nfs/dbraw/zinc/53/24/77/1167532477.db2.gz AACVENWHGPWQBA-UHFFFAOYSA-N -1 1 314.309 0.316 20 0 DCADMM Cc1nsc(NC(=O)[C@@]2(C)CCNC(=O)C2)c1-c1nnn[n-]1 ZINC001592478340 1167535744 /nfs/dbraw/zinc/53/57/44/1167535744.db2.gz CAANRYDRIMOXJJ-LBPRGKRZSA-N -1 1 321.366 0.486 20 0 DCADMM Cc1nsc(NC(=O)[C@@]2(C)CCNC(=O)C2)c1-c1nn[n-]n1 ZINC001592478340 1167535748 /nfs/dbraw/zinc/53/57/48/1167535748.db2.gz CAANRYDRIMOXJJ-LBPRGKRZSA-N -1 1 321.366 0.486 20 0 DCADMM Cc1nsc(NCCN2CCNC2=S)c1-c1nn[n-]n1 ZINC001592490303 1167537885 /nfs/dbraw/zinc/53/78/85/1167537885.db2.gz AHGXSBWVLNLBBS-UHFFFAOYSA-N -1 1 310.412 0.234 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2CO[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592481768 1167538234 /nfs/dbraw/zinc/53/82/34/1167538234.db2.gz VTUZIHOURSHHID-IYSWYEEDSA-N -1 1 309.355 0.931 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2CO[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592481768 1167538239 /nfs/dbraw/zinc/53/82/39/1167538239.db2.gz VTUZIHOURSHHID-IYSWYEEDSA-N -1 1 309.355 0.931 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H]1CCN(CCF)C1 ZINC001592500955 1167540687 /nfs/dbraw/zinc/54/06/87/1167540687.db2.gz FVWMJRBNJYXMRQ-VIFPVBQESA-N -1 1 309.301 0.969 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H]1CCN(CCF)C1 ZINC001592500955 1167540689 /nfs/dbraw/zinc/54/06/89/1167540689.db2.gz FVWMJRBNJYXMRQ-VIFPVBQESA-N -1 1 309.301 0.969 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001592502605 1167541438 /nfs/dbraw/zinc/54/14/38/1167541438.db2.gz NSFZFYPCYHVWGE-UIKWRGBMSA-N -1 1 321.337 0.162 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001592502605 1167541444 /nfs/dbraw/zinc/54/14/44/1167541444.db2.gz NSFZFYPCYHVWGE-UIKWRGBMSA-N -1 1 321.337 0.162 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@]1(C)COC(=O)N1 ZINC001592503250 1167543930 /nfs/dbraw/zinc/54/39/30/1167543930.db2.gz DOEXORYPTJRSRV-LBPRGKRZSA-N -1 1 307.266 0.423 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@]1(C)COC(=O)N1 ZINC001592503250 1167543935 /nfs/dbraw/zinc/54/39/35/1167543935.db2.gz DOEXORYPTJRSRV-LBPRGKRZSA-N -1 1 307.266 0.423 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H]2CCO)c1-c1nnn[n-]1 ZINC001592516087 1167544694 /nfs/dbraw/zinc/54/46/94/1167544694.db2.gz RDBZTNZLGJTIQM-SECBINFHSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H]2CCO)c1-c1nn[n-]n1 ZINC001592516087 1167544698 /nfs/dbraw/zinc/54/46/98/1167544698.db2.gz RDBZTNZLGJTIQM-SECBINFHSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)NCCC2CSC2)c1-c1nnn[n-]1 ZINC001592516767 1167547552 /nfs/dbraw/zinc/54/75/52/1167547552.db2.gz HAUVRXGDAOBAEJ-UHFFFAOYSA-N -1 1 308.367 0.575 20 0 DCADMM Cc1onc(CC(=O)NCCC2CSC2)c1-c1nn[n-]n1 ZINC001592516767 1167547561 /nfs/dbraw/zinc/54/75/61/1167547561.db2.gz HAUVRXGDAOBAEJ-UHFFFAOYSA-N -1 1 308.367 0.575 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2COC[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC001592517939 1167547820 /nfs/dbraw/zinc/54/78/20/1167547820.db2.gz YFMZEGSJFSYJFW-ONGXEEELSA-N -1 1 318.337 0.247 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2COC[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC001592517939 1167547824 /nfs/dbraw/zinc/54/78/24/1167547824.db2.gz YFMZEGSJFSYJFW-ONGXEEELSA-N -1 1 318.337 0.247 20 0 DCADMM Cn1c2cc(CNc3ccc(-c4nnn[n-]4)nn3)ccc2oc1=O ZINC001592546171 1167550803 /nfs/dbraw/zinc/55/08/03/1167550803.db2.gz LTLIXGCGEOQZOX-UHFFFAOYSA-N -1 1 324.304 0.714 20 0 DCADMM Cn1c2cc(CNc3ccc(-c4nn[n-]n4)nn3)ccc2oc1=O ZINC001592546171 1167550810 /nfs/dbraw/zinc/55/08/10/1167550810.db2.gz LTLIXGCGEOQZOX-UHFFFAOYSA-N -1 1 324.304 0.714 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(SC2CCCCC2)n(C)c1=O ZINC001592557015 1167558133 /nfs/dbraw/zinc/55/81/33/1167558133.db2.gz VFXUSZKAGVELTO-UHFFFAOYSA-N -1 1 322.394 0.689 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2CCCCC2)n(C)c1=O ZINC001592555401 1167558333 /nfs/dbraw/zinc/55/83/33/1167558333.db2.gz IZEQYGUWBZOHPX-UHFFFAOYSA-N -1 1 319.369 0.256 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)n1 ZINC001592559820 1167560974 /nfs/dbraw/zinc/56/09/74/1167560974.db2.gz KUKCVYRLYGFFSM-NQMVMOMDSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)n1 ZINC001592559820 1167560980 /nfs/dbraw/zinc/56/09/80/1167560980.db2.gz KUKCVYRLYGFFSM-NQMVMOMDSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cccnc2Cl)n1 ZINC001592560167 1167561699 /nfs/dbraw/zinc/56/16/99/1167561699.db2.gz PWNHQUUIKWUSOV-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccnc2Cl)n1 ZINC001592560167 1167561707 /nfs/dbraw/zinc/56/17/07/1167561707.db2.gz PWNHQUUIKWUSOV-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1ccnc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1=O ZINC001592582525 1167570628 /nfs/dbraw/zinc/57/06/28/1167570628.db2.gz SCIZFASIVJWBMX-UHFFFAOYSA-N -1 1 303.307 0.274 20 0 DCADMM Cn1ccnc1[C@H]1N(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001592585129 1167570955 /nfs/dbraw/zinc/57/09/55/1167570955.db2.gz PJILNNUCJICWQK-LLVKDONJSA-N -1 1 311.353 0.978 20 0 DCADMM Cn1ccnc1[C@H]1N(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001592585129 1167570960 /nfs/dbraw/zinc/57/09/60/1167570960.db2.gz PJILNNUCJICWQK-LLVKDONJSA-N -1 1 311.353 0.978 20 0 DCADMM Cn1cncc1Cc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592590298 1167574463 /nfs/dbraw/zinc/57/44/63/1167574463.db2.gz ULSJMCHDQIRBIK-UHFFFAOYSA-N -1 1 309.293 0.636 20 0 DCADMM Cn1ncc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)n1 ZINC001592601288 1167578757 /nfs/dbraw/zinc/57/87/57/1167578757.db2.gz XTQMPABCDKSSQR-UHFFFAOYSA-N -1 1 308.305 0.358 20 0 DCADMM FC(F)COC1CN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001592622738 1167586620 /nfs/dbraw/zinc/58/66/20/1167586620.db2.gz BJYHJJYQXAKRGD-UHFFFAOYSA-N -1 1 302.310 0.789 20 0 DCADMM FC(F)COC1CN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001592622738 1167586624 /nfs/dbraw/zinc/58/66/24/1167586624.db2.gz BJYHJJYQXAKRGD-UHFFFAOYSA-N -1 1 302.310 0.789 20 0 DCADMM NC(=O)C1(NC(=O)c2csc(-c3nn[n-]n3)c2)CCCCC1 ZINC001592717850 1167611244 /nfs/dbraw/zinc/61/12/44/1167611244.db2.gz WBKQHXSOVKSLKJ-UHFFFAOYSA-N -1 1 320.378 0.846 20 0 DCADMM NC(=O)CC1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001592726354 1167615576 /nfs/dbraw/zinc/61/55/76/1167615576.db2.gz TYBKZJCBAFIYLX-UHFFFAOYSA-N -1 1 310.321 0.122 20 0 DCADMM NC(=O)CC1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001592726354 1167615578 /nfs/dbraw/zinc/61/55/78/1167615578.db2.gz TYBKZJCBAFIYLX-UHFFFAOYSA-N -1 1 310.321 0.122 20 0 DCADMM NC(=O)CCc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592728214 1167618563 /nfs/dbraw/zinc/61/85/63/1167618563.db2.gz JMVJHOBEPNTNJE-UHFFFAOYSA-N -1 1 310.321 0.240 20 0 DCADMM NS(=O)(=O)c1cccc(N2CC=CCC2)c1-c1nn[n-]n1 ZINC001592748187 1167629047 /nfs/dbraw/zinc/62/90/47/1167629047.db2.gz IBFPEMCLCLXYTB-UHFFFAOYSA-N -1 1 306.351 0.280 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cnc2cnccc2c1 ZINC001592752760 1167631853 /nfs/dbraw/zinc/63/18/53/1167631853.db2.gz CEVMZDQETTZDMO-UHFFFAOYSA-N -1 1 307.277 0.277 20 0 DCADMM O=C(CC1CC1)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001592813659 1167644111 /nfs/dbraw/zinc/64/41/11/1167644111.db2.gz UXWKVFJYTBAWLI-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(CC1CC1)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001592813659 1167644120 /nfs/dbraw/zinc/64/41/20/1167644120.db2.gz UXWKVFJYTBAWLI-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(C[C@H]1CCCOC1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592823764 1167647224 /nfs/dbraw/zinc/64/72/24/1167647224.db2.gz NUFMJTVCQMVCPA-MRVPVSSYSA-N -1 1 308.367 0.756 20 0 DCADMM O=C(C[C@H]1CCCOC1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592823764 1167647228 /nfs/dbraw/zinc/64/72/28/1167647228.db2.gz NUFMJTVCQMVCPA-MRVPVSSYSA-N -1 1 308.367 0.756 20 0 DCADMM O=C(CNc1cc(-c2nnn[n-]2)ncn1)NC1CCCCC1 ZINC001592874621 1167652985 /nfs/dbraw/zinc/65/29/85/1167652985.db2.gz GPARHXICQULEIJ-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM O=C(CNc1cc(-c2nn[n-]n2)ncn1)NC1CCCCC1 ZINC001592874621 1167652990 /nfs/dbraw/zinc/65/29/90/1167652990.db2.gz GPARHXICQULEIJ-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM O=C(CNc1ccnc(-c2nnn[n-]2)c1)NCCc1ccccc1 ZINC001592878586 1167655587 /nfs/dbraw/zinc/65/55/87/1167655587.db2.gz NIMNTWIBGZONHN-UHFFFAOYSA-N -1 1 323.360 0.454 20 0 DCADMM O=C(CNc1ccnc(-c2nn[n-]n2)c1)NCCc1ccccc1 ZINC001592878586 1167655592 /nfs/dbraw/zinc/65/55/92/1167655592.db2.gz NIMNTWIBGZONHN-UHFFFAOYSA-N -1 1 323.360 0.454 20 0 DCADMM O=C(COc1ccc(F)nc1-c1nn[n-]n1)NCc1ccco1 ZINC001592893461 1167658733 /nfs/dbraw/zinc/65/87/33/1167658733.db2.gz KWUAIPAYUMITLD-UHFFFAOYSA-N -1 1 318.268 0.689 20 0 DCADMM O=C(CSCc1ccc(-c2nnn[n-]2)o1)NC[C@@H]1CCCO1 ZINC001592903417 1167662340 /nfs/dbraw/zinc/66/23/40/1167662340.db2.gz QXMCOENLFLZWCE-VIFPVBQESA-N -1 1 323.378 0.988 20 0 DCADMM O=C(CSCc1ccc(-c2nn[n-]n2)o1)NC[C@@H]1CCCO1 ZINC001592903417 1167662344 /nfs/dbraw/zinc/66/23/44/1167662344.db2.gz QXMCOENLFLZWCE-VIFPVBQESA-N -1 1 323.378 0.988 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC1(CCO)CC1 ZINC001592916255 1167665552 /nfs/dbraw/zinc/66/55/52/1167665552.db2.gz ZYPCQCPJPANMBT-UHFFFAOYSA-N -1 1 302.338 0.083 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC1(CCO)CC1 ZINC001592916255 1167665558 /nfs/dbraw/zinc/66/55/58/1167665558.db2.gz ZYPCQCPJPANMBT-UHFFFAOYSA-N -1 1 302.338 0.083 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@@H]1C[C@@]12CCOC2 ZINC001592915512 1167666433 /nfs/dbraw/zinc/66/64/33/1167666433.db2.gz XVAXWBLDKRNFOQ-XHDPSFHLSA-N -1 1 315.333 0.774 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@@H]1C[C@@]12CCOC2 ZINC001592915512 1167666437 /nfs/dbraw/zinc/66/64/37/1167666437.db2.gz XVAXWBLDKRNFOQ-XHDPSFHLSA-N -1 1 315.333 0.774 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1cccc(-c2nnn[n-]2)n1 ZINC001592954233 1167674965 /nfs/dbraw/zinc/67/49/65/1167674965.db2.gz IXTKGOUVWXHXBB-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1cccc(-c2nn[n-]n2)n1 ZINC001592954233 1167674968 /nfs/dbraw/zinc/67/49/68/1167674968.db2.gz IXTKGOUVWXHXBB-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@@H](c1ncon1)C1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001592955295 1167675153 /nfs/dbraw/zinc/67/51/53/1167675153.db2.gz MRAHSTRMXFCKKY-SECBINFHSA-N -1 1 301.266 0.724 20 0 DCADMM O=C(N[C@@H](c1ncon1)C1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001592955295 1167675156 /nfs/dbraw/zinc/67/51/56/1167675156.db2.gz MRAHSTRMXFCKKY-SECBINFHSA-N -1 1 301.266 0.724 20 0 DCADMM O=C(N[C@H]1CC[S@](=O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592996828 1167680500 /nfs/dbraw/zinc/68/05/00/1167680500.db2.gz SEMHQSGYDCCATP-SGWXMTNESA-N -1 1 309.326 0.257 20 0 DCADMM O=C(N[C@H]1CC[S@](=O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592996828 1167680506 /nfs/dbraw/zinc/68/05/06/1167680506.db2.gz SEMHQSGYDCCATP-SGWXMTNESA-N -1 1 309.326 0.257 20 0 DCADMM O=C(N[C@H]1CCc2cncn2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592996458 1167682121 /nfs/dbraw/zinc/68/21/21/1167682121.db2.gz JXOIXNKXRFHDQL-JTQLQIEISA-N -1 1 310.321 0.203 20 0 DCADMM O=C(N[C@H]1COC[C@H]1C1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593002027 1167684360 /nfs/dbraw/zinc/68/43/60/1167684360.db2.gz VWHXBHRXIWMOSO-JQWIXIFHSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(N[C@H]1COC[C@H]1C1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593002027 1167684366 /nfs/dbraw/zinc/68/43/66/1167684366.db2.gz VWHXBHRXIWMOSO-JQWIXIFHSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(NC[C@H](CO)[C@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001593006532 1167686123 /nfs/dbraw/zinc/68/61/23/1167686123.db2.gz LOQKOBYODKYGCU-DTWKUNHWSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@H](CO)[C@H]1CCOC1)c1ccsc1-c1nn[n-]n1 ZINC001593006532 1167686132 /nfs/dbraw/zinc/68/61/32/1167686132.db2.gz LOQKOBYODKYGCU-DTWKUNHWSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@H](O)[C@@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001593012383 1167686929 /nfs/dbraw/zinc/68/69/29/1167686929.db2.gz BIYNKHXVZQUGID-IUCAKERBSA-N -1 1 309.351 0.198 20 0 DCADMM O=C(NCC1(O)CCOCC1)c1ccsc1-c1nnn[n-]1 ZINC001593020970 1167689299 /nfs/dbraw/zinc/68/92/99/1167689299.db2.gz JTEWANLFCYSXOB-UHFFFAOYSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(NCC1(O)CCOCC1)c1ccsc1-c1nn[n-]n1 ZINC001593020970 1167689301 /nfs/dbraw/zinc/68/93/01/1167689301.db2.gz JTEWANLFCYSXOB-UHFFFAOYSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(NCCC1CC(O)C1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593059967 1167695844 /nfs/dbraw/zinc/69/58/44/1167695844.db2.gz IHQWREWGBJZRIJ-UHFFFAOYSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCCC1CC(O)C1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593059967 1167695848 /nfs/dbraw/zinc/69/58/48/1167695848.db2.gz IHQWREWGBJZRIJ-UHFFFAOYSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCCCNc1ncccn1)c1ccc(-c2nnn[n-]2)o1 ZINC001593079550 1167700588 /nfs/dbraw/zinc/70/05/88/1167700588.db2.gz QASBPQLOLDDHTQ-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCCNc1ncccn1)c1ccc(-c2nn[n-]n2)o1 ZINC001593079550 1167700589 /nfs/dbraw/zinc/70/05/89/1167700589.db2.gz QASBPQLOLDDHTQ-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)[C@@H]1CC[C@H](F)C1 ZINC001593095617 1167706437 /nfs/dbraw/zinc/70/64/37/1167706437.db2.gz IRQBRMQSAODPPX-BDAKNGLRSA-N -1 1 320.332 0.323 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)[C@@H]1CC[C@H](F)C1 ZINC001593095617 1167706442 /nfs/dbraw/zinc/70/64/42/1167706442.db2.gz IRQBRMQSAODPPX-BDAKNGLRSA-N -1 1 320.332 0.323 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc(=O)cc[nH]1 ZINC001593136864 1167720656 /nfs/dbraw/zinc/72/06/56/1167720656.db2.gz XWXPZNYFMDNNDO-UHFFFAOYSA-N -1 1 302.319 0.547 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H](CO)C1CCC1 ZINC001593137579 1167721385 /nfs/dbraw/zinc/72/13/85/1167721385.db2.gz JFLNEODMCIJHFE-SNVBAGLBSA-N -1 1 322.394 0.888 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1CCOC1 ZINC001593137573 1167721429 /nfs/dbraw/zinc/72/14/29/1167721429.db2.gz IUASWZREDMTPQJ-MRVPVSSYSA-N -1 1 308.367 0.764 20 0 DCADMM O=C(NCc1cccc2c1OCO2)c1cccc(-c2nnn[n-]2)n1 ZINC001593143843 1167724260 /nfs/dbraw/zinc/72/42/60/1167724260.db2.gz HPVIWDVQAPEKSL-UHFFFAOYSA-N -1 1 324.300 0.920 20 0 DCADMM O=C(NCc1cccc2c1OCO2)c1cccc(-c2nn[n-]n2)n1 ZINC001593143843 1167724268 /nfs/dbraw/zinc/72/42/68/1167724268.db2.gz HPVIWDVQAPEKSL-UHFFFAOYSA-N -1 1 324.300 0.920 20 0 DCADMM O=C(NCc1ccncn1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593147594 1167724577 /nfs/dbraw/zinc/72/45/77/1167724577.db2.gz BXBTVHIUVQGDJP-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1ccncn1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593147594 1167724586 /nfs/dbraw/zinc/72/45/86/1167724586.db2.gz BXBTVHIUVQGDJP-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1occ2c1CCOC2 ZINC001593199831 1167735260 /nfs/dbraw/zinc/73/52/60/1167735260.db2.gz RWAVCBYXWWTJMV-UHFFFAOYSA-N -1 1 301.266 0.508 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1occ2c1CCOC2 ZINC001593199831 1167735270 /nfs/dbraw/zinc/73/52/70/1167735270.db2.gz RWAVCBYXWWTJMV-UHFFFAOYSA-N -1 1 301.266 0.508 20 0 DCADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)C1CCC1 ZINC001593196582 1167736512 /nfs/dbraw/zinc/73/65/12/1167736512.db2.gz QKHOWKFRTCOXRU-UHFFFAOYSA-N -1 1 318.341 0.165 20 0 DCADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)C1CCC1 ZINC001593196582 1167736517 /nfs/dbraw/zinc/73/65/17/1167736517.db2.gz QKHOWKFRTCOXRU-UHFFFAOYSA-N -1 1 318.341 0.165 20 0 DCADMM O=C(Nc1ccc(Cl)nn1)c1cccc(-c2nnn[n-]2)n1 ZINC001593229003 1167741172 /nfs/dbraw/zinc/74/11/72/1167741172.db2.gz RBYNUBXJYZRTMR-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1ccc(Cl)nn1)c1cccc(-c2nn[n-]n2)n1 ZINC001593229003 1167741176 /nfs/dbraw/zinc/74/11/76/1167741176.db2.gz RBYNUBXJYZRTMR-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593240953 1167743006 /nfs/dbraw/zinc/74/30/06/1167743006.db2.gz UOLXMQQHUFHAAL-UHFFFAOYSA-N -1 1 321.300 0.757 20 0 DCADMM O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593240953 1167743016 /nfs/dbraw/zinc/74/30/16/1167743016.db2.gz UOLXMQQHUFHAAL-UHFFFAOYSA-N -1 1 321.300 0.757 20 0 DCADMM O=C(Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1)c1c[nH]cn1 ZINC001593252651 1167743539 /nfs/dbraw/zinc/74/35/39/1167743539.db2.gz 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ZINC001593348073 1167781732 /nfs/dbraw/zinc/78/17/32/1167781732.db2.gz OBHCGMFGGOMCAZ-SECBINFHSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](O)C(F)(F)C1 ZINC001593348073 1167781742 /nfs/dbraw/zinc/78/17/42/1167781742.db2.gz OBHCGMFGGOMCAZ-SECBINFHSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001593358772 1167785901 /nfs/dbraw/zinc/78/59/01/1167785901.db2.gz OAJNTYBIQSAPJX-VXGBXAGGSA-N -1 1 314.349 0.760 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001593358772 1167785907 /nfs/dbraw/zinc/78/59/07/1167785907.db2.gz OAJNTYBIQSAPJX-VXGBXAGGSA-N -1 1 314.349 0.760 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@H](OCCO)C1 ZINC001593362146 1167788312 /nfs/dbraw/zinc/78/83/12/1167788312.db2.gz IODCOKAVPAFSMV-VIFPVBQESA-N -1 1 323.378 0.542 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@H](OCCO)C1 ZINC001593362146 1167788318 /nfs/dbraw/zinc/78/83/18/1167788318.db2.gz IODCOKAVPAFSMV-VIFPVBQESA-N -1 1 323.378 0.542 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCN(C(=O)C2CC2)C1 ZINC001593371543 1167792552 /nfs/dbraw/zinc/79/25/52/1167792552.db2.gz SZLOWIHJIMIXSG-UHFFFAOYSA-N -1 1 318.362 0.580 20 0 DCADMM O=C1C[C@H](Cn2cc(-c3nn[n-]n3)c3ccsc3c2=O)CN1 ZINC001593384988 1167794506 /nfs/dbraw/zinc/79/45/06/1167794506.db2.gz ASNRIQOSOFUXES-ZETCQYMHSA-N -1 1 316.346 0.379 20 0 DCADMM O=C1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1CC1CC1 ZINC001593384672 1167794678 /nfs/dbraw/zinc/79/46/78/1167794678.db2.gz RREORLBMHSHDGR-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1CC1CC1 ZINC001593384672 1167794689 /nfs/dbraw/zinc/79/46/89/1167794689.db2.gz RREORLBMHSHDGR-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C1CCN1c1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001593394103 1167807248 /nfs/dbraw/zinc/80/72/48/1167807248.db2.gz DEGZHYZIONDTNM-UHFFFAOYSA-N -1 1 308.305 0.559 20 0 DCADMM O=S(=O)(Oc1ccc(F)nc1)c1cccnc1-c1nn[n-]n1 ZINC001593448627 1167847671 /nfs/dbraw/zinc/84/76/71/1167847671.db2.gz 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1167890011 /nfs/dbraw/zinc/89/00/11/1167890011.db2.gz RKVFPOPKAMOBLU-SECBINFHSA-N -1 1 320.300 0.822 20 0 DCADMM O[C@H]1c2ccccc2OC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001593521579 1167897545 /nfs/dbraw/zinc/89/75/45/1167897545.db2.gz MSLBKVGGWSFVEZ-MFKMUULPSA-N -1 1 311.305 0.563 20 0 DCADMM O[C@H]1c2ccccc2OC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001593521579 1167897554 /nfs/dbraw/zinc/89/75/54/1167897554.db2.gz MSLBKVGGWSFVEZ-MFKMUULPSA-N -1 1 311.305 0.563 20 0 DCADMM OC[C@@H]1CC(F)(F)CN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593524059 1167900361 /nfs/dbraw/zinc/90/03/61/1167900361.db2.gz SHDRYQRZBDCPIO-LURJTMIESA-N -1 1 302.310 0.525 20 0 DCADMM OC[C@@H]1CC(F)(F)CN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593524059 1167900363 /nfs/dbraw/zinc/90/03/63/1167900363.db2.gz SHDRYQRZBDCPIO-LURJTMIESA-N -1 1 302.310 0.525 20 0 DCADMM OCCc1ccc(NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001593532210 1167910970 /nfs/dbraw/zinc/91/09/70/1167910970.db2.gz JSRHOFZZAAJRLT-UHFFFAOYSA-N -1 1 303.351 0.865 20 0 DCADMM OCCc1ccc(NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001593532210 1167910977 /nfs/dbraw/zinc/91/09/77/1167910977.db2.gz JSRHOFZZAAJRLT-UHFFFAOYSA-N -1 1 303.351 0.865 20 0 DCADMM c1ccc2[nH]c(CCCNc3ccnc(-c4nn[n-]n4)n3)nc2c1 ZINC001593578233 1167944037 /nfs/dbraw/zinc/94/40/37/1167944037.db2.gz NSTBQRXVYBZGAD-UHFFFAOYSA-N -1 1 321.348 1.000 20 0 DCADMM c1ccc(-n2nnnc2Sc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001593571431 1167946523 /nfs/dbraw/zinc/94/65/23/1167946523.db2.gz YENYQBBPCDMOIW-UHFFFAOYSA-N -1 1 324.333 0.784 20 0 DCADMM c1cn(CC2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)nn1 ZINC001593583238 1167949679 /nfs/dbraw/zinc/94/96/79/1167949679.db2.gz SLQWNYSBEXTJPA-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM c1cn(CC2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)nn1 ZINC001593583238 1167949681 /nfs/dbraw/zinc/94/96/81/1167949681.db2.gz SLQWNYSBEXTJPA-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM c1nc(-c2nnn[n-]2)cnc1NC1CCC2(CC1)OCCO2 ZINC001593590450 1167954519 /nfs/dbraw/zinc/95/45/19/1167954519.db2.gz STULVYLMXBIKSG-UHFFFAOYSA-N -1 1 303.326 0.754 20 0 DCADMM c1nc(-c2nn[n-]n2)cnc1NC1CCC2(CC1)OCCO2 ZINC001593590450 1167954523 /nfs/dbraw/zinc/95/45/23/1167954523.db2.gz STULVYLMXBIKSG-UHFFFAOYSA-N -1 1 303.326 0.754 20 0 DCADMM c1ncc(-c2nnn[n-]2)nc1NCCCOC[C@H]1CCOC1 ZINC001593595463 1167958117 /nfs/dbraw/zinc/95/81/17/1167958117.db2.gz QRASIIGJCCANTH-SNVBAGLBSA-N -1 1 305.342 0.512 20 0 DCADMM c1ncc(-c2nn[n-]n2)nc1NCCCOC[C@H]1CCOC1 ZINC001593595463 1167958120 /nfs/dbraw/zinc/95/81/20/1167958120.db2.gz QRASIIGJCCANTH-SNVBAGLBSA-N -1 1 305.342 0.512 20 0 DCADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1CC(=O)NCC1CCC1 ZINC001594342332 1167965775 /nfs/dbraw/zinc/96/57/75/1167965775.db2.gz ZIDLPDIDRGAWBV-ZZVYKPCYSA-N -1 1 310.394 0.998 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NCc2cc(C(N)=O)no2)c1 ZINC001595822608 1167980127 /nfs/dbraw/zinc/98/01/27/1167980127.db2.gz MZYHLGLELJKXFF-UHFFFAOYSA-N -1 1 303.274 0.530 20 0 DCADMM COC[C@@H](NC(=O)c1[nH]nc2c1cccc2OC)c1nn[n-]n1 ZINC001595889700 1167982054 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O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](CCCO)C1 ZINC001606593960 1170239110 /nfs/dbraw/zinc/23/91/10/1170239110.db2.gz BAJXYEMPVSBWDK-LLVKDONJSA-N -1 1 316.365 0.425 20 0 DCADMM COC(=O)c1cccc(NC(=O)CN2CC3CC2(C(=O)[O-])C3)c1 ZINC001606614358 1170243479 /nfs/dbraw/zinc/24/34/79/1170243479.db2.gz PINZPNMGQYCTIB-UHFFFAOYSA-N -1 1 318.329 0.961 20 0 DCADMM O=C(Cn1ccn2ncc(-c3nn[n-]n3)c12)N1CCCCCC1 ZINC001606619945 1170245317 /nfs/dbraw/zinc/24/53/17/1170245317.db2.gz GHBKYBXCHVUSNN-UHFFFAOYSA-N -1 1 314.353 0.719 20 0 DCADMM O=C(N[C@H](CO)C1CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606635271 1170248875 /nfs/dbraw/zinc/24/88/75/1170248875.db2.gz MMGKTWRERQJBME-LLVKDONJSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(N[C@H](CO)C1CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606635271 1170248877 /nfs/dbraw/zinc/24/88/77/1170248877.db2.gz MMGKTWRERQJBME-LLVKDONJSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NC1(CCO)CCOCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606641493 1170251330 /nfs/dbraw/zinc/25/13/30/1170251330.db2.gz 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O=C1CCCN1C1CN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001607043716 1170365312 /nfs/dbraw/zinc/36/53/12/1170365312.db2.gz OIDDWCACLYJBLH-UHFFFAOYSA-N -1 1 305.367 0.130 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC001607052578 1170372485 /nfs/dbraw/zinc/37/24/85/1170372485.db2.gz SWYCILOMEMTAGI-LDYMZIIASA-N -1 1 316.321 0.200 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC001607052578 1170372494 /nfs/dbraw/zinc/37/24/94/1170372494.db2.gz SWYCILOMEMTAGI-LDYMZIIASA-N -1 1 316.321 0.200 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccc(-c2nnn[n-]2)nc1 ZINC001607060508 1170373712 /nfs/dbraw/zinc/37/37/12/1170373712.db2.gz TWYZQTFACKKQGE-PTOFAABTSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccc(-c2nn[n-]n2)nc1 ZINC001607060508 1170373713 /nfs/dbraw/zinc/37/37/13/1170373713.db2.gz TWYZQTFACKKQGE-PTOFAABTSA-N -1 1 320.378 0.729 20 0 DCADMM O=S1(=O)CCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001607073094 1170380896 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POHPXGZOHPLJGE-LBPRGKRZSA-N -1 1 311.349 0.342 20 0 DCADMM OC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H](O)C1CCCCC1 ZINC001607102581 1170397801 /nfs/dbraw/zinc/39/78/01/1170397801.db2.gz ZPTNJGALDLKDHJ-OCCSQVGLSA-N -1 1 318.381 0.976 20 0 DCADMM OC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H](O)C1CCCCC1 ZINC001607102581 1170397803 /nfs/dbraw/zinc/39/78/03/1170397803.db2.gz ZPTNJGALDLKDHJ-OCCSQVGLSA-N -1 1 318.381 0.976 20 0 DCADMM Oc1ccc2c(c1)OCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001607110721 1170401644 /nfs/dbraw/zinc/40/16/44/1170401644.db2.gz JNXVLEMPEYTNFO-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM Oc1ccc2c(c1)OCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001607110721 1170401647 /nfs/dbraw/zinc/40/16/47/1170401647.db2.gz JNXVLEMPEYTNFO-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM c1nc(CNc2ccnc(-c3nnn[n-]3)c2)n(-c2ccccc2)n1 ZINC001607125883 1170406076 /nfs/dbraw/zinc/40/60/76/1170406076.db2.gz BRRYWJUEGCYKEP-UHFFFAOYSA-N -1 1 319.332 0.876 20 0 DCADMM c1nc(CNc2ccnc(-c3nn[n-]n3)c2)n(-c2ccccc2)n1 ZINC001607125883 1170406077 /nfs/dbraw/zinc/40/60/77/1170406077.db2.gz BRRYWJUEGCYKEP-UHFFFAOYSA-N -1 1 319.332 0.876 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCO[C@]3(CCSC3)C2)n1 ZINC001607136648 1170407160 /nfs/dbraw/zinc/40/71/60/1170407160.db2.gz NEUMCAZIMABDBI-GFCCVEGCSA-N -1 1 305.367 0.369 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCO[C@]3(CCSC3)C2)n1 ZINC001607136648 1170407167 /nfs/dbraw/zinc/40/71/67/1170407167.db2.gz NEUMCAZIMABDBI-GFCCVEGCSA-N -1 1 305.367 0.369 20 0 DCADMM COc1cc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)cc(OC)c1O ZINC001607158040 1170410855 /nfs/dbraw/zinc/41/08/55/1170410855.db2.gz YAVQAPWDERDOQB-MNOVXSKESA-N -1 1 311.334 0.677 20 0 DCADMM COc1cc(CNC(=O)CCc2c[nH]nn2)ccc1C(=O)[O-] ZINC001607160701 1170411379 /nfs/dbraw/zinc/41/13/79/1170411379.db2.gz KYZMOBQLULSOEO-UHFFFAOYSA-N -1 1 304.306 0.761 20 0 DCADMM COc1cc(CNC(=O)CCc2cnn[nH]2)ccc1C(=O)[O-] ZINC001607160701 1170411381 /nfs/dbraw/zinc/41/13/81/1170411381.db2.gz KYZMOBQLULSOEO-UHFFFAOYSA-N -1 1 304.306 0.761 20 0 DCADMM 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/nfs/dbraw/zinc/81/18/18/1170811818.db2.gz SIQXUNZIVYZIKV-VIFPVBQESA-N -1 1 305.342 0.934 20 0 DCADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1nnnn1C ZINC001609132939 1170822402 /nfs/dbraw/zinc/82/24/02/1170822402.db2.gz MRVFFXJXCFNLDI-RXMQYKEDSA-N -1 1 306.311 0.370 20 0 DCADMM CC1(NS(=O)(=O)c2cccnc2-c2nn[n-]n2)CCOCC1 ZINC001609150840 1170829699 /nfs/dbraw/zinc/82/96/99/1170829699.db2.gz VHHOYWRTHKVGSS-UHFFFAOYSA-N -1 1 324.366 0.109 20 0 DCADMM C[C@@H]1COCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609177631 1170850212 /nfs/dbraw/zinc/85/02/12/1170850212.db2.gz ZULDVBRXEXMIFU-MRVPVSSYSA-N -1 1 313.339 0.259 20 0 DCADMM CC[C@H](C)[C@](C)(O)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609184114 1170850950 /nfs/dbraw/zinc/85/09/50/1170850950.db2.gz QDFUXJQQFMYWCX-LKFCYVNXSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@H](C)[C@](C)(O)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609184114 1170850957 /nfs/dbraw/zinc/85/09/57/1170850957.db2.gz QDFUXJQQFMYWCX-LKFCYVNXSA-N -1 1 304.354 0.789 20 0 DCADMM 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1170933220 /nfs/dbraw/zinc/93/32/20/1170933220.db2.gz IBDQTBLXWVZJSM-UHFFFAOYSA-N -1 1 307.358 0.910 20 0 DCADMM COCC(C)(C)CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001609316151 1170933225 /nfs/dbraw/zinc/93/32/25/1170933225.db2.gz IBDQTBLXWVZJSM-UHFFFAOYSA-N -1 1 307.358 0.910 20 0 DCADMM COCCC(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001609320902 1170935003 /nfs/dbraw/zinc/93/50/03/1170935003.db2.gz GPSFGERHUQYWCZ-UHFFFAOYSA-N -1 1 314.309 0.422 20 0 DCADMM COCCOC[C@H]1CCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001609326826 1170938760 /nfs/dbraw/zinc/93/87/60/1170938760.db2.gz KAKKSGZCNIUUDX-JTQLQIEISA-N -1 1 305.342 0.146 20 0 DCADMM CSc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001609373379 1170952780 /nfs/dbraw/zinc/95/27/80/1170952780.db2.gz WUXBNXTZWLPHIJ-UHFFFAOYSA-N -1 1 316.350 0.819 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCn2cnnc2C(C)C)n1 ZINC001609392284 1170961589 /nfs/dbraw/zinc/96/15/89/1170961589.db2.gz LFYGBRIDEPDNRV-UHFFFAOYSA-N -1 1 314.357 0.792 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCn2cnnc2C(C)C)n1 ZINC001609392284 1170961592 /nfs/dbraw/zinc/96/15/92/1170961592.db2.gz LFYGBRIDEPDNRV-UHFFFAOYSA-N -1 1 314.357 0.792 20 0 DCADMM Cc1ccn(CCO[C@H]2CCCCO2)c(=O)c1-c1nn[n-]n1 ZINC001609437549 1170977343 /nfs/dbraw/zinc/97/73/43/1170977343.db2.gz KZKHZLWOFBMCTO-NSHDSACASA-N -1 1 305.338 0.880 20 0 DCADMM Cc1cnn([C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC001609441911 1170978394 /nfs/dbraw/zinc/97/83/94/1170978394.db2.gz VDCKXVNMLVOFED-GFCCVEGCSA-N -1 1 324.348 0.854 20 0 DCADMM Cc1cnn([C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC001609441911 1170978400 /nfs/dbraw/zinc/97/84/00/1170978400.db2.gz VDCKXVNMLVOFED-GFCCVEGCSA-N -1 1 324.348 0.854 20 0 DCADMM Cc1nn(CCc2cncn2C)c(=O)c(-c2nn[n-]n2)c1C ZINC001609459824 1170985572 /nfs/dbraw/zinc/98/55/72/1170985572.db2.gz XGMAGEWEJRRUMI-UHFFFAOYSA-N -1 1 300.326 0.016 20 0 DCADMM Cc1nn(CC2CCC(O)CC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001609459414 1170985830 /nfs/dbraw/zinc/98/58/30/1170985830.db2.gz 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O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H](CO)CC1 ZINC001609567146 1171023772 /nfs/dbraw/zinc/02/37/72/1171023772.db2.gz SVTJCTLDZGVWFC-SNVBAGLBSA-N -1 1 317.353 0.888 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(C[C@@H]1CCOC1)C1CC1 ZINC001609584322 1171028727 /nfs/dbraw/zinc/02/87/27/1171028727.db2.gz ZJPHXTDIVFVBJC-JTQLQIEISA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(C[C@@H]1CCOC1)C1CC1 ZINC001609584322 1171028731 /nfs/dbraw/zinc/02/87/31/1171028731.db2.gz ZJPHXTDIVFVBJC-JTQLQIEISA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H](O)CC(F)(F)C1 ZINC001609581612 1171029409 /nfs/dbraw/zinc/02/94/09/1171029409.db2.gz XJHMDMZAHPNTQY-QMMMGPOBSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H](O)CC(F)(F)C1 ZINC001609581612 1171029415 /nfs/dbraw/zinc/02/94/15/1171029415.db2.gz XJHMDMZAHPNTQY-QMMMGPOBSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H](OCCO)C1 ZINC001609581950 1171029729 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C[C@@H](C(=O)NCCNC(=O)c1ncccc1[O-])c1cnn(C)c1 ZINC001742356077 1187964692 /nfs/dbraw/zinc/96/46/92/1187964692.db2.gz OJMUREHYVDJMGS-SNVBAGLBSA-N -1 1 317.349 0.170 20 0 DCADMM CCN(CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)Cc1n[nH]c(=O)[n-]1 ZINC001752205416 1188402384 /nfs/dbraw/zinc/40/23/84/1188402384.db2.gz GHNAUQGJSZKXIA-GDNZZTSVSA-N -1 1 307.398 0.885 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1nccc2occc21 ZINC001753215624 1188537875 /nfs/dbraw/zinc/53/78/75/1188537875.db2.gz UZGWZZQSTUZVSH-UHFFFAOYSA-N -1 1 316.321 0.513 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)COc1ccc(F)cc1 ZINC001753259559 1188551823 /nfs/dbraw/zinc/55/18/23/1188551823.db2.gz FPGCPAASYVHVDF-UHFFFAOYSA-N -1 1 323.328 0.276 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001754066715 1188726624 /nfs/dbraw/zinc/72/66/24/1188726624.db2.gz VRSARYSPHJEFKH-QWRGUYRKSA-N -1 1 311.386 0.264 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cc2ccccn2c1 ZINC001754285936 1188809714 /nfs/dbraw/zinc/80/97/14/1188809714.db2.gz RRLZIARNZXBHKJ-JTQLQIEISA-N -1 1 314.349 0.671 20 0 DCADMM O=C(C=C1CCCCC1)N(CCO)CCNCc1n[nH]c(=O)[n-]1 ZINC001754877834 1188958259 /nfs/dbraw/zinc/95/82/59/1188958259.db2.gz ALNZJZLPGLXWCE-UHFFFAOYSA-N -1 1 323.397 0.311 20 0 DCADMM COCCCC(=O)N1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001757285322 1189518941 /nfs/dbraw/zinc/51/89/41/1189518941.db2.gz XWLQQSZQNZPJIM-GFCCVEGCSA-N -1 1 321.377 0.887 20 0 DCADMM CC1=C(C(=O)NCCNC(=O)c2ncccc2[O-])CCCO1 ZINC001757967262 1189644639 /nfs/dbraw/zinc/64/46/39/1189644639.db2.gz ZYUPGORFGDHYMX-UHFFFAOYSA-N -1 1 305.334 0.718 20 0 DCADMM Cc1nc(N(C)C)sc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001771638331 1190387965 /nfs/dbraw/zinc/38/79/65/1190387965.db2.gz VUOKVFNZTXDIJD-MRVPVSSYSA-N -1 1 323.382 0.244 20 0 DCADMM CCOC1CC2(C[C@H]2C(=O)N2CCOC[C@@H]2c2nn[n-]n2)C1 ZINC001771924300 1190559421 /nfs/dbraw/zinc/55/94/21/1190559421.db2.gz NJFNDLTTZGHBNO-DUEVMTECSA-N -1 1 307.354 0.305 20 0 DCADMM Cc1cnc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C)C2)c([O-])c1 ZINC001772102828 1190609160 /nfs/dbraw/zinc/60/91/60/1190609160.db2.gz CTLODRFNZJMGPU-YGRLFVJLSA-N -1 1 310.375 0.602 20 0 DCADMM CC(C)CO[C@H]1CCN(c2nnc(Cc3nnn[n-]3)n2C)C1 ZINC001772157584 1190616782 /nfs/dbraw/zinc/61/67/82/1190616782.db2.gz RMRWQNMIWQCSTA-JTQLQIEISA-N -1 1 306.374 0.170 20 0 DCADMM CC(C)CO[C@H]1CCN(c2nnc(Cc3nn[n-]n3)n2C)C1 ZINC001772157584 1190616784 /nfs/dbraw/zinc/61/67/84/1190616784.db2.gz RMRWQNMIWQCSTA-JTQLQIEISA-N -1 1 306.374 0.170 20 0 DCADMM Cn1cc(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)cc1C(=O)[O-] ZINC000392276446 1190701649 /nfs/dbraw/zinc/70/16/49/1190701649.db2.gz FNEVOQLDQLNMES-UHFFFAOYSA-N -1 1 313.379 0.264 20 0 DCADMM Cn1cc(S(=O)(=O)NCC2=CCN(C)CC2)cc1C(=O)[O-] ZINC000392276446 1190701651 /nfs/dbraw/zinc/70/16/51/1190701651.db2.gz FNEVOQLDQLNMES-UHFFFAOYSA-N -1 1 313.379 0.264 20 0 DCADMM CN(C(=O)c1cccs1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001042431839 751641236 /nfs/dbraw/zinc/64/12/36/751641236.db2.gz IXKODIPGWKODHS-UHFFFAOYSA-N -1 1 307.379 0.126 20 0 DCADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)c1ncnc2sccc21 ZINC001127695196 751641753 /nfs/dbraw/zinc/64/17/53/751641753.db2.gz DKKJPBZRBQAMQC-UHFFFAOYSA-N -1 1 319.350 0.035 20 0 DCADMM C[C@@H](c1nncn1C)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001042646706 751804572 /nfs/dbraw/zinc/80/45/72/751804572.db2.gz XZLIKQQNHZJVHL-JTQLQIEISA-N -1 1 316.365 0.433 20 0 DCADMM Cc1noc([C@H](C)N2CC(N(C)C(=O)c3ncccc3[O-])C2)n1 ZINC001042645896 751805180 /nfs/dbraw/zinc/80/51/80/751805180.db2.gz GEEYGPTUMRFWCP-VIFPVBQESA-N -1 1 317.349 0.996 20 0 DCADMM C[C@@H](C(=O)N(C)C)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001042646575 751805318 /nfs/dbraw/zinc/80/53/18/751805318.db2.gz RVIYBKIHJPXCJS-JTQLQIEISA-N -1 1 306.366 0.020 20 0 DCADMM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(CC2CCCC2)C1 ZINC001043230904 752143468 /nfs/dbraw/zinc/14/34/68/752143468.db2.gz ICLRUSJOXDSZBI-UHFFFAOYSA-N -1 1 307.354 0.229 20 0 DCADMM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)C1=O ZINC000692882789 748332190 /nfs/dbraw/zinc/33/21/90/748332190.db2.gz VFQWVQYFCNUYFZ-LURJTMIESA-N -1 1 307.734 0.383 20 0 DCADMM COCCN(CCNC(=O)c1ncccc1[O-])c1ncccn1 ZINC001126302931 748397004 /nfs/dbraw/zinc/39/70/04/748397004.db2.gz NOGZRTZKPMGMFF-UHFFFAOYSA-N -1 1 317.349 0.460 20 0 DCADMM CO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059260482 748894035 /nfs/dbraw/zinc/89/40/35/748894035.db2.gz YFTXNYQIQNTDSH-RYUDHWBXSA-N -1 1 321.377 0.791 20 0 DCADMM Cn1cc(CCC(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cn1 ZINC001141892986 749166141 /nfs/dbraw/zinc/16/61/41/749166141.db2.gz KWMBBCMIHAXHSQ-UHFFFAOYSA-N -1 1 303.282 0.021 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1CC(=O)N(C)C ZINC001088538808 749562448 /nfs/dbraw/zinc/56/24/48/749562448.db2.gz SBFKSVZGAKVORE-MNOVXSKESA-N -1 1 306.366 0.068 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C2(C)CCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088798096 750036653 /nfs/dbraw/zinc/03/66/53/750036653.db2.gz YOEFMVNKPKVXKI-MNOVXSKESA-N -1 1 307.398 0.378 20 0 DCADMM CO[C@H](C)CN1CCO[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001107890886 752490403 /nfs/dbraw/zinc/49/04/03/752490403.db2.gz ZAEKJHSCGBGHDC-MLGOLLRUSA-N -1 1 323.393 0.643 20 0 DCADMM Cc1ncc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)s1 ZINC001044955383 752955016 /nfs/dbraw/zinc/95/50/16/752955016.db2.gz OOSNCSCVNRIWMZ-VIFPVBQESA-N -1 1 322.394 0.670 20 0 DCADMM O=C(CC[C@H]1CCOC1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044987845 752979550 /nfs/dbraw/zinc/97/95/50/752979550.db2.gz YXUSRKLEVQTBDB-RYUDHWBXSA-N -1 1 323.397 0.408 20 0 DCADMM Cc1nnccc1C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045108002 753049116 /nfs/dbraw/zinc/04/91/16/753049116.db2.gz PUYLCMSUBJVDMI-JTQLQIEISA-N -1 1 317.353 0.003 20 0 DCADMM O=C(Cc1ccc[nH]1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045316821 753143547 /nfs/dbraw/zinc/14/35/47/753143547.db2.gz GIYWVCYLLRHTNZ-NSHDSACASA-N -1 1 304.354 0.162 20 0 DCADMM O=C(c1ccco1)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078318842 753171726 /nfs/dbraw/zinc/17/17/26/753171726.db2.gz OAEODGRTGGFZIP-JTQLQIEISA-N -1 1 321.337 0.124 20 0 DCADMM O=C(N[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2)c1cocn1 ZINC001078578001 753302256 /nfs/dbraw/zinc/30/22/56/753302256.db2.gz LPCDPVLBRNFZMA-NXEZZACHSA-N -1 1 318.337 0.329 20 0 DCADMM Cc1occc1C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001046127209 753495607 /nfs/dbraw/zinc/49/56/07/753495607.db2.gz KUVZOQNBHZLPAN-OAHLLOKOSA-N -1 1 319.365 0.404 20 0 DCADMM Cn1nncc1CN1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001046262286 753598382 /nfs/dbraw/zinc/59/83/82/753598382.db2.gz NSFHIRREOOTKAC-HNNXBMFYSA-N -1 1 316.365 0.310 20 0 DCADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN([C@H]2CCCNC2=O)C1 ZINC001046262713 753598725 /nfs/dbraw/zinc/59/87/25/753598725.db2.gz XAEOCKJMHZKTEH-MEDUHNTESA-N -1 1 318.377 0.260 20 0 DCADMM C[C@@H](F)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001047359211 754212055 /nfs/dbraw/zinc/21/20/55/754212055.db2.gz RSJCGOLPFOSCCX-MDZLAQPJSA-N -1 1 311.357 0.652 20 0 DCADMM C[C@@H](CC(C)(C)C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001113407032 762287988 /nfs/dbraw/zinc/28/79/88/762287988.db2.gz JLZHVGYDCGVGSV-LBPRGKRZSA-N -1 1 323.441 0.825 20 0 DCADMM C[C@@H]1CC[C@H](NC(=O)CN2CCCC2)CN1Cc1n[nH]c(=O)[n-]1 ZINC001072081475 762343946 /nfs/dbraw/zinc/34/39/46/762343946.db2.gz MEUBUFAFNOJGKA-NEPJUHHUSA-N -1 1 322.413 0.075 20 0 DCADMM CC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1cc(=O)n2[n-]ccc2n1 ZINC001049258296 755208172 /nfs/dbraw/zinc/20/81/72/755208172.db2.gz IHQOEEWBQHMKQO-KBPBESRZSA-N -1 1 315.377 0.608 20 0 DCADMM CC(C)=CC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1nc(=O)n(C)[n-]1 ZINC001049294098 755217409 /nfs/dbraw/zinc/21/74/09/755217409.db2.gz YIIZAFNPJCJIKY-STQMWFEESA-N -1 1 319.409 0.640 20 0 DCADMM O=C(NCC1(NC(=O)c2ncccc2[O-])CCC1)c1cnco1 ZINC001063775416 755261530 /nfs/dbraw/zinc/26/15/30/755261530.db2.gz VTAACZPFDJRBQW-UHFFFAOYSA-N -1 1 316.317 0.858 20 0 DCADMM COCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001049684525 755362882 /nfs/dbraw/zinc/36/28/82/755362882.db2.gz GNQGITBJTVJGFE-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM C/C=C(\C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1 ZINC001065072327 755668639 /nfs/dbraw/zinc/66/86/39/755668639.db2.gz AARURLAKIQWJLW-NDZKXSSTSA-N -1 1 319.361 0.711 20 0 DCADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1(C)CCC1 ZINC001080272099 756146193 /nfs/dbraw/zinc/14/61/93/756146193.db2.gz UQVSGQDTSBZVQN-GHMZBOCLSA-N -1 1 307.398 0.235 20 0 DCADMM Cc1nc(C)c(CC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2C)c(=O)[nH]1 ZINC001080931767 756388408 /nfs/dbraw/zinc/38/84/08/756388408.db2.gz JTOVQOFMMQUCJT-NOZJJQNGSA-N -1 1 310.373 0.748 20 0 DCADMM C[C@H]1CN(C(=O)c2ccsc2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054366254 756454115 /nfs/dbraw/zinc/45/41/15/756454115.db2.gz KNCGDALYAOFSGZ-WCBMZHEXSA-N -1 1 307.379 0.822 20 0 DCADMM C[C@H]1CN(C(=O)COC2CCCC2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054411223 756472646 /nfs/dbraw/zinc/47/26/46/756472646.db2.gz LCTMMMZQOSPORA-CMPLNLGQSA-N -1 1 323.397 0.406 20 0 DCADMM 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307.331 0.516 20 0 DCADMM O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1ccncc1O ZINC001188637123 772338516 /nfs/dbraw/zinc/33/85/16/772338516.db2.gz RWLLQRXWBCPTTR-UHFFFAOYSA-N -1 1 319.298 0.472 20 0 DCADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccncc2[O-])C1 ZINC001188636576 772338750 /nfs/dbraw/zinc/33/87/50/772338750.db2.gz FLYGYZFWJNGPMM-ZYHUDNBSSA-N -1 1 323.349 0.497 20 0 DCADMM COC(=O)C[C@H]([N-]S(=O)(=O)CC1CC1)C(=O)OC(C)(C)C ZINC001188994540 772398920 /nfs/dbraw/zinc/39/89/20/772398920.db2.gz QVJDEFFXNZHHPL-JTQLQIEISA-N -1 1 321.395 0.589 20 0 DCADMM Cn1nc(C2CC2)cc1C(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001189418996 772472902 /nfs/dbraw/zinc/47/29/02/772472902.db2.gz HNVLIWJQKSBYAM-UHFFFAOYSA-N -1 1 315.293 0.579 20 0 DCADMM CN(Cc1nc(=O)o[n-]1)C(=O)c1cn[nH]c1-c1ccccn1 ZINC001163338991 772509133 /nfs/dbraw/zinc/50/91/33/772509133.db2.gz CFQKSZUAAQYCPG-UHFFFAOYSA-N -1 1 300.278 0.420 20 0 DCADMM CC[C@@H](C)CC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1 ZINC001189883850 772552092 /nfs/dbraw/zinc/55/20/92/772552092.db2.gz YPJCWZISHHFHDN-VXGBXAGGSA-N -1 1 309.414 0.577 20 0 DCADMM O=C(NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1)C1=COCCC1 ZINC001163751690 772566285 /nfs/dbraw/zinc/56/62/85/772566285.db2.gz AXIYEVXGAAAQBA-UHFFFAOYSA-N -1 1 321.381 0.581 20 0 DCADMM O=C(Cc1ccoc1)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001164223334 772628147 /nfs/dbraw/zinc/62/81/47/772628147.db2.gz PDWDJSFGTTWMJM-UHFFFAOYSA-N -1 1 319.365 0.722 20 0 DCADMM O=C([N-]CCNc1cccc2c1CC(=O)NC2)C(F)(F)F ZINC001164250823 772630821 /nfs/dbraw/zinc/63/08/21/772630821.db2.gz AYRMFCFWKMZQCO-UHFFFAOYSA-N -1 1 301.268 0.949 20 0 DCADMM CON(C)C(=O)c1ncccc1NCC[N-]C(=O)C(F)(F)F ZINC001164250834 772630892 /nfs/dbraw/zinc/63/08/92/772630892.db2.gz BPNBZWOXTJGEKY-UHFFFAOYSA-N -1 1 320.271 0.805 20 0 DCADMM CCOC(=O)CCNC(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190632151 772653575 /nfs/dbraw/zinc/65/35/75/772653575.db2.gz GDWKIEDHYIFVQT-UHFFFAOYSA-N -1 1 316.317 0.927 20 0 DCADMM CSc1ncc(C(=O)N2C[C@H](CO)CC(F)(F)C2)c(=O)[n-]1 ZINC001191428185 772766944 /nfs/dbraw/zinc/76/69/44/772766944.db2.gz DTGMEIZMDUVCJC-SSDOTTSWSA-N -1 1 319.333 0.994 20 0 DCADMM CSc1ncc(C(=O)N2CC[C@](C)(CO)[C@H](O)C2)c(=O)[n-]1 ZINC001191428291 772767394 /nfs/dbraw/zinc/76/73/94/772767394.db2.gz RLRYMPFRGPLMLR-NOZJJQNGSA-N -1 1 313.379 0.110 20 0 DCADMM CSc1ncc(C(=O)NCC2(N3CCCC3)COC2)c(=O)[n-]1 ZINC001191438130 772768735 /nfs/dbraw/zinc/76/87/35/772768735.db2.gz SVLQSAYMULBCAM-UHFFFAOYSA-N -1 1 324.406 0.499 20 0 DCADMM O=C1C[C@@H]([N-]S(=O)(=O)C(Cl)(Cl)Cl)CCCN1 ZINC001192054489 772866543 /nfs/dbraw/zinc/86/65/43/772866543.db2.gz SXPGJYVBAHCURE-YFKPBYRVSA-N -1 1 309.602 0.902 20 0 DCADMM COC(=O)[C@@H]1C[C@H]1c1ccc(C(=O)NCc2nn[n-]n2)cc1 ZINC001192208589 772884786 /nfs/dbraw/zinc/88/47/86/772884786.db2.gz FMJAWEMBEFTQSI-WDEREUQCSA-N -1 1 301.306 0.406 20 0 DCADMM O=C(N[C@@H]1COCCC12OCCO2)c1c(F)ccc([O-])c1F ZINC001192553199 772931494 /nfs/dbraw/zinc/93/14/94/772931494.db2.gz WYHCXKFDEYPKBF-SNVBAGLBSA-N -1 1 315.272 0.932 20 0 DCADMM CC(C)(C)OC(=O)Nc1c[nH]nc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001193000851 772986933 /nfs/dbraw/zinc/98/69/33/772986933.db2.gz DWYGOJSDNNXSIH-UHFFFAOYSA-N -1 1 323.313 0.510 20 0 DCADMM CCOC(=O)C(C)(C)S(=O)(=O)[N-]C1(c2nc(C)no2)CC1 ZINC001193085677 773002573 /nfs/dbraw/zinc/00/25/73/773002573.db2.gz CMDSSHVOBSPBEG-UHFFFAOYSA-N -1 1 317.367 0.628 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N(C)OCC(F)(F)F)n[nH]1 ZINC001193109000 773006615 /nfs/dbraw/zinc/00/66/15/773006615.db2.gz INSJPXGLJZBOOH-UHFFFAOYSA-N -1 1 317.245 0.311 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N(C)OCC(F)(F)F)n[n-]1 ZINC001193109000 773006618 /nfs/dbraw/zinc/00/66/18/773006618.db2.gz INSJPXGLJZBOOH-UHFFFAOYSA-N -1 1 317.245 0.311 20 0 DCADMM C[C@@H](NC(=O)Nc1c(O)[nH]c(=O)[n-]c1=S)c1ccc(F)cc1 ZINC001193166248 773020856 /nfs/dbraw/zinc/02/08/56/773020856.db2.gz HWJXLGHBNHOEOM-MUWHJKNJSA-N -1 1 324.337 0.721 20 0 DCADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NS(=O)(=O)C[C@@H]1CCCO1 ZINC001193206312 773024805 /nfs/dbraw/zinc/02/48/05/773024805.db2.gz BRXCMLUYJUAPKY-YFKPBYRVSA-N -1 1 304.284 0.206 20 0 DCADMM O=C1C[C@H]([N-]S(=O)(=O)c2ncccc2C(F)(F)F)CO1 ZINC001194587267 773212101 /nfs/dbraw/zinc/21/21/01/773212101.db2.gz ZGARFATURYKWDD-LURJTMIESA-N -1 1 310.253 0.694 20 0 DCADMM CC[C@H](C)OCC(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001207850681 773316241 /nfs/dbraw/zinc/31/62/41/773316241.db2.gz ZFIFGHGLIKNXHL-WDEREUQCSA-N -1 1 311.386 0.406 20 0 DCADMM O=C(c1cc([O-])cnc1Cl)N1CCN2C(=O)COC[C@H]2C1 ZINC001195306043 773374280 /nfs/dbraw/zinc/37/42/80/773374280.db2.gz UFUJXZUXRLRONQ-MRVPVSSYSA-N -1 1 311.725 0.124 20 0 DCADMM O=[P@@]([O-])(O)CCCCNS(=O)(=O)c1ccc(O)cc1 ZINC001195825682 773487925 /nfs/dbraw/zinc/48/79/25/773487925.db2.gz WWWWGSZVPTXAFA-UHFFFAOYSA-N -1 1 309.280 0.628 20 0 DCADMM Cc1cc(NC(=O)c2c[nH]c(=S)[n-]c2=O)n2ncnc2n1 ZINC001196009012 773519483 /nfs/dbraw/zinc/51/94/83/773519483.db2.gz QVVRIGCVSVHQPZ-UHFFFAOYSA-N -1 1 303.307 0.469 20 0 DCADMM CN(C(=O)c1c[nH]c(=S)[n-]c1=O)C1CCS(=O)(=O)CC1 ZINC001196015473 773521589 /nfs/dbraw/zinc/52/15/89/773521589.db2.gz BDSDYZUDLBLRBC-UHFFFAOYSA-N -1 1 317.392 0.120 20 0 DCADMM COc1ncnc(OC)c1CNC(=O)c1c[nH]c(=S)[n-]c1=O ZINC001196023273 773523959 /nfs/dbraw/zinc/52/39/59/773523959.db2.gz IWVPQYMWCGJYPA-UHFFFAOYSA-N -1 1 323.334 0.208 20 0 DCADMM Cc1ncc(CO)c(CNC(=O)c2c[nH]c(=S)[n-]c2=O)c1O ZINC001196023266 773523962 /nfs/dbraw/zinc/52/39/62/773523962.db2.gz IPAXDMHIKSIAHM-UHFFFAOYSA-N -1 1 322.346 0.302 20 0 DCADMM O=C(NC[C@@H]1C(=O)Nc2ccccc21)c1c[nH]c(=S)[n-]c1=O ZINC001196026894 773530428 /nfs/dbraw/zinc/53/04/28/773530428.db2.gz LMWYSQYQAXOVHI-QMMMGPOBSA-N -1 1 316.342 0.937 20 0 DCADMM CC[C@@H](C)CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001209680724 773634656 /nfs/dbraw/zinc/63/46/56/773634656.db2.gz RRLCSNPUNQACHO-JHJVBQTASA-N -1 1 323.441 0.871 20 0 DCADMM COC[C@H](C)CC(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001210416275 773706737 /nfs/dbraw/zinc/70/67/37/773706737.db2.gz DANVDZUIMBNJPV-MNOVXSKESA-N -1 1 311.386 0.264 20 0 DCADMM CSc1nc(Nc2cnn(CS(C)(=O)=O)c2)cc(=O)[n-]1 ZINC001210783977 773737702 /nfs/dbraw/zinc/73/77/02/773737702.db2.gz HIWPKQLTJOFGLO-UHFFFAOYSA-N -1 1 315.380 0.846 20 0 DCADMM CCOCCCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001214202453 773939838 /nfs/dbraw/zinc/93/98/38/773939838.db2.gz QGIKRWGUYVRBDZ-GHMZBOCLSA-N -1 1 311.386 0.264 20 0 DCADMM C[C@@H]1CN(C(=O)CCOCC2CC2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001214617597 774002793 /nfs/dbraw/zinc/00/27/93/774002793.db2.gz YXWSYBVYYRVDMC-ZYHUDNBSSA-N -1 1 323.397 0.264 20 0 DCADMM COc1ncc(-n2cc(N)c(C)cc2=N)cc1[N-]S(C)(=O)=O ZINC001216154066 774106012 /nfs/dbraw/zinc/10/60/12/774106012.db2.gz QDXXXJKPXQTMSI-UHFFFAOYSA-N -1 1 323.378 0.622 20 0 DCADMM CNS(=O)(=O)c1ccccc1Nc1cc(=O)[n-]c(N(C)C)n1 ZINC001216532322 774121276 /nfs/dbraw/zinc/12/12/76/774121276.db2.gz NASCBVBIKCFQLE-UHFFFAOYSA-N -1 1 323.378 0.900 20 0 DCADMM CCCCC(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001199894083 774221110 /nfs/dbraw/zinc/22/11/10/774221110.db2.gz VBECPPJSVDEINY-NSHDSACASA-N -1 1 311.386 0.408 20 0 DCADMM O=C([O-])CCC(=O)CNC(=S)NCCN1CCCCC1 ZINC001200445851 774344305 /nfs/dbraw/zinc/34/43/05/774344305.db2.gz HKYKGGOIKRZFPU-UHFFFAOYSA-N -1 1 301.412 0.370 20 0 DCADMM CC(C)(C)OC(=O)N1CC[C@H](OCCOCc2nn[n-]n2)C1 ZINC001223027797 775453503 /nfs/dbraw/zinc/45/35/03/775453503.db2.gz TVWUPLFZBBADOG-JTQLQIEISA-N -1 1 313.358 0.742 20 0 DCADMM CC(=O)N1CCC(Oc2cc(=O)[n-]c(N3CCOCC3)n2)CC1 ZINC001226722594 775867712 /nfs/dbraw/zinc/86/77/12/775867712.db2.gz NRYBJLMMEJJGJT-UHFFFAOYSA-N -1 1 322.365 0.409 20 0 DCADMM CC1=C(Oc2cc(=O)[n-]c(N3CCOCC3)n2)C(=O)O[C@@H]1C ZINC001226727504 775868663 /nfs/dbraw/zinc/86/86/63/775868663.db2.gz GGDHFAOMCHXCDE-SECBINFHSA-N -1 1 307.306 0.617 20 0 DCADMM CC/C(C)=C\C(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001227211220 775945157 /nfs/dbraw/zinc/94/51/57/775945157.db2.gz MIDBXMVITHOIDG-LUAWRHEFSA-N -1 1 307.398 0.545 20 0 DCADMM CCC(=O)c1c(O)cc([O-])cc1OC[C@@H]1OCCN(C)C1=O ZINC001228557044 776094762 /nfs/dbraw/zinc/09/47/62/776094762.db2.gz SQHFRNBZBUXLQH-ZDUSSCGKSA-N -1 1 309.318 0.927 20 0 DCADMM O=C(NCC1=CCCOC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001229358897 776184596 /nfs/dbraw/zinc/18/45/96/776184596.db2.gz BHQWFMKEVHTAAB-UHFFFAOYSA-N -1 1 320.349 0.401 20 0 DCADMM O=C(N[C@@H]1C[C@@H](Nc2nccnc2F)C12CCC2)c1cnn[nH]1 ZINC001041618394 777391364 /nfs/dbraw/zinc/39/13/64/777391364.db2.gz MTZKDHIRLYPFNB-NXEZZACHSA-N -1 1 317.328 0.887 20 0 DCADMM C[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H](CO)O1 ZINC001590320716 1166863812 /nfs/dbraw/zinc/86/38/12/1166863812.db2.gz RCNCLRRKAUGLPF-WDSKDSINSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H](CO)O1 ZINC001590320716 1166863820 /nfs/dbraw/zinc/86/38/20/1166863820.db2.gz RCNCLRRKAUGLPF-WDSKDSINSA-N -1 1 316.774 0.563 20 0 DCADMM CC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)NC ZINC001590474228 1166920527 /nfs/dbraw/zinc/92/05/27/1166920527.db2.gz BDPJVSDJWXSMTE-BYPYZUCNSA-N -1 1 301.763 0.913 20 0 DCADMM CC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)NC ZINC001590474228 1166920532 /nfs/dbraw/zinc/92/05/32/1166920532.db2.gz BDPJVSDJWXSMTE-BYPYZUCNSA-N -1 1 301.763 0.913 20 0 DCADMM CSC[C@@H](C)COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591694590 1167355809 /nfs/dbraw/zinc/35/58/09/1167355809.db2.gz IDNJZXUATFMRLD-JGVFFNPUSA-N -1 1 311.371 0.562 20 0 DCADMM Cc1nsc(NCCC2(O)CCOCC2)c1-c1nn[n-]n1 ZINC001592490131 1167538426 /nfs/dbraw/zinc/53/84/26/1167538426.db2.gz FJOAATMZKOCJHM-UHFFFAOYSA-N -1 1 310.383 0.975 20 0 DCADMM Cc1cc(S(=O)(=O)N2CCNCC2(C)C)oc1C(=O)[O-] ZINC001600294669 1168157831 /nfs/dbraw/zinc/15/78/31/1168157831.db2.gz DXSYQOHAPKZKCP-UHFFFAOYSA-N -1 1 302.352 0.659 20 0 DCADMM Cc1nnc(SCC(=O)N2CCSC[C@@H]2C(=O)[O-])[nH]1 ZINC001600674134 1168244387 /nfs/dbraw/zinc/24/43/87/1168244387.db2.gz BPUPIYINEGQCIU-SSDOTTSWSA-N -1 1 302.381 0.234 20 0 DCADMM Cc1n[nH]c(SCC(=O)N2CCSC[C@@H]2C(=O)[O-])n1 ZINC001600674134 1168244393 /nfs/dbraw/zinc/24/43/93/1168244393.db2.gz BPUPIYINEGQCIU-SSDOTTSWSA-N -1 1 302.381 0.234 20 0 DCADMM O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001601749517 1168848765 /nfs/dbraw/zinc/84/87/65/1168848765.db2.gz FBOLNQQSYBOVPZ-SVRRBLITSA-N -1 1 307.228 0.479 20 0 DCADMM O=C([O-])CNC(=O)CCN1CCS[C@@H](C(F)(F)F)C1 ZINC001602065706 1168982278 /nfs/dbraw/zinc/98/22/78/1168982278.db2.gz MOAXQVPOSLTYMB-SSDOTTSWSA-N -1 1 300.302 0.557 20 0 DCADMM CC(=O)OC(C)(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001602955716 1169219511 /nfs/dbraw/zinc/21/95/11/1169219511.db2.gz DLBCWVGXWPVKRY-UHFFFAOYSA-N -1 1 309.351 0.886 20 0 DCADMM CC[C@H](C)NC(=O)[C@H](C)N(C)CCNC(=O)c1ncccc1[O-] ZINC001480856925 939025053 /nfs/dbraw/zinc/02/50/53/939025053.db2.gz MLARWJZNIGHNEW-RYUDHWBXSA-N -1 1 322.409 0.752 20 0 DCADMM CCCCCC(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001266499445 939137262 /nfs/dbraw/zinc/13/72/62/939137262.db2.gz AYKQPADTYOIMBZ-GFCCVEGCSA-N -1 1 309.414 0.627 20 0 DCADMM Cn1[n-]c(CN2CC[C@H](CNC(=O)/C=C/C(C)(C)C)C2)nc1=O ZINC001266505265 939139882 /nfs/dbraw/zinc/13/98/82/939139882.db2.gz GKVDFULVNJCYED-HOSRBBHYSA-N -1 1 321.425 0.649 20 0 DCADMM CC[C@@H](C)n1nccc1C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1 ZINC001266714008 939219342 /nfs/dbraw/zinc/21/93/42/939219342.db2.gz YQPLVUBSKHAZJW-SNVBAGLBSA-N -1 1 321.385 0.540 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CCCOCC1 ZINC001408554513 939323136 /nfs/dbraw/zinc/32/31/36/939323136.db2.gz RXFVYSYCSSCBGQ-LBPRGKRZSA-N -1 1 321.377 0.792 20 0 DCADMM C[C@@H]1CC[C@H](CCC(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)O1 ZINC001267106103 939344821 /nfs/dbraw/zinc/34/48/21/939344821.db2.gz QYGAMKBMLKLBMP-GHMZBOCLSA-N -1 1 311.386 0.406 20 0 DCADMM CN(CCNC(=O)c1cc2occc2[nH]1)Cc1nc(=O)n(C)[n-]1 ZINC001267197384 939382473 /nfs/dbraw/zinc/38/24/73/939382473.db2.gz MCMTYHOPSWXNQF-UHFFFAOYSA-N -1 1 318.337 0.045 20 0 DCADMM CC[N@H+](CCNC(=O)c1ccccc1O)[C@@H](C)C(=O)N(C)C ZINC001480963459 939503350 /nfs/dbraw/zinc/50/33/50/939503350.db2.gz QAEQEGFNGQRTMW-LBPRGKRZSA-N -1 1 307.394 0.921 20 0 DCADMM Cc1nc(C)c(CC(=O)NCC[N@@H+](CCF)C2CC2)c(=O)[nH]1 ZINC001481196354 939606797 /nfs/dbraw/zinc/60/67/97/939606797.db2.gz BVDPMGSEQCUJQP-UHFFFAOYSA-N -1 1 310.373 0.892 20 0 DCADMM O=C(NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnsn1 ZINC001481420286 939780609 /nfs/dbraw/zinc/78/06/09/939780609.db2.gz JCPQYIOBWNSDMU-QMMMGPOBSA-N -1 1 323.382 0.004 20 0 DCADMM C[C@@H](C(=O)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001481425437 939784001 /nfs/dbraw/zinc/78/40/01/939784001.db2.gz UIKNDUFBEIXGGT-GHMZBOCLSA-N -1 1 307.398 0.885 20 0 DCADMM CC(C)(C)NC(=O)CN1CC(NC(=O)c2ncccc2[O-])C1 ZINC001481553370 939934456 /nfs/dbraw/zinc/93/44/56/939934456.db2.gz NICKRMFBMOEDGT-UHFFFAOYSA-N -1 1 306.366 0.116 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1cnc(C)s1 ZINC001268441517 940123118 /nfs/dbraw/zinc/12/31/18/940123118.db2.gz ULNBGLGVIWIBOQ-UHFFFAOYSA-N -1 1 310.383 0.527 20 0 DCADMM CCOC1CC(C(=O)NC[C@H](CC)NCc2n[nH]c(=O)[n-]2)C1 ZINC001481808013 940143544 /nfs/dbraw/zinc/14/35/44/940143544.db2.gz QKPWPKVVTLXGKG-YVNMAJEFSA-N -1 1 311.386 0.310 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@H](C)CN[C@H](C)c2nncn2C)c1[O-] ZINC001482089150 940251712 /nfs/dbraw/zinc/25/17/12/940251712.db2.gz JMVREEXZQLSLOG-PSASIEDQSA-N -1 1 321.385 0.269 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NCc2ccccc2F)[n-]n1 ZINC001414205381 940274444 /nfs/dbraw/zinc/27/44/44/940274444.db2.gz PTKWLHLGGYDXBJ-UHFFFAOYSA-N -1 1 313.310 0.814 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NCc2ccccc2F)n[n-]1 ZINC001414205381 940274446 /nfs/dbraw/zinc/27/44/46/940274446.db2.gz PTKWLHLGGYDXBJ-UHFFFAOYSA-N -1 1 313.310 0.814 20 0 DCADMM CC(C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)=C1CCC1 ZINC001269066189 940608797 /nfs/dbraw/zinc/60/87/97/940608797.db2.gz ANVQOPDHQUETOX-GFCCVEGCSA-N -1 1 305.382 0.995 20 0 DCADMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCCC1)c1ccsn1 ZINC001482221989 940715441 /nfs/dbraw/zinc/71/54/41/940715441.db2.gz HBPJRNAJINVYIL-UHFFFAOYSA-N -1 1 322.394 0.799 20 0 DCADMM CC[C@@H](C)N1CC[C@@]2(CCCN2C(=O)Cc2nn[n-]n2)C1=O ZINC001269576546 940735074 /nfs/dbraw/zinc/73/50/74/940735074.db2.gz OUBLCOWBSBSXND-YGRLFVJLSA-N -1 1 306.370 0.134 20 0 DCADMM COCCOCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])cn1 ZINC001269894688 940794092 /nfs/dbraw/zinc/79/40/92/940794092.db2.gz ANWFXOACNLPXTH-BETUJISGSA-N -1 1 321.377 0.697 20 0 DCADMM COCCOCN1CC[C@H]2[C@@H]1CCN2C(=O)c1ncccc1[O-] ZINC001270258136 940866736 /nfs/dbraw/zinc/86/67/36/940866736.db2.gz MXYQCOBCXIDMNN-STQMWFEESA-N -1 1 321.377 0.697 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)NC[C@]2(C)CCC(=O)N2)c1 ZINC001414277935 940968979 /nfs/dbraw/zinc/96/89/79/940968979.db2.gz DJSHDZGIEOKQDN-ZDUSSCGKSA-N -1 1 314.363 0.348 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)C(C)C ZINC001414282351 940993895 /nfs/dbraw/zinc/99/38/95/940993895.db2.gz QXMOXFXGCOVFEL-SKDRFNHKSA-N -1 1 301.368 0.909 20 0 DCADMM Cc1c[nH]c(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)CC(C)C)n1 ZINC001482395647 941209994 /nfs/dbraw/zinc/20/99/94/941209994.db2.gz MAKXOTGTEHWOJM-JTQLQIEISA-N -1 1 321.385 0.476 20 0 DCADMM O=C(c1cncc([O-])c1)N1CC[C@]2(CCN(C3COC3)C2=O)C1 ZINC001271387288 941364334 /nfs/dbraw/zinc/36/43/34/941364334.db2.gz SMUWHHRBJPEELJ-INIZCTEOSA-N -1 1 317.345 0.251 20 0 DCADMM Cc1nc(C)c(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C(C)C)[nH]1 ZINC001482553200 941491528 /nfs/dbraw/zinc/49/15/28/941491528.db2.gz NRXAMGIYWYVTJN-JTQLQIEISA-N -1 1 321.385 0.394 20 0 DCADMM CSc1ncc(C(=O)N2CC[C@@]3(CCN(C)C3=O)C2)c(=O)[n-]1 ZINC001272233622 941857898 /nfs/dbraw/zinc/85/78/98/941857898.db2.gz HRLBPGAETNZGAR-AWEZNQCLSA-N -1 1 322.390 0.599 20 0 DCADMM C[C@H](NCc1nccs1)[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001409355586 941961020 /nfs/dbraw/zinc/96/10/20/941961020.db2.gz FJVZOLMNRRLJIM-BQBZGAKWSA-N -1 1 324.366 0.036 20 0 DCADMM C[C@@H](CNC(=O)[C@H](C)C(C)(F)F)N(C)Cc1nn(C)c(=O)[n-]1 ZINC001409613777 942089675 /nfs/dbraw/zinc/08/96/75/942089675.db2.gz FUSFABNFFVEUGN-IUCAKERBSA-N -1 1 319.356 0.336 20 0 DCADMM CC[C@@H]1C[C@@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CCO1 ZINC001412893708 942128371 /nfs/dbraw/zinc/12/83/71/942128371.db2.gz BYFOITIIKGTLHM-WDEREUQCSA-N -1 1 309.370 0.215 20 0 DCADMM CSc1ncc(C(=O)NCC(=O)Nc2ccn(C)n2)c(=O)[n-]1 ZINC001412900343 942129332 /nfs/dbraw/zinc/12/93/32/942129332.db2.gz URHBBUADFWBJAA-UHFFFAOYSA-N -1 1 322.350 0.006 20 0 DCADMM Cc1cocc1C(=O)NC[C@@H](CO)NC(=O)c1ncccc1[O-] ZINC001412956633 942156881 /nfs/dbraw/zinc/15/68/81/942156881.db2.gz IHSVYDQOAPSBNU-JTQLQIEISA-N -1 1 319.317 0.209 20 0 DCADMM COc1ncc(CN(CCNC(C)=O)[C@H](C)C(=O)[O-])c(C)n1 ZINC001611074907 970881715 /nfs/dbraw/zinc/88/17/15/970881715.db2.gz YOARBGOORJIOLN-SNVBAGLBSA-N -1 1 310.354 0.205 20 0 DCADMM C[C@H]1CN(Cc2nc3c(c(=O)[n-]2)COCC3)CC[S@@](=O)C1 ZINC001412976764 942172285 /nfs/dbraw/zinc/17/22/85/942172285.db2.gz NUGXIKYFFYHNKY-CHNSCGDPSA-N -1 1 311.407 0.455 20 0 DCADMM COCc1ncc(CNC(=O)c2ccc([O-])c(F)c2)c(N)n1 ZINC001413002472 942184944 /nfs/dbraw/zinc/18/49/44/942184944.db2.gz KXQWYYDTNPYNMU-UHFFFAOYSA-N -1 1 306.297 0.980 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1c(C)n[nH]c1C ZINC001413051142 942262896 /nfs/dbraw/zinc/26/28/96/942262896.db2.gz OCWLQFSBXPWFOW-RXMQYKEDSA-N -1 1 307.310 0.727 20 0 DCADMM C[C@H](NCC(=O)NCC(=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC001611113270 970894784 /nfs/dbraw/zinc/89/47/84/970894784.db2.gz IQXFSOXWSQNXLH-JTQLQIEISA-N -1 1 320.324 0.863 20 0 DCADMM O=C(C=Cc1ccc[nH]1)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001483556043 942417490 /nfs/dbraw/zinc/41/74/90/942417490.db2.gz ALTKLYLUPNIWCH-FJOGCWAESA-N -1 1 316.365 0.536 20 0 DCADMM Cc1cc(C)c(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)[nH]1 ZINC001483570414 942430545 /nfs/dbraw/zinc/43/05/45/942430545.db2.gz JQECXNOSYHLKHU-NSHDSACASA-N -1 1 318.381 0.753 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])Nc1n[nH]cc1C1CC1 ZINC001413175434 942542694 /nfs/dbraw/zinc/54/26/94/942542694.db2.gz ACJRBBOSOJQNLZ-UHFFFAOYSA-N -1 1 301.306 0.756 20 0 DCADMM CN(C[C@@H](O)CNC(=O)CC1(C)CC1)C(=O)c1ncccc1[O-] ZINC001413254844 942590597 /nfs/dbraw/zinc/59/05/97/942590597.db2.gz WBCCTRSXJURXIX-NSHDSACASA-N -1 1 321.377 0.527 20 0 DCADMM CC[C@@H](C)NC(=O)CN1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001483645229 942619630 /nfs/dbraw/zinc/61/96/30/942619630.db2.gz GNGKMFJRPUVMCT-NEPJUHHUSA-N -1 1 320.393 0.506 20 0 DCADMM C[C@@H](C(=O)N1CCN(CC(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000322895669 970941718 /nfs/dbraw/zinc/94/17/18/970941718.db2.gz FGDDZBVKURAVPF-LLVKDONJSA-N -1 1 321.333 0.927 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)[n-]n1 ZINC001413340915 942908192 /nfs/dbraw/zinc/90/81/92/942908192.db2.gz JORSVHZSODVLBD-SCZZXKLOSA-N -1 1 317.367 0.026 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)n[n-]1 ZINC001413340915 942908199 /nfs/dbraw/zinc/90/81/99/942908199.db2.gz JORSVHZSODVLBD-SCZZXKLOSA-N -1 1 317.367 0.026 20 0 DCADMM CCCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001413347726 942915867 /nfs/dbraw/zinc/91/58/67/942915867.db2.gz IINMLJUDWKPNGG-GFCCVEGCSA-N -1 1 323.393 0.869 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)N(C)C(C)(C)C(N)=O)c1 ZINC001413362708 942925657 /nfs/dbraw/zinc/92/56/57/942925657.db2.gz WQFIGSZTLXMEJH-UHFFFAOYSA-N -1 1 302.352 0.285 20 0 DCADMM CSc1ncc(C(=O)N2CCNC(=O)CC2(C)C)c(=O)[n-]1 ZINC001413365494 942931291 /nfs/dbraw/zinc/93/12/91/942931291.db2.gz GXFCXRXHFQXWON-UHFFFAOYSA-N -1 1 310.379 0.645 20 0 DCADMM O=C(c1ccc2nsnc2c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001413385732 942941015 /nfs/dbraw/zinc/94/10/15/942941015.db2.gz JUAVFTFVMFCKQA-SNVBAGLBSA-N -1 1 317.334 0.418 20 0 DCADMM COC(=O)CC1CC([N-]S(=O)(=O)c2c[nH]nc2Cl)C1 ZINC001413434279 942976837 /nfs/dbraw/zinc/97/68/37/942976837.db2.gz SZFFAGAUQSBLCG-UHFFFAOYSA-N -1 1 307.759 0.683 20 0 DCADMM CSCc1nc(C[N-]S(=O)(=O)c2ccns2)n[nH]1 ZINC001413445649 942983029 /nfs/dbraw/zinc/98/30/29/942983029.db2.gz JJDUENBQBDNJOP-UHFFFAOYSA-N -1 1 305.410 0.603 20 0 DCADMM COc1cc(C)cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1O ZINC001413472159 943004217 /nfs/dbraw/zinc/00/42/17/943004217.db2.gz RUIJJKXNIYGEFK-SECBINFHSA-N -1 1 303.322 0.852 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@]2(O)CCN(C/C=C\Cl)C2)c1[O-] ZINC001484216758 943215578 /nfs/dbraw/zinc/21/55/78/943215578.db2.gz XKAAYVOMIHVFIT-QDOCKXBDSA-N -1 1 314.773 0.343 20 0 DCADMM NC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001276380178 943504656 /nfs/dbraw/zinc/50/46/56/943504656.db2.gz ITVOYFMFDPLROG-APPDUMDISA-N -1 1 324.340 0.939 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)c1ccccc1O ZINC001485127745 943713098 /nfs/dbraw/zinc/71/30/98/943713098.db2.gz ZTVDVMQXDHFBPJ-BDAKNGLRSA-N -1 1 305.338 0.513 20 0 DCADMM COCC(=O)NCCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001491067068 943732040 /nfs/dbraw/zinc/73/20/40/943732040.db2.gz UJIVJNLGIHVMSD-UHFFFAOYSA-N -1 1 310.354 0.106 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)Cc1ccn(C)n1 ZINC001485294151 943803317 /nfs/dbraw/zinc/80/33/17/943803317.db2.gz TVHGQIPIGMORMM-LLVKDONJSA-N -1 1 303.366 0.771 20 0 DCADMM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1[nH]nc2ccccc21 ZINC001611401412 971027408 /nfs/dbraw/zinc/02/74/08/971027408.db2.gz DKAUWOGCWVSYSV-GFCCVEGCSA-N -1 1 309.347 0.247 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001485340673 943851869 /nfs/dbraw/zinc/85/18/69/943851869.db2.gz YASRHCBHMGMQQO-GXSJLCMTSA-N -1 1 301.366 0.039 20 0 DCADMM CCCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001485345669 943858125 /nfs/dbraw/zinc/85/81/25/943858125.db2.gz OJSGRIAIOSSJMP-NSHDSACASA-N -1 1 311.430 0.871 20 0 DCADMM CC/C(C)=C\C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001491313463 943910101 /nfs/dbraw/zinc/91/01/01/943910101.db2.gz APPSGEUMFIVHJE-PBBOCQRBSA-N -1 1 305.382 0.011 20 0 DCADMM C[C@@H](NC(=O)[C@@H](C)C1CCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001409925025 944178647 /nfs/dbraw/zinc/17/86/47/944178647.db2.gz SCDZBBCTAZXRKX-WDEREUQCSA-N -1 1 321.425 0.481 20 0 DCADMM O=C([O-])[C@H]1CCN(CN2CCN(Cc3cccnc3)C2=O)C1 ZINC001601828840 971060818 /nfs/dbraw/zinc/06/08/18/971060818.db2.gz ZPOZFPIFDIQBDQ-ZDUSSCGKSA-N -1 1 304.350 0.683 20 0 DCADMM C[C@H](CN(C)C(=O)Cc1ccc(F)cc1)NCc1n[nH]c(=O)[n-]1 ZINC001485950829 944411459 /nfs/dbraw/zinc/41/14/59/944411459.db2.gz CSDWLPBDFUKHMT-SNVBAGLBSA-N -1 1 321.356 0.829 20 0 DCADMM O=C([O-])CC[C@H]1CCCN([C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC001601976804 971101465 /nfs/dbraw/zinc/10/14/65/971101465.db2.gz WTCHGHAKIZEJRY-VXGBXAGGSA-N -1 1 312.366 0.073 20 0 DCADMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccnnc1 ZINC001486414120 944864634 /nfs/dbraw/zinc/86/46/34/944864634.db2.gz VPZBQKBSDXDSSA-SNVBAGLBSA-N -1 1 319.369 0.235 20 0 DCADMM COCCOCCN1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001277580193 944890180 /nfs/dbraw/zinc/89/01/80/944890180.db2.gz DWVPUGRSNMQXHE-UHFFFAOYSA-N -1 1 309.366 0.206 20 0 DCADMM COCC(=O)N[C@H](C)[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001486633753 945014847 /nfs/dbraw/zinc/01/48/47/945014847.db2.gz YSYMIIXKLRLGOU-BDAKNGLRSA-N -1 1 322.365 0.329 20 0 DCADMM CCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)CC2(C)C)CC1 ZINC001410014440 945516991 /nfs/dbraw/zinc/51/69/91/945516991.db2.gz DMWIOLZYVMRSIU-LLVKDONJSA-N -1 1 321.425 0.625 20 0 DCADMM CSCCNC(=S)NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC001319446287 945590289 /nfs/dbraw/zinc/59/02/89/945590289.db2.gz KVYQYRRJMXWWFZ-UHFFFAOYSA-N -1 1 313.412 0.223 20 0 DCADMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCc2nc[nH]c2C12CCOCC2 ZINC001602175331 971163404 /nfs/dbraw/zinc/16/34/04/971163404.db2.gz IUMBLGLOYPFYIX-WDEREUQCSA-N -1 1 319.361 0.911 20 0 DCADMM COc1nscc1S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)(C)C ZINC001364794541 945730462 /nfs/dbraw/zinc/73/04/62/945730462.db2.gz KNDQXYOPNKONBL-ZETCQYMHSA-N -1 1 321.424 0.733 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1cnc(C)nc1C ZINC001320872356 946048352 /nfs/dbraw/zinc/04/83/52/946048352.db2.gz UOQFHIFEPQFIHZ-UHFFFAOYSA-N -1 1 319.369 0.169 20 0 DCADMM CCOC(=O)C[C@H](O)CNc1[nH]c(=S)[n-]c(=O)c1N=O ZINC001253792243 946184066 /nfs/dbraw/zinc/18/40/66/946184066.db2.gz OWHFZDUEXCSECP-YFKPBYRVSA-N -1 1 302.312 0.595 20 0 DCADMM CC(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573486329 946238672 /nfs/dbraw/zinc/23/86/72/946238672.db2.gz DBKASELDZLUGDM-KOLCDFICSA-N -1 1 316.369 0.398 20 0 DCADMM CC(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573486329 946238680 /nfs/dbraw/zinc/23/86/80/946238680.db2.gz DBKASELDZLUGDM-KOLCDFICSA-N -1 1 316.369 0.398 20 0 DCADMM CC(=O)N[C@H](C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573486961 946245519 /nfs/dbraw/zinc/24/55/19/946245519.db2.gz JPZTZHUSXWHXTF-MWLCHTKSSA-N -1 1 316.369 0.398 20 0 DCADMM CC(=O)N[C@H](C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573486961 946245528 /nfs/dbraw/zinc/24/55/28/946245528.db2.gz JPZTZHUSXWHXTF-MWLCHTKSSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CNC(=O)CC[C@@H]1CCCO1)NC(=O)c1ncccc1[O-] ZINC001410357813 946255554 /nfs/dbraw/zinc/25/55/54/946255554.db2.gz XJRZGWMJVGMETC-RYUDHWBXSA-N -1 1 321.377 0.981 20 0 DCADMM C[C@@H](CNC(=O)CC[C@H]1CCCO1)NC(=O)c1ncccc1[O-] ZINC001410357811 946255873 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C[C@@H](CNC(=O)c1ccoc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575039680 951333547 /nfs/dbraw/zinc/33/35/47/951333547.db2.gz RMFTUWQGRKJOPC-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM O=S(=O)([N-][C@H]1CCS(=O)(=O)C1)c1sccc1Cl ZINC001365634098 951353366 /nfs/dbraw/zinc/35/33/66/951353366.db2.gz UGWVKYOSAHGSBG-LURJTMIESA-N -1 1 315.825 0.867 20 0 DCADMM O=S(=O)([N-]Cc1cc[nH]n1)c1nc[nH]c1Br ZINC001365634693 951356924 /nfs/dbraw/zinc/35/69/24/951356924.db2.gz OSNPDKYRYFCMKY-UHFFFAOYSA-N -1 1 306.145 0.374 20 0 DCADMM CC[C@H](C)c1nc([C@@H](C)NC(=O)N=c2nn[n-]n2CC)n[nH]1 ZINC001365821930 951584667 /nfs/dbraw/zinc/58/46/67/951584667.db2.gz MJNRCPBDAVUBKD-JGVFFNPUSA-N -1 1 307.362 0.629 20 0 DCADMM O=C([O-])CN1CCCC[C@@H](NCc2cnc3ccccn23)C1=O ZINC001595095915 951813584 /nfs/dbraw/zinc/81/35/84/951813584.db2.gz JPGAAFLMYZFWJA-CYBMUJFWSA-N -1 1 316.361 0.890 20 0 DCADMM O=C([O-])CN1CCCC[C@H](NCc2cnn3ccccc23)C1=O ZINC001595096188 951815895 /nfs/dbraw/zinc/81/58/95/951815895.db2.gz MOEBPLRBKLAHFB-ZDUSSCGKSA-N 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C[C@H]1c2nc(C(N)=O)cn2CCN1C(=O)c1cncc([O-])c1 ZINC001275623789 952320192 /nfs/dbraw/zinc/32/01/92/952320192.db2.gz OTJLYDVEXUSLCF-QMMMGPOBSA-N -1 1 301.306 0.300 20 0 DCADMM COc1cccc(CNC(=O)CCCc2nn[n-]n2)c1OC ZINC001411642436 952350593 /nfs/dbraw/zinc/35/05/93/952350593.db2.gz RILVMCJLVFRGIB-UHFFFAOYSA-N -1 1 305.338 0.856 20 0 DCADMM CCc1nc[nH]c1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC001411701288 952395122 /nfs/dbraw/zinc/39/51/22/952395122.db2.gz UWQGGVMWTGBFHK-UHFFFAOYSA-N -1 1 316.368 0.447 20 0 DCADMM CSc1nc(CNC(=O)[C@@H]2CCCN(C)C2=O)cc(=O)[n-]1 ZINC001334961706 952424316 /nfs/dbraw/zinc/42/43/16/952424316.db2.gz JWBCKHCUDAGRKA-VIFPVBQESA-N -1 1 310.379 0.389 20 0 DCADMM O=C(CCc1nn[n-]n1)NCC(=O)OCc1ccccc1Cl ZINC001411786887 952450536 /nfs/dbraw/zinc/45/05/36/952450536.db2.gz QRKDVYCXKUWOHE-UHFFFAOYSA-N -1 1 323.740 0.645 20 0 DCADMM O=C(CCCc1nn[n-]n1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC001411850340 952482444 /nfs/dbraw/zinc/48/24/44/952482444.db2.gz GYMSWAOZQCPCHV-LBPRGKRZSA-N -1 1 320.378 0.284 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](CO)c1cnn(C)c1 ZINC001411982836 952580178 /nfs/dbraw/zinc/58/01/78/952580178.db2.gz WIMCJAYXQGUBIS-SECBINFHSA-N -1 1 323.378 0.409 20 0 DCADMM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCSC[C@H]2c2nn[n-]n2)C1 ZINC001412040200 952614342 /nfs/dbraw/zinc/61/43/42/952614342.db2.gz FQDQANGKDQDOML-BBBLOLIVSA-N -1 1 324.410 0.108 20 0 DCADMM CSc1ncc(C(=O)N2CC[C@H](C)C[C@H]2C(N)=O)c(=O)[n-]1 ZINC001412045049 952616931 /nfs/dbraw/zinc/61/69/31/952616931.db2.gz MLHIDDJVVHHYDV-CBAPKCEASA-N -1 1 310.379 0.630 20 0 DCADMM O=C(Cc1cncc2ccccc21)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001335991063 952629088 /nfs/dbraw/zinc/62/90/88/952629088.db2.gz LWNWUEAEFYHGQU-AWEZNQCLSA-N -1 1 324.344 0.891 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCc1ncccc1F ZINC001412087867 952640604 /nfs/dbraw/zinc/64/06/04/952640604.db2.gz BHSZFHWEPLHLNH-UHFFFAOYSA-N -1 1 304.281 0.368 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCC2(CCOCC2)C1 ZINC001412093890 952641879 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CC(C)[C@@H](CCNC(=O)[C@@H]1CCCO1)NC(=O)c1cnn[nH]1 ZINC001412294408 952736775 /nfs/dbraw/zinc/73/67/75/952736775.db2.gz QGDUYXJTAYACHC-PWSUYJOCSA-N -1 1 309.370 0.244 20 0 DCADMM Cn1cccc1C(=O)N1CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001412366315 952761421 /nfs/dbraw/zinc/76/14/21/952761421.db2.gz PJIQXMJFRYBKSP-UHFFFAOYSA-N -1 1 314.345 0.724 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCC1(O)CCC(F)(F)CC1 ZINC001412366243 952762031 /nfs/dbraw/zinc/76/20/31/952762031.db2.gz NORDRZOHFTYIAS-UHFFFAOYSA-N -1 1 303.313 0.579 20 0 DCADMM CSCC[C@H](NC(=O)CCCn1ccnc1)c1nn[n-]n1 ZINC001412371223 952764608 /nfs/dbraw/zinc/76/46/08/952764608.db2.gz VCXLJIAOTCWXRE-JTQLQIEISA-N -1 1 309.399 0.787 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@]34C[C@H]3CCC4)ccnc1-2 ZINC001337177566 952823979 /nfs/dbraw/zinc/82/39/79/952823979.db2.gz VVIUUGAEQAKRTC-HWPZZCPQSA-N -1 1 313.361 0.587 20 0 DCADMM C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1occc1C(=O)[O-] ZINC001604786026 1169680584 /nfs/dbraw/zinc/68/05/84/1169680584.db2.gz NEZWHWYEKYMEOZ-GXSJLCMTSA-N -1 1 316.379 0.939 20 0 DCADMM O=C(Cn1cc(C2CC2)nn1)OCCC[N-]C(=O)C(F)(F)F ZINC001337204951 952827572 /nfs/dbraw/zinc/82/75/72/952827572.db2.gz JHPVDHBEKAEEHX-UHFFFAOYSA-N -1 1 320.271 0.767 20 0 DCADMM CC(=O)NCc1ccc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)cc1 ZINC001412487657 952838506 /nfs/dbraw/zinc/83/85/06/952838506.db2.gz IPMFLHRDFADOBV-ZDUSSCGKSA-N -1 1 314.349 0.466 20 0 DCADMM CCCOc1ccnc(CC(=O)N2CC[C@H](c3nn[n-]n3)C2)n1 ZINC001412487606 952838759 /nfs/dbraw/zinc/83/87/59/952838759.db2.gz ILWYUGLAKLNHGY-JTQLQIEISA-N -1 1 317.353 0.337 20 0 DCADMM COC(=O)c1ccccc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001412530487 952871824 /nfs/dbraw/zinc/87/18/24/952871824.db2.gz IVXGCYDYDNKCLA-NSHDSACASA-N -1 1 317.305 0.200 20 0 DCADMM C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1occc1C(=O)[O-] ZINC001604786027 1169681525 /nfs/dbraw/zinc/68/15/25/1169681525.db2.gz NEZWHWYEKYMEOZ-KOLCDFICSA-N -1 1 316.379 0.939 20 0 DCADMM COC[C@@H](NC(=O)Cn1nc(C)c(Cl)c1C)c1nn[n-]n1 ZINC001412599051 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CC1(CCC(=O)N[C@@H](CO)CNC(=O)c2ncccc2[O-])CC1 ZINC001412811900 953108639 /nfs/dbraw/zinc/10/86/39/953108639.db2.gz ONOPKNKSBLBTBB-LLVKDONJSA-N -1 1 321.377 0.574 20 0 DCADMM CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nc[nH]n2)n1 ZINC001412826242 953115903 /nfs/dbraw/zinc/11/59/03/953115903.db2.gz HXOVUEXCAYRAMV-UHFFFAOYSA-N -1 1 301.715 0.509 20 0 DCADMM O=C([O-])[C@]1(C(=O)Nc2cccc(OCCF)c2)CNCCO1 ZINC001339986344 953136521 /nfs/dbraw/zinc/13/65/21/953136521.db2.gz PFQONPNDDHCXKV-CQSZACIVSA-N -1 1 312.297 0.417 20 0 DCADMM Cc1ccccc1OCCCNC(=O)[C@]1(C(=O)[O-])CNCCO1 ZINC001340032808 953139729 /nfs/dbraw/zinc/13/97/29/953139729.db2.gz FQNDDGSANZPDAA-INIZCTEOSA-N -1 1 322.361 0.323 20 0 DCADMM COc1cc(NC(=O)[C@@]2(C(=O)[O-])CNCCO2)ccc1Cl ZINC001340319344 953161283 /nfs/dbraw/zinc/16/12/83/953161283.db2.gz JDZHJNQVQHNAGY-CYBMUJFWSA-N -1 1 314.725 0.730 20 0 DCADMM C[C@H](CS(=O)(=O)NCCCN1CCCO[C@@H](C)C1)C(=O)[O-] ZINC001604795944 1169687564 /nfs/dbraw/zinc/68/75/64/1169687564.db2.gz 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DCADMM CSCC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001385698864 986530525 /nfs/dbraw/zinc/53/05/25/986530525.db2.gz AMKKFFPLMRNXMR-JTQLQIEISA-N -1 1 309.391 0.775 20 0 DCADMM C[C@@H](C(=O)NCC(=O)[O-])N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC001589397335 986535432 /nfs/dbraw/zinc/53/54/32/986535432.db2.gz RMEOIRXRKWYEHG-QFYYESIMSA-N -1 1 317.345 0.172 20 0 DCADMM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNCc1cn(CC(=O)[O-])nn1)O2 ZINC001594638661 986776390 /nfs/dbraw/zinc/77/63/90/986776390.db2.gz DBCNONNGUCCGIW-REJLFOLJSA-N -1 1 324.381 0.425 20 0 DCADMM COCCC1(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])CC1 ZINC001386233254 986982635 /nfs/dbraw/zinc/98/26/35/986982635.db2.gz BVFUBNFVZVALCU-NSHDSACASA-N -1 1 321.377 0.838 20 0 DCADMM CCS(=O)(=O)N1CCN(C[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001597220628 987152473 /nfs/dbraw/zinc/15/24/73/987152473.db2.gz BGQUWSRWTSIXKU-CHWSQXEVSA-N -1 1 318.439 0.845 20 0 DCADMM CN(CCNC(=O)C1=COCCC1)C(=O)c1ncccc1[O-] ZINC001386821071 987427439 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O=C(CNC(=O)c1ncccc1[O-])Nc1ccnn1C1CC1 ZINC001457060741 1011572380 /nfs/dbraw/zinc/57/23/80/1011572380.db2.gz YOLLFMROAOFNQS-UHFFFAOYSA-N -1 1 301.306 0.687 20 0 DCADMM CSc1ncc(C(=O)N2CC[C@H](c3n[nH]cc3N)C2)c(=O)[n-]1 ZINC001457146134 1011598297 /nfs/dbraw/zinc/59/82/97/1011598297.db2.gz KSAHKPBMIOUAAI-ZETCQYMHSA-N -1 1 320.378 0.839 20 0 DCADMM COC[C@@H](C)CC(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001457325427 1011671509 /nfs/dbraw/zinc/67/15/09/1011671509.db2.gz IQBXNBTXJZMYAK-RYUDHWBXSA-N -1 1 323.393 0.942 20 0 DCADMM CCC[C@H](NC(=O)[C@H]1COc2ccc(O)cc2O1)c1nn[n-]n1 ZINC001445346970 1011675992 /nfs/dbraw/zinc/67/59/92/1011675992.db2.gz RCDGPLDVKSOPFO-JOYOIKCWSA-N -1 1 319.321 0.703 20 0 DCADMM O=C(CCCF)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2 ZINC001423919887 1011734149 /nfs/dbraw/zinc/73/41/49/1011734149.db2.gz ISBURQALFRJSPL-AXFHLTTASA-N -1 1 311.361 0.729 20 0 DCADMM COC(=O)[C@H](C)[C@@H](NC(=O)CCc1nn[n-]n1)c1ccccc1 ZINC001445430027 1011762846 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C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1cc[nH]n1 ZINC001424104476 1012005311 /nfs/dbraw/zinc/00/53/11/1012005311.db2.gz MKABSCPBFHYAEN-SECBINFHSA-N -1 1 303.322 0.401 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1ccn[nH]1 ZINC001424104476 1012005325 /nfs/dbraw/zinc/00/53/25/1012005325.db2.gz MKABSCPBFHYAEN-SECBINFHSA-N -1 1 303.322 0.401 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(OC)C2CC2)[n-]n1 ZINC001424111277 1012016984 /nfs/dbraw/zinc/01/69/84/1012016984.db2.gz CZWPPMJZDBRTOQ-GFCCVEGCSA-N -1 1 317.367 0.290 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(OC)C2CC2)n[n-]1 ZINC001424111277 1012017004 /nfs/dbraw/zinc/01/70/04/1012017004.db2.gz CZWPPMJZDBRTOQ-GFCCVEGCSA-N -1 1 317.367 0.290 20 0 DCADMM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1csnc1OC)C(C)C ZINC001424118428 1012032070 /nfs/dbraw/zinc/03/20/70/1012032070.db2.gz WONJTBANNYRVCU-VIFPVBQESA-N -1 1 321.424 0.591 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)Cc1ccccc1F ZINC001445643450 1012044455 /nfs/dbraw/zinc/04/44/55/1012044455.db2.gz 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303.326 0.436 20 0 DCADMM CCOC(=O)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825499364 607987737 /nfs/dbraw/zinc/98/77/37/607987737.db2.gz LJDJMSXFNUPZBY-UHFFFAOYSA-N -1 1 303.326 0.436 20 0 DCADMM CNC(=O)c1ccc(CN(C)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826068297 607988366 /nfs/dbraw/zinc/98/83/66/607988366.db2.gz QPARUCPRDQGZEW-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CNC(=O)c1ccc(CN(C)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826068297 607988367 /nfs/dbraw/zinc/98/83/67/607988367.db2.gz QPARUCPRDQGZEW-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM COc1cccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1F ZINC000826214232 608077983 /nfs/dbraw/zinc/07/79/83/608077983.db2.gz FJNWMJWSPUGDFW-UHFFFAOYSA-N -1 1 303.257 0.482 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C/C(Cl)=C\Cl)c1=O ZINC000826356245 608096585 /nfs/dbraw/zinc/09/65/85/608096585.db2.gz IBJPYKABUXYJFA-GORDUTHDSA-N -1 1 303.109 0.046 20 0 DCADMM O=CN1CCc2cc(C(=O)Cn3ccnc3-c3nnn[n-]3)ccc21 ZINC000826484286 608149534 /nfs/dbraw/zinc/14/95/34/608149534.db2.gz WSFZQDDEJKHSQI-UHFFFAOYSA-N -1 1 323.316 0.465 20 0 DCADMM O=CN1CCc2cc(C(=O)Cn3ccnc3-c3nn[n-]n3)ccc21 ZINC000826484286 608149535 /nfs/dbraw/zinc/14/95/35/608149535.db2.gz WSFZQDDEJKHSQI-UHFFFAOYSA-N -1 1 323.316 0.465 20 0 DCADMM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825006692 608186495 /nfs/dbraw/zinc/18/64/95/608186495.db2.gz OCQZWHOFIZKDJO-HTQZYQBOSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825006692 608186497 /nfs/dbraw/zinc/18/64/97/608186497.db2.gz OCQZWHOFIZKDJO-HTQZYQBOSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1CO[C@H](CO)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825006673 608190093 /nfs/dbraw/zinc/19/00/93/608190093.db2.gz NVHMAELQEJRHSB-WDSKDSINSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@H]1CO[C@H](CO)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825006673 608190094 /nfs/dbraw/zinc/19/00/94/608190094.db2.gz NVHMAELQEJRHSB-WDSKDSINSA-N -1 1 316.774 0.563 20 0 DCADMM CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825247488 608250379 /nfs/dbraw/zinc/25/03/79/608250379.db2.gz FHKXWMXRNXHRLP-QMMMGPOBSA-N -1 1 320.378 0.669 20 0 DCADMM CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825247488 608250381 /nfs/dbraw/zinc/25/03/81/608250381.db2.gz FHKXWMXRNXHRLP-QMMMGPOBSA-N -1 1 320.378 0.669 20 0 DCADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)cnn1CC(C)C ZINC000826235139 608385300 /nfs/dbraw/zinc/38/53/00/608385300.db2.gz CMUKCCPFGKTDDZ-UHFFFAOYSA-N -1 1 315.341 0.495 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1NC1CCC2(CC1)OCCO2 ZINC000826514041 608400434 /nfs/dbraw/zinc/40/04/34/608400434.db2.gz FKMCTSMOPAGBNR-UHFFFAOYSA-N -1 1 303.326 0.754 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1NC1CCC2(CC1)OCCO2 ZINC000826514041 608400435 /nfs/dbraw/zinc/40/04/35/608400435.db2.gz FKMCTSMOPAGBNR-UHFFFAOYSA-N -1 1 303.326 0.754 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N1CCCC1 ZINC000825929816 608408384 /nfs/dbraw/zinc/40/83/84/608408384.db2.gz KFURVAMJZABOKV-UHFFFAOYSA-N -1 1 319.373 0.252 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N1CCCC1 ZINC000825929816 608408386 /nfs/dbraw/zinc/40/83/86/608408386.db2.gz KFURVAMJZABOKV-UHFFFAOYSA-N -1 1 319.373 0.252 20 0 DCADMM c1cc(N2CCC[C@H](C3OCCO3)C2)nnc1-c1nnn[n-]1 ZINC000826517134 608411250 /nfs/dbraw/zinc/41/12/50/608411250.db2.gz RTEOBMFNJIWZES-VIFPVBQESA-N -1 1 303.326 0.246 20 0 DCADMM c1cc(N2CCC[C@H](C3OCCO3)C2)nnc1-c1nn[n-]n1 ZINC000826517134 608411253 /nfs/dbraw/zinc/41/12/53/608411253.db2.gz RTEOBMFNJIWZES-VIFPVBQESA-N -1 1 303.326 0.246 20 0 DCADMM CC(C)(C)OC(=O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824099831 608428355 /nfs/dbraw/zinc/42/83/55/608428355.db2.gz JLWYQGNWSTYDML-VIFPVBQESA-N -1 1 317.353 0.825 20 0 DCADMM CC(C)(C)OC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824099831 608428357 /nfs/dbraw/zinc/42/83/57/608428357.db2.gz JLWYQGNWSTYDML-VIFPVBQESA-N -1 1 317.353 0.825 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1N[C@H]1CCOC2(CCOCC2)C1 ZINC000826514549 608435249 /nfs/dbraw/zinc/43/52/49/608435249.db2.gz VQRFCSHXNINXLZ-JTQLQIEISA-N -1 1 317.353 0.797 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1N[C@H]1CCOC2(CCOCC2)C1 ZINC000826514549 608435250 /nfs/dbraw/zinc/43/52/50/608435250.db2.gz VQRFCSHXNINXLZ-JTQLQIEISA-N -1 1 317.353 0.797 20 0 DCADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825210431 608436728 /nfs/dbraw/zinc/43/67/28/608436728.db2.gz HCQDSMXDCQIWNC-GHMZBOCLSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825210431 608436730 /nfs/dbraw/zinc/43/67/30/608436730.db2.gz HCQDSMXDCQIWNC-GHMZBOCLSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCN1CC(F)F ZINC000825213093 608439980 /nfs/dbraw/zinc/43/99/80/608439980.db2.gz VKYJMMONYIIRHU-VIFPVBQESA-N -1 1 324.339 0.822 20 0 DCADMM CC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCN1CC(F)F ZINC000825213093 608439981 /nfs/dbraw/zinc/43/99/81/608439981.db2.gz VKYJMMONYIIRHU-VIFPVBQESA-N -1 1 324.339 0.822 20 0 DCADMM CCOC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000825522191 608495414 /nfs/dbraw/zinc/49/54/14/608495414.db2.gz CGKGXGASLNIBFW-UHFFFAOYSA-N -1 1 306.326 0.734 20 0 DCADMM CCOC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000825522191 608495416 /nfs/dbraw/zinc/49/54/16/608495416.db2.gz CGKGXGASLNIBFW-UHFFFAOYSA-N -1 1 306.326 0.734 20 0 DCADMM CC1(C)OCC(C)(C(=O)n2ncc(-c3nn[n-]n3)c2N)CO1 ZINC000824812572 608567971 /nfs/dbraw/zinc/56/79/71/608567971.db2.gz NKKBHWDLDLCYSF-UHFFFAOYSA-N -1 1 307.314 0.075 20 0 DCADMM c1cc(-c2nnn[n-]2)oc1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000826515240 608837702 /nfs/dbraw/zinc/83/77/02/608837702.db2.gz ROAUXXCJAIFDFN-DGCLKSJQSA-N -1 1 305.338 0.840 20 0 DCADMM c1cc(-c2nn[n-]n2)oc1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000826515240 608837703 /nfs/dbraw/zinc/83/77/03/608837703.db2.gz ROAUXXCJAIFDFN-DGCLKSJQSA-N -1 1 305.338 0.840 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H]1F ZINC000824949608 609381585 /nfs/dbraw/zinc/38/15/85/609381585.db2.gz YGIUTJIFUJQMQC-IONNQARKSA-N -1 1 308.321 0.812 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H]1F ZINC000824949608 609381584 /nfs/dbraw/zinc/38/15/84/609381584.db2.gz YGIUTJIFUJQMQC-IONNQARKSA-N -1 1 308.321 0.812 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1(C(N)=O)CCCC1 ZINC000825826136 609390896 /nfs/dbraw/zinc/39/08/96/609390896.db2.gz YKAAHJLNCYBPRL-UHFFFAOYSA-N -1 1 315.337 0.132 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1(C(N)=O)CCCC1 ZINC000825826136 609390898 /nfs/dbraw/zinc/39/08/98/609390898.db2.gz YKAAHJLNCYBPRL-UHFFFAOYSA-N -1 1 315.337 0.132 20 0 DCADMM CN(C)C(=O)Cn1ccc(Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC000825845114 609550076 /nfs/dbraw/zinc/55/00/76/609550076.db2.gz CMQSGZDRVBXROW-UHFFFAOYSA-N -1 1 313.325 0.290 20 0 DCADMM CN(C)C(=O)Cn1ccc(Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC000825845114 609550078 /nfs/dbraw/zinc/55/00/78/609550078.db2.gz CMQSGZDRVBXROW-UHFFFAOYSA-N -1 1 313.325 0.290 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCOC1 ZINC000824515484 609599571 /nfs/dbraw/zinc/59/95/71/609599571.db2.gz SLAXRNCNSQNYPH-KOLCDFICSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCOC1 ZINC000824515484 609599573 /nfs/dbraw/zinc/59/95/73/609599573.db2.gz SLAXRNCNSQNYPH-KOLCDFICSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1OCC[C@]1(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825012621 609611970 /nfs/dbraw/zinc/61/19/70/609611970.db2.gz KNGZMDXARCOENU-PELKAZGASA-N -1 1 324.366 0.108 20 0 DCADMM C[C@H]1OCC[C@]1(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825012621 609611973 /nfs/dbraw/zinc/61/19/73/609611973.db2.gz KNGZMDXARCOENU-PELKAZGASA-N -1 1 324.366 0.108 20 0 DCADMM CN(C)C(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccns2)O1 ZINC000885088043 667644074 /nfs/dbraw/zinc/64/40/74/667644074.db2.gz QAUHOAGRTSQNEG-RKDXNWHRSA-N -1 1 319.408 0.057 20 0 DCADMM CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)NCc2n[nH]c(=O)[n-]2)C1 ZINC000979166666 660674837 /nfs/dbraw/zinc/67/48/37/660674837.db2.gz NAVKIEGFJFYTCC-GHMZBOCLSA-N -1 1 311.386 0.262 20 0 DCADMM O=C(Cc1ccccc1F)NN/C=C1/C(=O)[N-]C(=S)NC1=O ZINC000066932549 660688724 /nfs/dbraw/zinc/68/87/24/660688724.db2.gz YHKQIZUXCJIIMK-UHFFFAOYSA-N -1 1 322.321 0.244 20 0 DCADMM O=C(Cc1ccccc1F)NN/C=C1\C(=O)[N-]C(=S)NC1=O ZINC000066932549 660688727 /nfs/dbraw/zinc/68/87/27/660688727.db2.gz YHKQIZUXCJIIMK-UHFFFAOYSA-N -1 1 322.321 0.244 20 0 DCADMM O=C(Cc1ccccc1F)NNC=C1C(=O)[N-]C(=S)NC1=O ZINC000066932549 660688729 /nfs/dbraw/zinc/68/87/29/660688729.db2.gz YHKQIZUXCJIIMK-UHFFFAOYSA-N -1 1 322.321 0.244 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@H]2CC=CCC2)nc1=O ZINC001027749192 660690295 /nfs/dbraw/zinc/69/02/95/660690295.db2.gz SHWZFUAZIRFISP-STQMWFEESA-N -1 1 319.409 0.545 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)CCC2CC2)CCO1 ZINC000979268529 660699065 /nfs/dbraw/zinc/69/90/65/660699065.db2.gz YOSRXCAEEUULOI-ZYHUDNBSSA-N -1 1 323.397 0.406 20 0 DCADMM O=C(NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)c1cocn1 ZINC000979588232 660783219 /nfs/dbraw/zinc/78/32/19/660783219.db2.gz YKFXNYMHFZDTNS-MGCOHNPYSA-N -1 1 316.317 0.714 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@H]2CC2(C)C)nc1=O ZINC001027831549 660807272 /nfs/dbraw/zinc/80/72/72/660807272.db2.gz RGRBYPDGBBNXPW-WDEREUQCSA-N -1 1 307.398 0.235 20 0 DCADMM Cc1nonc1CN1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001027843537 660826683 /nfs/dbraw/zinc/82/66/83/660826683.db2.gz BYPKUYMSQJSVNT-NSHDSACASA-N -1 1 317.349 0.873 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)C[C@@H]3C=CCC3)CC2)nc1=O ZINC000980680617 660981853 /nfs/dbraw/zinc/98/18/53/660981853.db2.gz CAWISCRMUJXEMZ-CYBMUJFWSA-N -1 1 319.409 0.499 20 0 DCADMM CO[C@H](C)C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000936807414 661331249 /nfs/dbraw/zinc/33/12/49/661331249.db2.gz SFNQDSCSCKPQIE-MNOVXSKESA-N -1 1 307.350 0.495 20 0 DCADMM CC(C)=CCN1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000981555135 661171723 /nfs/dbraw/zinc/17/17/23/661171723.db2.gz DCIXWGGIUOJEJF-UHFFFAOYSA-N -1 1 307.354 0.397 20 0 DCADMM O=C1C[C@H]([N-]S(=O)(=O)c2ccns2)CN1CC1CC1 ZINC000885357362 667670535 /nfs/dbraw/zinc/67/05/35/667670535.db2.gz NCZHEEMSGALELZ-VIFPVBQESA-N -1 1 301.393 0.432 20 0 DCADMM Cc1cc(S(=O)(=O)[N-][C@@H](CO)C[C@H]2CCCO2)sn1 ZINC000885526036 667682465 /nfs/dbraw/zinc/68/24/65/667682465.db2.gz YCZWFYXGCDBUIS-NXEZZACHSA-N -1 1 306.409 0.660 20 0 DCADMM C[C@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000998396205 665448618 /nfs/dbraw/zinc/44/86/18/665448618.db2.gz ILJRFOXJYDTBSS-MWLCHTKSSA-N -1 1 305.334 0.153 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-]CC2CC3(C2)OCCO3)c1Cl ZINC000921662919 665461928 /nfs/dbraw/zinc/46/19/28/665461928.db2.gz PZHHSCBMQAQZDW-UHFFFAOYSA-N -1 1 321.786 0.505 20 0 DCADMM O=C(NC1CN(C(=O)c2ncccc2[O-])C1)[C@@H]1CC[C@@H](F)C1 ZINC000998517185 665471599 /nfs/dbraw/zinc/47/15/99/665471599.db2.gz JZQAYUQFTDMFJO-NXEZZACHSA-N -1 1 307.325 0.866 20 0 DCADMM C[C@@H](NC(=O)C1CC2(CC2)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000970398844 657475654 /nfs/dbraw/zinc/47/56/54/657475654.db2.gz MLLKYFBPCYWVOY-SNVBAGLBSA-N -1 1 319.409 0.235 20 0 DCADMM Nc1nc([O-])c(CC(=O)NNc2c(F)cccc2F)s1 ZINC000156602547 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Cn1cc(CN2CCC(NC(=O)c3ncccc3[O-])CC2)nn1 ZINC001002664503 666203862 /nfs/dbraw/zinc/20/38/62/666203862.db2.gz NMIVUDQEGVKTQV-UHFFFAOYSA-N -1 1 316.365 0.310 20 0 DCADMM Cn1cc(S(=O)(=O)NCCc2c(F)cc([O-])cc2F)cn1 ZINC000921966613 666206341 /nfs/dbraw/zinc/20/63/41/666206341.db2.gz LRKRCBGWZQUTFW-UHFFFAOYSA-N -1 1 317.317 0.925 20 0 DCADMM Cc1cc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)cs1 ZINC001032052976 666226695 /nfs/dbraw/zinc/22/66/95/666226695.db2.gz JEYOGTLSBVSAQN-UHFFFAOYSA-N -1 1 321.406 0.340 20 0 DCADMM CC1(C)CN(C(=O)C2CCOCC2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000995328814 666255989 /nfs/dbraw/zinc/25/59/89/666255989.db2.gz JBRMOOWNEDCULT-LLVKDONJSA-N -1 1 323.397 0.264 20 0 DCADMM CN1CCCC[C@H]1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003161104 666280215 /nfs/dbraw/zinc/28/02/15/666280215.db2.gz TUXNGEALPYFBIK-LBPRGKRZSA-N -1 1 322.413 0.075 20 0 DCADMM CCC(=O)N1CCC[C@@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000943795539 666324651 /nfs/dbraw/zinc/32/46/51/666324651.db2.gz 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1163584029 /nfs/dbraw/zinc/58/40/29/1163584029.db2.gz MTVCJAXJOOJTRV-GXSJLCMTSA-N -1 1 318.333 0.811 20 0 DCADMM COC(=O)c1cccc2nc(NC(=O)[C@H](O)CC(=O)[O-])[nH]c21 ZINC001573941112 1163593587 /nfs/dbraw/zinc/59/35/87/1163593587.db2.gz CSOSZDADYXKFOS-MRVPVSSYSA-N -1 1 307.262 0.124 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573951144 1163600993 /nfs/dbraw/zinc/60/09/93/1163600993.db2.gz LOHXCBBNDYPYED-SNVBAGLBSA-N -1 1 316.369 0.350 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573951144 1163601031 /nfs/dbraw/zinc/60/10/31/1163601031.db2.gz LOHXCBBNDYPYED-SNVBAGLBSA-N -1 1 316.369 0.350 20 0 DCADMM CC(C)[C@H](C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574003818 1163621387 /nfs/dbraw/zinc/62/13/87/1163621387.db2.gz KMHRCPIFPGXGTC-JTQLQIEISA-N -1 1 318.385 0.501 20 0 DCADMM CC(C)[C@H](C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574003818 1163621392 /nfs/dbraw/zinc/62/13/92/1163621392.db2.gz KMHRCPIFPGXGTC-JTQLQIEISA-N -1 1 318.385 0.501 20 0 DCADMM CC(C)[C@@H](C)C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574004136 1163622058 /nfs/dbraw/zinc/62/20/58/1163622058.db2.gz NZODVEGPHFUFBL-NXEZZACHSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@@H](C)C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574004136 1163622061 /nfs/dbraw/zinc/62/20/61/1163622061.db2.gz NZODVEGPHFUFBL-NXEZZACHSA-N -1 1 318.385 0.865 20 0 DCADMM Cc1[nH]nc(CN2CCC(O)(c3nccn3C)CC2)c1C(=O)[O-] ZINC001574112543 1163639892 /nfs/dbraw/zinc/63/98/92/1163639892.db2.gz GWAZBRAEBSHEHL-UHFFFAOYSA-N -1 1 319.365 0.633 20 0 DCADMM Cc1nc([C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)sc1C(=O)[O-] ZINC001574187653 1163655541 /nfs/dbraw/zinc/65/55/41/1163655541.db2.gz KMXFCULASOVZRA-QMMMGPOBSA-N -1 1 321.362 0.826 20 0 DCADMM CC(C)CN1C[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1=O ZINC001574204158 1163662116 /nfs/dbraw/zinc/66/21/16/1163662116.db2.gz HOZWTZGHWZOOEV-QMMMGPOBSA-N -1 1 318.341 0.033 20 0 DCADMM CC(C)CN1C[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1=O ZINC001574204158 1163662121 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C[C@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574618667 1163735740 /nfs/dbraw/zinc/73/57/40/1163735740.db2.gz ICPVRCFVIXWLCS-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574618667 1163735746 /nfs/dbraw/zinc/73/57/46/1163735746.db2.gz ICPVRCFVIXWLCS-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(C)CC1 ZINC001574674961 1163740838 /nfs/dbraw/zinc/74/08/38/1163740838.db2.gz RNWRCKUMJZDHLN-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(C)CC1 ZINC001574674961 1163740845 /nfs/dbraw/zinc/74/08/45/1163740845.db2.gz RNWRCKUMJZDHLN-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CCC1 ZINC001574792511 1163753564 /nfs/dbraw/zinc/75/35/64/1163753564.db2.gz SHMZBHNBTULCRZ-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CCC1 ZINC001574792511 1163753573 /nfs/dbraw/zinc/75/35/73/1163753573.db2.gz SHMZBHNBTULCRZ-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574809887 1163757408 /nfs/dbraw/zinc/75/74/08/1163757408.db2.gz QYDFUNPRWYERIK-SECBINFHSA-N -1 1 304.358 0.254 20 0 DCADMM CC(C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574809887 1163757417 /nfs/dbraw/zinc/75/74/17/1163757417.db2.gz QYDFUNPRWYERIK-SECBINFHSA-N -1 1 304.358 0.254 20 0 DCADMM C[C@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)CCCF ZINC001574809240 1163758020 /nfs/dbraw/zinc/75/80/20/1163758020.db2.gz MSSZTTFRRMCLEI-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)CCCF ZINC001574809240 1163758022 /nfs/dbraw/zinc/75/80/22/1163758022.db2.gz MSSZTTFRRMCLEI-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574829534 1163762860 /nfs/dbraw/zinc/76/28/60/1163762860.db2.gz DKXQHHQNELAIFP-SECBINFHSA-N -1 1 318.385 0.867 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574829534 1163762865 /nfs/dbraw/zinc/76/28/65/1163762865.db2.gz DKXQHHQNELAIFP-SECBINFHSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H]1C[C@H](C(=O)NCCNC(=O)c2ncccc2[O-])CCO1 ZINC001575058167 1163871654 /nfs/dbraw/zinc/87/16/54/1163871654.db2.gz JOPUDKWDVQWBFL-VXGBXAGGSA-N -1 1 321.377 0.838 20 0 DCADMM C[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1csnn1 ZINC001575303575 1163968681 /nfs/dbraw/zinc/96/86/81/1163968681.db2.gz NUAAKANWHFHSPH-LURJTMIESA-N -1 1 317.338 0.996 20 0 DCADMM C[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1csnn1 ZINC001575303575 1163968686 /nfs/dbraw/zinc/96/86/86/1163968686.db2.gz NUAAKANWHFHSPH-LURJTMIESA-N -1 1 317.338 0.996 20 0 DCADMM C[C@@](O)(CNC(=O)NCc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001575468562 1164023165 /nfs/dbraw/zinc/02/31/65/1164023165.db2.gz CQQKLNIRPVDFKN-CYBMUJFWSA-N -1 1 322.394 0.888 20 0 DCADMM C[C@]1(NC(=O)C2CC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575802167 1164158159 /nfs/dbraw/zinc/15/81/59/1164158159.db2.gz BORQUBLUYDUCLO-AWEZNQCLSA-N -1 1 314.353 0.152 20 0 DCADMM C[C@]1(NC(=O)C2CC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575802167 1164158164 /nfs/dbraw/zinc/15/81/64/1164158164.db2.gz BORQUBLUYDUCLO-AWEZNQCLSA-N -1 1 314.353 0.152 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576085408 1164236729 /nfs/dbraw/zinc/23/67/29/1164236729.db2.gz NDAOLSUELIVOOU-DOLQZWNJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576085408 1164236736 /nfs/dbraw/zinc/23/67/36/1164236736.db2.gz NDAOLSUELIVOOU-DOLQZWNJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001576084052 1164237559 /nfs/dbraw/zinc/23/75/59/1164237559.db2.gz HVWUEFIUWRURNO-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001576084052 1164237564 /nfs/dbraw/zinc/23/75/64/1164237564.db2.gz HVWUEFIUWRURNO-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001576098939 1164240261 /nfs/dbraw/zinc/24/02/61/1164240261.db2.gz DNJXRSHTJKWRGC-HTQZYQBOSA-N -1 1 320.378 0.654 20 0 DCADMM COCCCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001576133392 1164247018 /nfs/dbraw/zinc/24/70/18/1164247018.db2.gz ZSPVVUFLZVKRFN-GFCCVEGCSA-N -1 1 321.377 0.935 20 0 DCADMM C[C@@H]1CN(C(=O)C2CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576233737 1164276129 /nfs/dbraw/zinc/27/61/29/1164276129.db2.gz QHFRFYZIRBGPHK-LDYMZIIASA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1CN(C(=O)C2CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576233737 1164276133 /nfs/dbraw/zinc/27/61/33/1164276133.db2.gz QHFRFYZIRBGPHK-LDYMZIIASA-N -1 1 314.353 0.326 20 0 DCADMM CCC(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576414721 1164334924 /nfs/dbraw/zinc/33/49/24/1164334924.db2.gz DJSROCOKXRRORE-CQSZACIVSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576414721 1164334933 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DCADMM CCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001576425172 1164340478 /nfs/dbraw/zinc/34/04/78/1164340478.db2.gz FWOMXYSOZVDGHA-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001576445217 1164346728 /nfs/dbraw/zinc/34/67/28/1164346728.db2.gz PZHWVVSZSVPNAD-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001576445217 1164346734 /nfs/dbraw/zinc/34/67/34/1164346734.db2.gz PZHWVVSZSVPNAD-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001576445550 1164347295 /nfs/dbraw/zinc/34/72/95/1164347295.db2.gz SLLMGOAYTWEZFR-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001576445550 1164347300 /nfs/dbraw/zinc/34/73/00/1164347300.db2.gz SLLMGOAYTWEZFR-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576444483 1164348172 /nfs/dbraw/zinc/34/81/72/1164348172.db2.gz IOLIRFRCEXHBES-UWVGGRQHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576444483 1164348181 /nfs/dbraw/zinc/34/81/81/1164348181.db2.gz IOLIRFRCEXHBES-UWVGGRQHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576471617 1164355953 /nfs/dbraw/zinc/35/59/53/1164355953.db2.gz PQKBTIJVGUZPDJ-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576487131 1164363593 /nfs/dbraw/zinc/36/35/93/1164363593.db2.gz MRAIIJSKCNBHHZ-SECBINFHSA-N -1 1 302.342 0.009 20 0 DCADMM CC[C@H](C)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576572625 1164398740 /nfs/dbraw/zinc/39/87/40/1164398740.db2.gz OOGJJFYJXRWGBT-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576576573 1164400168 /nfs/dbraw/zinc/40/01/68/1164400168.db2.gz MGWMIWVWKMOECV-NXEZZACHSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576577343 1164401757 /nfs/dbraw/zinc/40/17/57/1164401757.db2.gz XBVWDDPVXCBPFS-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576608166 1164410709 /nfs/dbraw/zinc/41/07/09/1164410709.db2.gz ZOBHKGQCDBVCAC-LPEHRKFASA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576608166 1164410713 /nfs/dbraw/zinc/41/07/13/1164410713.db2.gz ZOBHKGQCDBVCAC-LPEHRKFASA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@H](C)CC[C@@H](O)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001576652484 1164424201 /nfs/dbraw/zinc/42/42/01/1164424201.db2.gz SMINOIAPJVBQOD-DTWKUNHWSA-N -1 1 307.358 0.863 20 0 DCADMM CC[C@H](CCO)NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001576766751 1164456881 /nfs/dbraw/zinc/45/68/81/1164456881.db2.gz HRCCXHFWWJZFKH-MRVPVSSYSA-N -1 1 321.341 0.553 20 0 DCADMM CC[C@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576847426 1164490370 /nfs/dbraw/zinc/49/03/70/1164490370.db2.gz DMRYGPLGTGGDBK-AEJSXWLSSA-N -1 1 316.369 0.041 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576937667 1164546058 /nfs/dbraw/zinc/54/60/58/1164546058.db2.gz WKZLMTWBUNUHAG-IUCAKERBSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576937667 1164546065 /nfs/dbraw/zinc/54/60/65/1164546065.db2.gz WKZLMTWBUNUHAG-IUCAKERBSA-N -1 1 320.332 0.418 20 0 DCADMM Cc1cc(C(=O)N(C)CCCNC(=O)c2[nH]nc(C)c2[O-])n[nH]1 ZINC001576959177 1164557742 /nfs/dbraw/zinc/55/77/42/1164557742.db2.gz RMCFACWKDWGDCS-UHFFFAOYSA-N -1 1 320.353 0.347 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576966204 1164561619 /nfs/dbraw/zinc/56/16/19/1164561619.db2.gz PTFKOHFEYVXZQE-DTWKUNHWSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576966541 1164562871 /nfs/dbraw/zinc/56/28/71/1164562871.db2.gz UXRQKTUFUMVHHC-BDAKNGLRSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576966541 1164562876 /nfs/dbraw/zinc/56/28/76/1164562876.db2.gz UXRQKTUFUMVHHC-BDAKNGLRSA-N -1 1 320.332 0.100 20 0 DCADMM CO[C@H](C(=O)N(C)CCCNC(=O)c1ncccc1[O-])C1CC1 ZINC001576973807 1164566442 /nfs/dbraw/zinc/56/64/42/1164566442.db2.gz CDCCEQOJPHDFDM-AWEZNQCLSA-N -1 1 321.377 0.791 20 0 DCADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1noc(C)n1 ZINC001576978678 1164568828 /nfs/dbraw/zinc/56/88/28/1164568828.db2.gz QPVZKAJZGYZFIQ-VIFPVBQESA-N -1 1 314.309 0.834 20 0 DCADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1noc(C)n1 ZINC001576978678 1164568832 /nfs/dbraw/zinc/56/88/32/1164568832.db2.gz QPVZKAJZGYZFIQ-VIFPVBQESA-N -1 1 314.309 0.834 20 0 DCADMM CC[C@H]1CN(C(C)=O)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577172535 1164620651 /nfs/dbraw/zinc/62/06/51/1164620651.db2.gz ATKWRSFRSRXUJV-WDEREUQCSA-N -1 1 316.369 0.138 20 0 DCADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001577174080 1164621839 /nfs/dbraw/zinc/62/18/39/1164621839.db2.gz WXBBOQQNNMKMNK-GHMZBOCLSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H]1CN(C(C)=O)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001577174080 1164621841 /nfs/dbraw/zinc/62/18/41/1164621841.db2.gz WXBBOQQNNMKMNK-GHMZBOCLSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001577194723 1164629727 /nfs/dbraw/zinc/62/97/27/1164629727.db2.gz NSMLDXMJYGOZHB-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001577194723 1164629729 /nfs/dbraw/zinc/62/97/29/1164629729.db2.gz NSMLDXMJYGOZHB-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001577203339 1164633141 /nfs/dbraw/zinc/63/31/41/1164633141.db2.gz WECGKSDLXKXRBH-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001577203339 1164633143 /nfs/dbraw/zinc/63/31/43/1164633143.db2.gz WECGKSDLXKXRBH-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001577218828 1164640545 /nfs/dbraw/zinc/64/05/45/1164640545.db2.gz JURXGZMDWPNVKE-MGCOHNPYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001577218828 1164640552 /nfs/dbraw/zinc/64/05/52/1164640552.db2.gz JURXGZMDWPNVKE-MGCOHNPYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577417959 1164688239 /nfs/dbraw/zinc/68/82/39/1164688239.db2.gz YCOUNGKYUNIVDE-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577417959 1164688243 /nfs/dbraw/zinc/68/82/43/1164688243.db2.gz YCOUNGKYUNIVDE-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577424635 1164689399 /nfs/dbraw/zinc/68/93/99/1164689399.db2.gz FSEHGFAKIXTTHQ-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577424635 1164689405 /nfs/dbraw/zinc/68/94/05/1164689405.db2.gz FSEHGFAKIXTTHQ-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCNC(=O)c1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001578238204 1164958421 /nfs/dbraw/zinc/95/84/21/1164958421.db2.gz ILPDYARMBFBIAI-UHFFFAOYSA-N -1 1 324.348 0.440 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001578428872 1165012869 /nfs/dbraw/zinc/01/28/69/1165012869.db2.gz STZSXKPMUZVKBE-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001578428872 1165012876 /nfs/dbraw/zinc/01/28/76/1165012876.db2.gz STZSXKPMUZVKBE-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001578435559 1165015787 /nfs/dbraw/zinc/01/57/87/1165015787.db2.gz ISBYYONSNYGJLW-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CC[C@@H]1[C@@H](NC(C)=O)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001578471535 1165027901 /nfs/dbraw/zinc/02/79/01/1165027901.db2.gz OHJKQLTXYDMLEN-GXSJLCMTSA-N -1 1 302.342 0.150 20 0 DCADMM CC[C@@H]1[C@@H](NC(C)=O)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001578471535 1165027906 /nfs/dbraw/zinc/02/79/06/1165027906.db2.gz OHJKQLTXYDMLEN-GXSJLCMTSA-N -1 1 302.342 0.150 20 0 DCADMM CCc1c[nH]c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001578494662 1165032950 /nfs/dbraw/zinc/03/29/50/1165032950.db2.gz IOQOFXAEMNBHJB-UHFFFAOYSA-N -1 1 323.338 0.224 20 0 DCADMM CCc1nc(N[C@@H]2CCCN(C(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001578672430 1165085267 /nfs/dbraw/zinc/08/52/67/1165085267.db2.gz XDEFCSFQLOFCQQ-SNVBAGLBSA-N -1 1 316.369 0.642 20 0 DCADMM CCc1nc(N[C@@H]2CCCN(C(C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001578672430 1165085272 /nfs/dbraw/zinc/08/52/72/1165085272.db2.gz XDEFCSFQLOFCQQ-SNVBAGLBSA-N -1 1 316.369 0.642 20 0 DCADMM CN(C(=O)NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCC[C@H]1O ZINC001578888690 1165151955 /nfs/dbraw/zinc/15/19/55/1165151955.db2.gz VOODWJWTQFUGJM-NXEZZACHSA-N -1 1 322.394 0.983 20 0 DCADMM CN(CCNC(=O)CC(C)(C)C)c1nccnc1-c1nnn[n-]1 ZINC001579174400 1165230260 /nfs/dbraw/zinc/23/02/60/1165230260.db2.gz VLLIHUYUCBBNBU-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CN(CCNC(=O)CC(C)(C)C)c1nccnc1-c1nn[n-]n1 ZINC001579174400 1165230269 /nfs/dbraw/zinc/23/02/69/1165230269.db2.gz VLLIHUYUCBBNBU-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CN(Cc1ccccc1)C(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001579258222 1165252225 /nfs/dbraw/zinc/25/22/25/1165252225.db2.gz VDFLBGQHWICATK-UHFFFAOYSA-N -1 1 324.344 0.687 20 0 DCADMM CNC(=O)Cn1nc(Nc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC001579398736 1165297881 /nfs/dbraw/zinc/29/78/81/1165297881.db2.gz UUIOVWHNLATPII-UHFFFAOYSA-N -1 1 313.325 0.256 20 0 DCADMM CNC(=O)Cn1nc(Nc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC001579398736 1165297888 /nfs/dbraw/zinc/29/78/88/1165297888.db2.gz UUIOVWHNLATPII-UHFFFAOYSA-N -1 1 313.325 0.256 20 0 DCADMM CNc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc(Cl)n1 ZINC001579430334 1165307356 /nfs/dbraw/zinc/30/73/56/1165307356.db2.gz NREDAHBKIDPERB-UHFFFAOYSA-N -1 1 319.716 0.932 20 0 DCADMM CNc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc(Cl)n1 ZINC001579430334 1165307365 /nfs/dbraw/zinc/30/73/65/1165307365.db2.gz NREDAHBKIDPERB-UHFFFAOYSA-N -1 1 319.716 0.932 20 0 DCADMM COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001579447111 1165311801 /nfs/dbraw/zinc/31/18/01/1165311801.db2.gz ZDZVFSHZOVKDAT-RGOKHQFPSA-N -1 1 315.337 0.078 20 0 DCADMM COC(=O)N1CCC(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001579453582 1165315764 /nfs/dbraw/zinc/31/57/64/1165315764.db2.gz VNOHTSBAAQREPE-UHFFFAOYSA-N -1 1 320.313 0.007 20 0 DCADMM COC(=O)N1CCC(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001579453582 1165315767 /nfs/dbraw/zinc/31/57/67/1165315767.db2.gz VNOHTSBAAQREPE-UHFFFAOYSA-N -1 1 320.313 0.007 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001579470261 1165320361 /nfs/dbraw/zinc/32/03/61/1165320361.db2.gz XVQQYRHCHCVARC-VXNVDRBHSA-N -1 1 305.294 0.341 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001579470261 1165320364 /nfs/dbraw/zinc/32/03/64/1165320364.db2.gz XVQQYRHCHCVARC-VXNVDRBHSA-N -1 1 305.294 0.341 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccns2)c1 ZINC001579477321 1165324613 /nfs/dbraw/zinc/32/46/13/1165324613.db2.gz LCQPNTMPZRMJLQ-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM COC(=O)c1cc(Cn2cncc(-c3nn[n-]n3)c2=O)cs1 ZINC001579479745 1165326792 /nfs/dbraw/zinc/32/67/92/1165326792.db2.gz QIXSLQMXPFSESP-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM COC(=O)c1ccc(NCc2cnn(C)c2)c(-c2nnn[n-]2)n1 ZINC001579485461 1165328586 /nfs/dbraw/zinc/32/85/86/1165328586.db2.gz YXIYZBFLGNRGLF-UHFFFAOYSA-N -1 1 314.309 0.394 20 0 DCADMM COC(=O)c1ccc(NCc2cnn(C)c2)c(-c2nn[n-]n2)n1 ZINC001579485461 1165328590 /nfs/dbraw/zinc/32/85/90/1165328590.db2.gz YXIYZBFLGNRGLF-UHFFFAOYSA-N -1 1 314.309 0.394 20 0 DCADMM COC(=O)c1coc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001579491203 1165331005 /nfs/dbraw/zinc/33/10/05/1165331005.db2.gz ACARMQTXIZKZPJ-UHFFFAOYSA-N -1 1 317.261 0.769 20 0 DCADMM COC(=O)c1coc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001579491203 1165331008 /nfs/dbraw/zinc/33/10/08/1165331008.db2.gz ACARMQTXIZKZPJ-UHFFFAOYSA-N -1 1 317.261 0.769 20 0 DCADMM CO[C@H](C)C[N@@H+](C)Cc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1 ZINC001579578589 1165350487 /nfs/dbraw/zinc/35/04/87/1165350487.db2.gz GCRBDGWSYYPJMV-MRVPVSSYSA-N -1 1 318.341 0.082 20 0 DCADMM CO[C@H](C)C[N@H+](C)Cc1cc(=O)n2[n-]cc(-c3nn[n-]n3)c2n1 ZINC001579578589 1165350490 /nfs/dbraw/zinc/35/04/90/1165350490.db2.gz GCRBDGWSYYPJMV-MRVPVSSYSA-N -1 1 318.341 0.082 20 0 DCADMM CO[C@H](C)C[N@@H+](C)Cc1cc(=O)n2[n-]cc(-c3nn[n-]n3)c2n1 ZINC001579578589 1165350496 /nfs/dbraw/zinc/35/04/96/1165350496.db2.gz GCRBDGWSYYPJMV-MRVPVSSYSA-N -1 1 318.341 0.082 20 0 DCADMM C[S@](=O)[C@@H]1CC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001580171883 1165525614 /nfs/dbraw/zinc/52/56/14/1165525614.db2.gz ANYDETLEQKTMNK-PIWWNVKXSA-N -1 1 320.378 0.291 20 0 DCADMM C[S@](=O)[C@@H]1CC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001580171883 1165525623 /nfs/dbraw/zinc/52/56/23/1165525623.db2.gz ANYDETLEQKTMNK-PIWWNVKXSA-N -1 1 320.378 0.291 20 0 DCADMM C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001580248508 1165547892 /nfs/dbraw/zinc/54/78/92/1165547892.db2.gz ICPVRCFVIXWLCS-GUBZILKMSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001580248508 1165547896 /nfs/dbraw/zinc/54/78/96/1165547896.db2.gz ICPVRCFVIXWLCS-GUBZILKMSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001580307136 1165565821 /nfs/dbraw/zinc/56/58/21/1165565821.db2.gz KGPYUTQOXIDYRT-MRVPVSSYSA-N -1 1 316.300 0.475 20 0 DCADMM C[C@@H]1C[C@H](C)CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001580315059 1165569105 /nfs/dbraw/zinc/56/91/05/1165569105.db2.gz CXYTVYKYGNDLRQ-RKDXNWHRSA-N -1 1 319.369 0.126 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CC=CC1 ZINC001580413727 1165596693 /nfs/dbraw/zinc/59/66/93/1165596693.db2.gz VWPDLDBUGCYZAM-SECBINFHSA-N -1 1 314.353 0.540 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC=CC1 ZINC001580413727 1165596702 /nfs/dbraw/zinc/59/67/02/1165596702.db2.gz VWPDLDBUGCYZAM-SECBINFHSA-N -1 1 314.353 0.540 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CC1(C)C ZINC001580418645 1165598067 /nfs/dbraw/zinc/59/80/67/1165598067.db2.gz MUPXNMLLHOQQAJ-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CC1(C)C ZINC001580418645 1165598076 /nfs/dbraw/zinc/59/80/76/1165598076.db2.gz MUPXNMLLHOQQAJ-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@]12CN(c3ccnc(-c4nnn[n-]4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001580460658 1165607603 /nfs/dbraw/zinc/60/76/03/1165607603.db2.gz GLRFVNVWLLWIKL-TVQRCGJNSA-N -1 1 320.378 0.133 20 0 DCADMM C[C@]12CN(c3ccnc(-c4nn[n-]n4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001580460658 1165607606 /nfs/dbraw/zinc/60/76/06/1165607606.db2.gz GLRFVNVWLLWIKL-TVQRCGJNSA-N -1 1 320.378 0.133 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC2(C1)CCOC2 ZINC001580597193 1165649827 /nfs/dbraw/zinc/64/98/27/1165649827.db2.gz DSLCIISVAJGFLD-UHFFFAOYSA-N -1 1 316.321 0.138 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CCSC1 ZINC001580601658 1165651775 /nfs/dbraw/zinc/65/17/75/1165651775.db2.gz COPVDBPMRRFDPD-ZETCQYMHSA-N -1 1 306.351 0.511 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H](C)C[C@@H](C)O ZINC001580604326 1165652885 /nfs/dbraw/zinc/65/28/85/1165652885.db2.gz QIADICLENQHEOF-VXNVDRBHSA-N -1 1 320.353 0.413 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2Cc3ccccc3NC(=O)C2)n1 ZINC001580649663 1165673528 /nfs/dbraw/zinc/67/35/28/1165673528.db2.gz NVSREJAAGMHDCO-UHFFFAOYSA-N -1 1 322.332 0.924 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2Cc3ccccc3NC(=O)C2)n1 ZINC001580649663 1165673534 /nfs/dbraw/zinc/67/35/34/1165673534.db2.gz NVSREJAAGMHDCO-UHFFFAOYSA-N -1 1 322.332 0.924 20 0 DCADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2nccn2c1 ZINC001580887437 1165751704 /nfs/dbraw/zinc/75/17/04/1165751704.db2.gz QJIQGJHWTIDJDW-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2nccn2c1 ZINC001580887437 1165751711 /nfs/dbraw/zinc/75/17/11/1165751711.db2.gz QJIQGJHWTIDJDW-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1cc(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)on1 ZINC001580925810 1165759358 /nfs/dbraw/zinc/75/93/58/1165759358.db2.gz RGIWWBGLRWERFE-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1cc(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)on1 ZINC001580925810 1165759362 /nfs/dbraw/zinc/75/93/62/1165759362.db2.gz RGIWWBGLRWERFE-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1cnc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)s1 ZINC001581321619 1165813632 /nfs/dbraw/zinc/81/36/32/1165813632.db2.gz MFKURRASYIYDIN-UHFFFAOYSA-N -1 1 320.338 0.043 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](c3cc(=O)[nH][nH]3)C2)n1 ZINC001581410975 1165823816 /nfs/dbraw/zinc/82/38/16/1165823816.db2.gz FVJGMKGTDQYTHJ-QMMMGPOBSA-N -1 1 313.325 0.388 20 0 DCADMM Cc1nn(Cc2cnc(Cl)cn2)c(=O)c(-c2nn[n-]n2)c1C ZINC001581603947 1165848536 /nfs/dbraw/zinc/84/85/36/1165848536.db2.gz PJNUOWAPZYPCMX-UHFFFAOYSA-N -1 1 318.728 0.532 20 0 DCADMM Cc1noc(C2(NC(=O)c3coc(-c4nnn[n-]4)c3)CC2)n1 ZINC001581633475 1165853729 /nfs/dbraw/zinc/85/37/29/1165853729.db2.gz XUJKUSYJVCRLTA-UHFFFAOYSA-N -1 1 301.266 0.570 20 0 DCADMM Cc1noc(C2(NC(=O)c3coc(-c4nn[n-]n4)c3)CC2)n1 ZINC001581633475 1165853733 /nfs/dbraw/zinc/85/37/33/1165853733.db2.gz XUJKUSYJVCRLTA-UHFFFAOYSA-N -1 1 301.266 0.570 20 0 DCADMM Cc1nonc1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001581655865 1165856278 /nfs/dbraw/zinc/85/62/78/1165856278.db2.gz PKLYLSQFECNCPU-UHFFFAOYSA-N -1 1 321.247 0.766 20 0 DCADMM Cc1nonc1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001581655865 1165856282 /nfs/dbraw/zinc/85/62/82/1165856282.db2.gz PKLYLSQFECNCPU-UHFFFAOYSA-N -1 1 321.247 0.766 20 0 DCADMM Cc1nsc(NC[C@@H](C)NC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001581718142 1165861584 /nfs/dbraw/zinc/86/15/84/1165861584.db2.gz BCEXZIWCBQLOSI-ZCFIWIBFSA-N -1 1 307.383 0.958 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@@H]2C[C@H]2C2CCC2)c(-c2nn[n-]n2)c1=O ZINC001581747231 1165865820 /nfs/dbraw/zinc/86/58/20/1165865820.db2.gz DPHBIUJZLCLTRL-IUCAKERBSA-N -1 1 317.353 0.514 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2nccc3occc32)n1 ZINC001581755094 1165871469 /nfs/dbraw/zinc/87/14/69/1165871469.db2.gz YOXHFOKYEQBGMI-UHFFFAOYSA-N -1 1 310.277 0.994 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2nccc3occc32)n1 ZINC001581755094 1165871477 /nfs/dbraw/zinc/87/14/77/1165871477.db2.gz YOXHFOKYEQBGMI-UHFFFAOYSA-N -1 1 310.277 0.994 20 0 DCADMM Cn1cc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)nn1 ZINC001581774686 1165873248 /nfs/dbraw/zinc/87/32/48/1165873248.db2.gz HNLQKPMAUNZJFB-UHFFFAOYSA-N -1 1 306.236 0.526 20 0 DCADMM Cn1cc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)nn1 ZINC001581774686 1165873259 /nfs/dbraw/zinc/87/32/59/1165873259.db2.gz HNLQKPMAUNZJFB-UHFFFAOYSA-N -1 1 306.236 0.526 20 0 DCADMM Cn1cc(Cl)c(C(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001581774136 1165873572 /nfs/dbraw/zinc/87/35/72/1165873572.db2.gz KCMAQDHPXFFREG-UHFFFAOYSA-N -1 1 324.757 0.640 20 0 DCADMM Cn1cc(Cl)c(C(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001581774136 1165873575 /nfs/dbraw/zinc/87/35/75/1165873575.db2.gz KCMAQDHPXFFREG-UHFFFAOYSA-N -1 1 324.757 0.640 20 0 DCADMM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001581776684 1165875050 /nfs/dbraw/zinc/87/50/50/1165875050.db2.gz RBWKQFYIGNCPAG-VHSXEESVSA-N -1 1 310.321 0.737 20 0 DCADMM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001581776684 1165875054 /nfs/dbraw/zinc/87/50/54/1165875054.db2.gz RBWKQFYIGNCPAG-VHSXEESVSA-N -1 1 310.321 0.737 20 0 DCADMM FC(F)Oc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001581851107 1165888149 /nfs/dbraw/zinc/88/81/49/1165888149.db2.gz JWIZSPMMNZNNKN-UHFFFAOYSA-N -1 1 320.263 0.687 20 0 DCADMM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001581888407 1165903433 /nfs/dbraw/zinc/90/34/33/1165903433.db2.gz IQFJLHRSTDYEMD-ZOFUNIGCSA-N -1 1 316.321 0.186 20 0 DCADMM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001581888407 1165903439 /nfs/dbraw/zinc/90/34/39/1165903439.db2.gz IQFJLHRSTDYEMD-ZOFUNIGCSA-N -1 1 316.321 0.186 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001581900630 1165906112 /nfs/dbraw/zinc/90/61/12/1165906112.db2.gz OMUIFOJIDAPARN-JGVFFNPUSA-N -1 1 316.325 0.037 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001581900630 1165906119 /nfs/dbraw/zinc/90/61/19/1165906119.db2.gz OMUIFOJIDAPARN-JGVFFNPUSA-N -1 1 316.325 0.037 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1cncc(F)c1 ZINC001581908825 1165909371 /nfs/dbraw/zinc/90/93/71/1165909371.db2.gz DDVXOPXGBUYBAT-UPHRSURJSA-N -1 1 300.257 0.533 20 0 DCADMM O=C(C1CCC1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001581934059 1165916376 /nfs/dbraw/zinc/91/63/76/1165916376.db2.gz RPIDATDIZRSJSN-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C1CCC1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001581934059 1165916382 /nfs/dbraw/zinc/91/63/82/1165916382.db2.gz RPIDATDIZRSJSN-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C1CCC1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001581931437 1165916954 /nfs/dbraw/zinc/91/69/54/1165916954.db2.gz LDFAOOUMHSJLBF-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CCC1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001581931437 1165916961 /nfs/dbraw/zinc/91/69/61/1165916961.db2.gz LDFAOOUMHSJLBF-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CCCF)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001582046502 1165943491 /nfs/dbraw/zinc/94/34/91/1165943491.db2.gz MWQMAOSLZJLPRP-DTORHVGOSA-N -1 1 320.332 0.466 20 0 DCADMM O=C(CCCF)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001582046502 1165943496 /nfs/dbraw/zinc/94/34/96/1165943496.db2.gz MWQMAOSLZJLPRP-DTORHVGOSA-N -1 1 320.332 0.466 20 0 DCADMM O=C(COc1ccc(F)cc1F)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582128886 1165963121 /nfs/dbraw/zinc/96/31/21/1165963121.db2.gz JEYHUMABYDPWIW-UHFFFAOYSA-N -1 1 321.247 0.886 20 0 DCADMM O=C(COc1ccc(F)cc1F)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582128886 1165963126 /nfs/dbraw/zinc/96/31/26/1165963126.db2.gz JEYHUMABYDPWIW-UHFFFAOYSA-N -1 1 321.247 0.886 20 0 DCADMM O=C(Cc1cnn2ccccc12)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582173862 1165976974 /nfs/dbraw/zinc/97/69/74/1165976974.db2.gz LJKVYYWTLVATPF-UHFFFAOYSA-N -1 1 309.293 0.419 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)c1cccc(OC(F)F)c1 ZINC001582189004 1165978067 /nfs/dbraw/zinc/97/80/67/1165978067.db2.gz WXQDTLKCMIWSDE-UHFFFAOYSA-N -1 1 321.247 0.943 20 0 DCADMM O=C(Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2)NCC1CC1 ZINC001582185881 1165978364 /nfs/dbraw/zinc/97/83/64/1165978364.db2.gz XEWUYCFWLZXWAW-UHFFFAOYSA-N -1 1 314.349 0.043 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)Nc1ccc(F)cc1F ZINC001582188011 1165978774 /nfs/dbraw/zinc/97/87/74/1165978774.db2.gz CRCVAIVDFLWALA-UHFFFAOYSA-N -1 1 306.236 0.375 20 0 DCADMM O=C(N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C1CC1 ZINC001582222896 1165987039 /nfs/dbraw/zinc/98/70/39/1165987039.db2.gz BRDIXEAHKLJHNX-NSHDSACASA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C1CC1 ZINC001582222896 1165987044 /nfs/dbraw/zinc/98/70/44/1165987044.db2.gz BRDIXEAHKLJHNX-NSHDSACASA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001582269724 1165993977 /nfs/dbraw/zinc/99/39/77/1165993977.db2.gz GMDRNNRWGYUBOE-IUCAKERBSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001582269724 1165993991 /nfs/dbraw/zinc/99/39/91/1165993991.db2.gz GMDRNNRWGYUBOE-IUCAKERBSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@H]1Cc2cncn2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582338152 1166002832 /nfs/dbraw/zinc/00/28/32/1166002832.db2.gz YCDZTEKZHJYYEZ-QMMMGPOBSA-N -1 1 313.296 0.557 20 0 DCADMM O=C(NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C(F)F ZINC001582334527 1166003868 /nfs/dbraw/zinc/00/38/68/1166003868.db2.gz LMXFCODUIPEEGD-UHFFFAOYSA-N -1 1 314.321 0.494 20 0 DCADMM O=C(NC[C@H](O)c1cncs1)c1csc(-c2nn[n-]n2)c1 ZINC001582381221 1166008570 /nfs/dbraw/zinc/00/85/70/1166008570.db2.gz IYKNJFQQZCMRNK-ZETCQYMHSA-N -1 1 322.375 0.848 20 0 DCADMM O=C(NCCCOc1ncccn1)c1ccc(-c2nnn[n-]2)o1 ZINC001582509141 1166029712 /nfs/dbraw/zinc/02/97/12/1166029712.db2.gz GYIQIOPCAFQTDJ-UHFFFAOYSA-N -1 1 315.293 0.449 20 0 DCADMM O=C(NCCCOc1ncccn1)c1ccc(-c2nn[n-]n2)o1 ZINC001582509141 1166029717 /nfs/dbraw/zinc/02/97/17/1166029717.db2.gz GYIQIOPCAFQTDJ-UHFFFAOYSA-N -1 1 315.293 0.449 20 0 DCADMM O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(-c2nnn[n-]2)o1 ZINC001582564138 1166047057 /nfs/dbraw/zinc/04/70/57/1166047057.db2.gz AAMDFSBNYOZGDD-MUWHJKNJSA-N -1 1 313.264 0.738 20 0 DCADMM O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(-c2nn[n-]n2)o1 ZINC001582564138 1166047061 /nfs/dbraw/zinc/04/70/61/1166047061.db2.gz AAMDFSBNYOZGDD-MUWHJKNJSA-N -1 1 313.264 0.738 20 0 DCADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001582608793 1166052110 /nfs/dbraw/zinc/05/21/10/1166052110.db2.gz QAHUNGIEDHONSJ-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001582608793 1166052114 /nfs/dbraw/zinc/05/21/14/1166052114.db2.gz QAHUNGIEDHONSJ-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(Nc1ncc2c(c1-c1nn[n-]n1)COCC2)c1ccncn1 ZINC001582652929 1166060897 /nfs/dbraw/zinc/06/08/97/1166060897.db2.gz DKYYXDYDUYXQMF-UHFFFAOYSA-N -1 1 324.304 0.377 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC001582650138 1166062420 /nfs/dbraw/zinc/06/24/20/1166062420.db2.gz MFQUOXWXCPANQE-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1 ZINC001582741897 1166072558 /nfs/dbraw/zinc/07/25/58/1166072558.db2.gz MBYVEHODRUBSHX-SSDOTTSWSA-N -1 1 315.293 0.518 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1 ZINC001582741897 1166072563 /nfs/dbraw/zinc/07/25/63/1166072563.db2.gz MBYVEHODRUBSHX-SSDOTTSWSA-N -1 1 315.293 0.518 20 0 DCADMM O=S(=O)(CCn1ccnc1-c1nnn[n-]1)Nc1ccccc1 ZINC001582791447 1166082522 /nfs/dbraw/zinc/08/25/22/1166082522.db2.gz CTBOLGHKGKJVHO-UHFFFAOYSA-N -1 1 319.350 0.505 20 0 DCADMM O=S(=O)(CCn1ccnc1-c1nn[n-]n1)Nc1ccccc1 ZINC001582791447 1166082526 /nfs/dbraw/zinc/08/25/26/1166082526.db2.gz CTBOLGHKGKJVHO-UHFFFAOYSA-N -1 1 319.350 0.505 20 0 DCADMM O=S(=O)(NCCc1ccoc1)c1cccnc1-c1nn[n-]n1 ZINC001582794905 1166083884 /nfs/dbraw/zinc/08/38/84/1166083884.db2.gz DMERYZIOFSIMCH-UHFFFAOYSA-N -1 1 320.334 0.376 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccc(Cl)cc1F ZINC001582806030 1166086937 /nfs/dbraw/zinc/08/69/37/1166086937.db2.gz CWAGQJRHDLXBBP-UHFFFAOYSA-N -1 1 322.687 0.970 20 0 DCADMM O[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C[C@@H]1O ZINC001582814656 1166094111 /nfs/dbraw/zinc/09/41/11/1166094111.db2.gz PHHAUZDPNRBLMH-FJPPDTINSA-N -1 1 313.321 0.106 20 0 DCADMM O[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C[C@@H]1O ZINC001582814656 1166094116 /nfs/dbraw/zinc/09/41/16/1166094116.db2.gz PHHAUZDPNRBLMH-FJPPDTINSA-N -1 1 313.321 0.106 20 0 DCADMM O=C(NC/C=C\CNC(=O)c1ncccc1[O-])c1cncs1 ZINC001583110445 1166205302 /nfs/dbraw/zinc/20/53/02/1166205302.db2.gz VSILOEPDZYHEJS-UPHRSURJSA-N -1 1 318.358 0.960 20 0 DCADMM COc1nc(C)ccc1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001584142723 1166311619 /nfs/dbraw/zinc/31/16/19/1166311619.db2.gz VGTJYFYKPRGWPI-UHFFFAOYSA-N -1 1 314.305 0.690 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnc3nccn3c2)o1 ZINC001585184219 1166409998 /nfs/dbraw/zinc/40/99/98/1166409998.db2.gz BLJVSTFDTYNETH-UHFFFAOYSA-N -1 1 321.318 0.483 20 0 DCADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@H]1CCCNC1=O ZINC001586308727 1166494064 /nfs/dbraw/zinc/49/40/64/1166494064.db2.gz MEGBIHZPSCZQLM-NSHDSACASA-N -1 1 316.321 0.243 20 0 DCADMM C=C/C(C)=C\CC(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001588511902 1166556529 /nfs/dbraw/zinc/55/65/29/1166556529.db2.gz CNDBXWMZYOXGEZ-WMZJFQQLSA-N -1 1 314.353 0.707 20 0 DCADMM C=C/C(C)=C\CC(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001588511902 1166556535 /nfs/dbraw/zinc/55/65/35/1166556535.db2.gz CNDBXWMZYOXGEZ-WMZJFQQLSA-N -1 1 314.353 0.707 20 0 DCADMM C=CC(=O)NCCNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588466694 1166556924 /nfs/dbraw/zinc/55/69/24/1166556924.db2.gz JFOBLLQOWQYNAG-UHFFFAOYSA-N -1 1 322.275 0.177 20 0 DCADMM C=CC(=O)NCCNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588466694 1166556928 /nfs/dbraw/zinc/55/69/28/1166556928.db2.gz JFOBLLQOWQYNAG-UHFFFAOYSA-N -1 1 322.275 0.177 20 0 DCADMM CC(=O)C1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)CC1 ZINC001588785780 1166589886 /nfs/dbraw/zinc/58/98/86/1166589886.db2.gz MAXSFKUBMPSFNG-UHFFFAOYSA-N -1 1 302.338 0.287 20 0 DCADMM CC(=O)N(C)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588796707 1166590710 /nfs/dbraw/zinc/59/07/10/1166590710.db2.gz AYJVKSZFRKAYJI-SNVBAGLBSA-N -1 1 302.342 0.022 20 0 DCADMM CC(=O)N(C)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588796707 1166590714 /nfs/dbraw/zinc/59/07/14/1166590714.db2.gz AYJVKSZFRKAYJI-SNVBAGLBSA-N -1 1 302.342 0.022 20 0 DCADMM CC(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588807096 1166591314 /nfs/dbraw/zinc/59/13/14/1166591314.db2.gz YHXLFLNRKLWSOE-WPRPVWTQSA-N -1 1 302.342 0.183 20 0 DCADMM CC(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588807096 1166591318 /nfs/dbraw/zinc/59/13/18/1166591318.db2.gz YHXLFLNRKLWSOE-WPRPVWTQSA-N -1 1 302.342 0.183 20 0 DCADMM CC(=O)NC1CCN(c2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001588840891 1166606285 /nfs/dbraw/zinc/60/62/85/1166606285.db2.gz CKLOXPYWALYFJD-UHFFFAOYSA-N -1 1 301.354 0.675 20 0 DCADMM CC(=O)NC1CCN(c2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001588840891 1166606288 /nfs/dbraw/zinc/60/62/88/1166606288.db2.gz CKLOXPYWALYFJD-UHFFFAOYSA-N -1 1 301.354 0.675 20 0 DCADMM CC(=O)OCC(C)(C)CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001588888021 1166612639 /nfs/dbraw/zinc/61/26/39/1166612639.db2.gz HTRDMEKUVNWRHR-UHFFFAOYSA-N -1 1 307.314 0.508 20 0 DCADMM CC(=O)OCC(C)(C)CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001588888021 1166612644 /nfs/dbraw/zinc/61/26/44/1166612644.db2.gz HTRDMEKUVNWRHR-UHFFFAOYSA-N -1 1 307.314 0.508 20 0 DCADMM CC(=O)Nc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001588878157 1166614437 /nfs/dbraw/zinc/61/44/37/1166614437.db2.gz ZUTYTCNRVFXJIH-UHFFFAOYSA-N -1 1 311.309 0.044 20 0 DCADMM CC(=O)c1ccc(CCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001588915065 1166617493 /nfs/dbraw/zinc/61/74/93/1166617493.db2.gz IXLVFFUCIDCJCL-UHFFFAOYSA-N -1 1 309.333 0.936 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H]2CCCC[C@@H]21)n1cnc(-c2nn[n-]n2)n1 ZINC001588962704 1166622340 /nfs/dbraw/zinc/62/23/40/1166622340.db2.gz GXYRZWLGCLZMAH-GUBZILKMSA-N -1 1 302.342 0.420 20 0 DCADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCC(=O)N1 ZINC001589011734 1166625991 /nfs/dbraw/zinc/62/59/91/1166625991.db2.gz KMLWCSXRBOXTSN-CBAPKCEASA-N -1 1 316.321 0.426 20 0 DCADMM C[C@@H](C(=O)NCc1ccc(Cl)o1)n1cnc(-c2nn[n-]n2)n1 ZINC001588997618 1166626815 /nfs/dbraw/zinc/62/68/15/1166626815.db2.gz IXIPMJBBWGHHFU-LURJTMIESA-N -1 1 322.716 0.582 20 0 DCADMM C[C@@H](C(=O)Nc1cc(Cl)[nH]n1)n1cnc(-c2nn[n-]n2)n1 ZINC001589011866 1166627221 /nfs/dbraw/zinc/62/72/21/1166627221.db2.gz PKJYGDOSSOGABT-BYPYZUCNSA-N -1 1 308.693 0.034 20 0 DCADMM C[C@@H](C(=O)OCC[C@@H]1CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001589025951 1166628773 /nfs/dbraw/zinc/62/87/73/1166628773.db2.gz GXTNJJISPMCUNZ-NKWVEPMBSA-N -1 1 313.268 0.608 20 0 DCADMM C[C@H](C(=O)OCC1CCC(=O)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028867 1166631145 /nfs/dbraw/zinc/63/11/45/1166631145.db2.gz ZCQFPPPQJPRACU-MRVPVSSYSA-N -1 1 319.325 0.322 20 0 DCADMM CC(C)(C)OC(=O)[C@@](C)(O)CNc1ccnc(-c2nnn[n-]2)c1 ZINC001589145235 1166637850 /nfs/dbraw/zinc/63/78/50/1166637850.db2.gz LAVSEQKDRYEEIA-AWEZNQCLSA-N -1 1 320.353 0.188 20 0 DCADMM CC(C)(C)OC(=O)[C@@](C)(O)CNc1ccnc(-c2nn[n-]n2)c1 ZINC001589145235 1166637853 /nfs/dbraw/zinc/63/78/53/1166637853.db2.gz LAVSEQKDRYEEIA-AWEZNQCLSA-N -1 1 320.353 0.188 20 0 DCADMM CC(C)(C)OC(=O)[C@@](C)(O)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001589145136 1166637896 /nfs/dbraw/zinc/63/78/96/1166637896.db2.gz HLPZEAPFUMCIDB-ZDUSSCGKSA-N -1 1 321.341 0.161 20 0 DCADMM CC(C)(C)OC(=O)[C@@](C)(O)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001589145136 1166637898 /nfs/dbraw/zinc/63/78/98/1166637898.db2.gz HLPZEAPFUMCIDB-ZDUSSCGKSA-N -1 1 321.341 0.161 20 0 DCADMM CC(C)(NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ncon1 ZINC001589319329 1166648194 /nfs/dbraw/zinc/64/81/94/1166648194.db2.gz LXAPNBSXZPFUPO-UHFFFAOYSA-N -1 1 300.282 0.310 20 0 DCADMM CC(C)(NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ncon1 ZINC001589319329 1166648200 /nfs/dbraw/zinc/64/82/00/1166648200.db2.gz LXAPNBSXZPFUPO-UHFFFAOYSA-N -1 1 300.282 0.310 20 0 DCADMM CC(C)(O)c1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001589339196 1166650352 /nfs/dbraw/zinc/65/03/52/1166650352.db2.gz VBLKASQWASZKJQ-UHFFFAOYSA-N -1 1 311.349 0.918 20 0 DCADMM CC(C)[C@@H](OC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC001589483942 1166660823 /nfs/dbraw/zinc/66/08/23/1166660823.db2.gz GCEAYQLYQQIWNE-SNVBAGLBSA-N -1 1 307.310 0.729 20 0 DCADMM CC(C)[C@@H](OC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC001589483942 1166660827 /nfs/dbraw/zinc/66/08/27/1166660827.db2.gz GCEAYQLYQQIWNE-SNVBAGLBSA-N -1 1 307.310 0.729 20 0 DCADMM CC(C)[C@@]1(CO)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589493681 1166663205 /nfs/dbraw/zinc/66/32/05/1166663205.db2.gz FPQLZWDOIXKSGQ-HNNXBMFYSA-N -1 1 316.365 0.742 20 0 DCADMM CC(C)[C@@]1(CO)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589493681 1166663207 /nfs/dbraw/zinc/66/32/07/1166663207.db2.gz FPQLZWDOIXKSGQ-HNNXBMFYSA-N -1 1 316.365 0.742 20 0 DCADMM CC(C)CC(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589530373 1166664893 /nfs/dbraw/zinc/66/48/93/1166664893.db2.gz KGXXAQIIEOYPOG-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)CC(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589530373 1166664899 /nfs/dbraw/zinc/66/48/99/1166664899.db2.gz KGXXAQIIEOYPOG-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)[C@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCO1 ZINC001589516973 1166665072 /nfs/dbraw/zinc/66/50/72/1166665072.db2.gz JLUGPDRSYGFQLV-GFCCVEGCSA-N -1 1 304.354 0.343 20 0 DCADMM CC(C)CC(=O)N1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001589527878 1166665721 /nfs/dbraw/zinc/66/57/21/1166665721.db2.gz WGKKVYJVSQLLOT-UHFFFAOYSA-N -1 1 315.381 0.956 20 0 DCADMM CC(C)CC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001589527878 1166665727 /nfs/dbraw/zinc/66/57/27/1166665727.db2.gz WGKKVYJVSQLLOT-UHFFFAOYSA-N -1 1 315.381 0.956 20 0 DCADMM CC(C)C[C@@]1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCNC1=O ZINC001589566265 1166666643 /nfs/dbraw/zinc/66/66/43/1166666643.db2.gz OOBNBBNNMKBFBY-ZDUSSCGKSA-N -1 1 318.341 0.081 20 0 DCADMM CC(C)C[C@@]1(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCNC1=O ZINC001589566265 1166666646 /nfs/dbraw/zinc/66/66/46/1166666646.db2.gz OOBNBBNNMKBFBY-ZDUSSCGKSA-N -1 1 318.341 0.081 20 0 DCADMM CC(C)NC(=O)Cc1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001589721626 1166676638 /nfs/dbraw/zinc/67/66/38/1166676638.db2.gz MQKILGTZEXQSLN-UHFFFAOYSA-N -1 1 314.309 0.379 20 0 DCADMM CC(C)NC(=O)Cc1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001589721626 1166676644 /nfs/dbraw/zinc/67/66/44/1166676644.db2.gz MQKILGTZEXQSLN-UHFFFAOYSA-N -1 1 314.309 0.379 20 0 DCADMM CC(C)OC1CN(Cc2cnc3c(-c4nnn[n-]4)cnn3c2)C1 ZINC001589739381 1166681745 /nfs/dbraw/zinc/68/17/45/1166681745.db2.gz IUAAGFWJFGQUSX-UHFFFAOYSA-N -1 1 314.353 0.519 20 0 DCADMM CC(C)OC1CN(Cc2cnc3c(-c4nn[n-]n4)cnn3c2)C1 ZINC001589739381 1166681748 /nfs/dbraw/zinc/68/17/48/1166681748.db2.gz IUAAGFWJFGQUSX-UHFFFAOYSA-N -1 1 314.353 0.519 20 0 DCADMM CC(C)c1noc(CCNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001589779368 1166686578 /nfs/dbraw/zinc/68/65/78/1166686578.db2.gz ZAWFEHXSVPQKAH-UHFFFAOYSA-N -1 1 301.314 0.240 20 0 DCADMM C[C@H](CCO)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589834923 1166693998 /nfs/dbraw/zinc/69/39/98/1166693998.db2.gz SGXTZLXSJCIDMC-MRVPVSSYSA-N -1 1 310.383 0.841 20 0 DCADMM C[C@H](CCNC(=O)c1ccnc(-c2nnn[n-]2)c1)[S@](C)=O ZINC001589826297 1166695643 /nfs/dbraw/zinc/69/56/43/1166695643.db2.gz RQDYCBBSEMVLKV-ZEDNOMKYSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@H](CCNC(=O)c1ccnc(-c2nn[n-]n2)c1)[S@](C)=O ZINC001589826297 1166695649 /nfs/dbraw/zinc/69/56/49/1166695649.db2.gz RQDYCBBSEMVLKV-ZEDNOMKYSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589850302 1166699818 /nfs/dbraw/zinc/69/98/18/1166699818.db2.gz HQORJJDIKQONSP-QMMMGPOBSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589850302 1166699822 /nfs/dbraw/zinc/69/98/22/1166699822.db2.gz HQORJJDIKQONSP-QMMMGPOBSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)S(N)(=O)=O ZINC001589879466 1166705756 /nfs/dbraw/zinc/70/57/56/1166705756.db2.gz MLBUGSKDUIAINK-VKHMYHEASA-N -1 1 323.791 0.066 20 0 DCADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)S(N)(=O)=O ZINC001589879466 1166705762 /nfs/dbraw/zinc/70/57/62/1166705762.db2.gz MLBUGSKDUIAINK-VKHMYHEASA-N -1 1 323.791 0.066 20 0 DCADMM C[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1nncn1C ZINC001589948509 1166728980 /nfs/dbraw/zinc/72/89/80/1166728980.db2.gz LYKOJANWECTUDG-ZCFIWIBFSA-N -1 1 304.339 0.548 20 0 DCADMM C[C@@H](O)C(C)(C)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589993449 1166740596 /nfs/dbraw/zinc/74/05/96/1166740596.db2.gz WKRYODIFDUCPJX-SECBINFHSA-N -1 1 304.354 0.327 20 0 DCADMM C[C@@H](O)C(C)(C)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589993449 1166740601 /nfs/dbraw/zinc/74/06/01/1166740601.db2.gz WKRYODIFDUCPJX-SECBINFHSA-N -1 1 304.354 0.327 20 0 DCADMM CC1(C)CCCN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590097403 1166771526 /nfs/dbraw/zinc/77/15/26/1166771526.db2.gz SILWRBPBOAMSAR-UHFFFAOYSA-N -1 1 315.337 0.601 20 0 DCADMM CC1(C)CCCN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590097403 1166771531 /nfs/dbraw/zinc/77/15/31/1166771531.db2.gz SILWRBPBOAMSAR-UHFFFAOYSA-N -1 1 315.337 0.601 20 0 DCADMM CC1(C)Cc2n[nH]cc2CN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590113216 1166779328 /nfs/dbraw/zinc/77/93/28/1166779328.db2.gz LDIXWMLFOPPKGN-UHFFFAOYSA-N -1 1 311.353 0.969 20 0 DCADMM CC1(C2(NS(=O)(=O)c3cccnc3-c3nn[n-]n3)CC2)CC1 ZINC001590122094 1166781623 /nfs/dbraw/zinc/78/16/23/1166781623.db2.gz MXOJQJWACDRPAC-UHFFFAOYSA-N -1 1 320.378 0.873 20 0 DCADMM C[C@]1(C2CC2)NC(=O)N(Cc2ccc(-c3nnn[n-]3)o2)C1=O ZINC001590122124 1166782447 /nfs/dbraw/zinc/78/24/47/1166782447.db2.gz OBWLJOLTBKPSPK-CYBMUJFWSA-N -1 1 302.294 0.680 20 0 DCADMM C[C@]1(C2CC2)NC(=O)N(Cc2ccc(-c3nn[n-]n3)o2)C1=O ZINC001590122124 1166782457 /nfs/dbraw/zinc/78/24/57/1166782457.db2.gz OBWLJOLTBKPSPK-CYBMUJFWSA-N -1 1 302.294 0.680 20 0 DCADMM C[C@]12COC[C@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001590154136 1166790341 /nfs/dbraw/zinc/79/03/41/1166790341.db2.gz AURHJAUGDRVDEY-YGRLFVJLSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@]12COC[C@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001590154136 1166790343 /nfs/dbraw/zinc/79/03/43/1166790343.db2.gz AURHJAUGDRVDEY-YGRLFVJLSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@@H]1C(=O)N(C)CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590163231 1166793945 /nfs/dbraw/zinc/79/39/45/1166793945.db2.gz HLFDFYHYWUYYTP-RXMQYKEDSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@@H]1C(=O)N(C)CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590163231 1166793949 /nfs/dbraw/zinc/79/39/49/1166793949.db2.gz HLFDFYHYWUYYTP-RXMQYKEDSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ncnn21 ZINC001590201874 1166812190 /nfs/dbraw/zinc/81/21/90/1166812190.db2.gz DYRNFSDETASYER-GMSGAONNSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ncnn21 ZINC001590201874 1166812193 /nfs/dbraw/zinc/81/21/93/1166812193.db2.gz DYRNFSDETASYER-GMSGAONNSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@H]1CCC(=O)CN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590218957 1166817790 /nfs/dbraw/zinc/81/77/90/1166817790.db2.gz NODIPHHCOHVCDO-ZETCQYMHSA-N -1 1 321.366 0.586 20 0 DCADMM C[C@H]1CCC(=O)CN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590218957 1166817798 /nfs/dbraw/zinc/81/77/98/1166817798.db2.gz NODIPHHCOHVCDO-ZETCQYMHSA-N -1 1 321.366 0.586 20 0 DCADMM C[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CS1(=O)=O ZINC001590238600 1166823331 /nfs/dbraw/zinc/82/33/31/1166823331.db2.gz GNZZWOXNUYXLPY-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CS1(=O)=O ZINC001590238600 1166823335 /nfs/dbraw/zinc/82/33/35/1166823335.db2.gz GNZZWOXNUYXLPY-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001590243349 1166826138 /nfs/dbraw/zinc/82/61/38/1166826138.db2.gz KILUPHCANFOPBE-UTLUCORTSA-N -1 1 304.358 0.399 20 0 DCADMM C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590253775 1166827800 /nfs/dbraw/zinc/82/78/00/1166827800.db2.gz JDUWKTDOKJFEPX-BBBLOLIVSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590284691 1166840490 /nfs/dbraw/zinc/84/04/90/1166840490.db2.gz LSQNLQUHCBWDNW-XFWSIPNHSA-N -1 1 320.357 0.044 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@@]1(C)CO ZINC001590293113 1166843025 /nfs/dbraw/zinc/84/30/25/1166843025.db2.gz UCBVNJFMCVTUMX-BMIGLBTASA-N -1 1 316.365 0.281 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@@]1(C)CO ZINC001590293113 1166843028 /nfs/dbraw/zinc/84/30/28/1166843028.db2.gz UCBVNJFMCVTUMX-BMIGLBTASA-N -1 1 316.365 0.281 20 0 DCADMM C[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC2(CCOCC2)O1 ZINC001590317136 1166862440 /nfs/dbraw/zinc/86/24/40/1166862440.db2.gz VJPYDMWHYNZFCA-JTQLQIEISA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC2(CCOCC2)O1 ZINC001590317136 1166862448 /nfs/dbraw/zinc/86/24/48/1166862448.db2.gz VJPYDMWHYNZFCA-JTQLQIEISA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CO[C@H](CO)CN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590323038 1166865341 /nfs/dbraw/zinc/86/53/41/1166865341.db2.gz JHQWZIKSQZQIQQ-IUCAKERBSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@H]1CO[C@H](CO)CN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590323038 1166865346 /nfs/dbraw/zinc/86/53/46/1166865346.db2.gz JHQWZIKSQZQIQQ-IUCAKERBSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@@H](C(=O)N1CCCSC[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590329764 1166867340 /nfs/dbraw/zinc/86/73/40/1166867340.db2.gz QYBRENQTQUKGSU-IUCAKERBSA-N -1 1 322.398 0.373 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590342313 1166876585 /nfs/dbraw/zinc/87/65/85/1166876585.db2.gz FQLQEVFFGOBTES-WTKPLQERSA-N -1 1 302.342 0.493 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590342313 1166876588 /nfs/dbraw/zinc/87/65/88/1166876588.db2.gz FQLQEVFFGOBTES-WTKPLQERSA-N -1 1 302.342 0.493 20 0 DCADMM C/C=C(/C)C(=O)NCCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001590345940 1166878945 /nfs/dbraw/zinc/87/89/45/1166878945.db2.gz BLPHQBQVWIYAMV-WMZJFQQLSA-N -1 1 316.369 0.565 20 0 DCADMM C/C=C(/C)C(=O)NCCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001590345940 1166878951 /nfs/dbraw/zinc/87/89/51/1166878951.db2.gz BLPHQBQVWIYAMV-WMZJFQQLSA-N -1 1 316.369 0.565 20 0 DCADMM CCC(=O)N[C@@H](C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590363576 1166887766 /nfs/dbraw/zinc/88/77/66/1166887766.db2.gz IYSBCYLNRLGONJ-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCC(=O)N[C@@H](C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590363576 1166887772 /nfs/dbraw/zinc/88/77/72/1166887772.db2.gz IYSBCYLNRLGONJ-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001590364237 1166889920 /nfs/dbraw/zinc/88/99/20/1166889920.db2.gz MZOIYOMFNLZHLN-VIFPVBQESA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001590364237 1166889926 /nfs/dbraw/zinc/88/99/26/1166889926.db2.gz MZOIYOMFNLZHLN-VIFPVBQESA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001590364291 1166890038 /nfs/dbraw/zinc/89/00/38/1166890038.db2.gz TWQWVFYNVIQLHM-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CCC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001590364291 1166890041 /nfs/dbraw/zinc/89/00/41/1166890041.db2.gz TWQWVFYNVIQLHM-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CCC(=O)NC[C@H](C)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001590364312 1166890338 /nfs/dbraw/zinc/89/03/38/1166890338.db2.gz UPHDKGHJWUULLU-ZETCQYMHSA-N -1 1 309.399 0.983 20 0 DCADMM CCC(C)(C)[C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590373232 1166892871 /nfs/dbraw/zinc/89/28/71/1166892871.db2.gz DKLGZAOBCHRUGO-BDAKNGLRSA-N -1 1 306.374 0.960 20 0 DCADMM CC[C@](C)(NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC001590381881 1166895999 /nfs/dbraw/zinc/89/59/99/1166895999.db2.gz JLCCMHASWNNQIL-SDBXPKJASA-N -1 1 304.358 0.714 20 0 DCADMM CC[C@@H](C)[C@@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590398996 1166897115 /nfs/dbraw/zinc/89/71/15/1166897115.db2.gz GYQGAVOGVSTCEF-HTQZYQBOSA-N -1 1 307.358 0.111 20 0 DCADMM CCC(CC)(CCO)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590426443 1166903213 /nfs/dbraw/zinc/90/32/13/1166903213.db2.gz GXHUMKKBHSOHNS-SECBINFHSA-N -1 1 322.373 0.077 20 0 DCADMM CCC(CC)N(CC)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590434797 1166905658 /nfs/dbraw/zinc/90/56/58/1166905658.db2.gz GLELSEONNXMDDK-UHFFFAOYSA-N -1 1 321.385 0.279 20 0 DCADMM CC[C@](COC)(NC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)OC ZINC001590448709 1166908418 /nfs/dbraw/zinc/90/84/18/1166908418.db2.gz NMUUVDPYRSEKRL-CYBMUJFWSA-N -1 1 323.309 0.158 20 0 DCADMM CC[C@](COC)(NC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)OC ZINC001590448709 1166908421 /nfs/dbraw/zinc/90/84/21/1166908421.db2.gz NMUUVDPYRSEKRL-CYBMUJFWSA-N -1 1 323.309 0.158 20 0 DCADMM CC[C@H](F)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590453591 1166909510 /nfs/dbraw/zinc/90/95/10/1166909510.db2.gz PAUFNZSXSJAXMF-NWALNABHSA-N -1 1 320.332 0.489 20 0 DCADMM CC[C@H](F)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590453591 1166909516 /nfs/dbraw/zinc/90/95/16/1166909516.db2.gz PAUFNZSXSJAXMF-NWALNABHSA-N -1 1 320.332 0.489 20 0 DCADMM CC[C@H](F)C(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590456961 1166912988 /nfs/dbraw/zinc/91/29/88/1166912988.db2.gz YNNNOKPEDCKRCF-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM CC[C@@H](O)CCNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001590476388 1166918979 /nfs/dbraw/zinc/91/89/79/1166918979.db2.gz VRDZJNATDJSOQQ-MRVPVSSYSA-N -1 1 306.326 0.167 20 0 DCADMM CCC(O)(CC)CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590474245 1166920872 /nfs/dbraw/zinc/92/08/72/1166920872.db2.gz BWAYYLHQPNTPNS-UHFFFAOYSA-N -1 1 318.381 0.862 20 0 DCADMM CCC(O)(CC)CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590474245 1166920882 /nfs/dbraw/zinc/92/08/82/1166920882.db2.gz BWAYYLHQPNTPNS-UHFFFAOYSA-N -1 1 318.381 0.862 20 0 DCADMM CCC1(CC)CN(c2cncc(-c3nnn[n-]3)n2)CC[S@@]1=O ZINC001590492195 1166924362 /nfs/dbraw/zinc/92/43/62/1166924362.db2.gz CISXZBOCAVOMIS-QFIPXVFZSA-N -1 1 321.410 0.784 20 0 DCADMM CCC1(CC)CN(c2cncc(-c3nn[n-]n3)n2)CC[S@@]1=O ZINC001590492195 1166924367 /nfs/dbraw/zinc/92/43/67/1166924367.db2.gz CISXZBOCAVOMIS-QFIPXVFZSA-N -1 1 321.410 0.784 20 0 DCADMM CC[C@@]1(O)CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590499568 1166925964 /nfs/dbraw/zinc/92/59/64/1166925964.db2.gz IKNBEAWFAGUHTR-CQSZACIVSA-N -1 1 301.354 0.885 20 0 DCADMM CC[C@@]1(O)CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590499568 1166925972 /nfs/dbraw/zinc/92/59/72/1166925972.db2.gz IKNBEAWFAGUHTR-CQSZACIVSA-N -1 1 301.354 0.885 20 0 DCADMM CC[C@H]1C(=O)N(CC)CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590499803 1166926649 /nfs/dbraw/zinc/92/66/49/1166926649.db2.gz NNKQDCLLIBBRRB-VIFPVBQESA-N -1 1 318.337 0.543 20 0 DCADMM CC[C@H]1C(=O)N(CC)CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590499803 1166926652 /nfs/dbraw/zinc/92/66/52/1166926652.db2.gz NNKQDCLLIBBRRB-VIFPVBQESA-N -1 1 318.337 0.543 20 0 DCADMM CC[C@@H]1CCCC[C@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590510025 1166929199 /nfs/dbraw/zinc/92/91/99/1166929199.db2.gz DYZVROSIGMPMMN-MNOVXSKESA-N -1 1 318.385 0.791 20 0 DCADMM CC[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@@H](C)[S@@]1=O ZINC001590523725 1166934275 /nfs/dbraw/zinc/93/42/75/1166934275.db2.gz KWDGDOIEEHKWND-FQJNGZCASA-N -1 1 307.383 0.393 20 0 DCADMM CC/C=C(/C)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590525697 1166934872 /nfs/dbraw/zinc/93/48/72/1166934872.db2.gz UIMLAAAYTKAJNO-YHYXMXQVSA-N -1 1 316.369 0.883 20 0 DCADMM CC/C=C(/C)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590525697 1166934877 /nfs/dbraw/zinc/93/48/77/1166934877.db2.gz UIMLAAAYTKAJNO-YHYXMXQVSA-N -1 1 316.369 0.883 20 0 DCADMM CCCC(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001590536438 1166937786 /nfs/dbraw/zinc/93/77/86/1166937786.db2.gz IRUKTYGUHDVJDR-VIFPVBQESA-N -1 1 304.358 0.398 20 0 DCADMM CCCC(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001590536438 1166937791 /nfs/dbraw/zinc/93/77/91/1166937791.db2.gz IRUKTYGUHDVJDR-VIFPVBQESA-N -1 1 304.358 0.398 20 0 DCADMM CCCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001590538159 1166939626 /nfs/dbraw/zinc/93/96/26/1166939626.db2.gz DLLHHFWOHQEXAG-UHFFFAOYSA-N -1 1 306.330 0.165 20 0 DCADMM CCCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001590538159 1166939631 /nfs/dbraw/zinc/93/96/31/1166939631.db2.gz DLLHHFWOHQEXAG-UHFFFAOYSA-N -1 1 306.330 0.165 20 0 DCADMM CCC[C@@H](CCO)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590556580 1166941428 /nfs/dbraw/zinc/94/14/28/1166941428.db2.gz RVJGAEYQZXJPSC-NSHDSACASA-N -1 1 304.354 0.472 20 0 DCADMM CCC[C@@H](CCO)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590556580 1166941432 /nfs/dbraw/zinc/94/14/32/1166941432.db2.gz RVJGAEYQZXJPSC-NSHDSACASA-N -1 1 304.354 0.472 20 0 DCADMM CCC[C@@H](C)C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590547561 1166942560 /nfs/dbraw/zinc/94/25/60/1166942560.db2.gz GGKDULXOXVNDOX-SECBINFHSA-N -1 1 304.358 0.621 20 0 DCADMM CCC[C@@H](C)C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590547561 1166942566 /nfs/dbraw/zinc/94/25/66/1166942566.db2.gz GGKDULXOXVNDOX-SECBINFHSA-N -1 1 304.358 0.621 20 0 DCADMM CCCCC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590570902 1166945827 /nfs/dbraw/zinc/94/58/27/1166945827.db2.gz TVTNMQRUOSLDLM-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCCCC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590570902 1166945832 /nfs/dbraw/zinc/94/58/32/1166945832.db2.gz TVTNMQRUOSLDLM-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCCCC(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001590571677 1166946094 /nfs/dbraw/zinc/94/60/94/1166946094.db2.gz AARJVLCCRRSDHM-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCCCC(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001590571677 1166946099 /nfs/dbraw/zinc/94/60/99/1166946099.db2.gz AARJVLCCRRSDHM-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCCCCN(CC(N)=O)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590595991 1166946673 /nfs/dbraw/zinc/94/66/73/1166946673.db2.gz BFMQGFULQYNFBR-UHFFFAOYSA-N -1 1 317.353 0.379 20 0 DCADMM CCCCCN(CC(N)=O)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590595991 1166946682 /nfs/dbraw/zinc/94/66/82/1166946682.db2.gz BFMQGFULQYNFBR-UHFFFAOYSA-N -1 1 317.353 0.379 20 0 DCADMM CCCCNC(=O)Cc1noc(-c2coc(-c3nnn[n-]3)c2)n1 ZINC001590603753 1166949481 /nfs/dbraw/zinc/94/94/81/1166949481.db2.gz QLWJKRYYUDBFMB-UHFFFAOYSA-N -1 1 317.309 0.969 20 0 DCADMM CCCCNC(=O)Cc1noc(-c2coc(-c3nn[n-]n3)c2)n1 ZINC001590603753 1166949489 /nfs/dbraw/zinc/94/94/89/1166949489.db2.gz QLWJKRYYUDBFMB-UHFFFAOYSA-N -1 1 317.309 0.969 20 0 DCADMM CCCCN(CCCO)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590601148 1166950193 /nfs/dbraw/zinc/95/01/93/1166950193.db2.gz KYAFGRFCJUXRHV-SNVBAGLBSA-N -1 1 322.373 0.030 20 0 DCADMM CCCN(CC(=O)OC)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590621210 1166952604 /nfs/dbraw/zinc/95/26/04/1166952604.db2.gz DHUPJQNVTSROHS-UHFFFAOYSA-N -1 1 305.342 0.609 20 0 DCADMM CCCN(CC(=O)OC)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590621210 1166952611 /nfs/dbraw/zinc/95/26/11/1166952611.db2.gz DHUPJQNVTSROHS-UHFFFAOYSA-N -1 1 305.342 0.609 20 0 DCADMM CCCc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)[nH]n1 ZINC001590657366 1166962171 /nfs/dbraw/zinc/96/21/71/1166962171.db2.gz MLACMSZFIPDLTM-UHFFFAOYSA-N -1 1 318.366 0.929 20 0 DCADMM CCCc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)[nH]n1 ZINC001590657366 1166962178 /nfs/dbraw/zinc/96/21/78/1166962178.db2.gz MLACMSZFIPDLTM-UHFFFAOYSA-N -1 1 318.366 0.929 20 0 DCADMM CCN(C[C@@H]1CCCO1)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590691533 1166976434 /nfs/dbraw/zinc/97/64/34/1166976434.db2.gz RTZVDFMFNSEQFD-ZJUUUORDSA-N -1 1 320.357 0.047 20 0 DCADMM CCN(CCCNC(=O)C(C)C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590694368 1166977292 /nfs/dbraw/zinc/97/72/92/1166977292.db2.gz XOGDBEOLYBJXRC-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCCNC(=O)C(C)C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590694368 1166977298 /nfs/dbraw/zinc/97/72/98/1166977298.db2.gz XOGDBEOLYBJXRC-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN1C[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)s2)CC1=O ZINC001590729006 1166986491 /nfs/dbraw/zinc/98/64/91/1166986491.db2.gz HQNFESVTZPHVML-MRVPVSSYSA-N -1 1 321.362 0.840 20 0 DCADMM CCNC(=O)C(C)(C)CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590737074 1166994078 /nfs/dbraw/zinc/99/40/78/1166994078.db2.gz CSIMJEPKJBWKMU-UHFFFAOYSA-N -1 1 322.394 0.820 20 0 DCADMM CCNC(=O)C(C)(C)CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590737074 1166994083 /nfs/dbraw/zinc/99/40/83/1166994083.db2.gz CSIMJEPKJBWKMU-UHFFFAOYSA-N -1 1 322.394 0.820 20 0 DCADMM CCOC(=O)[C@@](C)(O)CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590751605 1167005438 /nfs/dbraw/zinc/00/54/38/1167005438.db2.gz RIYKAUDKMTVJRN-ZDUSSCGKSA-N -1 1 306.326 0.296 20 0 DCADMM CCOC(=O)[C@@](C)(O)CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590751605 1167005444 /nfs/dbraw/zinc/00/54/44/1167005444.db2.gz RIYKAUDKMTVJRN-ZDUSSCGKSA-N -1 1 306.326 0.296 20 0 DCADMM CCOC(=O)CCCCCn1cnc(-c2nn[n-]n2)cc1=O ZINC001590761423 1167011999 /nfs/dbraw/zinc/01/19/99/1167011999.db2.gz AIOAWCOCAOUHHD-UHFFFAOYSA-N -1 1 306.326 0.547 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1Cn1c(=O)ccc(-c2nn[n-]n2)c1OC ZINC001590771061 1167017061 /nfs/dbraw/zinc/01/70/61/1167017061.db2.gz WAWIZAOWYMSQHH-WCBMZHEXSA-N -1 1 319.321 0.236 20 0 DCADMM CCO[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001590779372 1167020037 /nfs/dbraw/zinc/02/00/37/1167020037.db2.gz VCEFKOKTWSYZJC-JTQLQIEISA-N -1 1 308.367 0.755 20 0 DCADMM CCO[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001590779372 1167020043 /nfs/dbraw/zinc/02/00/43/1167020043.db2.gz VCEFKOKTWSYZJC-JTQLQIEISA-N -1 1 308.367 0.755 20 0 DCADMM CCOC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)C ZINC001590800638 1167024528 /nfs/dbraw/zinc/02/45/28/1167024528.db2.gz STLRNWQCHCSYJA-SNVBAGLBSA-N -1 1 322.373 0.783 20 0 DCADMM CCOC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC001590800638 1167024533 /nfs/dbraw/zinc/02/45/33/1167024533.db2.gz STLRNWQCHCSYJA-SNVBAGLBSA-N -1 1 322.373 0.783 20 0 DCADMM CCOCCO[C@@H](C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590815022 1167029644 /nfs/dbraw/zinc/02/96/44/1167029644.db2.gz NXIAHCXAMAQQIT-JTQLQIEISA-N -1 1 320.353 0.320 20 0 DCADMM CCOCCO[C@@H](C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590815022 1167029650 /nfs/dbraw/zinc/02/96/50/1167029650.db2.gz NXIAHCXAMAQQIT-JTQLQIEISA-N -1 1 320.353 0.320 20 0 DCADMM CCO[C@@]1(C)C[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590821258 1167032556 /nfs/dbraw/zinc/03/25/56/1167032556.db2.gz JNMZCWCEVWTOGM-RISCZKNCSA-N -1 1 302.338 0.488 20 0 DCADMM CCO[C@@]1(C)C[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590821258 1167032559 /nfs/dbraw/zinc/03/25/59/1167032559.db2.gz JNMZCWCEVWTOGM-RISCZKNCSA-N -1 1 302.338 0.488 20 0 DCADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590822512 1167033316 /nfs/dbraw/zinc/03/33/16/1167033316.db2.gz OOBUHXIDFONIHF-KYZUINATSA-N -1 1 324.366 0.108 20 0 DCADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590822512 1167033319 /nfs/dbraw/zinc/03/33/19/1167033319.db2.gz OOBUHXIDFONIHF-KYZUINATSA-N -1 1 324.366 0.108 20 0 DCADMM CC[C@@H]1C[C@H]1Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC001590859885 1167041229 /nfs/dbraw/zinc/04/12/29/1167041229.db2.gz BTFOBHYZNNGEGR-BDAKNGLRSA-N -1 1 303.322 0.861 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@](C)(O)CC2)n1 ZINC001590906854 1167046009 /nfs/dbraw/zinc/04/60/09/1167046009.db2.gz ZFHGDQRBLIXDDH-AWEZNQCLSA-N -1 1 303.370 0.960 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@](C)(O)CC2)n1 ZINC001590906854 1167046015 /nfs/dbraw/zinc/04/60/15/1167046015.db2.gz ZFHGDQRBLIXDDH-AWEZNQCLSA-N -1 1 303.370 0.960 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)n1 ZINC001590904416 1167047034 /nfs/dbraw/zinc/04/70/34/1167047034.db2.gz BGRKBNHKVMIFAS-WOFXILAISA-N -1 1 303.370 0.672 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)n1 ZINC001590904416 1167047042 /nfs/dbraw/zinc/04/70/42/1167047042.db2.gz BGRKBNHKVMIFAS-WOFXILAISA-N -1 1 303.370 0.672 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCOC[C@@H]2COC)n1 ZINC001590908351 1167049273 /nfs/dbraw/zinc/04/92/73/1167049273.db2.gz PEGJMHZYOJPNPA-VIFPVBQESA-N -1 1 305.342 0.071 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCOC[C@@H]2COC)n1 ZINC001590908351 1167049278 /nfs/dbraw/zinc/04/92/78/1167049278.db2.gz PEGJMHZYOJPNPA-VIFPVBQESA-N -1 1 305.342 0.071 20 0 DCADMM CCc1nc(N[C@@H]2CCC[C@H]2C(=O)NC)cc(-c2nnn[n-]2)n1 ZINC001590917332 1167052077 /nfs/dbraw/zinc/05/20/77/1167052077.db2.gz NCAMCLFQCAMGKN-RKDXNWHRSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(N[C@@H]2CCC[C@H]2C(=O)NC)cc(-c2nn[n-]n2)n1 ZINC001590917332 1167052079 /nfs/dbraw/zinc/05/20/79/1167052079.db2.gz NCAMCLFQCAMGKN-RKDXNWHRSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(N[C@H]2C[C@H](C(=O)OC)C2)cc(-c2nnn[n-]2)n1 ZINC001590923519 1167052121 /nfs/dbraw/zinc/05/21/21/1167052121.db2.gz RVJWQBKYTRVSFY-ZKCHVHJHSA-N -1 1 303.326 0.583 20 0 DCADMM CCc1nc(N[C@H]2C[C@H](C(=O)OC)C2)cc(-c2nn[n-]n2)n1 ZINC001590923519 1167052124 /nfs/dbraw/zinc/05/21/24/1167052124.db2.gz RVJWQBKYTRVSFY-ZKCHVHJHSA-N -1 1 303.326 0.583 20 0 DCADMM CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N(C)CC1CC1 ZINC001590944572 1167056119 /nfs/dbraw/zinc/05/61/19/1167056119.db2.gz QZRDTOKFSMJKGV-UHFFFAOYSA-N -1 1 314.357 0.714 20 0 DCADMM CCn1cc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)cn1 ZINC001590951806 1167057482 /nfs/dbraw/zinc/05/74/82/1167057482.db2.gz MNADVSCBWVBCMD-SECBINFHSA-N -1 1 312.337 0.969 20 0 DCADMM CCn1cc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)cn1 ZINC001590951806 1167057487 /nfs/dbraw/zinc/05/74/87/1167057487.db2.gz MNADVSCBWVBCMD-SECBINFHSA-N -1 1 312.337 0.969 20 0 DCADMM CN(C(=O)C=Cc1ccncn1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590978674 1167065894 /nfs/dbraw/zinc/06/58/94/1167065894.db2.gz WCGGWJXJPODFRB-GORDUTHDSA-N -1 1 308.305 0.728 20 0 DCADMM CN(C(=O)C=Cc1ccncn1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590978674 1167065899 /nfs/dbraw/zinc/06/58/99/1167065899.db2.gz WCGGWJXJPODFRB-GORDUTHDSA-N -1 1 308.305 0.728 20 0 DCADMM CN(C(=O)/C=C/[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977921 1167066308 /nfs/dbraw/zinc/06/63/08/1167066308.db2.gz HRFRIJVIXHCXLU-ZRQQLDRUSA-N -1 1 300.322 0.960 20 0 DCADMM CN(C(=O)/C=C/[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977921 1167066311 /nfs/dbraw/zinc/06/63/11/1167066311.db2.gz HRFRIJVIXHCXLU-ZRQQLDRUSA-N -1 1 300.322 0.960 20 0 DCADMM CN(C)C(=O)[C@H]1CSCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591000198 1167070869 /nfs/dbraw/zinc/07/08/69/1167070869.db2.gz NNUJLPWOFMTXED-MRVPVSSYSA-N -1 1 322.350 0.063 20 0 DCADMM CN(C)C(=O)[C@H]1CSCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591000198 1167070874 /nfs/dbraw/zinc/07/08/74/1167070874.db2.gz NNUJLPWOFMTXED-MRVPVSSYSA-N -1 1 322.350 0.063 20 0 DCADMM CN(Cc1nncn1C)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591153658 1167118701 /nfs/dbraw/zinc/11/87/01/1167118701.db2.gz AZOJEXBYOSCLFX-UHFFFAOYSA-N -1 1 316.300 0.407 20 0 DCADMM CN(Cc1nncn1C)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591153658 1167118708 /nfs/dbraw/zinc/11/87/08/1167118708.db2.gz AZOJEXBYOSCLFX-UHFFFAOYSA-N -1 1 316.300 0.407 20 0 DCADMM CN(c1cccc(O)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591157111 1167119206 /nfs/dbraw/zinc/11/92/06/1167119206.db2.gz DPGXBGKNJRKBJF-UHFFFAOYSA-N -1 1 321.318 0.990 20 0 DCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H](CO)Cc1ccccc1 ZINC001591159237 1167121244 /nfs/dbraw/zinc/12/12/44/1167121244.db2.gz VDFXGJZQDBLVKK-GFCCVEGCSA-N -1 1 311.349 0.697 20 0 DCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H](CO)Cc1ccccc1 ZINC001591159237 1167121250 /nfs/dbraw/zinc/12/12/50/1167121250.db2.gz VDFXGJZQDBLVKK-GFCCVEGCSA-N -1 1 311.349 0.697 20 0 DCADMM CN1C(=O)CC[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001591163644 1167122020 /nfs/dbraw/zinc/12/20/20/1167122020.db2.gz PSXWDPLVPHIQBY-QMMMGPOBSA-N -1 1 307.335 0.592 20 0 DCADMM CN1C[C@H](COC(=O)c2cccc(F)c2-c2nnn[n-]2)CC1=O ZINC001591172788 1167126824 /nfs/dbraw/zinc/12/68/24/1167126824.db2.gz YOHAKZKEAVZTLM-MRVPVSSYSA-N -1 1 319.296 0.641 20 0 DCADMM CN1C[C@H](COC(=O)c2cccc(F)c2-c2nn[n-]n2)CC1=O ZINC001591172788 1167126826 /nfs/dbraw/zinc/12/68/26/1167126826.db2.gz YOHAKZKEAVZTLM-MRVPVSSYSA-N -1 1 319.296 0.641 20 0 DCADMM CN1CC[C@@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)C1=O ZINC001591179357 1167132858 /nfs/dbraw/zinc/13/28/58/1167132858.db2.gz LMDOTBGUKKGWKW-JTQLQIEISA-N -1 1 324.344 0.660 20 0 DCADMM CNS(=O)(=O)CCSc1cccc(F)c1-c1nn[n-]n1 ZINC001591220560 1167163738 /nfs/dbraw/zinc/16/37/38/1167163738.db2.gz YQBDEXXFKYVSEJ-UHFFFAOYSA-N -1 1 317.371 0.647 20 0 DCADMM COC(=O)C(C)(C)C(=O)Cn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001591225824 1167166342 /nfs/dbraw/zinc/16/63/42/1167166342.db2.gz AWOGSTUTTRPFEJ-UHFFFAOYSA-N -1 1 319.321 0.105 20 0 DCADMM CNc1snc(C)c1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001591226589 1167166393 /nfs/dbraw/zinc/16/63/93/1167166393.db2.gz ZKQPWTDWVLJPTL-UHFFFAOYSA-N -1 1 305.327 0.649 20 0 DCADMM CNc1snc(C)c1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001591226589 1167166394 /nfs/dbraw/zinc/16/63/94/1167166394.db2.gz ZKQPWTDWVLJPTL-UHFFFAOYSA-N -1 1 305.327 0.649 20 0 DCADMM COC(=O)[C@]1(C)CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591244088 1167172213 /nfs/dbraw/zinc/17/22/13/1167172213.db2.gz JOJCMLGQASIVSY-CYBMUJFWSA-N -1 1 321.362 0.953 20 0 DCADMM COC(=O)[C@]1(C)CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001591244088 1167172218 /nfs/dbraw/zinc/17/22/18/1167172218.db2.gz JOJCMLGQASIVSY-CYBMUJFWSA-N -1 1 321.362 0.953 20 0 DCADMM COC(=O)C1=NO[C@@H](CSc2cccnc2-c2nnn[n-]2)C1 ZINC001591246072 1167174940 /nfs/dbraw/zinc/17/49/40/1167174940.db2.gz BLSATSCTJISNLZ-SSDOTTSWSA-N -1 1 320.334 0.672 20 0 DCADMM COC(=O)C1=NO[C@@H](CSc2cccnc2-c2nn[n-]n2)C1 ZINC001591246072 1167174950 /nfs/dbraw/zinc/17/49/50/1167174950.db2.gz BLSATSCTJISNLZ-SSDOTTSWSA-N -1 1 320.334 0.672 20 0 DCADMM COC(=O)C1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001591253990 1167178420 /nfs/dbraw/zinc/17/84/20/1167178420.db2.gz UNTVQOGDYQFRPR-UHFFFAOYSA-N -1 1 303.326 0.355 20 0 DCADMM COC(=O)C1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001591253990 1167178423 /nfs/dbraw/zinc/17/84/23/1167178423.db2.gz 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ZINC001591283116 1167201977 /nfs/dbraw/zinc/20/19/77/1167201977.db2.gz UIEUZRUCDBGHPR-JTQLQIEISA-N -1 1 302.338 0.960 20 0 DCADMM COC(=O)c1ccc(N(C)C[C@@H]2CCCO2)c(-c2nnn[n-]2)n1 ZINC001591293423 1167203114 /nfs/dbraw/zinc/20/31/14/1167203114.db2.gz DWOYNBKBLOLZLD-VIFPVBQESA-N -1 1 318.337 0.664 20 0 DCADMM COC(=O)c1ccc(N(C)C[C@@H]2CCCO2)c(-c2nn[n-]n2)n1 ZINC001591293423 1167203122 /nfs/dbraw/zinc/20/31/22/1167203122.db2.gz DWOYNBKBLOLZLD-VIFPVBQESA-N -1 1 318.337 0.664 20 0 DCADMM COC(=O)c1ccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)o1 ZINC001591293211 1167204477 /nfs/dbraw/zinc/20/44/77/1167204477.db2.gz LSJBELGSSPYMEA-UHFFFAOYSA-N -1 1 313.277 0.744 20 0 DCADMM COC(C)(C)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591316204 1167210710 /nfs/dbraw/zinc/21/07/10/1167210710.db2.gz FRBWCSBAKNIPKW-UHFFFAOYSA-N -1 1 315.355 0.505 20 0 DCADMM COC(CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)OC ZINC001591329807 1167217456 /nfs/dbraw/zinc/21/74/56/1167217456.db2.gz MNONSEOEVOQTPU-UHFFFAOYSA-N -1 1 313.264 0.494 20 0 DCADMM COC(CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)OC ZINC001591329807 1167217460 /nfs/dbraw/zinc/21/74/60/1167217460.db2.gz MNONSEOEVOQTPU-UHFFFAOYSA-N -1 1 313.264 0.494 20 0 DCADMM COC1(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001591343897 1167225860 /nfs/dbraw/zinc/22/58/60/1167225860.db2.gz JYRSZKSMLHJFPM-UHFFFAOYSA-N -1 1 303.322 0.917 20 0 DCADMM COC1(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001591343897 1167225870 /nfs/dbraw/zinc/22/58/70/1167225870.db2.gz JYRSZKSMLHJFPM-UHFFFAOYSA-N -1 1 303.322 0.917 20 0 DCADMM CO[C@H]1CCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591354718 1167231094 /nfs/dbraw/zinc/23/10/94/1167231094.db2.gz QMUVSGCKARSLOZ-JTQLQIEISA-N -1 1 303.326 0.904 20 0 DCADMM CO[C@H]1CCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591354718 1167231098 /nfs/dbraw/zinc/23/10/98/1167231098.db2.gz QMUVSGCKARSLOZ-JTQLQIEISA-N -1 1 303.326 0.904 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)c1nc(-c2nnn[n-]2)ccc1C ZINC001591361093 1167235966 /nfs/dbraw/zinc/23/59/66/1167235966.db2.gz JCXOXGFFNSMDRX-NWDGAFQWSA-N -1 1 304.354 0.810 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)c1nc(-c2nn[n-]n2)ccc1C ZINC001591361093 1167235973 /nfs/dbraw/zinc/23/59/73/1167235973.db2.gz JCXOXGFFNSMDRX-NWDGAFQWSA-N -1 1 304.354 0.810 20 0 DCADMM CO[C@@H]1CCC[C@H]1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591362610 1167237141 /nfs/dbraw/zinc/23/71/41/1167237141.db2.gz SCFIAFNQJSNKII-CMPLNLGQSA-N -1 1 302.338 0.807 20 0 DCADMM CO[C@@H]1CCC[C@H]1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591362610 1167237153 /nfs/dbraw/zinc/23/71/53/1167237153.db2.gz SCFIAFNQJSNKII-CMPLNLGQSA-N -1 1 302.338 0.807 20 0 DCADMM CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@H]1C ZINC001591363924 1167240517 /nfs/dbraw/zinc/24/05/17/1167240517.db2.gz WXVGLBLNQZPAOK-BXKDBHETSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@H]1C ZINC001591363924 1167240521 /nfs/dbraw/zinc/24/05/21/1167240521.db2.gz WXVGLBLNQZPAOK-BXKDBHETSA-N -1 1 302.338 0.759 20 0 DCADMM COCC(C)(C)COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591369388 1167243088 /nfs/dbraw/zinc/24/30/88/1167243088.db2.gz OASRYDDMMPUPOD-MRVPVSSYSA-N -1 1 309.330 0.235 20 0 DCADMM COC[C@@H](CCO)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591375204 1167247085 /nfs/dbraw/zinc/24/70/85/1167247085.db2.gz CHFCSTHXOYMETB-MRVPVSSYSA-N -1 1 309.301 0.133 20 0 DCADMM COC[C@@H](CCO)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591375204 1167247087 /nfs/dbraw/zinc/24/70/87/1167247087.db2.gz CHFCSTHXOYMETB-MRVPVSSYSA-N -1 1 309.301 0.133 20 0 DCADMM COC[C@@H](CCO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591376589 1167248067 /nfs/dbraw/zinc/24/80/67/1167248067.db2.gz UOMZVDXNFPKDBB-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM COC[C@@H](CCO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591376589 1167248073 /nfs/dbraw/zinc/24/80/73/1167248073.db2.gz UOMZVDXNFPKDBB-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM COC[C@H](CCNC(=O)c1ccc(-c2nnn[n-]2)nc1)OC ZINC001591376579 1167248243 /nfs/dbraw/zinc/24/82/43/1167248243.db2.gz ULYODYDETHMGCG-JTQLQIEISA-N -1 1 306.326 0.043 20 0 DCADMM COC[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)nc1)OC ZINC001591376579 1167248249 /nfs/dbraw/zinc/24/82/49/1167248249.db2.gz ULYODYDETHMGCG-JTQLQIEISA-N -1 1 306.326 0.043 20 0 DCADMM COC[C@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591377602 1167249799 /nfs/dbraw/zinc/24/97/99/1167249799.db2.gz KLAZTVBSDHHJGU-JTQLQIEISA-N -1 1 304.354 0.910 20 0 DCADMM COC[C@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591377602 1167249804 /nfs/dbraw/zinc/24/98/04/1167249804.db2.gz KLAZTVBSDHHJGU-JTQLQIEISA-N -1 1 304.354 0.910 20 0 DCADMM COCCCCc1noc([C@@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001591413760 1167272467 /nfs/dbraw/zinc/27/24/67/1167272467.db2.gz YPQVSGYNDKLUSB-MRVPVSSYSA-N -1 1 319.329 0.420 20 0 DCADMM COCCC1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)CC1 ZINC001591404112 1167273179 /nfs/dbraw/zinc/27/31/79/1167273179.db2.gz WXTSYWREGMICLN-UHFFFAOYSA-N -1 1 318.381 0.734 20 0 DCADMM COCCOC1CN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591433229 1167283527 /nfs/dbraw/zinc/28/35/27/1167283527.db2.gz AOLUDSJERSFXLI-UHFFFAOYSA-N -1 1 307.310 0.256 20 0 DCADMM COCCOC1CN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591433229 1167283530 /nfs/dbraw/zinc/28/35/30/1167283530.db2.gz AOLUDSJERSFXLI-UHFFFAOYSA-N -1 1 307.310 0.256 20 0 DCADMM COCCO[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001591433899 1167285618 /nfs/dbraw/zinc/28/56/18/1167285618.db2.gz LTXCSFDGSVQCLW-VIFPVBQESA-N -1 1 310.383 0.873 20 0 DCADMM COCCn1cc(CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001591450691 1167292165 /nfs/dbraw/zinc/29/21/65/1167292165.db2.gz RDALXUXTPAGGNY-UHFFFAOYSA-N -1 1 301.314 0.112 20 0 DCADMM COCCn1cc(CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001591450691 1167292173 /nfs/dbraw/zinc/29/21/73/1167292173.db2.gz RDALXUXTPAGGNY-UHFFFAOYSA-N -1 1 301.314 0.112 20 0 DCADMM COc1c(C)cnc(Cn2cnc(-c3nn[n-]n3)cc2=O)c1C ZINC001591476434 1167305866 /nfs/dbraw/zinc/30/58/66/1167305866.db2.gz BDFUFBAESBFCHD-UHFFFAOYSA-N -1 1 313.321 0.492 20 0 DCADMM COc1cc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)sn1 ZINC001591540129 1167327032 /nfs/dbraw/zinc/32/70/32/1167327032.db2.gz NNHASSVJYHCGLI-UHFFFAOYSA-N -1 1 304.335 0.850 20 0 DCADMM COc1ccc(C(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)cc1 ZINC001591571311 1167332413 /nfs/dbraw/zinc/33/24/13/1167332413.db2.gz HQTUMLAOQIAOCU-UHFFFAOYSA-N -1 1 311.301 0.920 20 0 DCADMM COc1ccccc1[C@H](O)CNc1ncncc1-c1nn[n-]n1 ZINC001591648479 1167340312 /nfs/dbraw/zinc/34/03/12/1167340312.db2.gz CZDZEWZIVWXSQY-LLVKDONJSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccccc1[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001591646852 1167340525 /nfs/dbraw/zinc/34/05/25/1167340525.db2.gz VSFKXRBROMVSBX-NSHDSACASA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccccc1[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001591646852 1167340531 /nfs/dbraw/zinc/34/05/31/1167340531.db2.gz VSFKXRBROMVSBX-NSHDSACASA-N -1 1 313.321 0.811 20 0 DCADMM COc1ncc(NC(=O)N(C)C[C@@H](C)O)cc1-c1nn[n-]n1 ZINC001591664147 1167343780 /nfs/dbraw/zinc/34/37/80/1167343780.db2.gz BYLMURKKPIJAKR-SSDOTTSWSA-N -1 1 307.314 0.115 20 0 DCADMM COc1ncc(NC(=O)N[C@]2(C)CCOC2)cc1-c1nn[n-]n1 ZINC001591663771 1167344589 /nfs/dbraw/zinc/34/45/89/1167344589.db2.gz DALNTQVHFGTUSL-CYBMUJFWSA-N -1 1 319.325 0.571 20 0 DCADMM COc1ncc(NC(=O)[C@]2(C)CCCO2)cc1-c1nn[n-]n1 ZINC001591665316 1167346995 /nfs/dbraw/zinc/34/69/95/1167346995.db2.gz VBCBMXWTDHZLHK-ZDUSSCGKSA-N -1 1 304.310 0.778 20 0 DCADMM C[C@@H]1CC[C@H](O)CN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591735447 1167362751 /nfs/dbraw/zinc/36/27/51/1167362751.db2.gz QKFAUUBPIWJBGE-KOLCDFICSA-N -1 1 302.338 0.176 20 0 DCADMM C[C@@H]1CC[C@H](O)CN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591735447 1167362758 /nfs/dbraw/zinc/36/27/58/1167362758.db2.gz QKFAUUBPIWJBGE-KOLCDFICSA-N -1 1 302.338 0.176 20 0 DCADMM C[C@@H]1CC[C@H](O)CN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591735637 1167363376 /nfs/dbraw/zinc/36/33/76/1167363376.db2.gz QZRGHNIUJIIKQS-BDAKNGLRSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@@H]1CC[C@H](O)CN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591735637 1167363384 /nfs/dbraw/zinc/36/33/84/1167363384.db2.gz QZRGHNIUJIIKQS-BDAKNGLRSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@@H]1C[C@H](CO)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591757694 1167366016 /nfs/dbraw/zinc/36/60/16/1167366016.db2.gz LXHKQTMCIXNFOY-ZYHUDNBSSA-N -1 1 316.365 0.424 20 0 DCADMM C[C@@H]1C[C@H](CO)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591757694 1167366021 /nfs/dbraw/zinc/36/60/21/1167366021.db2.gz LXHKQTMCIXNFOY-ZYHUDNBSSA-N -1 1 316.365 0.424 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)N1CCCC1 ZINC001591768566 1167371095 /nfs/dbraw/zinc/37/10/95/1167371095.db2.gz FWKSDIVNQXGSCU-QMMMGPOBSA-N -1 1 304.310 0.200 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)N1CCCC1 ZINC001591768566 1167371102 /nfs/dbraw/zinc/37/11/02/1167371102.db2.gz FWKSDIVNQXGSCU-QMMMGPOBSA-N -1 1 304.310 0.200 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001591835960 1167389926 /nfs/dbraw/zinc/38/99/26/1167389926.db2.gz PNNSKZDNQVQQBU-AKZRSSKFSA-N -1 1 300.322 0.804 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H](O)C(F)(F)F)n1 ZINC001591895866 1167412592 /nfs/dbraw/zinc/41/25/92/1167412592.db2.gz WGIMOUJQEMYFQN-ZETCQYMHSA-N -1 1 303.248 0.690 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H](O)C(F)(F)F)n1 ZINC001591895866 1167412595 /nfs/dbraw/zinc/41/25/95/1167412595.db2.gz WGIMOUJQEMYFQN-ZETCQYMHSA-N -1 1 303.248 0.690 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCO[C@]3(CCOC3)C2)n1 ZINC001591893859 1167413420 /nfs/dbraw/zinc/41/34/20/1167413420.db2.gz UFTSVJFRNPQUIX-IINYFYTJSA-N -1 1 317.353 0.715 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCO[C@]3(CCOC3)C2)n1 ZINC001591893859 1167413426 /nfs/dbraw/zinc/41/34/26/1167413426.db2.gz UFTSVJFRNPQUIX-IINYFYTJSA-N -1 1 317.353 0.715 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC23OCCO3)n1 ZINC001591892870 1167413893 /nfs/dbraw/zinc/41/38/93/1167413893.db2.gz UDZWTCUXQLSMAE-SNVBAGLBSA-N -1 1 303.326 0.673 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC23OCCO3)n1 ZINC001591892870 1167413895 /nfs/dbraw/zinc/41/38/95/1167413895.db2.gz UDZWTCUXQLSMAE-SNVBAGLBSA-N -1 1 303.326 0.673 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](O)COCC2CC2)n1 ZINC001591895851 1167414182 /nfs/dbraw/zinc/41/41/82/1167414182.db2.gz KHNPMFNGVBYYEN-SNVBAGLBSA-N -1 1 305.342 0.165 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](O)COCC2CC2)n1 ZINC001591895851 1167414184 /nfs/dbraw/zinc/41/41/84/1167414184.db2.gz KHNPMFNGVBYYEN-SNVBAGLBSA-N -1 1 305.342 0.165 20 0 DCADMM Cc1cc(=O)c(COC(=O)c2ccc(-c3nn[nH]n3)o2)n[n-]1 ZINC001591903496 1167416015 /nfs/dbraw/zinc/41/60/15/1167416015.db2.gz RBEOHLHGJVAXMV-UHFFFAOYSA-N -1 1 302.250 0.621 20 0 DCADMM Cc1cc(N[C@H]2CCc3c(nnn3C)C2)cc(-c2nnn[n-]2)n1 ZINC001592038960 1167440772 /nfs/dbraw/zinc/44/07/72/1167440772.db2.gz GPWRCYAIHKKIID-VIFPVBQESA-N -1 1 311.353 0.090 20 0 DCADMM Cc1cc(N[C@H]2CCc3c(nnn3C)C2)cc(-c2nn[n-]n2)n1 ZINC001592038960 1167440779 /nfs/dbraw/zinc/44/07/79/1167440779.db2.gz GPWRCYAIHKKIID-VIFPVBQESA-N -1 1 311.353 0.090 20 0 DCADMM Cc1cc(N[C@H]2CC(=O)N(C(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001592036296 1167440950 /nfs/dbraw/zinc/44/09/50/1167440950.db2.gz PWDFEFPZXDXLHW-NSHDSACASA-N -1 1 301.354 0.413 20 0 DCADMM Cc1cc(N[C@H]2CC(=O)N(C(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001592036296 1167440955 /nfs/dbraw/zinc/44/09/55/1167440955.db2.gz PWDFEFPZXDXLHW-NSHDSACASA-N -1 1 301.354 0.413 20 0 DCADMM Cc1cc(N[C@H]2CCc3nnn(C)c3C2)cc(-c2nnn[n-]2)n1 ZINC001592040144 1167444022 /nfs/dbraw/zinc/44/40/22/1167444022.db2.gz QUTDLTCIIGGKSZ-VIFPVBQESA-N -1 1 311.353 0.090 20 0 DCADMM Cc1cc(N[C@H]2CCc3nnn(C)c3C2)cc(-c2nn[n-]n2)n1 ZINC001592040144 1167444026 /nfs/dbraw/zinc/44/40/26/1167444026.db2.gz QUTDLTCIIGGKSZ-VIFPVBQESA-N -1 1 311.353 0.090 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@H](C(=O)C2CC2)C1 ZINC001592114085 1167457755 /nfs/dbraw/zinc/45/77/55/1167457755.db2.gz NSDBBPKVBCCBPE-LBPRGKRZSA-N -1 1 314.349 0.754 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@H](C(=O)C2CC2)C1 ZINC001592114085 1167457764 /nfs/dbraw/zinc/45/77/64/1167457764.db2.gz NSDBBPKVBCCBPE-LBPRGKRZSA-N -1 1 314.349 0.754 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(c2cccnn2)CC1 ZINC001592112861 1167458086 /nfs/dbraw/zinc/45/80/86/1167458086.db2.gz AKBAAZNGUJGOKF-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](O)c1ccnn1C ZINC001592114050 1167458270 /nfs/dbraw/zinc/45/82/70/1167458270.db2.gz MVQNWWRMJQTULI-NSHDSACASA-N -1 1 300.326 0.449 20 0 DCADMM Cc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)n1 ZINC001592176107 1167469657 /nfs/dbraw/zinc/46/96/57/1167469657.db2.gz VYHMSODWLQSMCV-SNVBAGLBSA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)n1 ZINC001592176107 1167469660 /nfs/dbraw/zinc/46/96/60/1167469660.db2.gz VYHMSODWLQSMCV-SNVBAGLBSA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(N2CCCC3(C2)OCCO3)nc1-c1nnn[n-]1 ZINC001592175975 1167470734 /nfs/dbraw/zinc/47/07/34/1167470734.db2.gz HSWOBZIGYYGQBJ-UHFFFAOYSA-N -1 1 302.338 0.913 20 0 DCADMM Cc1ccc(N2CCCC3(C2)OCCO3)nc1-c1nn[n-]n1 ZINC001592175975 1167470739 /nfs/dbraw/zinc/47/07/39/1167470739.db2.gz HSWOBZIGYYGQBJ-UHFFFAOYSA-N -1 1 302.338 0.913 20 0 DCADMM Cc1ccc(N2CCCC3(C2)OCCO3)c(-c2nnn[n-]2)n1 ZINC001592176339 1167471603 /nfs/dbraw/zinc/47/16/03/1167471603.db2.gz KBOQGTPWFVZKDQ-UHFFFAOYSA-N -1 1 302.338 0.913 20 0 DCADMM Cc1ccc(N2CCCC3(C2)OCCO3)c(-c2nn[n-]n2)n1 ZINC001592176339 1167471605 /nfs/dbraw/zinc/47/16/05/1167471605.db2.gz KBOQGTPWFVZKDQ-UHFFFAOYSA-N -1 1 302.338 0.913 20 0 DCADMM Cc1ccc2nnc(CNc3nccnc3-c3nnn[n-]3)n2c1 ZINC001592211464 1167475345 /nfs/dbraw/zinc/47/53/45/1167475345.db2.gz BKGWZJBJQLYUCN-UHFFFAOYSA-N -1 1 308.309 0.620 20 0 DCADMM Cc1ccc2nnc(CNc3nccnc3-c3nn[n-]n3)n2c1 ZINC001592211464 1167475348 /nfs/dbraw/zinc/47/53/48/1167475348.db2.gz BKGWZJBJQLYUCN-UHFFFAOYSA-N -1 1 308.309 0.620 20 0 DCADMM Cc1cccc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1F ZINC001592220781 1167475382 /nfs/dbraw/zinc/47/53/82/1167475382.db2.gz NFNROLQRICDVKR-UHFFFAOYSA-N -1 1 316.300 0.336 20 0 DCADMM Cc1ccn(CC(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)n1 ZINC001592265250 1167479807 /nfs/dbraw/zinc/47/98/07/1167479807.db2.gz JJJAQHZCFUQSFN-UHFFFAOYSA-N -1 1 301.314 0.052 20 0 DCADMM Cc1ccn(CC(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)n1 ZINC001592265250 1167479809 /nfs/dbraw/zinc/47/98/09/1167479809.db2.gz JJJAQHZCFUQSFN-UHFFFAOYSA-N -1 1 301.314 0.052 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)NCC(F)(F)F)c1C ZINC001592340142 1167496308 /nfs/dbraw/zinc/49/63/08/1167496308.db2.gz WDYVABAQVMZUHC-UHFFFAOYSA-N -1 1 303.248 0.359 20 0 DCADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)NCC(F)(F)F)c1C ZINC001592340142 1167496314 /nfs/dbraw/zinc/49/63/14/1167496314.db2.gz WDYVABAQVMZUHC-UHFFFAOYSA-N -1 1 303.248 0.359 20 0 DCADMM Cc1nc([C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)o3)C2)no1 ZINC001592357909 1167505184 /nfs/dbraw/zinc/50/51/84/1167505184.db2.gz IRBRLSBQGRKLTP-QMMMGPOBSA-N -1 1 315.293 0.781 20 0 DCADMM Cc1nc([C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)o3)C2)no1 ZINC001592357909 1167505190 /nfs/dbraw/zinc/50/51/90/1167505190.db2.gz IRBRLSBQGRKLTP-QMMMGPOBSA-N -1 1 315.293 0.781 20 0 DCADMM Cc1nc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)no1 ZINC001592362124 1167505460 /nfs/dbraw/zinc/50/54/60/1167505460.db2.gz BLZRCCKSOPFMCU-UHFFFAOYSA-N -1 1 303.257 0.627 20 0 DCADMM Cc1nc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)no1 ZINC001592362124 1167505467 /nfs/dbraw/zinc/50/54/67/1167505467.db2.gz BLZRCCKSOPFMCU-UHFFFAOYSA-N -1 1 303.257 0.627 20 0 DCADMM Cc1nc2c(nccc2C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)[nH]1 ZINC001592400156 1167511938 /nfs/dbraw/zinc/51/19/38/1167511938.db2.gz APIMKHZZJFHFHQ-UHFFFAOYSA-N -1 1 324.308 0.730 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](O)CNc1ncncc1-c1nn[n-]n1 ZINC001592427700 1167519301 /nfs/dbraw/zinc/51/93/01/1167519301.db2.gz NQHDQGYFPYCPHL-SNVBAGLBSA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nn(C)c(C)c1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001592428670 1167520720 /nfs/dbraw/zinc/52/07/20/1167520720.db2.gz LTHKXYBFBYSKGT-UHFFFAOYSA-N -1 1 315.341 0.511 20 0 DCADMM Cc1nn(C)c(C)c1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001592428670 1167520729 /nfs/dbraw/zinc/52/07/29/1167520729.db2.gz LTHKXYBFBYSKGT-UHFFFAOYSA-N -1 1 315.341 0.511 20 0 DCADMM Cc1nn(Cc2ccc3nonc3c2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438339 1167521670 /nfs/dbraw/zinc/52/16/70/1167521670.db2.gz YJIVDNHNZHDWHB-UHFFFAOYSA-N -1 1 324.304 0.625 20 0 DCADMM Cc1nsc(N2CC(N3CCCC3=O)C2)c1-c1nn[n-]n1 ZINC001592472048 1167531197 /nfs/dbraw/zinc/53/11/97/1167531197.db2.gz MXIPLWAABBLPKG-UHFFFAOYSA-N -1 1 305.367 0.443 20 0 DCADMM Cc1nsc(N(C)C(=O)c2ccnn2C)c1-c1nnn[n-]1 ZINC001592468016 1167531975 /nfs/dbraw/zinc/53/19/75/1167531975.db2.gz WOGLGRAJYMJFKW-UHFFFAOYSA-N -1 1 304.339 0.642 20 0 DCADMM Cc1nsc(N(C)C(=O)c2ccnn2C)c1-c1nn[n-]n1 ZINC001592468016 1167531978 /nfs/dbraw/zinc/53/19/78/1167531978.db2.gz WOGLGRAJYMJFKW-UHFFFAOYSA-N -1 1 304.339 0.642 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](CO)CC2CC2)c1-c1nnn[n-]1 ZINC001592480713 1167534689 /nfs/dbraw/zinc/53/46/89/1167534689.db2.gz RGQXEETVUNPAEB-MRVPVSSYSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](CO)CC2CC2)c1-c1nn[n-]n1 ZINC001592480713 1167534694 /nfs/dbraw/zinc/53/46/94/1167534694.db2.gz RGQXEETVUNPAEB-MRVPVSSYSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC[C@]2(CCO)CCOC2)c1-c1nn[n-]n1 ZINC001592488213 1167537431 /nfs/dbraw/zinc/53/74/31/1167537431.db2.gz YDNCAHIYZQUFHV-LBPRGKRZSA-N -1 1 310.383 0.833 20 0 DCADMM Cc1nsc(NC(=O)NCc2nncn2C)c1-c1nnn[n-]1 ZINC001592483932 1167537561 /nfs/dbraw/zinc/53/75/61/1167537561.db2.gz QZBZQDKIYRLHEO-UHFFFAOYSA-N -1 1 320.342 0.082 20 0 DCADMM Cc1nsc(NC(=O)NCc2nncn2C)c1-c1nn[n-]n1 ZINC001592483932 1167537568 /nfs/dbraw/zinc/53/75/68/1167537568.db2.gz QZBZQDKIYRLHEO-UHFFFAOYSA-N -1 1 320.342 0.082 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2CO[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592481766 1167538169 /nfs/dbraw/zinc/53/81/69/1167538169.db2.gz VTUZIHOURSHHID-CAHLUQPWSA-N -1 1 309.355 0.931 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2CO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592481766 1167538174 /nfs/dbraw/zinc/53/81/74/1167538174.db2.gz VTUZIHOURSHHID-CAHLUQPWSA-N -1 1 309.355 0.931 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nnn(C(C)C)n1 ZINC001592501979 1167540758 /nfs/dbraw/zinc/54/07/58/1167540758.db2.gz OSXBEXKAUVCRIM-UHFFFAOYSA-N -1 1 303.286 0.588 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nnn(C(C)C)n1 ZINC001592501979 1167540759 /nfs/dbraw/zinc/54/07/59/1167540759.db2.gz OSXBEXKAUVCRIM-UHFFFAOYSA-N -1 1 303.286 0.588 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCNC(=O)CC1 ZINC001592502629 1167541070 /nfs/dbraw/zinc/54/10/70/1167541070.db2.gz ORTPZJRVDOOYBO-MRVPVSSYSA-N -1 1 304.310 0.167 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCNC(=O)CC1 ZINC001592502629 1167541076 /nfs/dbraw/zinc/54/10/76/1167541076.db2.gz ORTPZJRVDOOYBO-MRVPVSSYSA-N -1 1 304.310 0.167 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@]1(CCO)CCOC1 ZINC001592500116 1167542721 /nfs/dbraw/zinc/54/27/21/1167542721.db2.gz UQCARPJKPVCHKE-CYBMUJFWSA-N -1 1 307.310 0.039 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@]1(CCO)CCOC1 ZINC001592500116 1167542726 /nfs/dbraw/zinc/54/27/26/1167542726.db2.gz UQCARPJKPVCHKE-CYBMUJFWSA-N -1 1 307.310 0.039 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001592503398 1167543737 /nfs/dbraw/zinc/54/37/37/1167543737.db2.gz TZTXGFVDHMKWFT-VIFPVBQESA-N -1 1 313.321 0.779 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001592503398 1167543743 /nfs/dbraw/zinc/54/37/43/1167543743.db2.gz TZTXGFVDHMKWFT-VIFPVBQESA-N -1 1 313.321 0.779 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H]2C(F)F)c1-c1nnn[n-]1 ZINC001592515569 1167543893 /nfs/dbraw/zinc/54/38/93/1167543893.db2.gz HKDFUDMDDPIPKK-QMMMGPOBSA-N -1 1 312.280 0.962 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H]2C(F)F)c1-c1nn[n-]n1 ZINC001592515569 1167543899 /nfs/dbraw/zinc/54/38/99/1167543899.db2.gz HKDFUDMDDPIPKK-QMMMGPOBSA-N -1 1 312.280 0.962 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H](C)[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001592515307 1167545308 /nfs/dbraw/zinc/54/53/08/1167545308.db2.gz CLPVRNMQLYMKGW-WPRPVWTQSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H](C)[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001592515307 1167545313 /nfs/dbraw/zinc/54/53/13/1167545313.db2.gz CLPVRNMQLYMKGW-WPRPVWTQSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@]2(C)CO)c1-c1nnn[n-]1 ZINC001592515605 1167545390 /nfs/dbraw/zinc/54/53/90/1167545390.db2.gz INJUCEMRBAZIKF-CYBMUJFWSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@]2(C)CO)c1-c1nn[n-]n1 ZINC001592515605 1167545398 /nfs/dbraw/zinc/54/53/98/1167545398.db2.gz INJUCEMRBAZIKF-CYBMUJFWSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N2CCc3n[nH]cc3C2)c1-c1nn[n-]n1 ZINC001592516083 1167546321 /nfs/dbraw/zinc/54/63/21/1167546321.db2.gz YUTGOQXPIJCWKY-UHFFFAOYSA-N -1 1 314.309 0.014 20 0 DCADMM Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCCOCC1 ZINC001592544482 1167549043 /nfs/dbraw/zinc/54/90/43/1167549043.db2.gz XNEQZQKSFRXRKN-UHFFFAOYSA-N -1 1 316.325 0.482 20 0 DCADMM Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCCOCC1 ZINC001592544482 1167549048 /nfs/dbraw/zinc/54/90/48/1167549048.db2.gz XNEQZQKSFRXRKN-UHFFFAOYSA-N -1 1 316.325 0.482 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(-c2nn[n-]n2)c1=O ZINC001592546240 1167550708 /nfs/dbraw/zinc/55/07/08/1167550708.db2.gz LJLAALXHNVWPGK-BWZBUEFSSA-N -1 1 303.326 0.267 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)n1 ZINC001592559824 1167559836 /nfs/dbraw/zinc/55/98/36/1167559836.db2.gz KUKCVYRLYGFFSM-QXFUBDJGSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)n1 ZINC001592559824 1167559841 /nfs/dbraw/zinc/55/98/41/1167559841.db2.gz KUKCVYRLYGFFSM-QXFUBDJGSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2COC[C@H]2C2CC2)n1 ZINC001592560108 1167560647 /nfs/dbraw/zinc/56/06/47/1167560647.db2.gz YJVHWCHDDNACSN-VHSXEESVSA-N -1 1 318.341 0.147 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2COC[C@H]2C2CC2)n1 ZINC001592560108 1167560651 /nfs/dbraw/zinc/56/06/51/1167560651.db2.gz YJVHWCHDDNACSN-VHSXEESVSA-N -1 1 318.341 0.147 20 0 DCADMM FC(F)(F)CNC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592614826 1167586006 /nfs/dbraw/zinc/58/60/06/1167586006.db2.gz UTNGUAMTCWAJSW-UHFFFAOYSA-N -1 1 314.275 0.173 20 0 DCADMM Fc1cccc(-c2nnc(Cn3cc(-c4nn[n-]n4)nn3)o2)c1 ZINC001592654768 1167589974 /nfs/dbraw/zinc/58/99/74/1167589974.db2.gz MBHAUBNDNIRMMQ-UHFFFAOYSA-N -1 1 313.256 0.696 20 0 DCADMM NC(=O)[C@@H](C1CC1)N(CC1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001592714261 1167609517 /nfs/dbraw/zinc/60/95/17/1167609517.db2.gz MDNNUEWVHVTDDH-LLVKDONJSA-N -1 1 314.353 0.137 20 0 DCADMM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592719606 1167611701 /nfs/dbraw/zinc/61/17/01/1167611701.db2.gz FVAATFUNVVCBLS-YUMQZZPRSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592719606 1167611705 /nfs/dbraw/zinc/61/17/05/1167611705.db2.gz FVAATFUNVVCBLS-YUMQZZPRSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592721811 1167614597 /nfs/dbraw/zinc/61/45/97/1167614597.db2.gz VBOPBDWXNVZJOF-RKDXNWHRSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592721811 1167614600 /nfs/dbraw/zinc/61/46/00/1167614600.db2.gz VBOPBDWXNVZJOF-RKDXNWHRSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)c1c[nH]nc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592737840 1167623499 /nfs/dbraw/zinc/62/34/99/1167623499.db2.gz PYPSKOLLQZZYRK-UHFFFAOYSA-N -1 1 304.295 0.003 20 0 DCADMM NC(=O)c1c[nH]nc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592737840 1167623502 /nfs/dbraw/zinc/62/35/02/1167623502.db2.gz PYPSKOLLQZZYRK-UHFFFAOYSA-N -1 1 304.295 0.003 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccnc1C(F)F ZINC001592752945 1167630999 /nfs/dbraw/zinc/63/09/99/1167630999.db2.gz IQBAMIVMJYSLDJ-UHFFFAOYSA-N -1 1 306.236 0.667 20 0 DCADMM Nc1cc(C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)[nH]n1 ZINC001592758414 1167635724 /nfs/dbraw/zinc/63/57/24/1167635724.db2.gz DCVQFKBMMMOWMC-UHFFFAOYSA-N -1 1 312.341 0.346 20 0 DCADMM Nc1cc(C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)[nH]n1 ZINC001592758414 1167635727 /nfs/dbraw/zinc/63/57/27/1167635727.db2.gz DCVQFKBMMMOWMC-UHFFFAOYSA-N -1 1 312.341 0.346 20 0 DCADMM Nc1nc2c(s1)CN(c1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001592762905 1167637629 /nfs/dbraw/zinc/63/76/29/1167637629.db2.gz RDAYHAQTTRFXHZ-UHFFFAOYSA-N -1 1 300.351 0.863 20 0 DCADMM Nc1nc2c(s1)CN(c1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001592762905 1167637632 /nfs/dbraw/zinc/63/76/32/1167637632.db2.gz RDAYHAQTTRFXHZ-UHFFFAOYSA-N -1 1 300.351 0.863 20 0 DCADMM Nc1ncc2c(n1)CN(C(=O)c1coc(-c3nnn[n-]3)c1)CC2 ZINC001592763241 1167638590 /nfs/dbraw/zinc/63/85/90/1167638590.db2.gz UYFXDWDVENDUCQ-UHFFFAOYSA-N -1 1 312.293 0.030 20 0 DCADMM Nc1ncc2c(n1)CN(C(=O)c1coc(-c3nn[n-]n3)c1)CC2 ZINC001592763241 1167638595 /nfs/dbraw/zinc/63/85/95/1167638595.db2.gz UYFXDWDVENDUCQ-UHFFFAOYSA-N -1 1 312.293 0.030 20 0 DCADMM O=C(CCCF)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592836294 1167646965 /nfs/dbraw/zinc/64/69/65/1167646965.db2.gz HCJBXVGHCVPHPV-OWOJBTEDSA-N -1 1 320.332 0.491 20 0 DCADMM O=C(CCCF)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592836294 1167646967 /nfs/dbraw/zinc/64/69/67/1167646967.db2.gz HCJBXVGHCVPHPV-OWOJBTEDSA-N -1 1 320.332 0.491 20 0 DCADMM O=C(CN1CCCCCC1=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592866736 1167651641 /nfs/dbraw/zinc/65/16/41/1167651641.db2.gz DGXIZLZREZEQPS-UHFFFAOYSA-N -1 1 315.337 0.603 20 0 DCADMM O=C(CN1CCCCCC1=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592866736 1167651642 /nfs/dbraw/zinc/65/16/42/1167651642.db2.gz DGXIZLZREZEQPS-UHFFFAOYSA-N -1 1 315.337 0.603 20 0 DCADMM O=C(CNc1nc(-c2nn[n-]n2)c(Cl)s1)NCC(F)F ZINC001592878892 1167656503 /nfs/dbraw/zinc/65/65/03/1167656503.db2.gz VWAKIOLPXPAMNS-UHFFFAOYSA-N -1 1 323.716 0.770 20 0 DCADMM O=C(COC[C@H]1CCCO1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592887506 1167657270 /nfs/dbraw/zinc/65/72/70/1167657270.db2.gz OCTKXAVMQNJPDT-MRVPVSSYSA-N -1 1 324.366 0.135 20 0 DCADMM O=C(COC[C@H]1CCCO1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592887506 1167657274 /nfs/dbraw/zinc/65/72/74/1167657274.db2.gz OCTKXAVMQNJPDT-MRVPVSSYSA-N -1 1 324.366 0.135 20 0 DCADMM O=C(CO[C@H]1CCOC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592886389 1167657639 /nfs/dbraw/zinc/65/76/39/1167657639.db2.gz MDJFGLXFXMDVJU-JTQLQIEISA-N -1 1 305.294 0.110 20 0 DCADMM O=C(CO[C@H]1CCOC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592886389 1167657644 /nfs/dbraw/zinc/65/76/44/1167657644.db2.gz MDJFGLXFXMDVJU-JTQLQIEISA-N -1 1 305.294 0.110 20 0 DCADMM O=C(COC1CC1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592886124 1167657671 /nfs/dbraw/zinc/65/76/71/1167657671.db2.gz VNNJSJSWKDRQMV-UHFFFAOYSA-N -1 1 309.276 0.940 20 0 DCADMM O=C(COC1CC1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592886124 1167657674 /nfs/dbraw/zinc/65/76/74/1167657674.db2.gz VNNJSJSWKDRQMV-UHFFFAOYSA-N -1 1 309.276 0.940 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCc1nccs1 ZINC001592913570 1167662779 /nfs/dbraw/zinc/66/27/79/1167662779.db2.gz BOKJDVDFLLLASI-UHFFFAOYSA-N -1 1 315.362 0.620 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCc1nccs1 ZINC001592913570 1167662784 /nfs/dbraw/zinc/66/27/84/1167662784.db2.gz BOKJDVDFLLLASI-UHFFFAOYSA-N -1 1 315.362 0.620 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1CCO ZINC001592913706 1167663898 /nfs/dbraw/zinc/66/38/98/1167663898.db2.gz OHDRRFLMIIHNSQ-NSHDSACASA-N -1 1 302.338 0.178 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1CCO ZINC001592913706 1167663901 /nfs/dbraw/zinc/66/39/01/1167663901.db2.gz OHDRRFLMIIHNSQ-NSHDSACASA-N -1 1 302.338 0.178 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@@H]1CCC[C@H](O)C1 ZINC001592915019 1167665440 /nfs/dbraw/zinc/66/54/40/1167665440.db2.gz OXECEGREYXCNSU-NEPJUHHUSA-N -1 1 317.349 0.899 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@@H]1CCC[C@H](O)C1 ZINC001592915019 1167665445 /nfs/dbraw/zinc/66/54/45/1167665445.db2.gz OXECEGREYXCNSU-NEPJUHHUSA-N -1 1 317.349 0.899 20 0 DCADMM O=C(Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)N1CCCC1 ZINC001592937641 1167667333 /nfs/dbraw/zinc/66/73/33/1167667333.db2.gz IYMSDJGSBSZXKD-UHFFFAOYSA-N -1 1 314.349 0.140 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Cl)s1 ZINC001592940911 1167670113 /nfs/dbraw/zinc/67/01/13/1167670113.db2.gz IQERCDDXNVFJIR-UHFFFAOYSA-N -1 1 324.757 0.490 20 0 DCADMM O=C(N[C@@H](c1ncon1)C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001592955483 1167674745 /nfs/dbraw/zinc/67/47/45/1167674745.db2.gz RSODGGHKHAPADE-SNVBAGLBSA-N -1 1 312.293 0.526 20 0 DCADMM O=C(N[C@@H](c1ncon1)C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001592955483 1167674749 /nfs/dbraw/zinc/67/47/49/1167674749.db2.gz RSODGGHKHAPADE-SNVBAGLBSA-N -1 1 312.293 0.526 20 0 DCADMM O=C(N[C@@H]1CCn2cncc21)c1ccc(-c2nn[n-]n2)s1 ZINC001592997101 1167682048 /nfs/dbraw/zinc/68/20/48/1167682048.db2.gz RQLVDVDUEVBAKV-SSDOTTSWSA-N -1 1 301.335 1.000 20 0 DCADMM O=C(NCCC1(CO)CC1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001593058854 1167694707 /nfs/dbraw/zinc/69/47/07/1167694707.db2.gz AGZRBFRZWMQNRH-UHFFFAOYSA-N -1 1 323.382 0.285 20 0 DCADMM O=C(NCCC1(CO)CC1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001593058854 1167694714 /nfs/dbraw/zinc/69/47/14/1167694714.db2.gz AGZRBFRZWMQNRH-UHFFFAOYSA-N -1 1 323.382 0.285 20 0 DCADMM O=C(NCCCOC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001593077009 1167699791 /nfs/dbraw/zinc/69/97/91/1167699791.db2.gz MJEAVENONYSFNN-SNVBAGLBSA-N -1 1 321.337 0.775 20 0 DCADMM O=C(NCCCOC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001593077009 1167699794 /nfs/dbraw/zinc/69/97/94/1167699794.db2.gz MJEAVENONYSFNN-SNVBAGLBSA-N -1 1 321.337 0.775 20 0 DCADMM O=C(NCCNc1cnc(-c2nnn[n-]2)cn1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593091424 1167705579 /nfs/dbraw/zinc/70/55/79/1167705579.db2.gz ZOVVZBXDSJOZIY-MYJAWHEDSA-N -1 1 314.353 0.231 20 0 DCADMM O=C(NCCNc1cnc(-c2nn[n-]n2)cn1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593091424 1167705585 /nfs/dbraw/zinc/70/55/85/1167705585.db2.gz ZOVVZBXDSJOZIY-MYJAWHEDSA-N -1 1 314.353 0.231 20 0 DCADMM O=C(NCCNc1cnc(-c2nnn[n-]2)cn1)c1ccoc1 ZINC001593091073 1167706099 /nfs/dbraw/zinc/70/60/99/1167706099.db2.gz UNUDWBKPACFGLO-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCNc1cnc(-c2nn[n-]n2)cn1)c1ccoc1 ZINC001593091073 1167706104 /nfs/dbraw/zinc/70/61/04/1167706104.db2.gz UNUDWBKPACFGLO-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCOC[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC001593097589 1167710186 /nfs/dbraw/zinc/71/01/86/1167710186.db2.gz ZMXLQTHLNPHMAX-SNVBAGLBSA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCOC[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC001593097589 1167710192 /nfs/dbraw/zinc/71/01/92/1167710192.db2.gz ZMXLQTHLNPHMAX-SNVBAGLBSA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCc1ccon1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593108423 1167711711 /nfs/dbraw/zinc/71/17/11/1167711711.db2.gz VRFSKIKJAAWMJV-UHFFFAOYSA-N -1 1 302.269 0.966 20 0 DCADMM O=C(NCCc1ccon1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593108423 1167711715 /nfs/dbraw/zinc/71/17/15/1167711715.db2.gz VRFSKIKJAAWMJV-UHFFFAOYSA-N -1 1 302.269 0.966 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001593109996 1167713282 /nfs/dbraw/zinc/71/32/82/1167713282.db2.gz QNBFECYQOHMWKL-MYJAWHEDSA-N -1 1 302.342 0.011 20 0 DCADMM O=C(NC[C@H](O)Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593114473 1167716381 /nfs/dbraw/zinc/71/63/81/1167716381.db2.gz YDAKFWMDFPRJTG-GFCCVEGCSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(NC[C@H](O)Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593114473 1167716389 /nfs/dbraw/zinc/71/63/89/1167716389.db2.gz YDAKFWMDFPRJTG-GFCCVEGCSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc(-n2ccnn2)c1 ZINC001593199974 1167734716 /nfs/dbraw/zinc/73/47/16/1167734716.db2.gz WRXUADPJCNCQEC-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc(-n2ccnn2)c1 ZINC001593199974 1167734724 /nfs/dbraw/zinc/73/47/24/1167734724.db2.gz WRXUADPJCNCQEC-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001593202635 1167738112 /nfs/dbraw/zinc/73/81/12/1167738112.db2.gz KZALQMOPLJVIKE-BGYSENGCSA-N -1 1 313.317 0.934 20 0 DCADMM O=C(Nc1ccn(CC(F)F)n1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593253572 1167744978 /nfs/dbraw/zinc/74/49/78/1167744978.db2.gz BIXRJQQOGUDKNR-UHFFFAOYSA-N -1 1 320.263 0.976 20 0 DCADMM O=C(Nc1ccn(CC(F)F)n1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593253572 1167744983 /nfs/dbraw/zinc/74/49/83/1167744983.db2.gz BIXRJQQOGUDKNR-UHFFFAOYSA-N -1 1 320.263 0.976 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1nnc2ccccc2n1 ZINC001593261543 1167745304 /nfs/dbraw/zinc/74/53/04/1167745304.db2.gz WFRICVUQUPWOEQ-UHFFFAOYSA-N -1 1 308.265 0.180 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)C(=O)c1ccc(F)cc1 ZINC001593261188 1167746913 /nfs/dbraw/zinc/74/69/13/1167746913.db2.gz SRBTWBCIEPEZIK-UHFFFAOYSA-N -1 1 301.241 0.550 20 0 DCADMM O=C(OC[C@H]1C[C@@]12CCOC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593284332 1167758943 /nfs/dbraw/zinc/75/89/43/1167758943.db2.gz IKSWGHBARWXOOI-QMTHXVAHSA-N -1 1 301.306 0.845 20 0 DCADMM O=C(OC[C@H]1C[C@@]12CCOC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593284332 1167758951 /nfs/dbraw/zinc/75/89/51/1167758951.db2.gz IKSWGHBARWXOOI-QMTHXVAHSA-N -1 1 301.306 0.845 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@H]2O1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593285888 1167762096 /nfs/dbraw/zinc/76/20/96/1167762096.db2.gz ZJWRTTVAWHMZNG-JBLDHEPKSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@H]2O1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593285888 1167762100 /nfs/dbraw/zinc/76/21/00/1167762100.db2.gz ZJWRTTVAWHMZNG-JBLDHEPKSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)c1cnn(CCF)c1 ZINC001593297611 1167764982 /nfs/dbraw/zinc/76/49/82/1167764982.db2.gz NCQPVJYXIQYJSW-UHFFFAOYSA-N -1 1 306.257 0.983 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)c1cnn(CCF)c1 ZINC001593297611 1167764986 /nfs/dbraw/zinc/76/49/86/1167764986.db2.gz NCQPVJYXIQYJSW-UHFFFAOYSA-N -1 1 306.257 0.983 20 0 DCADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCOCCN1 ZINC001593315560 1167770451 /nfs/dbraw/zinc/77/04/51/1167770451.db2.gz NHQLVCUIAFUPLQ-UHFFFAOYSA-N -1 1 313.321 0.325 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC([C@H]2CCOC2)C1 ZINC001593359059 1167784691 /nfs/dbraw/zinc/78/46/91/1167784691.db2.gz VIJLDQMVCIHRPB-JTQLQIEISA-N -1 1 300.322 0.370 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC([C@H]2CCOC2)C1 ZINC001593359059 1167784696 /nfs/dbraw/zinc/78/46/96/1167784696.db2.gz VIJLDQMVCIHRPB-JTQLQIEISA-N -1 1 300.322 0.370 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001593349043 1167784850 /nfs/dbraw/zinc/78/48/50/1167784850.db2.gz XDPPYWPKOIYSKW-ZWNOBZJWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001593349043 1167784856 /nfs/dbraw/zinc/78/48/56/1167784856.db2.gz XDPPYWPKOIYSKW-ZWNOBZJWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ncon1 ZINC001593359080 1167785357 /nfs/dbraw/zinc/78/53/57/1167785357.db2.gz VVSNUAFIBQTIHB-SNVBAGLBSA-N -1 1 312.293 0.622 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ncon1 ZINC001593359080 1167785362 /nfs/dbraw/zinc/78/53/62/1167785362.db2.gz VVSNUAFIBQTIHB-SNVBAGLBSA-N -1 1 312.293 0.622 20 0 DCADMM O=C1C[C@@H]([C@@H]2CCCCN2c2cc(-c3nnn[n-]3)ncn2)CN1 ZINC001593383521 1167793833 /nfs/dbraw/zinc/79/38/33/1167793833.db2.gz XOXQUVQYMYHYMM-KOLCDFICSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1C[C@@H]([C@@H]2CCCCN2c2cc(-c3nn[n-]n3)ncn2)CN1 ZINC001593383521 1167793841 /nfs/dbraw/zinc/79/38/41/1167793841.db2.gz XOXQUVQYMYHYMM-KOLCDFICSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1[C@H](Nc2ncncc2-c2nn[n-]n2)CN1c1ccccc1 ZINC001593379004 1167794220 /nfs/dbraw/zinc/79/42/20/1167794220.db2.gz VJEGZVCFKNFZHE-LLVKDONJSA-N -1 1 308.305 0.484 20 0 DCADMM O=C1C[C@@H](Oc2ccc(Nc3ccnc(-c4nnn[n-]4)c3)cc2)N1 ZINC001593383612 1167795559 /nfs/dbraw/zinc/79/55/59/1167795559.db2.gz APZJEMXNGQWZQG-CQSZACIVSA-N -1 1 323.316 0.652 20 0 DCADMM O=C1C[C@@H](Oc2ccc(Nc3ccnc(-c4nn[n-]n4)c3)cc2)N1 ZINC001593383612 1167795564 /nfs/dbraw/zinc/79/55/64/1167795564.db2.gz APZJEMXNGQWZQG-CQSZACIVSA-N -1 1 323.316 0.652 20 0 DCADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1CCNC(=O)CC1 ZINC001593387260 1167797266 /nfs/dbraw/zinc/79/72/66/1167797266.db2.gz AEHRQQAEWAMKGT-MRVPVSSYSA-N -1 1 305.294 0.419 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1CCNC(=O)CC1 ZINC001593387260 1167797276 /nfs/dbraw/zinc/79/72/76/1167797276.db2.gz AEHRQQAEWAMKGT-MRVPVSSYSA-N -1 1 305.294 0.419 20 0 DCADMM O=C1C[C@H](CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1 ZINC001593386688 1167797717 /nfs/dbraw/zinc/79/77/17/1167797717.db2.gz XVRCZFYHRVTERY-ZETCQYMHSA-N -1 1 307.745 0.853 20 0 DCADMM O=C1C[C@H](CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1 ZINC001593386688 1167797727 /nfs/dbraw/zinc/79/77/27/1167797727.db2.gz XVRCZFYHRVTERY-ZETCQYMHSA-N -1 1 307.745 0.853 20 0 DCADMM O=C1CCCN1C[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001593392394 1167808133 /nfs/dbraw/zinc/80/81/33/1167808133.db2.gz VDRATISRKOTJBS-SNVBAGLBSA-N -1 1 314.353 0.105 20 0 DCADMM O=C1CCCN1C[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001593392394 1167808145 /nfs/dbraw/zinc/80/81/45/1167808145.db2.gz VDRATISRKOTJBS-SNVBAGLBSA-N -1 1 314.353 0.105 20 0 DCADMM O=C1CN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCN1 ZINC001593399852 1167812246 /nfs/dbraw/zinc/81/22/46/1167812246.db2.gz ZZGSDRVTUYXCDD-UHFFFAOYSA-N -1 1 313.243 0.217 20 0 DCADMM O=C1CN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCN1 ZINC001593399852 1167812253 /nfs/dbraw/zinc/81/22/53/1167812253.db2.gz ZZGSDRVTUYXCDD-UHFFFAOYSA-N -1 1 313.243 0.217 20 0 DCADMM O=C1NC[C@H](Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)O1 ZINC001593406138 1167813897 /nfs/dbraw/zinc/81/38/97/1167813897.db2.gz PTLRTHLGQPQOFF-SECBINFHSA-N -1 1 316.321 0.016 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001593421835 1167832368 /nfs/dbraw/zinc/83/23/68/1167832368.db2.gz HTNNNBQXRHDEIU-CBAPKCEASA-N -1 1 317.280 0.251 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001593421835 1167832379 /nfs/dbraw/zinc/83/23/79/1167832379.db2.gz HTNNNBQXRHDEIU-CBAPKCEASA-N -1 1 317.280 0.251 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)o1)N1C[C@@H]2C[C@H]1CS2 ZINC001593455195 1167850254 /nfs/dbraw/zinc/85/02/54/1167850254.db2.gz UPACILGKEDCECD-BQBZGAKWSA-N -1 1 313.364 0.338 20 0 DCADMM O=c1[nH]c2ccccc2n1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001593489325 1167874281 /nfs/dbraw/zinc/87/42/81/1167874281.db2.gz GAXSOHRNFXZLJN-UHFFFAOYSA-N -1 1 323.320 0.824 20 0 DCADMM O=c1[nH]c2ccccc2n1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001593489325 1167874287 /nfs/dbraw/zinc/87/42/87/1167874287.db2.gz GAXSOHRNFXZLJN-UHFFFAOYSA-N -1 1 323.320 0.824 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@@H]1CCC2(CCC2)CO1 ZINC001593494196 1167875825 /nfs/dbraw/zinc/87/58/25/1167875825.db2.gz JPSQAWZEOMWFFJ-JTQLQIEISA-N -1 1 302.338 0.773 20 0 DCADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CCOCCO ZINC001593495166 1167881333 /nfs/dbraw/zinc/88/13/33/1167881333.db2.gz WSHNGINZEIMGFL-UHFFFAOYSA-N -1 1 301.306 0.191 20 0 DCADMM O[C@@H]([C@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C1)C(F)(F)F ZINC001593498408 1167881855 /nfs/dbraw/zinc/88/18/55/1167881855.db2.gz MVSXEHAFVJQJIJ-RCOVLWMOSA-N -1 1 315.259 0.406 20 0 DCADMM O[C@@H]([C@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C1)C(F)(F)F ZINC001593498408 1167881861 /nfs/dbraw/zinc/88/18/61/1167881861.db2.gz MVSXEHAFVJQJIJ-RCOVLWMOSA-N -1 1 315.259 0.406 20 0 DCADMM O[C@H]([C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001593498614 1167883505 /nfs/dbraw/zinc/88/35/05/1167883505.db2.gz QHUHTORJNVLEJT-IMTBSYHQSA-N -1 1 315.259 0.406 20 0 DCADMM O[C@H]([C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001593498614 1167883510 /nfs/dbraw/zinc/88/35/10/1167883510.db2.gz QHUHTORJNVLEJT-IMTBSYHQSA-N -1 1 315.259 0.406 20 0 DCADMM OC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC001593520491 1167896073 /nfs/dbraw/zinc/89/60/73/1167896073.db2.gz LBHDXPNPYHKDGT-CBAPKCEASA-N -1 1 310.745 0.724 20 0 DCADMM OC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCOC1 ZINC001593520491 1167896076 /nfs/dbraw/zinc/89/60/76/1167896076.db2.gz LBHDXPNPYHKDGT-CBAPKCEASA-N -1 1 310.745 0.724 20 0 DCADMM OC[C@@]1(C(F)(F)F)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001593525375 1167900769 /nfs/dbraw/zinc/90/07/69/1167900769.db2.gz FFHLIBCSUXVROE-SNVBAGLBSA-N -1 1 315.259 0.408 20 0 DCADMM OC[C@@]1(C(F)(F)F)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001593525375 1167900770 /nfs/dbraw/zinc/90/07/70/1167900770.db2.gz FFHLIBCSUXVROE-SNVBAGLBSA-N -1 1 315.259 0.408 20 0 DCADMM OCC1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)COC1 ZINC001593524605 1167901639 /nfs/dbraw/zinc/90/16/39/1167901639.db2.gz WZQSHZHUIBSPKA-UHFFFAOYSA-N -1 1 302.747 0.397 20 0 DCADMM OC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001593526771 1167902937 /nfs/dbraw/zinc/90/29/37/1167902937.db2.gz PATVFOYRFSWNPI-JTQLQIEISA-N -1 1 319.275 0.502 20 0 DCADMM O=c1[nH]ccc2c1CN(Cc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001593541880 1167920131 /nfs/dbraw/zinc/92/01/31/1167920131.db2.gz SZZAJDAWHHIFEM-UHFFFAOYSA-N -1 1 315.362 0.982 20 0 DCADMM O=c1[nH]ccc2c1CN(Cc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001593541880 1167920149 /nfs/dbraw/zinc/92/01/49/1167920149.db2.gz SZZAJDAWHHIFEM-UHFFFAOYSA-N -1 1 315.362 0.982 20 0 DCADMM c1cc(-c2nnn[n-]2)oc1CN1CCOC[C@H]1[C@H]1CCCO1 ZINC001593551721 1167931464 /nfs/dbraw/zinc/93/14/64/1167931464.db2.gz SCXCWYLVASPIKZ-NWDGAFQWSA-N -1 1 305.338 0.840 20 0 DCADMM c1cc(-c2nn[n-]n2)oc1CN1CCOC[C@H]1[C@H]1CCCO1 ZINC001593551721 1167931472 /nfs/dbraw/zinc/93/14/72/1167931472.db2.gz SCXCWYLVASPIKZ-NWDGAFQWSA-N -1 1 305.338 0.840 20 0 DCADMM c1cc(-c2nn[n-]n2)sc1Cn1nnnc1C1CCOCC1 ZINC001593551685 1167932456 /nfs/dbraw/zinc/93/24/56/1167932456.db2.gz QLUCLEFLVHTSLX-UHFFFAOYSA-N -1 1 318.366 0.857 20 0 DCADMM c1cc(N2CCO[C@]3(CCSC3)C2)nnc1-c1nnn[n-]1 ZINC001593558930 1167934577 /nfs/dbraw/zinc/93/45/77/1167934577.db2.gz PCUXIMISQGCADZ-GFCCVEGCSA-N -1 1 305.367 0.369 20 0 DCADMM c1cc(N2CCO[C@]3(CCSC3)C2)nnc1-c1nn[n-]n1 ZINC001593558930 1167934580 /nfs/dbraw/zinc/93/45/80/1167934580.db2.gz PCUXIMISQGCADZ-GFCCVEGCSA-N -1 1 305.367 0.369 20 0 DCADMM c1ccn2c(c1)nnc2CCNc1ncncc1-c1nn[n-]n1 ZINC001593582485 1167950396 /nfs/dbraw/zinc/95/03/96/1167950396.db2.gz QOCUCLJYUCHWOW-UHFFFAOYSA-N -1 1 308.309 0.354 20 0 DCADMM c1c(CCNc2cc(-c3nnn[n-]3)ncn2)nc2ccccn12 ZINC001593582390 1167950784 /nfs/dbraw/zinc/95/07/84/1167950784.db2.gz PDVHICPLAUENTC-UHFFFAOYSA-N -1 1 307.321 0.959 20 0 DCADMM c1c(CCNc2cc(-c3nn[n-]n3)ncn2)nc2ccccn12 ZINC001593582390 1167950787 /nfs/dbraw/zinc/95/07/87/1167950787.db2.gz PDVHICPLAUENTC-UHFFFAOYSA-N -1 1 307.321 0.959 20 0 DCADMM c1cnn(-c2ncccc2CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001593584160 1167950814 /nfs/dbraw/zinc/95/08/14/1167950814.db2.gz IBCWQZCVCWYBTP-UHFFFAOYSA-N -1 1 319.332 0.876 20 0 DCADMM c1cnn(-c2ncccc2CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001593584160 1167950817 /nfs/dbraw/zinc/95/08/17/1167950817.db2.gz IBCWQZCVCWYBTP-UHFFFAOYSA-N -1 1 319.332 0.876 20 0 DCADMM c1csc(-c2noc(Cn3cnc(-c4nn[n-]n4)n3)n2)c1 ZINC001593588821 1167951751 /nfs/dbraw/zinc/95/17/51/1167951751.db2.gz HUFKWUKSEBEKKO-UHFFFAOYSA-N -1 1 301.295 0.618 20 0 DCADMM c1ncc(N2CCOC3(CCOCC3)C2)nc1-c1nnn[n-]1 ZINC001593594040 1167956527 /nfs/dbraw/zinc/95/65/27/1167956527.db2.gz YXQSVUVLQSQRFI-UHFFFAOYSA-N -1 1 303.326 0.043 20 0 DCADMM c1ncc(N2CCOC3(CCOCC3)C2)nc1-c1nn[n-]n1 ZINC001593594040 1167956533 /nfs/dbraw/zinc/95/65/33/1167956533.db2.gz 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NDJFRDKWDWVXLO-AWEZNQCLSA-N -1 1 304.350 0.803 20 0 DCADMM Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)NC[C@@H]2C)c(C(=O)[O-])c1 ZINC001610504180 1171244409 /nfs/dbraw/zinc/24/44/09/1171244409.db2.gz LXMMLYAXGVNZAP-MNOVXSKESA-N -1 1 319.361 0.841 20 0 DCADMM Cc1ccccc1[C@H](CO)NCC(=O)N1CCC(C(=O)[O-])CC1 ZINC001610530650 1171247861 /nfs/dbraw/zinc/24/78/61/1171247861.db2.gz DUKICSPLOVQUTK-HNNXBMFYSA-N -1 1 320.389 0.941 20 0 DCADMM Cc1ccccc1[C@@H](C(=O)[O-])N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001610529921 1171248093 /nfs/dbraw/zinc/24/80/93/1171248093.db2.gz VKUOUGLPAGKZIR-NEPJUHHUSA-N -1 1 303.318 0.357 20 0 DCADMM Cc1cnn(CCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC001610541507 1171249090 /nfs/dbraw/zinc/24/90/90/1171249090.db2.gz GINVDZILAOMUBH-CYBMUJFWSA-N -1 1 308.382 0.589 20 0 DCADMM Cn1cc(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)cc1C(=O)[O-] ZINC001610605191 1171265007 /nfs/dbraw/zinc/26/50/07/1171265007.db2.gz UIMZNXRVVARPNL-VIFPVBQESA-N -1 1 320.349 0.015 20 0 DCADMM O=C([O-])[C@@H](CNC(=O)c1[nH]nc2c1CCC2)Cc1ccncc1 ZINC001610688781 1171291235 /nfs/dbraw/zinc/29/12/35/1171291235.db2.gz SIWOFOKKNPXPKU-LLVKDONJSA-N -1 1 314.345 0.967 20 0 DCADMM O=C([O-])c1ccc(C(=O)NCCN2CCCOCC2)cc1F ZINC001610693157 1171292894 /nfs/dbraw/zinc/29/28/94/1171292894.db2.gz PDCHSYDVMDUGFZ-UHFFFAOYSA-N -1 1 310.325 0.976 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001610701355 1171295633 /nfs/dbraw/zinc/29/56/33/1171295633.db2.gz GPAKMROJHFINQK-UFBFGSQYSA-N -1 1 303.322 0.050 20 0 DCADMM O=C([O-])C[C@@]1(NC(=O)Cc2n[nH]c3c2CCCC3)CCCOC1 ZINC001610757226 1171312768 /nfs/dbraw/zinc/31/27/68/1171312768.db2.gz SHFFCZHCHYVYSN-INIZCTEOSA-N -1 1 321.377 0.971 20 0 DCADMM O=C([O-])C[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccccn2)CCO1 ZINC001610764185 1171317322 /nfs/dbraw/zinc/31/73/22/1171317322.db2.gz NQNLWANYVJRKRO-SNVBAGLBSA-N -1 1 316.317 0.787 20 0 DCADMM O=C([O-])Cn1ccc(NC(=O)[C@H]2Cc3ccccc3CN2)n1 ZINC001610800569 1171329900 /nfs/dbraw/zinc/32/99/00/1171329900.db2.gz AJULWWJCWFGAFF-GFCCVEGCSA-N -1 1 300.318 0.621 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC1CCC(C(N)=O)CC1 ZINC001616580232 1171380256 /nfs/dbraw/zinc/38/02/56/1171380256.db2.gz RYPUQUZHOKVYQQ-UHFFFAOYSA-N -1 1 310.379 0.553 20 0 DCADMM Cc1ncc(C[N-]S(=O)(=O)c2c(C)nn3cccnc23)o1 ZINC001622227272 1171421811 /nfs/dbraw/zinc/42/18/11/1171421811.db2.gz RKBXZOLTKBRMHS-UHFFFAOYSA-N -1 1 307.335 0.813 20 0 DCADMM COC(=O)C1(NC(=O)C(=O)c2ccc([O-])cc2)CCOCC1 ZINC001624194722 1171450092 /nfs/dbraw/zinc/45/00/92/1171450092.db2.gz UDSHKLBUOGBYFR-UHFFFAOYSA-N -1 1 307.302 0.413 20 0 DCADMM NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC001625715947 1171478297 /nfs/dbraw/zinc/47/82/97/1171478297.db2.gz XLLWCMQJCPRDEH-JTQLQIEISA-N -1 1 305.334 0.482 20 0 DCADMM CCNS(=O)(=O)CCNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001627020457 1171495594 /nfs/dbraw/zinc/49/55/94/1171495594.db2.gz CKPJUDPVCRGJGO-UHFFFAOYSA-N -1 1 314.363 0.182 20 0 DCADMM Cc1cn2nc(C(=O)Nc3cccc4nn[n-]c43)cc2c(=O)[nH]1 ZINC001628063652 1171518040 /nfs/dbraw/zinc/51/80/40/1171518040.db2.gz OWEGVDSCQHYORS-UHFFFAOYSA-N -1 1 309.289 0.855 20 0 DCADMM CSCC[C@H](NC(=O)[C@H](CC(C)C)C(N)=O)c1nn[n-]n1 ZINC001629931175 1171560433 /nfs/dbraw/zinc/56/04/33/1171560433.db2.gz DTHQYNYEENKHRN-BDAKNGLRSA-N -1 1 314.415 0.258 20 0 DCADMM C[C@@H]1CCCN(c2nnc(-c3nnn[n-]3)n2C[C@H]2CCOC2)C1 ZINC001649242317 1171609084 /nfs/dbraw/zinc/60/90/84/1171609084.db2.gz UIRMHIUCBKUNAM-GHMZBOCLSA-N -1 1 318.385 0.731 20 0 DCADMM C[C@@H]1CCCN(c2nnc(-c3nn[n-]n3)n2C[C@H]2CCOC2)C1 ZINC001649242317 1171609091 /nfs/dbraw/zinc/60/90/91/1171609091.db2.gz UIRMHIUCBKUNAM-GHMZBOCLSA-N -1 1 318.385 0.731 20 0 DCADMM Cc1cc2nc(C)cc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)n2n1 ZINC001632986351 1171627962 /nfs/dbraw/zinc/62/79/62/1171627962.db2.gz GLQMRHAIPWHOHM-SNVBAGLBSA-N -1 1 312.337 0.489 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC[S@@](=O)C1 ZINC001634099126 1171659182 /nfs/dbraw/zinc/65/91/82/1171659182.db2.gz YBJSRGFLIJFNQC-JLTPVHFHSA-N -1 1 324.431 0.859 20 0 DCADMM COc1nc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)co1 ZINC001634279810 1171669675 /nfs/dbraw/zinc/66/96/75/1171669675.db2.gz ODVXLXGAGVQXKN-SNVBAGLBSA-N -1 1 300.278 0.716 20 0 DCADMM CCC(CC)(NC(=O)c1ccnc2c1nnn2C)c1nn[n-]n1 ZINC001635931253 1171718786 /nfs/dbraw/zinc/71/87/86/1171718786.db2.gz QIWFWWTWACGHGH-UHFFFAOYSA-N -1 1 315.341 0.322 20 0 DCADMM O=C(c1ccc(-n2ccnn2)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC001636174408 1171729210 /nfs/dbraw/zinc/72/92/10/1171729210.db2.gz BNWNENUGYAXUES-UHFFFAOYSA-N -1 1 324.348 0.800 20 0 DCADMM COC[C@H](NC(=O)Cc1c[nH]c2cnccc12)c1nn[n-]n1 ZINC001638139440 1171786695 /nfs/dbraw/zinc/78/66/95/1171786695.db2.gz DJEDCTZEAHENPY-NSHDSACASA-N -1 1 301.310 0.122 20 0 DCADMM CC(=CC(=O)N1CCSC[C@H]1c1nn[n-]n1)c1cnccn1 ZINC001639025465 1171817916 /nfs/dbraw/zinc/81/79/16/1171817916.db2.gz NWRXYGMWRRJXHE-WDDYJBPVSA-N -1 1 317.378 0.710 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)CCS1(=O)=O ZINC001639210530 1171826776 /nfs/dbraw/zinc/82/67/76/1171826776.db2.gz GCFHBUBYHVLTEU-ONGXEEELSA-N -1 1 311.359 0.657 20 0 DCADMM O=C(NC[C@H](CO)Cc1cccnc1)C(=O)c1ccc([O-])cc1 ZINC001640158954 1171867865 /nfs/dbraw/zinc/86/78/65/1171867865.db2.gz KCGZIAXCNWHTFQ-CYBMUJFWSA-N -1 1 314.341 0.937 20 0 DCADMM CSCC[C@H](NC(=O)c1cnn2cccnc12)c1nn[n-]n1 ZINC001640963098 1171899535 /nfs/dbraw/zinc/89/95/35/1171899535.db2.gz HTGMXTWGGKXRQF-VIFPVBQESA-N -1 1 318.366 0.467 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)CCOCC2CC2)n[n-]1 ZINC001641182772 1171907643 /nfs/dbraw/zinc/90/76/43/1171907643.db2.gz MMCMGQSWUKOXRN-VIFPVBQESA-N -1 1 310.354 0.975 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CCOCC2CC2)[n-]1 ZINC001641182772 1171907648 /nfs/dbraw/zinc/90/76/48/1171907648.db2.gz MMCMGQSWUKOXRN-VIFPVBQESA-N -1 1 310.354 0.975 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCOCC2CC2)n1 ZINC001641182772 1171907652 /nfs/dbraw/zinc/90/76/52/1171907652.db2.gz MMCMGQSWUKOXRN-VIFPVBQESA-N -1 1 310.354 0.975 20 0 DCADMM CN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1nn[nH]n1 ZINC001641462282 1171915517 /nfs/dbraw/zinc/91/55/17/1171915517.db2.gz NPHKMYCVJAHBDF-UHFFFAOYSA-N -1 1 303.257 0.507 20 0 DCADMM CSCC[C@H](NC(=O)CCCCC(N)=O)c1nn[n-]n1 ZINC001641893506 1171932206 /nfs/dbraw/zinc/93/22/06/1171932206.db2.gz MTZYUYPYYODFKD-QMMMGPOBSA-N -1 1 300.388 0.156 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCc1cc(=O)c2ccccc2[nH]1 ZINC001643194742 1171969153 /nfs/dbraw/zinc/96/91/53/1171969153.db2.gz PKRCHLIFWDGJFA-UHFFFAOYSA-N -1 1 312.333 0.680 20 0 DCADMM Cc1nc2c(cccc2C(=O)N2CCOC[C@H]2c2nn[n-]n2)o1 ZINC001643193021 1171969416 /nfs/dbraw/zinc/96/94/16/1171969416.db2.gz XROUXOKRSWPKKE-JTQLQIEISA-N -1 1 314.305 0.863 20 0 DCADMM O=C(c1sccc1-n1ccnn1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001643387986 1171972536 /nfs/dbraw/zinc/97/25/36/1171972536.db2.gz XFQLCADWSVPIHW-QMMMGPOBSA-N -1 1 316.350 0.472 20 0 DCADMM Cn1c2cc(C(=O)NC3(c4nn[n-]n4)CCC3)ccc2[nH]c1=O ZINC001644748704 1172020740 /nfs/dbraw/zinc/02/07/40/1172020740.db2.gz VEKRTMABJGNHMX-UHFFFAOYSA-N -1 1 313.321 0.601 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)c1 ZINC001644940711 1172025117 /nfs/dbraw/zinc/02/51/17/1172025117.db2.gz ANTHGGOBEJFPQN-SKDRFNHKSA-N -1 1 311.359 0.676 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cc[n+]([O-])cc2)n[n-]1 ZINC001645206004 1172032084 /nfs/dbraw/zinc/03/20/84/1172032084.db2.gz IZMDDFGJCKEGIO-QMMMGPOBSA-N -1 1 305.294 0.106 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cc[n+]([O-])cc2)[n-]1 ZINC001645206004 1172032088 /nfs/dbraw/zinc/03/20/88/1172032088.db2.gz IZMDDFGJCKEGIO-QMMMGPOBSA-N -1 1 305.294 0.106 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cc[n+]([O-])cc2)n1 ZINC001645206004 1172032095 /nfs/dbraw/zinc/03/20/95/1172032095.db2.gz IZMDDFGJCKEGIO-QMMMGPOBSA-N -1 1 305.294 0.106 20 0 DCADMM O=C(c1cnc2c[nH]nc2c1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001645349329 1172040086 /nfs/dbraw/zinc/04/00/86/1172040086.db2.gz ABDBTTZCPVXBFJ-VIFPVBQESA-N -1 1 312.337 0.566 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)c3ccnc(-n4cncn4)c3)ccnc1-2 ZINC001645755738 1172125945 /nfs/dbraw/zinc/12/59/45/1172125945.db2.gz JQZTVBOGZODOIU-UHFFFAOYSA-N -1 1 320.316 0.570 20 0 DCADMM C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1 ZINC001645893479 1172174391 /nfs/dbraw/zinc/17/43/91/1172174391.db2.gz UOYCRMCQXDPAHG-SECBINFHSA-N -1 1 317.349 0.426 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCO[C@H](CCF)C1 ZINC001646042841 1172229687 /nfs/dbraw/zinc/22/96/87/1172229687.db2.gz BBJGKRAQMJBIDL-SSDOTTSWSA-N -1 1 301.274 0.097 20 0 DCADMM O=C(CNc1ccccc1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001646079487 1172244264 /nfs/dbraw/zinc/24/42/64/1172244264.db2.gz SUHIDYNXBDNVBC-UHFFFAOYSA-N -1 1 314.345 0.983 20 0 DCADMM C[C@H](Cc1c(F)cccc1F)NC(=O)COCc1nn[n-]n1 ZINC001646231021 1172296500 /nfs/dbraw/zinc/29/65/00/1172296500.db2.gz UAWMGANCZSNAML-MRVPVSSYSA-N -1 1 311.292 0.742 20 0 DCADMM CN(CC(=O)N1CCOC[C@@H]1CC(=O)[O-])[C@@H]1CCSC1 ZINC001646254369 1172305812 /nfs/dbraw/zinc/30/58/12/1172305812.db2.gz ZCZDYGAGBLWWTJ-MNOVXSKESA-N -1 1 302.396 0.126 20 0 DCADMM Cc1c(Br)c(C(=O)OCc2nn[n-]n2)nn1C ZINC001646883062 1172571986 /nfs/dbraw/zinc/57/19/86/1172571986.db2.gz AKUMPWTYUUQJHU-UHFFFAOYSA-N -1 1 301.104 0.361 20 0 DCADMM Cc1nc(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cs1 ZINC001647077606 1172660646 /nfs/dbraw/zinc/66/06/46/1172660646.db2.gz QCXFWBKHUBOIMW-UHFFFAOYSA-N -1 1 301.353 0.154 20 0 DCADMM Cc1nc(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cs1 ZINC001647077606 1172660648 /nfs/dbraw/zinc/66/06/48/1172660648.db2.gz QCXFWBKHUBOIMW-UHFFFAOYSA-N -1 1 301.353 0.154 20 0 DCADMM CCCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCOCC1 ZINC001647146048 1172701089 /nfs/dbraw/zinc/70/10/89/1172701089.db2.gz STRBCFWAHUMORG-ZDUSSCGKSA-N -1 1 318.439 0.876 20 0 DCADMM COC(=O)[C@H]1CCC[C@H]1NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001647188703 1172729930 /nfs/dbraw/zinc/72/99/30/1172729930.db2.gz CLMWJQBHFUNZRS-GXSJLCMTSA-N -1 1 317.349 0.805 20 0 DCADMM CCS(=O)(CC)=NS(=O)(=O)[N-]CCN1CC[C@@H](C)C1 ZINC001647335168 1172821578 /nfs/dbraw/zinc/82/15/78/1172821578.db2.gz ZFUSAWSIKRGNIW-LLVKDONJSA-N -1 1 311.473 0.670 20 0 DCADMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CC[C@@H]2C[C@@H]2C1 ZINC001647338124 1172824192 /nfs/dbraw/zinc/82/41/92/1172824192.db2.gz YLUIKWQFFNKLCF-NXEZZACHSA-N -1 1 304.350 0.806 20 0 DCADMM O=C([N-]CC1CN(C(=O)[C@H]2C[C@]23CCOC3)C1)C(F)(F)F ZINC001647353128 1172833684 /nfs/dbraw/zinc/83/36/84/1172833684.db2.gz PPRKWAMMCXVSMC-SKDRFNHKSA-N -1 1 306.284 0.550 20 0 DCADMM CCOc1cccc(CN[C@@H](CS(C)(=O)=O)C(=O)[O-])c1 ZINC001647412695 1172869682 /nfs/dbraw/zinc/86/96/82/1172869682.db2.gz FUEMZCGDIGWFTC-LBPRGKRZSA-N -1 1 301.364 0.673 20 0 DCADMM CN(C(=O)[C@H]1Cc2cc(Br)ccc2O1)c1nn[nH]n1 ZINC001647424632 1172880778 /nfs/dbraw/zinc/88/07/78/1172880778.db2.gz CSJYPDYCEGASGT-SECBINFHSA-N -1 1 324.138 0.929 20 0 DCADMM COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC001647424810 1172881710 /nfs/dbraw/zinc/88/17/10/1172881710.db2.gz UQHRRZBGNAOLMO-CQSZACIVSA-N -1 1 306.362 0.764 20 0 DCADMM COCCN1CC[C@@H](NC(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC001647424810 1172881716 /nfs/dbraw/zinc/88/17/16/1172881716.db2.gz UQHRRZBGNAOLMO-CQSZACIVSA-N -1 1 306.362 0.764 20 0 DCADMM COCCN(CCOC)C1CN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC001647627721 1173005923 /nfs/dbraw/zinc/00/59/23/1173005923.db2.gz ILJUICOLYWDDGL-UHFFFAOYSA-N -1 1 316.789 0.619 20 0 DCADMM CN(C(=O)c1cc(F)ccc1[O-])N1CCS(=O)(=O)CC1 ZINC001649340071 1173115703 /nfs/dbraw/zinc/11/57/03/1173115703.db2.gz SQVHYWNHALIOLC-UHFFFAOYSA-N -1 1 302.327 0.249 20 0 DCADMM C[C@@H](CN(C)C(=O)c1coc(C2CCOCC2)n1)c1nn[n-]n1 ZINC001649773914 1173215243 /nfs/dbraw/zinc/21/52/43/1173215243.db2.gz JIPPCHXOLNOAMF-VIFPVBQESA-N -1 1 320.353 0.957 20 0 DCADMM CCN(C)S(=O)(=O)[N-]C(=O)c1ccn(-c2ccncc2)n1 ZINC001649775898 1173217380 /nfs/dbraw/zinc/21/73/80/1173217380.db2.gz RIJSOKYRESBVEL-UHFFFAOYSA-N -1 1 309.351 0.194 20 0 DCADMM Cc1nc(S(=O)(=O)[C@H](C)C(=O)NCc2ccc(C)cc2)n[n-]1 ZINC001649792359 1173227691 /nfs/dbraw/zinc/22/76/91/1173227691.db2.gz CEWDPKZZFIZSOD-SNVBAGLBSA-N -1 1 322.390 0.900 20 0 DCADMM CC(=O)C[C@@H]1COCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001650019445 1173381256 /nfs/dbraw/zinc/38/12/56/1173381256.db2.gz RCOHPTCKKLJCCA-LLVKDONJSA-N -1 1 305.334 0.880 20 0 DCADMM O=C(c1cnncc1[O-])N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC001650198637 1173511305 /nfs/dbraw/zinc/51/13/05/1173511305.db2.gz WGVHSWDDWIQVBA-INIZCTEOSA-N -1 1 310.313 0.918 20 0 DCADMM Cn1c(-c2nnn[n-]2)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001650260743 1173534166 /nfs/dbraw/zinc/53/41/66/1173534166.db2.gz CZMRANHTQSBICD-JTQLQIEISA-N -1 1 304.358 0.248 20 0 DCADMM Cn1c(-c2nn[n-]n2)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001650260743 1173534170 /nfs/dbraw/zinc/53/41/70/1173534170.db2.gz CZMRANHTQSBICD-JTQLQIEISA-N -1 1 304.358 0.248 20 0 DCADMM CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H](COC)C1 ZINC001650295457 1173556637 /nfs/dbraw/zinc/55/66/37/1173556637.db2.gz DTYHVQKLCHLSHP-SNVBAGLBSA-N -1 1 306.374 0.265 20 0 DCADMM CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H](COC)C1 ZINC001650295457 1173556640 /nfs/dbraw/zinc/55/66/40/1173556640.db2.gz DTYHVQKLCHLSHP-SNVBAGLBSA-N -1 1 306.374 0.265 20 0 DCADMM O=C(c1ncc2n1CCCC2)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001650590043 1173711411 /nfs/dbraw/zinc/71/14/11/1173711411.db2.gz VFWGKVCTZGPFKP-LLVKDONJSA-N -1 1 315.381 0.827 20 0 DCADMM O=C(c1c[nH]nc1-c1ccccn1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650857870 1173733867 /nfs/dbraw/zinc/73/38/67/1173733867.db2.gz KTDZLCXOHUBGSB-SECBINFHSA-N -1 1 310.321 0.615 20 0 DCADMM COC[C@@H](NC(=O)c1cn2ccc(C)cc2n1)c1nn[n-]n1 ZINC001651844151 1173753927 /nfs/dbraw/zinc/75/39/27/1173753927.db2.gz YTXYSGYFOVSXFJ-SNVBAGLBSA-N -1 1 301.310 0.273 20 0 DCADMM COc1cc(S(=O)(=O)[N-]CCCc2cnn(C)n2)sn1 ZINC001655472211 1173820627 /nfs/dbraw/zinc/82/06/27/1173820627.db2.gz ITTMOFDOSPYISW-UHFFFAOYSA-N -1 1 317.396 0.191 20 0 DCADMM CCN(CCCNC(=O)Cn1cc(C)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001660497325 1174000571 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0.232 20 0 DCADMM C[C@H]1OCC[C@H]1C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001167540361 747361396 /nfs/dbraw/zinc/36/13/96/747361396.db2.gz QSPCWONUAVUZPS-GHMZBOCLSA-N -1 1 323.397 0.311 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001087198944 747363323 /nfs/dbraw/zinc/36/33/23/747363323.db2.gz KLXWDEULRCJQOA-WISYIIOYSA-N -1 1 307.398 0.883 20 0 DCADMM CCCCn1nnnc1CNCCNC(=O)c1ncccc1[O-] ZINC001126130558 748233409 /nfs/dbraw/zinc/23/34/09/748233409.db2.gz DTGSCWQFPUCQHG-UHFFFAOYSA-N -1 1 319.369 0.093 20 0 DCADMM CC(=O)OC[C@H](COc1[n-]c(=S)ncc1F)OC(C)=O ZINC001227382444 749234366 /nfs/dbraw/zinc/23/43/66/749234366.db2.gz DULMEYCLKBEKFR-MRVPVSSYSA-N -1 1 304.299 0.778 20 0 DCADMM CO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515336 749275019 /nfs/dbraw/zinc/27/50/19/749275019.db2.gz XBHMVSAZSVBCPT-NWDGAFQWSA-N -1 1 321.377 0.791 20 0 DCADMM O=C(c1cocn1)N1CCCCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088278926 749333734 /nfs/dbraw/zinc/33/37/34/749333734.db2.gz GOEXKBOOEXAYQO-SNVBAGLBSA-N -1 1 320.353 0.673 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CC=CCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088465511 749472600 /nfs/dbraw/zinc/47/26/00/749472600.db2.gz RKLKGACQOUQTLO-UPJWGTAASA-N -1 1 319.409 0.544 20 0 DCADMM Cc1cc(NC[C@H](O)CNC(=O)c2ncccc2[O-])ncn1 ZINC001105801849 750483343 /nfs/dbraw/zinc/48/33/43/750483343.db2.gz DFDMIEBKHCFRAA-JTQLQIEISA-N -1 1 303.322 0.088 20 0 DCADMM Cc1n[nH]cc1C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001077691663 752329931 /nfs/dbraw/zinc/32/99/31/752329931.db2.gz OFBFRZCNKBDUQE-VIFPVBQESA-N -1 1 317.349 0.757 20 0 DCADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045020870 753003183 /nfs/dbraw/zinc/00/31/83/753003183.db2.gz JPCITJSTXTZRJN-CIUDSAMLSA-N -1 1 315.324 0.492 20 0 DCADMM CO[C@H](C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1)C(C)C ZINC001045183883 753079632 /nfs/dbraw/zinc/07/96/32/753079632.db2.gz GASJIBHCIRBRCY-JQWIXIFHSA-N -1 1 311.386 0.262 20 0 DCADMM C[C@@H](C(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001078369415 753207029 /nfs/dbraw/zinc/20/70/29/753207029.db2.gz LBHSDDKAYUBXHY-ZYHUDNBSSA-N -1 1 323.397 0.264 20 0 DCADMM Cn1[n-]c(CN2CC[C@](C)(NC(=O)[C@H]3CC=CCC3)C2)nc1=O ZINC001046138194 753502684 /nfs/dbraw/zinc/50/26/84/753502684.db2.gz SQBOHHAJXIWJFJ-LRDDRELGSA-N -1 1 319.409 0.545 20 0 DCADMM CCCC(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1[O-] ZINC001061205389 753583452 /nfs/dbraw/zinc/58/34/52/753583452.db2.gz AOXRCZHIGOZVTD-LLVKDONJSA-N -1 1 307.350 0.545 20 0 DCADMM CC[C@H](C)n1nccc1C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001128445443 753670985 /nfs/dbraw/zinc/67/09/85/753670985.db2.gz UYUNIZXVZNDSED-VIFPVBQESA-N -1 1 307.358 0.197 20 0 DCADMM CC[C@@H](F)CN1CC[C@](C)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001046454985 753731074 /nfs/dbraw/zinc/73/10/74/753731074.db2.gz UGPBPWYXNNXPIV-OQPBUACISA-N -1 1 313.333 0.225 20 0 DCADMM CCC[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001046604620 753823995 /nfs/dbraw/zinc/82/39/95/753823995.db2.gz LPHYUVUTTRYLLD-XHBSWPGZSA-N -1 1 321.425 0.625 20 0 DCADMM CC(C)OCC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071951997 762251974 /nfs/dbraw/zinc/25/19/74/762251974.db2.gz GPPOZDDSMRGRAH-RYUDHWBXSA-N -1 1 321.377 0.789 20 0 DCADMM CC(C)CC(=O)N(C)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001048090034 754607330 /nfs/dbraw/zinc/60/73/30/754607330.db2.gz GPYTVQXGOOPWKA-AAEUAGOBSA-N -1 1 321.377 0.477 20 0 DCADMM O=C(C1=CCCC1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048764554 754923741 /nfs/dbraw/zinc/92/37/41/754923741.db2.gz DEXXLVFQNRKAGU-TXEJJXNPSA-N -1 1 303.366 0.511 20 0 DCADMM CC/C=C\CCN1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001113583646 762403192 /nfs/dbraw/zinc/40/31/92/762403192.db2.gz XHLOCLSOIQQHLD-ARJAWSKDSA-N -1 1 309.370 0.190 20 0 DCADMM O=C(N[C@@H]1COC2(CN(CC3CC3)C2)C1)c1ncccc1[O-] ZINC001053784388 756202911 /nfs/dbraw/zinc/20/29/11/756202911.db2.gz NCALJJXOQLASPO-LBPRGKRZSA-N -1 1 303.362 0.770 20 0 DCADMM CCC(=O)N1CCC(CO)(NC(=O)c2ncccc2[O-])CC1 ZINC001080826081 756360291 /nfs/dbraw/zinc/36/02/91/756360291.db2.gz AQEYWSWXOZADLU-UHFFFAOYSA-N -1 1 307.350 0.281 20 0 DCADMM O=C(CC1CC1)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001081163250 756462462 /nfs/dbraw/zinc/46/24/62/756462462.db2.gz HGSPCSLUPXLHDA-YPMHNXCESA-N -1 1 319.361 0.136 20 0 DCADMM C[C@H]1CN(C(=O)COC2CCCC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054411224 756472908 /nfs/dbraw/zinc/47/29/08/756472908.db2.gz LCTMMMZQOSPORA-JQWIXIFHSA-N -1 1 323.397 0.406 20 0 DCADMM C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054484590 756505155 /nfs/dbraw/zinc/50/51/55/756505155.db2.gz SNNLLHFFERWFBK-HTQZYQBOSA-N -1 1 308.367 0.217 20 0 DCADMM Cc1nonc1CN[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001054587677 756553094 /nfs/dbraw/zinc/55/30/94/756553094.db2.gz FJMOBQJUDRCXJS-CABZTGNLSA-N -1 1 317.349 0.729 20 0 DCADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NCc1ncccn1 ZINC001054589031 756554935 /nfs/dbraw/zinc/55/49/35/756554935.db2.gz 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20 0 DCADMM CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)C1CCCC1 ZINC001085452566 758897599 /nfs/dbraw/zinc/89/75/99/758897599.db2.gz SFZPODWQGJRSFA-LBPRGKRZSA-N -1 1 307.398 0.331 20 0 DCADMM CN(C[C@H]1CCN1Cc1cnsn1)C(=O)c1ncccc1[O-] ZINC001085561014 759042154 /nfs/dbraw/zinc/04/21/54/759042154.db2.gz AOWBQOTWUPJXEB-LLVKDONJSA-N -1 1 319.390 0.985 20 0 DCADMM CNC(=O)[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001085561716 759043082 /nfs/dbraw/zinc/04/30/82/759043082.db2.gz SVXIAGBMMKPUPI-QWRGUYRKSA-N -1 1 306.366 0.068 20 0 DCADMM Cc1cocc1C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001085766379 759282859 /nfs/dbraw/zinc/28/28/59/759282859.db2.gz IAGTWNBKWBCELD-NSHDSACASA-N -1 1 319.365 0.356 20 0 DCADMM CCOC(=O)[C@]12C[C@H]1CCN2C(=O)c1c(CO)cnc(C)c1[O-] ZINC001147836686 767856220 /nfs/dbraw/zinc/85/62/20/767856220.db2.gz PCYRVFHBNGIQFT-BZNIZROVSA-N -1 1 320.345 0.756 20 0 DCADMM Cc1ncc(CO)c(C(=O)NCCC(=O)N(C)C2CC2)c1[O-] ZINC001147842749 767858910 /nfs/dbraw/zinc/85/89/10/767858910.db2.gz LHFVYJITMZLSEM-UHFFFAOYSA-N -1 1 307.350 0.329 20 0 DCADMM Cc1ncc(CO)c(C(=O)NCc2cnc(Cl)cn2)c1[O-] ZINC001147848602 767861481 /nfs/dbraw/zinc/86/14/81/767861481.db2.gz NORGHTRTWDLPFG-UHFFFAOYSA-N -1 1 308.725 0.961 20 0 DCADMM CC(C)Cc1c[nH]c(C(=O)NCCNCc2n[nH]c(=O)[n-]2)c1 ZINC001148018793 767898086 /nfs/dbraw/zinc/89/80/86/767898086.db2.gz JEWNCBLNFHHWMW-UHFFFAOYSA-N -1 1 306.370 0.557 20 0 DCADMM CO[C@@](C)(C(=O)NCCNCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC001148210652 767936054 /nfs/dbraw/zinc/93/60/54/767936054.db2.gz BTXKFHLTSORNLG-OAHLLOKOSA-N -1 1 319.365 0.278 20 0 DCADMM CCC(=O)NC[C@@H]1CCC2(CN(C(=O)c3ncccc3[O-])C2)O1 ZINC001068472208 760371852 /nfs/dbraw/zinc/37/18/52/760371852.db2.gz JICMMPWHMGLDQU-NSHDSACASA-N -1 1 319.361 0.687 20 0 DCADMM Cn1[n-]c(CN2CCc3c(sc4ncnc(N)c34)C2)nc1=O ZINC001168887325 760499946 /nfs/dbraw/zinc/49/99/46/760499946.db2.gz WUJJROLGODYHBI-UHFFFAOYSA-N -1 1 317.378 0.254 20 0 DCADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3COC(=O)C3)cc2)[n-]1 ZINC001148336054 767963844 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CC(=O)N[C@@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)C(C)C ZINC001413329315 942895119 /nfs/dbraw/zinc/89/51/19/942895119.db2.gz JGWSWOUVKPQGLQ-CHWSQXEVSA-N -1 1 316.365 0.566 20 0 DCADMM Cc1nc([C@@H]([N-]S(=O)(=O)C2CCC2)c2cnn(C)c2)no1 ZINC001413355704 942920852 /nfs/dbraw/zinc/92/08/52/942920852.db2.gz NBCSJSHWOWMFIJ-NSHDSACASA-N -1 1 311.367 0.673 20 0 DCADMM Cc1cc(S(=O)(=O)[N-][C@H](C)C2N=NC(=O)N2C)sn1 ZINC001413387477 942943070 /nfs/dbraw/zinc/94/30/70/942943070.db2.gz UONYMCBHMGSWPG-ZCFIWIBFSA-N -1 1 303.369 0.325 20 0 DCADMM Cc1noc([C@@H]([N-]S(=O)(=O)CCn2cccn2)C(C)C)n1 ZINC001413478544 943009881 /nfs/dbraw/zinc/00/98/81/943009881.db2.gz CDBAJAADSDICRV-NSHDSACASA-N -1 1 313.383 0.891 20 0 DCADMM CC(C)[C@@H](C)C(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001409912188 943014391 /nfs/dbraw/zinc/01/43/91/943014391.db2.gz NHXIHVRQVKROOK-GHMZBOCLSA-N -1 1 309.414 0.337 20 0 DCADMM CCC[C@H](C)N1C[C@H](C(=O)N[C@@H](COC)c2nn[n-]n2)CC1=O ZINC001413551313 943068082 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CCCn1nccc1NC(=O)CN1C[C@H]2COC[C@]2(C(=O)[O-])C1 ZINC001549923861 1014492584 /nfs/dbraw/zinc/49/25/84/1014492584.db2.gz BISDMDLGEILYRG-XHDPSFHLSA-N -1 1 322.365 0.265 20 0 DCADMM C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1nn[nH]n1 ZINC001592574043 978468350 /nfs/dbraw/zinc/46/83/50/978468350.db2.gz CCUHYXUHAQWADS-KXUCPTDWSA-N -1 1 311.342 0.174 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ccc(C=CC(=O)[O-])o1)c1nn[nH]n1 ZINC001592579379 978488119 /nfs/dbraw/zinc/48/81/19/978488119.db2.gz FNLPMPLODOPPLD-HORMHSFOSA-N -1 1 305.294 0.766 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ccc(C=CC(=O)[O-])o1)c1nn[nH]n1 ZINC001592579380 978488311 /nfs/dbraw/zinc/48/83/11/978488311.db2.gz FNLPMPLODOPPLD-JQTRYQTASA-N -1 1 305.294 0.766 20 0 DCADMM C[C@@H](CS(=O)(=O)N1CCc2nc[nH]c2C12CCC2)C(=O)[O-] ZINC001592800846 979460737 /nfs/dbraw/zinc/46/07/37/979460737.db2.gz SCQHRMRIFJHHSA-VIFPVBQESA-N -1 1 313.379 0.698 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)[C@H]1CN(C)CCN1C ZINC001593040067 980322553 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/nfs/dbraw/zinc/90/65/59/989906559.db2.gz PAHYRCWWJQHEDE-MEDUHNTESA-N -1 1 321.377 0.933 20 0 DCADMM CCn1nc(C)cc1C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001597942670 989919664 /nfs/dbraw/zinc/91/96/64/989919664.db2.gz AZDCMRRBKXSJDE-GFCCVEGCSA-N -1 1 308.382 0.832 20 0 DCADMM CCn1nc(C)cc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001597942670 989919669 /nfs/dbraw/zinc/91/96/69/989919669.db2.gz AZDCMRRBKXSJDE-GFCCVEGCSA-N -1 1 308.382 0.832 20 0 DCADMM CN(CC1=CCSC1)c1nnc(-c2nnn[n-]2)n1CC1CC1 ZINC001527803213 1015547046 /nfs/dbraw/zinc/54/70/46/1015547046.db2.gz LALSXMSCJJKFHF-UHFFFAOYSA-N -1 1 318.410 0.978 20 0 DCADMM CN(CC1=CCSC1)c1nnc(-c2nn[n-]n2)n1CC1CC1 ZINC001527803213 1015547054 /nfs/dbraw/zinc/54/70/54/1015547054.db2.gz LALSXMSCJJKFHF-UHFFFAOYSA-N -1 1 318.410 0.978 20 0 DCADMM CC(C)(CN1CCOCC1)C(=O)NCc1cc(C(=O)[O-])co1 ZINC001590703081 990434452 /nfs/dbraw/zinc/43/44/52/990434452.db2.gz UPEAXLLCSRJGDZ-UHFFFAOYSA-N -1 1 310.350 0.952 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])Cc1nncn1C ZINC001390893909 990463656 /nfs/dbraw/zinc/46/36/56/990463656.db2.gz AKJXLOAFBUYWFK-UHFFFAOYSA-N -1 1 304.354 0.168 20 0 DCADMM CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])[C@H](C)C(=O)NC ZINC001391127698 990607500 /nfs/dbraw/zinc/60/75/00/990607500.db2.gz UNPPBJVKYDJJKJ-SNVBAGLBSA-N -1 1 311.386 0.000 20 0 DCADMM CN(C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(F)c1)c1nn[n-]n1 ZINC001552962699 1015577061 /nfs/dbraw/zinc/57/70/61/1015577061.db2.gz QOBNJRPCURLDLZ-JQWIXIFHSA-N -1 1 318.312 0.521 20 0 DCADMM CN(C)C[C@H]1CCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598207657 990842114 /nfs/dbraw/zinc/84/21/14/990842114.db2.gz ITTZBLORWSSKIO-UTUOFQBUSA-N -1 1 304.412 0.596 20 0 DCADMM COc1cccc2c1n[nH]c2C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC001599689788 991048935 /nfs/dbraw/zinc/04/89/35/991048935.db2.gz SGSHRLHSOAXHOJ-UHFFFAOYSA-N -1 1 316.277 0.569 20 0 DCADMM COCC1(C(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001391858981 991229813 /nfs/dbraw/zinc/22/98/13/991229813.db2.gz VRJFBVNNPSZLES-SNVBAGLBSA-N -1 1 309.370 0.018 20 0 DCADMM COc1ccnc(CNC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c1 ZINC001599720820 991533853 /nfs/dbraw/zinc/53/38/53/991533853.db2.gz OQPVJAHSXSQGQZ-QWHCGFSZSA-N -1 1 319.361 0.549 20 0 DCADMM CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001591096173 991685583 /nfs/dbraw/zinc/68/55/83/991685583.db2.gz BHEFODRMFIMPCM-NSHDSACASA-N -1 1 309.370 0.922 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H](C)CCN[C@@H](C)c2nncn2C)c1[O-] ZINC001392434308 991925070 /nfs/dbraw/zinc/92/50/70/991925070.db2.gz XEIQMZREQISNDK-WPRPVWTQSA-N -1 1 321.385 0.411 20 0 DCADMM CC(C)C[C@@H](NC(=O)CN1CC[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC001591167624 991936122 /nfs/dbraw/zinc/93/61/22/991936122.db2.gz JSASMRXOHPNXKX-QWHCGFSZSA-N -1 1 323.397 0.216 20 0 DCADMM CCc1nocc1CNC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001392472242 991972566 /nfs/dbraw/zinc/97/25/66/991972566.db2.gz VWWVJZIJUZHVEU-MRVPVSSYSA-N -1 1 307.354 0.882 20 0 DCADMM CC(C)c1ccc(C(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)nc1 ZINC001392509696 992025373 /nfs/dbraw/zinc/02/53/73/992025373.db2.gz IEMBIBRBXQURMQ-SNVBAGLBSA-N -1 1 318.381 0.937 20 0 DCADMM COc1cccc(C(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)c1F ZINC001392522440 992043730 /nfs/dbraw/zinc/04/37/30/992043730.db2.gz WSEXVYXCAGUTAB-MRVPVSSYSA-N -1 1 323.328 0.566 20 0 DCADMM CS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)cn1 ZINC001599760947 992120866 /nfs/dbraw/zinc/12/08/66/992120866.db2.gz TVXCZPWWLMVCSN-SNVBAGLBSA-N -1 1 313.335 0.046 20 0 DCADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001392615049 992162888 /nfs/dbraw/zinc/16/28/88/992162888.db2.gz RHLIJPNUAVTEGA-VIFPVBQESA-N -1 1 321.385 0.275 20 0 DCADMM Cc1nnc(CN(C)C[C@@H](C)NC(=O)c2ncccc2[O-])o1 ZINC001392636660 992184073 /nfs/dbraw/zinc/18/40/73/992184073.db2.gz CPWFPQHKVFHNAM-SECBINFHSA-N -1 1 305.338 0.729 20 0 DCADMM CN(CCN(C)S(=O)(=O)c1csnc1C(=O)[O-])C1CC1 ZINC001598485364 992197321 /nfs/dbraw/zinc/19/73/21/992197321.db2.gz RCVZCXAQMCMUDP-UHFFFAOYSA-N -1 1 319.408 0.556 20 0 DCADMM CN(CCN1CC2(C1)CCOCC2)c1nccc(C(=O)[O-])n1 ZINC001598487648 992229983 /nfs/dbraw/zinc/22/99/83/992229983.db2.gz ZDGWNCSTBWNBBB-UHFFFAOYSA-N -1 1 306.366 0.723 20 0 DCADMM CN(CCNC(=O)CCc1cnc[nH]1)c1ncc(C(=O)[O-])cn1 ZINC001598490148 992276208 /nfs/dbraw/zinc/27/62/08/992276208.db2.gz GSBDFAIWEZJPAL-UHFFFAOYSA-N -1 1 318.337 0.083 20 0 DCADMM O=C(N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1CC1(F)F ZINC001392768138 992369678 /nfs/dbraw/zinc/36/96/78/992369678.db2.gz ALUQWARRCZIDIJ-YUMQZZPRSA-N -1 1 301.297 0.150 20 0 DCADMM Cc1nnccc1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001392775706 992380667 /nfs/dbraw/zinc/38/06/67/992380667.db2.gz YQRPRWCSRUAZNY-VIFPVBQESA-N -1 1 315.333 0.434 20 0 DCADMM CN(CC[N@@H+](C)CCc1ccns1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598502794 992456525 /nfs/dbraw/zinc/45/65/25/992456525.db2.gz KZQUDJYRZDDBJB-NEPJUHHUSA-N -1 1 311.407 0.797 20 0 DCADMM CN(CCc1ccns1)CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598502794 992456528 /nfs/dbraw/zinc/45/65/28/992456528.db2.gz KZQUDJYRZDDBJB-NEPJUHHUSA-N -1 1 311.407 0.797 20 0 DCADMM CN(Cc1cnc[nH]1)S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001598505214 992495263 /nfs/dbraw/zinc/49/52/63/992495263.db2.gz HQROIIVAXBBJJD-UHFFFAOYSA-N -1 1 301.368 0.815 20 0 DCADMM Cc1nnccc1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001392971805 992594688 /nfs/dbraw/zinc/59/46/88/992594688.db2.gz QJZXGZWNDNJBCT-VIFPVBQESA-N -1 1 315.333 0.434 20 0 DCADMM C[C@]1(CNC(=O)c2ncccc2[O-])CCCN(CC(N)=O)C1 ZINC001393191869 992734770 /nfs/dbraw/zinc/73/47/70/992734770.db2.gz HLYWHXBQIORAKO-OAHLLOKOSA-N -1 1 306.366 0.104 20 0 DCADMM CN(Cc1ccccc1)C(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001598527503 992737665 /nfs/dbraw/zinc/73/76/65/992737665.db2.gz LYGZOUYFMHOULL-INIZCTEOSA-N -1 1 320.389 0.803 20 0 DCADMM Cn1cc(C[N@@H+](C)C[C@H](O)COc2ccc(C(=O)[O-])cc2)cn1 ZINC001598534016 992826914 /nfs/dbraw/zinc/82/69/14/992826914.db2.gz LJOYHOHZJNLRLK-AWEZNQCLSA-N -1 1 319.361 0.990 20 0 DCADMM CN(Cc1cnn(C)c1)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001598534016 992826922 /nfs/dbraw/zinc/82/69/22/992826922.db2.gz LJOYHOHZJNLRLK-AWEZNQCLSA-N -1 1 319.361 0.990 20 0 DCADMM CN1C(=O)C[C@@H](C(=O)NOCCCC(=O)[O-])[C@@H]1c1cccnc1 ZINC001598553092 993026273 /nfs/dbraw/zinc/02/62/73/993026273.db2.gz HFMAXQDESIAPMI-RISCZKNCSA-N -1 1 321.333 0.514 20 0 DCADMM CC(C)(C)OCC(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001393611143 993123558 /nfs/dbraw/zinc/12/35/58/993123558.db2.gz PHLIZGBZGSXGGT-UHFFFAOYSA-N -1 1 321.377 0.981 20 0 DCADMM C[N@@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)c2ncccc2O)CC1 ZINC001393612187 993125905 /nfs/dbraw/zinc/12/59/05/993125905.db2.gz YIIHSWKDLFHRAE-NSHDSACASA-N -1 1 318.377 0.260 20 0 DCADMM CN1C[C@@H](O)C[C@@]1(C)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001598569284 993178084 /nfs/dbraw/zinc/17/80/84/993178084.db2.gz ITJFEQIIUHPCIJ-YOEHRIQHSA-N -1 1 318.373 0.725 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)C1(C(C)(F)F)CC1 ZINC001393979204 993387746 /nfs/dbraw/zinc/38/77/46/993387746.db2.gz LBVOCPUBBFOBOO-SFYZADRCSA-N -1 1 317.340 0.929 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)c1cncc(Cl)c1 ZINC001393979527 993388088 /nfs/dbraw/zinc/38/80/88/993388088.db2.gz BXUTZTLYCFUROW-YUMQZZPRSA-N -1 1 324.772 0.855 20 0 DCADMM CCc1[nH]ccc1C(=O)NC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001394061953 993446516 /nfs/dbraw/zinc/44/65/16/993446516.db2.gz APIAGHDIWJOUBP-JTQLQIEISA-N -1 1 320.397 0.249 20 0 DCADMM CN([C@H]1CCCN(C)C1)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598597048 993520729 /nfs/dbraw/zinc/52/07/29/993520729.db2.gz XYRZDCQFDOKORU-RWMBFGLXSA-N -1 1 318.439 0.986 20 0 DCADMM COc1ccc(F)cc1CNCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001599584824 993599107 /nfs/dbraw/zinc/59/91/07/993599107.db2.gz SONJPHIPDQYZAL-RYUDHWBXSA-N -1 1 310.325 0.761 20 0 DCADMM CN(C(=O)c1cc(F)c[nH]1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001394429815 993698780 /nfs/dbraw/zinc/69/87/80/993698780.db2.gz GQAPLJWBALFFQP-NSHDSACASA-N -1 1 322.344 0.618 20 0 DCADMM CN1CCN(C(=O)c2cc3n[nH]nc3cc2F)C[C@H](C(=O)[O-])C1 ZINC001598612198 993797914 /nfs/dbraw/zinc/79/79/14/993797914.db2.gz YDLQIQUZYRWXEE-MRVPVSSYSA-N -1 1 321.312 0.185 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)CCC2CCC2)nc1=O ZINC001399834698 993828351 /nfs/dbraw/zinc/82/83/51/993828351.db2.gz NEGFWCLDJNWSPO-CYBMUJFWSA-N -1 1 321.425 0.769 20 0 DCADMM C[C@@H](NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)c1nnc[nH]1 ZINC001593124675 993854627 /nfs/dbraw/zinc/85/46/27/993854627.db2.gz SDZGYIHZMDYMIW-SSDOTTSWSA-N -1 1 307.314 0.704 20 0 DCADMM CC(=O)CCCC(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001399906723 993910100 /nfs/dbraw/zinc/91/01/00/993910100.db2.gz AXPQEHJILFNTDE-SNVBAGLBSA-N -1 1 307.350 0.781 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)CCCC2CC2)CC1 ZINC001598617441 993915651 /nfs/dbraw/zinc/91/56/51/993915651.db2.gz ZUQWSAFKJGIXHY-UHFFFAOYSA-N -1 1 311.426 0.727 20 0 DCADMM C[C@H](CNC(=O)COC(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001399943256 993964379 /nfs/dbraw/zinc/96/43/79/993964379.db2.gz WSNKYSSDPDRQRB-SNVBAGLBSA-N -1 1 309.366 0.837 20 0 DCADMM 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/nfs/dbraw/zinc/19/71/91/1009197191.db2.gz FXRLCAMWJNGSDG-QWRGUYRKSA-N -1 1 307.350 0.448 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)COC1CCCC1 ZINC001454598652 1009215402 /nfs/dbraw/zinc/21/54/02/1009215402.db2.gz RUKYMXRVMPBGNE-LLVKDONJSA-N -1 1 321.377 0.981 20 0 DCADMM COC(=O)[C@H]1C[C@@H](C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)C1 ZINC001433933409 1009368454 /nfs/dbraw/zinc/36/84/54/1009368454.db2.gz RPLSDNKHGODJMA-BBBLOLIVSA-N -1 1 309.322 0.680 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)NC(=O)Cc1ccc[nH]1 ZINC001442462839 1009370002 /nfs/dbraw/zinc/37/00/02/1009370002.db2.gz CCCMPDMJGYCXMJ-WDEREUQCSA-N -1 1 316.361 0.981 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](CO)[C@@H]1C ZINC001433950728 1009389140 /nfs/dbraw/zinc/38/91/40/1009389140.db2.gz WHYMXRFPYIVTAJ-CMPLNLGQSA-N -1 1 318.377 0.824 20 0 DCADMM C[C@H](CCNC(=O)C1=COCCO1)NC(=O)c1ncccc1[O-] ZINC001454967284 1009416821 /nfs/dbraw/zinc/41/68/21/1009416821.db2.gz UCJKCTRCTVAFHL-SNVBAGLBSA-N -1 1 321.333 0.300 20 0 DCADMM COC1CC(C(=O)N[C@H](C)CCNC(=O)c2ncccc2[O-])C1 ZINC001455012677 1009440396 /nfs/dbraw/zinc/44/03/96/1009440396.db2.gz DKJILCPCQBCMRR-VOMCLLRMSA-N -1 1 321.377 0.837 20 0 DCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001455021338 1009448082 /nfs/dbraw/zinc/44/80/82/1009448082.db2.gz NJXGFDFYOLYPSD-SNVBAGLBSA-N -1 1 320.397 0.601 20 0 DCADMM Cc1cc(C(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C(C)C)co1 ZINC001422086300 1009472112 /nfs/dbraw/zinc/47/21/12/1009472112.db2.gz MRECHNGBTYGGAC-LLVKDONJSA-N -1 1 307.354 0.956 20 0 DCADMM CC[C@H](CC(C)C)C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1 ZINC001442564807 1009478269 /nfs/dbraw/zinc/47/82/69/1009478269.db2.gz KEQBVHIMFWPJJA-GFCCVEGCSA-N -1 1 311.430 0.729 20 0 DCADMM CC[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC001434048185 1009490582 /nfs/dbraw/zinc/49/05/82/1009490582.db2.gz WJSGZEHLSBSJMT-ZJUUUORDSA-N -1 1 316.379 0.421 20 0 DCADMM CN(CCN(C)[C@H]1CCN(C)C1=O)C(=O)c1ncccc1[O-] ZINC001422156165 1009568825 /nfs/dbraw/zinc/56/88/25/1009568825.db2.gz LCONTKCVFDUMIR-NSHDSACASA-N -1 1 306.366 0.022 20 0 DCADMM COC[C@H](C)C(=O)N[C@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001509394505 1017281556 /nfs/dbraw/zinc/28/15/56/1017281556.db2.gz JEVRRPYSUUBMKW-WDEREUQCSA-N -1 1 321.377 0.646 20 0 DCADMM CC(=O)Nc1ccc(C(=O)N(Cc2nn[n-]n2)CC(C)C)nc1 ZINC001455321982 1009658406 /nfs/dbraw/zinc/65/84/06/1009658406.db2.gz NHKAFUJFWIQGTE-UHFFFAOYSA-N -1 1 317.353 0.852 20 0 DCADMM COCC1(C(=O)NCCN(C)C(=O)c2ncccc2[O-])CC1 ZINC001455344586 1009673782 /nfs/dbraw/zinc/67/37/82/1009673782.db2.gz SENAGPBKOZXDMC-UHFFFAOYSA-N -1 1 307.350 0.402 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1ccn(C)n1 ZINC001442732557 1009679114 /nfs/dbraw/zinc/67/91/14/1009679114.db2.gz XNTATLNRBONVSR-SNVBAGLBSA-N -1 1 317.349 0.411 20 0 DCADMM O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1nc([O-])cc(=O)[nH]1 ZINC001434230895 1009679837 /nfs/dbraw/zinc/67/98/37/1009679837.db2.gz FLQSBQODZCGAGZ-JTQLQIEISA-N -1 1 314.301 0.379 20 0 DCADMM Cc1c[nH]nc1C(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001442739469 1009685641 /nfs/dbraw/zinc/68/56/41/1009685641.db2.gz MCVIFIPXRKSIGY-JTQLQIEISA-N -1 1 317.349 0.709 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CO[C@@H](C2CC2)C1 ZINC001434245922 1009694976 /nfs/dbraw/zinc/69/49/76/1009694976.db2.gz FQGCWHUDTJEPFR-ZYHUDNBSSA-N -1 1 305.334 0.201 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CC(C)(C)CC[C@H]1O ZINC001434276373 1009715231 /nfs/dbraw/zinc/71/52/31/1009715231.db2.gz WUTCDGCCIABEGY-HTQZYQBOSA-N -1 1 311.338 0.566 20 0 DCADMM COc1ccc(C(=O)NCCN(C)C(=O)c2ncccc2[O-])o1 ZINC001455420065 1009723157 /nfs/dbraw/zinc/72/31/57/1009723157.db2.gz YMKCPRILGSVEOY-UHFFFAOYSA-N -1 1 319.317 0.891 20 0 DCADMM CC(=O)N[C@H](CCC(C)C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001434303255 1009739745 /nfs/dbraw/zinc/73/97/45/1009739745.db2.gz XQQZFAQQYHPKRT-CYBMUJFWSA-N -1 1 322.413 0.847 20 0 DCADMM Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2nn[n-]n2)no1 ZINC001434314837 1009750920 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COC[C@@H](NC(=O)CSC[C@H]1CCCCO1)c1nn[n-]n1 ZINC001434364072 1009836590 /nfs/dbraw/zinc/83/65/90/1009836590.db2.gz OZGHFKCTTRNQIU-NXEZZACHSA-N -1 1 315.399 0.306 20 0 DCADMM CSc1ncc(C(=O)NCc2coc(CN(C)C)n2)c(=O)[n-]1 ZINC001434385330 1009874719 /nfs/dbraw/zinc/87/47/19/1009874719.db2.gz BQFSEVZWYJUNFY-UHFFFAOYSA-N -1 1 323.378 0.884 20 0 DCADMM COC[C@H](NC(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1)c1nn[n-]n1 ZINC001455730544 1009934644 /nfs/dbraw/zinc/93/46/44/1009934644.db2.gz SCOVYBIGIOALEZ-DRZSPHRISA-N -1 1 319.365 0.476 20 0 DCADMM Cc1cccc(C)c1C(=O)NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1 ZINC001422370788 1009966836 /nfs/dbraw/zinc/96/68/36/1009966836.db2.gz PDDBGPBCQDEQSV-NSHDSACASA-N -1 1 319.365 0.008 20 0 DCADMM COC(=O)CC1([N-]S(=O)(=O)N=S2(=O)CCCC2)CCC1 ZINC001434551924 1010079688 /nfs/dbraw/zinc/07/96/88/1010079688.db2.gz HHLNATMUAWAFAM-UHFFFAOYSA-N -1 1 324.424 0.568 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)N[C@H](C)C(=O)NCCF)c1 ZINC001434562602 1010093380 /nfs/dbraw/zinc/09/33/80/1010093380.db2.gz 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DCADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)OC)[n-]n2)C1 ZINC001475374327 1017099129 /nfs/dbraw/zinc/09/91/29/1017099129.db2.gz VEKORMFLLSWUDE-OCAPTIKFSA-N -1 1 303.340 0.042 20 0 DCADMM CCCOCC(=O)N1CC([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001509417600 1017298212 /nfs/dbraw/zinc/29/82/12/1017298212.db2.gz PUIBCRNVRRZXNG-LLVKDONJSA-N -1 1 321.377 0.791 20 0 DCADMM C[S@@](=O)C[C@H](NC(=O)CCc1nn[n-]n1)c1ccccc1 ZINC001443995248 1010794423 /nfs/dbraw/zinc/79/44/23/1010794423.db2.gz LGUUKRBVPPHVAV-WIUDPPPLSA-N -1 1 307.379 0.368 20 0 DCADMM Cc1ccoc1C(=O)NC[C@@H](CO)NC(=O)c1ncccc1[O-] ZINC001444086252 1010846480 /nfs/dbraw/zinc/84/64/80/1010846480.db2.gz BHTLMQQPAKGEGX-JTQLQIEISA-N -1 1 319.317 0.209 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)[C@H](C)CNCc2ccn(C)n2)c1[O-] ZINC001444585265 1011076064 /nfs/dbraw/zinc/07/60/64/1011076064.db2.gz NRWATXOWUWPMEY-SECBINFHSA-N -1 1 306.370 0.408 20 0 DCADMM CCO[C@@H](C(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001423452892 1011159490 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/nfs/dbraw/zinc/11/01/29/607110129.db2.gz VPIOBPLZAQHQRD-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM NC(=O)c1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)s1 ZINC000822880622 607110130 /nfs/dbraw/zinc/11/01/30/607110130.db2.gz VPIOBPLZAQHQRD-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM Cc1ccc2c(c1)CCCN2C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822280691 607206587 /nfs/dbraw/zinc/20/65/87/607206587.db2.gz WIFGQFOAIHFCAD-UHFFFAOYSA-N -1 1 324.348 0.746 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@@H]1c1ccccc1 ZINC000823123095 607208366 /nfs/dbraw/zinc/20/83/66/607208366.db2.gz NOHOTPXFIUAUHB-LLVKDONJSA-N -1 1 310.321 0.432 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Cl)c(F)c1 ZINC000823132083 607208401 /nfs/dbraw/zinc/20/84/01/607208401.db2.gz YWLIJLLEPDOJAX-UHFFFAOYSA-N -1 1 322.691 0.889 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1CCCCCCC1 ZINC000823127129 607209806 /nfs/dbraw/zinc/20/98/06/607209806.db2.gz UGHXEIPWDVBUHQ-UHFFFAOYSA-N -1 1 318.385 0.935 20 0 DCADMM CC1(C)OC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)O1 ZINC000820607158 607218230 /nfs/dbraw/zinc/21/82/30/607218230.db2.gz KQMSNLKTIBEQIW-VIFPVBQESA-N -1 1 304.310 0.143 20 0 DCADMM CC1(C)OC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)O1 ZINC000820607158 607218231 /nfs/dbraw/zinc/21/82/31/607218231.db2.gz KQMSNLKTIBEQIW-VIFPVBQESA-N -1 1 304.310 0.143 20 0 DCADMM O=C(NCCSCCCO)c1ccc(-c2nnn[n-]2)s1 ZINC000823219927 607219235 /nfs/dbraw/zinc/21/92/35/607219235.db2.gz SSLSFMGDGZEWML-UHFFFAOYSA-N -1 1 313.408 0.774 20 0 DCADMM O=C(NCCSCCCO)c1ccc(-c2nn[n-]n2)s1 ZINC000823219927 607219236 /nfs/dbraw/zinc/21/92/36/607219236.db2.gz SSLSFMGDGZEWML-UHFFFAOYSA-N -1 1 313.408 0.774 20 0 DCADMM Cc1cc(Cl)ncc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822202318 607224404 /nfs/dbraw/zinc/22/44/04/607224404.db2.gz VLQJDDCACMIPJY-UHFFFAOYSA-N -1 1 319.716 0.454 20 0 DCADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821014505 607225022 /nfs/dbraw/zinc/22/50/22/607225022.db2.gz IBKMVCYESMJPMK-QWRGUYRKSA-N -1 1 318.385 0.885 20 0 DCADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC000826493261 607867904 /nfs/dbraw/zinc/86/79/04/607867904.db2.gz BNWARZDITKBBQG-SSDOTTSWSA-N -1 1 314.298 0.503 20 0 DCADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000826493261 607867905 /nfs/dbraw/zinc/86/79/05/607867905.db2.gz BNWARZDITKBBQG-SSDOTTSWSA-N -1 1 314.298 0.503 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cn[nH]c1 ZINC000824505499 607960702 /nfs/dbraw/zinc/96/07/02/607960702.db2.gz FDHKINODDZEKQQ-LURJTMIESA-N -1 1 302.302 0.206 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cn[nH]c1 ZINC000824505499 607960703 /nfs/dbraw/zinc/96/07/03/607960703.db2.gz FDHKINODDZEKQQ-LURJTMIESA-N -1 1 302.302 0.206 20 0 DCADMM c1c(CCNc2ccc(-c3nnn[n-]3)nn2)nc2ccccn12 ZINC000826524734 607988953 /nfs/dbraw/zinc/98/89/53/607988953.db2.gz HYVCUVUGQRUPMM-UHFFFAOYSA-N -1 1 307.321 0.959 20 0 DCADMM c1c(CCNc2ccc(-c3nn[n-]n3)nn2)nc2ccccn12 ZINC000826524734 607988954 /nfs/dbraw/zinc/98/89/54/607988954.db2.gz HYVCUVUGQRUPMM-UHFFFAOYSA-N -1 1 307.321 0.959 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cncc2ccccc21 ZINC000826425434 608005128 /nfs/dbraw/zinc/00/51/28/608005128.db2.gz CXIBDGXVQQDABH-UHFFFAOYSA-N -1 1 321.304 0.645 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(F)cc1F ZINC000826424789 608013161 /nfs/dbraw/zinc/01/31/61/608013161.db2.gz CVJABQDJLYJCEQ-UHFFFAOYSA-N -1 1 305.248 0.980 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(F)cc1F ZINC000826424789 608013162 /nfs/dbraw/zinc/01/31/62/608013162.db2.gz CVJABQDJLYJCEQ-UHFFFAOYSA-N -1 1 305.248 0.980 20 0 DCADMM CCOC(=O)C(C)(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825485983 608101842 /nfs/dbraw/zinc/10/18/42/608101842.db2.gz LARKDGBNOFYPNP-UHFFFAOYSA-N -1 1 319.321 0.894 20 0 DCADMM CCOC(=O)C(C)(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825485983 608101843 /nfs/dbraw/zinc/10/18/43/608101843.db2.gz LARKDGBNOFYPNP-UHFFFAOYSA-N -1 1 319.321 0.894 20 0 DCADMM O=C1OCC[C@H]2CN(Cc3ccnc(-c4nn[n-]n4)c3)CCN12 ZINC000826483405 608170216 /nfs/dbraw/zinc/17/02/16/608170216.db2.gz MNKFVLJNUFCPJR-NSHDSACASA-N -1 1 315.337 0.288 20 0 DCADMM O=C(N[C@H](CO)CC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826426118 608183317 /nfs/dbraw/zinc/18/33/17/608183317.db2.gz FYFQCHSVSSKGCH-YFKPBYRVSA-N -1 1 321.284 0.971 20 0 DCADMM Cn1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)n1 ZINC000826363539 608219104 /nfs/dbraw/zinc/21/91/04/608219104.db2.gz RDPYTPSGNJDSAX-UHFFFAOYSA-N -1 1 307.317 0.963 20 0 DCADMM Cn1nnnc1CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826366851 608239739 /nfs/dbraw/zinc/23/97/39/608239739.db2.gz APYQRTKOIKLUML-UHFFFAOYSA-N -1 1 306.721 0.093 20 0 DCADMM Cn1nnnc1CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826366851 608239740 /nfs/dbraw/zinc/23/97/40/608239740.db2.gz APYQRTKOIKLUML-UHFFFAOYSA-N -1 1 306.721 0.093 20 0 DCADMM CC(C)(CCCO)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824152387 608278068 /nfs/dbraw/zinc/27/80/68/608278068.db2.gz DKDZEULAWIZQMW-UHFFFAOYSA-N -1 1 304.354 0.790 20 0 DCADMM CC(C)(CCCO)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824152387 608278069 /nfs/dbraw/zinc/27/80/69/608278069.db2.gz DKDZEULAWIZQMW-UHFFFAOYSA-N -1 1 304.354 0.790 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCOC3(CCC3)C2)n1 ZINC000826357024 608306765 /nfs/dbraw/zinc/30/67/65/608306765.db2.gz OGKRNYOVPCDUNL-UHFFFAOYSA-N -1 1 318.341 0.387 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCOC3(CCC3)C2)n1 ZINC000826357024 608306767 /nfs/dbraw/zinc/30/67/67/608306767.db2.gz OGKRNYOVPCDUNL-UHFFFAOYSA-N -1 1 318.341 0.387 20 0 DCADMM O=C(CCNc1ccc(-c2nnn[n-]2)nn1)N1CCCCCC1 ZINC000826408081 608408596 /nfs/dbraw/zinc/40/85/96/608408596.db2.gz OYKLZWHGWBOIOO-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C(CCNc1ccc(-c2nn[n-]n2)nn1)N1CCCCCC1 ZINC000826408081 608408597 /nfs/dbraw/zinc/40/85/97/608408597.db2.gz OYKLZWHGWBOIOO-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825210439 608436785 /nfs/dbraw/zinc/43/67/85/608436785.db2.gz HCQDSMXDCQIWNC-QWRGUYRKSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825210439 608436786 /nfs/dbraw/zinc/43/67/86/608436786.db2.gz HCQDSMXDCQIWNC-QWRGUYRKSA-N -1 1 316.369 0.716 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(CC(N)=O)CC1 ZINC000826280229 608542441 /nfs/dbraw/zinc/54/24/41/608542441.db2.gz SRGQZKVEPPHKTO-UHFFFAOYSA-N -1 1 301.354 0.662 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1=CCCC1 ZINC000825923272 608560422 /nfs/dbraw/zinc/56/04/22/608560422.db2.gz FHNPEUHUGPTUEC-UHFFFAOYSA-N -1 1 316.369 0.673 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1=CCCC1 ZINC000825923272 608560424 /nfs/dbraw/zinc/56/04/24/608560424.db2.gz FHNPEUHUGPTUEC-UHFFFAOYSA-N -1 1 316.369 0.673 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)[C@@H]2CCCOC2)c1-c1nnn[n-]1 ZINC000826345507 609264356 /nfs/dbraw/zinc/26/43/56/609264356.db2.gz MRNJYBJSOABVIF-WCBMZHEXSA-N -1 1 320.353 0.637 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000826345507 609264357 /nfs/dbraw/zinc/26/43/57/609264357.db2.gz MRNJYBJSOABVIF-WCBMZHEXSA-N -1 1 320.353 0.637 20 0 DCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826467461 609623515 /nfs/dbraw/zinc/62/35/15/609623515.db2.gz XDTAVPJPFWLJBW-YUSALJHKSA-N -1 1 301.306 0.730 20 0 DCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826467461 609623516 /nfs/dbraw/zinc/62/35/16/609623516.db2.gz XDTAVPJPFWLJBW-YUSALJHKSA-N -1 1 301.306 0.730 20 0 DCADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CNCCC1(F)F ZINC000866769362 667396513 /nfs/dbraw/zinc/39/65/13/667396513.db2.gz LDDFHNOBYDSGEM-MRVPVSSYSA-N -1 1 319.399 0.326 20 0 DCADMM COCc1nc(N2CCC3(CCN(C)C3=O)CC2)cc(=O)[n-]1 ZINC000893532974 660476009 /nfs/dbraw/zinc/47/60/09/660476009.db2.gz ZSGQNGLUIBVGTK-UHFFFAOYSA-N -1 1 306.366 0.777 20 0 DCADMM CN(CCF)[C@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001027606530 660514329 /nfs/dbraw/zinc/51/43/29/660514329.db2.gz HBSXPFMLYMZWIP-NSHDSACASA-N -1 1 321.356 0.529 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)C2(C)CC2)CCO1 ZINC000979303991 660706144 /nfs/dbraw/zinc/70/61/44/660706144.db2.gz PQFGMTLXVJXMHQ-UWVGGRQHSA-N -1 1 309.370 0.016 20 0 DCADMM CC(=O)NC[C@H]1C[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000979386101 660735366 /nfs/dbraw/zinc/73/53/66/660735366.db2.gz QJOXNBCRXBVPMF-HOMQSWHASA-N -1 1 304.350 0.704 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)CC2(C)CC2)CCO1 ZINC000979387180 660735676 /nfs/dbraw/zinc/73/56/76/660735676.db2.gz YFQJGNATGODWAK-QWRGUYRKSA-N -1 1 323.397 0.406 20 0 DCADMM Cn1cc(CN2CCC[C@@H]2CNC(=O)c2ncccc2[O-])cn1 ZINC001027843798 660827172 /nfs/dbraw/zinc/82/71/72/660827172.db2.gz HSLQILMKSXXVQZ-CYBMUJFWSA-N -1 1 315.377 0.915 20 0 DCADMM CNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001027844295 660828970 /nfs/dbraw/zinc/82/89/70/660828970.db2.gz POIWDFVGYLWCID-QWRGUYRKSA-N -1 1 306.366 0.116 20 0 DCADMM O=C(NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)c1cnco1 ZINC000980064945 660860936 /nfs/dbraw/zinc/86/09/36/660860936.db2.gz NJOGZQOTKJISCD-MGCOHNPYSA-N -1 1 316.317 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DCADMM C[C@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1C[C@@H]1C ZINC001574813839 1163759053 /nfs/dbraw/zinc/75/90/53/1163759053.db2.gz QOOFTQZEYWNRKT-AEJSXWLSSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1C[C@@H]1C ZINC001574813839 1163759058 /nfs/dbraw/zinc/75/90/58/1163759058.db2.gz QOOFTQZEYWNRKT-AEJSXWLSSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CNC(=O)C1=CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574854070 1163771862 /nfs/dbraw/zinc/77/18/62/1163771862.db2.gz HGUXDMLMARFJLT-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H](CNC(=O)C1=CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574854070 1163771866 /nfs/dbraw/zinc/77/18/66/1163771866.db2.gz HGUXDMLMARFJLT-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNC(=O)C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574861709 1163775116 /nfs/dbraw/zinc/77/51/16/1163775116.db2.gz MWXOGTOIJBNCRE-MRVPVSSYSA-N -1 1 302.342 0.008 20 0 DCADMM C[C@H](CNC(=O)C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574861709 1163775123 /nfs/dbraw/zinc/77/51/23/1163775123.db2.gz MWXOGTOIJBNCRE-MRVPVSSYSA-N -1 1 302.342 0.008 20 0 DCADMM C[C@@H](CNC(=O)C1CC=CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574863492 1163776705 /nfs/dbraw/zinc/77/67/05/1163776705.db2.gz JJHYGNIWZHQOHX-VIFPVBQESA-N -1 1 314.353 0.540 20 0 DCADMM C[C@@H](CNC(=O)C1CC=CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574863492 1163776708 /nfs/dbraw/zinc/77/67/08/1163776708.db2.gz JJHYGNIWZHQOHX-VIFPVBQESA-N -1 1 314.353 0.540 20 0 DCADMM C[C@H](CNC(=O)CC1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574896090 1163789390 /nfs/dbraw/zinc/78/93/90/1163789390.db2.gz VTGYNOYHXXUSNR-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CNC(=O)CC1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574896090 1163789399 /nfs/dbraw/zinc/78/93/99/1163789399.db2.gz VTGYNOYHXXUSNR-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CNC(=O)CC1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574894676 1163789901 /nfs/dbraw/zinc/78/99/01/1163789901.db2.gz LCNUWMRQROXUDL-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CNC(=O)CC1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574894676 1163789905 /nfs/dbraw/zinc/78/99/05/1163789905.db2.gz LCNUWMRQROXUDL-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)CC1(C)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574896589 1163790632 /nfs/dbraw/zinc/79/06/32/1163790632.db2.gz ZPCAMCNKEHFLNA-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)CC1(C)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574896589 1163790635 /nfs/dbraw/zinc/79/06/35/1163790635.db2.gz ZPCAMCNKEHFLNA-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM O=C(NCCNC(=O)C1CC=CC1)c1cnc(C2CC2)[n-]c1=O ZINC001574986696 1163834978 /nfs/dbraw/zinc/83/49/78/1163834978.db2.gz YAYCMRFLGFNGEF-UHFFFAOYSA-N -1 1 316.361 0.872 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C1N=NC(=O)N1C ZINC001575330278 1163978105 /nfs/dbraw/zinc/97/81/05/1163978105.db2.gz JXJLUJLVJRVCRY-YFKPBYRVSA-N -1 1 320.338 0.253 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1N=NC(=O)N1C ZINC001575330278 1163978112 /nfs/dbraw/zinc/97/81/12/1163978112.db2.gz JXJLUJLVJRVCRY-YFKPBYRVSA-N -1 1 320.338 0.253 20 0 DCADMM CC1CC(C(=O)N(C)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001575947195 1164191535 /nfs/dbraw/zinc/19/15/35/1164191535.db2.gz XFURACKGVYVANY-UHFFFAOYSA-N -1 1 316.369 0.573 20 0 DCADMM CC1CC(C(=O)N(C)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001575947195 1164191538 /nfs/dbraw/zinc/19/15/38/1164191538.db2.gz XFURACKGVYVANY-UHFFFAOYSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CC(C)C1 ZINC001575964877 1164196954 /nfs/dbraw/zinc/19/69/54/1164196954.db2.gz FSMJLJJAPGREAZ-KYHHOPLUSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC(C)C1 ZINC001575964877 1164196958 /nfs/dbraw/zinc/19/69/58/1164196958.db2.gz FSMJLJJAPGREAZ-KYHHOPLUSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576079736 1164234504 /nfs/dbraw/zinc/23/45/04/1164234504.db2.gz YOIMWEIUMSESKZ-ZJUUUORDSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576079736 1164234513 /nfs/dbraw/zinc/23/45/13/1164234513.db2.gz YOIMWEIUMSESKZ-ZJUUUORDSA-N -1 1 316.369 0.207 20 0 DCADMM CCC(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001576415246 1164333935 /nfs/dbraw/zinc/33/39/35/1164333935.db2.gz NPYNSYZKINZXBA-UHFFFAOYSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001576415246 1164333938 /nfs/dbraw/zinc/33/39/38/1164333938.db2.gz NPYNSYZKINZXBA-UHFFFAOYSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001576420144 1164337442 /nfs/dbraw/zinc/33/74/42/1164337442.db2.gz IWHDMCXGUSBVTB-SECBINFHSA-N -1 1 318.341 0.319 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001576420144 1164337448 /nfs/dbraw/zinc/33/74/48/1164337448.db2.gz IWHDMCXGUSBVTB-SECBINFHSA-N -1 1 318.341 0.319 20 0 DCADMM CCC(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001576420970 1164338855 /nfs/dbraw/zinc/33/88/55/1164338855.db2.gz KMERHMJMBFQRGI-GXSJLCMTSA-N -1 1 314.353 0.104 20 0 DCADMM CCC(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001576420970 1164338858 /nfs/dbraw/zinc/33/88/58/1164338858.db2.gz KMERHMJMBFQRGI-GXSJLCMTSA-N -1 1 314.353 0.104 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576441273 1164345272 /nfs/dbraw/zinc/34/52/72/1164345272.db2.gz WJZDWZJWQUWTPK-NXEZZACHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576441273 1164345280 /nfs/dbraw/zinc/34/52/80/1164345280.db2.gz WJZDWZJWQUWTPK-NXEZZACHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001576444696 1164347281 /nfs/dbraw/zinc/34/72/81/1164347281.db2.gz KXFRWJGTUUCUDP-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001576444696 1164347285 /nfs/dbraw/zinc/34/72/85/1164347285.db2.gz KXFRWJGTUUCUDP-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001576487078 1164362048 /nfs/dbraw/zinc/36/20/48/1164362048.db2.gz LADFGOVWNSVQLF-SECBINFHSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001576487078 1164362054 /nfs/dbraw/zinc/36/20/54/1164362054.db2.gz LADFGOVWNSVQLF-SECBINFHSA-N -1 1 302.342 0.152 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001576580728 1164404172 /nfs/dbraw/zinc/40/41/72/1164404172.db2.gz CYPQNCOUYPNEDN-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001576580728 1164404177 /nfs/dbraw/zinc/40/41/77/1164404177.db2.gz CYPQNCOUYPNEDN-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576607984 1164410114 /nfs/dbraw/zinc/41/01/14/1164410114.db2.gz YBRRTXWUGXHFBP-GUBZILKMSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576607984 1164410118 /nfs/dbraw/zinc/41/01/18/1164410118.db2.gz YBRRTXWUGXHFBP-GUBZILKMSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576923559 1164534648 /nfs/dbraw/zinc/53/46/48/1164534648.db2.gz DIHPFMBZKLVQMY-BDAKNGLRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576923559 1164534651 /nfs/dbraw/zinc/53/46/51/1164534651.db2.gz DIHPFMBZKLVQMY-BDAKNGLRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576927797 1164537143 /nfs/dbraw/zinc/53/71/43/1164537143.db2.gz XMNRBEGZFNFALO-BDAKNGLRSA-N -1 1 322.348 0.086 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576942457 1164548157 /nfs/dbraw/zinc/54/81/57/1164548157.db2.gz QJBJHWKGBWRLTQ-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576942457 1164548163 /nfs/dbraw/zinc/54/81/63/1164548163.db2.gz QJBJHWKGBWRLTQ-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576965641 1164560935 /nfs/dbraw/zinc/56/09/35/1164560935.db2.gz LECSJHFUAFQFEP-HRDYMLBCSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576965641 1164560941 /nfs/dbraw/zinc/56/09/41/1164560941.db2.gz LECSJHFUAFQFEP-HRDYMLBCSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576969216 1164561690 /nfs/dbraw/zinc/56/16/90/1164561690.db2.gz MMRNKKFFNGLLJF-IWSPIJDZSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576969216 1164561692 /nfs/dbraw/zinc/56/16/92/1164561692.db2.gz MMRNKKFFNGLLJF-IWSPIJDZSA-N -1 1 320.332 0.464 20 0 DCADMM CCC1(C(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001577097776 1164601524 /nfs/dbraw/zinc/60/15/24/1164601524.db2.gz MPYKLKREBNHJLF-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCC1(C(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001577097776 1164601528 /nfs/dbraw/zinc/60/15/28/1164601528.db2.gz MPYKLKREBNHJLF-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577185585 1164628281 /nfs/dbraw/zinc/62/82/81/1164628281.db2.gz WJXHYIOIFHSEQS-UHFFFAOYSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577185585 1164628284 /nfs/dbraw/zinc/62/82/84/1164628284.db2.gz WJXHYIOIFHSEQS-UHFFFAOYSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577190204 1164629612 /nfs/dbraw/zinc/62/96/12/1164629612.db2.gz DZIJEYGBIFXSBJ-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577190204 1164629615 /nfs/dbraw/zinc/62/96/15/1164629615.db2.gz DZIJEYGBIFXSBJ-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001577194724 1164629706 /nfs/dbraw/zinc/62/97/06/1164629706.db2.gz NSMLDXMJYGOZHB-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001577194724 1164629710 /nfs/dbraw/zinc/62/97/10/1164629710.db2.gz NSMLDXMJYGOZHB-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577210800 1164636845 /nfs/dbraw/zinc/63/68/45/1164636845.db2.gz MOVAYWDJIFUKLQ-VIFPVBQESA-N -1 1 302.342 0.152 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577210800 1164636846 /nfs/dbraw/zinc/63/68/46/1164636846.db2.gz MOVAYWDJIFUKLQ-VIFPVBQESA-N -1 1 302.342 0.152 20 0 DCADMM CCCCC(=O)NCCN(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001577424961 1164689469 /nfs/dbraw/zinc/68/94/69/1164689469.db2.gz MPBWVRVUTGGNJS-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577425867 1164690114 /nfs/dbraw/zinc/69/01/14/1164690114.db2.gz DBDICTKFTXFPSM-AOOOYVTPSA-N -1 1 316.369 0.906 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577425867 1164690119 /nfs/dbraw/zinc/69/01/19/1164690119.db2.gz DBDICTKFTXFPSM-AOOOYVTPSA-N -1 1 316.369 0.906 20 0 DCADMM CCCNC(=O)[C@@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001577675887 1164762665 /nfs/dbraw/zinc/76/26/65/1164762665.db2.gz GXUOXDYZGXQZKW-MRVPVSSYSA-N -1 1 318.341 0.298 20 0 DCADMM CCCNC(=O)[C@@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001577675887 1164762676 /nfs/dbraw/zinc/76/26/76/1164762676.db2.gz GXUOXDYZGXQZKW-MRVPVSSYSA-N -1 1 318.341 0.298 20 0 DCADMM CCN(CCCNC(=O)C1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001577912403 1164836345 /nfs/dbraw/zinc/83/63/45/1164836345.db2.gz XQPBMOFZOQFVPI-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)CC1CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001577957307 1164864165 /nfs/dbraw/zinc/86/41/65/1164864165.db2.gz AEJBZPQFYCKKSO-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)CC1CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001577957307 1164864172 /nfs/dbraw/zinc/86/41/72/1164864172.db2.gz AEJBZPQFYCKKSO-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCO[C@@H]1COCC[C@@H]1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001578341300 1164976772 /nfs/dbraw/zinc/97/67/72/1164976772.db2.gz QWRXXWOOLYTKAB-PSASIEDQSA-N -1 1 321.341 0.360 20 0 DCADMM CCO[C@@H]1COCC[C@@H]1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001578341300 1164976776 /nfs/dbraw/zinc/97/67/76/1164976776.db2.gz QWRXXWOOLYTKAB-PSASIEDQSA-N -1 1 321.341 0.360 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001578434749 1165015636 /nfs/dbraw/zinc/01/56/36/1165015636.db2.gz QRYQQOCBRXTSGA-IVZWLZJFSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001578434749 1165015642 /nfs/dbraw/zinc/01/56/42/1165015642.db2.gz QRYQQOCBRXTSGA-IVZWLZJFSA-N -1 1 316.369 0.619 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(CCNC(C)=O)C2CC2)n1 ZINC001578577044 1165064174 /nfs/dbraw/zinc/06/41/74/1165064174.db2.gz LSELOAIAXNYTHO-UHFFFAOYSA-N -1 1 316.369 0.324 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(CCNC(C)=O)C2CC2)n1 ZINC001578577044 1165064177 /nfs/dbraw/zinc/06/41/77/1165064177.db2.gz LSELOAIAXNYTHO-UHFFFAOYSA-N -1 1 316.369 0.324 20 0 DCADMM CCc1nc(NC[C@H](NC(C)=O)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001578651254 1165080245 /nfs/dbraw/zinc/08/02/45/1165080245.db2.gz KAXAJLVLLBXGRQ-NSHDSACASA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(NC[C@H](NC(C)=O)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001578651254 1165080254 /nfs/dbraw/zinc/08/02/54/1165080254.db2.gz KAXAJLVLLBXGRQ-NSHDSACASA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(N[C@H]2CCCN(C(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001578673889 1165085181 /nfs/dbraw/zinc/08/51/81/1165085181.db2.gz XDEFCSFQLOFCQQ-JTQLQIEISA-N -1 1 316.369 0.642 20 0 DCADMM CCc1nc(N[C@H]2CCCN(C(C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001578673889 1165085188 /nfs/dbraw/zinc/08/51/88/1165085188.db2.gz XDEFCSFQLOFCQQ-JTQLQIEISA-N -1 1 316.369 0.642 20 0 DCADMM CCn1nc(C)c(C(=O)Nc2snc(C)c2-c2nnn[n-]2)n1 ZINC001578806694 1165121722 /nfs/dbraw/zinc/12/17/22/1165121722.db2.gz ZYLHJVYQMLCFEM-UHFFFAOYSA-N -1 1 319.354 0.804 20 0 DCADMM CCn1nc(C)c(C(=O)Nc2snc(C)c2-c2nn[n-]n2)n1 ZINC001578806694 1165121733 /nfs/dbraw/zinc/12/17/33/1165121733.db2.gz ZYLHJVYQMLCFEM-UHFFFAOYSA-N -1 1 319.354 0.804 20 0 DCADMM CN(C(=O)C1CC1)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001578848999 1165139292 /nfs/dbraw/zinc/13/92/92/1165139292.db2.gz YFJRPOQTQWJLJJ-UHFFFAOYSA-N -1 1 314.353 0.468 20 0 DCADMM CN(C(=O)C1CC1)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001578848999 1165139296 /nfs/dbraw/zinc/13/92/96/1165139296.db2.gz YFJRPOQTQWJLJJ-UHFFFAOYSA-N -1 1 314.353 0.468 20 0 DCADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)C1CCS(=O)CC1 ZINC001578927018 1165161322 /nfs/dbraw/zinc/16/13/22/1165161322.db2.gz VPEJGUMWECVYBJ-UHFFFAOYSA-N -1 1 320.378 0.245 20 0 DCADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)C1CCS(=O)CC1 ZINC001578927018 1165161324 /nfs/dbraw/zinc/16/13/24/1165161324.db2.gz VPEJGUMWECVYBJ-UHFFFAOYSA-N -1 1 320.378 0.245 20 0 DCADMM CN(C)C(=O)c1c[nH]nc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001578962028 1165171304 /nfs/dbraw/zinc/17/13/04/1165171304.db2.gz BTHWAPSYLQPDTM-UHFFFAOYSA-N -1 1 316.281 0.137 20 0 DCADMM CN(C)c1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001578999315 1165183456 /nfs/dbraw/zinc/18/34/56/1165183456.db2.gz XGAMMIVETNKVKJ-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(C)c1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001578999315 1165183459 /nfs/dbraw/zinc/18/34/59/1165183459.db2.gz XGAMMIVETNKVKJ-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(C)c1nccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001579001131 1165185679 /nfs/dbraw/zinc/18/56/79/1165185679.db2.gz KDZLXCABKRYXIT-UHFFFAOYSA-N -1 1 314.309 0.246 20 0 DCADMM CN(C)c1nccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001579001131 1165185683 /nfs/dbraw/zinc/18/56/83/1165185683.db2.gz KDZLXCABKRYXIT-UHFFFAOYSA-N -1 1 314.309 0.246 20 0 DCADMM CN(CC1(CO)CC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579063797 1165197419 /nfs/dbraw/zinc/19/74/19/1165197419.db2.gz LUYKGPNBNPFOAT-UHFFFAOYSA-N -1 1 322.394 0.842 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC001579227110 1165245393 /nfs/dbraw/zinc/24/53/93/1165245393.db2.gz RISNJFLODQHDPJ-UHFFFAOYSA-N -1 1 324.348 0.841 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC001579227110 1165245401 /nfs/dbraw/zinc/24/54/01/1165245401.db2.gz RISNJFLODQHDPJ-UHFFFAOYSA-N -1 1 324.348 0.841 20 0 DCADMM CN1C(=O)CCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579299849 1165263324 /nfs/dbraw/zinc/26/33/24/1165263324.db2.gz RJYHYYUSGKLJGH-VIFPVBQESA-N -1 1 320.378 0.555 20 0 DCADMM COC(=O)Cn1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001579453831 1165315773 /nfs/dbraw/zinc/31/57/73/1165315773.db2.gz ZMGDVKNQDVLBKX-UHFFFAOYSA-N -1 1 317.265 0.082 20 0 DCADMM COC(=O)Cn1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001579453831 1165315777 /nfs/dbraw/zinc/31/57/77/1165315777.db2.gz ZMGDVKNQDVLBKX-UHFFFAOYSA-N -1 1 317.265 0.082 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1cc(-c3nnn[n-]3)nc(C)n1)C2 ZINC001579472669 1165322182 /nfs/dbraw/zinc/32/21/82/1165322182.db2.gz CJXBICBTANNMBV-ITMYJUKJSA-N -1 1 315.337 0.719 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1cc(-c3nn[n-]n3)nc(C)n1)C2 ZINC001579472669 1165322188 /nfs/dbraw/zinc/32/21/88/1165322188.db2.gz CJXBICBTANNMBV-ITMYJUKJSA-N -1 1 315.337 0.719 20 0 DCADMM COC(=O)c1cc(Cn2cnc(-c3nn[n-]n3)cc2=O)cs1 ZINC001579479495 1165326462 /nfs/dbraw/zinc/32/64/62/1165326462.db2.gz LOFCNLKEVAXLGU-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCNC[C@H]3C)cc2=O)n1 ZINC001579586947 1165352259 /nfs/dbraw/zinc/35/22/59/1165352259.db2.gz AYBCUJCPKXSJLZ-LLVKDONJSA-N -1 1 316.365 0.006 20 0 DCADMM CO[C@H]1COCC[C@@H]1CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001579618155 1165361825 /nfs/dbraw/zinc/36/18/25/1165361825.db2.gz IYQCHMCBCWEZBV-BDAKNGLRSA-N -1 1 321.341 0.278 20 0 DCADMM COC[C@](C)(CC(=O)OC)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579659317 1165373021 /nfs/dbraw/zinc/37/30/21/1165373021.db2.gz FRMBVXXDISYXLS-ZDUSSCGKSA-N -1 1 323.309 0.158 20 0 DCADMM COC[C@](C)(CC(=O)OC)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579659317 1165373025 /nfs/dbraw/zinc/37/30/25/1165373025.db2.gz FRMBVXXDISYXLS-ZDUSSCGKSA-N -1 1 323.309 0.158 20 0 DCADMM COC[C@H](C)S(=O)(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579697804 1165378915 /nfs/dbraw/zinc/37/89/15/1165378915.db2.gz RFCWXMLTELBHDZ-ZETCQYMHSA-N -1 1 317.396 0.383 20 0 DCADMM COc1ccc(C=O)cc1Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001579990765 1165463849 /nfs/dbraw/zinc/46/38/49/1165463849.db2.gz HDDKUQYDZKFSDZ-UHFFFAOYSA-N -1 1 311.301 0.898 20 0 DCADMM COc1cn(C)nc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001580100397 1165502923 /nfs/dbraw/zinc/50/29/23/1165502923.db2.gz PNCGHKCLNPNZDC-SSDOTTSWSA-N -1 1 317.309 0.693 20 0 DCADMM COc1cn(C)nc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001580100397 1165502930 /nfs/dbraw/zinc/50/29/30/1165502930.db2.gz PNCGHKCLNPNZDC-SSDOTTSWSA-N -1 1 317.309 0.693 20 0 DCADMM COc1ncc(NC(=O)N[C@@H](C)C[C@@H](C)O)cc1-c1nn[n-]n1 ZINC001580135833 1165514459 /nfs/dbraw/zinc/51/44/59/1165514459.db2.gz CCPORBVZARYIOF-JGVFFNPUSA-N -1 1 321.341 0.551 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001580187547 1165531141 /nfs/dbraw/zinc/53/11/41/1165531141.db2.gz HTFGLDQICXCMSX-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001580187547 1165531149 /nfs/dbraw/zinc/53/11/49/1165531149.db2.gz HTFGLDQICXCMSX-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CC1(F)F ZINC001580300311 1165563107 /nfs/dbraw/zinc/56/31/07/1165563107.db2.gz OYLCDEWBKWVIEJ-NKWVEPMBSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CC1(F)F ZINC001580300311 1165563112 /nfs/dbraw/zinc/56/31/12/1165563112.db2.gz OYLCDEWBKWVIEJ-NKWVEPMBSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001580367856 1165587010 /nfs/dbraw/zinc/58/70/10/1165587010.db2.gz SWKMAGUVIXTUJW-OPRDCNLKSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001580367856 1165587019 /nfs/dbraw/zinc/58/70/19/1165587019.db2.gz SWKMAGUVIXTUJW-OPRDCNLKSA-N -1 1 314.353 0.008 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](CCO)C(C)C ZINC001580601241 1165651316 /nfs/dbraw/zinc/65/13/16/1165651316.db2.gz KUUYIOZDKJZFPB-JTQLQIEISA-N -1 1 320.353 0.413 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC001580604237 1165653182 /nfs/dbraw/zinc/65/31/82/1165653182.db2.gz OZHBKKISDZDUSW-BDAKNGLRSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1n[nH]cc1CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001580605831 1165654849 /nfs/dbraw/zinc/65/48/49/1165654849.db2.gz LCLMKUOQMIZMOS-UHFFFAOYSA-N -1 1 314.309 0.237 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H](C)CNC(=O)C(C)C)n1 ZINC001580630874 1165666884 /nfs/dbraw/zinc/66/68/84/1165666884.db2.gz VJYPOSCIPFANAK-SNVBAGLBSA-N -1 1 318.385 0.562 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H](C)CNC(=O)C(C)C)n1 ZINC001580630874 1165666886 /nfs/dbraw/zinc/66/68/86/1165666886.db2.gz VJYPOSCIPFANAK-SNVBAGLBSA-N -1 1 318.385 0.562 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)C(C)C)C2)n1 ZINC001580709505 1165693853 /nfs/dbraw/zinc/69/38/53/1165693853.db2.gz HEXFMMVTZOOPEF-SNVBAGLBSA-N -1 1 316.369 0.634 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C(C)C)C2)n1 ZINC001580709505 1165693856 /nfs/dbraw/zinc/69/38/56/1165693856.db2.gz HEXFMMVTZOOPEF-SNVBAGLBSA-N -1 1 316.369 0.634 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCNC(=O)[C@@H]2C[C@H]2C)n1 ZINC001580742183 1165708153 /nfs/dbraw/zinc/70/81/53/1165708153.db2.gz XOQULONVTDPJAY-PSASIEDQSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCNC(=O)[C@@H]2C[C@H]2C)n1 ZINC001580742183 1165708163 /nfs/dbraw/zinc/70/81/63/1165708163.db2.gz XOQULONVTDPJAY-PSASIEDQSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(C)c(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(=O)[nH]1 ZINC001580904259 1165755532 /nfs/dbraw/zinc/75/55/32/1165755532.db2.gz MRFHAKFKEKKSBF-UHFFFAOYSA-N -1 1 314.309 0.488 20 0 DCADMM Cc1cc(C)c(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(=O)[nH]1 ZINC001580904259 1165755538 /nfs/dbraw/zinc/75/55/38/1165755538.db2.gz MRFHAKFKEKKSBF-UHFFFAOYSA-N -1 1 314.309 0.488 20 0 DCADMM Cc1cccc(NC(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)c1 ZINC001581244323 1165805458 /nfs/dbraw/zinc/80/54/58/1165805458.db2.gz LSNPNPZYATYIKU-UHFFFAOYSA-N -1 1 310.317 0.976 20 0 DCADMM Cc1ccccc1OCCn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001581261126 1165807258 /nfs/dbraw/zinc/80/72/58/1165807258.db2.gz UFFOWKKBVJRZTH-UHFFFAOYSA-N -1 1 314.305 0.516 20 0 DCADMM Cc1cn(C)nc1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001581309277 1165811231 /nfs/dbraw/zinc/81/12/31/1165811231.db2.gz CDEINKDZAZYISN-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1cn(C)nc1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001581309277 1165811237 /nfs/dbraw/zinc/81/12/37/1165811237.db2.gz CDEINKDZAZYISN-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1n[nH]cc1CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001581403365 1165821583 /nfs/dbraw/zinc/82/15/83/1165821583.db2.gz KJUDUEVETWMHNM-UHFFFAOYSA-N -1 1 323.338 0.312 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnn3c2OCCC3)c1-c1nn[n-]n1 ZINC001581403910 1165821794 /nfs/dbraw/zinc/82/17/94/1165821794.db2.gz YDBHFPQJTURUMR-UHFFFAOYSA-N -1 1 315.297 0.130 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@](C)(O)c2ccccc2)c1-c1nn[n-]n1 ZINC001581402620 1165821913 /nfs/dbraw/zinc/82/19/13/1165821913.db2.gz BKFZDKVLXSYOCP-AWEZNQCLSA-N -1 1 313.321 0.744 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@]23C[C@H]2COC32CCC2)c1-c1nn[n-]n1 ZINC001581403017 1165822379 /nfs/dbraw/zinc/82/23/79/1165822379.db2.gz UYQVSXBRCJJOJE-RTHLEPHNSA-N -1 1 315.337 0.796 20 0 DCADMM Cc1nc(N[C@@H](CO)C[C@H](O)C(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001581494874 1165836273 /nfs/dbraw/zinc/83/62/73/1165836273.db2.gz CWPHOHKCAYRMIY-KOLCDFICSA-N -1 1 321.385 0.535 20 0 DCADMM Cc1nc(N[C@@H](CO)C[C@H](O)C(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001581494874 1165836280 /nfs/dbraw/zinc/83/62/80/1165836280.db2.gz CWPHOHKCAYRMIY-KOLCDFICSA-N -1 1 321.385 0.535 20 0 DCADMM Cc1nc2ncnn2c(NCc2ccnc(-c3nnn[n-]3)c2)c1C ZINC001581532490 1165840831 /nfs/dbraw/zinc/84/08/31/1165840831.db2.gz KBQSARJHPJBOOP-UHFFFAOYSA-N -1 1 322.336 0.928 20 0 DCADMM Cc1nc2ncnn2c(NCc2ccnc(-c3nn[n-]n3)c2)c1C ZINC001581532490 1165840835 /nfs/dbraw/zinc/84/08/35/1165840835.db2.gz KBQSARJHPJBOOP-UHFFFAOYSA-N -1 1 322.336 0.928 20 0 DCADMM Cc1ncccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001581562538 1165843899 /nfs/dbraw/zinc/84/38/99/1165843899.db2.gz XZGIBKRVJLGVOB-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H](CO)[C@H]2C)c1-c1nnn[n-]1 ZINC001581739284 1165864577 /nfs/dbraw/zinc/86/45/77/1165864577.db2.gz ONBXQINFNQYBPQ-SCZZXKLOSA-N -1 1 320.353 0.325 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H](CO)[C@H]2C)c1-c1nn[n-]n1 ZINC001581739284 1165864580 /nfs/dbraw/zinc/86/45/80/1165864580.db2.gz ONBXQINFNQYBPQ-SCZZXKLOSA-N -1 1 320.353 0.325 20 0 DCADMM Cn1nccc1CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581839520 1165885245 /nfs/dbraw/zinc/88/52/45/1165885245.db2.gz CABONNWRFGXHKM-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1nccc1CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581839520 1165885250 /nfs/dbraw/zinc/88/52/50/1165885250.db2.gz CABONNWRFGXHKM-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1nnc2cc(C(=O)Nc3c[nH]nc3-c3nn[n-]n3)ccc21 ZINC001581846007 1165886288 /nfs/dbraw/zinc/88/62/88/1165886288.db2.gz RWTSJOZEXXBZNO-UHFFFAOYSA-N -1 1 310.281 0.124 20 0 DCADMM FC1(F)Oc2cccc(Cn3cc(-c4nn[n-]n4)nn3)c2O1 ZINC001581851200 1165887974 /nfs/dbraw/zinc/88/79/74/1165887974.db2.gz NVBIRJIRROQSOV-UHFFFAOYSA-N -1 1 307.220 0.828 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001581904730 1165906807 /nfs/dbraw/zinc/90/68/07/1165906807.db2.gz VAJMLHPKMILJED-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cn1 ZINC001581904730 1165906813 /nfs/dbraw/zinc/90/68/13/1165906813.db2.gz VAJMLHPKMILJED-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM NC(=O)c1cccc2c1CCN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001581905421 1165910577 /nfs/dbraw/zinc/91/05/77/1165910577.db2.gz ILEOOYLKZAVFQG-UHFFFAOYSA-N -1 1 321.344 0.923 20 0 DCADMM NC(=O)c1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001581905421 1165910580 /nfs/dbraw/zinc/91/05/80/1165910580.db2.gz ILEOOYLKZAVFQG-UHFFFAOYSA-N -1 1 321.344 0.923 20 0 DCADMM O=C(CC1CC1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001581967969 1165925679 /nfs/dbraw/zinc/92/56/79/1165925679.db2.gz IRPOTQZNQLLMCB-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CC1CC1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001581967969 1165925687 /nfs/dbraw/zinc/92/56/87/1165925687.db2.gz IRPOTQZNQLLMCB-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CCCn1ccccc1=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582049763 1165943405 /nfs/dbraw/zinc/94/34/05/1165943405.db2.gz FOJLPSYUUHEJBZ-UHFFFAOYSA-N -1 1 314.309 0.170 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)ccc1=O)c1ccncc1Cl ZINC001582188767 1165978813 /nfs/dbraw/zinc/97/88/13/1165978813.db2.gz UMQKKVWXXDEWAX-UHFFFAOYSA-N -1 1 316.708 0.960 20 0 DCADMM O=C(N[C@@H](CO)c1ccccn1)c1ccc(-c2nnn[n-]2)s1 ZINC001582232644 1165988633 /nfs/dbraw/zinc/98/86/33/1165988633.db2.gz PRSCDOAJYIZHOO-VIFPVBQESA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@@H](CO)c1ccccn1)c1ccc(-c2nn[n-]n2)s1 ZINC001582232644 1165988641 /nfs/dbraw/zinc/98/86/41/1165988641.db2.gz PRSCDOAJYIZHOO-VIFPVBQESA-N -1 1 316.346 0.787 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cncs1 ZINC001582338770 1166004371 /nfs/dbraw/zinc/00/43/71/1166004371.db2.gz LGJUDTQJCKNKNH-UHFFFAOYSA-N -1 1 315.318 0.331 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cncs1 ZINC001582338770 1166004377 /nfs/dbraw/zinc/00/43/77/1166004377.db2.gz LGJUDTQJCKNKNH-UHFFFAOYSA-N -1 1 315.318 0.331 20 0 DCADMM O=C(NCCNc1cnccn1)c1coc(-c2nnn[n-]2)c1 ZINC001582522056 1166030962 /nfs/dbraw/zinc/03/09/62/1166030962.db2.gz NBMJEJUSJLGXDR-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCNc1cnccn1)c1coc(-c2nn[n-]n2)c1 ZINC001582522056 1166030969 /nfs/dbraw/zinc/03/09/69/1166030969.db2.gz NBMJEJUSJLGXDR-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1CC[C@@H](O)C1 ZINC001582550448 1166040040 /nfs/dbraw/zinc/04/00/40/1166040040.db2.gz XPZVCMUCTDXNPL-DTWKUNHWSA-N -1 1 322.394 0.888 20 0 DCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001582603453 1166051900 /nfs/dbraw/zinc/05/19/00/1166051900.db2.gz SAWLKFCGXKFQMN-AOOOYVTPSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001582603453 1166051907 /nfs/dbraw/zinc/05/19/07/1166051907.db2.gz SAWLKFCGXKFQMN-AOOOYVTPSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ncc(Cl)cn1 ZINC001582645166 1166058390 /nfs/dbraw/zinc/05/83/90/1166058390.db2.gz YTNIKBIDJLHGRZ-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ncc(Cl)cn1 ZINC001582645166 1166058399 /nfs/dbraw/zinc/05/83/99/1166058399.db2.gz YTNIKBIDJLHGRZ-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1ccc(-n2cnnn2)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001582639642 1166059440 /nfs/dbraw/zinc/05/94/40/1166059440.db2.gz JYPQSPWXNUIYNS-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1ccc(-n2cnnn2)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001582639642 1166059446 /nfs/dbraw/zinc/05/94/46/1166059446.db2.gz JYPQSPWXNUIYNS-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1ncc2c(c1-c1nn[n-]n1)COCC2)c1ccncc1 ZINC001582653791 1166061804 /nfs/dbraw/zinc/06/18/04/1166061804.db2.gz XXFOXIIQYZDENX-UHFFFAOYSA-N -1 1 323.316 0.982 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H](c2ncon2)C1 ZINC001582742414 1166072315 /nfs/dbraw/zinc/07/23/15/1166072315.db2.gz XKKQIMVTBJZXFV-QMMMGPOBSA-N -1 1 315.293 0.863 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H](c2ncon2)C1 ZINC001582742414 1166072325 /nfs/dbraw/zinc/07/23/25/1166072325.db2.gz XKKQIMVTBJZXFV-QMMMGPOBSA-N -1 1 315.293 0.863 20 0 DCADMM O=C1C[C@@H](Nc2ncncc2-c2nn[n-]n2)CN1c1ccccc1 ZINC001582759604 1166076757 /nfs/dbraw/zinc/07/67/57/1166076757.db2.gz DLHWLVXHVUQAKR-SNVBAGLBSA-N -1 1 322.332 0.874 20 0 DCADMM O=S(=O)(NCc1cnoc1)c1ccsc1-c1nn[n-]n1 ZINC001582797864 1166078180 /nfs/dbraw/zinc/07/81/80/1166078180.db2.gz XHAIXHJBXMFKJP-UHFFFAOYSA-N -1 1 312.336 0.395 20 0 DCADMM O=C1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1c1ccccc1 ZINC001582760167 1166078334 /nfs/dbraw/zinc/07/83/34/1166078334.db2.gz MVWLKGMGXJTPNM-SNVBAGLBSA-N -1 1 322.332 0.296 20 0 DCADMM O=C1CN(c2ccnc(-c3nnn[n-]3)c2)[C@@H](c2ccccc2)CN1 ZINC001582777087 1166079750 /nfs/dbraw/zinc/07/97/50/1166079750.db2.gz FRDZRDPVCBMDML-CQSZACIVSA-N -1 1 321.344 0.939 20 0 DCADMM O=C1CN(c2ccnc(-c3nn[n-]n3)c2)[C@@H](c2ccccc2)CN1 ZINC001582777087 1166079755 /nfs/dbraw/zinc/07/97/55/1166079755.db2.gz FRDZRDPVCBMDML-CQSZACIVSA-N -1 1 321.344 0.939 20 0 DCADMM O=C1NCC2(CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)O1 ZINC001582785089 1166079937 /nfs/dbraw/zinc/07/99/37/1166079937.db2.gz JHGZKWCDFYUULO-UHFFFAOYSA-N -1 1 313.730 0.275 20 0 DCADMM O=C1NCC2(CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)O1 ZINC001582785089 1166079943 /nfs/dbraw/zinc/07/99/43/1166079943.db2.gz JHGZKWCDFYUULO-UHFFFAOYSA-N -1 1 313.730 0.275 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001582806749 1166085481 /nfs/dbraw/zinc/08/54/81/1166085481.db2.gz IPKHVDKPOGFEEJ-IUODEOHRSA-N -1 1 317.349 0.757 20 0 DCADMM O[C@@H]1CCOC[C@H]1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001582813589 1166093403 /nfs/dbraw/zinc/09/34/03/1166093403.db2.gz PYQREMNWDRZDSU-NXEZZACHSA-N -1 1 303.326 0.096 20 0 DCADMM O[C@@H]1CCOC[C@H]1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001582813589 1166093407 /nfs/dbraw/zinc/09/34/07/1166093407.db2.gz PYQREMNWDRZDSU-NXEZZACHSA-N -1 1 303.326 0.096 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cn(C)nc3Cl)nc2n1 ZINC001584142633 1166310947 /nfs/dbraw/zinc/31/09/47/1166310947.db2.gz SKFAWPFROPIHKU-UHFFFAOYSA-N -1 1 307.701 0.365 20 0 DCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)C#N ZINC001585501738 1166438547 /nfs/dbraw/zinc/43/85/47/1166438547.db2.gz XILDUKJEBSAXOG-UHFFFAOYSA-N -1 1 305.338 0.199 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)c1 ZINC001586538441 1166495342 /nfs/dbraw/zinc/49/53/42/1166495342.db2.gz HYKMMNMHIRSGTO-IUODEOHRSA-N -1 1 319.405 0.877 20 0 DCADMM CC(=O)C[C@@H](C)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001588785694 1166589970 /nfs/dbraw/zinc/58/99/70/1166589970.db2.gz HUHNGHLUBZZIAO-SSDOTTSWSA-N -1 1 304.310 0.373 20 0 DCADMM CC(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588807061 1166591184 /nfs/dbraw/zinc/59/11/84/1166591184.db2.gz XASYEZFZWKLARE-WPRPVWTQSA-N -1 1 302.342 0.183 20 0 DCADMM CC(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588807061 1166591191 /nfs/dbraw/zinc/59/11/91/1166591191.db2.gz XASYEZFZWKLARE-WPRPVWTQSA-N -1 1 302.342 0.183 20 0 DCADMM CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001588812020 1166594029 /nfs/dbraw/zinc/59/40/29/1166594029.db2.gz GPUUOBISHUAQBI-SCZZXKLOSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001588812020 1166594035 /nfs/dbraw/zinc/59/40/35/1166594035.db2.gz GPUUOBISHUAQBI-SCZZXKLOSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588811605 1166595926 /nfs/dbraw/zinc/59/59/26/1166595926.db2.gz FSXPNNOELXLQSK-UHFFFAOYSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCCC[C@H]1[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001588818201 1166598797 /nfs/dbraw/zinc/59/87/97/1166598797.db2.gz CZKKTCVBCHRBET-ONGXEEELSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N1CCCC[C@H]1[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001588818201 1166598806 /nfs/dbraw/zinc/59/88/06/1166598806.db2.gz CZKKTCVBCHRBET-ONGXEEELSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N[C@@H](C)CCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001588835263 1166603399 /nfs/dbraw/zinc/60/33/99/1166603399.db2.gz DDZJGYDHXIWRJY-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CC(=O)N[C@@H](C)CCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001588835263 1166603405 /nfs/dbraw/zinc/60/34/05/1166603405.db2.gz DDZJGYDHXIWRJY-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CC(=O)NC1CCN(c2cc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588841218 1166606763 /nfs/dbraw/zinc/60/67/63/1166606763.db2.gz IRBGHFHRZYWLAZ-UHFFFAOYSA-N -1 1 301.354 0.675 20 0 DCADMM CC(=O)NC1CCN(c2cc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588841218 1166606771 /nfs/dbraw/zinc/60/67/71/1166606771.db2.gz IRBGHFHRZYWLAZ-UHFFFAOYSA-N -1 1 301.354 0.675 20 0 DCADMM CC(=O)c1cccc(NC(=O)Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001588921036 1166616975 /nfs/dbraw/zinc/61/69/75/1166616975.db2.gz JVKMRTOAIOACPU-UHFFFAOYSA-N -1 1 312.293 0.300 20 0 DCADMM C[C@@H](C(=O)NC1CC2(CSC2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588973173 1166624285 /nfs/dbraw/zinc/62/42/85/1166624285.db2.gz OXRAUOKDVHEGDT-ZETCQYMHSA-N -1 1 320.382 0.031 20 0 DCADMM C[C@H](C(=O)NCC1(C)CCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588978272 1166624314 /nfs/dbraw/zinc/62/43/14/1166624314.db2.gz JAJYKGYEYWXNRT-SECBINFHSA-N -1 1 304.358 0.716 20 0 DCADMM C[C@H](C(=O)N[C@H]1CCCC2(CC2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588973973 1166625245 /nfs/dbraw/zinc/62/52/45/1166625245.db2.gz VXCHIARRLNQZTI-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@H](C(=O)OC[C@H]1CCC(C)(C)O1)n1cnc(-c2nn[n-]n2)n1 ZINC001589025804 1166628528 /nfs/dbraw/zinc/62/85/28/1166628528.db2.gz FAPGYFVSXNIBLM-RKDXNWHRSA-N -1 1 321.341 0.520 20 0 DCADMM C[C@@H](C(=O)OC[C@H]1CCC(C)(C)O1)n1cnc(-c2nn[n-]n2)n1 ZINC001589025802 1166629218 /nfs/dbraw/zinc/62/92/18/1166629218.db2.gz FAPGYFVSXNIBLM-DTWKUNHWSA-N -1 1 321.341 0.520 20 0 DCADMM C[C@@H](C(=O)OCc1ccns1)n1cnc(-c2nn[n-]n2)n1 ZINC001589032057 1166630972 /nfs/dbraw/zinc/63/09/72/1166630972.db2.gz GFEVOMYCDZLSAQ-LURJTMIESA-N -1 1 306.311 0.219 20 0 DCADMM C[C@@H](C(=O)OCC1CCC(=O)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028869 1166631887 /nfs/dbraw/zinc/63/18/87/1166631887.db2.gz ZCQFPPPQJPRACU-QMMMGPOBSA-N -1 1 319.325 0.322 20 0 DCADMM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589095281 1166635286 /nfs/dbraw/zinc/63/52/86/1166635286.db2.gz IOLYMDJCXPIZCU-MWLCHTKSSA-N -1 1 323.353 0.348 20 0 DCADMM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589095281 1166635290 /nfs/dbraw/zinc/63/52/90/1166635290.db2.gz IOLYMDJCXPIZCU-MWLCHTKSSA-N -1 1 323.353 0.348 20 0 DCADMM CC(C)(C)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1=O ZINC001589137356 1166638348 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CC(C)=CC(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001589354120 1166651727 /nfs/dbraw/zinc/65/17/27/1166651727.db2.gz GSUJTLBRTUSTAM-SNVBAGLBSA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)=CC(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001589354120 1166651732 /nfs/dbraw/zinc/65/17/32/1166651732.db2.gz GSUJTLBRTUSTAM-SNVBAGLBSA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)=CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001589354119 1166652352 /nfs/dbraw/zinc/65/23/52/1166652352.db2.gz GSUJTLBRTUSTAM-JTQLQIEISA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)=CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001589354119 1166652355 /nfs/dbraw/zinc/65/23/55/1166652355.db2.gz GSUJTLBRTUSTAM-JTQLQIEISA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)=CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001589354533 1166653109 /nfs/dbraw/zinc/65/31/09/1166653109.db2.gz UBJWPGJSADEXKQ-JTQLQIEISA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)=CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001589354533 1166653114 /nfs/dbraw/zinc/65/31/14/1166653114.db2.gz UBJWPGJSADEXKQ-JTQLQIEISA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001589401169 1166653994 /nfs/dbraw/zinc/65/39/94/1166653994.db2.gz FHNVELJJAWBCIC-UWVGGRQHSA-N -1 1 314.353 0.102 20 0 DCADMM CC(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001589401169 1166653998 /nfs/dbraw/zinc/65/39/98/1166653998.db2.gz FHNVELJJAWBCIC-UWVGGRQHSA-N -1 1 314.353 0.102 20 0 DCADMM CC(C)C(C)(C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001589425313 1166656304 /nfs/dbraw/zinc/65/63/04/1166656304.db2.gz KSZAKMKCAMRVSH-UHFFFAOYSA-N -1 1 307.358 0.760 20 0 DCADMM CC(C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001589411725 1166656634 /nfs/dbraw/zinc/65/66/34/1166656634.db2.gz XIUXQJZCYHZPLU-MWLCHTKSSA-N -1 1 316.369 0.254 20 0 DCADMM CC(C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001589411725 1166656637 /nfs/dbraw/zinc/65/66/37/1166656637.db2.gz XIUXQJZCYHZPLU-MWLCHTKSSA-N -1 1 316.369 0.254 20 0 DCADMM CC(C)C[C@H]1C(=O)NCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001589571697 1166666964 /nfs/dbraw/zinc/66/69/64/1166666964.db2.gz LRLPJVDSOSEIGC-VIFPVBQESA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)N1CC[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1=O ZINC001589712056 1166675149 /nfs/dbraw/zinc/67/51/49/1166675149.db2.gz NQFIZXODCAUYEU-SECBINFHSA-N -1 1 304.310 0.199 20 0 DCADMM CC(C)N1CC[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1=O ZINC001589712056 1166675155 /nfs/dbraw/zinc/67/51/55/1166675155.db2.gz NQFIZXODCAUYEU-SECBINFHSA-N -1 1 304.310 0.199 20 0 DCADMM CC(C)n1cnnc1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001589784078 1166685002 /nfs/dbraw/zinc/68/50/02/1166685002.db2.gz AFHNNIMYGDQHOF-UHFFFAOYSA-N -1 1 300.330 0.466 20 0 DCADMM CC(C)n1cnnc1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001589784078 1166685004 /nfs/dbraw/zinc/68/50/04/1166685004.db2.gz AFHNNIMYGDQHOF-UHFFFAOYSA-N -1 1 300.330 0.466 20 0 DCADMM CC(C)c1nnc(CNc2cncc(-c3nnn[n-]3)n2)n1C ZINC001589778960 1166685190 /nfs/dbraw/zinc/68/51/90/1166685190.db2.gz SKGARMGIRIEAKQ-UHFFFAOYSA-N -1 1 300.330 0.521 20 0 DCADMM CC(C)c1nnc(CNc2cncc(-c3nn[n-]n3)n2)n1C ZINC001589778960 1166685193 /nfs/dbraw/zinc/68/51/93/1166685193.db2.gz SKGARMGIRIEAKQ-UHFFFAOYSA-N -1 1 300.330 0.521 20 0 DCADMM CC(C)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cn1 ZINC001589768434 1166685302 /nfs/dbraw/zinc/68/53/02/1166685302.db2.gz GZLLGACZJYLJLV-UHFFFAOYSA-N -1 1 313.325 0.615 20 0 DCADMM C[C@@H](CN1CCOCC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589848725 1166700695 /nfs/dbraw/zinc/70/06/95/1166700695.db2.gz UBAPZHBEKRDOPR-JTQLQIEISA-N -1 1 320.353 0.252 20 0 DCADMM C[C@@H](CN1CCOCC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589848725 1166700698 /nfs/dbraw/zinc/70/06/98/1166700698.db2.gz UBAPZHBEKRDOPR-JTQLQIEISA-N -1 1 320.353 0.252 20 0 DCADMM C[C@@H](CO)N(CC1CCC1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589881724 1166704810 /nfs/dbraw/zinc/70/48/10/1166704810.db2.gz CGQKDGIPFCVZDA-JTQLQIEISA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](CO)N(CC1CCC1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589881724 1166704818 /nfs/dbraw/zinc/70/48/18/1166704818.db2.gz CGQKDGIPFCVZDA-JTQLQIEISA-N -1 1 316.365 0.885 20 0 DCADMM CC(CO)(CO)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001589881406 1166705165 /nfs/dbraw/zinc/70/51/65/1166705165.db2.gz PBNNFEJVQNVXKV-UHFFFAOYSA-N -1 1 304.763 0.379 20 0 DCADMM CC(CO)(CO)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001589881406 1166705172 /nfs/dbraw/zinc/70/51/72/1166705172.db2.gz PBNNFEJVQNVXKV-UHFFFAOYSA-N -1 1 304.763 0.379 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1CC1 ZINC001589880840 1166705915 /nfs/dbraw/zinc/70/59/15/1166705915.db2.gz UVVLUIIXGJGWLT-QMMMGPOBSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1CC1 ZINC001589880840 1166705921 /nfs/dbraw/zinc/70/59/21/1166705921.db2.gz UVVLUIIXGJGWLT-QMMMGPOBSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@H](C[S@@](C)=O)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589888180 1166711701 /nfs/dbraw/zinc/71/17/01/1166711701.db2.gz HLEQPZZPCBPBPG-WODJRTHDSA-N -1 1 309.355 0.150 20 0 DCADMM C[C@H](C[S@@](C)=O)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589888180 1166711708 /nfs/dbraw/zinc/71/17/08/1166711708.db2.gz HLEQPZZPCBPBPG-WODJRTHDSA-N -1 1 309.355 0.150 20 0 DCADMM CC(F)(F)CN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001589910443 1166716037 /nfs/dbraw/zinc/71/60/37/1166716037.db2.gz JKVLGZSQUIIAGR-UHFFFAOYSA-N -1 1 310.312 0.434 20 0 DCADMM CC(F)(F)CN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001589910443 1166716041 /nfs/dbraw/zinc/71/60/41/1166716041.db2.gz JKVLGZSQUIIAGR-UHFFFAOYSA-N -1 1 310.312 0.434 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)NC(C)(C)C ZINC001589944316 1166726457 /nfs/dbraw/zinc/72/64/57/1166726457.db2.gz DUPKNUMXOGVSNN-ZETCQYMHSA-N -1 1 306.326 0.493 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)NC(C)(C)C ZINC001589944316 1166726464 /nfs/dbraw/zinc/72/64/64/1166726464.db2.gz DUPKNUMXOGVSNN-ZETCQYMHSA-N -1 1 306.326 0.493 20 0 DCADMM C[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC001589947404 1166728244 /nfs/dbraw/zinc/72/82/44/1166728244.db2.gz QRZOHBGOMFEDJO-MWLCHTKSSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC001589947404 1166728249 /nfs/dbraw/zinc/72/82/49/1166728249.db2.gz QRZOHBGOMFEDJO-MWLCHTKSSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]([N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C(F)F ZINC001589973692 1166732519 /nfs/dbraw/zinc/73/25/19/1166732519.db2.gz IRRVBUIGYFUDIE-ZETCQYMHSA-N -1 1 317.321 0.940 20 0 DCADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)C(=O)NCC(F)(F)F ZINC001589980657 1166735014 /nfs/dbraw/zinc/73/50/14/1166735014.db2.gz OJDIOOBUVLQCJW-YFKPBYRVSA-N -1 1 316.247 0.136 20 0 DCADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)C(=O)NCC(F)(F)F ZINC001589980657 1166735018 /nfs/dbraw/zinc/73/50/18/1166735018.db2.gz OJDIOOBUVLQCJW-YFKPBYRVSA-N -1 1 316.247 0.136 20 0 DCADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1nncn1C ZINC001589980088 1166735467 /nfs/dbraw/zinc/73/54/67/1166735467.db2.gz HMTHAHRKNQGRLX-ZETCQYMHSA-N -1 1 312.341 0.836 20 0 DCADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1nncn1C ZINC001589980088 1166735471 /nfs/dbraw/zinc/73/54/71/1166735471.db2.gz HMTHAHRKNQGRLX-ZETCQYMHSA-N -1 1 312.341 0.836 20 0 DCADMM C[C@@](O)(C[C@H](O)COc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001589991981 1166736571 /nfs/dbraw/zinc/73/65/71/1166736571.db2.gz XTUBTJDRYTWSNX-IINYFYTJSA-N -1 1 305.338 0.553 20 0 DCADMM C[C@@](O)(C[C@H](O)COc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001589991981 1166736579 /nfs/dbraw/zinc/73/65/79/1166736579.db2.gz XTUBTJDRYTWSNX-IINYFYTJSA-N -1 1 305.338 0.553 20 0 DCADMM C[C@H](O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001589994530 1166740465 /nfs/dbraw/zinc/74/04/65/1166740465.db2.gz HCVGYAFHIKTSIP-WCBMZHEXSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@H](O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001589994530 1166740470 /nfs/dbraw/zinc/74/04/70/1166740470.db2.gz HCVGYAFHIKTSIP-WCBMZHEXSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ncnn1C ZINC001590016144 1166753357 /nfs/dbraw/zinc/75/33/57/1166753357.db2.gz QOFWKEQMXRXJQK-ZCFIWIBFSA-N -1 1 305.323 0.975 20 0 DCADMM C[C@@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCCCO1 ZINC001590068768 1166762603 /nfs/dbraw/zinc/76/26/03/1166762603.db2.gz PIUHQDLRXJGXHF-AWEZNQCLSA-N -1 1 302.338 0.837 20 0 DCADMM C[C@@]1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCCCO1 ZINC001590068768 1166762612 /nfs/dbraw/zinc/76/26/12/1166762612.db2.gz PIUHQDLRXJGXHF-AWEZNQCLSA-N -1 1 302.338 0.837 20 0 DCADMM C[C@]1(C(N)=O)CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590072514 1166766970 /nfs/dbraw/zinc/76/69/70/1166766970.db2.gz IXQIORFFFHOKBC-LBPRGKRZSA-N -1 1 306.351 0.266 20 0 DCADMM C[C@]1(C(N)=O)CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590072514 1166766973 /nfs/dbraw/zinc/76/69/73/1166766973.db2.gz IXQIORFFFHOKBC-LBPRGKRZSA-N -1 1 306.351 0.266 20 0 DCADMM CC1(C)C[C@@H]1C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001590087924 1166771895 /nfs/dbraw/zinc/77/18/95/1166771895.db2.gz APHKZLZYVSDVQM-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM CC1(C)C[C@@H]1C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001590087924 1166771898 /nfs/dbraw/zinc/77/18/98/1166771898.db2.gz APHKZLZYVSDVQM-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM CC1(C)OCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CO1 ZINC001590115583 1166780325 /nfs/dbraw/zinc/78/03/25/1166780325.db2.gz UBQMTKFGECDMQA-UHFFFAOYSA-N -1 1 304.310 0.143 20 0 DCADMM CC1(C)OCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CO1 ZINC001590115583 1166780329 /nfs/dbraw/zinc/78/03/29/1166780329.db2.gz UBQMTKFGECDMQA-UHFFFAOYSA-N -1 1 304.310 0.143 20 0 DCADMM CC1(O)CC(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C1 ZINC001590150003 1166789568 /nfs/dbraw/zinc/78/95/68/1166789568.db2.gz GBJFANCYSZRGCI-UHFFFAOYSA-N -1 1 303.326 0.567 20 0 DCADMM CC12CC(C1)CN2S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590153923 1166791272 /nfs/dbraw/zinc/79/12/72/1166791272.db2.gz ZUWHILZZYOLGTE-UHFFFAOYSA-N -1 1 306.351 0.435 20 0 DCADMM CC12CC(C1)CN2S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590153923 1166791273 /nfs/dbraw/zinc/79/12/73/1166791273.db2.gz ZUWHILZZYOLGTE-UHFFFAOYSA-N -1 1 306.351 0.435 20 0 DCADMM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@@H+]1CCF ZINC001590171472 1166798699 /nfs/dbraw/zinc/79/86/99/1166798699.db2.gz RIHPLJYPGUFFMX-ONGXEEELSA-N -1 1 321.360 0.747 20 0 DCADMM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@H+]1CCF ZINC001590171472 1166798707 /nfs/dbraw/zinc/79/87/07/1166798707.db2.gz RIHPLJYPGUFFMX-ONGXEEELSA-N -1 1 321.360 0.747 20 0 DCADMM C[C@@H]1C[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)[C@@H](C)O1 ZINC001590183906 1166803035 /nfs/dbraw/zinc/80/30/35/1166803035.db2.gz VGUIPOYFPCKRNL-PRJMDXOYSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@@H]1C[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)[C@@H](C)O1 ZINC001590183906 1166803044 /nfs/dbraw/zinc/80/30/44/1166803044.db2.gz VGUIPOYFPCKRNL-PRJMDXOYSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001590198541 1166808510 /nfs/dbraw/zinc/80/85/10/1166808510.db2.gz CUKTWLDAQZQUQP-SFYZADRCSA-N -1 1 308.367 0.905 20 0 DCADMM C[C@H]1CC(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC001590205489 1166813053 /nfs/dbraw/zinc/81/30/53/1166813053.db2.gz ATIQMEJSSPEBBD-BQBZGAKWSA-N -1 1 321.341 0.034 20 0 DCADMM C[C@@H]1CCC[C@@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001590247395 1166826510 /nfs/dbraw/zinc/82/65/10/1166826510.db2.gz JVCXGIRPPBNSAU-HTQZYQBOSA-N -1 1 305.342 0.514 20 0 DCADMM C[C@H]1CCC[C@]1(O)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590247548 1166826626 /nfs/dbraw/zinc/82/66/26/1166826626.db2.gz JVCIOQJCIJVXEB-SDBXPKJASA-N -1 1 320.357 0.273 20 0 DCADMM C[C@H]1CCC[C@]1(O)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590247548 1166826630 /nfs/dbraw/zinc/82/66/30/1166826630.db2.gz JVCIOQJCIJVXEB-SDBXPKJASA-N -1 1 320.357 0.273 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590284689 1166839616 /nfs/dbraw/zinc/83/96/16/1166839616.db2.gz LSQNLQUHCBWDNW-KATARQTJSA-N -1 1 320.357 0.044 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)Cc2c[nH]nc21 ZINC001590299070 1166846281 /nfs/dbraw/zinc/84/62/81/1166846281.db2.gz UHMWASDLKGKPHO-QMMMGPOBSA-N -1 1 310.321 0.744 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@]1(C)CO ZINC001590299387 1166848950 /nfs/dbraw/zinc/84/89/50/1166848950.db2.gz FLXWFAPTSHAOIK-YMTOWFKASA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@]1(C)CO ZINC001590299387 1166848953 /nfs/dbraw/zinc/84/89/53/1166848953.db2.gz FLXWFAPTSHAOIK-YMTOWFKASA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1OCC[C@]12CN(c1ccnc(-c3nn[n-]n3)n1)C[C@@H](C)O2 ZINC001590313510 1166857125 /nfs/dbraw/zinc/85/71/25/1166857125.db2.gz DZYUAUSVXKUBTK-BFVZDQMLSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H](CO)O1 ZINC001590313605 1166857570 /nfs/dbraw/zinc/85/75/70/1166857570.db2.gz WIVLKNSUSUEINQ-YUMQZZPRSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H](CO)O1 ZINC001590313605 1166857575 /nfs/dbraw/zinc/85/75/75/1166857575.db2.gz WIVLKNSUSUEINQ-YUMQZZPRSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC(=O)N1C ZINC001590314226 1166859068 /nfs/dbraw/zinc/85/90/68/1166859068.db2.gz AHSATTZCRYOVBO-YFKPBYRVSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@]2(CCOC2)O1 ZINC001590317199 1166862302 /nfs/dbraw/zinc/86/23/02/1166862302.db2.gz ZFBREURSTRAOCT-TVQRCGJNSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1COCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590325887 1166867883 /nfs/dbraw/zinc/86/78/83/1166867883.db2.gz VLBKPGKCSYQGRY-CBAPKCEASA-N -1 1 306.330 0.147 20 0 DCADMM C[C@H]1COCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590325887 1166867890 /nfs/dbraw/zinc/86/78/90/1166867890.db2.gz VLBKPGKCSYQGRY-CBAPKCEASA-N -1 1 306.330 0.147 20 0 DCADMM C/C=C(/C)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590344668 1166876604 /nfs/dbraw/zinc/87/66/04/1166876604.db2.gz AGKGQIKQAMKQLP-KMKOMSMNSA-N -1 1 314.353 0.272 20 0 DCADMM C/C=C(/C)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590344668 1166876606 /nfs/dbraw/zinc/87/66/06/1166876606.db2.gz AGKGQIKQAMKQLP-KMKOMSMNSA-N -1 1 314.353 0.272 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590347296 1166879118 /nfs/dbraw/zinc/87/91/18/1166879118.db2.gz OPRVCWXHEDWVPU-RZCNENHTSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590347296 1166879123 /nfs/dbraw/zinc/87/91/23/1166879123.db2.gz OPRVCWXHEDWVPU-RZCNENHTSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C/C[C@H](CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590353062 1166881548 /nfs/dbraw/zinc/88/15/48/1166881548.db2.gz NPGCZIRVGRUADX-MPJRPATESA-N -1 1 306.330 0.049 20 0 DCADMM C/C=C/C[C@H](CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590353062 1166881550 /nfs/dbraw/zinc/88/15/50/1166881550.db2.gz NPGCZIRVGRUADX-MPJRPATESA-N -1 1 306.330 0.049 20 0 DCADMM CCC(=O)NC[C@@H](C)N(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590364201 1166886969 /nfs/dbraw/zinc/88/69/69/1166886969.db2.gz IVIUTWOFLKSVIY-SECBINFHSA-N -1 1 304.358 0.316 20 0 DCADMM CCC(=O)NC[C@@H](C)N(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590364201 1166886976 /nfs/dbraw/zinc/88/69/76/1166886976.db2.gz IVIUTWOFLKSVIY-SECBINFHSA-N -1 1 304.358 0.316 20 0 DCADMM CCC(=O)N[C@@H](C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590363536 1166887285 /nfs/dbraw/zinc/88/72/85/1166887285.db2.gz GQXBUFMFMUJSCC-VIFPVBQESA-N -1 1 304.358 0.185 20 0 DCADMM CCC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001590362131 1166887507 /nfs/dbraw/zinc/88/75/07/1166887507.db2.gz YKENMTKODVRSMR-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001590362131 1166887511 /nfs/dbraw/zinc/88/75/11/1166887511.db2.gz YKENMTKODVRSMR-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590364350 1166890796 /nfs/dbraw/zinc/89/07/96/1166890796.db2.gz YVEYDCSHWPGTQR-UHFFFAOYSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590364350 1166890801 /nfs/dbraw/zinc/89/08/01/1166890801.db2.gz YVEYDCSHWPGTQR-UHFFFAOYSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001590374986 1166891575 /nfs/dbraw/zinc/89/15/75/1166891575.db2.gz LCYIAPUIVGEZJL-SECBINFHSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001590374986 1166891578 /nfs/dbraw/zinc/89/15/78/1166891578.db2.gz LCYIAPUIVGEZJL-SECBINFHSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001590374987 1166892342 /nfs/dbraw/zinc/89/23/42/1166892342.db2.gz LCYIAPUIVGEZJL-VIFPVBQESA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001590374987 1166892346 /nfs/dbraw/zinc/89/23/46/1166892346.db2.gz LCYIAPUIVGEZJL-VIFPVBQESA-N -1 1 302.342 0.373 20 0 DCADMM CCC(C)(C)[C@H](O)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590373637 1166893006 /nfs/dbraw/zinc/89/30/06/1166893006.db2.gz QNFSPTJAMAJGCO-LLVKDONJSA-N -1 1 304.354 0.675 20 0 DCADMM CCC(C)(C)[C@H](O)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590373637 1166893008 /nfs/dbraw/zinc/89/30/08/1166893008.db2.gz QNFSPTJAMAJGCO-LLVKDONJSA-N -1 1 304.354 0.675 20 0 DCADMM CC/C(C)=C\C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001590389019 1166895443 /nfs/dbraw/zinc/89/54/43/1166895443.db2.gz NLMRGXKECKBKQQ-HYHWUIIZSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C(C)=C\C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001590389019 1166895447 /nfs/dbraw/zinc/89/54/47/1166895447.db2.gz NLMRGXKECKBKQQ-HYHWUIIZSA-N -1 1 316.369 0.930 20 0 DCADMM CCC(CC)(CCO)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590426444 1166903352 /nfs/dbraw/zinc/90/33/52/1166903352.db2.gz GXHUMKKBHSOHNS-VIFPVBQESA-N -1 1 322.373 0.077 20 0 DCADMM CC[C@@H](CNC(=O)c1ccsc1-c1nnn[n-]1)C(=O)OC ZINC001590443810 1166908391 /nfs/dbraw/zinc/90/83/91/1166908391.db2.gz MSKVNRVBORPRJJ-ZETCQYMHSA-N -1 1 309.351 0.857 20 0 DCADMM CC[C@@H](CNC(=O)c1ccsc1-c1nn[n-]n1)C(=O)OC ZINC001590443810 1166908392 /nfs/dbraw/zinc/90/83/92/1166908392.db2.gz MSKVNRVBORPRJJ-ZETCQYMHSA-N -1 1 309.351 0.857 20 0 DCADMM CC[C@H](F)C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001590455416 1166911933 /nfs/dbraw/zinc/91/19/33/1166911933.db2.gz ABNXSKABLXADDL-QMMMGPOBSA-N -1 1 308.321 0.323 20 0 DCADMM CC[C@H](F)C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001590455416 1166911935 /nfs/dbraw/zinc/91/19/35/1166911935.db2.gz ABNXSKABLXADDL-QMMMGPOBSA-N -1 1 308.321 0.323 20 0 DCADMM CC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@H](O)C(F)(F)F ZINC001590472740 1166917686 /nfs/dbraw/zinc/91/76/86/1166917686.db2.gz HCOLLTBJVIWPGA-APPZFPTMSA-N -1 1 302.260 0.797 20 0 DCADMM CC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)[C@H](O)C(F)(F)F ZINC001590472740 1166917691 /nfs/dbraw/zinc/91/76/91/1166917691.db2.gz HCOLLTBJVIWPGA-APPZFPTMSA-N -1 1 302.260 0.797 20 0 DCADMM CCC1(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)COC1 ZINC001590492882 1166923606 /nfs/dbraw/zinc/92/36/06/1166923606.db2.gz QXMPCAQBFVHPGJ-UHFFFAOYSA-N -1 1 323.382 0.549 20 0 DCADMM CCC1(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)COC1 ZINC001590492882 1166923611 /nfs/dbraw/zinc/92/36/11/1166923611.db2.gz QXMPCAQBFVHPGJ-UHFFFAOYSA-N -1 1 323.382 0.549 20 0 DCADMM 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/nfs/dbraw/zinc/12/00/03/1167120003.db2.gz BBRLTVPQZMPFEU-UHFFFAOYSA-N -1 1 307.268 0.885 20 0 DCADMM CNC(=O)[C@@H]1CCCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591204128 1167152232 /nfs/dbraw/zinc/15/22/32/1167152232.db2.gz RKGZFOCHWULBER-JTQLQIEISA-N -1 1 314.353 0.249 20 0 DCADMM CNC(=O)[C@@H]1CCCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591204128 1167152238 /nfs/dbraw/zinc/15/22/38/1167152238.db2.gz RKGZFOCHWULBER-JTQLQIEISA-N -1 1 314.353 0.249 20 0 DCADMM CNC(=O)[C@H]1CCCN(c2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001591204269 1167152609 /nfs/dbraw/zinc/15/26/09/1167152609.db2.gz SXZMDBGIECFVGS-JTQLQIEISA-N -1 1 301.354 0.533 20 0 DCADMM CNC(=O)[C@H]1CCCN(c2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001591204269 1167152610 /nfs/dbraw/zinc/15/26/10/1167152610.db2.gz SXZMDBGIECFVGS-JTQLQIEISA-N -1 1 301.354 0.533 20 0 DCADMM CNC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591203807 1167152780 /nfs/dbraw/zinc/15/27/80/1167152780.db2.gz KZLPODMRWDOXHG-VIFPVBQESA-N -1 1 304.310 0.119 20 0 DCADMM CNC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591203807 1167152784 /nfs/dbraw/zinc/15/27/84/1167152784.db2.gz KZLPODMRWDOXHG-VIFPVBQESA-N -1 1 304.310 0.119 20 0 DCADMM CNc1cnn(Cc2ccc(-c3nnn[n-]3)o2)c(=O)c1Cl ZINC001591223996 1167165649 /nfs/dbraw/zinc/16/56/49/1167165649.db2.gz RMTHSJUZGDQKDD-UHFFFAOYSA-N -1 1 307.701 0.760 20 0 DCADMM CNc1cnn(Cc2ccc(-c3nn[n-]n3)o2)c(=O)c1Cl ZINC001591223996 1167165652 /nfs/dbraw/zinc/16/56/52/1167165652.db2.gz RMTHSJUZGDQKDD-UHFFFAOYSA-N -1 1 307.701 0.760 20 0 DCADMM COC(=O)[C@](C)(NC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001591229602 1167169220 /nfs/dbraw/zinc/16/92/20/1167169220.db2.gz SFHNSVZZUXMVHW-CQSZACIVSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@](C)(NC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001591229602 1167169223 /nfs/dbraw/zinc/16/92/23/1167169223.db2.gz SFHNSVZZUXMVHW-CQSZACIVSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)C[C@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001591261624 1167184129 /nfs/dbraw/zinc/18/41/29/1167184129.db2.gz RYPFBBDYEAYUDH-SECBINFHSA-N -1 1 303.326 0.579 20 0 DCADMM COC(=O)C[C@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001591261624 1167184132 /nfs/dbraw/zinc/18/41/32/1167184132.db2.gz RYPFBBDYEAYUDH-SECBINFHSA-N -1 1 303.326 0.579 20 0 DCADMM COC(=O)CCCC(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001591263463 1167186848 /nfs/dbraw/zinc/18/68/48/1167186848.db2.gz YSNYMORZMQDQKT-UHFFFAOYSA-N -1 1 307.314 0.190 20 0 DCADMM COC(=O)CCCC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001591263463 1167186856 /nfs/dbraw/zinc/18/68/56/1167186856.db2.gz YSNYMORZMQDQKT-UHFFFAOYSA-N -1 1 307.314 0.190 20 0 DCADMM COC(=O)C[C@H]1CN(c2cc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001591265121 1167188478 /nfs/dbraw/zinc/18/84/78/1167188478.db2.gz ZTZDFRFCDYLSFV-JTQLQIEISA-N -1 1 318.337 0.338 20 0 DCADMM COC(=O)C[C@H]1CN(c2cc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001591265121 1167188483 /nfs/dbraw/zinc/18/84/83/1167188483.db2.gz ZTZDFRFCDYLSFV-JTQLQIEISA-N -1 1 318.337 0.338 20 0 DCADMM COC(=O)CCSCCNc1cncc(-c2nnn[n-]2)n1 ZINC001591265391 1167189277 /nfs/dbraw/zinc/18/92/77/1167189277.db2.gz NBQTZDJOIPJNPW-UHFFFAOYSA-N -1 1 309.355 0.365 20 0 DCADMM COC(=O)CCSCCNc1cncc(-c2nn[n-]n2)n1 ZINC001591265391 1167189285 /nfs/dbraw/zinc/18/92/85/1167189285.db2.gz NBQTZDJOIPJNPW-UHFFFAOYSA-N -1 1 309.355 0.365 20 0 DCADMM COC(=O)N1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591274246 1167193335 /nfs/dbraw/zinc/19/33/35/1167193335.db2.gz TXBJELPGPVFOPJ-SNVBAGLBSA-N -1 1 303.326 0.326 20 0 DCADMM COC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591274246 1167193336 /nfs/dbraw/zinc/19/33/36/1167193336.db2.gz TXBJELPGPVFOPJ-SNVBAGLBSA-N -1 1 303.326 0.326 20 0 DCADMM COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001591283574 1167201107 /nfs/dbraw/zinc/20/11/07/1167201107.db2.gz VZJRLPIFPXFQNP-LJGSYFOKSA-N -1 1 307.335 0.610 20 0 DCADMM COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001591283574 1167201112 /nfs/dbraw/zinc/20/11/12/1167201112.db2.gz VZJRLPIFPXFQNP-LJGSYFOKSA-N -1 1 307.335 0.610 20 0 DCADMM COC(=O)c1ccc(NC[C@@H]2CCCOC2)c(-c2nnn[n-]2)n1 ZINC001591295647 1167203487 /nfs/dbraw/zinc/20/34/87/1167203487.db2.gz MLRZEHIOYJGKCE-VIFPVBQESA-N -1 1 318.337 0.887 20 0 DCADMM COC(=O)c1ccc(NC[C@@H]2CCCOC2)c(-c2nn[n-]n2)n1 ZINC001591295647 1167203490 /nfs/dbraw/zinc/20/34/90/1167203490.db2.gz MLRZEHIOYJGKCE-VIFPVBQESA-N -1 1 318.337 0.887 20 0 DCADMM COC(C)(C)CS(=O)(=O)Oc1cccnc1-c1nn[n-]n1 ZINC001591315119 1167210583 /nfs/dbraw/zinc/21/05/83/1167210583.db2.gz ZGZUEMPUUJLELT-UHFFFAOYSA-N -1 1 313.339 0.395 20 0 DCADMM COC1(C)CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591339191 1167223411 /nfs/dbraw/zinc/22/34/11/1167223411.db2.gz QOQULIHQRBAVFK-UHFFFAOYSA-N -1 1 302.338 0.903 20 0 DCADMM COC1(C)CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591339191 1167223419 /nfs/dbraw/zinc/22/34/19/1167223419.db2.gz QOQULIHQRBAVFK-UHFFFAOYSA-N -1 1 302.338 0.903 20 0 DCADMM CO[C@]1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCOC1 ZINC001591343025 1167226266 /nfs/dbraw/zinc/22/62/66/1167226266.db2.gz NXIGAHMGZUCQIG-AWEZNQCLSA-N -1 1 317.353 0.752 20 0 DCADMM CO[C@]1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCOC1 ZINC001591343025 1167226274 /nfs/dbraw/zinc/22/62/74/1167226274.db2.gz NXIGAHMGZUCQIG-AWEZNQCLSA-N -1 1 317.353 0.752 20 0 DCADMM COC[C@@]1(CO)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001591390045 1167259052 /nfs/dbraw/zinc/25/90/52/1167259052.db2.gz YIWFELKSCXOOHX-ZDUSSCGKSA-N -1 1 324.772 0.750 20 0 DCADMM COC[C@@]1(CO)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001591390045 1167259060 /nfs/dbraw/zinc/25/90/60/1167259060.db2.gz YIWFELKSCXOOHX-ZDUSSCGKSA-N -1 1 324.772 0.750 20 0 DCADMM COC[C@@H]1CCCN1Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001591393912 1167260296 /nfs/dbraw/zinc/26/02/96/1167260296.db2.gz IJJWDCIGMSEVEV-NSHDSACASA-N -1 1 304.354 0.405 20 0 DCADMM COCCC(=O)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001591394876 1167262848 /nfs/dbraw/zinc/26/28/48/1167262848.db2.gz BIFWYQPPWFGMIQ-UHFFFAOYSA-N -1 1 313.317 0.787 20 0 DCADMM COCC[C@@H]1COCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001591402637 1167269080 /nfs/dbraw/zinc/26/90/80/1167269080.db2.gz CRMRMSOAMGCACT-SECBINFHSA-N -1 1 310.383 0.561 20 0 DCADMM COCC[C@@H]1COCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001591402637 1167269090 /nfs/dbraw/zinc/26/90/90/1167269090.db2.gz CRMRMSOAMGCACT-SECBINFHSA-N -1 1 310.383 0.561 20 0 DCADMM COCCCCNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001591412762 1167272226 /nfs/dbraw/zinc/27/22/26/1167272226.db2.gz UWYONJNULJLKHP-UHFFFAOYSA-N -1 1 317.396 0.633 20 0 DCADMM COCCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591414811 1167275784 /nfs/dbraw/zinc/27/57/84/1167275784.db2.gz ZDIXABAKVDXGSM-UHFFFAOYSA-N -1 1 317.396 0.585 20 0 DCADMM COCCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591414811 1167275788 /nfs/dbraw/zinc/27/57/88/1167275788.db2.gz ZDIXABAKVDXGSM-UHFFFAOYSA-N -1 1 317.396 0.585 20 0 DCADMM COCCN(c1cncc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001591428978 1167280475 /nfs/dbraw/zinc/28/04/75/1167280475.db2.gz LPWVLKNTILEOKH-UHFFFAOYSA-N -1 1 305.342 0.289 20 0 DCADMM COCCN(c1cncc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC001591428978 1167280481 /nfs/dbraw/zinc/28/04/81/1167280481.db2.gz LPWVLKNTILEOKH-UHFFFAOYSA-N -1 1 305.342 0.289 20 0 DCADMM COCCOCCCCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591438035 1167286682 /nfs/dbraw/zinc/28/66/82/1167286682.db2.gz DYNRLPYVRRKBFL-UHFFFAOYSA-N -1 1 323.353 0.941 20 0 DCADMM COCCOCCCCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591438035 1167286687 /nfs/dbraw/zinc/28/66/87/1167286687.db2.gz DYNRLPYVRRKBFL-UHFFFAOYSA-N -1 1 323.353 0.941 20 0 DCADMM COCCOCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591440827 1167290024 /nfs/dbraw/zinc/29/00/24/1167290024.db2.gz VLKZFEJZFCGDBD-UHFFFAOYSA-N -1 1 305.342 0.609 20 0 DCADMM COCCOCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591440827 1167290030 /nfs/dbraw/zinc/29/00/30/1167290030.db2.gz VLKZFEJZFCGDBD-UHFFFAOYSA-N -1 1 305.342 0.609 20 0 DCADMM COCCOCCOC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591440188 1167290398 /nfs/dbraw/zinc/29/03/98/1167290398.db2.gz KROVOMXXACRBBI-UHFFFAOYSA-N -1 1 307.310 0.010 20 0 DCADMM COCCOCCOC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591440188 1167290404 /nfs/dbraw/zinc/29/04/04/1167290404.db2.gz KROVOMXXACRBBI-UHFFFAOYSA-N -1 1 307.310 0.010 20 0 DCADMM COc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c(Cl)n1 ZINC001591573879 1167333881 /nfs/dbraw/zinc/33/38/81/1167333881.db2.gz MDMBJQPLPDVWCS-UHFFFAOYSA-N -1 1 320.700 0.899 20 0 DCADMM COc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)c(F)c1 ZINC001591602323 1167335708 /nfs/dbraw/zinc/33/57/08/1167335708.db2.gz KFZXSGVHKYHJPL-UHFFFAOYSA-N -1 1 301.285 0.838 20 0 DCADMM COc1ncc(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)cc1-c1nn[n-]n1 ZINC001591664920 1167346773 /nfs/dbraw/zinc/34/67/73/1167346773.db2.gz OYRFMVSXFRTAOC-AVPPRXQKSA-N -1 1 314.305 0.434 20 0 DCADMM CS(=O)(=O)CC1(CNc2ncncc2-c2nn[n-]n2)CCC1 ZINC001591672735 1167347980 /nfs/dbraw/zinc/34/79/80/1167347980.db2.gz DNEKVECILCBBIZ-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM CS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001591673322 1167348983 /nfs/dbraw/zinc/34/89/83/1167348983.db2.gz QANRKXFRKIANRA-SECBINFHSA-N -1 1 313.408 0.547 20 0 DCADMM CSC1(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CCC1 ZINC001591688483 1167353158 /nfs/dbraw/zinc/35/31/58/1167353158.db2.gz WRZRGNRFTIGNDV-UHFFFAOYSA-N -1 1 323.382 0.364 20 0 DCADMM CS[C@H]1CC[C@@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001591693085 1167355748 /nfs/dbraw/zinc/35/57/48/1167355748.db2.gz ZNFXGOPZTJEBTF-BDAKNGLRSA-N -1 1 322.398 0.201 20 0 DCADMM CS[C@@H]1CC[C@H](NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591693053 1167355891 /nfs/dbraw/zinc/35/58/91/1167355891.db2.gz ZDVJCUOZDPUVFD-HRDYMLBCSA-N -1 1 322.398 0.420 20 0 DCADMM CSC[C@@H](CCO)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591696027 1167356123 /nfs/dbraw/zinc/35/61/23/1167356123.db2.gz PACJPBGPHHFAOG-MRVPVSSYSA-N -1 1 323.382 0.497 20 0 DCADMM CSC[C@@H](CCO)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591696027 1167356128 /nfs/dbraw/zinc/35/61/28/1167356128.db2.gz PACJPBGPHHFAOG-MRVPVSSYSA-N -1 1 323.382 0.497 20 0 DCADMM CSCCCNC(=S)NN=c1ccc(-c2nn[n-]n2)c[nH]1 ZINC001591700492 1167358402 /nfs/dbraw/zinc/35/84/02/1167358402.db2.gz YBBDBXNCQAJLGZ-UHFFFAOYSA-N -1 1 324.439 0.806 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H](C)CCO1 ZINC001591741664 1167364862 /nfs/dbraw/zinc/36/48/62/1167364862.db2.gz IHKKSKCPQAWIJN-NXEZZACHSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](C)CCO1 ZINC001591741664 1167364867 /nfs/dbraw/zinc/36/48/67/1167364867.db2.gz IHKKSKCPQAWIJN-NXEZZACHSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)C(C)(C)O ZINC001591771096 1167371800 /nfs/dbraw/zinc/37/18/00/1167371800.db2.gz WOOIBIFBXOZMOL-LURJTMIESA-N -1 1 317.396 0.366 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001591775465 1167374226 /nfs/dbraw/zinc/37/42/26/1167374226.db2.gz VFALVEDNPYJFFP-AEJSXWLSSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001591775465 1167374232 /nfs/dbraw/zinc/37/42/32/1167374232.db2.gz VFALVEDNPYJFFP-AEJSXWLSSA-N -1 1 314.353 0.326 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C/C=C/Cl)c(=O)n1C1CC1 ZINC001591794004 1167382131 /nfs/dbraw/zinc/38/21/31/1167382131.db2.gz UEGJQGHIPYRDDG-GORDUTHDSA-N -1 1 308.729 0.586 20 0 DCADMM Cc1n[nH]cc1CCCNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591794387 1167382234 /nfs/dbraw/zinc/38/22/34/1167382234.db2.gz DXCOEHXRPAGHGX-UHFFFAOYSA-N -1 1 312.337 0.656 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)nn1C ZINC001591798504 1167383135 /nfs/dbraw/zinc/38/31/35/1167383135.db2.gz LKDQRJSNWQCVFA-BDODKLCJSA-N -1 1 301.310 0.072 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)nn1C ZINC001591798504 1167383139 /nfs/dbraw/zinc/38/31/39/1167383139.db2.gz LKDQRJSNWQCVFA-BDODKLCJSA-N -1 1 301.310 0.072 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(CC2CCC2)[C@H](C)CO)n1 ZINC001591884634 1167411552 /nfs/dbraw/zinc/41/15/52/1167411552.db2.gz PMCBKXNPXKELGV-SNVBAGLBSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(CC2CCC2)[C@H](C)CO)n1 ZINC001591884634 1167411556 /nfs/dbraw/zinc/41/15/56/1167411556.db2.gz PMCBKXNPXKELGV-SNVBAGLBSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2(C(N)=O)CCCC2)n1 ZINC001591896120 1167412865 /nfs/dbraw/zinc/41/28/65/1167412865.db2.gz WQERNFFUYFBOMW-UHFFFAOYSA-N -1 1 302.342 0.423 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2(C(N)=O)CCCC2)n1 ZINC001591896120 1167412867 /nfs/dbraw/zinc/41/28/67/1167412867.db2.gz WQERNFFUYFBOMW-UHFFFAOYSA-N -1 1 302.342 0.423 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCNC(=O)CC2CC2)n1 ZINC001591898824 1167413936 /nfs/dbraw/zinc/41/39/36/1167413936.db2.gz UMBDOGZOZXAMMI-UHFFFAOYSA-N -1 1 316.369 0.683 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCNC(=O)CC2CC2)n1 ZINC001591898824 1167413939 /nfs/dbraw/zinc/41/39/39/1167413939.db2.gz UMBDOGZOZXAMMI-UHFFFAOYSA-N -1 1 316.369 0.683 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cc(C)nc(C)n2)c1-c1nnn[n-]1 ZINC001591932592 1167419687 /nfs/dbraw/zinc/41/96/87/1167419687.db2.gz GKGPMDHMXFBYHX-UHFFFAOYSA-N -1 1 313.325 0.568 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cc(C)nc(C)n2)c1-c1nn[n-]n1 ZINC001591932592 1167419691 /nfs/dbraw/zinc/41/96/91/1167419691.db2.gz GKGPMDHMXFBYHX-UHFFFAOYSA-N -1 1 313.325 0.568 20 0 DCADMM Cc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)n(C)n1 ZINC001591929371 1167420090 /nfs/dbraw/zinc/42/00/90/1167420090.db2.gz ZZEVOCSXSMRCDB-UHFFFAOYSA-N -1 1 304.339 0.295 20 0 DCADMM Cc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)n(C)n1 ZINC001591929371 1167420097 /nfs/dbraw/zinc/42/00/97/1167420097.db2.gz ZZEVOCSXSMRCDB-UHFFFAOYSA-N -1 1 304.339 0.295 20 0 DCADMM Cc1cc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)n(C)n1 ZINC001591935524 1167422473 /nfs/dbraw/zinc/42/24/73/1167422473.db2.gz VHZDVEYOYIKPIF-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1cc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)n(C)n1 ZINC001591935524 1167422474 /nfs/dbraw/zinc/42/24/74/1167422474.db2.gz VHZDVEYOYIKPIF-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1cc(C)nc(C2CN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001591956561 1167425143 /nfs/dbraw/zinc/42/51/43/1167425143.db2.gz GRCRNPISMKNRDK-UHFFFAOYSA-N -1 1 309.337 0.667 20 0 DCADMM Cc1cc(C)nc(C2CN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001591956561 1167425145 /nfs/dbraw/zinc/42/51/45/1167425145.db2.gz GRCRNPISMKNRDK-UHFFFAOYSA-N -1 1 309.337 0.667 20 0 DCADMM Cc1cc(N2CC[C@@H](OC(=O)N(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001592002450 1167432289 /nfs/dbraw/zinc/43/22/89/1167432289.db2.gz VVNCCYWKRNHCMP-LLVKDONJSA-N -1 1 317.353 0.847 20 0 DCADMM Cc1cc(N2CC[C@@H](OC(=O)N(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001592002450 1167432294 /nfs/dbraw/zinc/43/22/94/1167432294.db2.gz VVNCCYWKRNHCMP-LLVKDONJSA-N -1 1 317.353 0.847 20 0 DCADMM Cc1cc(N[C@H]2CC(=O)N(C(C)C)C2)nc(-c2nnn[n-]2)c1 ZINC001592035839 1167441549 /nfs/dbraw/zinc/44/15/49/1167441549.db2.gz BEFOXEZBUZCQLU-JTQLQIEISA-N -1 1 301.354 0.991 20 0 DCADMM Cc1cc(N[C@H]2CC(=O)N(C(C)C)C2)nc(-c2nn[n-]n2)c1 ZINC001592035839 1167441552 /nfs/dbraw/zinc/44/15/52/1167441552.db2.gz BEFOXEZBUZCQLU-JTQLQIEISA-N -1 1 301.354 0.991 20 0 DCADMM Cc1cc(N[C@H]2CC(=O)N(C(C)(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001592035951 1167442353 /nfs/dbraw/zinc/44/23/53/1167442353.db2.gz HKZBUMKIMGDGHX-NSHDSACASA-N -1 1 315.381 0.803 20 0 DCADMM Cc1cc(N[C@H]2CC(=O)N(C(C)(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001592035951 1167442360 /nfs/dbraw/zinc/44/23/60/1167442360.db2.gz HKZBUMKIMGDGHX-NSHDSACASA-N -1 1 315.381 0.803 20 0 DCADMM Cc1ccc(Cl)c(NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001592170508 1167468069 /nfs/dbraw/zinc/46/80/69/1167468069.db2.gz LHTMTTJVZLKLEF-UHFFFAOYSA-N -1 1 305.733 0.927 20 0 DCADMM Cc1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)nc1-c1nnn[n-]1 ZINC001592176364 1167470316 /nfs/dbraw/zinc/47/03/16/1167470316.db2.gz LNIHFTIGUJKZFC-SNVBAGLBSA-N -1 1 322.394 0.584 20 0 DCADMM Cc1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)nc1-c1nn[n-]n1 ZINC001592176364 1167470321 /nfs/dbraw/zinc/47/03/21/1167470321.db2.gz LNIHFTIGUJKZFC-SNVBAGLBSA-N -1 1 322.394 0.584 20 0 DCADMM Cc1ccc(N2CCC(S(C)(=O)=O)CC2)c(-c2nnn[n-]2)n1 ZINC001592177716 1167470518 /nfs/dbraw/zinc/47/05/18/1167470518.db2.gz GYHNNPKSCNVNIF-UHFFFAOYSA-N -1 1 322.394 0.584 20 0 DCADMM Cc1ccc(N2CCC(S(C)(=O)=O)CC2)c(-c2nn[n-]n2)n1 ZINC001592177716 1167470530 /nfs/dbraw/zinc/47/05/30/1167470530.db2.gz GYHNNPKSCNVNIF-UHFFFAOYSA-N -1 1 322.394 0.584 20 0 DCADMM Cc1ccc(O)cc1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592186284 1167473469 /nfs/dbraw/zinc/47/34/69/1167473469.db2.gz ICODHVXKUVBIOP-MRVPVSSYSA-N -1 1 314.309 0.672 20 0 DCADMM Cc1ccc2nnc(CNC(=O)c3coc(-c4nnn[n-]4)c3)n2c1 ZINC001592213282 1167474892 /nfs/dbraw/zinc/47/48/92/1167474892.db2.gz XZSBDKPJBDAYTM-UHFFFAOYSA-N -1 1 324.304 0.741 20 0 DCADMM Cc1ccc2nnc(CNC(=O)c3coc(-c4nn[n-]n4)c3)n2c1 ZINC001592213282 1167474896 /nfs/dbraw/zinc/47/48/96/1167474896.db2.gz XZSBDKPJBDAYTM-UHFFFAOYSA-N -1 1 324.304 0.741 20 0 DCADMM Cc1cccc(N(C)C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592232892 1167477535 /nfs/dbraw/zinc/47/75/35/1167477535.db2.gz RRDMXKRRMWCJPA-JTQLQIEISA-N -1 1 312.337 0.991 20 0 DCADMM Cc1ccnc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592271556 1167482607 /nfs/dbraw/zinc/48/26/07/1167482607.db2.gz GFWGFZYPIBCEPB-VIFPVBQESA-N -1 1 314.309 0.466 20 0 DCADMM Cc1cnc(CNC(=O)c2ccsc2-c2nnn[n-]2)nc1 ZINC001592293365 1167484001 /nfs/dbraw/zinc/48/40/01/1167484001.db2.gz PBQXWRFEWZYMEL-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1cnc(CNC(=O)c2ccsc2-c2nn[n-]n2)nc1 ZINC001592293365 1167484009 /nfs/dbraw/zinc/48/40/09/1167484009.db2.gz PBQXWRFEWZYMEL-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1cnccc1CCNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592301054 1167486322 /nfs/dbraw/zinc/48/63/22/1167486322.db2.gz ZENVBUHLQJJMTP-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1cnccc1CCNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592301054 1167486326 /nfs/dbraw/zinc/48/63/26/1167486326.db2.gz ZENVBUHLQJJMTP-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1[nH]nc(NC(=O)CCn2cc(Cl)cn2)c1-c1nn[n-]n1 ZINC001592328423 1167489013 /nfs/dbraw/zinc/48/90/13/1167489013.db2.gz SHDMTFJXZUDWCI-UHFFFAOYSA-N -1 1 321.732 0.777 20 0 DCADMM Cc1nc(-c2nn[n-]n2)c(NNC(=S)NCC2CCC2)o1 ZINC001592338640 1167493194 /nfs/dbraw/zinc/49/31/94/1167493194.db2.gz KWFZFROBKWIGHB-UHFFFAOYSA-N -1 1 308.371 0.754 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@]3(C2)CCCOC3)n1 ZINC001592338300 1167493216 /nfs/dbraw/zinc/49/32/16/1167493216.db2.gz YCEPLSXGLUNCFO-CQSZACIVSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@]3(C2)CCCOC3)n1 ZINC001592338300 1167493219 /nfs/dbraw/zinc/49/32/19/1167493219.db2.gz YCEPLSXGLUNCFO-CQSZACIVSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)n1 ZINC001592339289 1167493276 /nfs/dbraw/zinc/49/32/76/1167493276.db2.gz GHBPFVHICZDABM-AXFHLTTASA-N -1 1 301.354 0.562 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)n1 ZINC001592339289 1167493280 /nfs/dbraw/zinc/49/32/80/1167493280.db2.gz GHBPFVHICZDABM-AXFHLTTASA-N -1 1 301.354 0.562 20 0 DCADMM Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592398998 1167513044 /nfs/dbraw/zinc/51/30/44/1167513044.db2.gz YKRIYWHQRQRBGX-UHFFFAOYSA-N -1 1 303.238 0.222 20 0 DCADMM Cc1nsc(N2CC(N3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001592472100 1167531124 /nfs/dbraw/zinc/53/11/24/1167531124.db2.gz OUTJEOKNEHYMTG-UHFFFAOYSA-N -1 1 307.383 0.152 20 0 DCADMM Cc1nsc(N2C[C@H](CO)[C@@H](CCO)C2)c1-c1nn[n-]n1 ZINC001592471849 1167533137 /nfs/dbraw/zinc/53/31/37/1167533137.db2.gz IGFGRUCYNRDSHZ-DTWKUNHWSA-N -1 1 310.383 0.059 20 0 DCADMM Cc1nsc(N2CCN(C(=O)C3CC3)CC2)c1-c1nn[n-]n1 ZINC001592473665 1167534755 /nfs/dbraw/zinc/53/47/55/1167534755.db2.gz RXZLFNPOKPYLGF-UHFFFAOYSA-N -1 1 319.394 0.690 20 0 DCADMM Cc1nsc(N2CCN(C(=O)C3CC3)C2)c1-c1nn[n-]n1 ZINC001592473505 1167535190 /nfs/dbraw/zinc/53/51/90/1167535190.db2.gz FUCJQWSQKUEXHQ-UHFFFAOYSA-N -1 1 305.367 0.648 20 0 DCADMM Cc1nsc(NC(=O)N[C@](C)(CO)C2CC2)c1-c1nnn[n-]1 ZINC001592480903 1167535497 /nfs/dbraw/zinc/53/54/97/1167535497.db2.gz YMKBIXNNMDHUGO-GFCCVEGCSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)N[C@](C)(CO)C2CC2)c1-c1nn[n-]n1 ZINC001592480903 1167535503 /nfs/dbraw/zinc/53/55/03/1167535503.db2.gz YMKBIXNNMDHUGO-GFCCVEGCSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCNc1ccn(C)n1 ZINC001592501326 1167541464 /nfs/dbraw/zinc/54/14/64/1167541464.db2.gz NZEYVVFEEWUKKA-UHFFFAOYSA-N -1 1 316.325 0.344 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCNc1ccn(C)n1 ZINC001592501326 1167541470 /nfs/dbraw/zinc/54/14/70/1167541470.db2.gz NZEYVVFEEWUKKA-UHFFFAOYSA-N -1 1 316.325 0.344 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@@H](O)C23CCC3)c1-c1nnn[n-]1 ZINC001592517586 1167546245 /nfs/dbraw/zinc/54/62/45/1167546245.db2.gz NAHSNRBLPOHWGN-NXEZZACHSA-N -1 1 318.337 0.125 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@@H](O)C23CCC3)c1-c1nn[n-]n1 ZINC001592517586 1167546251 /nfs/dbraw/zinc/54/62/51/1167546251.db2.gz NAHSNRBLPOHWGN-NXEZZACHSA-N -1 1 318.337 0.125 20 0 DCADMM Cc1onc(CC(=O)N[C@H](CO)CC2CCC2)c1-c1nnn[n-]1 ZINC001592516000 1167546759 /nfs/dbraw/zinc/54/67/59/1167546759.db2.gz WJLYKUBYJHZWGK-JTQLQIEISA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)N[C@H](CO)CC2CCC2)c1-c1nn[n-]n1 ZINC001592516000 1167546760 /nfs/dbraw/zinc/54/67/60/1167546760.db2.gz WJLYKUBYJHZWGK-JTQLQIEISA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCC(C)(C)O2)c1-c1nnn[n-]1 ZINC001592516974 1167546771 /nfs/dbraw/zinc/54/67/71/1167546771.db2.gz CZOSZEFIDFYGRB-VIFPVBQESA-N -1 1 320.353 0.779 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCC(C)(C)O2)c1-c1nn[n-]n1 ZINC001592516974 1167546776 /nfs/dbraw/zinc/54/67/76/1167546776.db2.gz CZOSZEFIDFYGRB-VIFPVBQESA-N -1 1 320.353 0.779 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCCSC2)c1-c1nnn[n-]1 ZINC001592517818 1167547322 /nfs/dbraw/zinc/54/73/22/1167547322.db2.gz SNABMZAIMWBSEC-VIFPVBQESA-N -1 1 322.394 0.965 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCCSC2)c1-c1nn[n-]n1 ZINC001592517818 1167547330 /nfs/dbraw/zinc/54/73/30/1167547330.db2.gz SNABMZAIMWBSEC-VIFPVBQESA-N -1 1 322.394 0.965 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1=O ZINC001592558260 1167557894 /nfs/dbraw/zinc/55/78/94/1167557894.db2.gz XOYJHKIWPGZAHK-BBBLOLIVSA-N -1 1 302.338 0.163 20 0 DCADMM Cn1c(CNc2cc(-c3nnn[n-]3)ncn2)nnc1C1CCC1 ZINC001592552800 1167559389 /nfs/dbraw/zinc/55/93/89/1167559389.db2.gz RVGDSGIDBQVBJM-UHFFFAOYSA-N -1 1 312.341 0.665 20 0 DCADMM Cn1c(CNc2cc(-c3nn[n-]n3)ncn2)nnc1C1CCC1 ZINC001592552800 1167559395 /nfs/dbraw/zinc/55/93/95/1167559395.db2.gz RVGDSGIDBQVBJM-UHFFFAOYSA-N -1 1 312.341 0.665 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(F)(F)C(F)F)n1 ZINC001592560100 1167561288 /nfs/dbraw/zinc/56/12/88/1167561288.db2.gz YCQVUBPGGDBHKT-UHFFFAOYSA-N -1 1 322.226 0.622 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(F)(F)C(F)F)n1 ZINC001592560100 1167561293 /nfs/dbraw/zinc/56/12/93/1167561293.db2.gz YCQVUBPGGDBHKT-UHFFFAOYSA-N -1 1 322.226 0.622 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccn(C(C)(C)C)n2)n1 ZINC001592560297 1167561524 /nfs/dbraw/zinc/56/15/24/1167561524.db2.gz YRZBWSABFVVUNZ-UHFFFAOYSA-N -1 1 315.341 0.804 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccn(C(C)(C)C)n2)n1 ZINC001592560297 1167561535 /nfs/dbraw/zinc/56/15/35/1167561535.db2.gz YRZBWSABFVVUNZ-UHFFFAOYSA-N -1 1 315.341 0.804 20 0 DCADMM Cn1ccnc1[C@@H]1N(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001592585114 1167571327 /nfs/dbraw/zinc/57/13/27/1167571327.db2.gz OSQODRDBBZDLFO-NSHDSACASA-N -1 1 311.353 0.978 20 0 DCADMM Cn1ccnc1[C@@H]1N(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001592585114 1167571335 /nfs/dbraw/zinc/57/13/35/1167571335.db2.gz OSQODRDBBZDLFO-NSHDSACASA-N -1 1 311.353 0.978 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001592590798 1167572467 /nfs/dbraw/zinc/57/24/67/1167572467.db2.gz BOXIEURGSOKPIO-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001592590798 1167572474 /nfs/dbraw/zinc/57/24/74/1167572474.db2.gz BOXIEURGSOKPIO-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ncnc1CCOC(=O)c1sccc1-c1nn[n-]n1 ZINC001592607180 1167580487 /nfs/dbraw/zinc/58/04/87/1167580487.db2.gz VVPXWQQLYHPMKK-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM Cn1nccc1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592604029 1167582717 /nfs/dbraw/zinc/58/27/17/1167582717.db2.gz HBLLIUKNLVYOSY-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1nccc1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592604029 1167582725 /nfs/dbraw/zinc/58/27/25/1167582725.db2.gz HBLLIUKNLVYOSY-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1nnc2cc(NC(=O)c3cccc(-c4nnn[n-]4)n3)ccc21 ZINC001592611370 1167583905 /nfs/dbraw/zinc/58/39/05/1167583905.db2.gz WVOKJBJRKUYVPZ-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1nnc2cc(NC(=O)c3cccc(-c4nn[n-]n4)n3)ccc21 ZINC001592611370 1167583913 /nfs/dbraw/zinc/58/39/13/1167583913.db2.gz WVOKJBJRKUYVPZ-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM FC(F)(F)c1nnc(Cn2cc(-c3nn[n-]n3)nn2)s1 ZINC001592625564 1167586900 /nfs/dbraw/zinc/58/69/00/1167586900.db2.gz XDYBJXGLVJIWNM-UHFFFAOYSA-N -1 1 303.233 0.377 20 0 DCADMM NC(=O)CN(C(=O)c1csc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001592728312 1167619046 /nfs/dbraw/zinc/61/90/46/1167619046.db2.gz PFEYWRAJPKAVHE-UHFFFAOYSA-N -1 1 320.378 0.798 20 0 DCADMM Nc1ncncc1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592763665 1167638919 /nfs/dbraw/zinc/63/89/19/1167638919.db2.gz FQZLCSMDFANOPC-UHFFFAOYSA-N -1 1 314.284 0.308 20 0 DCADMM Nc1ncncc1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592763665 1167638922 /nfs/dbraw/zinc/63/89/22/1167638922.db2.gz FQZLCSMDFANOPC-UHFFFAOYSA-N -1 1 314.284 0.308 20 0 DCADMM O=C(CC1CCC1)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592819670 1167644573 /nfs/dbraw/zinc/64/45/73/1167644573.db2.gz HUHTYXFZFPMLLX-UHFFFAOYSA-N -1 1 316.369 0.187 20 0 DCADMM O=C(CO[C@@H]1CCOC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592886390 1167657552 /nfs/dbraw/zinc/65/75/52/1167657552.db2.gz MDJFGLXFXMDVJU-SNVBAGLBSA-N -1 1 305.294 0.110 20 0 DCADMM O=C(CO[C@@H]1CCOC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592886390 1167657556 /nfs/dbraw/zinc/65/75/56/1167657556.db2.gz MDJFGLXFXMDVJU-SNVBAGLBSA-N -1 1 305.294 0.110 20 0 DCADMM O=C(COCc1cccnc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592886895 1167657735 /nfs/dbraw/zinc/65/77/35/1167657735.db2.gz MAMXBGSRXHSVSN-UHFFFAOYSA-N -1 1 300.282 0.140 20 0 DCADMM O=C(COCc1cccnc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592886895 1167657739 /nfs/dbraw/zinc/65/77/39/1167657739.db2.gz MAMXBGSRXHSVSN-UHFFFAOYSA-N -1 1 300.282 0.140 20 0 DCADMM O=C(COc1ccccc1)Cn1cncc(-c2nn[n-]n2)c1=O ZINC001592895493 1167659583 /nfs/dbraw/zinc/65/95/83/1167659583.db2.gz LOSZFEDJPZHXIJ-UHFFFAOYSA-N -1 1 312.289 0.072 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCC1(CO)CCC1 ZINC001592914191 1167663524 /nfs/dbraw/zinc/66/35/24/1167663524.db2.gz QPFFQHNYIPYYGI-UHFFFAOYSA-N -1 1 316.365 0.473 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCC1(CO)CCC1 ZINC001592914191 1167663526 /nfs/dbraw/zinc/66/35/26/1167663526.db2.gz QPFFQHNYIPYYGI-UHFFFAOYSA-N -1 1 316.365 0.473 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCn2ccnc21 ZINC001592914459 1167663648 /nfs/dbraw/zinc/66/36/48/1167663648.db2.gz ACNWSBWODCPSLM-LLVKDONJSA-N -1 1 310.321 0.262 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCn2ccnc21 ZINC001592914459 1167663650 /nfs/dbraw/zinc/66/36/50/1167663650.db2.gz ACNWSBWODCPSLM-LLVKDONJSA-N -1 1 310.321 0.262 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC[C@@H]1CCOC1=O ZINC001592915725 1167665195 /nfs/dbraw/zinc/66/51/95/1167665195.db2.gz ZZHIHQXDTOTUEZ-SNVBAGLBSA-N -1 1 317.305 0.301 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC[C@@H]1CCOC1=O ZINC001592915725 1167665198 /nfs/dbraw/zinc/66/51/98/1167665198.db2.gz ZZHIHQXDTOTUEZ-SNVBAGLBSA-N -1 1 317.305 0.301 20 0 DCADMM O=C(Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)c1ccc[nH]1 ZINC001592937370 1167668127 /nfs/dbraw/zinc/66/81/27/1167668127.db2.gz WHTHAUVHOPTGNC-UHFFFAOYSA-N -1 1 310.317 0.728 20 0 DCADMM O=C(N[C@H](CO)c1ccccn1)c1cccc(-c2nnn[n-]2)n1 ZINC001592954433 1167674058 /nfs/dbraw/zinc/67/40/58/1167674058.db2.gz MZWVGAFELGSEIP-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@H](CO)c1ccccn1)c1cccc(-c2nn[n-]n2)n1 ZINC001592954433 1167674062 /nfs/dbraw/zinc/67/40/62/1167674062.db2.gz MZWVGAFELGSEIP-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@@H]1CCn2cncc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592995485 1167680705 /nfs/dbraw/zinc/68/07/05/1167680705.db2.gz BTVPLOUZNGRSTH-SNVBAGLBSA-N -1 1 310.321 0.203 20 0 DCADMM O=C(NC[C@@H](O)c1cccnc1)c1ccsc1-c1nnn[n-]1 ZINC001593013803 1167688352 /nfs/dbraw/zinc/68/83/52/1167688352.db2.gz LKYXODIQOIQKFW-SNVBAGLBSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@@H](O)c1cccnc1)c1ccsc1-c1nn[n-]n1 ZINC001593013803 1167688354 /nfs/dbraw/zinc/68/83/54/1167688354.db2.gz LKYXODIQOIQKFW-SNVBAGLBSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NCCCN1CCCC1=O)c1cccc(-c2nnn[n-]2)n1 ZINC001593071346 1167698710 /nfs/dbraw/zinc/69/87/10/1167698710.db2.gz RWTARKXGEUXJIF-UHFFFAOYSA-N -1 1 315.337 0.004 20 0 DCADMM O=C(NCCCN1CCCC1=O)c1cccc(-c2nn[n-]n2)n1 ZINC001593071346 1167698715 /nfs/dbraw/zinc/69/87/15/1167698715.db2.gz RWTARKXGEUXJIF-UHFFFAOYSA-N -1 1 315.337 0.004 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@H]1CCC=CCCC1 ZINC001593109498 1167710906 /nfs/dbraw/zinc/71/09/06/1167710906.db2.gz MASFIQUWDQJZLF-NSHDSACASA-N -1 1 316.369 0.711 20 0 DCADMM O=C(NC[C@@H](O)C(F)(F)F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593113085 1167711179 /nfs/dbraw/zinc/71/11/79/1167711179.db2.gz YPYGCQBUDYKSPI-ZCFIWIBFSA-N -1 1 317.231 0.306 20 0 DCADMM O=C(NC[C@@H](O)C(F)(F)F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593113085 1167711185 /nfs/dbraw/zinc/71/11/85/1167711185.db2.gz YPYGCQBUDYKSPI-ZCFIWIBFSA-N -1 1 317.231 0.306 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NOC/C=C\Cl ZINC001593151230 1167727167 /nfs/dbraw/zinc/72/71/67/1167727167.db2.gz RZYNKJHEJNFZKE-UPHRSURJSA-N -1 1 315.746 0.807 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NOC/C=C\Cl ZINC001593151230 1167727174 /nfs/dbraw/zinc/72/71/74/1167727174.db2.gz RZYNKJHEJNFZKE-UPHRSURJSA-N -1 1 315.746 0.807 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NOC1CCCC1 ZINC001593151463 1167728037 /nfs/dbraw/zinc/72/80/37/1167728037.db2.gz YHTDFLZPLGBNTO-UHFFFAOYSA-N -1 1 309.355 0.997 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NOC1CCCC1 ZINC001593151463 1167728045 /nfs/dbraw/zinc/72/80/45/1167728045.db2.gz YHTDFLZPLGBNTO-UHFFFAOYSA-N -1 1 309.355 0.997 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@]12CCO[C@H]1CCCC2 ZINC001593197281 1167734574 /nfs/dbraw/zinc/73/45/74/1167734574.db2.gz HZOPNMAVUPOLID-ZANVPECISA-N -1 1 303.326 0.878 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@]12CCO[C@H]1CCCC2 ZINC001593197281 1167734581 /nfs/dbraw/zinc/73/45/81/1167734581.db2.gz HZOPNMAVUPOLID-ZANVPECISA-N -1 1 303.326 0.878 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N(CCCO)C1CC1 ZINC001593244499 1167742814 /nfs/dbraw/zinc/74/28/14/1167742814.db2.gz YNQKCAGZCLSWQO-UHFFFAOYSA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N(CCCO)C1CC1 ZINC001593244499 1167742817 /nfs/dbraw/zinc/74/28/17/1167742817.db2.gz YNQKCAGZCLSWQO-UHFFFAOYSA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N[C@H]1CC=CCC1 ZINC001593243590 1167743300 /nfs/dbraw/zinc/74/33/00/1167743300.db2.gz NHZWVSURWCLTDR-VIFPVBQESA-N -1 1 313.321 0.425 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N[C@H]1CC=CCC1 ZINC001593243590 1167743310 /nfs/dbraw/zinc/74/33/10/1167743310.db2.gz NHZWVSURWCLTDR-VIFPVBQESA-N -1 1 313.321 0.425 20 0 DCADMM O=C(OCCOC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001593290058 1167760062 /nfs/dbraw/zinc/76/00/62/1167760062.db2.gz DSPNIESHXMIXRK-SECBINFHSA-N -1 1 308.294 0.812 20 0 DCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@]12CCOC2 ZINC001593301786 1167764681 /nfs/dbraw/zinc/76/46/81/1167764681.db2.gz FKGNXLGBDBDOBH-HZMBPMFUSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@]12CCOC2 ZINC001593301786 1167764684 /nfs/dbraw/zinc/76/46/84/1167764684.db2.gz FKGNXLGBDBDOBH-HZMBPMFUSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1C[C@@H](O)C2(CC2)C1 ZINC001593313836 1167765792 /nfs/dbraw/zinc/76/57/92/1167765792.db2.gz GVCJUXVUJVZUQN-LLVKDONJSA-N -1 1 324.344 0.945 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@](O)(C(F)F)C1 ZINC001593336840 1167778853 /nfs/dbraw/zinc/77/88/53/1167778853.db2.gz GCKJQRFYQHKAFO-GFCCVEGCSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@](O)(C(F)F)C1 ZINC001593336840 1167778860 /nfs/dbraw/zinc/77/88/60/1167778860.db2.gz GCKJQRFYQHKAFO-GFCCVEGCSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](c2cnccn2)C1 ZINC001593337324 1167779361 /nfs/dbraw/zinc/77/93/61/1167779361.db2.gz XKOAGUVTSCRRIW-LLVKDONJSA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](c2cnccn2)C1 ZINC001593337324 1167779367 /nfs/dbraw/zinc/77/93/67/1167779367.db2.gz XKOAGUVTSCRRIW-LLVKDONJSA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H]1C1OCCO1 ZINC001593339084 1167779944 /nfs/dbraw/zinc/77/99/44/1167779944.db2.gz MWVADJLBHVQJIN-MRVPVSSYSA-N -1 1 305.294 0.437 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H]1C1OCCO1 ZINC001593339084 1167779949 /nfs/dbraw/zinc/77/99/49/1167779949.db2.gz MWVADJLBHVQJIN-MRVPVSSYSA-N -1 1 305.294 0.437 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@H](CF)C1 ZINC001593350899 1167784089 /nfs/dbraw/zinc/78/40/89/1167784089.db2.gz YBNXFVGSEKASBA-MRVPVSSYSA-N -1 1 309.276 0.816 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@H](CF)C1 ZINC001593350899 1167784098 /nfs/dbraw/zinc/78/40/98/1167784098.db2.gz YBNXFVGSEKASBA-MRVPVSSYSA-N -1 1 309.276 0.816 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCc2c[nH]nc2C1 ZINC001593362125 1167788495 /nfs/dbraw/zinc/78/84/95/1167788495.db2.gz HMMNDXVLOQRRGZ-UHFFFAOYSA-N -1 1 301.335 0.850 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCc2c[nH]nc2C1 ZINC001593362125 1167788500 /nfs/dbraw/zinc/78/85/00/1167788500.db2.gz HMMNDXVLOQRRGZ-UHFFFAOYSA-N -1 1 301.335 0.850 20 0 DCADMM O=S(=O)(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593433579 1167838477 /nfs/dbraw/zinc/83/84/77/1167838477.db2.gz ANAFWHIAZIROAW-OPRDCNLKSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593433579 1167838482 /nfs/dbraw/zinc/83/84/82/1167838482.db2.gz ANAFWHIAZIROAW-OPRDCNLKSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H](CF)C1 ZINC001593454649 1167844263 /nfs/dbraw/zinc/84/42/63/1167844263.db2.gz LCKXZCUEOVLPKC-QMMMGPOBSA-N -1 1 315.330 0.830 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001593489187 1167874332 /nfs/dbraw/zinc/87/43/32/1167874332.db2.gz CZEWLMIYNPDDHE-KHQFGBGNSA-N -1 1 304.310 0.087 20 0 DCADMM O=c1oc(-c2ccco2)nn1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593498174 1167880875 /nfs/dbraw/zinc/88/08/75/1167880875.db2.gz SHPXCEMTKMRZQA-UHFFFAOYSA-N -1 1 300.234 0.918 20 0 DCADMM O=c1oc(-c2ccco2)nn1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593498174 1167880883 /nfs/dbraw/zinc/88/08/83/1167880883.db2.gz SHPXCEMTKMRZQA-UHFFFAOYSA-N -1 1 300.234 0.918 20 0 DCADMM O[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC001593508011 1167884604 /nfs/dbraw/zinc/88/46/04/1167884604.db2.gz WUYUETOCDPFEKC-PHDIDXHHSA-N -1 1 316.774 0.928 20 0 DCADMM O[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC001593508011 1167884618 /nfs/dbraw/zinc/88/46/18/1167884618.db2.gz WUYUETOCDPFEKC-PHDIDXHHSA-N -1 1 316.774 0.928 20 0 DCADMM O[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1(F)F ZINC001593518513 1167891664 /nfs/dbraw/zinc/89/16/64/1167891664.db2.gz APQXNVHKPZDSIS-SECBINFHSA-N -1 1 323.307 0.740 20 0 DCADMM O[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1(F)F ZINC001593518513 1167891665 /nfs/dbraw/zinc/89/16/65/1167891665.db2.gz APQXNVHKPZDSIS-SECBINFHSA-N -1 1 323.307 0.740 20 0 DCADMM OC[C@@H](CNc1cncc(-c2nn[n-]n2)n1)Cc1ccoc1 ZINC001593525790 1167900108 /nfs/dbraw/zinc/90/01/08/1167900108.db2.gz YFQANLDMSRVRBB-SNVBAGLBSA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@@H](CNc1cncc(-c2nnn[n-]2)n1)Cc1ccoc1 ZINC001593525790 1167900100 /nfs/dbraw/zinc/90/01/00/1167900100.db2.gz YFQANLDMSRVRBB-SNVBAGLBSA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@@H]1O ZINC001593529273 1167904283 /nfs/dbraw/zinc/90/42/83/1167904283.db2.gz 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CCCSCC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001605348585 1169900909 /nfs/dbraw/zinc/90/09/09/1169900909.db2.gz VESYIYSNPXIUAC-UHFFFAOYSA-N -1 1 317.455 0.290 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C ZINC001605400355 1169912299 /nfs/dbraw/zinc/91/22/99/1169912299.db2.gz ACMNRNGSWRWQLJ-QMMMGPOBSA-N -1 1 304.358 0.041 20 0 DCADMM C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001605431909 1169918465 /nfs/dbraw/zinc/91/84/65/1169918465.db2.gz OKZCEZSQMHJSND-RNFRBKRXSA-N -1 1 315.380 0.072 20 0 DCADMM C[C@@H]1C[N@H+](CCN(C)c2cccc(-c3nn[nH]n3)n2)C[C@H](C)O1 ZINC001605443376 1169922431 /nfs/dbraw/zinc/92/24/31/1169922431.db2.gz REMFHXAPQIOLDC-TXEJJXNPSA-N -1 1 317.397 0.807 20 0 DCADMM CCNC(=O)NC(=O)CN1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001605495010 1169939566 /nfs/dbraw/zinc/93/95/66/1169939566.db2.gz KYIPKHGCEAYTDQ-MRXNPFEDSA-N -1 1 319.361 0.560 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC001605509928 1169943480 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Cc1ccc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001605830730 1170008337 /nfs/dbraw/zinc/00/83/37/1170008337.db2.gz ZLRNZIDEKKBPPH-JTQLQIEISA-N -1 1 312.337 0.644 20 0 DCADMM Cc1ccc(N2CCN(CC(F)F)CC2)c(-c2nnn[n-]2)n1 ZINC001605867796 1170018709 /nfs/dbraw/zinc/01/87/09/1170018709.db2.gz XEGHWMHUAUBSFR-UHFFFAOYSA-N -1 1 309.324 0.957 20 0 DCADMM Cc1ccc(N2CCN(CC(F)F)CC2)c(-c2nn[n-]n2)n1 ZINC001605867796 1170018717 /nfs/dbraw/zinc/01/87/17/1170018717.db2.gz XEGHWMHUAUBSFR-UHFFFAOYSA-N -1 1 309.324 0.957 20 0 DCADMM Cc1ccc(O)c(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001605875857 1170019522 /nfs/dbraw/zinc/01/95/22/1170019522.db2.gz RDUROVSDZKDNOZ-ZETCQYMHSA-N -1 1 315.297 0.067 20 0 DCADMM CCn1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001605928004 1170028563 /nfs/dbraw/zinc/02/85/63/1170028563.db2.gz SWXUIHDIJSQQIN-CYDGBPFRSA-N -1 1 306.366 0.361 20 0 DCADMM Cc1ccncc1N1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001605962744 1170037205 /nfs/dbraw/zinc/03/72/05/1170037205.db2.gz JLHIAHDEFGLVQS-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1ccncc1N1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001605962744 1170037209 /nfs/dbraw/zinc/03/72/09/1170037209.db2.gz JLHIAHDEFGLVQS-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1cnc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)cn1 ZINC001605978704 1170040817 /nfs/dbraw/zinc/04/08/17/1170040817.db2.gz CUHIBEPJTFOHJT-UHFFFAOYSA-N -1 1 309.333 0.664 20 0 DCADMM Cc1cnn(CC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001605989550 1170042973 /nfs/dbraw/zinc/04/29/73/1170042973.db2.gz HTGOMNKCYJXMDW-UHFFFAOYSA-N -1 1 304.339 0.145 20 0 DCADMM Cc1cnn(CC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001605989550 1170042980 /nfs/dbraw/zinc/04/29/80/1170042980.db2.gz HTGOMNKCYJXMDW-UHFFFAOYSA-N -1 1 304.339 0.145 20 0 DCADMM CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001605995519 1170044408 /nfs/dbraw/zinc/04/44/08/1170044408.db2.gz ZFSNOMYCFZCWCB-LBPRGKRZSA-N -1 1 319.361 0.733 20 0 DCADMM CN(C)C(=O)[C@H]1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001605995519 1170044414 /nfs/dbraw/zinc/04/44/14/1170044414.db2.gz ZFSNOMYCFZCWCB-LBPRGKRZSA-N -1 1 319.361 0.733 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)OCC(F)(F)F)c1C ZINC001606021714 1170053437 /nfs/dbraw/zinc/05/34/37/1170053437.db2.gz ZIUCPGCFJZQKLP-UHFFFAOYSA-N -1 1 304.232 0.786 20 0 DCADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)OCC(F)(F)F)c1C ZINC001606021714 1170053441 /nfs/dbraw/zinc/05/34/41/1170053441.db2.gz ZIUCPGCFJZQKLP-UHFFFAOYSA-N -1 1 304.232 0.786 20 0 DCADMM CN(CC(=O)Nc1cccc(OCC(=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC001606085212 1170073083 /nfs/dbraw/zinc/07/30/83/1170073083.db2.gz NDQGVAIDZVXQHK-ZIAGYGMSSA-N -1 1 322.361 0.934 20 0 DCADMM Cc1nn(C)c(NC(=O)CCOCC2CC2)c1-c1nnn[n-]1 ZINC001606112350 1170080131 /nfs/dbraw/zinc/08/01/31/1170080131.db2.gz IQUIBOICTIHUNZ-UHFFFAOYSA-N -1 1 305.342 0.664 20 0 DCADMM Cc1nn(C)c(NC(=O)CCOCC2CC2)c1-c1nn[n-]n1 ZINC001606112350 1170080137 /nfs/dbraw/zinc/08/01/37/1170080137.db2.gz IQUIBOICTIHUNZ-UHFFFAOYSA-N -1 1 305.342 0.664 20 0 DCADMM Cc1nnc(CCNC(=O)c2cccc(-c3nnn[n-]3)n2)s1 ZINC001606118943 1170080343 /nfs/dbraw/zinc/08/03/43/1170080343.db2.gz UMEDYLCBLNMMEB-UHFFFAOYSA-N -1 1 316.350 0.394 20 0 DCADMM Cc1nnc(CCNC(=O)c2cccc(-c3nn[n-]n3)n2)s1 ZINC001606118943 1170080349 /nfs/dbraw/zinc/08/03/49/1170080349.db2.gz UMEDYLCBLNMMEB-UHFFFAOYSA-N -1 1 316.350 0.394 20 0 DCADMM Cc1nn(CCC[C@@H]2CCOC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114616 1170080538 /nfs/dbraw/zinc/08/05/38/1170080538.db2.gz YXFAWINSZRDRCB-LLVKDONJSA-N -1 1 304.354 0.857 20 0 DCADMM Cc1nnc(CC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)s1 ZINC001606118361 1170080828 /nfs/dbraw/zinc/08/08/28/1170080828.db2.gz KIXOZMPPHYEXTR-UHFFFAOYSA-N -1 1 305.327 0.239 20 0 DCADMM Cc1nsc(N2CCC(OCCO)CC2)c1-c1nn[n-]n1 ZINC001606144808 1170093723 /nfs/dbraw/zinc/09/37/23/1170093723.db2.gz MUSUSCDXHXFYEH-UHFFFAOYSA-N -1 1 310.383 0.609 20 0 DCADMM Cc1nsc(NC[C@@H](CO)[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001606156579 1170095216 /nfs/dbraw/zinc/09/52/16/1170095216.db2.gz HXTPFYBEPKJNFQ-IUCAKERBSA-N -1 1 310.383 0.689 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](CO)CCF)c1-c1nnn[n-]1 ZINC001606152119 1170096393 /nfs/dbraw/zinc/09/63/93/1170096393.db2.gz PELNOBDDHKKBBX-ZCFIWIBFSA-N -1 1 315.334 0.474 20 0 DCADMM CN(Cc1ccc(F)cc1)C(=O)CN1CC[C@@](O)(C(=O)[O-])C1 ZINC001606159639 1170096999 /nfs/dbraw/zinc/09/69/99/1170096999.db2.gz SIBBOIGUPNTQLU-HNNXBMFYSA-N -1 1 310.325 0.306 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(F)(F)C[C@@H]1CO ZINC001606166210 1170097533 /nfs/dbraw/zinc/09/75/33/1170097533.db2.gz PWSULLYCNGGUCK-SSDOTTSWSA-N -1 1 313.264 0.610 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(F)(F)C[C@@H]1CO ZINC001606166210 1170097539 /nfs/dbraw/zinc/09/75/39/1170097539.db2.gz PWSULLYCNGGUCK-SSDOTTSWSA-N -1 1 313.264 0.610 20 0 DCADMM Cc1onc(CC(=O)NCC2=CCCOC2)c1-c1nnn[n-]1 ZINC001606180281 1170104364 /nfs/dbraw/zinc/10/43/64/1170104364.db2.gz RFKKIIPXFXIJOV-UHFFFAOYSA-N -1 1 304.310 0.169 20 0 DCADMM Cc1onc(CC(=O)NCC2=CCCOC2)c1-c1nn[n-]n1 ZINC001606180281 1170104367 /nfs/dbraw/zinc/10/43/67/1170104367.db2.gz RFKKIIPXFXIJOV-UHFFFAOYSA-N -1 1 304.310 0.169 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)c1-c1nnn[n-]1 ZINC001606178201 1170104999 /nfs/dbraw/zinc/10/49/99/1170104999.db2.gz AXDWYHHGXVAMAQ-YIZRAAEISA-N -1 1 320.353 0.730 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC001606178201 1170105002 /nfs/dbraw/zinc/10/50/02/1170105002.db2.gz AXDWYHHGXVAMAQ-YIZRAAEISA-N -1 1 320.353 0.730 20 0 DCADMM Cc1onc(CC(=O)Nc2cnn(CCF)c2)c1-c1nnn[n-]1 ZINC001606180500 1170105972 /nfs/dbraw/zinc/10/59/72/1170105972.db2.gz JWXSJHGJXQJAJM-UHFFFAOYSA-N -1 1 320.288 0.510 20 0 DCADMM Cc1onc(CC(=O)Nc2cnn(CCF)c2)c1-c1nn[n-]n1 ZINC001606180500 1170105975 /nfs/dbraw/zinc/10/59/75/1170105975.db2.gz JWXSJHGJXQJAJM-UHFFFAOYSA-N -1 1 320.288 0.510 20 0 DCADMM Clc1cc(Cn2cc(-c3nn[n-]n3)nn2)cc2c1OCO2 ZINC001606189079 1170107089 /nfs/dbraw/zinc/10/70/89/1170107089.db2.gz RXNXVWITQDJHKY-UHFFFAOYSA-N -1 1 305.685 0.889 20 0 DCADMM Cn1c(=O)[nH]c(NCC2CCSCC2)c(-c2nn[n-]n2)c1=O ZINC001606206070 1170112858 /nfs/dbraw/zinc/11/28/58/1170112858.db2.gz PWIIGOUSZNXQKY-UHFFFAOYSA-N -1 1 323.382 0.221 20 0 DCADMM Cn1c2cc(CNc3nccnc3-c3nnn[n-]3)ccc2oc1=O ZINC001606208032 1170114662 /nfs/dbraw/zinc/11/46/62/1170114662.db2.gz PLPIBEPUNHJTSF-UHFFFAOYSA-N -1 1 324.304 0.714 20 0 DCADMM Cn1c2cc(CNc3nccnc3-c3nn[n-]n3)ccc2oc1=O ZINC001606208032 1170114665 /nfs/dbraw/zinc/11/46/65/1170114665.db2.gz PLPIBEPUNHJTSF-UHFFFAOYSA-N -1 1 324.304 0.714 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2COC(C)(C)C2)n1 ZINC001606223427 1170122009 /nfs/dbraw/zinc/12/20/09/1170122009.db2.gz QTPUQDGKJBRSAN-SSDOTTSWSA-N -1 1 306.330 0.289 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2COC(C)(C)C2)n1 ZINC001606223427 1170122010 /nfs/dbraw/zinc/12/20/10/1170122010.db2.gz QTPUQDGKJBRSAN-SSDOTTSWSA-N -1 1 306.330 0.289 20 0 DCADMM CN1CCN(C(=O)c2ccnn2C(F)F)C[C@@H](C(=O)[O-])C1 ZINC001606236087 1170130849 /nfs/dbraw/zinc/13/08/49/1170130849.db2.gz SONFIGXRLBWVMA-QMMMGPOBSA-N -1 1 302.281 0.367 20 0 DCADMM Cn1nc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1C(F)F ZINC001606267164 1170141921 /nfs/dbraw/zinc/14/19/21/1170141921.db2.gz YDIINYNQIJNAST-UHFFFAOYSA-N -1 1 309.240 0.513 20 0 DCADMM Cn1nncc1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001606286313 1170148929 /nfs/dbraw/zinc/14/89/29/1170148929.db2.gz MDGYOEXPMRSSAS-UHFFFAOYSA-N -1 1 302.273 0.064 20 0 DCADMM Cn1nncc1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001606286313 1170148935 /nfs/dbraw/zinc/14/89/35/1170148935.db2.gz MDGYOEXPMRSSAS-UHFFFAOYSA-N -1 1 302.273 0.064 20 0 DCADMM FC(F)CN1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001606296155 1170153118 /nfs/dbraw/zinc/15/31/18/1170153118.db2.gz BAPOQQMYGNLDEZ-UHFFFAOYSA-N -1 1 310.312 0.220 20 0 DCADMM FC(F)c1ccnc(CNc2ncncc2-c2nn[n-]n2)n1 ZINC001606299830 1170153831 /nfs/dbraw/zinc/15/38/31/1170153831.db2.gz HPCGNAWDXYSNHK-UHFFFAOYSA-N -1 1 305.252 0.996 20 0 DCADMM COC(=O)[C@@H](CCC(=O)[O-])N1CC[C@]2(C(=O)OC)CCC[C@H]12 ZINC001606330993 1170161191 /nfs/dbraw/zinc/16/11/91/1170161191.db2.gz DGTSGWZOVDFDJZ-JRPNMDOOSA-N -1 1 313.350 0.810 20 0 DCADMM NC(=O)NC[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001606422532 1170194201 /nfs/dbraw/zinc/19/42/01/1170194201.db2.gz MSGSJTJNXOIIRS-SECBINFHSA-N -1 1 302.342 0.146 20 0 DCADMM NC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001606422532 1170194207 /nfs/dbraw/zinc/19/42/07/1170194207.db2.gz MSGSJTJNXOIIRS-SECBINFHSA-N -1 1 302.342 0.146 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCCCCC(=O)C1 ZINC001606444944 1170204202 /nfs/dbraw/zinc/20/42/02/1170204202.db2.gz IIDKDCDVMPVZOW-MRVPVSSYSA-N -1 1 303.326 0.825 20 0 DCADMM COC(=O)c1cc(CN2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)[nH]c1C ZINC001606542319 1170232555 /nfs/dbraw/zinc/23/25/55/1170232555.db2.gz WMIUTTWJUYGRBG-VXGBXAGGSA-N -1 1 324.333 0.415 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccnn1C1CC1 ZINC001606596187 1170239765 /nfs/dbraw/zinc/23/97/65/1170239765.db2.gz AZXMPXGEMZYPMY-UHFFFAOYSA-N -1 1 310.321 0.974 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccnn1C1CC1 ZINC001606596187 1170239769 /nfs/dbraw/zinc/23/97/69/1170239769.db2.gz AZXMPXGEMZYPMY-UHFFFAOYSA-N -1 1 310.321 0.974 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CCCC[C@H]1O ZINC001606596672 1170240349 /nfs/dbraw/zinc/24/03/49/1170240349.db2.gz SSUDCYVXVFBYHT-CMPLNLGQSA-N -1 1 302.338 0.224 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCCC[C@H]1O ZINC001606596672 1170240352 /nfs/dbraw/zinc/24/03/52/1170240352.db2.gz SSUDCYVXVFBYHT-CMPLNLGQSA-N -1 1 302.338 0.224 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CCC[C@@H]1CCO ZINC001606595551 1170241004 /nfs/dbraw/zinc/24/10/04/1170241004.db2.gz ZCJRADRXYVWEPX-NEPJUHHUSA-N -1 1 316.365 0.472 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCC[C@@H]1CCO ZINC001606595551 1170241007 /nfs/dbraw/zinc/24/10/07/1170241007.db2.gz ZCJRADRXYVWEPX-NEPJUHHUSA-N -1 1 316.365 0.472 20 0 DCADMM O=C(Cc1cncc(O)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606610459 1170242069 /nfs/dbraw/zinc/24/20/69/1170242069.db2.gz SNXXXPSEXOCZFN-UHFFFAOYSA-N -1 1 312.289 0.854 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1CCC2(CC2)CC1 ZINC001606620278 1170245464 /nfs/dbraw/zinc/24/54/64/1170245464.db2.gz GLMLHWKLEXGWEU-UHFFFAOYSA-N -1 1 316.369 0.545 20 0 DCADMM O=C(NC1(CCO)CC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606640294 1170250782 /nfs/dbraw/zinc/25/07/82/1170250782.db2.gz ALAMXFHETSDTPJ-UHFFFAOYSA-N -1 1 309.276 0.790 20 0 DCADMM O=C(NC1(CCO)CC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606640294 1170250786 /nfs/dbraw/zinc/25/07/86/1170250786.db2.gz ALAMXFHETSDTPJ-UHFFFAOYSA-N -1 1 309.276 0.790 20 0 DCADMM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ccsc1-c1nnn[n-]1 ZINC001606646709 1170251556 /nfs/dbraw/zinc/25/15/56/1170251556.db2.gz BAYNEQYHWCVLQA-RKDXNWHRSA-N -1 1 305.363 0.962 20 0 DCADMM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ccsc1-c1nn[n-]n1 ZINC001606646709 1170251561 /nfs/dbraw/zinc/25/15/61/1170251561.db2.gz BAYNEQYHWCVLQA-RKDXNWHRSA-N -1 1 305.363 0.962 20 0 DCADMM O=C(N[C@@H]1CCn2ccnc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606686164 1170262120 /nfs/dbraw/zinc/26/21/20/1170262120.db2.gz CJMYTCHJRXJFAG-SNVBAGLBSA-N -1 1 310.321 0.203 20 0 DCADMM O=C(N[C@@H]1CCn2ccnc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606686164 1170262127 /nfs/dbraw/zinc/26/21/27/1170262127.db2.gz CJMYTCHJRXJFAG-SNVBAGLBSA-N -1 1 310.321 0.203 20 0 DCADMM O=C(N[C@H]1COC[C@@H]1C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606688550 1170263409 /nfs/dbraw/zinc/26/34/09/1170263409.db2.gz IZLJTHAONXOPRH-SKDRFNHKSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(N[C@H]1COC[C@@H]1C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606688550 1170263412 /nfs/dbraw/zinc/26/34/12/1170263412.db2.gz IZLJTHAONXOPRH-SKDRFNHKSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(-c2nnn[n-]2)n1 ZINC001606696430 1170264981 /nfs/dbraw/zinc/26/49/81/1170264981.db2.gz OPSFKCLGVONFIC-ZIAGYGMSSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(-c2nn[n-]n2)n1 ZINC001606696430 1170264985 /nfs/dbraw/zinc/26/49/85/1170264985.db2.gz OPSFKCLGVONFIC-ZIAGYGMSSA-N -1 1 322.328 0.650 20 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1170778444 /nfs/dbraw/zinc/77/84/44/1170778444.db2.gz BQYUAKFCJMCQFK-LLVKDONJSA-N -1 1 311.407 0.995 20 0 DCADMM CC(=O)N(C)CC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001609062143 1170796472 /nfs/dbraw/zinc/79/64/72/1170796472.db2.gz QJFNLJQGEVWODC-UHFFFAOYSA-N -1 1 324.291 0.239 20 0 DCADMM CC(=O)N(C)CC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001609062143 1170796473 /nfs/dbraw/zinc/79/64/73/1170796473.db2.gz QJFNLJQGEVWODC-UHFFFAOYSA-N -1 1 324.291 0.239 20 0 DCADMM C[C@@H](C(=O)Nn1cnc2ccccc21)n1cnc(-c2nn[n-]n2)n1 ZINC001609072015 1170798392 /nfs/dbraw/zinc/79/83/92/1170798392.db2.gz YYYNRGGPJUVMIN-QMMMGPOBSA-N -1 1 324.308 0.139 20 0 DCADMM CC(C)[C@]1(C)C[C@@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001609089836 1170807278 /nfs/dbraw/zinc/80/72/78/1170807278.db2.gz GTWPYZZBCQKAHC-RTHLEPHNSA-N -1 1 319.369 0.111 20 0 DCADMM CC1(C)CCC[C@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609145305 1170824603 /nfs/dbraw/zinc/82/46/03/1170824603.db2.gz JULJBCMCYHLUIX-VIFPVBQESA-N -1 1 304.358 0.401 20 0 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DLMMLHXMRXBSQL-UHFFFAOYSA-N -1 1 308.367 0.641 20 0 DCADMM CS(=O)(=O)C1(CNc2cccnc2-c2nn[n-]n2)CCC1 ZINC001609365581 1170950145 /nfs/dbraw/zinc/95/01/45/1170950145.db2.gz DLMMLHXMRXBSQL-UHFFFAOYSA-N -1 1 308.367 0.641 20 0 DCADMM CS(=O)(=O)C[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001609366606 1170950739 /nfs/dbraw/zinc/95/07/39/1170950739.db2.gz FCLDLENAFOGAGB-SECBINFHSA-N -1 1 308.367 0.133 20 0 DCADMM CS(=O)(=O)C[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001609366606 1170950745 /nfs/dbraw/zinc/95/07/45/1170950745.db2.gz FCLDLENAFOGAGB-SECBINFHSA-N -1 1 308.367 0.133 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CCC[C@@H](C2)C3O)n1 ZINC001609391338 1170961708 /nfs/dbraw/zinc/96/17/08/1170961708.db2.gz FDUMYSUMNFFRNX-DHHPTOIESA-N -1 1 301.354 0.562 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CCC[C@@H](C2)C3O)n1 ZINC001609391338 1170961715 /nfs/dbraw/zinc/96/17/15/1170961715.db2.gz FDUMYSUMNFFRNX-DHHPTOIESA-N -1 1 301.354 0.562 20 0 DCADMM Cc1ccc(N2CC[C@@H](C(=O)N(C)C)C2)nc1-c1nnn[n-]1 ZINC001609425040 1170974262 /nfs/dbraw/zinc/97/42/62/1170974262.db2.gz VVOUCHSJHISXNN-SNVBAGLBSA-N -1 1 301.354 0.485 20 0 DCADMM Cc1ccc(N2CC[C@@H](C(=O)N(C)C)C2)nc1-c1nn[n-]n1 ZINC001609425040 1170974265 /nfs/dbraw/zinc/97/42/65/1170974265.db2.gz VVOUCHSJHISXNN-SNVBAGLBSA-N -1 1 301.354 0.485 20 0 DCADMM Cc1ccn(CC(=O)N2CCCC[C@@H]2C)c(=O)c1-c1nn[n-]n1 ZINC001609437603 1170976288 /nfs/dbraw/zinc/97/62/88/1170976288.db2.gz NYXPQJMLZGRKOZ-NSHDSACASA-N -1 1 316.365 0.738 20 0 DCADMM Cc1cnccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609441384 1170979311 /nfs/dbraw/zinc/97/93/11/1170979311.db2.gz DDTCRHGYOXKYTE-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnn(CCF)c2)c1-c1nn[n-]n1 ZINC001609444698 1170979381 /nfs/dbraw/zinc/97/93/81/1170979381.db2.gz ONRMCGKTVNEFNM-UHFFFAOYSA-N -1 1 305.277 0.317 20 0 DCADMM Cc1ncsc1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609457604 1170984976 /nfs/dbraw/zinc/98/49/76/1170984976.db2.gz HDFBTSLHHWRXOK-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1ncsc1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609457604 1170984982 /nfs/dbraw/zinc/98/49/82/1170984982.db2.gz HDFBTSLHHWRXOK-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1nnc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)n1C ZINC001609461076 1170985559 /nfs/dbraw/zinc/98/55/59/1170985559.db2.gz NHYJZHSDWFAYLU-UHFFFAOYSA-N -1 1 305.733 0.964 20 0 DCADMM Cc1nnc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)n1C ZINC001609461076 1170985565 /nfs/dbraw/zinc/98/55/65/1170985565.db2.gz NHYJZHSDWFAYLU-UHFFFAOYSA-N -1 1 305.733 0.964 20 0 DCADMM Cc1nc2n(n1)CCN(c1nc(Cl)c(-c3nnn[n-]3)s1)C2 ZINC001609455232 1170985876 /nfs/dbraw/zinc/98/58/76/1170985876.db2.gz FGTDVTNZMOOEFP-UHFFFAOYSA-N -1 1 323.773 0.897 20 0 DCADMM Cc1nc2n(n1)CCN(c1nc(Cl)c(-c3nn[n-]n3)s1)C2 ZINC001609455232 1170985879 /nfs/dbraw/zinc/98/58/79/1170985879.db2.gz FGTDVTNZMOOEFP-UHFFFAOYSA-N -1 1 323.773 0.897 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](CCO)C2CC2)c1-c1nnn[n-]1 ZINC001609465529 1170986650 /nfs/dbraw/zinc/98/66/50/1170986650.db2.gz NGKXVBZLGZJOER-MRVPVSSYSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](CCO)C2CC2)c1-c1nn[n-]n1 ZINC001609465529 1170986654 /nfs/dbraw/zinc/98/66/54/1170986654.db2.gz NGKXVBZLGZJOER-MRVPVSSYSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1oc(NC(=O)CN2CCOCC2)c(-c2nn[n-]n2)c1C ZINC001609469608 1170989377 /nfs/dbraw/zinc/98/93/77/1170989377.db2.gz CWGHHKBQKRPVDB-UHFFFAOYSA-N -1 1 306.326 0.347 20 0 DCADMM Cn1c(Cn2ccn3ncc(-c4nn[n-]n4)c23)nnc1C1CCC1 ZINC001609476592 1170992061 /nfs/dbraw/zinc/99/20/61/1170992061.db2.gz MGEREVOGCYNIQQ-UHFFFAOYSA-N -1 1 324.352 0.760 20 0 DCADMM FC(F)n1ccnc1Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001609486672 1170995920 /nfs/dbraw/zinc/99/59/20/1170995920.db2.gz USWNLZDMWHYMRF-UHFFFAOYSA-N -1 1 305.252 0.956 20 0 DCADMM NC(=O)C1CCC(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609501989 1170998717 /nfs/dbraw/zinc/99/87/17/1170998717.db2.gz CRKYECVVFNPPDE-UHFFFAOYSA-N -1 1 315.337 0.036 20 0 DCADMM NC(=O)C1CCC(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609501989 1170998723 /nfs/dbraw/zinc/99/87/23/1170998723.db2.gz CRKYECVVFNPPDE-UHFFFAOYSA-N -1 1 315.337 0.036 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001609502663 1171002894 /nfs/dbraw/zinc/00/28/94/1171002894.db2.gz TVMCDECWBKECNQ-SECBINFHSA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001609502663 1171002903 /nfs/dbraw/zinc/00/29/03/1171002903.db2.gz TVMCDECWBKECNQ-SECBINFHSA-N -1 1 302.342 0.139 20 0 DCADMM O=C(CNc1ccnc(-c2nnn[n-]2)c1)NCc1ccccc1 ZINC001609528900 1171010192 /nfs/dbraw/zinc/01/01/92/1171010192.db2.gz ZGUVXCISAQFGFG-UHFFFAOYSA-N -1 1 309.333 0.412 20 0 DCADMM O=C(CNc1ccnc(-c2nn[n-]n2)c1)NCc1ccccc1 ZINC001609528900 1171010196 /nfs/dbraw/zinc/01/01/96/1171010196.db2.gz ZGUVXCISAQFGFG-UHFFFAOYSA-N -1 1 309.333 0.412 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCCCCC1 ZINC001609537481 1171012736 /nfs/dbraw/zinc/01/27/36/1171012736.db2.gz UXZWQLMYFLRTFS-UHFFFAOYSA-N -1 1 304.358 0.641 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCC1CCCCC1 ZINC001609537980 1171012791 /nfs/dbraw/zinc/01/27/91/1171012791.db2.gz HPYOKHRCPJBVDI-UHFFFAOYSA-N -1 1 304.358 0.545 20 0 DCADMM O=C(NC[C@H](O)C1CCCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609544587 1171016811 /nfs/dbraw/zinc/01/68/11/1171016811.db2.gz MXCZKOGYGOAWBJ-ZDUSSCGKSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NC[C@H](O)C1CCCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609544587 1171016817 /nfs/dbraw/zinc/01/68/17/1171016817.db2.gz MXCZKOGYGOAWBJ-ZDUSSCGKSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NC[C@H]1CCC[C@@H](O)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001609545518 1171018087 /nfs/dbraw/zinc/01/80/87/1171018087.db2.gz FITDJJIJTBLYQG-VHSXEESVSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@H]1CCC[C@@H](O)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001609545518 1171018093 /nfs/dbraw/zinc/01/80/93/1171018093.db2.gz FITDJJIJTBLYQG-VHSXEESVSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccnnc1 ZINC001609552685 1171019237 /nfs/dbraw/zinc/01/92/37/1171019237.db2.gz MERDWTQZAIYXHN-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccnnc1 ZINC001609552685 1171019242 /nfs/dbraw/zinc/01/92/42/1171019242.db2.gz MERDWTQZAIYXHN-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@H](O)CC1 ZINC001609567085 1171022604 /nfs/dbraw/zinc/02/26/04/1171022604.db2.gz QVWFQCOYBBXNBQ-VIFPVBQESA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@H](O)CC1 ZINC001609567085 1171022609 /nfs/dbraw/zinc/02/26/09/1171022609.db2.gz QVWFQCOYBBXNBQ-VIFPVBQESA-N -1 1 303.326 0.640 20 0 DCADMM O=C(OCCOC[C@H]1CCCO1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609574506 1171025301 /nfs/dbraw/zinc/02/53/01/1171025301.db2.gz AEXHXJILJFGPDA-LLVKDONJSA-N -1 1 319.321 0.614 20 0 DCADMM O=C(OCCOC[C@H]1CCCO1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609574506 1171025305 /nfs/dbraw/zinc/02/53/05/1171025305.db2.gz AEXHXJILJFGPDA-LLVKDONJSA-N -1 1 319.321 0.614 20 0 DCADMM O=C(Nc1nnc2n1CCCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001609571091 1171025716 /nfs/dbraw/zinc/02/57/16/1171025716.db2.gz NPNATKRTTRRTOI-UHFFFAOYSA-N -1 1 311.309 0.442 20 0 DCADMM O=C(Nc1nnc2n1CCCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001609571091 1171025722 /nfs/dbraw/zinc/02/57/22/1171025722.db2.gz NPNATKRTTRRTOI-UHFFFAOYSA-N -1 1 311.309 0.442 20 0 DCADMM O=C1CCCCCN1CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001609587797 1171031584 /nfs/dbraw/zinc/03/15/84/1171031584.db2.gz HMYBWELGXHOHBR-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C1CCCCCN1CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001609587797 1171031591 /nfs/dbraw/zinc/03/15/91/1171031591.db2.gz HMYBWELGXHOHBR-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC2(COC(=O)N2)CC1 ZINC001609589626 1171032364 /nfs/dbraw/zinc/03/23/64/1171032364.db2.gz GBMIDFVXCGGVOZ-UHFFFAOYSA-N -1 1 318.293 0.174 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC2(COC(=O)N2)CC1 ZINC001609589626 1171032371 /nfs/dbraw/zinc/03/23/71/1171032371.db2.gz GBMIDFVXCGGVOZ-UHFFFAOYSA-N -1 1 318.293 0.174 20 0 DCADMM O[C@@H]1C[C@H](c2ccccc2)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609607561 1171042794 /nfs/dbraw/zinc/04/27/94/1171042794.db2.gz GYBFGYQPNRPSIH-DGCLKSJQSA-N -1 1 309.333 0.969 20 0 DCADMM O[C@@H]1C[C@H](c2ccccc2)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609607561 1171042800 /nfs/dbraw/zinc/04/28/00/1171042800.db2.gz GYBFGYQPNRPSIH-DGCLKSJQSA-N -1 1 309.333 0.969 20 0 DCADMM OC[C@H](CNc1ccc(-c2nnn[n-]2)nn1)CC1CCOCC1 ZINC001609608815 1171045638 /nfs/dbraw/zinc/04/56/38/1171045638.db2.gz WZHAMDUHPJWFEI-NSHDSACASA-N -1 1 319.369 0.494 20 0 DCADMM OC[C@H](CNc1ccc(-c2nn[n-]n2)nn1)CC1CCOCC1 ZINC001609608815 1171045647 /nfs/dbraw/zinc/04/56/47/1171045647.db2.gz WZHAMDUHPJWFEI-NSHDSACASA-N -1 1 319.369 0.494 20 0 DCADMM c1nc(-c2nnn[n-]2)cnc1NCCCOC[C@H]1CCOC1 ZINC001609620964 1171050939 /nfs/dbraw/zinc/05/09/39/1171050939.db2.gz KXKTWQLHQZXQNF-SNVBAGLBSA-N -1 1 305.342 0.512 20 0 DCADMM c1nc(-c2nn[n-]n2)cnc1NCCCOC[C@H]1CCOC1 ZINC001609620964 1171050946 /nfs/dbraw/zinc/05/09/46/1171050946.db2.gz KXKTWQLHQZXQNF-SNVBAGLBSA-N -1 1 305.342 0.512 20 0 DCADMM C[C@H](C(=O)N1CCc2ccccc21)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609633573 1171056063 /nfs/dbraw/zinc/05/60/63/1171056063.db2.gz HONXWWSWNYGMJL-MRVWCRGKSA-N -1 1 318.373 0.732 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Cn1cc(C2CC2)nn1 ZINC001609866840 1171107737 /nfs/dbraw/zinc/10/77/37/1171107737.db2.gz FXOCDZWYFLDZBG-NSHDSACASA-N -1 1 321.381 0.163 20 0 DCADMM CC[C@@H](C)NC(=O)CN1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001609908639 1171120162 /nfs/dbraw/zinc/12/01/62/1171120162.db2.gz VJPPTLXVEZXWSZ-SNVBAGLBSA-N -1 1 309.370 0.528 20 0 DCADMM CCc1nc(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)n[nH]1 ZINC001610071990 1171149387 /nfs/dbraw/zinc/14/93/87/1171149387.db2.gz VVPDCMRLSSTJNK-VIFPVBQESA-N -1 1 305.342 0.494 20 0 DCADMM CN(CCN1CCC[C@@H]1C(=O)NCC(=O)[O-])c1ccccc1 ZINC001610116890 1171161642 /nfs/dbraw/zinc/16/16/42/1171161642.db2.gz YOCYYDBNBKXDFI-CQSZACIVSA-N -1 1 305.378 0.788 20 0 DCADMM CN1C[C@@H](CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)OC1=O ZINC001610133139 1171168379 /nfs/dbraw/zinc/16/83/79/1171168379.db2.gz HNLAPURBDZAYON-ZJUUUORDSA-N -1 1 309.326 0.064 20 0 DCADMM CN1C[C@H]2CCN(S(=O)(=O)c3csc(C(=O)[O-])c3)[C@H]2C1 ZINC001610133152 1171168630 /nfs/dbraw/zinc/16/86/30/1171168630.db2.gz IDWPVFNRWIDCHB-SCZZXKLOSA-N -1 1 316.404 0.771 20 0 DCADMM CN(CCCC(=O)[O-])C(=O)c1cccc(N2CCN(C)CC2)n1 ZINC001610137542 1171172191 /nfs/dbraw/zinc/17/21/91/1171172191.db2.gz PTXDSWSFFLDNDL-UHFFFAOYSA-N -1 1 320.393 0.770 20 0 DCADMM COC(=O)C[C@@H]1CCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001610180852 1171189357 /nfs/dbraw/zinc/18/93/57/1171189357.db2.gz NSGYSLFXYZJCDN-LBPRGKRZSA-N -1 1 312.366 0.337 20 0 DCADMM COC(=O)c1cc(C)nc(N2CCN(CCC(=O)[O-])C[C@@H]2C)n1 ZINC001610196017 1171195713 /nfs/dbraw/zinc/19/57/13/1171195713.db2.gz BCPBEUOOKQLCNV-NSHDSACASA-N -1 1 322.365 0.557 20 0 DCADMM COc1cc(C(=O)[O-])cc(NC(=O)C[C@H]2COCCN2)c1OC ZINC001610283890 1171215590 /nfs/dbraw/zinc/21/55/90/1171215590.db2.gz TYUKJPAWRKILGT-JTQLQIEISA-N -1 1 324.333 0.719 20 0 DCADMM Cc1c(CN[C@H](CF)C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC001610415792 1171232811 /nfs/dbraw/zinc/23/28/11/1171232811.db2.gz VOAQZINIAWVZQS-CYBMUJFWSA-N -1 1 307.325 0.997 20 0 DCADMM Cc1ccc2nc(NC(=O)Cn3cc(C(=O)[O-])nn3)[nH]c2c1 ZINC001610515540 1171245546 /nfs/dbraw/zinc/24/55/46/1171245546.db2.gz WWDRKZCKHVYSNA-UHFFFAOYSA-N -1 1 300.278 0.800 20 0 DCADMM O=C([O-])[C@H](NC(=O)CCc1nc[nH]n1)c1ccc2c(c1)CCO2 ZINC001610660200 1171284307 /nfs/dbraw/zinc/28/43/07/1171284307.db2.gz BYUNZRFLYZSDHV-CQSZACIVSA-N -1 1 316.317 0.614 20 0 DCADMM O=C(CN1CCSC[C@H](C(=O)[O-])C1)NC[C@H]1CCCO1 ZINC001610663581 1171285823 /nfs/dbraw/zinc/28/58/23/1171285823.db2.gz BGVXBHPMQKPPLI-GHMZBOCLSA-N -1 1 302.396 0.031 20 0 DCADMM O=C([O-])[C@H]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC001610805225 1171330477 /nfs/dbraw/zinc/33/04/77/1171330477.db2.gz KVSQJKRLEYRKSB-MGPQQGTHSA-N -1 1 312.410 0.840 20 0 DCADMM O=C([O-])[C@H]1[C@@H]2C[N@@H+]([C@@H]3CC(=O)N(c4cccc(O)c4)C3=O)C[C@@H]21 ZINC001610803687 1171331597 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CSc1nc(CNC(=O)[C@H](C)N2C(=O)CCC2=O)cc(=O)[n-]1 ZINC001631271461 1171590739 /nfs/dbraw/zinc/59/07/39/1171590739.db2.gz FCMRYDMESSPYSA-ZETCQYMHSA-N -1 1 324.362 0.058 20 0 DCADMM CCc1c[nH]c(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])n1 ZINC001631404376 1171593109 /nfs/dbraw/zinc/59/31/09/1171593109.db2.gz IMWHHEJQECBZIL-UHFFFAOYSA-N -1 1 324.362 0.506 20 0 DCADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCO[C@]2(CCOC2)C1 ZINC001633507930 1171645545 /nfs/dbraw/zinc/64/55/45/1171645545.db2.gz SMCVWJUKCHWDDH-CQSZACIVSA-N -1 1 320.374 0.650 20 0 DCADMM Cc1cccc(C(=O)C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC001633895532 1171655394 /nfs/dbraw/zinc/65/53/94/1171655394.db2.gz IHBKEAFOYHQUKM-UHFFFAOYSA-N -1 1 315.333 0.201 20 0 DCADMM CC(=Cc1ccccn1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895781 1171655577 /nfs/dbraw/zinc/65/55/77/1171655577.db2.gz QNHJKTZVXLOHLI-ZHACJKMWSA-N -1 1 314.349 0.508 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC[S@@](=O)C1 ZINC001634099123 1171660016 /nfs/dbraw/zinc/66/00/16/1171660016.db2.gz 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952458522 /nfs/dbraw/zinc/45/85/22/952458522.db2.gz NOLROVDRZRGJJW-CYBMUJFWSA-N -1 1 307.285 0.846 20 0 DCADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@]1(F)CCOC1 ZINC001411801008 952459334 /nfs/dbraw/zinc/45/93/34/952459334.db2.gz NOLROVDRZRGJJW-ZDUSSCGKSA-N -1 1 307.285 0.846 20 0 DCADMM O=C(Cc1ccccc1S(=O)(=O)C(F)F)Nc1nnn[n-]1 ZINC001411819550 952465776 /nfs/dbraw/zinc/46/57/76/952465776.db2.gz AHYQGGYMBLSYMK-UHFFFAOYSA-N -1 1 317.277 0.377 20 0 DCADMM O=C(Cc1ccccc1S(=O)(=O)C(F)F)Nc1nn[n-]n1 ZINC001411819550 952465779 /nfs/dbraw/zinc/46/57/79/952465779.db2.gz AHYQGGYMBLSYMK-UHFFFAOYSA-N -1 1 317.277 0.377 20 0 DCADMM O=C(c1cccc2[nH]c(=O)oc21)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001335408947 952532725 /nfs/dbraw/zinc/53/27/25/952532725.db2.gz DVSBTSXNFRULEZ-SECBINFHSA-N -1 1 316.277 0.260 20 0 DCADMM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC001411939571 952553207 /nfs/dbraw/zinc/55/32/07/952553207.db2.gz VIVRHZRSEYQOMZ-VIFPVBQESA-N -1 1 302.327 0.295 20 0 DCADMM CCc1nn(C)c(CC)c1CNC(=O)CCCc1nn[n-]n1 ZINC001411943139 952557660 /nfs/dbraw/zinc/55/76/60/952557660.db2.gz VGXUNGOPQTZNFM-UHFFFAOYSA-N -1 1 305.386 0.697 20 0 DCADMM C[C@@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)[C@H](C(N)=O)C1 ZINC001412042084 952615014 /nfs/dbraw/zinc/61/50/14/952615014.db2.gz DTUFWYFUOAUTKH-KCJUWKMLSA-N -1 1 304.350 0.786 20 0 DCADMM CCO[C@H](C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1)[C@@H]1CCOC1 ZINC001412162846 952671616 /nfs/dbraw/zinc/67/16/16/952671616.db2.gz SPUYYLXTCCPJTD-KOLCDFICSA-N -1 1 321.337 0.106 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(S(N)(=O)=O)cc(C)c1C ZINC001412190683 952683635 /nfs/dbraw/zinc/68/36/35/952683635.db2.gz ZVGRWYTWQGMNOQ-UHFFFAOYSA-N -1 1 324.362 0.940 20 0 DCADMM C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cccc(Cc2nn[nH]n2)c1 ZINC001412210013 952695715 /nfs/dbraw/zinc/69/57/15/952695715.db2.gz OJHKQWREDJFAIM-WFASDCNBSA-N -1 1 316.365 0.184 20 0 DCADMM CC(C)(C)[C@H](NC(=O)[C@@H]1CCCc2n[nH]nc21)c1nc(=O)o[n-]1 ZINC001412264690 952725458 /nfs/dbraw/zinc/72/54/58/952725458.db2.gz AQTRSNUEMHXGHT-GMSGAONNSA-N -1 1 320.353 0.805 20 0 DCADMM CSc1nc(CNC(=O)CS(=O)(=O)C(C)C)cc(=O)[n-]1 ZINC001412287987 952733020 /nfs/dbraw/zinc/73/30/20/952733020.db2.gz RRTQRNOHZGPPBL-UHFFFAOYSA-N -1 1 319.408 0.344 20 0 DCADMM CSCC[C@H](NC(=O)C1=NC(=O)C(C)S1)c1nn[n-]n1 ZINC001412369999 952767530 /nfs/dbraw/zinc/76/75/30/952767530.db2.gz QLTZDQAQMICKJL-LURJTMIESA-N -1 1 314.396 0.894 20 0 DCADMM COC(=O)COCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001412410750 952784679 /nfs/dbraw/zinc/78/46/79/952784679.db2.gz LHNMMJQOGHPJFF-UHFFFAOYSA-N -1 1 305.290 0.706 20 0 DCADMM CC(=O)c1cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cs1 ZINC001412430599 952795822 /nfs/dbraw/zinc/79/58/22/952795822.db2.gz JPJOVOHOXQUADC-SECBINFHSA-N -1 1 307.335 0.678 20 0 DCADMM COc1cccc(O)c1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001412496897 952846735 /nfs/dbraw/zinc/84/67/35/952846735.db2.gz YTWZVWYQSOZGAS-UHFFFAOYSA-N -1 1 303.322 0.934 20 0 DCADMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc2c(cc1O)OCO2 ZINC001412529200 952869914 /nfs/dbraw/zinc/86/99/14/952869914.db2.gz MQMKNVBZDFENGT-UHFFFAOYSA-N -1 1 319.321 0.932 20 0 DCADMM Nc1nc(C2CC2)ncc1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001412543645 952884089 /nfs/dbraw/zinc/88/40/89/952884089.db2.gz PZHQJEWUYMPQOB-UHFFFAOYSA-N -1 1 300.326 0.259 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)c1cnc2n1CCCCC2 ZINC001412546804 952886804 /nfs/dbraw/zinc/88/68/04/952886804.db2.gz WDRYSUWKTWENBU-UHFFFAOYSA-N -1 1 301.354 0.932 20 0 DCADMM CC/C=C(\C)C(=O)N[C@@H](CO)CNC(=O)c1ncccc1[O-] ZINC001337625950 952889433 /nfs/dbraw/zinc/88/94/33/952889433.db2.gz KIVUSAUKWUIXEE-IGLBNKAOSA-N -1 1 307.350 0.350 20 0 DCADMM CCCn1cc(NC(=O)CNC(=O)c2ncccc2[O-])cn1 ZINC001412590766 952923645 /nfs/dbraw/zinc/92/36/45/952923645.db2.gz HBUIEYQRFVRYRH-UHFFFAOYSA-N -1 1 303.322 0.762 20 0 DCADMM COC[C@@H](NC(=O)[C@H](C)OCc1ccc(F)cc1)c1nn[n-]n1 ZINC001412603067 952929832 /nfs/dbraw/zinc/92/98/32/952929832.db2.gz GYQJWSHWYIKOOH-JOYOIKCWSA-N -1 1 323.328 0.748 20 0 DCADMM CN(CCOCc1ccccc1)c1nnc(-c2nnn[n-]2)n1C ZINC001337933979 952936032 /nfs/dbraw/zinc/93/60/32/952936032.db2.gz WZASTNYLMJBHLI-UHFFFAOYSA-N -1 1 314.353 0.648 20 0 DCADMM CN(CCOCc1ccccc1)c1nnc(-c2nn[n-]n2)n1C ZINC001337933979 952936036 /nfs/dbraw/zinc/93/60/36/952936036.db2.gz WZASTNYLMJBHLI-UHFFFAOYSA-N -1 1 314.353 0.648 20 0 DCADMM COCCn1cc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)cn1 ZINC001412619566 952944534 /nfs/dbraw/zinc/94/45/34/952944534.db2.gz ZIXAOOLOIWFODA-NSHDSACASA-N -1 1 319.369 0.138 20 0 DCADMM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CCCc2nn[n-]n2)C1 ZINC001412647810 952965471 /nfs/dbraw/zinc/96/54/71/952965471.db2.gz UAKIONWSFNQFJJ-SNVBAGLBSA-N -1 1 324.385 0.648 20 0 DCADMM COc1nccc(C(=O)NC(C)(C)c2ncc(OC)c(=O)[n-]2)n1 ZINC001412659660 952972102 /nfs/dbraw/zinc/97/21/02/952972102.db2.gz VMISYWYXKPBORM-UHFFFAOYSA-N -1 1 319.321 0.655 20 0 DCADMM CC[C@H](NC(=O)CCc1nn[n-]n1)[C@H](O)c1ccccc1F ZINC001412674899 952984647 /nfs/dbraw/zinc/98/46/47/952984647.db2.gz DDKANJRKMLJZDB-SMDDNHRTSA-N -1 1 307.329 0.900 20 0 DCADMM COc1coc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1=O ZINC001412731319 953029063 /nfs/dbraw/zinc/02/90/63/953029063.db2.gz PKBCMMROARAWCM-MRVPVSSYSA-N -1 1 305.294 0.181 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1nccs1 ZINC001604793190 1169685647 /nfs/dbraw/zinc/68/56/47/1169685647.db2.gz SYUCKYYBQWJEEP-JTQLQIEISA-N -1 1 312.395 0.834 20 0 DCADMM O=S(=O)(CCCOCc1nn[n-]n1)c1ccc(F)cc1 ZINC001339183136 953078933 /nfs/dbraw/zinc/07/89/33/953078933.db2.gz NORAJSGJDFZTMQ-UHFFFAOYSA-N -1 1 300.315 0.719 20 0 DCADMM CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)c2ccc([O-])cn2)[nH]1 ZINC001412803294 953102051 /nfs/dbraw/zinc/10/20/51/953102051.db2.gz DSGYFVCGIXSOBH-KOLCDFICSA-N -1 1 303.322 0.416 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@@]1(C(=O)[O-])CNCCO1)c1ccccc1 ZINC001340033205 953140053 /nfs/dbraw/zinc/14/00/53/953140053.db2.gz IUNPTRFZIVVATF-BLLLJJGKSA-N -1 1 306.362 0.692 20 0 DCADMM C[C@H](NC(=O)[C@]1(C(=O)[O-])CNCCO1)c1cccc(F)c1F ZINC001340302612 953160542 /nfs/dbraw/zinc/16/05/42/953160542.db2.gz GBLVRHOMWNNOAW-RTHLEPHNSA-N -1 1 314.288 0.585 20 0 DCADMM CN(CCc1ccccc1F)C(=O)[C@@]1(C(=O)[O-])CNCCO1 ZINC001341377241 953226783 /nfs/dbraw/zinc/22/67/83/953226783.db2.gz OKGLTEXJNYKWIR-OAHLLOKOSA-N -1 1 310.325 0.270 20 0 DCADMM Cc1cccc(C)c1CN(C)C(=O)[C@@]1(C(=O)[O-])CNCCO1 ZINC001341472803 953232539 /nfs/dbraw/zinc/23/25/39/953232539.db2.gz RWIPOBZZOGMNAF-MRXNPFEDSA-N -1 1 306.362 0.705 20 0 DCADMM C[C@H](COc1ccccc1)NC(=O)[C@@]1(C(=O)[O-])CNCCO1 ZINC001341477610 953233497 /nfs/dbraw/zinc/23/34/97/953233497.db2.gz DXOKKINWKWBLRW-IAQYHMDHSA-N -1 1 308.334 0.013 20 0 DCADMM Cc1ccccc1C1(CNC(=O)[C@@]2(C(=O)[O-])CNCCO2)CC1 ZINC001341523978 953235491 /nfs/dbraw/zinc/23/54/91/953235491.db2.gz GUFMFABKTXAUIM-QGZVFWFLSA-N -1 1 318.373 0.586 20 0 DCADMM CCc1cnc(CN(C)C(=O)[C@]2(C(=O)[O-])CNCCO2)s1 ZINC001341620450 953241507 /nfs/dbraw/zinc/24/15/07/953241507.db2.gz XNCYPZUBLOLPHZ-ZDUSSCGKSA-N -1 1 313.379 0.107 20 0 DCADMM Cc1cc(C)c2c(c1)CCN(C(=O)[C@]1(C(=O)[O-])CNCCO1)C2 ZINC001343014669 953317656 /nfs/dbraw/zinc/31/76/56/953317656.db2.gz BDKGQNPUOODTQZ-KRWDZBQOSA-N -1 1 318.373 0.631 20 0 DCADMM C1=CCN(c2nnc(-c3nnn[n-]3)n2C[C@@H]2CCCO2)CC1 ZINC001343126744 953323617 /nfs/dbraw/zinc/32/36/17/953323617.db2.gz SARJVVWRDVQTID-JTQLQIEISA-N -1 1 302.342 0.404 20 0 DCADMM C1=CCN(c2nnc(-c3nn[n-]n3)n2C[C@@H]2CCCO2)CC1 ZINC001343126744 953323618 /nfs/dbraw/zinc/32/36/18/953323618.db2.gz SARJVVWRDVQTID-JTQLQIEISA-N -1 1 302.342 0.404 20 0 DCADMM Cc1ccccc1[C@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CNCCO2)C1 ZINC001343221356 953329957 /nfs/dbraw/zinc/32/99/57/953329957.db2.gz DRXMWOJQWSQLDH-SUMWQHHRSA-N -1 1 318.373 0.754 20 0 DCADMM CON(C)C(=O)C1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001343647952 953361619 /nfs/dbraw/zinc/36/16/19/953361619.db2.gz SEAICRAMRKWGNB-UHFFFAOYSA-N -1 1 319.365 0.254 20 0 DCADMM CCOCCCn1c(Cc2nnn[n-]2)nnc1N1CC[C@H](C)C1 ZINC001343899487 953391068 /nfs/dbraw/zinc/39/10/68/953391068.db2.gz IZBXAFRZTSVEBY-NSHDSACASA-N -1 1 320.401 0.655 20 0 DCADMM CCOCCCn1c(Cc2nn[n-]n2)nnc1N1CC[C@H](C)C1 ZINC001343899487 953391083 /nfs/dbraw/zinc/39/10/83/953391083.db2.gz IZBXAFRZTSVEBY-NSHDSACASA-N -1 1 320.401 0.655 20 0 DCADMM Cc1nn(C)cc1C(=O)OCCc1c(C)nc2nc[n-]n2c1=O ZINC001344021870 953408416 /nfs/dbraw/zinc/40/84/16/953408416.db2.gz KNEONFRBDXJGFR-UHFFFAOYSA-N -1 1 316.321 0.167 20 0 DCADMM CC[C@H](C)[C@H](NCC(=O)NCC(=O)NC(C)(C)C)C(=O)[O-] ZINC001593613822 953478841 /nfs/dbraw/zinc/47/88/41/953478841.db2.gz AOYPTTMQEUOLAQ-CABZTGNLSA-N -1 1 301.387 0.106 20 0 DCADMM CCCOCC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001282064857 953479124 /nfs/dbraw/zinc/47/91/24/953479124.db2.gz PDTNXQYCCKIQIS-TXEJJXNPSA-N -1 1 321.377 0.838 20 0 DCADMM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C1CCC(N2CCOCC2)CC1 ZINC001594795330 953711729 /nfs/dbraw/zinc/71/17/29/953711729.db2.gz LBSQVCRUEKRAGU-AEBJDNRDSA-N -1 1 310.394 0.857 20 0 DCADMM C[C@@H]1CCN1C(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001345751232 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DCADMM Cc1cc(C)c(C(=O)NC[C@@H](C)NCc2n[nH]c(=O)[n-]2)c(=O)[nH]1 ZINC001366310297 954000403 /nfs/dbraw/zinc/00/04/03/954000403.db2.gz FPQPCJFQAATBIY-SECBINFHSA-N -1 1 320.353 0.136 20 0 DCADMM O=C([O-])[C@H](C(=O)NCc1nnc([C@H]2CCOC2)[nH]1)C1CCCC1 ZINC001594835961 954026060 /nfs/dbraw/zinc/02/60/60/954026060.db2.gz NORDPTPXJNANOR-JQWIXIFHSA-N -1 1 322.365 0.816 20 0 DCADMM O=C([O-])[C@H](C(=O)NCc1n[nH]c([C@H]2CCOC2)n1)C1CCCC1 ZINC001594835961 954026073 /nfs/dbraw/zinc/02/60/73/954026073.db2.gz NORDPTPXJNANOR-JQWIXIFHSA-N -1 1 322.365 0.816 20 0 DCADMM O=C([O-])[C@@H](C(=O)Nc1nc(SCCO)n[nH]1)C1CCCC1 ZINC001594838399 954051619 /nfs/dbraw/zinc/05/16/19/954051619.db2.gz OWQCUUUQAGLLRC-MRVPVSSYSA-N -1 1 314.367 0.719 20 0 DCADMM O=C(NCCCNC(=O)[C@@H]1CCCCO1)c1ncccc1[O-] ZINC001283223549 954157787 /nfs/dbraw/zinc/15/77/87/954157787.db2.gz ARRHRVBTKZXHKI-LBPRGKRZSA-N -1 1 307.350 0.592 20 0 DCADMM CN(CCNC(=O)CC1(C)CCCC1)Cc1nc(=O)n(C)[n-]1 ZINC001366526605 954346518 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312.410 0.960 20 0 DCADMM CC(C)c1nocc1C(=O)N(C)C[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001379149731 962199490 /nfs/dbraw/zinc/19/94/90/962199490.db2.gz RJAFYZSPBLKUPP-SECBINFHSA-N -1 1 322.369 0.872 20 0 DCADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@]2(CCOC2=O)C1 ZINC001363977022 962223853 /nfs/dbraw/zinc/22/38/53/962223853.db2.gz QCFNQIGFOUKYCO-HNNXBMFYSA-N -1 1 303.318 0.839 20 0 DCADMM O=S(=O)([N-]Cc1nnnn1CC1CC1)c1ccns1 ZINC001363985427 962241340 /nfs/dbraw/zinc/24/13/40/962241340.db2.gz BBSKTLKHBCVTDO-UHFFFAOYSA-N -1 1 300.369 0.018 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)NC2(C(N)=O)CCCC2)c1 ZINC001363987602 962244732 /nfs/dbraw/zinc/24/47/32/962244732.db2.gz YWGCSULHJVPNLX-UHFFFAOYSA-N -1 1 314.363 0.477 20 0 DCADMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001363991729 962253212 /nfs/dbraw/zinc/25/32/12/962253212.db2.gz JRMAFCZSSNOHID-GRYCIOLGSA-N -1 1 323.386 0.765 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@@H](OC(C)C)C2)[n-]n1 ZINC001364005790 962278060 /nfs/dbraw/zinc/27/80/60/962278060.db2.gz VGENMEPFOGIEJY-DTORHVGOSA-N -1 1 317.367 0.431 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@@H](OC(C)C)C2)n[n-]1 ZINC001364005790 962278080 /nfs/dbraw/zinc/27/80/80/962278080.db2.gz VGENMEPFOGIEJY-DTORHVGOSA-N -1 1 317.367 0.431 20 0 DCADMM COC[C@H](NC(=O)[C@H]1CCN(C)c2ccccc21)c1nn[n-]n1 ZINC001364020048 962306814 /nfs/dbraw/zinc/30/68/14/962306814.db2.gz CMSMKEMPOXHMPM-RYUDHWBXSA-N -1 1 316.365 0.627 20 0 DCADMM O=S(=O)(NCc1nnc([C@H]2CCOC2)[nH]1)c1ccccc1[O-] ZINC001364028356 962324232 /nfs/dbraw/zinc/32/42/32/962324232.db2.gz NCIQVEPXHJTYQR-VIFPVBQESA-N -1 1 324.362 0.493 20 0 DCADMM COC[C@@H](NC(=O)c1cnn(CC(C)C)c1C)c1nn[n-]n1 ZINC001364035530 962338524 /nfs/dbraw/zinc/33/85/24/962338524.db2.gz QPZONBCFCVIVSC-LLVKDONJSA-N -1 1 307.358 0.478 20 0 DCADMM COC[C@@H](NC(=O)CCC(=O)c1cccc(F)c1)c1nn[n-]n1 ZINC001364035263 962340249 /nfs/dbraw/zinc/34/02/49/962340249.db2.gz QDCANAZOYHDGNL-LLVKDONJSA-N -1 1 321.312 0.806 20 0 DCADMM 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/nfs/dbraw/zinc/12/64/78/1017126478.db2.gz DHLPFHISRQGDFZ-DTWKUNHWSA-N -1 1 319.383 0.414 20 0 DCADMM Cn1cccc1CN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001605511710 973689843 /nfs/dbraw/zinc/68/98/43/973689843.db2.gz PWVLNWASEZCKHN-LBPRGKRZSA-N -1 1 305.378 0.923 20 0 DCADMM Cn1nc(C(=O)[O-])cc1C(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001605540467 973745668 /nfs/dbraw/zinc/74/56/68/973745668.db2.gz XSZQLFHKCPMTRS-UHFFFAOYSA-N -1 1 301.262 0.953 20 0 DCADMM Cn1ncc(C(=O)[O-])c1CN1CCC(Cn2ccnn2)CC1 ZINC001605550913 973767537 /nfs/dbraw/zinc/76/75/37/973767537.db2.gz XTHPWIQJMQHDCF-UHFFFAOYSA-N -1 1 304.354 0.622 20 0 DCADMM Cn1nccc1[C@H](N[C@H]1CCC2(C[C@H]1F)OCCO2)C(=O)[O-] ZINC001605567444 973813107 /nfs/dbraw/zinc/81/31/07/973813107.db2.gz FHOSDVNYJDWSRT-SCVCMEIPSA-N -1 1 313.329 0.769 20 0 DCADMM Cn1nccc1[C@H](N[C@@H]1CCC2(C[C@@H]1F)OCCO2)C(=O)[O-] ZINC001605567445 973813438 /nfs/dbraw/zinc/81/34/38/973813438.db2.gz FHOSDVNYJDWSRT-UMNHJUIQSA-N -1 1 313.329 0.769 20 0 DCADMM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC001606400314 973855280 /nfs/dbraw/zinc/85/52/80/973855280.db2.gz YSGHGBAJNSWNKC-BFHYXJOUSA-N -1 1 310.394 0.668 20 0 DCADMM N[C@@H](CC(=O)[O-])c1noc(-c2ccc3c(c2)OCC(=O)N3)n1 ZINC001605648915 974017491 /nfs/dbraw/zinc/01/74/91/974017491.db2.gz IVHVNBHXTIHKDK-ZETCQYMHSA-N -1 1 304.262 0.542 20 0 DCADMM Nc1nccc(N2CCC[C@@H](OC(=O)[C@@H](C(=O)[O-])C3CC3)C2)n1 ZINC001605655166 974044219 /nfs/dbraw/zinc/04/42/19/974044219.db2.gz INFNYTVJHWGACQ-ZYHUDNBSSA-N -1 1 320.349 0.682 20 0 DCADMM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)CCc1nc[nH]n1)O2 ZINC001605689739 974109550 /nfs/dbraw/zinc/10/95/50/974109550.db2.gz ZWCPMXMRHYRVSG-OPASDULOSA-N -1 1 308.338 0.266 20 0 DCADMM CCN(C(=O)CN(C)c1ncnc2[nH]cnc21)[C@H](C)C(=O)[O-] ZINC001603714012 974120632 /nfs/dbraw/zinc/12/06/32/974120632.db2.gz RNLJKRGEZSEVCI-MRVPVSSYSA-N -1 1 306.326 0.111 20 0 DCADMM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cccc3c[nH]nc31)C2 ZINC001549229000 1014181531 /nfs/dbraw/zinc/18/15/31/1014181531.db2.gz IRCGEGDSRXMRNY-BONVTDFDSA-N -1 1 301.302 0.736 20 0 DCADMM CCc1cc(CNC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)n[nH]1 ZINC001603968316 974449427 /nfs/dbraw/zinc/44/94/27/974449427.db2.gz POUFVYXRFOAPLW-CQSZACIVSA-N -1 1 310.354 0.605 20 0 DCADMM Nc1nc2c(c(N3C[C@@H]4COC[C@@]4(C(=O)[O-])C3)n1)CCCC2 ZINC001549297687 1014207206 /nfs/dbraw/zinc/20/72/06/1014207206.db2.gz MBVDLQIHSXKTED-PSLIRLAXSA-N -1 1 304.350 0.475 20 0 DCADMM CC(C)SCC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001591824073 976081387 /nfs/dbraw/zinc/08/13/87/976081387.db2.gz VLEINKMXIMGGAC-UHFFFAOYSA-N -1 1 317.455 0.289 20 0 DCADMM CN(CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)c1ncccc1[O-] ZINC001528700156 1014387195 /nfs/dbraw/zinc/38/71/95/1014387195.db2.gz AMZDPAMPTDVCFW-WZRBSPASSA-N -1 1 319.361 0.543 20 0 DCADMM CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NC1CC(CC(=O)[O-])C1 ZINC000718023803 977929136 /nfs/dbraw/zinc/92/91/36/977929136.db2.gz IFUQHWZMJDCQNY-YMAMQOFZSA-N -1 1 319.405 0.815 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CC2OCCCO2)CC1 ZINC001592410794 978005361 /nfs/dbraw/zinc/00/53/61/978005361.db2.gz QVQRARJBQAGQES-LLVKDONJSA-N -1 1 300.355 0.147 20 0 DCADMM C[C@H](C[N@@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1)C(=O)c1ccc([O-])cc1 ZINC001592610718 978565007 /nfs/dbraw/zinc/56/50/07/978565007.db2.gz KLXPGWCTADSTHR-SCDSUCTJSA-N -1 1 307.346 0.978 20 0 DCADMM C[C@H](C[N@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1)C(=O)c1ccc([O-])cc1 ZINC001592610718 978565011 /nfs/dbraw/zinc/56/50/11/978565011.db2.gz KLXPGWCTADSTHR-SCDSUCTJSA-N -1 1 307.346 0.978 20 0 DCADMM CO[C@H](C)CC(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001449583557 1014563866 /nfs/dbraw/zinc/56/38/66/1014563866.db2.gz KPJQAQKTDOVVRK-NEPJUHHUSA-N -1 1 321.377 0.933 20 0 DCADMM C[C@@H](NC(=O)Cc1ncc[nH]1)[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001449628280 1014597169 /nfs/dbraw/zinc/59/71/69/1014597169.db2.gz AASIRQSKHRMPGD-NXEZZACHSA-N -1 1 317.349 0.376 20 0 DCADMM C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1)c1nnc[nH]1 ZINC001592987136 980166907 /nfs/dbraw/zinc/16/69/07/980166907.db2.gz OOSIXWQDUFKFLA-QMMMGPOBSA-N -1 1 317.305 0.248 20 0 DCADMM C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1)c1nnc[nH]1 ZINC001592987135 980166933 /nfs/dbraw/zinc/16/69/33/980166933.db2.gz OOSIXWQDUFKFLA-MRVPVSSYSA-N -1 1 317.305 0.248 20 0 DCADMM CC[C@]1(C2CC2)NC(=O)N(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)C1=O ZINC001595372265 980860174 /nfs/dbraw/zinc/86/01/74/980860174.db2.gz BZFNCCPNRGTGBP-XDMRBOTDSA-N -1 1 309.366 0.707 20 0 DCADMM CC[C@@](C)(NCC(=O)N[C@H](C(=O)NC)c1ccccc1)C(=O)[O-] ZINC001594849598 982088456 /nfs/dbraw/zinc/08/84/56/982088456.db2.gz XXTOFZZRKUOIFR-XJKSGUPXSA-N -1 1 321.377 0.433 20 0 DCADMM CCCCCC[C@@](O)(CN1CCN(C(=O)NC)CC1)C(=O)[O-] ZINC001595696272 982226537 /nfs/dbraw/zinc/22/65/37/982226537.db2.gz FDAGNLHXLPGAPT-OAHLLOKOSA-N -1 1 315.414 0.730 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@](CO)(C(C)C)C1)C(=O)[O-] ZINC001594893650 982309829 /nfs/dbraw/zinc/30/98/29/982309829.db2.gz WOMPMZJKILPEBD-DUVNUKRYSA-N -1 1 314.426 0.942 20 0 DCADMM CCCN(C)S(=O)(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001595839838 982756555 /nfs/dbraw/zinc/75/65/55/982756555.db2.gz YFJUSHDGQISUHD-LLVKDONJSA-N -1 1 307.416 0.054 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)c1cnncc1[O-] ZINC001550832738 1014880021 /nfs/dbraw/zinc/88/00/21/1014880021.db2.gz LNQJLQFFSWORCN-NSHDSACASA-N -1 1 300.318 0.688 20 0 DCADMM Cn1cnnc1CCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001450109140 1014915507 /nfs/dbraw/zinc/91/55/07/1014915507.db2.gz ITMSRDQIBNPXNO-UHFFFAOYSA-N -1 1 302.338 0.551 20 0 DCADMM CN1C[C@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CC1=O ZINC001573883281 983133277 /nfs/dbraw/zinc/13/32/77/983133277.db2.gz SJJOBAKTSJAGCZ-SSDOTTSWSA-N -1 1 302.290 0.678 20 0 DCADMM Cn1cc(C(=O)[O-])c(NC(=O)Cc2n[nH]c3c2CCCC3)n1 ZINC001574212577 983193794 /nfs/dbraw/zinc/19/37/94/983193794.db2.gz YGGTZDUYNRANKV-UHFFFAOYSA-N -1 1 303.322 0.901 20 0 DCADMM O=C([O-])c1cccc2nc(NC(=O)C3=CCS(=O)(=O)C3)[nH]c21 ZINC001574345658 983221632 /nfs/dbraw/zinc/22/16/32/983221632.db2.gz NMKHJGKGASZACT-UHFFFAOYSA-N -1 1 321.314 0.554 20 0 DCADMM O=C([O-])CCCS(=O)(=O)N1CCc2nc[nH]c2C12CCC2 ZINC001574361854 983228177 /nfs/dbraw/zinc/22/81/77/983228177.db2.gz OFIUBOPGPRNQBA-UHFFFAOYSA-N -1 1 313.379 0.842 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1ccc(OC)nc1 ZINC001596332383 983770082 /nfs/dbraw/zinc/77/00/82/983770082.db2.gz IBBPHDDWXFFEBB-CHWSQXEVSA-N -1 1 321.377 0.749 20 0 DCADMM CCN(CCNCc1ccc(F)cn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596340082 983786158 /nfs/dbraw/zinc/78/61/58/983786158.db2.gz VGMSNBOKAIJRKN-OLZOCXBDSA-N -1 1 309.341 0.880 20 0 DCADMM CCN1C[C@@H](C)N(C(=O)Cn2cccc(C(=O)[O-])c2=O)C[C@H]1C ZINC001596396411 983941837 /nfs/dbraw/zinc/94/18/37/983941837.db2.gz RUFMQNWNLYJICP-VXGBXAGGSA-N -1 1 321.377 0.488 20 0 DCADMM CCN1CC[C@@H]([N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)C1=O ZINC001596407521 983978562 /nfs/dbraw/zinc/97/85/62/983978562.db2.gz GFUBCXLFDUMFKD-FMCALUSXSA-N -1 1 310.350 0.105 20 0 DCADMM CCN1CC[C@H](N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001596408327 983983059 /nfs/dbraw/zinc/98/30/59/983983059.db2.gz AZYPFAGEEMICSP-JQWIXIFHSA-N -1 1 307.354 0.234 20 0 DCADMM CCN1CC[C@@H]1CNC(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001596415898 984029377 /nfs/dbraw/zinc/02/93/77/984029377.db2.gz XEQLPMZHEZRVSC-SECBINFHSA-N -1 1 312.395 0.777 20 0 DCADMM CCN1CCCC[C@@H]1CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001596423572 984064929 /nfs/dbraw/zinc/06/49/29/984064929.db2.gz BQICJDZFKCMFLM-UTUOFQBUSA-N -1 1 304.412 0.643 20 0 DCADMM CCNc1cccnc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001596504369 984258577 /nfs/dbraw/zinc/25/85/77/984258577.db2.gz NLGWLTHZCZLWOB-LLVKDONJSA-N -1 1 303.322 0.662 20 0 DCADMM COC[C@H](C)C(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001450309217 1015036142 /nfs/dbraw/zinc/03/61/42/1015036142.db2.gz KJNUSYUFKNMWDG-QWRGUYRKSA-N -1 1 321.377 0.646 20 0 DCADMM CC[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1ncccc1[O-] ZINC001531068896 1015039466 /nfs/dbraw/zinc/03/94/66/1015039466.db2.gz YXQDFVZKHYXWIL-PWSUYJOCSA-N -1 1 307.350 0.591 20 0 DCADMM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001596677540 984753431 /nfs/dbraw/zinc/75/34/31/984753431.db2.gz GTLOIXDVGACPMX-AXFHLTTASA-N -1 1 309.322 0.111 20 0 DCADMM CNC(=O)[C@]12CN(C(=O)c3nccc(C)c3[O-])C[C@@H]1COCC2 ZINC001551433418 1015076209 /nfs/dbraw/zinc/07/62/09/1015076209.db2.gz BEZXDQFMCDSLAM-BDJLRTHQSA-N -1 1 319.361 0.320 20 0 DCADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)[C@@H]1CCOC1 ZINC001383711799 985032399 /nfs/dbraw/zinc/03/23/99/985032399.db2.gz UZVKOZQYOKRFCU-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM CC[C@@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1ncccc1[O-] ZINC001383895355 985178081 /nfs/dbraw/zinc/17/80/81/985178081.db2.gz BOHBPVWUNGHDNZ-GHMZBOCLSA-N -1 1 309.366 0.430 20 0 DCADMM CC[C@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001383996654 985263976 /nfs/dbraw/zinc/26/39/76/985263976.db2.gz CLEPLUNEEKEGRO-DMDPSCGWSA-N -1 1 321.377 0.525 20 0 DCADMM CC[C@@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001383996658 985264797 /nfs/dbraw/zinc/26/47/97/985264797.db2.gz CLEPLUNEEKEGRO-NQBHXWOUSA-N -1 1 321.377 0.525 20 0 DCADMM CCO[C@@H]1C[C@](NC(=O)Cc2n[nH]c(C)n2)(C(=O)[O-])C1(C)C ZINC001596817647 985393740 /nfs/dbraw/zinc/39/37/40/985393740.db2.gz KGWMUERPKNGTBC-OTYXRUKQSA-N -1 1 310.354 0.430 20 0 DCADMM COC[C@@H](C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001384347364 985521793 /nfs/dbraw/zinc/52/17/93/985521793.db2.gz LOQKMIYJZXXDTE-VXGBXAGGSA-N -1 1 321.377 0.743 20 0 DCADMM C[C@H]1CN(C(=O)c2c(C3CC3)cnn2C)CCN1CCC(=O)[O-] ZINC001594485478 985555572 /nfs/dbraw/zinc/55/55/72/985555572.db2.gz LQWMJVCFXBNTSI-NSHDSACASA-N -1 1 320.393 0.919 20 0 DCADMM C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594508439 985749837 /nfs/dbraw/zinc/74/98/37/985749837.db2.gz RNTQMPWXUCUVPQ-XCBNKYQSSA-N -1 1 315.351 0.134 20 0 DCADMM CC(=O)c1[nH]c(CC(=O)N2CC[N@H+]3CC[C@H]2C3)c(C(=O)[O-])c1C ZINC001589238603 985814321 /nfs/dbraw/zinc/81/43/21/985814321.db2.gz VGVAVISBGMKSSK-NSHDSACASA-N -1 1 319.361 0.683 20 0 DCADMM CC(=O)c1[nH]c(CC(=O)N2CCN3CC[C@H]2C3)c(C(=O)[O-])c1C ZINC001589238603 985814335 /nfs/dbraw/zinc/81/43/35/985814335.db2.gz VGVAVISBGMKSSK-NSHDSACASA-N -1 1 319.361 0.683 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC001450481381 1015165674 /nfs/dbraw/zinc/16/56/74/1015165674.db2.gz HUGXVTJHXNJXLE-VIFPVBQESA-N -1 1 318.337 0.539 20 0 DCADMM CCOCC(=O)N(C)C[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001384852429 985893536 /nfs/dbraw/zinc/89/35/36/985893536.db2.gz DRDUDIRXXQOGAX-NSHDSACASA-N -1 1 307.350 0.497 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1COCC1(C)C ZINC001594516883 985917641 /nfs/dbraw/zinc/91/76/41/985917641.db2.gz VSKYJXOYZCOUFU-NEPJUHHUSA-N -1 1 313.398 0.602 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)N(C)Cc1ccco1 ZINC001594521991 985999769 /nfs/dbraw/zinc/99/97/69/985999769.db2.gz MDFCTDCLWKBDFJ-ZDUSSCGKSA-N -1 1 323.393 0.719 20 0 DCADMM C[C@]1(CNC(=O)C2CC2)CN(C(=O)c2ncccc2[O-])CCO1 ZINC001385170545 986134729 /nfs/dbraw/zinc/13/47/29/986134729.db2.gz SEAVITSASHWCOS-INIZCTEOSA-N -1 1 319.361 0.545 20 0 DCADMM COCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC001385191099 986146631 /nfs/dbraw/zinc/14/66/31/986146631.db2.gz ANCOUORGDISOJO-WOPDTQHZSA-N -1 1 319.361 0.685 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)[C@@H](C)CN1 ZINC001594554738 986277223 /nfs/dbraw/zinc/27/72/23/986277223.db2.gz QQYFVTLGVBJVKP-IUCAKERBSA-N -1 1 316.354 0.895 20 0 DCADMM C[C@@H](C(=O)N1CCN(CC(=O)[O-])CC1)c1ccc2c(c1)OCO2 ZINC001589360747 986372978 /nfs/dbraw/zinc/37/29/78/986372978.db2.gz OHJIVLOCNIQJPC-LLVKDONJSA-N -1 1 320.345 0.748 20 0 DCADMM CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)CCCC(=O)[O-] ZINC001589372976 986420142 /nfs/dbraw/zinc/42/01/42/986420142.db2.gz AFPPSCGTSZFHCO-MRVPVSSYSA-N -1 1 322.383 0.279 20 0 DCADMM C[C@@H]1CNCCN1C(=O)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594584584 986464684 /nfs/dbraw/zinc/46/46/84/986464684.db2.gz JOYHSWWDFNMYIU-SECBINFHSA-N -1 1 323.324 0.212 20 0 DCADMM O=C(CCc1nn[n-]n1)NC[C@@H]1CCCN1c1ccccc1 ZINC001551943963 1015235196 /nfs/dbraw/zinc/23/51/96/1015235196.db2.gz PLGPCTQTTZSFBP-ZDUSSCGKSA-N -1 1 300.366 0.918 20 0 DCADMM O=C(CCc1nn[n-]n1)NC[C@H]1CCCN1c1ccccc1 ZINC001551943959 1015236749 /nfs/dbraw/zinc/23/67/49/1015236749.db2.gz PLGPCTQTTZSFBP-CYBMUJFWSA-N -1 1 300.366 0.918 20 0 DCADMM Cc1nn(C)cc1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001386199413 986945308 /nfs/dbraw/zinc/94/53/08/986945308.db2.gz IILRCQQGLAJOJA-VIFPVBQESA-N -1 1 317.349 0.377 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccn(C)n1 ZINC001386241684 986988984 /nfs/dbraw/zinc/98/89/84/986988984.db2.gz PQGNBGVQNDIPIX-VIFPVBQESA-N -1 1 303.322 0.069 20 0 DCADMM CCS(=O)(=O)N1CCN(C[C@@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001597220630 987152583 /nfs/dbraw/zinc/15/25/83/987152583.db2.gz BGQUWSRWTSIXKU-QWHCGFSZSA-N -1 1 318.439 0.845 20 0 DCADMM CCc1[nH]c(CN2CCC(OCC(N)=O)CC2)cc1C(=O)[O-] ZINC001597385264 987594206 /nfs/dbraw/zinc/59/42/06/987594206.db2.gz RKLULIIUMXNZAF-UHFFFAOYSA-N -1 1 309.366 0.742 20 0 DCADMM C[C@H]1COCC[C@H]1C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001387088436 987625444 /nfs/dbraw/zinc/62/54/44/987625444.db2.gz BTHRYOMXJXYIKC-NWDGAFQWSA-N -1 1 321.377 0.648 20 0 DCADMM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@H]2CCCc3n[nH]nc32)cn1 ZINC001589663481 987640766 /nfs/dbraw/zinc/64/07/66/987640766.db2.gz DCNHKTRMOVNBPZ-SECBINFHSA-N -1 1 318.337 0.880 20 0 DCADMM CC[C@H](OC)C(=O)NCCN(CC)C(=O)c1ncccc1[O-] ZINC001387172464 987680235 /nfs/dbraw/zinc/68/02/35/987680235.db2.gz JUVLFXSDADXLDH-LBPRGKRZSA-N -1 1 309.366 0.791 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001387747566 988113431 /nfs/dbraw/zinc/11/34/31/988113431.db2.gz OOFLXIJEDQFZSO-ONGXEEELSA-N -1 1 318.377 0.904 20 0 DCADMM CC(C)(C)N(CC(N)=O)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001589796355 988195685 /nfs/dbraw/zinc/19/56/85/988195685.db2.gz 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DCADMM CN(CCNC(=O)[C@H]1CCC(F)(F)C1)Cc1nc(=O)n(C)[n-]1 ZINC001390763770 990364676 /nfs/dbraw/zinc/36/46/76/990364676.db2.gz FARDNXXYQBMDDN-VIFPVBQESA-N -1 1 317.340 0.092 20 0 DCADMM Cc1cc(F)cc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)c1 ZINC001390819891 990411978 /nfs/dbraw/zinc/41/19/78/990411978.db2.gz PJPOKMKTZXTHQU-UHFFFAOYSA-N -1 1 321.356 0.418 20 0 DCADMM Cc1cc(C)cc(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)c1 ZINC001390855897 990440787 /nfs/dbraw/zinc/44/07/87/990440787.db2.gz UABBXAYNSMLSLU-UHFFFAOYSA-N -1 1 317.393 0.587 20 0 DCADMM O=C(NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc[nH]1 ZINC001391290903 990722026 /nfs/dbraw/zinc/72/20/26/990722026.db2.gz IVVYYOBXSOOMKU-SNVBAGLBSA-N -1 1 304.354 0.480 20 0 DCADMM Cc1cc(C(=O)NCC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)on1 ZINC001391299437 990729644 /nfs/dbraw/zinc/72/96/44/990729644.db2.gz YLIZLEMPBNBLNF-SNVBAGLBSA-N -1 1 320.353 0.449 20 0 DCADMM CO[C@@]12CCC[C@]1(C(=O)N1CCC(c3nn[n-]n3)CC1)CCO2 ZINC001552991120 1015585022 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321.425 0.768 20 0 DCADMM CCc1noc(C)c1C(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001394000479 993403782 /nfs/dbraw/zinc/40/37/82/993403782.db2.gz XIURLHABRKFXAU-SFYZADRCSA-N -1 1 322.369 0.666 20 0 DCADMM CCc1noc(C)c1C(=O)N[C@H](C)[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001394000467 993404162 /nfs/dbraw/zinc/40/41/62/993404162.db2.gz XIURLHABRKFXAU-HTQZYQBOSA-N -1 1 322.369 0.666 20 0 DCADMM CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C1=COCCC1 ZINC001394200372 993536921 /nfs/dbraw/zinc/53/69/21/993536921.db2.gz HXIXWKUILIJVPS-LBPRGKRZSA-N -1 1 323.397 0.969 20 0 DCADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C1=COCCC1 ZINC001394200368 993537187 /nfs/dbraw/zinc/53/71/87/993537187.db2.gz HXIXWKUILIJVPS-GFCCVEGCSA-N -1 1 323.397 0.969 20 0 DCADMM CCCC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001394251624 993570978 /nfs/dbraw/zinc/57/09/78/993570978.db2.gz NLDDPTHYAGDDGX-NSHDSACASA-N -1 1 323.441 0.871 20 0 DCADMM CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001598602445 993580357 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/nfs/dbraw/zinc/99/97/13/607999713.db2.gz QDPPGADQXGTZCV-ZETCQYMHSA-N -1 1 315.330 0.007 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCCCC(F)(F)F)c1=O ZINC000826356530 608096363 /nfs/dbraw/zinc/09/63/63/608096363.db2.gz VEZQOTLOZYGNBH-UHFFFAOYSA-N -1 1 318.259 0.460 20 0 DCADMM O=C1CN(c2nccnc2-c2nnn[n-]2)CN1Cc1ccccc1 ZINC000826481181 608147881 /nfs/dbraw/zinc/14/78/81/608147881.db2.gz KIZJZFAYSDHBPS-UHFFFAOYSA-N -1 1 322.332 0.463 20 0 DCADMM O=C1CN(c2nccnc2-c2nn[n-]n2)CN1Cc1ccccc1 ZINC000826481181 608147883 /nfs/dbraw/zinc/14/78/83/608147883.db2.gz KIZJZFAYSDHBPS-UHFFFAOYSA-N -1 1 322.332 0.463 20 0 DCADMM COCCOC1CN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826160540 608188851 /nfs/dbraw/zinc/18/88/51/608188851.db2.gz VVDIPWOLHCNIJW-UHFFFAOYSA-N -1 1 316.774 0.828 20 0 DCADMM COCCOC1CN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826160540 608188852 /nfs/dbraw/zinc/18/88/52/608188852.db2.gz VVDIPWOLHCNIJW-UHFFFAOYSA-N -1 1 316.774 0.828 20 0 DCADMM C[C@H]1CO[C@@H](CO)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825006670 608189869 /nfs/dbraw/zinc/18/98/69/608189869.db2.gz NVHMAELQEJRHSB-NTSWFWBYSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@H]1CO[C@@H](CO)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825006670 608189870 /nfs/dbraw/zinc/18/98/70/608189870.db2.gz NVHMAELQEJRHSB-NTSWFWBYSA-N -1 1 316.774 0.563 20 0 DCADMM O=C(NC[C@H](O)c1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826433533 608197709 /nfs/dbraw/zinc/19/77/09/608197709.db2.gz JLNVLLGEQCDFDX-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NC[C@H](O)c1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826433533 608197711 /nfs/dbraw/zinc/19/77/11/608197711.db2.gz JLNVLLGEQCDFDX-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM COc1c(C)cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1C ZINC000826167046 608355711 /nfs/dbraw/zinc/35/57/11/608355711.db2.gz NGGKUKQEGCQMLC-UHFFFAOYSA-N -1 1 313.321 0.959 20 0 DCADMM OC[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccco1 ZINC000826507370 608395834 /nfs/dbraw/zinc/39/58/34/608395834.db2.gz NLINNWLJPAIMKH-SECBINFHSA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccco1 ZINC000826507370 608395836 /nfs/dbraw/zinc/39/58/36/608395836.db2.gz NLINNWLJPAIMKH-SECBINFHSA-N -1 1 301.310 0.513 20 0 DCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccnn1C ZINC000826294917 608399889 /nfs/dbraw/zinc/39/98/89/608399889.db2.gz JLMWXPLDTVBGIS-UHFFFAOYSA-N -1 1 322.332 0.667 20 0 DCADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC000826502364 608405848 /nfs/dbraw/zinc/40/58/48/608405848.db2.gz BQUVJUBWGTWUFR-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC000826502364 608405849 /nfs/dbraw/zinc/40/58/49/608405849.db2.gz BQUVJUBWGTWUFR-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM COCCOC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826160384 608419474 /nfs/dbraw/zinc/41/94/74/608419474.db2.gz PTKDZHLWKOZLCM-UHFFFAOYSA-N -1 1 305.342 0.289 20 0 DCADMM COCCOC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826160384 608419475 /nfs/dbraw/zinc/41/94/75/608419475.db2.gz PTKDZHLWKOZLCM-UHFFFAOYSA-N -1 1 305.342 0.289 20 0 DCADMM O[C@@]1(C(F)(F)F)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826505124 608423644 /nfs/dbraw/zinc/42/36/44/608423644.db2.gz NIJCZXKAFIVNGM-VIFPVBQESA-N -1 1 301.232 0.160 20 0 DCADMM O[C@@]1(C(F)(F)F)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826505124 608423642 /nfs/dbraw/zinc/42/36/42/608423642.db2.gz NIJCZXKAFIVNGM-VIFPVBQESA-N -1 1 301.232 0.160 20 0 DCADMM O=C(NCCc1cnccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000826440016 608433024 /nfs/dbraw/zinc/43/30/24/608433024.db2.gz UTYNASVICOCALF-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM O=C(NCCc1cnccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000826440016 608433026 /nfs/dbraw/zinc/43/30/26/608433026.db2.gz UTYNASVICOCALF-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N(C)CC(=O)NC(C)(C)C ZINC000826279926 608542020 /nfs/dbraw/zinc/54/20/20/608542020.db2.gz HXPIZBOCKZOCDP-UHFFFAOYSA-N -1 1 303.370 0.921 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)CC(=O)NC(C)(C)C ZINC000826279926 608542022 /nfs/dbraw/zinc/54/20/22/608542022.db2.gz HXPIZBOCKZOCDP-UHFFFAOYSA-N -1 1 303.370 0.921 20 0 DCADMM CNC(=O)C1CCN(c2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC000826060612 608543513 /nfs/dbraw/zinc/54/35/13/608543513.db2.gz POEQCHMNCPNGPB-UHFFFAOYSA-N -1 1 301.354 0.533 20 0 DCADMM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824860658 608714760 /nfs/dbraw/zinc/71/47/60/608714760.db2.gz XAHOEVPFWIYPIR-BDAKNGLRSA-N -1 1 311.367 0.467 20 0 DCADMM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000824860658 608714762 /nfs/dbraw/zinc/71/47/62/608714762.db2.gz XAHOEVPFWIYPIR-BDAKNGLRSA-N -1 1 311.367 0.467 20 0 DCADMM Cn1cc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)cn1 ZINC000826360092 608724943 /nfs/dbraw/zinc/72/49/43/608724943.db2.gz XKXCHHTURUWKDT-CYBMUJFWSA-N -1 1 315.337 0.767 20 0 DCADMM Cn1cc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)cn1 ZINC000826360092 608724944 /nfs/dbraw/zinc/72/49/44/608724944.db2.gz XKXCHHTURUWKDT-CYBMUJFWSA-N -1 1 315.337 0.767 20 0 DCADMM Cn1c(Cn2ccnc2-c2nnn[n-]2)nc2ccccc2c1=O ZINC000826355782 608892584 /nfs/dbraw/zinc/89/25/84/608892584.db2.gz NAOBLNDJYJNRML-UHFFFAOYSA-N -1 1 308.305 0.358 20 0 DCADMM Cn1c(Cn2ccnc2-c2nn[n-]n2)nc2ccccc2c1=O ZINC000826355782 608892589 /nfs/dbraw/zinc/89/25/89/608892589.db2.gz NAOBLNDJYJNRML-UHFFFAOYSA-N -1 1 308.305 0.358 20 0 DCADMM CC(C)N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC000824300914 609148483 /nfs/dbraw/zinc/14/84/83/609148483.db2.gz MUMZCNYCFMDAQQ-UHFFFAOYSA-N -1 1 301.354 0.314 20 0 DCADMM CC(C)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC000824300914 609148486 /nfs/dbraw/zinc/14/84/86/609148486.db2.gz MUMZCNYCFMDAQQ-UHFFFAOYSA-N -1 1 301.354 0.314 20 0 DCADMM CCOCCOC1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000825598957 609265916 /nfs/dbraw/zinc/26/59/16/609265916.db2.gz DUFWIBJOPJVASZ-UHFFFAOYSA-N -1 1 318.337 0.139 20 0 DCADMM CCOCCOC1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000825598957 609265918 /nfs/dbraw/zinc/26/59/18/609265918.db2.gz DUFWIBJOPJVASZ-UHFFFAOYSA-N -1 1 318.337 0.139 20 0 DCADMM CN(C)C(=O)CC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000825840818 609311349 /nfs/dbraw/zinc/31/13/49/609311349.db2.gz QXMDAYAAPOULDF-UHFFFAOYSA-N -1 1 315.381 0.956 20 0 DCADMM CN(C)C(=O)CC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000825840818 609311351 /nfs/dbraw/zinc/31/13/51/609311351.db2.gz QXMDAYAAPOULDF-UHFFFAOYSA-N -1 1 315.381 0.956 20 0 DCADMM CN(Cc1ncc(Cl)n1C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825998743 609434461 /nfs/dbraw/zinc/43/44/61/609434461.db2.gz BAXRQJOXKFOJPS-UHFFFAOYSA-N -1 1 305.733 0.680 20 0 DCADMM CN(Cc1ncc(Cl)n1C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825998743 609434463 /nfs/dbraw/zinc/43/44/63/609434463.db2.gz BAXRQJOXKFOJPS-UHFFFAOYSA-N -1 1 305.733 0.680 20 0 DCADMM Cc1onc(CC(=O)NCc2cnn(C)c2C)c1-c1nnn[n-]1 ZINC000826347828 609467921 /nfs/dbraw/zinc/46/79/21/609467921.db2.gz HVIZQUJQOSXRRK-UHFFFAOYSA-N -1 1 316.325 0.064 20 0 DCADMM Cc1onc(CC(=O)NCc2cnn(C)c2C)c1-c1nn[n-]n1 ZINC000826347828 609467922 /nfs/dbraw/zinc/46/79/22/609467922.db2.gz HVIZQUJQOSXRRK-UHFFFAOYSA-N -1 1 316.325 0.064 20 0 DCADMM CCC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(=O)OC ZINC000825242212 609469827 /nfs/dbraw/zinc/46/98/27/609469827.db2.gz LGQJHSAZXVMRSK-QMMMGPOBSA-N -1 1 322.325 0.164 20 0 DCADMM CCC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(=O)OC ZINC000825242212 609469829 /nfs/dbraw/zinc/46/98/29/609469829.db2.gz LGQJHSAZXVMRSK-QMMMGPOBSA-N -1 1 322.325 0.164 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCO[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826346506 609470967 /nfs/dbraw/zinc/47/09/67/609470967.db2.gz OANIEARVYSINPS-VXNVDRBHSA-N -1 1 306.326 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826346506 609470969 /nfs/dbraw/zinc/47/09/69/609470969.db2.gz OANIEARVYSINPS-VXNVDRBHSA-N -1 1 306.326 0.389 20 0 DCADMM c1cc(-c2nnn[n-]2)oc1CN1CCOC[C@@H]1c1ncon1 ZINC000826526566 609496264 /nfs/dbraw/zinc/49/62/64/609496264.db2.gz DIDYTFQRIWBNQV-SECBINFHSA-N -1 1 303.282 0.416 20 0 DCADMM c1cc(-c2nn[n-]n2)oc1CN1CCOC[C@@H]1c1ncon1 ZINC000826526566 609496267 /nfs/dbraw/zinc/49/62/67/609496267.db2.gz DIDYTFQRIWBNQV-SECBINFHSA-N -1 1 303.282 0.416 20 0 DCADMM COC[C@@](C)(NCc1cc(=O)n2c(C)csc2n1)C(=O)[O-] ZINC000392845153 972532558 /nfs/dbraw/zinc/53/25/58/972532558.db2.gz WVXRAJVVPWJWLV-CYBMUJFWSA-N -1 1 311.363 0.644 20 0 DCADMM CC(C)=CC(=O)N1CCO[C@H]([C@H](C)NCc2n[nH]c(=O)[n-]2)C1 ZINC000979186005 660682213 /nfs/dbraw/zinc/68/22/13/660682213.db2.gz SAITWDLHPNIDKS-QWRGUYRKSA-N -1 1 309.370 0.182 20 0 DCADMM O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CCCO2)C1)c1ncccc1[O-] ZINC000979439515 660747031 /nfs/dbraw/zinc/74/70/31/660747031.db2.gz RKRBHPAWSWBXJG-GVXVVHGQSA-N -1 1 319.361 0.591 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)nc1=O ZINC001027808460 660762704 /nfs/dbraw/zinc/76/27/04/660762704.db2.gz LEORTUDZJOPLJG-CIQGVGRVSA-N -1 1 319.409 0.235 20 0 DCADMM O=C(CN1CCC[C@H]1CNC(=O)c1ncccc1[O-])N1CCC1 ZINC001027844524 660828832 /nfs/dbraw/zinc/82/88/32/660828832.db2.gz UKKYRKNBVBSXOQ-LBPRGKRZSA-N -1 1 318.377 0.214 20 0 DCADMM Cn1nccc1CN1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027844265 660828994 /nfs/dbraw/zinc/82/89/94/660828994.db2.gz OTZKWSXZBZBJTO-GFCCVEGCSA-N -1 1 315.377 0.915 20 0 DCADMM CNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027844296 660829046 /nfs/dbraw/zinc/82/90/46/660829046.db2.gz POIWDFVGYLWCID-WDEREUQCSA-N -1 1 306.366 0.116 20 0 DCADMM CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccccc3O)C2)C1=O ZINC001006766577 660911643 /nfs/dbraw/zinc/91/16/43/660911643.db2.gz NVCQPNPIMUEOJJ-TZMCWYRMSA-N -1 1 317.389 0.817 20 0 DCADMM O=C(NC[C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1)c1cc(Cl)no1 ZINC000980368032 660922370 /nfs/dbraw/zinc/92/23/70/660922370.db2.gz KWPOOHOWPXQPDZ-LJGSYFOKSA-N -1 1 324.728 0.385 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)C[C@H]3C=CCC3)CC2)nc1=O ZINC000980680618 660981855 /nfs/dbraw/zinc/98/18/55/660981855.db2.gz CAWISCRMUJXEMZ-ZDUSSCGKSA-N -1 1 319.409 0.499 20 0 DCADMM O=C(c1ncccc1[O-])N1CCCN(Cc2ncccn2)CC1 ZINC000981026875 661067285 /nfs/dbraw/zinc/06/72/85/661067285.db2.gz OTLKPNBRXSOOML-UHFFFAOYSA-N -1 1 313.361 0.925 20 0 DCADMM Cc1nonc1CN1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000981026895 661067525 /nfs/dbraw/zinc/06/75/25/661067525.db2.gz PVEVSXXJHXHOJE-UHFFFAOYSA-N -1 1 317.349 0.827 20 0 DCADMM COC(=O)[C@H](CO)[N-]S(=O)(=O)CCCc1ccccc1 ZINC000914327450 664772122 /nfs/dbraw/zinc/77/21/22/664772122.db2.gz LSUHRZKMMKNSBN-LBPRGKRZSA-N -1 1 301.364 0.073 20 0 DCADMM COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000918055443 665155661 /nfs/dbraw/zinc/15/56/61/665155661.db2.gz INNHEHNVKOGWJT-WDEREUQCSA-N -1 1 322.427 0.314 20 0 DCADMM C[C@@]1(C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F)CCCO1 ZINC000869432163 667656976 /nfs/dbraw/zinc/65/69/76/667656976.db2.gz MIWZJISVUYJJRA-NSHDSACASA-N -1 1 311.256 0.736 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)C3(C)CCCC3)CC2)nc1=O ZINC000981708847 661202544 /nfs/dbraw/zinc/20/25/44/661202544.db2.gz MNPSSJNAFJSMHW-UHFFFAOYSA-N -1 1 321.425 0.723 20 0 DCADMM C[C@H]1C[C@@H]1CC(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000981881897 661241259 /nfs/dbraw/zinc/24/12/59/661241259.db2.gz 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ZINC001020495655 657802061 /nfs/dbraw/zinc/80/20/61/657802061.db2.gz XXBBTCKKGAZYMD-XYPYZODXSA-N -1 1 317.349 0.838 20 0 DCADMM Cc1cscc1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001038143200 657802809 /nfs/dbraw/zinc/80/28/09/657802809.db2.gz FQTUMCHPAMRWEC-SNVBAGLBSA-N -1 1 321.406 0.483 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]3[C@H](CCCN3C(=O)C3CC3)C2)nc1=O ZINC001021489763 657897047 /nfs/dbraw/zinc/89/70/47/657897047.db2.gz JGOSIEOJYROETG-OLZOCXBDSA-N -1 1 319.409 0.331 20 0 DCADMM COc1cc[n-]c(=NNC(=O)NCc2cccnc2OC)n1 ZINC000045965984 657955629 /nfs/dbraw/zinc/95/56/29/657955629.db2.gz CGVSHBSPVWCSID-UHFFFAOYSA-N -1 1 304.310 0.715 20 0 DCADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(CC(=O)NC2CC2)C1 ZINC000969546871 657962533 /nfs/dbraw/zinc/96/25/33/657962533.db2.gz UUNKLNZQOFLVKM-JTQLQIEISA-N -1 1 318.377 0.116 20 0 DCADMM O=C(c1ccncc1F)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998799342 665532347 /nfs/dbraw/zinc/53/23/47/665532347.db2.gz PTWAEBIQDPJRBP-SECBINFHSA-N -1 1 320.328 0.439 20 0 DCADMM 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CCOCCC(=O)NCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001745497450 1158028258 /nfs/dbraw/zinc/02/82/58/1158028258.db2.gz DDPJKULGLRACLA-UHFFFAOYSA-N -1 1 321.377 0.935 20 0 DCADMM CN(CCCNC(=O)Cn1cccn1)C(=O)c1ncccc1[O-] ZINC001687384691 1158031533 /nfs/dbraw/zinc/03/15/33/1158031533.db2.gz RKDPEGSWFXWRQZ-UHFFFAOYSA-N -1 1 317.349 0.262 20 0 DCADMM C[C@H](CN(C)C)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000168647135 1158474991 /nfs/dbraw/zinc/47/49/91/1158474991.db2.gz WNOZUYYMFUTDRK-MRVPVSSYSA-N -1 1 302.352 0.319 20 0 DCADMM CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)c3ccncc3[O-])[C@@H]2C1 ZINC001272765497 1158618728 /nfs/dbraw/zinc/61/87/28/1158618728.db2.gz IPKAEBOWTFXWAK-WCQYABFASA-N -1 1 318.377 0.022 20 0 DCADMM CO[C@@H](C(=O)NCCCN(C)C(=O)c1ncccc1[O-])C1CC1 ZINC001687451929 1158634814 /nfs/dbraw/zinc/63/48/14/1158634814.db2.gz BUCAKANVVRNORE-CQSZACIVSA-N -1 1 321.377 0.791 20 0 DCADMM O=C(C[C@@H]1CCCCO1)NCCNC(=O)c1ncccc1[O-] ZINC001720058498 1158742669 /nfs/dbraw/zinc/74/26/69/1158742669.db2.gz BKEFBFUXOKOGBU-NSHDSACASA-N -1 1 307.350 0.592 20 0 DCADMM CCOc1nc(C(=O)NCCNC(=O)c2ncccc2[O-])co1 ZINC001720070332 1158796873 /nfs/dbraw/zinc/79/68/73/1158796873.db2.gz FHZGSYAWDKDLKT-UHFFFAOYSA-N -1 1 320.305 0.334 20 0 DCADMM Cc1n[nH]cc1C(=O)NCCCN(Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001691741766 1159023718 /nfs/dbraw/zinc/02/37/18/1159023718.db2.gz BZEYMCVAMDGTLP-UHFFFAOYSA-N -1 1 321.385 0.572 20 0 DCADMM CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001447321624 1159617238 /nfs/dbraw/zinc/61/72/38/1159617238.db2.gz OESKAPOYKAYVFB-GFCCVEGCSA-N -1 1 324.429 0.323 20 0 DCADMM Cc1ccc(NC(=O)CNC(=O)c2ncccc2[O-])c(=O)[nH]1 ZINC001447457943 1159645895 /nfs/dbraw/zinc/64/58/95/1159645895.db2.gz DVAYTELGLCNIEY-UHFFFAOYSA-N -1 1 302.290 0.565 20 0 DCADMM O=C(C=Cc1ccncn1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001448000483 1159701855 /nfs/dbraw/zinc/70/18/55/1159701855.db2.gz DIIJZKMRJOXFJC-YOLVWIGZSA-N -1 1 303.351 0.320 20 0 DCADMM CN1C(=S)N=NC1CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001565662243 1159889546 /nfs/dbraw/zinc/88/95/46/1159889546.db2.gz ZNFDERHIOLCKBZ-UHFFFAOYSA-N -1 1 320.378 0.449 20 0 DCADMM C[C@H]1C[C@@H](C(=O)NCCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)CO1 ZINC001566590280 1160082684 /nfs/dbraw/zinc/08/26/84/1160082684.db2.gz MWFRBBPJESSRSX-WDEREUQCSA-N -1 1 323.397 0.406 20 0 DCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1 ZINC001566777667 1160149953 /nfs/dbraw/zinc/14/99/53/1160149953.db2.gz JJOYMJLKVNEPSF-SFGNSQDASA-N -1 1 324.358 0.593 20 0 DCADMM CCN(CCOCCO)C(=O)c1cnc(SC)[n-]c1=O ZINC001567991777 1160558987 /nfs/dbraw/zinc/55/89/87/1160558987.db2.gz LERREBZWJPWMBY-UHFFFAOYSA-N -1 1 301.368 0.375 20 0 DCADMM Cc1oc(C=O)cc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001568081600 1160575021 /nfs/dbraw/zinc/57/50/21/1160575021.db2.gz KPXRLMARULQXNQ-UHFFFAOYSA-N -1 1 305.294 0.037 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 ZINC001568347942 1160632813 /nfs/dbraw/zinc/63/28/13/1160632813.db2.gz PPTZEONGDUYSLQ-INIZCTEOSA-N -1 1 302.330 0.865 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1occ2c1CCC2 ZINC001568762405 1160765059 /nfs/dbraw/zinc/76/50/59/1160765059.db2.gz QIFGCDFMXSPJGF-UHFFFAOYSA-N -1 1 319.365 0.844 20 0 DCADMM C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)/C=C/c1ccc[nH]1 ZINC001569114055 1160947499 /nfs/dbraw/zinc/94/74/99/1160947499.db2.gz AYLXSUDCRMWECQ-MLRMMBSGSA-N -1 1 318.381 0.086 20 0 DCADMM CC(C)C[C@H](CNC(=O)CN(C)[C@@H]1CCC[C@H]1O)NC(=O)[O-] ZINC001573501788 1163452863 /nfs/dbraw/zinc/45/28/63/1163452863.db2.gz IWLDLXVMDOBHGX-JHJVBQTASA-N -1 1 315.414 0.630 20 0 DCADMM CCN1CCN(CC(C)(C)NC(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001573778091 1163550700 /nfs/dbraw/zinc/55/07/00/1163550700.db2.gz OTANTFOFARBRQP-QWHCGFSZSA-N -1 1 311.426 0.630 20 0 DCADMM CC[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)CN2C)C[C@]1(F)C(=O)[O-] ZINC001573816801 1163559758 /nfs/dbraw/zinc/55/97/58/1163559758.db2.gz DKMWKBLVDXCGJX-TXFQPVFDSA-N -1 1 302.346 0.103 20 0 DCADMM CCc1ncc(CN2CCC(C(=O)NCC(=O)[O-])CC2)cn1 ZINC001573837005 1163563562 /nfs/dbraw/zinc/56/35/62/1163563562.db2.gz AQQTZBMLQSGMHM-UHFFFAOYSA-N -1 1 306.366 0.452 20 0 DCADMM CN(C)[C@@H](CNC(=O)[C@@H](O)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001573859403 1163571724 /nfs/dbraw/zinc/57/17/24/1163571724.db2.gz YXMYKQKCRZHGND-RYUDHWBXSA-N -1 1 314.769 0.895 20 0 DCADMM CC(C)(F)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573906316 1163581161 /nfs/dbraw/zinc/58/11/61/1163581161.db2.gz LAIQXLJPRBQCSY-MRVPVSSYSA-N -1 1 320.332 0.418 20 0 DCADMM CC(C)(F)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573906316 1163581164 /nfs/dbraw/zinc/58/11/64/1163581164.db2.gz LAIQXLJPRBQCSY-MRVPVSSYSA-N -1 1 320.332 0.418 20 0 DCADMM COC(=O)N[C@@H](C)C(=O)N1CC[C@H](c2[nH]ncc2C(=O)[O-])C1 ZINC001573926442 1163590295 /nfs/dbraw/zinc/59/02/95/1163590295.db2.gz YKSLLZLAYLPBLB-YUMQZZPRSA-N -1 1 310.310 0.168 20 0 DCADMM CSc1n[nH]c(NC(=O)CC2(C(=O)[O-])CCOCC2)n1 ZINC001574098315 1163637268 /nfs/dbraw/zinc/63/72/68/1163637268.db2.gz GFWZMPKDCMIOMH-UHFFFAOYSA-N -1 1 300.340 0.737 20 0 DCADMM Cc1[nH]nc(S(=O)(=O)N[C@H]2CCN(C)[C@H](C)C2)c1C(=O)[O-] ZINC001574183160 1163655616 /nfs/dbraw/zinc/65/56/16/1163655616.db2.gz YTIPZVSPQFLQRM-APPZFPTMSA-N -1 1 316.383 0.177 20 0 DCADMM Cc1nc(NCc2nnc([C@H]3CCOC3)[nH]2)cc(C(=O)[O-])n1 ZINC001574193133 1163657572 /nfs/dbraw/zinc/65/75/72/1163657572.db2.gz PRLKXGBXQAMWKI-QMMMGPOBSA-N -1 1 304.310 0.717 20 0 DCADMM Cc1nc(NCc2n[nH]c([C@H]3CCOC3)n2)cc(C(=O)[O-])n1 ZINC001574193133 1163657575 /nfs/dbraw/zinc/65/75/75/1163657575.db2.gz PRLKXGBXQAMWKI-QMMMGPOBSA-N -1 1 304.310 0.717 20 0 DCADMM Cc1nccc(C(=O)N2CC[C@H](c3[nH]ncc3C(=O)[O-])C2)n1 ZINC001574192962 1163657726 /nfs/dbraw/zinc/65/77/26/1163657726.db2.gz XTMJWRBLEZSXCZ-VIFPVBQESA-N -1 1 301.306 0.836 20 0 DCADMM Cn1c(C(=O)N2CC[C@H](c3[nH]ncc3C(=O)[O-])C2)c[nH]c1=O ZINC001574210061 1163664430 /nfs/dbraw/zinc/66/44/30/1163664430.db2.gz WHHFBKYTWNGJCV-ZETCQYMHSA-N -1 1 305.294 0.177 20 0 DCADMM Cn1ccc(N2CCC[C@@H](N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)C2=O)n1 ZINC001574225027 1163669213 /nfs/dbraw/zinc/66/92/13/1163669213.db2.gz WDULQEXVYCTTNA-GFQSEFKGSA-N -1 1 318.377 0.568 20 0 DCADMM O=C(CCCc1nn[nH]n1)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001574293425 1163687872 /nfs/dbraw/zinc/68/78/72/1163687872.db2.gz IQHOAYJTUFZTNC-GFCCVEGCSA-N -1 1 317.349 0.582 20 0 DCADMM O=C([O-])c1cccc2nc(NC(=O)C[C@@H]3CCNC3=O)[nH]c21 ZINC001574293959 1163687988 /nfs/dbraw/zinc/68/79/88/1163687988.db2.gz RTCYNXOBHGCLKZ-ZETCQYMHSA-N -1 1 302.290 0.726 20 0 DCADMM O=C([O-])[C@@]1(CNC(=O)c2cncc3nc[nH]c32)CCCOC1 ZINC001574322947 1163696088 /nfs/dbraw/zinc/69/60/88/1163696088.db2.gz ZENQNMCSLMKKGH-CQSZACIVSA-N -1 1 304.306 0.569 20 0 DCADMM CC(C)c1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)n(C)n1 ZINC001574410229 1163715782 /nfs/dbraw/zinc/71/57/82/1163715782.db2.gz XPBWUCJDMRYTJJ-UHFFFAOYSA-N -1 1 315.341 0.709 20 0 DCADMM CC(C)c1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)n(C)n1 ZINC001574410229 1163715788 /nfs/dbraw/zinc/71/57/88/1163715788.db2.gz XPBWUCJDMRYTJJ-UHFFFAOYSA-N -1 1 315.341 0.709 20 0 DCADMM O=C([O-])c1n[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)n1 ZINC001574423688 1163720649 /nfs/dbraw/zinc/72/06/49/1163720649.db2.gz YMZDJWNSBBPFDV-LLVKDONJSA-N -1 1 321.381 0.916 20 0 DCADMM C[C@@H](CCNC(=O)CC1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574601384 1163735158 /nfs/dbraw/zinc/73/51/58/1163735158.db2.gz FWVZEPMSDGVPAE-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNC(=O)CC1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574601384 1163735163 /nfs/dbraw/zinc/73/51/63/1163735163.db2.gz FWVZEPMSDGVPAE-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574829997 1163762263 /nfs/dbraw/zinc/76/22/63/1163762263.db2.gz OKAAWZBLJXNRIT-QMMMGPOBSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574829997 1163762267 /nfs/dbraw/zinc/76/22/67/1163762267.db2.gz OKAAWZBLJXNRIT-QMMMGPOBSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@H](CNC(=O)CC1CC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574894299 1163789369 /nfs/dbraw/zinc/78/93/69/1163789369.db2.gz GJTLPOHPPSBHSD-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)CC1CC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574894299 1163789375 /nfs/dbraw/zinc/78/93/75/1163789375.db2.gz GJTLPOHPPSBHSD-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)CCCF)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574904885 1163793180 /nfs/dbraw/zinc/79/31/80/1163793180.db2.gz UPDVLENTCIIRNY-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@H](CNC(=O)CCCF)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574904885 1163793184 /nfs/dbraw/zinc/79/31/84/1163793184.db2.gz UPDVLENTCIIRNY-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM COc1ccnc(C(=O)NCCNC(=O)c2ncccc2[O-])c1 ZINC001575057557 1163872248 /nfs/dbraw/zinc/87/22/48/1163872248.db2.gz GJFMWIAFMXCTKO-UHFFFAOYSA-N -1 1 316.317 0.351 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccnn1C ZINC001575302578 1163966829 /nfs/dbraw/zinc/96/68/29/1163966829.db2.gz JRIIHSFDPDVULP-ZETCQYMHSA-N -1 1 316.329 0.216 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccnn1C ZINC001575302578 1163966834 /nfs/dbraw/zinc/96/68/34/1163966834.db2.gz JRIIHSFDPDVULP-ZETCQYMHSA-N -1 1 316.329 0.216 20 0 DCADMM C[C@@H](O)[C@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001575475637 1164026356 /nfs/dbraw/zinc/02/63/56/1164026356.db2.gz XJTZSVMMKXAKQK-LDYMZIIASA-N -1 1 321.312 0.228 20 0 DCADMM C[C@@H](O)[C@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001575475637 1164026362 /nfs/dbraw/zinc/02/63/62/1164026362.db2.gz XJTZSVMMKXAKQK-LDYMZIIASA-N -1 1 321.312 0.228 20 0 DCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CC1 ZINC001575939775 1164190459 /nfs/dbraw/zinc/19/04/59/1164190459.db2.gz SDCUARJDEDQITF-PSASIEDQSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CC1 ZINC001575939775 1164190462 /nfs/dbraw/zinc/19/04/62/1164190462.db2.gz SDCUARJDEDQITF-PSASIEDQSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576078673 1164234286 /nfs/dbraw/zinc/23/42/86/1164234286.db2.gz VABMEXKPEXOETP-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576078673 1164234290 /nfs/dbraw/zinc/23/42/90/1164234290.db2.gz VABMEXKPEXOETP-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N(C)[C@@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576411957 1164331953 /nfs/dbraw/zinc/33/19/53/1164331953.db2.gz POVOBLAUMJSKKO-VIFPVBQESA-N -1 1 318.385 0.888 20 0 DCADMM CCC(=O)N(C)[C@@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576411957 1164331961 /nfs/dbraw/zinc/33/19/61/1164331961.db2.gz POVOBLAUMJSKKO-VIFPVBQESA-N -1 1 318.385 0.888 20 0 DCADMM CCC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576414494 1164335145 /nfs/dbraw/zinc/33/51/45/1164335145.db2.gz BAZLVRJMCADVNV-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CCC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576414494 1164335154 /nfs/dbraw/zinc/33/51/54/1164335154.db2.gz BAZLVRJMCADVNV-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CCC(=O)N1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001576422239 1164338297 /nfs/dbraw/zinc/33/82/97/1164338297.db2.gz ZKOLFWQWJBXIGJ-UHFFFAOYSA-N -1 1 316.369 0.278 20 0 DCADMM CCC(=O)N1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)CC1 ZINC001576422239 1164338302 /nfs/dbraw/zinc/33/83/02/1164338302.db2.gz ZKOLFWQWJBXIGJ-UHFFFAOYSA-N -1 1 316.369 0.278 20 0 DCADMM CCC(=O)N[C@H](C)CN(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576438536 1164344236 /nfs/dbraw/zinc/34/42/36/1164344236.db2.gz SEDOWVUFQAITKJ-SECBINFHSA-N -1 1 318.385 0.570 20 0 DCADMM CCC(=O)N[C@H](C)CN(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576438536 1164344243 /nfs/dbraw/zinc/34/42/43/1164344243.db2.gz SEDOWVUFQAITKJ-SECBINFHSA-N -1 1 318.385 0.570 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576444502 1164346780 /nfs/dbraw/zinc/34/67/80/1164346780.db2.gz JASNYCWVJPVZGF-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576444502 1164346794 /nfs/dbraw/zinc/34/67/94/1164346794.db2.gz JASNYCWVJPVZGF-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576445444 1164347134 /nfs/dbraw/zinc/34/71/34/1164347134.db2.gz RIPIHTDAHJPXCS-NXEZZACHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576445444 1164347141 /nfs/dbraw/zinc/34/71/41/1164347141.db2.gz RIPIHTDAHJPXCS-NXEZZACHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001576444896 1164348015 /nfs/dbraw/zinc/34/80/15/1164348015.db2.gz MRVXRGFAFPDCAN-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001576472575 1164355748 /nfs/dbraw/zinc/35/57/48/1164355748.db2.gz YZKHFGBZFLWITQ-NSHDSACASA-N -1 1 316.369 0.682 20 0 DCADMM CCC(=O)NC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001576472575 1164355756 /nfs/dbraw/zinc/35/57/56/1164355756.db2.gz YZKHFGBZFLWITQ-NSHDSACASA-N -1 1 316.369 0.682 20 0 DCADMM CCC(=O)NC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001576472574 1164356180 /nfs/dbraw/zinc/35/61/80/1164356180.db2.gz YZKHFGBZFLWITQ-LLVKDONJSA-N -1 1 316.369 0.682 20 0 DCADMM CCC(=O)NC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001576472574 1164356189 /nfs/dbraw/zinc/35/61/89/1164356189.db2.gz YZKHFGBZFLWITQ-LLVKDONJSA-N -1 1 316.369 0.682 20 0 DCADMM CC/C(C)=C/C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576558778 1164389720 /nfs/dbraw/zinc/38/97/20/1164389720.db2.gz YWXCGLWCWJMZRR-MDZDMXLPSA-N -1 1 316.369 0.305 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001576561775 1164390173 /nfs/dbraw/zinc/39/01/73/1164390173.db2.gz HZBSYBZIZRSXLZ-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001576561775 1164390181 /nfs/dbraw/zinc/39/01/81/1164390181.db2.gz HZBSYBZIZRSXLZ-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001576576333 1164399726 /nfs/dbraw/zinc/39/97/26/1164399726.db2.gz JMVZFMNOIXDNFZ-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001576576333 1164399736 /nfs/dbraw/zinc/39/97/36/1164399736.db2.gz JMVZFMNOIXDNFZ-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576582595 1164404953 /nfs/dbraw/zinc/40/49/53/1164404953.db2.gz TVDMEOQIRJWCDM-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576582595 1164404956 /nfs/dbraw/zinc/40/49/56/1164404956.db2.gz TVDMEOQIRJWCDM-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](C)[C@@H](O)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001576609733 1164412770 /nfs/dbraw/zinc/41/27/70/1164412770.db2.gz DQJBTHXNJBNLLS-XCBNKYQSSA-N -1 1 320.353 0.413 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](CC)Nc1nccnc1-c1nnn[n-]1 ZINC001576777670 1164462117 /nfs/dbraw/zinc/46/21/17/1164462117.db2.gz NYTOIAYCVCYQCI-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](CC)Nc1nccnc1-c1nn[n-]n1 ZINC001576777670 1164462121 /nfs/dbraw/zinc/46/21/21/1164462121.db2.gz NYTOIAYCVCYQCI-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576923447 1164534491 /nfs/dbraw/zinc/53/44/91/1164534491.db2.gz CLIXLQDMABFYQP-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576923447 1164534498 /nfs/dbraw/zinc/53/44/98/1164534498.db2.gz CLIXLQDMABFYQP-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576951528 1164552333 /nfs/dbraw/zinc/55/23/33/1164552333.db2.gz IAQDGDWJKGOVKJ-RKDXNWHRSA-N -1 1 322.348 0.133 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576954905 1164554430 /nfs/dbraw/zinc/55/44/30/1164554430.db2.gz WDOJGZGWDOFLHG-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576954905 1164554440 /nfs/dbraw/zinc/55/44/40/1164554440.db2.gz WDOJGZGWDOFLHG-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576965613 1164560596 /nfs/dbraw/zinc/56/05/96/1164560596.db2.gz KKVLDZZTQIHVSB-BDAKNGLRSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576965613 1164560600 /nfs/dbraw/zinc/56/06/00/1164560600.db2.gz KKVLDZZTQIHVSB-BDAKNGLRSA-N -1 1 320.332 0.100 20 0 DCADMM C[S@](=O)(=NS(=O)(=O)[N-]Cc1c[nH]nn1)c1ccccc1 ZINC001577108562 1164605276 /nfs/dbraw/zinc/60/52/76/1164605276.db2.gz PDIIVHJXDUWHPO-LJQANCHMSA-N -1 1 315.380 0.296 20 0 DCADMM CC/C=C(\C)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001577182088 1164625795 /nfs/dbraw/zinc/62/57/95/1164625795.db2.gz MHLMHDZRDMFTJC-NAZIUFLLSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C=C(\C)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001577182088 1164625800 /nfs/dbraw/zinc/62/58/00/1164625800.db2.gz MHLMHDZRDMFTJC-NAZIUFLLSA-N -1 1 316.369 0.930 20 0 DCADMM CCCC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001577187885 1164627568 /nfs/dbraw/zinc/62/75/68/1164627568.db2.gz NXSUCAOSRRQQMM-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001577187885 1164627571 /nfs/dbraw/zinc/62/75/71/1164627571.db2.gz NXSUCAOSRRQQMM-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577190205 1164629215 /nfs/dbraw/zinc/62/92/15/1164629215.db2.gz DZIJEYGBIFXSBJ-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577190205 1164629228 /nfs/dbraw/zinc/62/92/28/1164629228.db2.gz DZIJEYGBIFXSBJ-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577198785 1164631658 /nfs/dbraw/zinc/63/16/58/1164631658.db2.gz ZRTQZZXOMMDMHC-JTQLQIEISA-N -1 1 316.369 0.282 20 0 DCADMM CCCC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001577202290 1164632844 /nfs/dbraw/zinc/63/28/44/1164632844.db2.gz DFDFCMULMMWGJL-JTQLQIEISA-N -1 1 316.369 0.185 20 0 DCADMM CCCC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001577210783 1164636211 /nfs/dbraw/zinc/63/62/11/1164636211.db2.gz MFZNIAVRBBIVQL-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001577210783 1164636216 /nfs/dbraw/zinc/63/62/16/1164636216.db2.gz MFZNIAVRBBIVQL-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001577215778 1164637658 /nfs/dbraw/zinc/63/76/58/1164637658.db2.gz GUFQOHAGSIUHMY-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577215671 1164638033 /nfs/dbraw/zinc/63/80/33/1164638033.db2.gz GAMODSHQHRALPN-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577216833 1164638373 /nfs/dbraw/zinc/63/83/73/1164638373.db2.gz ZGILTCWKELIKGH-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577216833 1164638376 /nfs/dbraw/zinc/63/83/76/1164638376.db2.gz ZGILTCWKELIKGH-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001577221564 1164642498 /nfs/dbraw/zinc/64/24/98/1164642498.db2.gz XDXKYEDFCRRZSV-MWLCHTKSSA-N -1 1 316.369 0.398 20 0 DCADMM CCCC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001577221564 1164642502 /nfs/dbraw/zinc/64/25/02/1164642502.db2.gz XDXKYEDFCRRZSV-MWLCHTKSSA-N -1 1 316.369 0.398 20 0 DCADMM CCC[C@H](C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577270021 1164655416 /nfs/dbraw/zinc/65/54/16/1164655416.db2.gz PUHDTSKBDSNHRO-VHSXEESVSA-N -1 1 318.385 0.431 20 0 DCADMM CCCCC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577396335 1164684239 /nfs/dbraw/zinc/68/42/39/1164684239.db2.gz NYVDQXFAOGCICA-SNVBAGLBSA-N -1 1 318.385 0.528 20 0 DCADMM CCCCC(=O)N[C@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001577408903 1164686043 /nfs/dbraw/zinc/68/60/43/1164686043.db2.gz ULQWGBKRVAOJEM-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001577408903 1164686045 /nfs/dbraw/zinc/68/60/45/1164686045.db2.gz ULQWGBKRVAOJEM-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCN(CCNC(=O)C1CC1)c1snc(C)c1-c1nn[n-]n1 ZINC001577938116 1164852938 /nfs/dbraw/zinc/85/29/38/1164852938.db2.gz VJRBRRZRSJCRIP-UHFFFAOYSA-N -1 1 321.410 0.984 20 0 DCADMM O=C(c1ncccc1[O-])N1CCCN(Cc2cn[nH]n2)CC1 ZINC001578043831 1164905753 /nfs/dbraw/zinc/90/57/53/1164905753.db2.gz FRSFWPGDBBJSPZ-UHFFFAOYSA-N -1 1 302.338 0.253 20 0 DCADMM O=C(c1ncccc1[O-])N1CCCN(Cc2c[nH]nn2)CC1 ZINC001578043831 1164905762 /nfs/dbraw/zinc/90/57/62/1164905762.db2.gz FRSFWPGDBBJSPZ-UHFFFAOYSA-N -1 1 302.338 0.253 20 0 DCADMM O=S(=O)(N[C@H](Cc1c[nH]nn1)c1ccccc1)c1ncc[n-]1 ZINC001578047056 1164908341 /nfs/dbraw/zinc/90/83/41/1164908341.db2.gz DLCYUWORDPNPPM-GFCCVEGCSA-N -1 1 318.362 0.790 20 0 DCADMM CCOC(=O)CCC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001578245362 1164962731 /nfs/dbraw/zinc/96/27/31/1164962731.db2.gz OCOLNCJHIPKJJC-UHFFFAOYSA-N -1 1 320.309 0.552 20 0 DCADMM CCOC(=O)[C@@H]1[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]21 ZINC001578250721 1164963137 /nfs/dbraw/zinc/96/31/37/1164963137.db2.gz FBODYGSOXWKBQP-VDDIYKPWSA-N -1 1 315.337 0.292 20 0 DCADMM CCOC(=O)[C@@H]1[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]21 ZINC001578250721 1164963139 /nfs/dbraw/zinc/96/31/39/1164963139.db2.gz FBODYGSOXWKBQP-VDDIYKPWSA-N -1 1 315.337 0.292 20 0 DCADMM CN[C@H](C(=O)[N-]OCC(N)=O)c1cccc(Cl)c1Cl ZINC001578569778 1165064246 /nfs/dbraw/zinc/06/42/46/1165064246.db2.gz ROXGAMFVXRZELM-JTQLQIEISA-N -1 1 306.149 0.787 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(C)=O)C2)n1 ZINC001578590935 1165067345 /nfs/dbraw/zinc/06/73/45/1165067345.db2.gz LKZFVRPXNPEKRD-JTQLQIEISA-N -1 1 316.369 0.324 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(C)=O)C2)n1 ZINC001578590935 1165067348 /nfs/dbraw/zinc/06/73/48/1165067348.db2.gz LKZFVRPXNPEKRD-JTQLQIEISA-N -1 1 316.369 0.324 20 0 DCADMM CCc1nc(NCc2cccc(C(N)=O)c2)cc(-c2nnn[n-]2)n1 ZINC001578669353 1165083701 /nfs/dbraw/zinc/08/37/01/1165083701.db2.gz KBZRPUTWRUXDKC-UHFFFAOYSA-N -1 1 324.348 0.930 20 0 DCADMM CCc1nc(NCc2cccc(C(N)=O)c2)cc(-c2nn[n-]n2)n1 ZINC001578669353 1165083705 /nfs/dbraw/zinc/08/37/05/1165083705.db2.gz KBZRPUTWRUXDKC-UHFFFAOYSA-N -1 1 324.348 0.930 20 0 DCADMM CCc1nc(NC[C@H]2C[C@H](NC(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001578669543 1165084637 /nfs/dbraw/zinc/08/46/37/1165084637.db2.gz QFCDBFHHKZNUQL-MGCOHNPYSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(NC[C@H]2C[C@H](NC(C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001578669543 1165084639 /nfs/dbraw/zinc/08/46/39/1165084639.db2.gz QFCDBFHHKZNUQL-MGCOHNPYSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nnc(N(C)OC)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001578704070 1165087679 /nfs/dbraw/zinc/08/76/79/1165087679.db2.gz WJZIGLNSTLNTMY-UHFFFAOYSA-N -1 1 304.314 0.660 20 0 DCADMM CCc1nnc(N(C)OC)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001578704070 1165087683 /nfs/dbraw/zinc/08/76/83/1165087683.db2.gz WJZIGLNSTLNTMY-UHFFFAOYSA-N -1 1 304.314 0.660 20 0 DCADMM CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCC[C@H]1O ZINC001578879766 1165148625 /nfs/dbraw/zinc/14/86/25/1165148625.db2.gz QNABMMBSJAFNOS-CHWSQXEVSA-N -1 1 316.365 0.566 20 0 DCADMM CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCC[C@H]1O ZINC001578879766 1165148627 /nfs/dbraw/zinc/14/86/27/1165148627.db2.gz QNABMMBSJAFNOS-CHWSQXEVSA-N -1 1 316.365 0.566 20 0 DCADMM CN(C(=O)NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCC[C@H]1O ZINC001578888054 1165151214 /nfs/dbraw/zinc/15/12/14/1165151214.db2.gz PSROREJKKVRZBH-RKDXNWHRSA-N -1 1 323.382 0.378 20 0 DCADMM CN(C(=O)NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCC[C@H]1O ZINC001578888054 1165151218 /nfs/dbraw/zinc/15/12/18/1165151218.db2.gz PSROREJKKVRZBH-RKDXNWHRSA-N -1 1 323.382 0.378 20 0 DCADMM CN(CC(F)(F)F)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001579020796 1165189474 /nfs/dbraw/zinc/18/94/74/1165189474.db2.gz FGTRZPDNMPQZSZ-UHFFFAOYSA-N -1 1 315.259 0.965 20 0 DCADMM CN(CC(F)(F)F)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001579020796 1165189477 /nfs/dbraw/zinc/18/94/77/1165189477.db2.gz FGTRZPDNMPQZSZ-UHFFFAOYSA-N -1 1 315.259 0.965 20 0 DCADMM CN(C[C@H](O)c1cccnc1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579064050 1165197408 /nfs/dbraw/zinc/19/74/08/1165197408.db2.gz TTWWAUPQIXBWDU-NSHDSACASA-N -1 1 314.305 0.660 20 0 DCADMM CN(C[C@H](O)c1cccnc1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579064050 1165197412 /nfs/dbraw/zinc/19/74/12/1165197412.db2.gz TTWWAUPQIXBWDU-NSHDSACASA-N -1 1 314.305 0.660 20 0 DCADMM CN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)CCC1CC1 ZINC001579215199 1165241383 /nfs/dbraw/zinc/24/13/83/1165241383.db2.gz GWTRPRNIACODEU-UHFFFAOYSA-N -1 1 316.369 0.139 20 0 DCADMM COc1cnc(C(C)(C)NC(=O)Cc2ccc(N)cn2)[n-]c1=O ZINC001579322102 1165270184 /nfs/dbraw/zinc/27/01/84/1165270184.db2.gz MIZTVIAFUHKCFV-UHFFFAOYSA-N -1 1 317.349 0.762 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H]1C ZINC001579470203 1165321244 /nfs/dbraw/zinc/32/12/44/1165321244.db2.gz UUXWPWHMRPRQKG-HTQZYQBOSA-N -1 1 305.294 0.341 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H]1C ZINC001579470203 1165321250 /nfs/dbraw/zinc/32/12/50/1165321250.db2.gz UUXWPWHMRPRQKG-HTQZYQBOSA-N -1 1 305.294 0.341 20 0 DCADMM COC(=O)c1ccccc1OCCn1cc(-c2nn[n-]n2)nn1 ZINC001579488635 1165331316 /nfs/dbraw/zinc/33/13/16/1165331316.db2.gz ORKHUFIOQNIDDK-UHFFFAOYSA-N -1 1 315.293 0.324 20 0 DCADMM COC[C@]1(C)CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC001579739478 1165386209 /nfs/dbraw/zinc/38/62/09/1165386209.db2.gz BOFZIKVIMIGELT-CQSZACIVSA-N -1 1 320.353 0.591 20 0 DCADMM COC[C@]1(C)CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC001579739478 1165386216 /nfs/dbraw/zinc/38/62/16/1165386216.db2.gz BOFZIKVIMIGELT-CQSZACIVSA-N -1 1 320.353 0.591 20 0 DCADMM COc1ccc(C)cc1Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001579991411 1165463903 /nfs/dbraw/zinc/46/39/03/1165463903.db2.gz YFTPJEOFMBTRSC-UHFFFAOYSA-N -1 1 314.305 0.494 20 0 DCADMM COc1cnc(N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001580106683 1165505496 /nfs/dbraw/zinc/50/54/96/1165505496.db2.gz OMFZSOQSULLQGH-UHFFFAOYSA-N -1 1 301.266 0.535 20 0 DCADMM COc1ncc(NC(=O)N[C@H](C)C[C@H](C)O)cc1-c1nn[n-]n1 ZINC001580135834 1165514308 /nfs/dbraw/zinc/51/43/08/1165514308.db2.gz CCPORBVZARYIOF-SFYZADRCSA-N -1 1 321.341 0.551 20 0 DCADMM COc1ncc(NC(=O)NCc2ncc[nH]2)cc1-c1nn[n-]n1 ZINC001580138765 1165516556 /nfs/dbraw/zinc/51/65/56/1165516556.db2.gz KNZHCVOSJIRMII-UHFFFAOYSA-N -1 1 315.297 0.315 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CC12CC2 ZINC001580413292 1165595346 /nfs/dbraw/zinc/59/53/46/1165595346.db2.gz FDCMQWAUZJJHAM-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CC12CC2 ZINC001580413292 1165595354 /nfs/dbraw/zinc/59/53/54/1165595354.db2.gz FDCMQWAUZJJHAM-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C)CCC1 ZINC001580427657 1165601470 /nfs/dbraw/zinc/60/14/70/1165601470.db2.gz RWTNUDIOFTVEMR-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C)CCC1 ZINC001580427657 1165601473 /nfs/dbraw/zinc/60/14/73/1165601473.db2.gz RWTNUDIOFTVEMR-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@@H](CO)[C@H]1C ZINC001580597517 1165649260 /nfs/dbraw/zinc/64/92/60/1165649260.db2.gz ICJPZWNSUZVVDL-BDAKNGLRSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCCC[C@H]1CO ZINC001580596580 1165649682 /nfs/dbraw/zinc/64/96/82/1165649682.db2.gz BWKZMDYONLGUOC-VIFPVBQESA-N -1 1 318.337 0.263 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC(C)(C)C(C)(C)O ZINC001580600925 1165651023 /nfs/dbraw/zinc/65/10/23/1165651023.db2.gz RGASZNLYVQCWDO-UHFFFAOYSA-N -1 1 320.353 0.555 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CCOC1(C)C ZINC001580600664 1165651689 /nfs/dbraw/zinc/65/16/89/1165651689.db2.gz GLVZWMZACGGYHT-VIFPVBQESA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)[C@@H]1CCOC1 ZINC001580601298 1165651891 /nfs/dbraw/zinc/65/18/91/1165651891.db2.gz UXSLJMPUOJOGFT-RKDXNWHRSA-N -1 1 318.337 0.431 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H](C)NC(=O)C2CC2)n1 ZINC001580686005 1165686913 /nfs/dbraw/zinc/68/69/13/1165686913.db2.gz ZOODXWMRLXNLPD-IUCAKERBSA-N -1 1 316.369 0.680 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H](C)NC(=O)C2CC2)n1 ZINC001580686005 1165686917 /nfs/dbraw/zinc/68/69/17/1165686917.db2.gz ZOODXWMRLXNLPD-IUCAKERBSA-N -1 1 316.369 0.680 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCNC(=O)[C@H]2C[C@@H]2C)n1 ZINC001580742187 1165707838 /nfs/dbraw/zinc/70/78/38/1165707838.db2.gz XOQULONVTDPJAY-WPRPVWTQSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCNC(=O)[C@H]2C[C@@H]2C)n1 ZINC001580742187 1165707845 /nfs/dbraw/zinc/70/78/45/1165707845.db2.gz XOQULONVTDPJAY-WPRPVWTQSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cccc(CONC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001581240888 1165803083 /nfs/dbraw/zinc/80/30/83/1165803083.db2.gz QLKDCLKFYFNHDH-UHFFFAOYSA-N -1 1 311.305 0.827 20 0 DCADMM Cc1cccc(CONC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001581240888 1165803087 /nfs/dbraw/zinc/80/30/87/1165803087.db2.gz QLKDCLKFYFNHDH-UHFFFAOYSA-N -1 1 311.305 0.827 20 0 DCADMM Cc1nc(NCC(=O)NCc2ccco2)cc(-c2nnn[n-]2)n1 ZINC001581506213 1165836178 /nfs/dbraw/zinc/83/61/78/1165836178.db2.gz OSHBFBXDYICUHY-UHFFFAOYSA-N -1 1 314.309 0.286 20 0 DCADMM Cc1nc(NCC(=O)NCc2ccco2)cc(-c2nn[n-]n2)n1 ZINC001581506213 1165836185 /nfs/dbraw/zinc/83/61/85/1165836185.db2.gz OSHBFBXDYICUHY-UHFFFAOYSA-N -1 1 314.309 0.286 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnn3ccncc23)c1-c1nnn[n-]1 ZINC001581595114 1165847211 /nfs/dbraw/zinc/84/72/11/1165847211.db2.gz PBBVPFQCABFALH-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnn3ccncc23)c1-c1nn[n-]n1 ZINC001581595114 1165847220 /nfs/dbraw/zinc/84/72/20/1165847220.db2.gz PBBVPFQCABFALH-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1nsc(N(C)[C@@H](C)CNC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001581658561 1165856157 /nfs/dbraw/zinc/85/61/57/1165856157.db2.gz JONUNOSPBGLWLO-ZETCQYMHSA-N -1 1 321.410 0.983 20 0 DCADMM Cc1nsc(NC(=O)NCCc2cn[nH]c2)c1-c1nnn[n-]1 ZINC001581684867 1165857774 /nfs/dbraw/zinc/85/77/74/1165857774.db2.gz DIPBDWDZRXPKIA-UHFFFAOYSA-N -1 1 319.354 0.719 20 0 DCADMM Cc1nsc(NC(=O)NCCc2cn[nH]c2)c1-c1nn[n-]n1 ZINC001581684867 1165857779 /nfs/dbraw/zinc/85/77/79/1165857779.db2.gz DIPBDWDZRXPKIA-UHFFFAOYSA-N -1 1 319.354 0.719 20 0 DCADMM Cc1nsc(NC(=O)N2C[C@H]3C[C@@]3(CO)C2)c1-c1nnn[n-]1 ZINC001581685015 1165858548 /nfs/dbraw/zinc/85/85/48/1165858548.db2.gz FDOZFJLUPZADRD-KRTXAFLBSA-N -1 1 321.366 0.478 20 0 DCADMM Cc1nsc(NC(=O)N2C[C@H]3C[C@@]3(CO)C2)c1-c1nn[n-]n1 ZINC001581685015 1165858550 /nfs/dbraw/zinc/85/85/50/1165858550.db2.gz FDOZFJLUPZADRD-KRTXAFLBSA-N -1 1 321.366 0.478 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H]3COC[C@@H]32)c1-c1nnn[n-]1 ZINC001581739603 1165865440 /nfs/dbraw/zinc/86/54/40/1165865440.db2.gz URSOVFQPPZBLAP-KOLCDFICSA-N -1 1 318.337 0.343 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H]3COC[C@@H]32)c1-c1nn[n-]n1 ZINC001581739603 1165865443 /nfs/dbraw/zinc/86/54/43/1165865443.db2.gz URSOVFQPPZBLAP-KOLCDFICSA-N -1 1 318.337 0.343 20 0 DCADMM Cn1cncc1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001581810697 1165881494 /nfs/dbraw/zinc/88/14/94/1165881494.db2.gz PALUTXOCIDSHRP-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1cncc1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001581810697 1165881500 /nfs/dbraw/zinc/88/15/00/1165881500.db2.gz PALUTXOCIDSHRP-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1nc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1Cl ZINC001581821921 1165883162 /nfs/dbraw/zinc/88/31/62/1165883162.db2.gz WDCQYMLPUILEHJ-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1nc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1Cl ZINC001581821921 1165883168 /nfs/dbraw/zinc/88/31/68/1165883168.db2.gz WDCQYMLPUILEHJ-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1ncc2c1CCCN(C(=O)c1cccc(-c3nnn[n-]3)n1)C2 ZINC001581833823 1165885093 /nfs/dbraw/zinc/88/50/93/1165885093.db2.gz GUCALUUBUYVESB-UHFFFAOYSA-N -1 1 324.348 0.584 20 0 DCADMM Cn1ncc2c1CCCN(C(=O)c1cccc(-c3nn[n-]n3)n1)C2 ZINC001581833823 1165885102 /nfs/dbraw/zinc/88/51/02/1165885102.db2.gz GUCALUUBUYVESB-UHFFFAOYSA-N -1 1 324.348 0.584 20 0 DCADMM FC(F)(F)CNC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001581849354 1165888238 /nfs/dbraw/zinc/88/82/38/1165888238.db2.gz NUTLYBJDVJLLCR-UHFFFAOYSA-N -1 1 314.275 0.752 20 0 DCADMM FC(F)(F)CNC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001581849354 1165888243 /nfs/dbraw/zinc/88/82/43/1165888243.db2.gz NUTLYBJDVJLLCR-UHFFFAOYSA-N -1 1 314.275 0.752 20 0 DCADMM O=C(CC1CC1)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001581972615 1165927805 /nfs/dbraw/zinc/92/78/05/1165927805.db2.gz UIGCMKMZOZDNSQ-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(CC1CC1)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001581972615 1165927810 /nfs/dbraw/zinc/92/78/10/1165927810.db2.gz UIGCMKMZOZDNSQ-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(Cc1ccc(F)cn1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001582142134 1165967037 /nfs/dbraw/zinc/96/70/37/1165967037.db2.gz DXGZEKUBDKCZSR-UHFFFAOYSA-N -1 1 319.325 0.716 20 0 DCADMM O=C(Cc1ccc(F)cn1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001582142134 1165967044 /nfs/dbraw/zinc/96/70/44/1165967044.db2.gz DXGZEKUBDKCZSR-UHFFFAOYSA-N -1 1 319.325 0.716 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001582138346 1165967618 /nfs/dbraw/zinc/96/76/18/1165967618.db2.gz AHCCXWQUFGDAEQ-RAIGVLPGSA-N -1 1 314.349 0.488 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001582138346 1165967624 /nfs/dbraw/zinc/96/76/24/1165967624.db2.gz AHCCXWQUFGDAEQ-RAIGVLPGSA-N -1 1 314.349 0.488 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCc2c[nH]nc2C1 ZINC001582554496 1166041482 /nfs/dbraw/zinc/04/14/82/1166041482.db2.gz LTOLQGCPMWXKJT-JTQLQIEISA-N -1 1 324.348 0.406 20 0 DCADMM O=C(Nc1cccc2c1CCNC2=O)c1ccc(-c2nn[n-]n2)o1 ZINC001582647632 1166058115 /nfs/dbraw/zinc/05/81/15/1166058115.db2.gz WCQTTWIONFAIGZ-UHFFFAOYSA-N -1 1 324.300 0.998 20 0 DCADMM O=C(Nc1ncc2c(n1)CCOC2)c1cccc(-c2nnn[n-]2)n1 ZINC001582653881 1166060673 /nfs/dbraw/zinc/06/06/73/1166060673.db2.gz ZPSMNEYBJOTBED-UHFFFAOYSA-N -1 1 324.304 0.377 20 0 DCADMM O=C(Nc1ncc2c(n1)CCOC2)c1cccc(-c2nn[n-]n2)n1 ZINC001582653881 1166060682 /nfs/dbraw/zinc/06/06/82/1166060682.db2.gz ZPSMNEYBJOTBED-UHFFFAOYSA-N -1 1 324.304 0.377 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc2cnccc2n1 ZINC001582650287 1166061540 /nfs/dbraw/zinc/06/15/40/1166061540.db2.gz OEPQHRUFJLEYKM-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCc2ncncc2C1 ZINC001582648111 1166061759 /nfs/dbraw/zinc/06/17/59/1166061759.db2.gz OHTBKLNDXXHGAF-UHFFFAOYSA-N -1 1 323.320 0.642 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCc2ncncc2C1 ZINC001582648111 1166061763 /nfs/dbraw/zinc/06/17/63/1166061763.db2.gz OHTBKLNDXXHGAF-UHFFFAOYSA-N -1 1 323.320 0.642 20 0 DCADMM O=C1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1c1ccccc1 ZINC001582756164 1166076159 /nfs/dbraw/zinc/07/61/59/1166076159.db2.gz QPWMDUYHKADMPZ-LLVKDONJSA-N -1 1 322.332 0.296 20 0 DCADMM OC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C(F)(F)F ZINC001582814191 1166093528 /nfs/dbraw/zinc/09/35/28/1166093528.db2.gz YIDZSCLKJDCGKL-NKWVEPMBSA-N -1 1 315.259 0.264 20 0 DCADMM OC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C(F)(F)F ZINC001582814191 1166093533 /nfs/dbraw/zinc/09/35/33/1166093533.db2.gz YIDZSCLKJDCGKL-NKWVEPMBSA-N -1 1 315.259 0.264 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1nc(C2CC2)no1 ZINC001583550981 1166269363 /nfs/dbraw/zinc/26/93/63/1166269363.db2.gz CLNSRIIAGOJHLI-UHFFFAOYSA-N -1 1 307.335 0.970 20 0 DCADMM Nc1cc(F)c(F)cc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001585183637 1166410019 /nfs/dbraw/zinc/41/00/19/1166410019.db2.gz REUKMHCIMKIBLH-SNVBAGLBSA-N -1 1 310.264 0.274 20 0 DCADMM CN(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1nn[n-]n1 ZINC001586262294 1166490406 /nfs/dbraw/zinc/49/04/06/1166490406.db2.gz LOXKHWMPGVADLB-UHFFFAOYSA-N -1 1 315.268 0.161 20 0 DCADMM O=C(Nc1nccs1)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001587421011 1166507783 /nfs/dbraw/zinc/50/77/83/1166507783.db2.gz LMQCIXDKDJUNHM-UHFFFAOYSA-N -1 1 303.303 0.975 20 0 DCADMM CC(=O)C1(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CC1 ZINC001588786565 1166589725 /nfs/dbraw/zinc/58/97/25/1166589725.db2.gz RTYSIFXRQGSSOA-UHFFFAOYSA-N -1 1 307.260 0.996 20 0 DCADMM CC(=O)C1(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CC1 ZINC001588786565 1166589727 /nfs/dbraw/zinc/58/97/27/1166589727.db2.gz RTYSIFXRQGSSOA-UHFFFAOYSA-N -1 1 307.260 0.996 20 0 DCADMM CC(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588809466 1166593848 /nfs/dbraw/zinc/59/38/48/1166593848.db2.gz FLOQIGOWBUKFKR-WCBMZHEXSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588809466 1166593853 /nfs/dbraw/zinc/59/38/53/1166593853.db2.gz FLOQIGOWBUKFKR-WCBMZHEXSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H](COC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001588812799 1166593958 /nfs/dbraw/zinc/59/39/58/1166593958.db2.gz QSDJFINQILSCFI-JTQLQIEISA-N -1 1 316.321 0.287 20 0 DCADMM CC(=O)N1CC[C@H](COC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001588812799 1166593963 /nfs/dbraw/zinc/59/39/63/1166593963.db2.gz QSDJFINQILSCFI-JTQLQIEISA-N -1 1 316.321 0.287 20 0 DCADMM CC(=O)N1CCC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588816166 1166597264 /nfs/dbraw/zinc/59/72/64/1166597264.db2.gz VKALWFAJHVJRIK-KOLCDFICSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588816166 1166597270 /nfs/dbraw/zinc/59/72/70/1166597270.db2.gz VKALWFAJHVJRIK-KOLCDFICSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001588837998 1166602273 /nfs/dbraw/zinc/60/22/73/1166602273.db2.gz UFRWEAWYOAKTGR-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM CC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001588837998 1166602274 /nfs/dbraw/zinc/60/22/74/1166602274.db2.gz UFRWEAWYOAKTGR-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM CC(=O)NCCC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588858352 1166610495 /nfs/dbraw/zinc/61/04/95/1166610495.db2.gz VKCYTHFDXGJCOQ-LLVKDONJSA-N -1 1 316.369 0.542 20 0 DCADMM CC(=O)NCCC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588858352 1166610508 /nfs/dbraw/zinc/61/05/08/1166610508.db2.gz VKCYTHFDXGJCOQ-LLVKDONJSA-N -1 1 316.369 0.542 20 0 DCADMM CC(=O)Nc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001588878003 1166612593 /nfs/dbraw/zinc/61/25/93/1166612593.db2.gz OVCLQJHLYKSWRW-UHFFFAOYSA-N -1 1 310.321 0.649 20 0 DCADMM CC(=O)Nc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001588878003 1166612597 /nfs/dbraw/zinc/61/25/97/1166612597.db2.gz OVCLQJHLYKSWRW-UHFFFAOYSA-N -1 1 310.321 0.649 20 0 DCADMM CC(=O)c1c(F)cncc1NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588892999 1166614659 /nfs/dbraw/zinc/61/46/59/1166614659.db2.gz MMWSQSXRMUTOOM-UHFFFAOYSA-N -1 1 317.288 0.307 20 0 DCADMM C[C@H](C(=O)N1CCC[C@@H](CCF)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588952205 1166621240 /nfs/dbraw/zinc/62/12/40/1166621240.db2.gz OXPANDGDAMTEKW-ZJUUUORDSA-N -1 1 322.348 0.617 20 0 DCADMM C[C@@H](C(=O)NC(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588965655 1166621814 /nfs/dbraw/zinc/62/18/14/1166621814.db2.gz HLHYNRDJLSKENW-QMMMGPOBSA-N -1 1 304.358 0.396 20 0 DCADMM C[C@@H](C(=O)NC(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588965655 1166621822 /nfs/dbraw/zinc/62/18/22/1166621822.db2.gz HLHYNRDJLSKENW-QMMMGPOBSA-N -1 1 304.358 0.396 20 0 DCADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCC(=O)N1 ZINC001589011736 1166627641 /nfs/dbraw/zinc/62/76/41/1166627641.db2.gz KMLWCSXRBOXTSN-VXNVDRBHSA-N -1 1 316.321 0.426 20 0 DCADMM C[C@@H](C(=O)OCCC[C@@H]1CCOC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028673 1166630681 /nfs/dbraw/zinc/63/06/81/1166630681.db2.gz XSLSCEXURJQDHH-VHSXEESVSA-N -1 1 321.341 0.379 20 0 DCADMM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001589030569 1166631936 /nfs/dbraw/zinc/63/19/36/1166631936.db2.gz OCXOBLKZKPPOPZ-ZCFIWIBFSA-N -1 1 316.364 0.405 20 0 DCADMM CC(C)(C(=O)n1ncc(-c2nn[n-]n2)c1N)C1CCOCC1 ZINC001589063413 1166633435 /nfs/dbraw/zinc/63/34/35/1166633435.db2.gz DFESKVMUTNNVNF-UHFFFAOYSA-N -1 1 305.342 0.738 20 0 DCADMM CC(C)(C)CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(N)=O ZINC001589122904 1166634992 /nfs/dbraw/zinc/63/49/92/1166634992.db2.gz HNWPXOIZXPHLGS-MRVPVSSYSA-N -1 1 304.358 0.749 20 0 DCADMM CC(C)(C)CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(N)=O ZINC001589122904 1166634998 /nfs/dbraw/zinc/63/49/98/1166634998.db2.gz HNWPXOIZXPHLGS-MRVPVSSYSA-N -1 1 304.358 0.749 20 0 DCADMM CC(C)(C)NC(=O)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589141193 1166637837 /nfs/dbraw/zinc/63/78/37/1166637837.db2.gz LXMWEXUMVQMRII-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM CC(C)(C)NC(=O)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589141193 1166637840 /nfs/dbraw/zinc/63/78/40/1166637840.db2.gz LXMWEXUMVQMRII-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM CC(C)(C)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1=O ZINC001589133653 1166638403 /nfs/dbraw/zinc/63/84/03/1166638403.db2.gz ACPBHAASXBWKHM-QMMMGPOBSA-N -1 1 318.337 0.589 20 0 DCADMM CC(C)(C)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1=O ZINC001589133653 1166638406 /nfs/dbraw/zinc/63/84/06/1166638406.db2.gz ACPBHAASXBWKHM-QMMMGPOBSA-N -1 1 318.337 0.589 20 0 DCADMM CC(C)(C)N1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001589134260 1166638539 /nfs/dbraw/zinc/63/85/39/1166638539.db2.gz LWDUOFHONPVUIA-VIFPVBQESA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)(C)N1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001589134260 1166638543 /nfs/dbraw/zinc/63/85/43/1166638543.db2.gz LWDUOFHONPVUIA-VIFPVBQESA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)=CC(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589354455 1166651201 /nfs/dbraw/zinc/65/12/01/1166651201.db2.gz QRLFMYSUTIDXJG-JTQLQIEISA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)=CC(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589354455 1166651205 /nfs/dbraw/zinc/65/12/05/1166651205.db2.gz QRLFMYSUTIDXJG-JTQLQIEISA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)=CC(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001589361828 1166651564 /nfs/dbraw/zinc/65/15/64/1166651564.db2.gz QAIOPMWIIZLCHX-JTQLQIEISA-N -1 1 316.369 0.930 20 0 DCADMM CC(C)=CC(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001589361828 1166651569 /nfs/dbraw/zinc/65/15/69/1166651569.db2.gz QAIOPMWIIZLCHX-JTQLQIEISA-N -1 1 316.369 0.930 20 0 DCADMM CC(C)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001589395031 1166654904 /nfs/dbraw/zinc/65/49/04/1166654904.db2.gz IYJCJLGGOGSDCX-VIFPVBQESA-N -1 1 302.342 0.326 20 0 DCADMM CC(C)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001589395031 1166654912 /nfs/dbraw/zinc/65/49/12/1166654912.db2.gz IYJCJLGGOGSDCX-VIFPVBQESA-N -1 1 302.342 0.326 20 0 DCADMM CC(C)CC(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589530375 1166665663 /nfs/dbraw/zinc/66/56/63/1166665663.db2.gz KGXXAQIIEOYPOG-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)CC(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589530375 1166665667 /nfs/dbraw/zinc/66/56/67/1166665667.db2.gz KGXXAQIIEOYPOG-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)N1CCN(Cc2cccc(-c3nnn[n-]3)n2)CC1=O ZINC001589714593 1166676862 /nfs/dbraw/zinc/67/68/62/1166676862.db2.gz ZSXXPJXUJQEFGS-UHFFFAOYSA-N -1 1 301.354 0.314 20 0 DCADMM CC(C)N1CCN(Cc2cccc(-c3nn[n-]n3)n2)CC1=O ZINC001589714593 1166676867 /nfs/dbraw/zinc/67/68/67/1166676867.db2.gz ZSXXPJXUJQEFGS-UHFFFAOYSA-N -1 1 301.354 0.314 20 0 DCADMM CC(C)c1nc(CCNc2ncncc2-c2nn[n-]n2)n(C)n1 ZINC001589775607 1166685233 /nfs/dbraw/zinc/68/52/33/1166685233.db2.gz DQALCVJRLRURIF-UHFFFAOYSA-N -1 1 314.357 0.563 20 0 DCADMM CC(C)c1nnc(CNc2ncncc2-c2nn[n-]n2)n1C ZINC001589778564 1166686459 /nfs/dbraw/zinc/68/64/59/1166686459.db2.gz LHIHZBFCSMDLFO-UHFFFAOYSA-N -1 1 300.330 0.521 20 0 DCADMM CC(C)C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001589831598 1166695419 /nfs/dbraw/zinc/69/54/19/1166695419.db2.gz BZJBPVHEPXLQKT-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001589831598 1166695416 /nfs/dbraw/zinc/69/54/16/1166695416.db2.gz BZJBPVHEPXLQKT-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H](CNC(=O)C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001589852850 1166699277 /nfs/dbraw/zinc/69/92/77/1166699277.db2.gz RLNXWXYRSLRWJT-MRVPVSSYSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@@H](CNC(=O)C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001589852850 1166699281 /nfs/dbraw/zinc/69/92/81/1166699281.db2.gz RLNXWXYRSLRWJT-MRVPVSSYSA-N -1 1 302.342 0.231 20 0 DCADMM CC(CO)(CO)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001589881496 1166704459 /nfs/dbraw/zinc/70/44/59/1166704459.db2.gz SLNJTQXNKNFONK-UHFFFAOYSA-N -1 1 315.337 0.213 20 0 DCADMM CC(CO)(CO)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001589881496 1166704461 /nfs/dbraw/zinc/70/44/61/1166704461.db2.gz SLNJTQXNKNFONK-UHFFFAOYSA-N -1 1 315.337 0.213 20 0 DCADMM C[C@H](C[S@](C)=O)N(C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589887866 1166707630 /nfs/dbraw/zinc/70/76/30/1166707630.db2.gz AOOXNEQYIGEZBB-PJLCYMMNSA-N -1 1 323.382 0.492 20 0 DCADMM C[C@H](C[S@](C)=O)N(C)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589887866 1166707636 /nfs/dbraw/zinc/70/76/36/1166707636.db2.gz AOOXNEQYIGEZBB-PJLCYMMNSA-N -1 1 323.382 0.492 20 0 DCADMM C[C@@H](C[S@](C)=O)N(C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589887868 1166707775 /nfs/dbraw/zinc/70/77/75/1166707775.db2.gz AOOXNEQYIGEZBB-ZCAPAMDOSA-N -1 1 323.382 0.492 20 0 DCADMM C[C@@H](C[S@](C)=O)N(C)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589887868 1166707781 /nfs/dbraw/zinc/70/77/81/1166707781.db2.gz AOOXNEQYIGEZBB-ZCAPAMDOSA-N -1 1 323.382 0.492 20 0 DCADMM CC1(C)C(C(=O)Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)C1(C)C ZINC001590073586 1166765523 /nfs/dbraw/zinc/76/55/23/1166765523.db2.gz PIVLCRSMLJAJMJ-UHFFFAOYSA-N -1 1 318.337 0.380 20 0 DCADMM CC1(C)C[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C(=O)O1 ZINC001590082565 1166767409 /nfs/dbraw/zinc/76/74/09/1166767409.db2.gz HWJIWHWLHBWKFS-VIFPVBQESA-N -1 1 302.294 0.086 20 0 DCADMM CC1(C)C[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C(=O)O1 ZINC001590082565 1166767412 /nfs/dbraw/zinc/76/74/12/1166767412.db2.gz HWJIWHWLHBWKFS-VIFPVBQESA-N -1 1 302.294 0.086 20 0 DCADMM CC1(C)[C@H](O)CCN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590076369 1166767558 /nfs/dbraw/zinc/76/75/58/1166767558.db2.gz DOWOAQLMYSRATE-SECBINFHSA-N -1 1 322.756 0.901 20 0 DCADMM CC1(C)[C@H](O)C[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590077847 1166769169 /nfs/dbraw/zinc/76/91/69/1166769169.db2.gz PXRCSHCREZZRHZ-RKDXNWHRSA-N -1 1 303.326 0.543 20 0 DCADMM CC1(C)[C@H](O)C[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590077847 1166769174 /nfs/dbraw/zinc/76/91/74/1166769174.db2.gz PXRCSHCREZZRHZ-RKDXNWHRSA-N -1 1 303.326 0.543 20 0 DCADMM CC1(C)SC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590115975 1166780006 /nfs/dbraw/zinc/78/00/06/1166780006.db2.gz AKAPHOQWECXKQU-JTQLQIEISA-N -1 1 304.379 0.814 20 0 DCADMM CC1(C)SC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590115975 1166780010 /nfs/dbraw/zinc/78/00/10/1166780010.db2.gz AKAPHOQWECXKQU-JTQLQIEISA-N -1 1 304.379 0.814 20 0 DCADMM CC1(C)OCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590119980 1166781080 /nfs/dbraw/zinc/78/10/80/1166781080.db2.gz WDMPVFDUKFGTLY-JTQLQIEISA-N -1 1 324.366 0.108 20 0 DCADMM CC1(C)OCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590119980 1166781084 /nfs/dbraw/zinc/78/10/84/1166781084.db2.gz WDMPVFDUKFGTLY-JTQLQIEISA-N -1 1 324.366 0.108 20 0 DCADMM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590166560 1166794955 /nfs/dbraw/zinc/79/49/55/1166794955.db2.gz DEUAJHBMTFYYLH-MWLCHTKSSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590166560 1166794958 /nfs/dbraw/zinc/79/49/58/1166794958.db2.gz DEUAJHBMTFYYLH-MWLCHTKSSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@H]1[C@@H](CO)CCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590167146 1166797063 /nfs/dbraw/zinc/79/70/63/1166797063.db2.gz BOAOYIUELZHARJ-JGVFFNPUSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@H]1[C@@H](CO)CCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590167146 1166797067 /nfs/dbraw/zinc/79/70/67/1166797067.db2.gz BOAOYIUELZHARJ-JGVFFNPUSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H]1[C@H](C)N(C(=O)c2ccnc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC001590167781 1166797987 /nfs/dbraw/zinc/79/79/87/1166797987.db2.gz PCDRJEMPSOWBGM-ZJUUUORDSA-N -1 1 301.354 0.426 20 0 DCADMM C[C@@H]1[C@H](C)N(C(=O)c2ccnc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001590167781 1166797992 /nfs/dbraw/zinc/79/79/92/1166797992.db2.gz PCDRJEMPSOWBGM-ZJUUUORDSA-N -1 1 301.354 0.426 20 0 DCADMM C[C@H]1[C@H](CO)CCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590168280 1166798827 /nfs/dbraw/zinc/79/88/27/1166798827.db2.gz KHVQHSPYNQUHEL-IUCAKERBSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@H]1[C@H](CO)CCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590168280 1166798835 /nfs/dbraw/zinc/79/88/35/1166798835.db2.gz KHVQHSPYNQUHEL-IUCAKERBSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H]1C[C@@H](C)N1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590192688 1166806294 /nfs/dbraw/zinc/80/62/94/1166806294.db2.gz WNZKLZNLKDWOQS-HTQZYQBOSA-N -1 1 301.310 0.210 20 0 DCADMM C[C@@H]1C[C@@H](C)N1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590192688 1166806299 /nfs/dbraw/zinc/80/62/99/1166806299.db2.gz WNZKLZNLKDWOQS-HTQZYQBOSA-N -1 1 301.310 0.210 20 0 DCADMM C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccncc1-c1nn[nH]n1 ZINC001590225416 1166821200 /nfs/dbraw/zinc/82/12/00/1166821200.db2.gz DONBKPXIHOKIRB-ONGXEEELSA-N -1 1 302.338 0.947 20 0 DCADMM C[C@@H](C(=O)N1C[C@H](C)CC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590227319 1166822059 /nfs/dbraw/zinc/82/20/59/1166822059.db2.gz NAXHRTQQVXVHGL-BBBLOLIVSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@H]1C ZINC001590239291 1166822886 /nfs/dbraw/zinc/82/28/86/1166822886.db2.gz XYHVBRFLRXFPCG-IWSPIJDZSA-N -1 1 319.369 0.903 20 0 DCADMM C[C@@H]1CC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590238237 1166823353 /nfs/dbraw/zinc/82/33/53/1166823353.db2.gz CZLIEAYTYFLKGT-SFYZADRCSA-N -1 1 301.310 0.115 20 0 DCADMM C[C@@H]1CC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590238237 1166823357 /nfs/dbraw/zinc/82/33/57/1166823357.db2.gz CZLIEAYTYFLKGT-SFYZADRCSA-N -1 1 301.310 0.115 20 0 DCADMM C[C@@H]1CCC[C@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)O1 ZINC001590242888 1166826754 /nfs/dbraw/zinc/82/67/54/1166826754.db2.gz MQAVLZHGYATNEZ-RKDXNWHRSA-N -1 1 320.357 0.679 20 0 DCADMM C[C@@H]1CCC[C@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)O1 ZINC001590242888 1166826763 /nfs/dbraw/zinc/82/67/63/1166826763.db2.gz MQAVLZHGYATNEZ-RKDXNWHRSA-N -1 1 320.357 0.679 20 0 DCADMM C[C@@H]1CCC[C@]1(O)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590250691 1166827771 /nfs/dbraw/zinc/82/77/71/1166827771.db2.gz WJGFTQQHXGBJES-OTYXRUKQSA-N -1 1 302.338 0.543 20 0 DCADMM C[C@@H]1CCC[C@]1(O)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590250691 1166827774 /nfs/dbraw/zinc/82/77/74/1166827774.db2.gz WJGFTQQHXGBJES-OTYXRUKQSA-N -1 1 302.338 0.543 20 0 DCADMM C[C@@H]1CCCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001590262036 1166830407 /nfs/dbraw/zinc/83/04/07/1166830407.db2.gz UEAIOUVHMMDGMM-ZJUUUORDSA-N -1 1 319.373 0.288 20 0 DCADMM CC1CCN(C(=O)Cn2cc(-c3nn[n-]n3)ccc2=O)CC1 ZINC001590264843 1166831803 /nfs/dbraw/zinc/83/18/03/1166831803.db2.gz RVOFCRUAOSQXJS-UHFFFAOYSA-N -1 1 302.338 0.287 20 0 DCADMM C[C@H]1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC[S@]1=O ZINC001590273190 1166836039 /nfs/dbraw/zinc/83/60/39/1166836039.db2.gz WLMDUTIFBLPGTP-CHNSCGDPSA-N -1 1 306.395 0.605 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@]2(CCOC2)O1 ZINC001590312741 1166856450 /nfs/dbraw/zinc/85/64/50/1166856450.db2.gz QMWMOCFKNPMTSP-RNCFNFMXSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@]2(CCOC2)O1 ZINC001590312741 1166856455 /nfs/dbraw/zinc/85/64/55/1166856455.db2.gz QMWMOCFKNPMTSP-RNCFNFMXSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@]2(CCCOC2)O1 ZINC001590317110 1166858997 /nfs/dbraw/zinc/85/89/97/1166858997.db2.gz ULSCBKOXXRRNSX-IINYFYTJSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@]2(CCCOC2)O1 ZINC001590317110 1166858999 /nfs/dbraw/zinc/85/89/99/1166858999.db2.gz ULSCBKOXXRRNSX-IINYFYTJSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)ncn2)C[C@@]2(CCCOC2)O1 ZINC001590315556 1166860409 /nfs/dbraw/zinc/86/04/09/1166860409.db2.gz XIZQOGFMRKOIBE-IINYFYTJSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)ncn2)C[C@@]2(CCCOC2)O1 ZINC001590315556 1166860412 /nfs/dbraw/zinc/86/04/12/1166860412.db2.gz XIZQOGFMRKOIBE-IINYFYTJSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CO[C@H](C(F)(F)F)CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590323569 1166866127 /nfs/dbraw/zinc/86/61/27/1166866127.db2.gz MRLVYVIXCXPLBT-SVRRBLITSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CO[C@H](C(F)(F)F)CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590323569 1166866129 /nfs/dbraw/zinc/86/61/29/1166866129.db2.gz MRLVYVIXCXPLBT-SVRRBLITSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H](C(=O)N1CCSC[C@@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590325281 1166866504 /nfs/dbraw/zinc/86/65/04/1166866504.db2.gz BVTFAZXLAKMJSC-DTWKUNHWSA-N -1 1 322.398 0.231 20 0 DCADMM C[C@@H]1SCC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590337206 1166874162 /nfs/dbraw/zinc/87/41/62/1166874162.db2.gz OCBTVUZCBNHOKY-WPRPVWTQSA-N -1 1 304.379 0.814 20 0 DCADMM C[C@@H]1SCC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590337206 1166874169 /nfs/dbraw/zinc/87/41/69/1166874169.db2.gz OCBTVUZCBNHOKY-WPRPVWTQSA-N -1 1 304.379 0.814 20 0 DCADMM C/C=C(/C)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001590342830 1166876129 /nfs/dbraw/zinc/87/61/29/1166876129.db2.gz QTEJALVNBVPRPO-BNFOFFDWSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(/C)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001590342830 1166876135 /nfs/dbraw/zinc/87/61/35/1166876135.db2.gz QTEJALVNBVPRPO-BNFOFFDWSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(\C)C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001590344750 1166877171 /nfs/dbraw/zinc/87/71/71/1166877171.db2.gz FEYQBXSIIIDUJI-BZFUBLJMSA-N -1 1 316.369 0.787 20 0 DCADMM C/C=C(\C)C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001590344750 1166877174 /nfs/dbraw/zinc/87/71/74/1166877174.db2.gz FEYQBXSIIIDUJI-BZFUBLJMSA-N -1 1 316.369 0.787 20 0 DCADMM CCC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590360934 1166885249 /nfs/dbraw/zinc/88/52/49/1166885249.db2.gz PKVZPMSBHWJRNV-UHFFFAOYSA-N -1 1 302.342 0.470 20 0 DCADMM CCC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590360934 1166885252 /nfs/dbraw/zinc/88/52/52/1166885252.db2.gz PKVZPMSBHWJRNV-UHFFFAOYSA-N -1 1 302.342 0.470 20 0 DCADMM CC[C@H](CNC(=O)c1cc(-c2nnn[n-]2)oc1C)C(=O)OC ZINC001590443399 1166908749 /nfs/dbraw/zinc/90/87/49/1166908749.db2.gz SNEFMDHWRGUBMZ-MRVPVSSYSA-N -1 1 307.310 0.697 20 0 DCADMM CC[C@H](CNC(=O)c1cc(-c2nn[n-]n2)oc1C)C(=O)OC ZINC001590443399 1166908755 /nfs/dbraw/zinc/90/87/55/1166908755.db2.gz SNEFMDHWRGUBMZ-MRVPVSSYSA-N -1 1 307.310 0.697 20 0 DCADMM CC[C@@]1(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCOC1 ZINC001590496468 1166924777 /nfs/dbraw/zinc/92/47/77/1166924777.db2.gz SZFZJBLBHKKMJA-CYBMUJFWSA-N -1 1 306.326 0.391 20 0 DCADMM CC[C@@]1(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCOC1 ZINC001590496468 1166924784 /nfs/dbraw/zinc/92/47/84/1166924784.db2.gz SZFZJBLBHKKMJA-CYBMUJFWSA-N -1 1 306.326 0.391 20 0 DCADMM CC[C@@H]1C[C@@H](OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CCO1 ZINC001590504941 1166928777 /nfs/dbraw/zinc/92/87/77/1166928777.db2.gz MMDCDTPYKDBQPA-BBBLOLIVSA-N -1 1 321.341 0.520 20 0 DCADMM CC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)[S@@]1=O ZINC001590520760 1166931507 /nfs/dbraw/zinc/93/15/07/1166931507.db2.gz IXKNIGRZTMLCKN-VUVYZSTRSA-N -1 1 306.395 0.998 20 0 DCADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)[S@@]1=O ZINC001590520760 1166931511 /nfs/dbraw/zinc/93/15/11/1166931511.db2.gz IXKNIGRZTMLCKN-VUVYZSTRSA-N -1 1 306.395 0.998 20 0 DCADMM CC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)CO1 ZINC001590522674 1166934317 /nfs/dbraw/zinc/93/43/17/1166934317.db2.gz WOYCVTUMPQOIGN-ONGXEEELSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)CO1 ZINC001590522674 1166934323 /nfs/dbraw/zinc/93/43/23/1166934323.db2.gz WOYCVTUMPQOIGN-ONGXEEELSA-N -1 1 302.338 0.901 20 0 DCADMM CC/C=C(\C)C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590536268 1166937575 /nfs/dbraw/zinc/93/75/75/1166937575.db2.gz ZOMBYTFFRUBCJF-NAZIUFLLSA-N -1 1 316.369 0.352 20 0 DCADMM 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COC(=O)[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(C)C ZINC001591234462 1167170640 /nfs/dbraw/zinc/17/06/40/1167170640.db2.gz KDZDNGPPLRJXNW-SNVBAGLBSA-N -1 1 304.310 0.189 20 0 DCADMM COC(=O)[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(C)C ZINC001591234462 1167170642 /nfs/dbraw/zinc/17/06/42/1167170642.db2.gz KDZDNGPPLRJXNW-SNVBAGLBSA-N -1 1 304.310 0.189 20 0 DCADMM COC(=O)C1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591243098 1167172166 /nfs/dbraw/zinc/17/21/66/1167172166.db2.gz UGFAEOCFVDETGW-UHFFFAOYSA-N -1 1 303.278 0.258 20 0 DCADMM COC(=O)C1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591243098 1167172171 /nfs/dbraw/zinc/17/21/71/1167172171.db2.gz UGFAEOCFVDETGW-UHFFFAOYSA-N -1 1 303.278 0.258 20 0 DCADMM COC(=O)C1=CC[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591246582 1167174592 /nfs/dbraw/zinc/17/45/92/1167174592.db2.gz IIFMBWSSMXYQPO-MRVPVSSYSA-N -1 1 319.346 0.920 20 0 DCADMM COC(=O)C1=CC[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001591246582 1167174597 /nfs/dbraw/zinc/17/45/97/1167174597.db2.gz IIFMBWSSMXYQPO-MRVPVSSYSA-N -1 1 319.346 0.920 20 0 DCADMM COC(=O)C12CC(C(=O)OCc3ccc(-c4nnn[n-]4)o3)(C1)C2 ZINC001591246436 1167175362 /nfs/dbraw/zinc/17/53/62/1167175362.db2.gz RMGRKMYGTYTJFN-UHFFFAOYSA-N -1 1 318.289 0.846 20 0 DCADMM COC(=O)C12CC(C(=O)OCc3ccc(-c4nn[n-]n4)o3)(C1)C2 ZINC001591246436 1167175366 /nfs/dbraw/zinc/17/53/66/1167175366.db2.gz RMGRKMYGTYTJFN-UHFFFAOYSA-N -1 1 318.289 0.846 20 0 DCADMM COC(=O)C1CC(NC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591250660 1167176541 /nfs/dbraw/zinc/17/65/41/1167176541.db2.gz SALFZTDVJJDNOU-UHFFFAOYSA-N -1 1 305.294 0.450 20 0 DCADMM COC(=O)C1CC(NC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591250660 1167176549 /nfs/dbraw/zinc/17/65/49/1167176549.db2.gz SALFZTDVJJDNOU-UHFFFAOYSA-N -1 1 305.294 0.450 20 0 DCADMM COC(=O)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001591258817 1167184875 /nfs/dbraw/zinc/18/48/75/1167184875.db2.gz QUSXKYVFKDHVCC-VIFPVBQESA-N -1 1 303.326 0.080 20 0 DCADMM COC(=O)CCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001591262644 1167185795 /nfs/dbraw/zinc/18/57/95/1167185795.db2.gz ASBXUSQMVNPVLQ-UHFFFAOYSA-N -1 1 305.294 0.854 20 0 DCADMM COC(=O)NCCCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001591274987 1167193504 /nfs/dbraw/zinc/19/35/04/1167193504.db2.gz HOUMNIRXZUNZGX-UHFFFAOYSA-N -1 1 320.309 0.441 20 0 DCADMM COC(=O)NCCCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001591274987 1167193508 /nfs/dbraw/zinc/19/35/08/1167193508.db2.gz HOUMNIRXZUNZGX-UHFFFAOYSA-N -1 1 320.309 0.441 20 0 DCADMM COC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001591274076 1167194182 /nfs/dbraw/zinc/19/41/82/1167194182.db2.gz SMECKKZTVCWFNC-MRVPVSSYSA-N -1 1 304.314 0.299 20 0 DCADMM COC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001591274076 1167194187 /nfs/dbraw/zinc/19/41/87/1167194187.db2.gz SMECKKZTVCWFNC-MRVPVSSYSA-N -1 1 304.314 0.299 20 0 DCADMM COC(=O)[C@@H]1CCN(c2ncncc2-c2nn[n-]n2)C[C@@H]1C ZINC001591278088 1167195138 /nfs/dbraw/zinc/19/51/38/1167195138.db2.gz JLSVFDKXGBVJGN-DTWKUNHWSA-N -1 1 303.326 0.292 20 0 DCADMM COC(=O)[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591282656 1167198410 /nfs/dbraw/zinc/19/84/10/1167198410.db2.gz CTVQVVDSHNMAKX-SNVBAGLBSA-N -1 1 302.294 0.039 20 0 DCADMM COC(=O)[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591282656 1167198413 /nfs/dbraw/zinc/19/84/13/1167198413.db2.gz CTVQVVDSHNMAKX-SNVBAGLBSA-N -1 1 302.294 0.039 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591280659 1167198503 /nfs/dbraw/zinc/19/85/03/1167198503.db2.gz HSJWKVSSFKODKQ-VXNVDRBHSA-N -1 1 305.294 0.307 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591280659 1167198505 /nfs/dbraw/zinc/19/85/05/1167198505.db2.gz HSJWKVSSFKODKQ-VXNVDRBHSA-N -1 1 305.294 0.307 20 0 DCADMM COC(=O)c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)on1 ZINC001591290226 1167200360 /nfs/dbraw/zinc/20/03/60/1167200360.db2.gz KHUVFGLGAVHBTK-UHFFFAOYSA-N -1 1 304.222 0.487 20 0 DCADMM COC(=O)c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)on1 ZINC001591290226 1167200366 /nfs/dbraw/zinc/20/03/66/1167200366.db2.gz KHUVFGLGAVHBTK-UHFFFAOYSA-N -1 1 304.222 0.487 20 0 DCADMM COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591283082 1167201963 /nfs/dbraw/zinc/20/19/63/1167201963.db2.gz LBFDAQHIGKOPBL-AWEZNQCLSA-N -1 1 316.321 0.429 20 0 DCADMM COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591283082 1167201966 /nfs/dbraw/zinc/20/19/66/1167201966.db2.gz LBFDAQHIGKOPBL-AWEZNQCLSA-N -1 1 316.321 0.429 20 0 DCADMM COC(=O)c1ccc(NCC2OCCCO2)c(-c2nnn[n-]2)n1 ZINC001591295916 1167203581 /nfs/dbraw/zinc/20/35/81/1167203581.db2.gz ICBPIRUYHLOJPE-UHFFFAOYSA-N -1 1 320.309 0.223 20 0 DCADMM COC(=O)c1ccc(NCC2OCCCO2)c(-c2nn[n-]n2)n1 ZINC001591295916 1167203585 /nfs/dbraw/zinc/20/35/85/1167203585.db2.gz ICBPIRUYHLOJPE-UHFFFAOYSA-N -1 1 320.309 0.223 20 0 DCADMM CO[C@@H](C(=O)OCc1cccnc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001591314584 1167209283 /nfs/dbraw/zinc/20/92/83/1167209283.db2.gz KBZCXHGUNHVWFR-CMPLNLGQSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@@H](C(=O)OCc1cccnc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC001591314584 1167209291 /nfs/dbraw/zinc/20/92/91/1167209291.db2.gz KBZCXHGUNHVWFR-CMPLNLGQSA-N -1 1 319.321 0.356 20 0 DCADMM COC(C)(C)[C@@H](C)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591316307 1167210207 /nfs/dbraw/zinc/21/02/07/1167210207.db2.gz OKVQLGAIXPRFHE-SECBINFHSA-N -1 1 304.354 0.734 20 0 DCADMM COC(C)(C)[C@@H](C)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591316307 1167210216 /nfs/dbraw/zinc/21/02/16/1167210216.db2.gz OKVQLGAIXPRFHE-SECBINFHSA-N -1 1 304.354 0.734 20 0 DCADMM CO[C@@H]([C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001591327630 1167218468 /nfs/dbraw/zinc/21/84/68/1167218468.db2.gz UZJXLJCZICRDPJ-PELKAZGASA-N -1 1 302.338 0.805 20 0 DCADMM CO[C@@H]([C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001591327630 1167218475 /nfs/dbraw/zinc/21/84/75/1167218475.db2.gz UZJXLJCZICRDPJ-PELKAZGASA-N -1 1 302.338 0.805 20 0 DCADMM COC1([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001591337951 1167223225 /nfs/dbraw/zinc/22/32/25/1167223225.db2.gz KQKXQYUVJPPSDR-VIFPVBQESA-N -1 1 302.338 0.949 20 0 DCADMM COC1([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001591337951 1167223233 /nfs/dbraw/zinc/22/32/33/1167223233.db2.gz KQKXQYUVJPPSDR-VIFPVBQESA-N -1 1 302.338 0.949 20 0 DCADMM CO[C@]1(CO)CCCN(c2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001591343644 1167225602 /nfs/dbraw/zinc/22/56/02/1167225602.db2.gz CVFBOBIVWMNYFN-CQSZACIVSA-N -1 1 304.354 0.548 20 0 DCADMM CO[C@]1(CO)CCCN(c2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001591343644 1167225608 /nfs/dbraw/zinc/22/56/08/1167225608.db2.gz CVFBOBIVWMNYFN-CQSZACIVSA-N -1 1 304.354 0.548 20 0 DCADMM CO[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001591357732 1167229630 /nfs/dbraw/zinc/22/96/30/1167229630.db2.gz PMPRKZUCDCGSBF-VHSXEESVSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001591357732 1167229634 /nfs/dbraw/zinc/22/96/34/1167229634.db2.gz PMPRKZUCDCGSBF-VHSXEESVSA-N -1 1 302.338 0.901 20 0 DCADMM COC[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@@H]1CCCOC1 ZINC001591382238 1167251043 /nfs/dbraw/zinc/25/10/43/1167251043.db2.gz GONNVOXASYBEIB-PWSUYJOCSA-N -1 1 319.369 0.819 20 0 DCADMM COC[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@@H]1CCCOC1 ZINC001591382238 1167251047 /nfs/dbraw/zinc/25/10/47/1167251047.db2.gz GONNVOXASYBEIB-PWSUYJOCSA-N -1 1 319.369 0.819 20 0 DCADMM COC[C@@]1(C)CN(Cc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001591386061 1167255906 /nfs/dbraw/zinc/25/59/06/1167255906.db2.gz WJCMINQMIWZHMU-GFCCVEGCSA-N -1 1 310.383 0.561 20 0 DCADMM COC[C@@]1(C)CN(Cc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001591386061 1167255912 /nfs/dbraw/zinc/25/59/12/1167255912.db2.gz WJCMINQMIWZHMU-GFCCVEGCSA-N -1 1 310.383 0.561 20 0 DCADMM COCCOCCOCCCn1cccc(-c2nn[n-]n2)c1=O ZINC001591440386 1167290372 /nfs/dbraw/zinc/29/03/72/1167290372.db2.gz PIYITOBJUVHKTL-UHFFFAOYSA-N -1 1 323.353 0.098 20 0 DCADMM CON(C)C(=O)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001591462150 1167296803 /nfs/dbraw/zinc/29/68/03/1167296803.db2.gz BTUMDHZWWWXYGA-UHFFFAOYSA-N -1 1 317.353 0.498 20 0 DCADMM CON(C)C(=O)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001591462150 1167296809 /nfs/dbraw/zinc/29/68/09/1167296809.db2.gz BTUMDHZWWWXYGA-UHFFFAOYSA-N -1 1 317.353 0.498 20 0 DCADMM CON(C)C1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001591466193 1167299438 /nfs/dbraw/zinc/29/94/38/1167299438.db2.gz ZWPYNERHQNILSG-UHFFFAOYSA-N -1 1 306.301 0.323 20 0 DCADMM CON(C)C1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001591466193 1167299443 /nfs/dbraw/zinc/29/94/43/1167299443.db2.gz ZWPYNERHQNILSG-UHFFFAOYSA-N -1 1 306.301 0.323 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CC[C@H]1CCCCO1 ZINC001591473781 1167304446 /nfs/dbraw/zinc/30/44/46/1167304446.db2.gz PBHCZBJPHJLAFC-SNVBAGLBSA-N -1 1 305.338 0.996 20 0 DCADMM COc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)on1 ZINC001591515067 1167320571 /nfs/dbraw/zinc/32/05/71/1167320571.db2.gz CJXHXTURFILZRK-UHFFFAOYSA-N -1 1 306.307 0.855 20 0 DCADMM COc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1C ZINC001591518782 1167321793 /nfs/dbraw/zinc/32/17/93/1167321793.db2.gz LXISUVMWFDDFEG-UHFFFAOYSA-N -1 1 315.293 0.361 20 0 DCADMM COc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1C ZINC001591518782 1167321797 /nfs/dbraw/zinc/32/17/97/1167321797.db2.gz LXISUVMWFDDFEG-UHFFFAOYSA-N -1 1 315.293 0.361 20 0 DCADMM COc1cccc(CCC(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001591635519 1167341714 /nfs/dbraw/zinc/34/17/14/1167341714.db2.gz QJHNPVGAKWFLKU-UHFFFAOYSA-N -1 1 313.321 0.927 20 0 DCADMM COc1ncc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c(C)n1 ZINC001591663416 1167344462 /nfs/dbraw/zinc/34/44/62/1167344462.db2.gz SUEBQJSRADNPJR-UHFFFAOYSA-N -1 1 313.321 0.492 20 0 DCADMM COc1ncc(NC(=O)N[C@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC001591667618 1167345962 /nfs/dbraw/zinc/34/59/62/1167345962.db2.gz ZHKUALOCUAOFKX-QMMMGPOBSA-N -1 1 319.325 0.571 20 0 DCADMM COc1ncc(NC(=O)NCCCCCO)cc1-c1nn[n-]n1 ZINC001591665382 1167347250 /nfs/dbraw/zinc/34/72/50/1167347250.db2.gz CFSFBVGANWNTJV-UHFFFAOYSA-N -1 1 321.341 0.554 20 0 DCADMM CS(=O)(=O)c1ccc(Oc2cccnc2-c2nnn[n-]2)nc1 ZINC001591681996 1167350396 /nfs/dbraw/zinc/35/03/96/1167350396.db2.gz RTWWJOIDHGDYOJ-UHFFFAOYSA-N -1 1 318.318 0.853 20 0 DCADMM CS(=O)(=O)c1ccc(Oc2cccnc2-c2nn[n-]n2)nc1 ZINC001591681996 1167350403 /nfs/dbraw/zinc/35/04/03/1167350403.db2.gz RTWWJOIDHGDYOJ-UHFFFAOYSA-N -1 1 318.318 0.853 20 0 DCADMM CS[C@@H](CO)[C@@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591690733 1167353216 /nfs/dbraw/zinc/35/32/16/1167353216.db2.gz TWGUDYGHUWRNBU-XCBNKYQSSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@@H](CO)[C@@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591690733 1167353223 /nfs/dbraw/zinc/35/32/23/1167353223.db2.gz TWGUDYGHUWRNBU-XCBNKYQSSA-N -1 1 308.367 0.104 20 0 DCADMM C[C@@H]1C[C@H](CO)CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591757855 1167368515 /nfs/dbraw/zinc/36/85/15/1167368515.db2.gz WNOQHRNYKOCRLC-NXEZZACHSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1C[C@H](CO)CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591757855 1167368523 /nfs/dbraw/zinc/36/85/23/1167368523.db2.gz WNOQHRNYKOCRLC-NXEZZACHSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@H]1C[C@@H](O)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591774544 1167373698 /nfs/dbraw/zinc/37/36/98/1167373698.db2.gz ATWNRYRJNIMQSF-DTWKUNHWSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@H]1C[C@@H](O)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591774544 1167373702 /nfs/dbraw/zinc/37/37/02/1167373702.db2.gz ATWNRYRJNIMQSF-DTWKUNHWSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@]12COC[C@]1(C)CN(C(=O)c1coc(-c3nnn[n-]3)c1)C2 ZINC001591779932 1167377382 /nfs/dbraw/zinc/37/73/82/1167377382.db2.gz DBCYBUQGOMQCLR-OKILXGFUSA-N -1 1 303.322 0.958 20 0 DCADMM C[C@@]12COC[C@]1(C)CN(C(=O)c1coc(-c3nn[n-]n3)c1)C2 ZINC001591779932 1167377388 /nfs/dbraw/zinc/37/73/88/1167377388.db2.gz DBCYBUQGOMQCLR-OKILXGFUSA-N -1 1 303.322 0.958 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2nnnn2C(C)(C)C)c1 ZINC001591836643 1167389780 /nfs/dbraw/zinc/38/97/80/1167389780.db2.gz FMWWZYFCMCGTTK-UHFFFAOYSA-N -1 1 315.341 0.127 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001591835961 1167391087 /nfs/dbraw/zinc/39/10/87/1167391087.db2.gz PNNSKZDNQVQQBU-VROVMSAKSA-N -1 1 300.322 0.804 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H](O)c2cccnc2)n1 ZINC001591883479 1167409164 /nfs/dbraw/zinc/40/91/64/1167409164.db2.gz PAHVKPJSNMJFMD-LBPRGKRZSA-N -1 1 312.337 0.530 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H](O)c2cccnc2)n1 ZINC001591883479 1167409170 /nfs/dbraw/zinc/40/91/70/1167409170.db2.gz PAHVKPJSNMJFMD-LBPRGKRZSA-N -1 1 312.337 0.530 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CC2(O)CCOCC2)c1 ZINC001591883306 1167409732 /nfs/dbraw/zinc/40/97/32/1167409732.db2.gz JEFKBXHYTBGGPZ-UHFFFAOYSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC2(O)CCOCC2)c1 ZINC001591883306 1167409733 /nfs/dbraw/zinc/40/97/33/1167409733.db2.gz JEFKBXHYTBGGPZ-UHFFFAOYSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@H]2[C@@H]2CCCO2)n1 ZINC001591888922 1167410470 /nfs/dbraw/zinc/41/04/70/1167410470.db2.gz UGFZJMMJYVGSTK-RYUDHWBXSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@H]2[C@@H]2CCCO2)n1 ZINC001591888922 1167410473 /nfs/dbraw/zinc/41/04/73/1167410473.db2.gz UGFZJMMJYVGSTK-RYUDHWBXSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CCS(C)(=O)=O)n1 ZINC001591892065 1167413368 /nfs/dbraw/zinc/41/33/68/1167413368.db2.gz UUUFKZIDTPIJRU-SSDOTTSWSA-N -1 1 311.371 0.200 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CCS(C)(=O)=O)n1 ZINC001591892065 1167413372 /nfs/dbraw/zinc/41/33/72/1167413372.db2.gz UUUFKZIDTPIJRU-SSDOTTSWSA-N -1 1 311.371 0.200 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCC[C@@H]2CCOC2=O)n1 ZINC001591898369 1167413486 /nfs/dbraw/zinc/41/34/86/1167413486.db2.gz QIIOMAJAMZQNQO-SECBINFHSA-N -1 1 303.326 0.720 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCC[C@@H]2CCOC2=O)n1 ZINC001591898369 1167413492 /nfs/dbraw/zinc/41/34/92/1167413492.db2.gz QIIOMAJAMZQNQO-SECBINFHSA-N -1 1 303.326 0.720 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@]3(C)COC[C@]3(C)C2)n1 ZINC001591890778 1167413650 /nfs/dbraw/zinc/41/36/50/1167413650.db2.gz NFSLJGPNDUXUEH-OKILXGFUSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@]3(C)COC[C@]3(C)C2)n1 ZINC001591890778 1167413654 /nfs/dbraw/zinc/41/36/54/1167413654.db2.gz NFSLJGPNDUXUEH-OKILXGFUSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1cc(=O)c(CO)nn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001591903501 1167416703 /nfs/dbraw/zinc/41/67/03/1167416703.db2.gz RKJTYJCLEZLWBA-UHFFFAOYSA-N -1 1 304.335 0.334 20 0 DCADMM Cc1cc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)cc(=O)[nH]1 ZINC001591966763 1167425197 /nfs/dbraw/zinc/42/51/97/1167425197.db2.gz KQQONTJBUCGZCF-UHFFFAOYSA-N -1 1 311.305 0.601 20 0 DCADMM Cc1cc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)cc(=O)[nH]1 ZINC001591966763 1167425201 /nfs/dbraw/zinc/42/52/01/1167425201.db2.gz KQQONTJBUCGZCF-UHFFFAOYSA-N -1 1 311.305 0.601 20 0 DCADMM Cc1cc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)on1 ZINC001591970821 1167427765 /nfs/dbraw/zinc/42/77/65/1167427765.db2.gz ZEEKIBMNEIDFHY-ZETCQYMHSA-N -1 1 304.270 0.059 20 0 DCADMM Cc1cc(N2CCC(OCCO)CC2)cc(-c2nnn[n-]2)n1 ZINC001592002515 1167432394 /nfs/dbraw/zinc/43/23/94/1167432394.db2.gz ZAEAHRVCUUKLCE-UHFFFAOYSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(N2CCC(OCCO)CC2)cc(-c2nn[n-]n2)n1 ZINC001592002515 1167432395 /nfs/dbraw/zinc/43/23/95/1167432395.db2.gz ZAEAHRVCUUKLCE-UHFFFAOYSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(N[C@@H](CO)C[C@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001592035676 1167441808 /nfs/dbraw/zinc/44/18/08/1167441808.db2.gz LGAWIQMADBLZEQ-VXGBXAGGSA-N -1 1 304.354 0.334 20 0 DCADMM Cc1cc(N[C@@H](CO)C[C@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001592035676 1167441812 /nfs/dbraw/zinc/44/18/12/1167441812.db2.gz LGAWIQMADBLZEQ-VXGBXAGGSA-N -1 1 304.354 0.334 20 0 DCADMM Cc1ccc(C(=O)Cn2cncc(-c3nn[n-]n3)c2=O)c(C)c1 ZINC001592115342 1167458964 /nfs/dbraw/zinc/45/89/64/1167458964.db2.gz CGYRHSWOIFQVTN-UHFFFAOYSA-N -1 1 310.317 0.923 20 0 DCADMM Cc1ccc([C@H](O)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592138684 1167463357 /nfs/dbraw/zinc/46/33/57/1167463357.db2.gz XPPZFODFJRPWIT-GXFFZTMASA-N -1 1 311.349 0.921 20 0 DCADMM Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1-c1nn[nH]n1 ZINC001592154618 1167463396 /nfs/dbraw/zinc/46/33/96/1167463396.db2.gz FKBFKNJFGDDGFR-LBPRGKRZSA-N -1 1 314.349 0.812 20 0 DCADMM Cc1ccc(CN(CCO)c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001592153038 1167464335 /nfs/dbraw/zinc/46/43/35/1167464335.db2.gz XTFVKDLGHUSDKH-UHFFFAOYSA-N -1 1 311.349 0.964 20 0 DCADMM Cc1ccc(CN(CCO)c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001592153038 1167464340 /nfs/dbraw/zinc/46/43/40/1167464340.db2.gz XTFVKDLGHUSDKH-UHFFFAOYSA-N -1 1 311.349 0.964 20 0 DCADMM Cc1cccnc1-c1noc([C@@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001592260762 1167480520 /nfs/dbraw/zinc/48/05/20/1167480520.db2.gz IFNBWBIIDCIEAD-MRVPVSSYSA-N -1 1 324.308 0.821 20 0 DCADMM Cc1ccn2cc(CNc3ccnc(-c4nn[n-]n4)n3)nc2c1 ZINC001592270314 1167480611 /nfs/dbraw/zinc/48/06/11/1167480611.db2.gz ZFSOFTIPWIPJGX-UHFFFAOYSA-N -1 1 307.321 0.647 20 0 DCADMM Cc1ccoc1CN(C)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592282494 1167484930 /nfs/dbraw/zinc/48/49/30/1167484930.db2.gz VIUMGVPEGHUPLD-VIFPVBQESA-N -1 1 316.325 0.579 20 0 DCADMM Cc1cnc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)nc1 ZINC001592295775 1167485695 /nfs/dbraw/zinc/48/56/95/1167485695.db2.gz NUHSLGQXODNHMJ-UHFFFAOYSA-N -1 1 309.333 0.664 20 0 DCADMM Cc1[nH]nc(NC(=O)C(=O)N2CCC(C)CC2)c1-c1nn[n-]n1 ZINC001592328092 1167489676 /nfs/dbraw/zinc/48/96/76/1167489676.db2.gz PUZVHYYNFVURLH-UHFFFAOYSA-N -1 1 318.341 0.095 20 0 DCADMM Cc1[nH]nc(NC(=O)COc2ccc(O)cc2)c1-c1nn[n-]n1 ZINC001592328816 1167491441 /nfs/dbraw/zinc/49/14/41/1167491441.db2.gz XXWCULVJXIFSCO-UHFFFAOYSA-N -1 1 315.293 0.621 20 0 DCADMM Cc1nc(-c2nn[nH]n2)c(-n2[n-]c([C@H]3CCOC3)cc2=O)o1 ZINC001592337386 1167492836 /nfs/dbraw/zinc/49/28/36/1167492836.db2.gz UWFYJUXMQFOTGL-ZETCQYMHSA-N -1 1 303.282 0.292 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCN(c3cnccn3)CC2)n1 ZINC001592341509 1167495572 /nfs/dbraw/zinc/49/55/72/1167495572.db2.gz USDDOUHJBKMKSV-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCN(c3cnccn3)CC2)n1 ZINC001592341509 1167495575 /nfs/dbraw/zinc/49/55/75/1167495575.db2.gz USDDOUHJBKMKSV-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)sc1C ZINC001592376657 1167508198 /nfs/dbraw/zinc/50/81/98/1167508198.db2.gz HQLVWZQLXPQJKP-ZCFIWIBFSA-N -1 1 319.354 0.731 20 0 DCADMM Cc1nc(N[C@H]2CCC3(C2)OCCO3)cc(-c2nnn[n-]2)n1 ZINC001592382285 1167508993 /nfs/dbraw/zinc/50/89/93/1167508993.db2.gz MBYSZNSFYRSGLG-VIFPVBQESA-N -1 1 303.326 0.673 20 0 DCADMM Cc1nc(N[C@H]2CCC3(C2)OCCO3)cc(-c2nn[n-]n2)n1 ZINC001592382285 1167508998 /nfs/dbraw/zinc/50/89/98/1167508998.db2.gz MBYSZNSFYRSGLG-VIFPVBQESA-N -1 1 303.326 0.673 20 0 DCADMM Cc1nc(NCC2([S@](C)=O)CCC2)cc(-c2nnn[n-]2)n1 ZINC001592388794 1167512961 /nfs/dbraw/zinc/51/29/61/1167512961.db2.gz ZYIFOXQHXQYFKJ-NRFANRHFSA-N -1 1 307.383 0.678 20 0 DCADMM Cc1nc(NCC2([S@](C)=O)CCC2)cc(-c2nn[n-]n2)n1 ZINC001592388794 1167512963 /nfs/dbraw/zinc/51/29/63/1167512963.db2.gz ZYIFOXQHXQYFKJ-NRFANRHFSA-N -1 1 307.383 0.678 20 0 DCADMM Cc1nccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)n1 ZINC001592415898 1167518000 /nfs/dbraw/zinc/51/80/00/1167518000.db2.gz QRETVYGGPXOWKA-UHFFFAOYSA-N -1 1 311.309 0.818 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC001592415494 1167518077 /nfs/dbraw/zinc/51/80/77/1167518077.db2.gz DPSHXNOGDBHAHP-LBPRGKRZSA-N -1 1 320.393 0.840 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnn3cccnc23)c1-c1nnn[n-]1 ZINC001592433143 1167519460 /nfs/dbraw/zinc/51/94/60/1167519460.db2.gz RXZAOXYRDNOAEF-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnn3cccnc23)c1-c1nn[n-]n1 ZINC001592433143 1167519462 /nfs/dbraw/zinc/51/94/62/1167519462.db2.gz RXZAOXYRDNOAEF-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC001592427944 1167519817 /nfs/dbraw/zinc/51/98/17/1167519817.db2.gz XFBDBEMISKYRBI-NSHDSACASA-N -1 1 314.353 0.758 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](O)CNc1cccc(-c2nn[n-]n2)n1 ZINC001592427944 1167519821 /nfs/dbraw/zinc/51/98/21/1167519821.db2.gz XFBDBEMISKYRBI-NSHDSACASA-N -1 1 314.353 0.758 20 0 DCADMM Cc1nn(C)c(C)c1OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592430482 1167520452 /nfs/dbraw/zinc/52/04/52/1167520452.db2.gz IZFAOAHWMKHWTL-UHFFFAOYSA-N -1 1 313.321 0.760 20 0 DCADMM Cc1nn(C)c(C)c1OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592430482 1167520458 /nfs/dbraw/zinc/52/04/58/1167520458.db2.gz IZFAOAHWMKHWTL-UHFFFAOYSA-N -1 1 313.321 0.760 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCC(=O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592442232 1167524684 /nfs/dbraw/zinc/52/46/84/1167524684.db2.gz JXFBBJOVIDSBFT-APPZFPTMSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCC(=O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592442232 1167524692 /nfs/dbraw/zinc/52/46/92/1167524692.db2.gz JXFBBJOVIDSBFT-APPZFPTMSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2ccsc2-c2nnn[n-]2)o1 ZINC001592442270 1167525166 /nfs/dbraw/zinc/52/51/66/1167525166.db2.gz AKOVIJJRDIPHEA-UHFFFAOYSA-N -1 1 305.323 0.892 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2ccsc2-c2nn[n-]n2)o1 ZINC001592442270 1167525167 /nfs/dbraw/zinc/52/51/67/1167525167.db2.gz AKOVIJJRDIPHEA-UHFFFAOYSA-N -1 1 305.323 0.892 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC001592442669 1167525212 /nfs/dbraw/zinc/52/52/12/1167525212.db2.gz UXYSGJKWINHQRX-UHFFFAOYSA-N -1 1 300.282 0.225 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC001592442669 1167525213 /nfs/dbraw/zinc/52/52/13/1167525213.db2.gz UXYSGJKWINHQRX-UHFFFAOYSA-N -1 1 300.282 0.225 20 0 DCADMM Cc1noc(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001592461248 1167530375 /nfs/dbraw/zinc/53/03/75/1167530375.db2.gz PRSFZWFVOLITJV-UHFFFAOYSA-N -1 1 313.325 0.732 20 0 DCADMM Cc1noc(CN(C)C(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001592462033 1167532935 /nfs/dbraw/zinc/53/29/35/1167532935.db2.gz UMYQBSNGAJXLKL-UHFFFAOYSA-N -1 1 305.323 0.892 20 0 DCADMM Cc1noc(CN(C)C(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001592462033 1167532943 /nfs/dbraw/zinc/53/29/43/1167532943.db2.gz UMYQBSNGAJXLKL-UHFFFAOYSA-N -1 1 305.323 0.892 20 0 DCADMM Cc1nsc(N2CC[S@](=O)C[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592476518 1167535246 /nfs/dbraw/zinc/53/52/46/1167535246.db2.gz QUUXUUQEKUAMOC-JKNYTWMOSA-N -1 1 312.424 0.836 20 0 DCADMM Cc1nsc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1-c1nn[n-]n1 ZINC001592474433 1167535281 /nfs/dbraw/zinc/53/52/81/1167535281.db2.gz JZDONYSVACBNPI-RKDXNWHRSA-N -1 1 319.394 0.737 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592480256 1167535357 /nfs/dbraw/zinc/53/53/57/1167535357.db2.gz VQKUAPVAFFCXOK-XPUUQOCRSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592480256 1167535365 /nfs/dbraw/zinc/53/53/65/1167535365.db2.gz VQKUAPVAFFCXOK-XPUUQOCRSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1[nH]sc(=NC(=O)NN2CCCNC2=O)c1-c1nn[n-]n1 ZINC001592483298 1167536515 /nfs/dbraw/zinc/53/65/15/1167536515.db2.gz HXSDHORREGWTQL-UHFFFAOYSA-N -1 1 323.342 0.083 20 0 DCADMM Cc1nsc(NCC[C@@H]2CC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC001592490736 1167537268 /nfs/dbraw/zinc/53/72/68/1167537268.db2.gz JEVOLRDOWACIPH-MRVPVSSYSA-N -1 1 307.383 0.912 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1nccn1C ZINC001592494947 1167537478 /nfs/dbraw/zinc/53/74/78/1167537478.db2.gz GLWWNCGXUPIPIP-UHFFFAOYSA-N -1 1 301.310 0.774 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1nccn1C ZINC001592494947 1167537486 /nfs/dbraw/zinc/53/74/86/1167537486.db2.gz GLWWNCGXUPIPIP-UHFFFAOYSA-N -1 1 301.310 0.774 20 0 DCADMM Cc1nsc(N[C@H]2CC(=O)N(C3CC3)C2)c1-c1nn[n-]n1 ZINC001592483640 1167537865 /nfs/dbraw/zinc/53/78/65/1167537865.db2.gz ZEXWHAUOLLBRLH-ZETCQYMHSA-N -1 1 305.367 0.807 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@H](C)[S@](C)=O ZINC001592502198 1167541935 /nfs/dbraw/zinc/54/19/35/1167541935.db2.gz MCFDXPRMFZOWEB-QFWYVNQISA-N -1 1 311.367 0.655 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@@H](C)[S@](C)=O ZINC001592502198 1167541941 /nfs/dbraw/zinc/54/19/41/1167541941.db2.gz MCFDXPRMFZOWEB-QFWYVNQISA-N -1 1 311.367 0.655 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1CCC(=O)N(C)C1 ZINC001592504229 1167544205 /nfs/dbraw/zinc/54/42/05/1167544205.db2.gz ZKTDNYVUYXTQCO-VIFPVBQESA-N -1 1 319.321 0.793 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1CCC(=O)N(C)C1 ZINC001592504229 1167544213 /nfs/dbraw/zinc/54/42/13/1167544213.db2.gz ZKTDNYVUYXTQCO-VIFPVBQESA-N -1 1 319.321 0.793 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H](C)c2ncon2)c1-c1nnn[n-]1 ZINC001592517802 1167548196 /nfs/dbraw/zinc/54/81/96/1167548196.db2.gz RRVRIUMTQSDRJV-ZCFIWIBFSA-N -1 1 318.297 0.009 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H](C)c2ncon2)c1-c1nn[n-]n1 ZINC001592517802 1167548200 /nfs/dbraw/zinc/54/82/00/1167548200.db2.gz RRVRIUMTQSDRJV-ZCFIWIBFSA-N -1 1 318.297 0.009 20 0 DCADMM Cc1onc(CO)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592517092 1167548396 /nfs/dbraw/zinc/54/83/96/1167548396.db2.gz RVNPHWPVRVZDIG-UHFFFAOYSA-N -1 1 316.277 0.613 20 0 DCADMM Clc1ccc(OCCNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001592533797 1167550495 /nfs/dbraw/zinc/55/04/95/1167550495.db2.gz WADDKIMERVZSPY-UHFFFAOYSA-N -1 1 318.728 0.618 20 0 DCADMM Cn1c(=O)[nH]c(Nc2ccc3[nH]ccc3c2)c(-c2nn[n-]n2)c1=O ZINC001592545426 1167551284 /nfs/dbraw/zinc/55/12/84/1167551284.db2.gz WLRLZMQZYCPQLG-UHFFFAOYSA-N -1 1 324.304 0.891 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H]2C(F)(F)F)n1 ZINC001592559455 1167560029 /nfs/dbraw/zinc/56/00/29/1167560029.db2.gz RETNCGJMNYDJGH-LURJTMIESA-N -1 1 316.247 0.769 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H]2C(F)(F)F)n1 ZINC001592559455 1167560033 /nfs/dbraw/zinc/56/00/33/1167560033.db2.gz RETNCGJMNYDJGH-LURJTMIESA-N -1 1 316.247 0.769 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@](C)(CO)C2)n1 ZINC001592559327 1167560798 /nfs/dbraw/zinc/56/07/98/1167560798.db2.gz JKYFYVMYJYWUCI-CYBMUJFWSA-N -1 1 320.357 0.227 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@](C)(CO)C2)n1 ZINC001592559327 1167560805 /nfs/dbraw/zinc/56/08/05/1167560805.db2.gz JKYFYVMYJYWUCI-CYBMUJFWSA-N -1 1 320.357 0.227 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@](C)(CO)C2)n1 ZINC001592559328 1167561363 /nfs/dbraw/zinc/56/13/63/1167561363.db2.gz JKYFYVMYJYWUCI-ZDUSSCGKSA-N -1 1 320.357 0.227 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@](C)(CO)C2)n1 ZINC001592559328 1167561367 /nfs/dbraw/zinc/56/13/67/1167561367.db2.gz JKYFYVMYJYWUCI-ZDUSSCGKSA-N -1 1 320.357 0.227 20 0 DCADMM Cn1cc(CCNC(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001592569098 1167566217 /nfs/dbraw/zinc/56/62/17/1167566217.db2.gz GWUBBQNSHBYLEC-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1cc(CCNC(=O)c2ccsc2-c2nn[n-]n2)cn1 ZINC001592569098 1167566223 /nfs/dbraw/zinc/56/62/23/1167566223.db2.gz GWUBBQNSHBYLEC-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1nc(CCNc2ccnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001592595138 1167576061 /nfs/dbraw/zinc/57/60/61/1167576061.db2.gz HWDPBNXUFDKKFU-UHFFFAOYSA-N -1 1 321.348 0.620 20 0 DCADMM FC(F)CN1CC[C@@H](CNc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592624310 1167587333 /nfs/dbraw/zinc/58/73/33/1167587333.db2.gz LXOHCSSCRNROLS-VIFPVBQESA-N -1 1 309.324 0.683 20 0 DCADMM FC(F)CN1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592624310 1167587339 /nfs/dbraw/zinc/58/73/39/1167587339.db2.gz LXOHCSSCRNROLS-VIFPVBQESA-N -1 1 309.324 0.683 20 0 DCADMM FC(F)Oc1cc(CNc2ccnc(-c3nn[n-]n3)n2)ccn1 ZINC001592626145 1167587558 /nfs/dbraw/zinc/58/75/58/1167587558.db2.gz IGTNEKGSTOVRES-UHFFFAOYSA-N -1 1 320.263 0.687 20 0 DCADMM NC(=O)CC1(CNc2ccnc(-c3nnn[n-]3)c2)CCCCC1 ZINC001592724749 1167613145 /nfs/dbraw/zinc/61/31/45/1167613145.db2.gz RJVHPFRQWVUSBZ-UHFFFAOYSA-N -1 1 315.381 0.921 20 0 DCADMM NC(=O)CC1(CNc2ccnc(-c3nn[n-]n3)c2)CCCCC1 ZINC001592724749 1167613149 /nfs/dbraw/zinc/61/31/49/1167613149.db2.gz RJVHPFRQWVUSBZ-UHFFFAOYSA-N -1 1 315.381 0.921 20 0 DCADMM NC(=O)c1cc(NC(=O)c2ccsc2-c2nnn[n-]2)n[nH]1 ZINC001592735448 1167620628 /nfs/dbraw/zinc/62/06/28/1167620628.db2.gz QNXSKVMJAYBDKK-UHFFFAOYSA-N -1 1 304.295 0.003 20 0 DCADMM NC(=O)c1cc(NC(=O)c2ccsc2-c2nn[n-]n2)n[nH]1 ZINC001592735448 1167620631 /nfs/dbraw/zinc/62/06/31/1167620631.db2.gz QNXSKVMJAYBDKK-UHFFFAOYSA-N -1 1 304.295 0.003 20 0 DCADMM NC(=O)c1cccc(CSc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001592736700 1167623452 /nfs/dbraw/zinc/62/34/52/1167623452.db2.gz MIMVKCLYWCPHAW-UHFFFAOYSA-N -1 1 314.334 0.443 20 0 DCADMM NC(=O)c1cccc(CSc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001592736700 1167623463 /nfs/dbraw/zinc/62/34/63/1167623463.db2.gz MIMVKCLYWCPHAW-UHFFFAOYSA-N -1 1 314.334 0.443 20 0 DCADMM Nc1n[nH]c(CCCNc2cc(F)ncn2)c1-c1nn[n-]n1 ZINC001592752124 1167631296 /nfs/dbraw/zinc/63/12/96/1167631296.db2.gz OCTIHDPELFHCCW-UHFFFAOYSA-N -1 1 304.293 0.146 20 0 DCADMM Nc1cc(C2CCN(c3ncncc3-c3nn[n-]n3)CC2)[nH]n1 ZINC001592759361 1167635306 /nfs/dbraw/zinc/63/53/06/1167635306.db2.gz XIVJJMXXHVRQRH-UHFFFAOYSA-N -1 1 312.341 0.346 20 0 DCADMM O=C(C1CCC1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592778596 1167643107 /nfs/dbraw/zinc/64/31/07/1167643107.db2.gz IDRHIXKVQLPRCS-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CCC1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592778596 1167643112 /nfs/dbraw/zinc/64/31/12/1167643112.db2.gz IDRHIXKVQLPRCS-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(COc1ccc(-c2nn[nH]n2)cc1)Nc1c[n-][nH]c1=O ZINC001592889320 1167659329 /nfs/dbraw/zinc/65/93/29/1167659329.db2.gz IQHFWDHTGNCBPG-UHFFFAOYSA-N -1 1 301.266 0.313 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCCOC1CCC1 ZINC001592914707 1167663200 /nfs/dbraw/zinc/66/32/00/1167663200.db2.gz HZFKFTDJSSKIAK-UHFFFAOYSA-N -1 1 303.322 0.917 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCCOC1CCC1 ZINC001592914707 1167663203 /nfs/dbraw/zinc/66/32/03/1167663203.db2.gz HZFKFTDJSSKIAK-UHFFFAOYSA-N -1 1 303.322 0.917 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC1([C@H]2CCOC2)CC1 ZINC001592914821 1167666443 /nfs/dbraw/zinc/66/64/43/1167666443.db2.gz KXAKUELNOQDDKP-NSHDSACASA-N -1 1 315.333 0.917 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC1([C@H]2CCOC2)CC1 ZINC001592914821 1167666447 /nfs/dbraw/zinc/66/64/47/1167666447.db2.gz KXAKUELNOQDDKP-NSHDSACASA-N -1 1 315.333 0.917 20 0 DCADMM O=C(N[C@H](CO)[C@@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001592954272 1167674714 /nfs/dbraw/zinc/67/47/14/1167674714.db2.gz XVBHNOZEDDRNRH-VXNVDRBHSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@H]1CCn2ccnc2C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592997139 1167682161 /nfs/dbraw/zinc/68/21/61/1167682161.db2.gz SVXVUUKPFMZGDY-JTQLQIEISA-N -1 1 310.321 0.203 20 0 DCADMM O=C(N[C@H]1CCn2ccnc2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592997139 1167682166 /nfs/dbraw/zinc/68/21/66/1167682166.db2.gz SVXVUUKPFMZGDY-JTQLQIEISA-N -1 1 310.321 0.203 20 0 DCADMM O=C(NC[C@@H](O)c1cccnc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593013958 1167688221 /nfs/dbraw/zinc/68/82/21/1167688221.db2.gz QPGOVKZEXRIKCR-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NC[C@@H](O)c1cccnc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593013958 1167688226 /nfs/dbraw/zinc/68/82/26/1167688226.db2.gz QPGOVKZEXRIKCR-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NC[C@@H](O)c1ccncc1)c1coc(-c2nnn[n-]2)c1 ZINC001593013627 1167688370 /nfs/dbraw/zinc/68/83/70/1167688370.db2.gz HWSZUKFMOGZTAQ-SNVBAGLBSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@@H](O)c1ccncc1)c1coc(-c2nn[n-]n2)c1 ZINC001593013627 1167688374 /nfs/dbraw/zinc/68/83/74/1167688374.db2.gz HWSZUKFMOGZTAQ-SNVBAGLBSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NCC1(CO)CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593015332 1167688518 /nfs/dbraw/zinc/68/85/18/1167688518.db2.gz GVDSLYBNTDQRIL-UHFFFAOYSA-N -1 1 303.326 0.546 20 0 DCADMM O=C(NCC1(CO)CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593015332 1167688523 /nfs/dbraw/zinc/68/85/23/1167688523.db2.gz GVDSLYBNTDQRIL-UHFFFAOYSA-N -1 1 303.326 0.546 20 0 DCADMM O=C(NC[C@H]1CC2(CCC2)CO1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593028864 1167691182 /nfs/dbraw/zinc/69/11/82/1167691182.db2.gz SMIFCSMFELUANU-LLVKDONJSA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NC[C@H]1CC2(CCC2)CO1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593028864 1167691187 /nfs/dbraw/zinc/69/11/87/1167691187.db2.gz SMIFCSMFELUANU-LLVKDONJSA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NCCC[C@@H]1CCOC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593067366 1167697280 /nfs/dbraw/zinc/69/72/80/1167697280.db2.gz YUQRIASSHKLMRG-SNVBAGLBSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCC[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593067366 1167697284 /nfs/dbraw/zinc/69/72/84/1167697284.db2.gz YUQRIASSHKLMRG-SNVBAGLBSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCCn1ccc(-c2nn[n-]n2)cc1=O)C1CCCC1 ZINC001593081624 1167699818 /nfs/dbraw/zinc/69/98/18/1167699818.db2.gz CUJKZONGCVBPTH-UHFFFAOYSA-N -1 1 316.365 0.725 20 0 DCADMM O=C(NCCCNc1ncncc1-c1nn[n-]n1)C1CCC1 ZINC001593079799 1167700365 /nfs/dbraw/zinc/70/03/65/1167700365.db2.gz XCKXBAPVXCDEDU-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)[C@H]1CC=CCC1 ZINC001593091711 1167705810 /nfs/dbraw/zinc/70/58/10/1167705810.db2.gz KGHVFYQNPFXLKT-JTQLQIEISA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)[C@H]1CC=CCC1 ZINC001593091711 1167705818 /nfs/dbraw/zinc/70/58/18/1167705818.db2.gz KGHVFYQNPFXLKT-JTQLQIEISA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H]1COC(=O)C1 ZINC001593136233 1167721775 /nfs/dbraw/zinc/72/17/75/1167721775.db2.gz FKPCTAGGZSTSKH-LURJTMIESA-N -1 1 308.323 0.043 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NCC1(CO)CC1 ZINC001593137499 1167722037 /nfs/dbraw/zinc/72/20/37/1167722037.db2.gz GFEQSAXGEYQXNN-UHFFFAOYSA-N -1 1 308.367 0.500 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001593146014 1167722465 /nfs/dbraw/zinc/72/24/65/1167722465.db2.gz FERBWFAIFKXBCW-WAPUPBOZSA-N -1 1 312.333 0.301 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001593146014 1167722471 /nfs/dbraw/zinc/72/24/71/1167722471.db2.gz FERBWFAIFKXBCW-WAPUPBOZSA-N -1 1 312.333 0.301 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N1CCC[C@@H](F)C1 ZINC001593150615 1167725873 /nfs/dbraw/zinc/72/58/73/1167725873.db2.gz YIRPNARRIFGERP-SSDOTTSWSA-N -1 1 311.346 0.967 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N1CCC[C@@H](F)C1 ZINC001593150615 1167725875 /nfs/dbraw/zinc/72/58/75/1167725875.db2.gz YIRPNARRIFGERP-SSDOTTSWSA-N -1 1 311.346 0.967 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CCc2ccccc2O1 ZINC001593197886 1167734152 /nfs/dbraw/zinc/73/41/52/1167734152.db2.gz QIMFGIQYKUWZAY-NSHDSACASA-N -1 1 311.305 0.922 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CCc2ccccc2O1 ZINC001593197886 1167734160 /nfs/dbraw/zinc/73/41/60/1167734160.db2.gz QIMFGIQYKUWZAY-NSHDSACASA-N -1 1 311.305 0.922 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CCOC2(CCC2)C1 ZINC001593197154 1167734297 /nfs/dbraw/zinc/73/42/97/1167734297.db2.gz FZOCYRZBUSNDPE-MRVPVSSYSA-N -1 1 303.326 0.878 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CCOC2(CCC2)C1 ZINC001593197154 1167734308 /nfs/dbraw/zinc/73/43/08/1167734308.db2.gz FZOCYRZBUSNDPE-MRVPVSSYSA-N -1 1 303.326 0.878 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccn(CC(F)F)n1 ZINC001593199633 1167735535 /nfs/dbraw/zinc/73/55/35/1167735535.db2.gz PPHNCNLQMHRLHX-UHFFFAOYSA-N -1 1 309.240 0.304 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccn(CC(F)F)n1 ZINC001593199633 1167735540 /nfs/dbraw/zinc/73/55/40/1167735540.db2.gz PPHNCNLQMHRLHX-UHFFFAOYSA-N -1 1 309.240 0.304 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H](O)c1ccc(Cl)cc1 ZINC001593197588 1167736250 /nfs/dbraw/zinc/73/62/50/1167736250.db2.gz MOXYQWKIUOOIKL-SECBINFHSA-N -1 1 319.712 0.915 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H](O)c1ccc(Cl)cc1 ZINC001593197588 1167736258 /nfs/dbraw/zinc/73/62/58/1167736258.db2.gz MOXYQWKIUOOIKL-SECBINFHSA-N -1 1 319.712 0.915 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cc[nH]c(=O)c1 ZINC001593197649 1167736678 /nfs/dbraw/zinc/73/66/78/1167736678.db2.gz UZKOFCPSWOWSNM-UHFFFAOYSA-N -1 1 312.293 0.820 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H](CO)CC1CC1 ZINC001593243844 1167744034 /nfs/dbraw/zinc/74/40/34/1167744034.db2.gz JBODQCAPOAGRIJ-SECBINFHSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H](CO)CC1CC1 ZINC001593243844 1167744042 /nfs/dbraw/zinc/74/40/42/1167744042.db2.gz JBODQCAPOAGRIJ-SECBINFHSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCO[C@H](C2CC2)C1 ZINC001593243485 1167744130 /nfs/dbraw/zinc/74/41/30/1167744130.db2.gz CZLWDABNPYQHFW-NSHDSACASA-N -1 1 315.337 0.904 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCO[C@H](C2CC2)C1 ZINC001593243485 1167744136 /nfs/dbraw/zinc/74/41/36/1167744136.db2.gz CZLWDABNPYQHFW-NSHDSACASA-N -1 1 315.337 0.904 20 0 DCADMM O=C(OC[C@@H]1CCCNC1=O)c1csc(-c2nnn[n-]2)c1 ZINC001593284876 1167757846 /nfs/dbraw/zinc/75/78/46/1167757846.db2.gz UZHJWQXXEUKWFS-ZETCQYMHSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OC[C@@H]1CCCNC1=O)c1csc(-c2nn[n-]n2)c1 ZINC001593284876 1167757855 /nfs/dbraw/zinc/75/78/55/1167757855.db2.gz UZHJWQXXEUKWFS-ZETCQYMHSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@@H]2O1)c1sccc1-c1nn[n-]n1 ZINC001593285273 1167758599 /nfs/dbraw/zinc/75/85/99/1167758599.db2.gz ROAGCINTBUDFMX-NRPADANISA-N -1 1 322.346 0.889 20 0 DCADMM O=C(OCCC1OCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593288259 1167760845 /nfs/dbraw/zinc/76/08/45/1167760845.db2.gz XNGDXAIUKYROJF-UHFFFAOYSA-N -1 1 308.269 0.926 20 0 DCADMM O=C(OCCC1OCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593288259 1167760852 /nfs/dbraw/zinc/76/08/52/1167760852.db2.gz XNGDXAIUKYROJF-UHFFFAOYSA-N -1 1 308.269 0.926 20 0 DCADMM O=C(OCc1cc2n(n1)CCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593294157 1167763308 /nfs/dbraw/zinc/76/33/08/1167763308.db2.gz ONPHLNNPQBFUSX-UHFFFAOYSA-N -1 1 300.278 0.959 20 0 DCADMM O=C(OCc1cc2n(n1)CCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593294157 1167763314 /nfs/dbraw/zinc/76/33/14/1167763314.db2.gz ONPHLNNPQBFUSX-UHFFFAOYSA-N -1 1 300.278 0.959 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1C[C@H]2C[C@@]2(CO)C1 ZINC001593329555 1167776596 /nfs/dbraw/zinc/77/65/96/1167776596.db2.gz QNHWRASNEQKJRO-CLAHSXSESA-N -1 1 321.287 0.599 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1C[C@H]2C[C@@]2(CO)C1 ZINC001593329555 1167776603 /nfs/dbraw/zinc/77/66/03/1167776603.db2.gz QNHWRASNEQKJRO-CLAHSXSESA-N -1 1 321.287 0.599 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001593338096 1167778415 /nfs/dbraw/zinc/77/84/15/1167778415.db2.gz KMDFXJGRNVIRTQ-DTWKUNHWSA-N -1 1 321.362 0.558 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001593338096 1167778422 /nfs/dbraw/zinc/77/84/22/1167778422.db2.gz KMDFXJGRNVIRTQ-DTWKUNHWSA-N -1 1 321.362 0.558 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@](O)(C2CC2)C1 ZINC001593339740 1167782295 /nfs/dbraw/zinc/78/22/95/1167782295.db2.gz VFYIJPKGTNWRRB-ZDUSSCGKSA-N -1 1 305.363 0.915 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@](O)(C2CC2)C1 ZINC001593339740 1167782304 /nfs/dbraw/zinc/78/23/04/1167782304.db2.gz VFYIJPKGTNWRRB-ZDUSSCGKSA-N -1 1 305.363 0.915 20 0 DCADMM O=C1C[C@H]([C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CN1 ZINC001593382827 1167794571 /nfs/dbraw/zinc/79/45/71/1167794571.db2.gz IGZQCQKAWRFOPX-ONGXEEELSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1C[C@H]([C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CN1 ZINC001593382827 1167794581 /nfs/dbraw/zinc/79/45/81/1167794581.db2.gz IGZQCQKAWRFOPX-ONGXEEELSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1NCCC2(CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)O1 ZINC001593405608 1167814678 /nfs/dbraw/zinc/81/46/78/1167814678.db2.gz XIVLUQUKORTQDY-UHFFFAOYSA-N -1 1 315.337 0.731 20 0 DCADMM O=C1NCCC2(CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)O1 ZINC001593405608 1167814694 /nfs/dbraw/zinc/81/46/94/1167814694.db2.gz XIVLUQUKORTQDY-UHFFFAOYSA-N -1 1 315.337 0.731 20 0 DCADMM O=C1[C@H]2CCCCN2C(=O)N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593413060 1167829427 /nfs/dbraw/zinc/82/94/27/1167829427.db2.gz HOMWYUUQLRPYMF-MRVPVSSYSA-N -1 1 319.350 0.640 20 0 DCADMM O=C1[C@H]2CCCCN2C(=O)N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593413060 1167829443 /nfs/dbraw/zinc/82/94/43/1167829443.db2.gz HOMWYUUQLRPYMF-MRVPVSSYSA-N -1 1 319.350 0.640 20 0 DCADMM O=Cc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)co1 ZINC001593415853 1167830507 /nfs/dbraw/zinc/83/05/07/1167830507.db2.gz IDLJHIJPIMRWDU-UHFFFAOYSA-N -1 1 304.291 0.659 20 0 DCADMM O=Cc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)co1 ZINC001593415853 1167830522 /nfs/dbraw/zinc/83/05/22/1167830522.db2.gz IDLJHIJPIMRWDU-UHFFFAOYSA-N -1 1 304.291 0.659 20 0 DCADMM O=S(=O)(NC/C=C\Cl)c1cccnc1-c1nn[n-]n1 ZINC001593439114 1167842003 /nfs/dbraw/zinc/84/20/03/1167842003.db2.gz RLJDQHAOTJXXIV-RQOWECAXSA-N -1 1 300.731 0.293 20 0 DCADMM O=S(=O)(Oc1ccc(F)nc1-c1nn[n-]n1)c1cccnc1 ZINC001593448652 1167843746 /nfs/dbraw/zinc/84/37/46/1167843746.db2.gz XDAGVDCXVWQFFI-UHFFFAOYSA-N -1 1 322.281 0.564 20 0 DCADMM O=c1[nH]cccc1NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001593446102 1167845442 /nfs/dbraw/zinc/84/54/42/1167845442.db2.gz ZEHNDOXNGPJJRL-UHFFFAOYSA-N -1 1 324.347 0.830 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H]1C1CC1 ZINC001593452536 1167846744 /nfs/dbraw/zinc/84/67/44/1167846744.db2.gz XNSODMDXNHJSQN-NSHDSACASA-N -1 1 306.351 0.435 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H]1C1CC1 ZINC001593452536 1167846752 /nfs/dbraw/zinc/84/67/52/1167846752.db2.gz XNSODMDXNHJSQN-NSHDSACASA-N -1 1 306.351 0.435 20 0 DCADMM O=S1(=O)CCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001593463060 1167852489 /nfs/dbraw/zinc/85/24/89/1167852489.db2.gz KQPNBJWKUUOKHZ-MRVPVSSYSA-N -1 1 309.355 0.036 20 0 DCADMM O=S1(=O)CCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001593463060 1167852500 /nfs/dbraw/zinc/85/25/00/1167852500.db2.gz KQPNBJWKUUOKHZ-MRVPVSSYSA-N -1 1 309.355 0.036 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CC1CCC(F)(F)CC1 ZINC001593489752 1167871012 /nfs/dbraw/zinc/87/10/12/1167871012.db2.gz YVUAODBXIYETAM-UHFFFAOYSA-N -1 1 312.280 0.955 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@H]1CCC2(CCC2)O1 ZINC001593489738 1167871547 /nfs/dbraw/zinc/87/15/47/1167871547.db2.gz YGSOTNQNFQACMP-MRVPVSSYSA-N -1 1 304.310 0.231 20 0 DCADMM O=C1N=NC(c2ccccn2)N1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593489921 1167873785 /nfs/dbraw/zinc/87/37/85/1167873785.db2.gz OJODTRHNYOCYIT-UHFFFAOYSA-N -1 1 310.277 0.867 20 0 DCADMM O=C1N=NC(c2ccccn2)N1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593489921 1167873792 /nfs/dbraw/zinc/87/37/92/1167873792.db2.gz OJODTRHNYOCYIT-UHFFFAOYSA-N -1 1 310.277 0.867 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCOCC1CC1)CCC2 ZINC001593492494 1167875679 /nfs/dbraw/zinc/87/56/79/1167875679.db2.gz RMVLUQKABTZSFN-UHFFFAOYSA-N -1 1 301.350 0.944 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1nc(-c2ccco2)no1 ZINC001593494206 1167875855 /nfs/dbraw/zinc/87/58/55/1167875855.db2.gz KEASRPZCSRGRSV-UHFFFAOYSA-N -1 1 312.249 0.115 20 0 DCADMM O=c1[n-]nc([C@@H]2CCCN(c3nccnc3-c3nn[nH]n3)C2)o1 ZINC001593489941 1167875958 /nfs/dbraw/zinc/87/59/58/1167875958.db2.gz PFYWWQCGHCRALD-SSDOTTSWSA-N -1 1 315.297 0.129 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1CCOCC(F)(F)C(F)F ZINC001593493530 1167877586 /nfs/dbraw/zinc/87/75/86/1167877586.db2.gz JIONKNAVHPYZET-UHFFFAOYSA-N -1 1 321.234 0.945 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc(CO)ccc1F ZINC001593495286 1167880851 /nfs/dbraw/zinc/88/08/51/1167880851.db2.gz SYQHAUOWQBVRQU-UHFFFAOYSA-N -1 1 301.281 0.708 20 0 DCADMM O=c1oc(-c2ccco2)nn1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593498269 1167881407 /nfs/dbraw/zinc/88/14/07/1167881407.db2.gz VYRNAWPMEIGOOI-UHFFFAOYSA-N -1 1 317.290 0.781 20 0 DCADMM O=c1oc(-c2ccco2)nn1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593498269 1167881410 /nfs/dbraw/zinc/88/14/10/1167881410.db2.gz VYRNAWPMEIGOOI-UHFFFAOYSA-N -1 1 317.290 0.781 20 0 DCADMM O[C@@H](CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1c[nH]cn1 ZINC001593506119 1167885702 /nfs/dbraw/zinc/88/57/02/1167885702.db2.gz GZGAUPXYHILEND-JTQLQIEISA-N -1 1 313.325 0.403 20 0 DCADMM O[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H]1CCCO1 ZINC001593508014 1167886427 /nfs/dbraw/zinc/88/64/27/1167886427.db2.gz WUYUETOCDPFEKC-WDSKDSINSA-N -1 1 316.774 0.928 20 0 DCADMM O[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCCO1 ZINC001593508014 1167886433 /nfs/dbraw/zinc/88/64/33/1167886433.db2.gz WUYUETOCDPFEKC-WDSKDSINSA-N -1 1 316.774 0.928 20 0 DCADMM OC1(C(F)F)CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001593509763 1167887832 /nfs/dbraw/zinc/88/78/32/1167887832.db2.gz RQOHTFUCJPPCNS-UHFFFAOYSA-N -1 1 316.337 0.915 20 0 DCADMM OC1(C(F)F)CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001593509763 1167887841 /nfs/dbraw/zinc/88/78/41/1167887841.db2.gz RQOHTFUCJPPCNS-UHFFFAOYSA-N -1 1 316.337 0.915 20 0 DCADMM O[C@H]1C[C@H]2C[C@@H](C1)N(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001593518396 1167891278 /nfs/dbraw/zinc/89/12/78/1167891278.db2.gz YCWCMUXZQLJKCM-MIMYLULJSA-N -1 1 313.365 0.884 20 0 DCADMM O[C@H]1C[C@H]2C[C@@H](C1)N(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001593518396 1167891286 /nfs/dbraw/zinc/89/12/86/1167891286.db2.gz YCWCMUXZQLJKCM-MIMYLULJSA-N -1 1 313.365 0.884 20 0 DCADMM O[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCc2ccccc21 ZINC001593517279 1167891463 /nfs/dbraw/zinc/89/14/63/1167891463.db2.gz ZLLSWAOCNAKFQP-HNNXBMFYSA-N -1 1 309.333 0.903 20 0 DCADMM O[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCc2ccccc21 ZINC001593517279 1167891467 /nfs/dbraw/zinc/89/14/67/1167891467.db2.gz ZLLSWAOCNAKFQP-HNNXBMFYSA-N -1 1 309.333 0.903 20 0 DCADMM OC1(CNc2ccnc(-c3nn[n-]n3)n2)CCC(F)(F)CC1 ZINC001593514016 1167892907 /nfs/dbraw/zinc/89/29/07/1167892907.db2.gz BMMHSDIPUQUDBU-UHFFFAOYSA-N -1 1 311.296 0.431 20 0 DCADMM OC[C@@H](CNc1ncncc1-c1nn[n-]n1)Cc1ccoc1 ZINC001593522938 1167898150 /nfs/dbraw/zinc/89/81/50/1167898150.db2.gz HZKHNXXAGROUDF-SNVBAGLBSA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCc2ccccc21 ZINC001593524663 1167900754 /nfs/dbraw/zinc/90/07/54/1167900754.db2.gz XTSOSLDGRHSHGE-INIZCTEOSA-N -1 1 323.360 0.945 20 0 DCADMM OC[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCc2ccccc21 ZINC001593524663 1167900757 /nfs/dbraw/zinc/90/07/57/1167900757.db2.gz XTSOSLDGRHSHGE-INIZCTEOSA-N -1 1 323.360 0.945 20 0 DCADMM O[C@H]1C[C@](Nc2ccnc(-c3nn[n-]n3)n2)(c2ccccc2)C1 ZINC001593538118 1167919978 /nfs/dbraw/zinc/91/99/78/1167919978.db2.gz VHNAIPFKVIYJOY-WGRBQBNCSA-N -1 1 309.333 0.541 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N2CCC3(CC2)COCCO3)c1 ZINC001593582907 1167949666 /nfs/dbraw/zinc/94/96/66/1167949666.db2.gz FQZPSTBAPMGYPU-UHFFFAOYSA-N -1 1 302.338 0.648 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N2CCC3(CC2)COCCO3)c1 ZINC001593582907 1167949667 /nfs/dbraw/zinc/94/96/67/1167949667.db2.gz FQZPSTBAPMGYPU-UHFFFAOYSA-N -1 1 302.338 0.648 20 0 DCADMM c1nc(-c2nn[n-]n2)nn1Cc1nnc(CC2CCCC2)o1 ZINC001593590018 1167951382 /nfs/dbraw/zinc/95/13/82/1167951382.db2.gz BXDMKDXYRTVPNL-UHFFFAOYSA-N -1 1 301.314 0.622 20 0 DCADMM c1sc(CNc2nc3ncccn3n2)nc1-c1nnn[n-]1 ZINC001593587333 1167952208 /nfs/dbraw/zinc/95/22/08/1167952208.db2.gz MICSBSYHJXTRAD-UHFFFAOYSA-N -1 1 300.311 0.373 20 0 DCADMM c1sc(CNc2nc3ncccn3n2)nc1-c1nn[n-]n1 ZINC001593587333 1167952213 /nfs/dbraw/zinc/95/22/13/1167952213.db2.gz MICSBSYHJXTRAD-UHFFFAOYSA-N -1 1 300.311 0.373 20 0 DCADMM c1ncc(-c2nnn[n-]2)nc1NCc1nc2c(s1)COCC2 ZINC001593593164 1167957928 /nfs/dbraw/zinc/95/79/28/1167957928.db2.gz MEBVLECFRRLKOL-UHFFFAOYSA-N -1 1 316.350 0.798 20 0 DCADMM c1ncc(-c2nn[n-]n2)nc1NCc1nc2c(s1)COCC2 ZINC001593593164 1167957934 /nfs/dbraw/zinc/95/79/34/1167957934.db2.gz MEBVLECFRRLKOL-UHFFFAOYSA-N -1 1 316.350 0.798 20 0 DCADMM Cn1ccn2c(CNC(=O)c3ccc([O-])c(F)c3)nnc2c1=O ZINC001593670409 1167959566 /nfs/dbraw/zinc/95/95/66/1167959566.db2.gz WDCJWQMOKSKDEN-UHFFFAOYSA-N -1 1 317.280 0.203 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)c1ccc2c(c1)nc[nH]c2=O ZINC001593863333 1167962599 /nfs/dbraw/zinc/96/25/99/1167962599.db2.gz KSGFOGZTZGCLNS-UHFFFAOYSA-N -1 1 311.305 0.658 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)COCc3ccccn3)nc2n1 ZINC001596088014 1167986428 /nfs/dbraw/zinc/98/64/28/1167986428.db2.gz IPEHFDQQTOBBNR-UHFFFAOYSA-N -1 1 314.305 0.276 20 0 DCADMM Cc1cc(C(=O)NC[C@H]2CN3CCN2CCC3)oc1C(=O)[O-] ZINC001600093605 1168117531 /nfs/dbraw/zinc/11/75/31/1168117531.db2.gz JOVVKUIAZHEBFS-NSHDSACASA-N -1 1 307.350 0.406 20 0 DCADMM Cc1cc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c(C)nn1 ZINC001600195709 1168135683 /nfs/dbraw/zinc/13/56/83/1168135683.db2.gz OQMAMLGSFQNVCF-MRXNPFEDSA-N -1 1 320.393 0.455 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC001600348958 1168170759 /nfs/dbraw/zinc/17/07/59/1168170759.db2.gz LELSXWIPZVTVQH-MNOVXSKESA-N -1 1 319.361 0.841 20 0 DCADMM Cc1ccc2nc(CNC(=O)N3CC(O)(C(=O)[O-])C3)[nH]c2c1 ZINC001600488594 1168192352 /nfs/dbraw/zinc/19/23/52/1168192352.db2.gz AEVGLPPMNHHQSQ-UHFFFAOYSA-N -1 1 304.306 0.212 20 0 DCADMM Cc1cccnc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600592397 1168205720 /nfs/dbraw/zinc/20/57/20/1168205720.db2.gz VQBSSIVAQKJRAD-ZFDPJTLLSA-N -1 1 300.318 0.938 20 0 DCADMM Cc1ccn2ncc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])c2c1 ZINC001600597106 1168208167 /nfs/dbraw/zinc/20/81/67/1168208167.db2.gz YJXUEYNYZBJVML-LBPRGKRZSA-N -1 1 313.317 0.792 20 0 DCADMM Cc1cn(C(C)(C)C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cn1 ZINC001600611913 1168212768 /nfs/dbraw/zinc/21/27/68/1168212768.db2.gz WUPXHERUOSZARI-ZDUSSCGKSA-N -1 1 322.409 0.934 20 0 DCADMM Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)s1 ZINC001600621452 1168216127 /nfs/dbraw/zinc/21/61/27/1168216127.db2.gz ZTMWNNVKEAPQGX-NAKRPEOUSA-N -1 1 309.391 0.909 20 0 DCADMM Cc1cncc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001600628115 1168219045 /nfs/dbraw/zinc/21/90/45/1168219045.db2.gz YBWVADDULYIEMI-XPABHHOTSA-N -1 1 315.373 0.657 20 0 DCADMM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001600639952 1168225990 /nfs/dbraw/zinc/22/59/90/1168225990.db2.gz RBYIPYIOQWZSJZ-SECBINFHSA-N -1 1 304.306 0.963 20 0 DCADMM Cc1nc(CC(=O)N2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)n[nH]1 ZINC001600670890 1168240082 /nfs/dbraw/zinc/24/00/82/1168240082.db2.gz BCVMCFVPXOCJEU-NSHDSACASA-N -1 1 320.280 0.674 20 0 DCADMM Cc1nc(CN2CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC2)n[nH]1 ZINC001600700406 1168256309 /nfs/dbraw/zinc/25/63/09/1168256309.db2.gz VUHBOQPNEXEGLB-SNVBAGLBSA-N -1 1 309.370 0.258 20 0 DCADMM Cc1ncc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001600736685 1168268478 /nfs/dbraw/zinc/26/84/78/1168268478.db2.gz DJILGLJPHVXIHG-RYUDHWBXSA-N -1 1 304.350 0.244 20 0 DCADMM Cc1nn(C(C)C)cc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600766368 1168283619 /nfs/dbraw/zinc/28/36/19/1168283619.db2.gz LVCFXSVNASHFCF-LBPRGKRZSA-N -1 1 305.338 0.921 20 0 DCADMM Cc1nn(C)c(Cl)c1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600772134 1168287149 /nfs/dbraw/zinc/28/71/49/1168287149.db2.gz KNZXRMOSALFQAQ-MRVPVSSYSA-N -1 1 311.729 0.531 20 0 DCADMM Cc1noc([C@H](C)NS(=O)(=O)c2occc2C(=O)[O-])n1 ZINC001600803808 1168300609 /nfs/dbraw/zinc/30/06/09/1168300609.db2.gz BBIUOCGYPMCCPF-YFKPBYRVSA-N -1 1 301.280 0.709 20 0 DCADMM Cc1oc(CNC(=O)NCCN2CC[C@H](O)C2)cc1C(=O)[O-] ZINC001600849360 1168485708 /nfs/dbraw/zinc/48/57/08/1168485708.db2.gz QFFFHTOCWDBHQE-JTQLQIEISA-N -1 1 311.338 0.152 20 0 DCADMM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)[C@H]1CNCCO1 ZINC001600909726 1168503281 /nfs/dbraw/zinc/50/32/81/1168503281.db2.gz BOOQUJOPQIRUMO-GXTWGEPZSA-N -1 1 321.377 0.765 20 0 DCADMM Cn1cc([C@H]2CCCN(Cc3cnc(C(=O)[O-])cn3)C2)nn1 ZINC001600945544 1168525046 /nfs/dbraw/zinc/52/50/46/1168525046.db2.gz YIEWSUNFVPPXJT-JTQLQIEISA-N -1 1 302.338 0.683 20 0 DCADMM Cn1cc(S(=O)(=O)Nc2ccc3nncn3c2)cc1C(=O)[O-] ZINC001600969932 1168536485 /nfs/dbraw/zinc/53/64/85/1168536485.db2.gz VQQAAGLRNRIOCP-UHFFFAOYSA-N -1 1 321.318 0.567 20 0 DCADMM Cn1ccn2c(C[N@H+]3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)nnc2c1=O ZINC001600980243 1168541983 /nfs/dbraw/zinc/54/19/83/1168541983.db2.gz CHXBJLSYXXXIOE-BMIGLBTASA-N -1 1 317.349 0.257 20 0 DCADMM Cn1ccn2c(CN3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)nnc2c1=O ZINC001600980243 1168541995 /nfs/dbraw/zinc/54/19/95/1168541995.db2.gz CHXBJLSYXXXIOE-BMIGLBTASA-N -1 1 317.349 0.257 20 0 DCADMM Cn1ccnc1CNCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCCC1 ZINC001600986450 1168546465 /nfs/dbraw/zinc/54/64/65/1168546465.db2.gz DAUBWIKDMGNDAG-VXGBXAGGSA-N -1 1 320.393 0.659 20 0 DCADMM Cn1cnnc1CN[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600995900 1168554041 /nfs/dbraw/zinc/55/40/41/1168554041.db2.gz LXFUQGRBSJVQMH-BJDJZHNGSA-N -1 1 321.381 0.053 20 0 DCADMM N=C1Nc2nc3ccccc3n2[C@H](c2cn(CC(=O)[O-])nn2)N1 ZINC001601178583 1168624863 /nfs/dbraw/zinc/62/48/63/1168624863.db2.gz SMPRCQFXGVIWJL-LLVKDONJSA-N -1 1 312.293 0.209 20 0 DCADMM [NH3+]CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(F)F ZINC001601185622 1168633726 /nfs/dbraw/zinc/63/37/26/1168633726.db2.gz PTIAWBPUUIDZHN-LURJTMIESA-N -1 1 314.335 0.707 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccn1 ZINC001601270795 1168685141 /nfs/dbraw/zinc/68/51/41/1168685141.db2.gz AHKIYQBFCRORSQ-ZDUSSCGKSA-N -1 1 302.334 0.940 20 0 DCADMM O=C([O-])[C@H](CNC(=O)CCc1nn[nH]n1)Cc1cccc(F)c1 ZINC001601296178 1168693434 /nfs/dbraw/zinc/69/34/34/1168693434.db2.gz ZTSCJHIJENWLKK-JTQLQIEISA-N -1 1 321.312 0.331 20 0 DCADMM O=C([O-])[C@@H]1OCC[C@@H]1NCC(=O)Nc1c(F)cccc1F ZINC001601328643 1168709924 /nfs/dbraw/zinc/70/99/24/1168709924.db2.gz RMQHIXPDTOBRJD-JOYOIKCWSA-N -1 1 300.261 0.735 20 0 DCADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)Nc1ccccc1F ZINC001601328018 1168710661 /nfs/dbraw/zinc/71/06/61/1168710661.db2.gz YYDANKOKYBASQY-VHSXEESVSA-N -1 1 323.324 0.191 20 0 DCADMM O=C(CSc1n[nH]c(=S)s1)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601351077 1168715496 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/nfs/dbraw/zinc/42/48/27/1169424827.db2.gz GVSZSFZPEUVVTO-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM C[C@H]1CCCN(C(=O)CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603898176 1169424834 /nfs/dbraw/zinc/42/48/34/1169424834.db2.gz GVSZSFZPEUVVTO-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H]1CO ZINC001603903700 1169428166 /nfs/dbraw/zinc/42/81/66/1169428166.db2.gz SQFGZUILMZMBJZ-IUCAKERBSA-N -1 1 320.357 0.082 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H]1CO ZINC001603903700 1169428170 /nfs/dbraw/zinc/42/81/70/1169428170.db2.gz SQFGZUILMZMBJZ-IUCAKERBSA-N -1 1 320.357 0.082 20 0 DCADMM C[C@@H]1CCS(=O)(=O)CCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC001603909045 1169431858 /nfs/dbraw/zinc/43/18/58/1169431858.db2.gz BQQBCWCFEUVDAR-SNVBAGLBSA-N -1 1 322.394 0.271 20 0 DCADMM C[C@@H]1CCS(=O)(=O)CCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001603909045 1169431859 /nfs/dbraw/zinc/43/18/59/1169431859.db2.gz BQQBCWCFEUVDAR-SNVBAGLBSA-N -1 1 322.394 0.271 20 0 DCADMM C[C@H]1Cn2ncnc2N(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001603929106 1169439463 /nfs/dbraw/zinc/43/94/63/1169439463.db2.gz YPWRPZLXIJNHAI-SSDOTTSWSA-N -1 1 316.350 0.816 20 0 DCADMM C[C@H]1CN(CCOC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC001603934767 1169440602 /nfs/dbraw/zinc/44/06/02/1169440602.db2.gz AMPBRJGYTSMQGD-VIFPVBQESA-N -1 1 323.378 0.806 20 0 DCADMM C[C@H]1CN(CCOC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001603934767 1169440609 /nfs/dbraw/zinc/44/06/09/1169440609.db2.gz AMPBRJGYTSMQGD-VIFPVBQESA-N -1 1 323.378 0.806 20 0 DCADMM C[C@H]1CN(CCNC(=O)c2ccsc2-c2nnn[n-]2)CCO1 ZINC001603935324 1169440907 /nfs/dbraw/zinc/44/09/07/1169440907.db2.gz CPRZBADKDIIGKL-VIFPVBQESA-N -1 1 322.394 0.379 20 0 DCADMM C[C@H]1CN(CCNC(=O)c2ccsc2-c2nn[n-]n2)CCO1 ZINC001603935324 1169440911 /nfs/dbraw/zinc/44/09/11/1169440911.db2.gz CPRZBADKDIIGKL-VIFPVBQESA-N -1 1 322.394 0.379 20 0 DCADMM C[C@H]1CN(Cc2cccc(-c3nnn[n-]3)n2)CCS(=O)(=O)C1 ZINC001603936743 1169443770 /nfs/dbraw/zinc/44/37/70/1169443770.db2.gz VRZPEQWFTSHBOE-JTQLQIEISA-N -1 1 322.394 0.128 20 0 DCADMM C[C@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)CCS(=O)(=O)C1 ZINC001603936743 1169443772 /nfs/dbraw/zinc/44/37/72/1169443772.db2.gz VRZPEQWFTSHBOE-JTQLQIEISA-N -1 1 322.394 0.128 20 0 DCADMM C[C@@H]1CO[C@@H](CO)CN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001603946743 1169446419 /nfs/dbraw/zinc/44/64/19/1169446419.db2.gz JLNCLYOQYSRDRR-PHDIDXHHSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1CO[C@@H](CO)CN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001603946743 1169446422 /nfs/dbraw/zinc/44/64/22/1169446422.db2.gz JLNCLYOQYSRDRR-PHDIDXHHSA-N -1 1 316.774 0.563 20 0 DCADMM CC[C@](C)(O)CNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001603986820 1169463024 /nfs/dbraw/zinc/46/30/24/1169463024.db2.gz HUKVCOLNIQXRGR-NSHDSACASA-N -1 1 311.371 0.914 20 0 DCADMM CC[C@](C)(O)CNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001603986820 1169463030 /nfs/dbraw/zinc/46/30/30/1169463030.db2.gz HUKVCOLNIQXRGR-NSHDSACASA-N -1 1 311.371 0.914 20 0 DCADMM CC[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603996800 1169467716 /nfs/dbraw/zinc/46/77/16/1169467716.db2.gz LQFZNVJOOZVWPE-RKDXNWHRSA-N -1 1 317.353 0.751 20 0 DCADMM CC[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603996800 1169467720 /nfs/dbraw/zinc/46/77/20/1169467720.db2.gz LQFZNVJOOZVWPE-RKDXNWHRSA-N -1 1 317.353 0.751 20 0 DCADMM CC[C@H](C)CC(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001603997542 1169468800 /nfs/dbraw/zinc/46/88/00/1169468800.db2.gz NTRDLKAORRGBHD-VIFPVBQESA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](C)CC(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001603997542 1169468818 /nfs/dbraw/zinc/46/88/18/1169468818.db2.gz NTRDLKAORRGBHD-VIFPVBQESA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(C)(C)O ZINC001604047596 1169478447 /nfs/dbraw/zinc/47/84/47/1169478447.db2.gz NBXNXOLKECDPPD-LLVKDONJSA-N -1 1 304.354 0.470 20 0 DCADMM CC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(C)(C)O ZINC001604047596 1169478452 /nfs/dbraw/zinc/47/84/52/1169478452.db2.gz NBXNXOLKECDPPD-LLVKDONJSA-N -1 1 304.354 0.470 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001604044216 1169479242 /nfs/dbraw/zinc/47/92/42/1169479242.db2.gz UHSKNBRXQRAAKL-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001604044216 1169479246 /nfs/dbraw/zinc/47/92/46/1169479246.db2.gz UHSKNBRXQRAAKL-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC(C)n1ncnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001604048518 1169480584 /nfs/dbraw/zinc/48/05/84/1169480584.db2.gz WPWXZPQVSAQGQE-USZNOCQGSA-N -1 1 321.381 0.317 20 0 DCADMM CC[C@@H](O)CC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001604066982 1169486501 /nfs/dbraw/zinc/48/65/01/1169486501.db2.gz PGGMQGOHNZMZDD-MRVPVSSYSA-N -1 1 311.292 0.922 20 0 DCADMM CC[C@@H](O)CC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001604066982 1169486504 /nfs/dbraw/zinc/48/65/04/1169486504.db2.gz PGGMQGOHNZMZDD-MRVPVSSYSA-N -1 1 311.292 0.922 20 0 DCADMM CC[C@]1(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CCOC1 ZINC001604091679 1169490024 /nfs/dbraw/zinc/49/00/24/1169490024.db2.gz DXHOJCJVAGLMCS-LBPRGKRZSA-N -1 1 323.382 0.692 20 0 DCADMM CC[C@]1(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CCOC1 ZINC001604091679 1169490027 /nfs/dbraw/zinc/49/00/27/1169490027.db2.gz DXHOJCJVAGLMCS-LBPRGKRZSA-N -1 1 323.382 0.692 20 0 DCADMM CC[C@H]1CCN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604108748 1169493229 /nfs/dbraw/zinc/49/32/29/1169493229.db2.gz PQSOAYTWFYUWGF-QMMMGPOBSA-N -1 1 301.310 0.211 20 0 DCADMM CC[C@H]1CCN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604108748 1169493230 /nfs/dbraw/zinc/49/32/30/1169493230.db2.gz PQSOAYTWFYUWGF-QMMMGPOBSA-N -1 1 301.310 0.211 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2c[nH]c(C3CC3)n2)CC1 ZINC001604113658 1169495182 /nfs/dbraw/zinc/49/51/82/1169495182.db2.gz DYNJJISCVXMLGT-JTQLQIEISA-N -1 1 306.366 0.908 20 0 DCADMM CCCC(=O)NCCN(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001604125932 1169499339 /nfs/dbraw/zinc/49/93/39/1169499339.db2.gz MUDKFLWXVTWFDL-UHFFFAOYSA-N -1 1 318.385 0.572 20 0 DCADMM CCCC(=O)NCCN(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001604125932 1169499343 /nfs/dbraw/zinc/49/93/43/1169499343.db2.gz MUDKFLWXVTWFDL-UHFFFAOYSA-N -1 1 318.385 0.572 20 0 DCADMM CCC[C@@](C)(CO)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604128918 1169501931 /nfs/dbraw/zinc/50/19/31/1169501931.db2.gz SEHQGFBXIRMWIV-ZDUSSCGKSA-N -1 1 305.342 0.934 20 0 DCADMM CCC[C@@](C)(CO)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604128918 1169501939 /nfs/dbraw/zinc/50/19/39/1169501939.db2.gz SEHQGFBXIRMWIV-ZDUSSCGKSA-N -1 1 305.342 0.934 20 0 DCADMM CCC[C@@H](C)CCCn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC001604136323 1169503580 /nfs/dbraw/zinc/50/35/80/1169503580.db2.gz LINIDTOZASYPMT-SNVBAGLBSA-N -1 1 306.370 0.944 20 0 DCADMM CCCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001604158278 1169509322 /nfs/dbraw/zinc/50/93/22/1169509322.db2.gz YIXRTVZWLMDTSW-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001604158278 1169509327 /nfs/dbraw/zinc/50/93/27/1169509327.db2.gz YIXRTVZWLMDTSW-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCCCC1(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001604169242 1169512607 /nfs/dbraw/zinc/51/26/07/1169512607.db2.gz CJLHAXKZXUNEEP-UHFFFAOYSA-N -1 1 304.358 0.545 20 0 DCADMM C[C@@H](CNC(=O)N1CCC[C@H]1CC(=O)[O-])N1CCN(C)CC1 ZINC001604176475 1169515102 /nfs/dbraw/zinc/51/51/02/1169515102.db2.gz RZQJARQKXWKURN-STQMWFEESA-N -1 1 312.414 0.271 20 0 DCADMM CN(C)C(=O)NCCN(C)CCOc1ccccc1C(=O)[O-] ZINC001604177639 1169515295 /nfs/dbraw/zinc/51/52/95/1169515295.db2.gz STZAIRNCZRZRED-UHFFFAOYSA-N -1 1 309.366 0.967 20 0 DCADMM C[C@H](NC(=O)[C@H](C)N1CC[C@@](O)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001604264625 1169537204 /nfs/dbraw/zinc/53/72/04/1169537204.db2.gz FSQDHAQSVGJJLW-MMPTUQATSA-N -1 1 324.352 0.913 20 0 DCADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)C(C)(C)C(=O)OC ZINC001604265583 1169538678 /nfs/dbraw/zinc/53/86/78/1169538678.db2.gz LTEWKOYROTXKST-UHFFFAOYSA-N -1 1 318.337 0.675 20 0 DCADMM CCN(C(=O)c1cccc(-c2nn[n-]n2)n1)C(C)(C)C(=O)OC ZINC001604265583 1169538682 /nfs/dbraw/zinc/53/86/82/1169538682.db2.gz LTEWKOYROTXKST-UHFFFAOYSA-N -1 1 318.337 0.675 20 0 DCADMM CCOC(=O)C1=CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001604368509 1169571822 /nfs/dbraw/zinc/57/18/22/1169571822.db2.gz SVOOKOZHLNZEFW-VIFPVBQESA-N -1 1 301.310 0.721 20 0 DCADMM CCOC(=O)C1=CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001604368509 1169571825 /nfs/dbraw/zinc/57/18/25/1169571825.db2.gz SVOOKOZHLNZEFW-VIFPVBQESA-N -1 1 301.310 0.721 20 0 DCADMM C[C@](O)(CN1CCOC[C@@H]1C[C@H](O)c1ccccc1)C(=O)[O-] ZINC001604374130 1169574567 /nfs/dbraw/zinc/57/45/67/1169574567.db2.gz UDFGYSKEGYNZAB-DZKIICNBSA-N -1 1 309.362 0.647 20 0 DCADMM CCOC(=O)c1cnn(CC2CCC(O)CC2)c1-c1nn[n-]n1 ZINC001604389972 1169579430 /nfs/dbraw/zinc/57/94/30/1169579430.db2.gz AVJXXZSUERLFEZ-UHFFFAOYSA-N -1 1 320.353 0.791 20 0 DCADMM C[C@@H](OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(=O)NCC(=O)[O-] ZINC001604395345 1169580867 /nfs/dbraw/zinc/58/08/67/1169580867.db2.gz XPXKRAMHLVWNPY-YMTOWFKASA-N -1 1 318.345 0.331 20 0 DCADMM CCO[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCOC1 ZINC001604398410 1169582309 /nfs/dbraw/zinc/58/23/09/1169582309.db2.gz OWFNVPWZAKYPHH-SKDRFNHKSA-N -1 1 322.321 0.945 20 0 DCADMM CCO[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCOC1 ZINC001604398410 1169582314 /nfs/dbraw/zinc/58/23/14/1169582314.db2.gz OWFNVPWZAKYPHH-SKDRFNHKSA-N -1 1 322.321 0.945 20 0 DCADMM CCOc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)on1 ZINC001604447357 1169593513 /nfs/dbraw/zinc/59/35/13/1169593513.db2.gz YLWBYBPQJBTITI-UHFFFAOYSA-N -1 1 315.293 0.578 20 0 DCADMM CCOc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)on1 ZINC001604447357 1169593521 /nfs/dbraw/zinc/59/35/21/1169593521.db2.gz YLWBYBPQJBTITI-UHFFFAOYSA-N -1 1 315.293 0.578 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](n3cccn3)C2)n1 ZINC001604544159 1169611827 /nfs/dbraw/zinc/61/18/27/1169611827.db2.gz FFDMLRKQFGJVMA-SNVBAGLBSA-N -1 1 311.353 0.867 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](n3cccn3)C2)n1 ZINC001604544159 1169611833 /nfs/dbraw/zinc/61/18/33/1169611833.db2.gz FFDMLRKQFGJVMA-SNVBAGLBSA-N -1 1 311.353 0.867 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)C(=O)[C@H](C)C2)n1 ZINC001604547910 1169614119 /nfs/dbraw/zinc/61/41/19/1169614119.db2.gz ZDGLHKZUAGKGMP-RKDXNWHRSA-N -1 1 301.354 0.880 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)C(=O)[C@H](C)C2)n1 ZINC001604547910 1169614123 /nfs/dbraw/zinc/61/41/23/1169614123.db2.gz ZDGLHKZUAGKGMP-RKDXNWHRSA-N -1 1 301.354 0.880 20 0 DCADMM CCn1nc(C)c(CNCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001604617039 1169631491 /nfs/dbraw/zinc/63/14/91/1169631491.db2.gz CYFLWWYDHKFFHY-UHFFFAOYSA-N -1 1 305.371 0.533 20 0 DCADMM CCn1nc(C)c(CNCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001604617039 1169631500 /nfs/dbraw/zinc/63/15/00/1169631500.db2.gz CYFLWWYDHKFFHY-UHFFFAOYSA-N -1 1 305.371 0.533 20 0 DCADMM CCn1ncnc1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001604623715 1169633173 /nfs/dbraw/zinc/63/31/73/1169633173.db2.gz LMDGQBCCSGVTFP-UHFFFAOYSA-N -1 1 312.337 0.177 20 0 DCADMM C[C@H]1C[C@H](CCNS(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001604666195 1169646035 /nfs/dbraw/zinc/64/60/35/1169646035.db2.gz JGKUDOPWRWBNOQ-DTWKUNHWSA-N -1 1 318.351 0.856 20 0 DCADMM CN(C)C(=O)c1cccc(CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001604670334 1169648507 /nfs/dbraw/zinc/64/85/07/1169648507.db2.gz CGWXATJYWHONTB-UHFFFAOYSA-N -1 1 324.348 0.393 20 0 DCADMM CN(C)c1cnn(Cc2ccc(-c3nn[n-]n3)s2)c(=O)c1 ZINC001604703822 1169659624 /nfs/dbraw/zinc/65/96/24/1169659624.db2.gz MNHBNNRREXCWDC-UHFFFAOYSA-N -1 1 303.351 0.599 20 0 DCADMM CC(C)[C@H](NC(=O)CN1CCC[C@@H](C)[C@H]1CCO)C(=O)[O-] ZINC001604735388 1169666085 /nfs/dbraw/zinc/66/60/85/1169666085.db2.gz HTYGLPQEQDKFGG-BZPMIXESSA-N -1 1 300.399 0.695 20 0 DCADMM C[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CCN1CCC(=O)[O-] ZINC001604780454 1169679135 /nfs/dbraw/zinc/67/91/35/1169679135.db2.gz FPMKPHNPVMLSFG-JTQLQIEISA-N -1 1 306.366 0.908 20 0 DCADMM C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001604786070 1169680748 /nfs/dbraw/zinc/68/07/48/1169680748.db2.gz OIXCDMRODQOPEZ-PKZYVASSSA-N -1 1 302.396 0.252 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001604792759 1169684237 /nfs/dbraw/zinc/68/42/37/1169684237.db2.gz DAWHKDUTHTUZPW-JWOJSXKRSA-N -1 1 323.393 0.353 20 0 DCADMM CN(CCn1cnnc1)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001604793881 1169686646 /nfs/dbraw/zinc/68/66/46/1169686646.db2.gz QOWKNCKDQQPXJT-UHFFFAOYSA-N -1 1 316.300 0.370 20 0 DCADMM CN(CCn1cnnc1)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001604793881 1169686654 /nfs/dbraw/zinc/68/66/54/1169686654.db2.gz QOWKNCKDQQPXJT-UHFFFAOYSA-N -1 1 316.300 0.370 20 0 DCADMM C[C@@H]1CSC[C@@H]1NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001604823395 1169697869 /nfs/dbraw/zinc/69/78/69/1169697869.db2.gz OCMYLKWHNAHXTA-UTUOFQBUSA-N -1 1 315.439 0.928 20 0 DCADMM C[C@@H]1NC(=O)N(CCN2CCc3ccc(C(=O)[O-])cc3C2)C1=O ZINC001604832517 1169701227 /nfs/dbraw/zinc/70/12/27/1169701227.db2.gz PGHXTTNBHLDSDN-JTQLQIEISA-N -1 1 317.345 0.683 20 0 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CO[C@H](CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)C(F)(F)F ZINC001605005753 1169777275 /nfs/dbraw/zinc/77/72/75/1169777275.db2.gz ATOKAJGRNGDSPH-RXMQYKEDSA-N -1 1 319.247 0.804 20 0 DCADMM COC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H]1CCCOC1 ZINC001605056940 1169797953 /nfs/dbraw/zinc/79/79/53/1169797953.db2.gz CCIWAOUBLFQMRV-NXEZZACHSA-N -1 1 321.337 0.631 20 0 DCADMM COC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCOC1 ZINC001605056940 1169797958 /nfs/dbraw/zinc/79/79/58/1169797958.db2.gz CCIWAOUBLFQMRV-NXEZZACHSA-N -1 1 321.337 0.631 20 0 DCADMM COCC1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001605072914 1169808663 /nfs/dbraw/zinc/80/86/63/1169808663.db2.gz SJBZTJBFCOZAOO-UHFFFAOYSA-N -1 1 302.338 0.760 20 0 DCADMM COCC1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001605072914 1169808672 /nfs/dbraw/zinc/80/86/72/1169808672.db2.gz SJBZTJBFCOZAOO-UHFFFAOYSA-N -1 1 302.338 0.760 20 0 DCADMM COCCCOC1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001605092472 1169818336 /nfs/dbraw/zinc/81/83/36/1169818336.db2.gz 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CCCn1ncnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001605390633 1169909381 /nfs/dbraw/zinc/90/93/81/1169909381.db2.gz JUEFDJZZGMKVJT-KKOKHZNYSA-N -1 1 321.381 0.146 20 0 DCADMM CCCn1cc(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)c(C)n1 ZINC001605389928 1169909846 /nfs/dbraw/zinc/90/98/46/1169909846.db2.gz PGFMAZQHMURVCK-CHWSQXEVSA-N -1 1 309.366 0.907 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCCSC1 ZINC001605506577 1169942209 /nfs/dbraw/zinc/94/22/09/1169942209.db2.gz FWQGROYYFAKRIS-UHFFFAOYSA-N -1 1 306.351 0.812 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CCNC(=O)CC2)c1 ZINC001605510978 1169944562 /nfs/dbraw/zinc/94/45/62/1169944562.db2.gz QYQWAIDBLBKLTA-JTQLQIEISA-N -1 1 302.338 0.253 20 0 DCADMM CCOC(=O)[C@@H]1CN(Cc2ccc(C(=O)[O-])cn2)CC12COC2 ZINC001605525547 1169948411 /nfs/dbraw/zinc/94/84/11/1169948411.db2.gz APWCXGQWWPJSBY-ZDUSSCGKSA-N -1 1 320.345 0.791 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCCNC(=O)C(C)C)n1 ZINC001605556739 1169959835 /nfs/dbraw/zinc/95/98/35/1169959835.db2.gz GCKAZMQBGHMVCV-UHFFFAOYSA-N -1 1 318.385 0.564 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCCNC(=O)C(C)C)n1 ZINC001605556739 1169959840 /nfs/dbraw/zinc/95/98/40/1169959840.db2.gz GCKAZMQBGHMVCV-UHFFFAOYSA-N -1 1 318.385 0.564 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](CO)C[C@@H]2CCCO2)n1 ZINC001605568394 1169962211 /nfs/dbraw/zinc/96/22/11/1169962211.db2.gz JPVNHRODQYBMKE-ZJUUUORDSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](CO)C[C@@H]2CCCO2)n1 ZINC001605568394 1169962214 /nfs/dbraw/zinc/96/22/14/1169962214.db2.gz JPVNHRODQYBMKE-ZJUUUORDSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC001605570217 1169962796 /nfs/dbraw/zinc/96/27/96/1169962796.db2.gz VDWNNSDVUPIWCL-SECBINFHSA-N -1 1 316.369 0.776 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC001605570217 1169962802 /nfs/dbraw/zinc/96/28/02/1169962802.db2.gz VDWNNSDVUPIWCL-SECBINFHSA-N -1 1 316.369 0.776 20 0 DCADMM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cnn1 ZINC001605619749 1169975084 /nfs/dbraw/zinc/97/50/84/1169975084.db2.gz DFDPIYYIJABBSD-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1cc(C)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1O ZINC001605643120 1169980842 /nfs/dbraw/zinc/98/08/42/1169980842.db2.gz BXEPLCQEXVDCHG-UHFFFAOYSA-N -1 1 314.309 0.419 20 0 DCADMM Cc1cc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)ccc1-c1nn[nH]n1 ZINC001605656358 1169982343 /nfs/dbraw/zinc/98/23/43/1169982343.db2.gz HJSWGOWTQNYBCS-GFCCVEGCSA-N -1 1 316.365 0.251 20 0 DCADMM Cc1cc(NCC[C@@]2(O)CCCOC2)nc(-c2nnn[n-]2)c1 ZINC001605729185 1169994424 /nfs/dbraw/zinc/99/44/24/1169994424.db2.gz FITJPRSUAXCKLL-AWEZNQCLSA-N -1 1 304.354 0.914 20 0 DCADMM Cc1cc(NCC[C@@]2(O)CCCOC2)nc(-c2nn[n-]n2)c1 ZINC001605729185 1169994428 /nfs/dbraw/zinc/99/44/28/1169994428.db2.gz FITJPRSUAXCKLL-AWEZNQCLSA-N -1 1 304.354 0.914 20 0 DCADMM CCc1cc(C(=O)[O-])c(NC(=O)C(=O)NCc2c[nH]nn2)s1 ZINC001605788187 1170001143 /nfs/dbraw/zinc/00/11/43/1170001143.db2.gz UQUGVDNMGGKFPZ-UHFFFAOYSA-N -1 1 323.334 0.382 20 0 DCADMM CCc1cc(CNC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)[nH]n1 ZINC001605798194 1170005192 /nfs/dbraw/zinc/00/51/92/1170005192.db2.gz GRRCPETVICUDJP-CQSZACIVSA-N -1 1 321.337 0.487 20 0 DCADMM Cc1ccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c(Cl)n1 ZINC001605838606 1170010283 /nfs/dbraw/zinc/01/02/83/1170010283.db2.gz KKQWZAXNWHWSOM-UHFFFAOYSA-N -1 1 318.728 0.885 20 0 DCADMM CCc1nn(C)cc1CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001605866432 1170016341 /nfs/dbraw/zinc/01/63/41/1170016341.db2.gz ILZOGOXECWGSBT-INIZCTEOSA-N -1 1 322.409 0.344 20 0 DCADMM Cc1ccc(N[C@H]2CC(=O)N(CC3CC3)C2)nc1-c1nnn[n-]1 ZINC001605872324 1170017690 /nfs/dbraw/zinc/01/76/90/1170017690.db2.gz VMYLFEPDJCFHAV-NSHDSACASA-N -1 1 313.365 0.993 20 0 DCADMM Cc1ccc(N[C@H]2CC(=O)N(CC3CC3)C2)nc1-c1nn[n-]n1 ZINC001605872324 1170017700 /nfs/dbraw/zinc/01/77/00/1170017700.db2.gz VMYLFEPDJCFHAV-NSHDSACASA-N -1 1 313.365 0.993 20 0 DCADMM CCc1oc(CNCCC(=O)N2CCOCC2)cc1C(=O)[O-] ZINC001605890561 1170022890 /nfs/dbraw/zinc/02/28/90/1170022890.db2.gz KYDSAWAQFCHFKU-UHFFFAOYSA-N -1 1 310.350 0.879 20 0 DCADMM Cc1ccc2nc(CNc3ccnc(-c4nn[n-]n4)n3)cn2c1 ZINC001605893670 1170023622 /nfs/dbraw/zinc/02/36/22/1170023622.db2.gz KAWISBUVPCEVKV-UHFFFAOYSA-N -1 1 307.321 0.647 20 0 DCADMM Cc1ccn(CN2CC[C@@]3(CCOC3)C2)c(=O)c1-c1nn[n-]n1 ZINC001605948961 1170031887 /nfs/dbraw/zinc/03/18/87/1170031887.db2.gz JUHSLUWZHBWDCF-OAHLLOKOSA-N -1 1 316.365 0.407 20 0 DCADMM Cc1ccn([C@@H](C)CC(=O)Nc2c[nH]nc2-c2nn[nH]n2)n1 ZINC001605948124 1170032450 /nfs/dbraw/zinc/03/24/50/1170032450.db2.gz QJJUXKFXNYHKCS-QMMMGPOBSA-N -1 1 301.314 0.685 20 0 DCADMM Cc1ccn([C@@H](C)CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)n1 ZINC001605948124 1170032463 /nfs/dbraw/zinc/03/24/63/1170032463.db2.gz QJJUXKFXNYHKCS-QMMMGPOBSA-N -1 1 301.314 0.685 20 0 DCADMM Cc1ccn(CC(=O)c2ccns2)c(=O)c1-c1nn[n-]n1 ZINC001605949553 1170033129 /nfs/dbraw/zinc/03/31/29/1170033129.db2.gz RDAXOSHUHMNEPS-UHFFFAOYSA-N -1 1 302.319 0.676 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnn3c2CCCC3)c1-c1nn[n-]n1 ZINC001606014102 1170048844 /nfs/dbraw/zinc/04/88/44/1170048844.db2.gz QJLJHKCRNVFXCA-UHFFFAOYSA-N -1 1 313.325 0.683 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H](C)Oc2ccccn2)c1-c1nn[n-]n1 ZINC001606013315 1170049350 /nfs/dbraw/zinc/04/93/50/1170049350.db2.gz LSESPPFPUYWEPK-MRVPVSSYSA-N -1 1 314.309 0.699 20 0 DCADMM C[NH+](C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606018978 1170050509 /nfs/dbraw/zinc/05/05/09/1170050509.db2.gz JJGYGOGVCRLOJB-SCZZXKLOSA-N -1 1 317.367 0.524 20 0 DCADMM C[NH+](C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606018977 1170051511 /nfs/dbraw/zinc/05/15/11/1170051511.db2.gz JJGYGOGVCRLOJB-PSASIEDQSA-N -1 1 317.367 0.524 20 0 DCADMM Cc1nc(N[C@H](C)CO[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001606061142 1170067383 /nfs/dbraw/zinc/06/73/83/1170067383.db2.gz SSBPFKQXLWTBFP-PSASIEDQSA-N -1 1 305.342 0.571 20 0 DCADMM Cc1nc(N[C@H](C)CO[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001606061142 1170067385 /nfs/dbraw/zinc/06/73/85/1170067385.db2.gz SSBPFKQXLWTBFP-PSASIEDQSA-N -1 1 305.342 0.571 20 0 DCADMM CN(CC(=O)N[C@]1(CC(=O)[O-])CCOC1)[C@@H]1CCSC1 ZINC001606080700 1170072147 /nfs/dbraw/zinc/07/21/47/1170072147.db2.gz LYMWPMYVQLSTAQ-MFKMUULPSA-N -1 1 302.396 0.174 20 0 DCADMM CN(CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])Cc1ccccc1 ZINC001606082985 1170072191 /nfs/dbraw/zinc/07/21/91/1170072191.db2.gz VGGZFFHEUDRVGR-CQSZACIVSA-N -1 1 316.361 0.654 20 0 DCADMM Cc1nccnc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606098596 1170076087 /nfs/dbraw/zinc/07/60/87/1170076087.db2.gz FWVKKEIGPUGTKA-UHFFFAOYSA-N -1 1 311.309 0.818 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606107061 1170077320 /nfs/dbraw/zinc/07/73/20/1170077320.db2.gz KAWIDSWYNXAFJU-LURJTMIESA-N -1 1 315.341 0.682 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606107061 1170077328 /nfs/dbraw/zinc/07/73/28/1170077328.db2.gz KAWIDSWYNXAFJU-LURJTMIESA-N -1 1 315.341 0.682 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H](C)OCC2CC2)c1-c1nnn[n-]1 ZINC001606110133 1170079376 /nfs/dbraw/zinc/07/93/76/1170079376.db2.gz MCSUSIBWKQGXLU-MRVPVSSYSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H](C)OCC2CC2)c1-c1nn[n-]n1 ZINC001606110133 1170079382 /nfs/dbraw/zinc/07/93/82/1170079382.db2.gz MCSUSIBWKQGXLU-MRVPVSSYSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(CC(=O)[C@@H]2CCCOC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606115040 1170081374 /nfs/dbraw/zinc/08/13/74/1170081374.db2.gz JKUIWTVSWHIBBJ-SNVBAGLBSA-N -1 1 318.337 0.036 20 0 DCADMM Cc1nsc(SCCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC001606163863 1170097557 /nfs/dbraw/zinc/09/75/57/1170097557.db2.gz SXWMGAVYPRPLPE-UHFFFAOYSA-N -1 1 305.410 0.768 20 0 DCADMM Cc1nsc(SCCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC001606163863 1170097561 /nfs/dbraw/zinc/09/75/61/1170097561.db2.gz SXWMGAVYPRPLPE-UHFFFAOYSA-N -1 1 305.410 0.768 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H](C)C[C@H](CO)C1 ZINC001606166355 1170097736 /nfs/dbraw/zinc/09/77/36/1170097736.db2.gz QIZZYFPIIHBFGC-WPRPVWTQSA-N -1 1 305.338 0.859 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H](C)C[C@H](CO)C1 ZINC001606166355 1170097739 /nfs/dbraw/zinc/09/77/39/1170097739.db2.gz QIZZYFPIIHBFGC-WPRPVWTQSA-N -1 1 305.338 0.859 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC(CC(N)=O)CC1 ZINC001606166453 1170099537 /nfs/dbraw/zinc/09/95/37/1170099537.db2.gz RZQGNKJLXLVFKJ-UHFFFAOYSA-N -1 1 318.337 0.496 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC(CC(N)=O)CC1 ZINC001606166453 1170099540 /nfs/dbraw/zinc/09/95/40/1170099540.db2.gz RZQGNKJLXLVFKJ-UHFFFAOYSA-N -1 1 318.337 0.496 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC(N)=O ZINC001606172258 1170102457 /nfs/dbraw/zinc/10/24/57/1170102457.db2.gz YKJZGPRAAOOZPN-UHFFFAOYSA-N -1 1 316.277 0.201 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC(N)=O ZINC001606172258 1170102459 /nfs/dbraw/zinc/10/24/59/1170102459.db2.gz YKJZGPRAAOOZPN-UHFFFAOYSA-N -1 1 316.277 0.201 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C(C)C)C(C)(C)O)c1-c1nnn[n-]1 ZINC001606180224 1170103717 /nfs/dbraw/zinc/10/37/17/1170103717.db2.gz KYXVWPNQFHJBMM-LBPRGKRZSA-N -1 1 322.369 0.617 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C(C)C)C(C)(C)O)c1-c1nn[n-]n1 ZINC001606180224 1170103725 /nfs/dbraw/zinc/10/37/25/1170103725.db2.gz KYXVWPNQFHJBMM-LBPRGKRZSA-N -1 1 322.369 0.617 20 0 DCADMM Cn1c(=O)[nH]c(NCC[C@@H]2CCCCO2)c(-c2nn[n-]n2)c1=O ZINC001606205398 1170112467 /nfs/dbraw/zinc/11/24/67/1170112467.db2.gz CEEUWZAEAKZVKW-QMMMGPOBSA-N -1 1 321.341 0.037 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@@H]2Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606219262 1170119646 /nfs/dbraw/zinc/11/96/46/1170119646.db2.gz ABFOXCRONOJFFS-LBPRGKRZSA-N -1 1 323.360 0.872 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@@H]2Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606219262 1170119648 /nfs/dbraw/zinc/11/96/48/1170119648.db2.gz ABFOXCRONOJFFS-LBPRGKRZSA-N -1 1 323.360 0.872 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnc3ccccc3n2)n1 ZINC001606222907 1170122067 /nfs/dbraw/zinc/12/20/67/1170122067.db2.gz YPXOENNAKIJSSO-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnc3ccccc3n2)n1 ZINC001606222907 1170122069 /nfs/dbraw/zinc/12/20/69/1170122069.db2.gz YPXOENNAKIJSSO-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM CN1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)[nH]n1 ZINC001606227992 1170126406 /nfs/dbraw/zinc/12/64/06/1170126406.db2.gz WTILZAQIASJYSC-DTVLGXAZSA-N -1 1 304.350 0.579 20 0 DCADMM Cn1cc(C=CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001606237296 1170130116 /nfs/dbraw/zinc/13/01/16/1170130116.db2.gz KGGKORFCUDERMQ-NSCUHMNNSA-N -1 1 310.321 0.325 20 0 DCADMM Cn1cc(C=CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001606237296 1170130117 /nfs/dbraw/zinc/13/01/17/1170130117.db2.gz KGGKORFCUDERMQ-NSCUHMNNSA-N -1 1 310.321 0.325 20 0 DCADMM CN(C)c1cccnc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001606237335 1170131197 /nfs/dbraw/zinc/13/11/97/1170131197.db2.gz BVJKRFJUDVFYTR-NSHDSACASA-N -1 1 306.366 0.236 20 0 DCADMM Cn1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001606246606 1170136030 /nfs/dbraw/zinc/13/60/30/1170136030.db2.gz WIKNPXPTNXOHDM-UHFFFAOYSA-N -1 1 301.262 0.838 20 0 DCADMM CN1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3C(=O)[O-])C[C@H]21 ZINC001606251011 1170136848 /nfs/dbraw/zinc/13/68/48/1170136848.db2.gz RHGMPQUNXVRKAD-SMDDNHRTSA-N -1 1 324.402 0.851 20 0 DCADMM Cn1cccc1CNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001606255902 1170138356 /nfs/dbraw/zinc/13/83/56/1170138356.db2.gz MPFZGZMNJFEEPN-UHFFFAOYSA-N -1 1 319.350 0.079 20 0 DCADMM CNC(=O)Cc1noc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)n1 ZINC001606277113 1170145826 /nfs/dbraw/zinc/14/58/26/1170145826.db2.gz BIURRFSXOPMCAW-OUAUKWLOSA-N -1 1 322.365 0.433 20 0 DCADMM Cn1nnc2ccc(C(=O)Nc3c[nH]nc3-c3nn[n-]n3)cc21 ZINC001606286224 1170149788 /nfs/dbraw/zinc/14/97/88/1170149788.db2.gz GESVTESQIAERTK-UHFFFAOYSA-N -1 1 310.281 0.124 20 0 DCADMM Fc1ccc2[nH]cnc2c1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001606326338 1170159700 /nfs/dbraw/zinc/15/97/00/1170159700.db2.gz COHSQSIQYMJGEA-UHFFFAOYSA-N -1 1 311.284 0.706 20 0 DCADMM COC(=O)C1(NC(=O)CN[C@@H](C(=O)[O-])C2CC2)CCCCC1 ZINC001606353450 1170168089 /nfs/dbraw/zinc/16/80/89/1170168089.db2.gz XRKUXBSKRGVDOL-GFCCVEGCSA-N -1 1 312.366 0.431 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001606412949 1170191580 /nfs/dbraw/zinc/19/15/80/1170191580.db2.gz OPUXRZMGADORDY-JTQLQIEISA-N -1 1 301.354 0.744 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001606412949 1170191582 /nfs/dbraw/zinc/19/15/82/1170191582.db2.gz OPUXRZMGADORDY-JTQLQIEISA-N -1 1 301.354 0.744 20 0 DCADMM NC(=O)OCCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606424502 1170194580 /nfs/dbraw/zinc/19/45/80/1170194580.db2.gz UJQBFBIXJPMPSL-UHFFFAOYSA-N -1 1 315.293 0.587 20 0 DCADMM COC(=O)[C@H]1CN(C)CCN([C@@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001606425392 1170196584 /nfs/dbraw/zinc/19/65/84/1170196584.db2.gz IOCVTJJRVJWLQR-UWVGGRQHSA-N -1 1 311.338 0.470 20 0 DCADMM NC(=O)c1csc(CNCc2csc(-c3nn[n-]n3)c2)n1 ZINC001606435270 1170200090 /nfs/dbraw/zinc/20/00/90/1170200090.db2.gz JESAPLGYGBSOTD-UHFFFAOYSA-N -1 1 321.391 0.773 20 0 DCADMM NC(=O)c1ccccc1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606433377 1170200402 /nfs/dbraw/zinc/20/04/02/1170200402.db2.gz PKGRLTPWLJAJAQ-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM NC(=O)c1ccccc1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606433377 1170200405 /nfs/dbraw/zinc/20/04/05/1170200405.db2.gz PKGRLTPWLJAJAQ-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM COC(=O)C[C@H](C)CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001606441246 1170203302 /nfs/dbraw/zinc/20/33/02/1170203302.db2.gz QYVLIHXCIGYZKK-VXGBXAGGSA-N -1 1 314.382 0.583 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2cccnc2c1 ZINC001606446429 1170206285 /nfs/dbraw/zinc/20/62/85/1170206285.db2.gz PAEJVNIYDMHNNH-UHFFFAOYSA-N -1 1 306.289 0.882 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1ccc2c(c1)OCO2 ZINC001606446519 1170206491 /nfs/dbraw/zinc/20/64/91/1170206491.db2.gz SQJDBHWITHBJHW-UHFFFAOYSA-N -1 1 313.277 0.257 20 0 DCADMM COC(=O)[C@@H](NC(=O)CN1CCC[C@@H]1CC(=O)[O-])C(C)C ZINC001606505066 1170222313 /nfs/dbraw/zinc/22/23/13/1170222313.db2.gz BRZVHJZMNBVEIQ-MFKMUULPSA-N -1 1 300.355 0.239 20 0 DCADMM O=C(CCC1CC1)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001606508969 1170223874 /nfs/dbraw/zinc/22/38/74/1170223874.db2.gz OPBLAPTZVCZUDO-UHFFFAOYSA-N -1 1 316.369 0.187 20 0 DCADMM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cccc3nn[nH]c31)C2 ZINC001606553508 1170234064 /nfs/dbraw/zinc/23/40/64/1170234064.db2.gz QVNLIRWHYFDRHQ-RTHLEPHNSA-N -1 1 302.290 0.131 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](C(F)F)C1 ZINC001606594141 1170238912 /nfs/dbraw/zinc/23/89/12/1170238912.db2.gz DZSBFDVOAPBGGQ-SNVBAGLBSA-N -1 1 324.291 0.297 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](C(F)F)C1 ZINC001606594141 1170238915 /nfs/dbraw/zinc/23/89/15/1170238915.db2.gz DZSBFDVOAPBGGQ-SNVBAGLBSA-N -1 1 324.291 0.297 20 0 DCADMM COC(=O)c1ccc(OC)c2c1CC[N@@H+](C[C@](C)(O)C(=O)[O-])C2 ZINC001606601305 1170240386 /nfs/dbraw/zinc/24/03/86/1170240386.db2.gz SDHROSOQXLOXET-INIZCTEOSA-N -1 1 323.345 0.676 20 0 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318.366 0.127 20 0 DCADMM O[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001607107654 1170399807 /nfs/dbraw/zinc/39/98/07/1170399807.db2.gz AYZNASWUVLRMPG-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001607107654 1170399812 /nfs/dbraw/zinc/39/98/12/1170399812.db2.gz AYZNASWUVLRMPG-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM OCCCOC1CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001607107183 1170399863 /nfs/dbraw/zinc/39/98/63/1170399863.db2.gz DCFNBDSHMAWEAI-UHFFFAOYSA-N -1 1 305.342 0.025 20 0 DCADMM COc1ccc(CNC(=O)NCCN2CCC2)cc1C(=O)[O-] ZINC001607257646 1170420278 /nfs/dbraw/zinc/42/02/78/1170420278.db2.gz DOKNJERKSSUEFX-UHFFFAOYSA-N -1 1 307.350 0.898 20 0 DCADMM COc1cccc(C[C@H](NC(=O)Cc2cnc[nH]2)C(=O)[O-])c1 ZINC001607319526 1170427352 /nfs/dbraw/zinc/42/73/52/1170427352.db2.gz UAVALWNYSNZGOV-ZDUSSCGKSA-N -1 1 303.318 0.773 20 0 DCADMM COc1cccc(CN2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1 ZINC001607322255 1170428913 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DCADMM Cn1cnnc1[C@H]1CCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001609481285 1170993690 /nfs/dbraw/zinc/99/36/90/1170993690.db2.gz KLQNQJXZIOPLQV-SECBINFHSA-N -1 1 317.382 0.789 20 0 DCADMM NC(=O)C[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001609502349 1171003183 /nfs/dbraw/zinc/00/31/83/1171003183.db2.gz LSLTXBWGOMSLDC-SSDOTTSWSA-N -1 1 307.745 0.617 20 0 DCADMM NC(=O)C[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001609502349 1171003191 /nfs/dbraw/zinc/00/31/91/1171003191.db2.gz LSLTXBWGOMSLDC-SSDOTTSWSA-N -1 1 307.745 0.617 20 0 DCADMM O=C(NC1CC1)[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609540083 1171014094 /nfs/dbraw/zinc/01/40/94/1171014094.db2.gz MBTWUHNIGHSVAK-SNVBAGLBSA-N -1 1 313.365 0.757 20 0 DCADMM O=C(NC1CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609540083 1171014100 /nfs/dbraw/zinc/01/41/00/1171014100.db2.gz MBTWUHNIGHSVAK-SNVBAGLBSA-N -1 1 313.365 0.757 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(-c2nnn[n-]2)n1 ZINC001609540624 1171014155 /nfs/dbraw/zinc/01/41/55/1171014155.db2.gz HUJXKJHMKKTSLN-GIPNMCIBSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(-c2nn[n-]n2)n1 ZINC001609540624 1171014163 /nfs/dbraw/zinc/01/41/63/1171014163.db2.gz HUJXKJHMKKTSLN-GIPNMCIBSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(N[C@H](CO)C1CCCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609538914 1171015802 /nfs/dbraw/zinc/01/58/02/1171015802.db2.gz IVGRFZFZXSEDIQ-CYBMUJFWSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(N[C@H](CO)C1CCCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609538914 1171015808 /nfs/dbraw/zinc/01/58/08/1171015808.db2.gz IVGRFZFZXSEDIQ-CYBMUJFWSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NC[C@H]1CCCC[C@@H]1O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609552198 1171019608 /nfs/dbraw/zinc/01/96/08/1171019608.db2.gz BZQCWHZMDKEKSG-PWSUYJOCSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@H]1CCCC[C@@H]1O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609552198 1171019615 /nfs/dbraw/zinc/01/96/15/1171019615.db2.gz BZQCWHZMDKEKSG-PWSUYJOCSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1)c1ccon1 ZINC001609568477 1171023616 /nfs/dbraw/zinc/02/36/16/1171023616.db2.gz UEHOCITZMZXFGL-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H](O)CC1 ZINC001609567084 1171023929 /nfs/dbraw/zinc/02/39/29/1171023929.db2.gz QVWFQCOYBBXNBQ-SECBINFHSA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H](O)CC1 ZINC001609567084 1171023930 /nfs/dbraw/zinc/02/39/30/1171023930.db2.gz QVWFQCOYBBXNBQ-SECBINFHSA-N -1 1 303.326 0.640 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC[C@H](O)C12CCCC2 ZINC001609583480 1171029584 /nfs/dbraw/zinc/02/95/84/1171029584.db2.gz ATGMYNCGAMRLFT-LBPRGKRZSA-N -1 1 314.349 0.781 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC[C@H](O)C12CCCC2 ZINC001609583480 1171029591 /nfs/dbraw/zinc/02/95/91/1171029591.db2.gz ATGMYNCGAMRLFT-LBPRGKRZSA-N -1 1 314.349 0.781 20 0 DCADMM c1sc(CN2CCOC[C@H]2[C@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001609620655 1171049640 /nfs/dbraw/zinc/04/96/40/1171049640.db2.gz 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O=C([O-])c1cn([C@@H]2CCC[N@H+]([C@H]3CCCCNC3=O)C2)nn1 ZINC001610855901 1171339697 /nfs/dbraw/zinc/33/96/97/1171339697.db2.gz LUDXKAGGYJDGCD-PWSUYJOCSA-N -1 1 307.354 0.282 20 0 DCADMM O=C([O-])c1cn([C@@H]2CCCN([C@H]3CCCCNC3=O)C2)nn1 ZINC001610855901 1171339703 /nfs/dbraw/zinc/33/97/03/1171339703.db2.gz LUDXKAGGYJDGCD-PWSUYJOCSA-N -1 1 307.354 0.282 20 0 DCADMM O=C([O-])c1n[nH]c2c1CN(C(=O)c1ccc3[nH]nnc3c1)CC2 ZINC001610870803 1171346054 /nfs/dbraw/zinc/34/60/54/1171346054.db2.gz JXHLTESJIPYZGZ-UHFFFAOYSA-N -1 1 312.289 0.578 20 0 DCADMM C[C@@H](CN(C)C(=O)Cn1ncc2cccnc21)c1nn[n-]n1 ZINC001611066564 1171350565 /nfs/dbraw/zinc/35/05/65/1171350565.db2.gz XDYPCIPZOVYIJA-VIFPVBQESA-N -1 1 300.326 0.207 20 0 DCADMM O=C(c1nnc(-c2ccco2)o1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001617248384 1171387114 /nfs/dbraw/zinc/38/71/14/1171387114.db2.gz IXVNEDCLLVAOLM-QMMMGPOBSA-N -1 1 315.293 0.863 20 0 DCADMM NC(=O)C1(NC(=O)c2ccc3n[n-]c(=S)n3c2)CCCC1 ZINC001617695019 1171390155 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1190672831 /nfs/dbraw/zinc/67/28/31/1190672831.db2.gz SEWRLNGQBXIAEB-NSHDSACASA-N -1 1 318.385 0.265 20 0 DCADMM Cc1nccnc1CN1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001042645938 751805482 /nfs/dbraw/zinc/80/54/82/751805482.db2.gz IDGAZYWUUYKWLV-UHFFFAOYSA-N -1 1 313.361 0.842 20 0 DCADMM CN(C(=O)c1ncccc1[O-])C1CN(CCc2cnn(C)c2)C1 ZINC001042645660 751805900 /nfs/dbraw/zinc/80/59/00/751805900.db2.gz ANQREDRGISPEAV-UHFFFAOYSA-N -1 1 315.377 0.520 20 0 DCADMM CC/C(C)=C/C(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1 ZINC001042920138 751981636 /nfs/dbraw/zinc/98/16/36/751981636.db2.gz QAHXRHQJTIIGMS-YRNVUSSQSA-N -1 1 319.361 0.447 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])c1nccnc1F ZINC001100515528 747260771 /nfs/dbraw/zinc/26/07/71/747260771.db2.gz TWXJLJZBODIEQS-UHFFFAOYSA-N -1 1 305.313 0.973 20 0 DCADMM O=C([O-])C(=O)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001143420139 747328273 /nfs/dbraw/zinc/32/82/73/747328273.db2.gz SRMCNJDWIXTFSA-WCQYABFASA-N -1 1 308.309 0.574 20 0 DCADMM C[C@@H]1CC[C@@H](CC(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)C1 ZINC001043565559 752289464 /nfs/dbraw/zinc/28/94/64/752289464.db2.gz SUVFUSOOBVHMBL-VXGBXAGGSA-N -1 1 321.425 0.577 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)C2(C)CC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087581410 748986619 /nfs/dbraw/zinc/98/66/19/748986619.db2.gz GSRTUTTVFHRWNB-WDEREUQCSA-N -1 1 307.398 0.378 20 0 DCADMM N=C(Nc1cnc2c(c1)CCCN2)SCCS(=O)(=O)[O-] ZINC001168096543 749406052 /nfs/dbraw/zinc/40/60/52/749406052.db2.gz JOTPYRDFFSSTOR-UHFFFAOYSA-N -1 1 316.408 0.695 20 0 DCADMM Cc1nonc1CN1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001088538551 749562564 /nfs/dbraw/zinc/56/25/64/749562564.db2.gz FURTYXFYUDDYNX-MNOVXSKESA-N -1 1 317.349 0.871 20 0 DCADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C(C)(F)F ZINC001101676746 749689242 /nfs/dbraw/zinc/68/92/42/749689242.db2.gz VBFRZNCKSQMDFZ-HTQZYQBOSA-N -1 1 303.313 0.350 20 0 DCADMM CCc1nsc(NC[C@H](O)CNC(=O)c2ncccc2[O-])n1 ZINC001105802346 750484565 /nfs/dbraw/zinc/48/45/65/750484565.db2.gz LLBGWINLVUEYLA-MRVPVSSYSA-N -1 1 323.378 0.404 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(N)=O)CC(C)(C)C2)c1[O-] ZINC001089355690 751296108 /nfs/dbraw/zinc/29/61/08/751296108.db2.gz QREQVJIBJCVGRS-SNVBAGLBSA-N -1 1 323.397 0.129 20 0 DCADMM Cc1cc(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)c(C)[nH]1 ZINC001043978989 752502250 /nfs/dbraw/zinc/50/22/50/752502250.db2.gz NGLVEOMHRJKWPI-UHFFFAOYSA-N -1 1 318.381 0.010 20 0 DCADMM CC(C)[C@]1(C)C[C@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001044124672 752581359 /nfs/dbraw/zinc/58/13/59/752581359.db2.gz NDSXPONGTRUIQA-LRDDRELGSA-N -1 1 321.425 0.433 20 0 DCADMM CC(C)=CCN1CC(N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001044180860 752612680 /nfs/dbraw/zinc/61/26/80/752612680.db2.gz PGMJRAZSJADUII-UHFFFAOYSA-N -1 1 316.365 0.140 20 0 DCADMM O=C(c1ccccc1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044903232 752923001 /nfs/dbraw/zinc/92/30/01/752923001.db2.gz BTRHNYLHSYCDRR-LBPRGKRZSA-N -1 1 301.350 0.905 20 0 DCADMM C/C(=C/C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001044942975 752947597 /nfs/dbraw/zinc/94/75/97/752947597.db2.gz GGPRYVNXIZGJPB-UMAGTOLTSA-N -1 1 305.382 0.947 20 0 DCADMM Cc1cc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)ns1 ZINC001045013593 752996379 /nfs/dbraw/zinc/99/63/79/752996379.db2.gz BYWAPNCMCWDKKW-VIFPVBQESA-N -1 1 322.394 0.670 20 0 DCADMM O=C(c1cc(F)c[nH]1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045127459 753054816 /nfs/dbraw/zinc/05/48/16/753054816.db2.gz ZXBKFYZAPNBZBN-VIFPVBQESA-N -1 1 308.317 0.372 20 0 DCADMM O=C(C=C1CCC1)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078375956 753216227 /nfs/dbraw/zinc/21/62/27/753216227.db2.gz ZIAPNZYLEAEMBW-LBPRGKRZSA-N -1 1 321.381 0.328 20 0 DCADMM O=C(NC[C@H]1COCCN1C(=O)c1ncccc1[O-])C(F)F ZINC001061173372 753542266 /nfs/dbraw/zinc/54/22/66/753542266.db2.gz SROFMABVDIBOBT-QMMMGPOBSA-N -1 1 315.276 0.010 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@]2(C)CCN([C@@H](C)C(=O)N(C)C)C2)c1[O-] ZINC001046240203 753580792 /nfs/dbraw/zinc/58/07/92/753580792.db2.gz PZMIIVGEOZPENI-ZUZCIYMTSA-N -1 1 323.397 0.095 20 0 DCADMM CNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001046259556 753595436 /nfs/dbraw/zinc/59/54/36/753595436.db2.gz OVSTXAGHJNZDPB-MEBBXXQBSA-N -1 1 306.366 0.116 20 0 DCADMM Cn1cc(CN2CC[C@](C)(NC(=O)c3ncccc3[O-])C2)nn1 ZINC001046261668 753597513 /nfs/dbraw/zinc/59/75/13/753597513.db2.gz GCLOZWGUBXKITL-HNNXBMFYSA-N -1 1 316.365 0.310 20 0 DCADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN([C@@H]2CCCNC2=O)C1 ZINC001046262711 753599278 /nfs/dbraw/zinc/59/92/78/753599278.db2.gz XAEOCKJMHZKTEH-BDJLRTHQSA-N -1 1 318.377 0.260 20 0 DCADMM COCCC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071951925 762252000 /nfs/dbraw/zinc/25/20/00/762252000.db2.gz FSKDCIRLQNJOMP-QWRGUYRKSA-N -1 1 307.350 0.400 20 0 DCADMM C[C@H]1CC[C@@H](NC(=O)c2ccoc2)CN1Cc1nc(=O)n(C)[n-]1 ZINC001071349594 754093226 /nfs/dbraw/zinc/09/32/26/754093226.db2.gz JHSYYUIGQQRIQF-CMPLNLGQSA-N -1 1 319.365 0.484 20 0 DCADMM CCC[C@H](C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1)C(C)C ZINC001113394512 762279831 /nfs/dbraw/zinc/27/98/31/762279831.db2.gz FDBMVQTXYHVJRC-ZDUSSCGKSA-N -1 1 323.441 0.825 20 0 DCADMM O=C(CCOc1cccc(F)c1)NCCNCc1n[nH]c(=O)[n-]1 ZINC001128743445 754250591 /nfs/dbraw/zinc/25/05/91/754250591.db2.gz HZSRBQQYXBZYCP-UHFFFAOYSA-N -1 1 323.328 0.324 20 0 DCADMM O=C(NC1(CNC(=O)[C@@H]2CCCO2)CCC1)c1ncccc1[O-] ZINC001062470726 754754024 /nfs/dbraw/zinc/75/40/24/754754024.db2.gz ROOIECSSUUTORB-LBPRGKRZSA-N -1 1 319.361 0.735 20 0 DCADMM Cc1ccnc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ncccc2[O-])n1 ZINC001062479653 754760278 /nfs/dbraw/zinc/76/02/78/754760278.db2.gz DJHNPMRAUNSVFT-RYUDHWBXSA-N -1 1 311.345 0.989 20 0 DCADMM C/C=C(\C)C(=O)N(C)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001048650392 754839242 /nfs/dbraw/zinc/83/92/42/754839242.db2.gz JCKBBUBPMRRHST-IQNCIHRNSA-N -1 1 319.361 0.397 20 0 DCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCNC1=O)c1ncccc1[O-] ZINC001096991542 755569235 /nfs/dbraw/zinc/56/92/35/755569235.db2.gz YWTCQDLXLBYKIS-WISYIIOYSA-N -1 1 316.361 0.011 20 0 DCADMM CC[C@H](OC)C(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079448128 755830231 /nfs/dbraw/zinc/83/02/31/755830231.db2.gz DDMGIHBEMUIYEZ-ZDUSSCGKSA-N -1 1 321.377 0.885 20 0 DCADMM CCN(C(=O)[C@@H](C)COC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079483881 755855877 /nfs/dbraw/zinc/85/58/77/755855877.db2.gz UPLUIXMIHQDLFL-NSHDSACASA-N -1 1 321.377 0.743 20 0 DCADMM O=C(c1ncccc1[O-])N1CCOC2(CN(CC3CC3)C2)C1 ZINC001053232663 755965711 /nfs/dbraw/zinc/96/57/11/755965711.db2.gz VRIYMMYRVMZEEE-UHFFFAOYSA-N -1 1 303.362 0.724 20 0 DCADMM O=C(N[C@@H]1COC2(CN(CCCF)C2)C1)c1ncccc1[O-] ZINC001053784208 756202288 /nfs/dbraw/zinc/20/22/88/756202288.db2.gz IKYPUDAFBVCWAG-NSHDSACASA-N -1 1 309.341 0.720 20 0 DCADMM CC(C)C(=O)N1CCC(CO)(NC(=O)c2ncccc2[O-])CC1 ZINC001080826379 756361063 /nfs/dbraw/zinc/36/10/63/756361063.db2.gz JRYVMCRNONYZMU-UHFFFAOYSA-N -1 1 321.377 0.527 20 0 DCADMM C[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054340900 756442568 /nfs/dbraw/zinc/44/25/68/756442568.db2.gz KAHGUWFJMBJPKF-JQWIXIFHSA-N -1 1 301.350 0.761 20 0 DCADMM CCc1cc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H](C)C2)[nH]n1 ZINC001054413422 756475082 /nfs/dbraw/zinc/47/50/82/756475082.db2.gz BMJFGWHEDIDEQS-KWQFWETISA-N -1 1 319.369 0.046 20 0 DCADMM Cc1[nH]ccc1C(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054551194 756538647 /nfs/dbraw/zinc/53/86/47/756538647.db2.gz CJGIVBMNYWPJKS-KCJUWKMLSA-N -1 1 304.354 0.397 20 0 DCADMM Cc1ccn(C)c1C(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054594790 756559018 /nfs/dbraw/zinc/55/90/18/756559018.db2.gz IURRXGZBFPYJGO-WDEREUQCSA-N -1 1 318.381 0.408 20 0 DCADMM Cc1cocc1C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054979100 756696223 /nfs/dbraw/zinc/69/62/23/756696223.db2.gz MLBWRECHOPQBME-LDYMZIIASA-N -1 1 305.338 0.662 20 0 DCADMM C[C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054993170 756703977 /nfs/dbraw/zinc/70/39/77/756703977.db2.gz YYSUYTFQJXRGLR-KOLCDFICSA-N -1 1 307.398 0.883 20 0 DCADMM C[C@@H]1CN(C(=O)[C@@H]2CCC2(C)C)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082695273 757232073 /nfs/dbraw/zinc/23/20/73/757232073.db2.gz KQPGMGOSPYUIAW-OUAUKWLOSA-N -1 1 307.398 0.883 20 0 DCADMM O=C1C=CC(=O)N1c1cccnc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170222298 762578239 /nfs/dbraw/zinc/57/82/39/762578239.db2.gz ANEZQZKXKPYRGL-UHFFFAOYSA-N -1 1 323.272 0.627 20 0 DCADMM COc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)nc([S@@](C)=O)n1 ZINC001170227006 762580620 /nfs/dbraw/zinc/58/06/20/762580620.db2.gz WHMOUOAJIXFVCG-JOCHJYFZSA-N -1 1 321.322 0.338 20 0 DCADMM CN1CCN(C)CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001120306354 758279874 /nfs/dbraw/zinc/27/98/74/758279874.db2.gz IQPLSXPPUABPEA-ZIAGYGMSSA-N -1 1 311.426 0.583 20 0 DCADMM O=C(c1cccs1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051408014 758631478 /nfs/dbraw/zinc/63/14/78/758631478.db2.gz VBCHADSLSWBLJV-SECBINFHSA-N -1 1 323.378 0.203 20 0 DCADMM Cc1cc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)co1 ZINC001051572471 758767787 /nfs/dbraw/zinc/76/77/87/758767787.db2.gz WGDGKCNYWCBYHG-LLVKDONJSA-N -1 1 321.337 0.043 20 0 DCADMM COC1CCC(CC(=O)N2CCOC[C@H]2c2nn[n-]n2)CC1 ZINC000824293385 758769567 /nfs/dbraw/zinc/76/95/67/758769567.db2.gz WRXHJTXXYPLMBK-MCIGGMRASA-N -1 1 309.370 0.695 20 0 DCADMM CCC(C)(C)C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051796330 758956440 /nfs/dbraw/zinc/95/64/40/758956440.db2.gz QFYGAQWBDJLJMD-SNVBAGLBSA-N -1 1 311.386 0.264 20 0 DCADMM CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001085535503 759015896 /nfs/dbraw/zinc/01/58/96/759015896.db2.gz KVENKZLWRNFBII-NMKXLXIOSA-N -1 1 319.409 0.187 20 0 DCADMM CN(C[C@H]1CCN1Cc1cnnn1C)C(=O)c1ncccc1[O-] ZINC001085562356 759059258 /nfs/dbraw/zinc/05/92/58/759059258.db2.gz JNCLEFLRMRBQCW-LLVKDONJSA-N -1 1 316.365 0.262 20 0 DCADMM CC(C)=CCN1CC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001085699096 759211299 /nfs/dbraw/zinc/21/12/99/759211299.db2.gz FYTXVMWZVASIIM-SNVBAGLBSA-N -1 1 307.354 0.395 20 0 DCADMM CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1CCC1(C)C ZINC001085775258 759294807 /nfs/dbraw/zinc/29/48/07/759294807.db2.gz SRMVPOGFEVNBEC-RYUDHWBXSA-N -1 1 321.425 0.577 20 0 DCADMM Cc1cc(NC(=O)c2c([O-])c(C)ncc2CO)n2ncnc2n1 ZINC001147833068 767854639 /nfs/dbraw/zinc/85/46/39/767854639.db2.gz DABQMCNBQXVIOI-UHFFFAOYSA-N -1 1 314.305 0.586 20 0 DCADMM Cc1cnn(CCO)c1NC(=O)c1c([O-])c(C)ncc1CO ZINC001147837118 767856478 /nfs/dbraw/zinc/85/64/78/767856478.db2.gz UPQMCLCTLZHNJW-UHFFFAOYSA-N -1 1 306.322 0.337 20 0 DCADMM Cc1ncc(CO)c(C(=O)N2CCC[C@@H](n3ccnn3)C2)c1[O-] ZINC001147840332 767858191 /nfs/dbraw/zinc/85/81/91/767858191.db2.gz IKURRDHWDLBHRT-GFCCVEGCSA-N -1 1 317.349 0.657 20 0 DCADMM CC1=CCN(c2nnc(-c3nnn[n-]3)n2C[C@@H]2CCOC2)CC1 ZINC001123234722 767952266 /nfs/dbraw/zinc/95/22/66/767952266.db2.gz AZMHTCRLEHDDAO-NSHDSACASA-N -1 1 316.369 0.651 20 0 DCADMM CC1=CCN(c2nnc(-c3nn[n-]n3)n2C[C@@H]2CCOC2)CC1 ZINC001123234722 767952270 /nfs/dbraw/zinc/95/22/70/767952270.db2.gz 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CCCn1c2ccccc2n(CCC(=O)Nc2nn[n-]n2)c1=O ZINC000102894899 415601742 /nfs/dbraw/zinc/60/17/42/415601742.db2.gz XBFQRUMMKGHHLO-UHFFFAOYSA-N -1 1 315.337 0.755 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCCc1cscn1 ZINC000343579398 415646234 /nfs/dbraw/zinc/64/62/34/415646234.db2.gz KRDZHKHQQCSLFT-UHFFFAOYSA-N -1 1 306.347 0.332 20 0 DCADMM Cc1ccc([C@H](CNC(=O)c2nc(=O)[nH][n-]2)N2CCCC2)o1 ZINC000101678577 415595893 /nfs/dbraw/zinc/59/58/93/415595893.db2.gz DKKACXIGDYEXJR-JTQLQIEISA-N -1 1 305.338 0.566 20 0 DCADMM CN(CC[N@@H+](C)C1CC1)C(=O)/N=c1/ccnc2n(C)[nH]cc1-2 ZINC000287632740 415670444 /nfs/dbraw/zinc/67/04/44/415670444.db2.gz OFCWASCDXQCCAW-AQTBWJFISA-N -1 1 302.382 0.900 20 0 DCADMM CCC[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1nn[n-]n1 ZINC000343770152 415719091 /nfs/dbraw/zinc/71/90/91/415719091.db2.gz XAUWLIOZILLAPG-ZJUUUORDSA-N -1 1 308.386 0.804 20 0 DCADMM Cc1onc(N)c1S(=O)(=O)[N-][C@]1(C)CCO[C@H]1C1CC1 ZINC000289864138 415729653 /nfs/dbraw/zinc/72/96/53/415729653.db2.gz NHAFWPSBCHMXHL-CMPLNLGQSA-N -1 1 301.368 0.801 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N1CCO[C@H]2CCC[C@H]21 ZINC000343792643 415731163 /nfs/dbraw/zinc/73/11/63/415731163.db2.gz DTMQQPJLJZFGBM-PWSUYJOCSA-N -1 1 305.334 0.297 20 0 DCADMM CN(CCC1CCOCC1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000343827661 415744979 /nfs/dbraw/zinc/74/49/79/415744979.db2.gz MSQIFQOIYYIFPM-UHFFFAOYSA-N -1 1 321.377 0.792 20 0 DCADMM CC[C@@H]1C[C@H](C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)CC(=O)N1 ZINC000425324644 287316597 /nfs/dbraw/zinc/31/65/97/287316597.db2.gz QWBRTTXDHBSQBW-WDEREUQCSA-N -1 1 322.365 0.786 20 0 DCADMM CO[C@@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1cnn(C)c1 ZINC000425326934 287316618 /nfs/dbraw/zinc/31/66/18/287316618.db2.gz UVWNZJKCODOGQC-LLVKDONJSA-N -1 1 321.337 0.602 20 0 DCADMM CSc1n[nH]c(NC(=O)Cc2ccc(-n3cnnn3)cc2)n1 ZINC000354127412 415762010 /nfs/dbraw/zinc/76/20/10/415762010.db2.gz DIDJZSLXWSPXFQ-UHFFFAOYSA-N -1 1 316.350 0.684 20 0 DCADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000290036679 415752455 /nfs/dbraw/zinc/75/24/55/415752455.db2.gz ZHLPTBROFNXETQ-UWVGGRQHSA-N -1 1 301.368 0.801 20 0 DCADMM Cc1cc(NC(=O)CNC(=O)c2ncccc2[O-])cn(C)c1=O ZINC000344127003 415845014 /nfs/dbraw/zinc/84/50/14/415845014.db2.gz MPDZACJMNCKNTR-UHFFFAOYSA-N -1 1 316.317 0.163 20 0 DCADMM Cn1[n-]cc2c(=O)c(C(=O)Nc3ccn(CC(F)F)n3)cnc1-2 ZINC000355745705 415869133 /nfs/dbraw/zinc/86/91/33/415869133.db2.gz DXFOCIHIFFEOIB-UHFFFAOYSA-N -1 1 322.275 1.388 20 0 DCADMM CCOc1ccccc1C(=O)NCC(=O)Nc1ccncc1[O-] ZINC000336908259 415856254 /nfs/dbraw/zinc/85/62/54/415856254.db2.gz ZYGMJCBEOVTWAM-UHFFFAOYSA-N -1 1 315.329 0.976 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@H]2O)co1 ZINC000153110059 415974972 /nfs/dbraw/zinc/97/49/72/415974972.db2.gz DMSWLQZYXSWRGW-GXSJLCMTSA-N -1 1 316.379 0.469 20 0 DCADMM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1nn[nH]c1C(N)=O)O2 ZINC000297896762 415980951 /nfs/dbraw/zinc/98/09/51/415980951.db2.gz VWSVTNLUUVKTQV-JTQLQIEISA-N -1 1 301.306 0.544 20 0 DCADMM C[C@H](C(=O)NC1(c2nn[n-]n2)CC1)n1ccc2ccccc2c1=O ZINC000356788436 415988200 /nfs/dbraw/zinc/98/82/00/415988200.db2.gz WQKNRCZRVOWYML-SNVBAGLBSA-N -1 1 324.344 0.881 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N1CCOC[C@@H]1C1CC1 ZINC000345106866 416045866 /nfs/dbraw/zinc/04/58/66/416045866.db2.gz LWAQJOCMKCOYAA-LLVKDONJSA-N -1 1 305.334 0.154 20 0 DCADMM COC(=O)c1coc(S(=O)(=O)[N-]CCC[S@@](C)=O)c1 ZINC000338215618 416059591 /nfs/dbraw/zinc/05/95/91/416059591.db2.gz YJOHAXKWBBUVML-GOSISDBHSA-N -1 1 309.365 0.113 20 0 DCADMM COC(=O)c1coc(S(=O)(=O)[N-]c2cccn(C)c2=O)c1 ZINC000338217721 416060507 /nfs/dbraw/zinc/06/05/07/416060507.db2.gz XVQVWFOHQUHKCC-UHFFFAOYSA-N -1 1 312.303 0.566 20 0 DCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CC[C@H](F)C1 ZINC000344892676 416004620 /nfs/dbraw/zinc/00/46/20/416004620.db2.gz BXIQFBPOLURMPD-YUMQZZPRSA-N -1 1 305.331 0.755 20 0 DCADMM O=C(Nc1nnn[n-]1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000344912453 416007691 /nfs/dbraw/zinc/00/76/91/416007691.db2.gz MWXXGTOKMAFIDY-GFCCVEGCSA-N -1 1 302.338 0.336 20 0 DCADMM O=C(Nc1nn[n-]n1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000344912453 416007694 /nfs/dbraw/zinc/00/76/94/416007694.db2.gz MWXXGTOKMAFIDY-GFCCVEGCSA-N -1 1 302.338 0.336 20 0 DCADMM CCOC[C@@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000337906537 416019952 /nfs/dbraw/zinc/01/99/52/416019952.db2.gz NIGOXJFXFQJOFX-GFCCVEGCSA-N -1 1 321.377 0.792 20 0 DCADMM CC(C)C[C@@H]1COCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000337894774 416020709 /nfs/dbraw/zinc/02/07/09/416020709.db2.gz CLTYLUSRANJEAX-GFCCVEGCSA-N -1 1 321.377 0.791 20 0 DCADMM COC[C@@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000337915535 416022339 /nfs/dbraw/zinc/02/23/39/416022339.db2.gz UAYHHXYZZKTSRC-LLVKDONJSA-N -1 1 307.350 0.402 20 0 DCADMM COc1ccc2c(c1)[n-]cc(C(=O)N1CCNC(=O)C1)c2=O ZINC000298693449 416022573 /nfs/dbraw/zinc/02/25/73/416022573.db2.gz ZHZVSIYDGSPVID-UHFFFAOYSA-N -1 1 301.302 0.521 20 0 DCADMM O=C(N[C@H]1COc2ccc(F)cc21)c1cc(=O)n2[n-]cnc2n1 ZINC000344990998 416023633 /nfs/dbraw/zinc/02/36/33/416023633.db2.gz QCIGUTULMNCOFR-JTQLQIEISA-N -1 1 315.264 0.420 20 0 DCADMM COCCNC(=O)C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000170657324 416028535 /nfs/dbraw/zinc/02/85/35/416028535.db2.gz WVKCFFXQFIERPU-UHFFFAOYSA-N -1 1 308.306 0.006 20 0 DCADMM COc1cc(C(=O)Nc2ccncc2[O-])ccc1OCC(N)=O ZINC000345358882 416083835 /nfs/dbraw/zinc/08/38/35/416083835.db2.gz JKOXUAMVGPWDSH-UHFFFAOYSA-N -1 1 317.301 0.334 20 0 DCADMM CCC[C@@](C)(NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C(=O)OC ZINC000357592888 416102762 /nfs/dbraw/zinc/10/27/62/416102762.db2.gz DSFZPBWLPBUXOR-CYBMUJFWSA-N -1 1 313.310 0.358 20 0 DCADMM CCO[C@H](C(=O)NCCCc1nc(=O)[n-][nH]1)c1ccccc1 ZINC000176268961 416124591 /nfs/dbraw/zinc/12/45/91/416124591.db2.gz YYCSYKIKZLQPSU-ZDUSSCGKSA-N -1 1 304.350 0.925 20 0 DCADMM COc1ccccc1OCC(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000174582641 416080854 /nfs/dbraw/zinc/08/08/54/416080854.db2.gz LUBRXBZFIAOHSG-UHFFFAOYSA-N -1 1 306.322 0.234 20 0 DCADMM CCOc1ccc(C(=O)NCCCc2nc(=O)[n-][nH]2)cc1OC 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Cc1nccc(NCc2cccc(C(=O)Nc3nnn[n-]3)c2)n1 ZINC000349131037 416252803 /nfs/dbraw/zinc/25/28/03/416252803.db2.gz PHJYTDHHQJKYPY-UHFFFAOYSA-N -1 1 310.321 1.163 20 0 DCADMM Cc1nccc(NCc2cccc(C(=O)Nc3nn[n-]n3)c2)n1 ZINC000349131037 416252808 /nfs/dbraw/zinc/25/28/08/416252808.db2.gz PHJYTDHHQJKYPY-UHFFFAOYSA-N -1 1 310.321 1.163 20 0 DCADMM CCN(CC)CC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000358714440 416272595 /nfs/dbraw/zinc/27/25/95/416272595.db2.gz LKXNAKWMJHXDOG-WCQYABFASA-N -1 1 313.398 0.155 20 0 DCADMM CN1CCO[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000263649036 416338746 /nfs/dbraw/zinc/33/87/46/416338746.db2.gz CXCQGIPKVCMPNT-JTQLQIEISA-N -1 1 306.334 0.574 20 0 DCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCOC2)c1 ZINC000359701467 416354207 /nfs/dbraw/zinc/35/42/07/416354207.db2.gz UTZQKBZFDDIQBB-VIFPVBQESA-N -1 1 314.363 0.665 20 0 DCADMM Cc1cc([C@@]2(C)NC(=O)N(Cc3nc(=O)n(C)[n-]3)C2=O)c(C)o1 ZINC000331520566 416323619 /nfs/dbraw/zinc/32/36/19/416323619.db2.gz FTWMRDQPTZUUJO-CQSZACIVSA-N -1 1 319.321 0.285 20 0 DCADMM NC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000532793273 416455529 /nfs/dbraw/zinc/45/55/29/416455529.db2.gz ITQMBDKIMCSZEX-LLVKDONJSA-N -1 1 300.322 0.318 20 0 DCADMM C[C@@H](CN(C)C(=O)c1n[nH]nc1-c1ccccc1)c1nn[n-]n1 ZINC000435813037 416537830 /nfs/dbraw/zinc/53/78/30/416537830.db2.gz CIELCEIVEUMGBZ-VIFPVBQESA-N -1 1 312.337 0.861 20 0 DCADMM CNC(=O)[C@]1(C)CCN(C(=O)c2c[n-]c3c(cnn3C)c2=O)C1 ZINC000435981402 416544567 /nfs/dbraw/zinc/54/45/67/416544567.db2.gz LPWQAUOPZNHTOK-OAHLLOKOSA-N -1 1 317.349 0.272 20 0 DCADMM CCC[C@@H](NC(=O)[C@@H](C)Sc1nncn1C)c1nn[n-]n1 ZINC000434781310 416495203 /nfs/dbraw/zinc/49/52/03/416495203.db2.gz BSZBAXIAFZQKMR-HTQZYQBOSA-N -1 1 310.387 0.466 20 0 DCADMM O=C(CSc1n[nH]c(Cc2cccs2)n1)Nc1nnn[n-]1 ZINC000439255530 416609597 /nfs/dbraw/zinc/60/95/97/416609597.db2.gz ATRMJDJCWMJHLL-UHFFFAOYSA-N -1 1 322.379 0.701 20 0 DCADMM O=C(CSc1n[nH]c(Cc2cccs2)n1)Nc1nn[n-]n1 ZINC000439255530 416609603 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320.357 0.369 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCCCO)C2CC2)n1 ZINC000822605047 606697379 /nfs/dbraw/zinc/69/73/79/606697379.db2.gz WDIJXIMDYSXQON-UHFFFAOYSA-N -1 1 320.357 0.369 20 0 DCADMM CCOC(=O)[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821313822 606805955 /nfs/dbraw/zinc/80/59/55/606805955.db2.gz IKPJBOOFCOVDQJ-QMMMGPOBSA-N -1 1 304.310 0.285 20 0 DCADMM CCOC(=O)[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821313822 606805957 /nfs/dbraw/zinc/80/59/57/606805957.db2.gz IKPJBOOFCOVDQJ-QMMMGPOBSA-N -1 1 304.310 0.285 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H]2CCC[C@H]21 ZINC000823600058 606874442 /nfs/dbraw/zinc/87/44/42/606874442.db2.gz CEGJCEHQFIGNLU-LDYMZIIASA-N -1 1 306.351 0.435 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H]2CCC[C@H]21 ZINC000823600058 606874444 /nfs/dbraw/zinc/87/44/44/606874444.db2.gz CEGJCEHQFIGNLU-LDYMZIIASA-N -1 1 306.351 0.435 20 0 DCADMM COc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)ccc1F ZINC000821707613 606967955 /nfs/dbraw/zinc/96/79/55/606967955.db2.gz BPFCNSGKNDJPKA-UHFFFAOYSA-N -1 1 303.257 0.482 20 0 DCADMM CC(C)S(=O)(=O)CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820178205 607109418 /nfs/dbraw/zinc/10/94/18/607109418.db2.gz KWGVFEJMAJPAEY-UHFFFAOYSA-N -1 1 316.368 0.085 20 0 DCADMM CC(C)S(=O)(=O)CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820178205 607109419 /nfs/dbraw/zinc/10/94/19/607109419.db2.gz KWGVFEJMAJPAEY-UHFFFAOYSA-N -1 1 316.368 0.085 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cnc2ccccc2c1 ZINC000823136189 607206248 /nfs/dbraw/zinc/20/62/48/607206248.db2.gz NTFQMNNTXMCBOU-UHFFFAOYSA-N -1 1 321.304 0.645 20 0 DCADMM CC[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820979320 607207495 /nfs/dbraw/zinc/20/74/95/607207495.db2.gz GWZIYDHWDBKPEA-UWVGGRQHSA-N -1 1 304.358 0.543 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000823126903 607210631 /nfs/dbraw/zinc/21/06/31/607210631.db2.gz NEZUORMQUYOERM-WDEREUQCSA-N -1 1 310.321 0.131 20 0 DCADMM Cc1cccc2c1CCN(C(=O)Cn1cnc(-c3nn[n-]n3)n1)C2 ZINC000822341513 607214600 /nfs/dbraw/zinc/21/46/00/607214600.db2.gz ZAMOHXVLCAPTLQ-UHFFFAOYSA-N -1 1 324.348 0.352 20 0 DCADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820675525 607217164 /nfs/dbraw/zinc/21/71/64/607217164.db2.gz JYUBVAIFBMTJAE-VWYCJHECSA-N -1 1 316.369 0.638 20 0 DCADMM C[C@H]1CCC[C@H](C)N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820691112 607219412 /nfs/dbraw/zinc/21/94/12/607219412.db2.gz VLKBFZJWFATOTG-UWVGGRQHSA-N -1 1 304.358 0.495 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000823127118 607219862 /nfs/dbraw/zinc/21/98/62/607219862.db2.gz UCZUFMJVDXIUQQ-OUAUKWLOSA-N -1 1 316.369 0.543 20 0 DCADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821034578 607220328 /nfs/dbraw/zinc/22/03/28/607220328.db2.gz PIGWVCXOTSHDJJ-WDEREUQCSA-N -1 1 318.385 0.885 20 0 DCADMM CCS[C@H]1CCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821456067 607221485 /nfs/dbraw/zinc/22/14/85/607221485.db2.gz NBODDMMJYKNKER-BDAKNGLRSA-N -1 1 322.398 0.249 20 0 DCADMM CC1(C)CCCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820597226 607222819 /nfs/dbraw/zinc/22/28/19/607222819.db2.gz ZXWSRWSSDCZPQN-SECBINFHSA-N -1 1 304.358 0.543 20 0 DCADMM CS[C@H](CO)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821950485 607224957 /nfs/dbraw/zinc/22/49/57/607224957.db2.gz NRDTZJOQRKWPAB-OIBJUYFYSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@H](CO)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821950485 607224958 /nfs/dbraw/zinc/22/49/58/607224958.db2.gz NRDTZJOQRKWPAB-OIBJUYFYSA-N -1 1 308.367 0.104 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826229629 607781805 /nfs/dbraw/zinc/78/18/05/607781805.db2.gz LFHSSXUZBQPNJZ-ZCFIWIBFSA-N -1 1 322.350 0.208 20 0 DCADMM CS(=O)(=O)N1CCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000826223547 607810264 /nfs/dbraw/zinc/81/02/64/607810264.db2.gz QVDZNOPJKQNODS-SECBINFHSA-N -1 1 323.382 0.098 20 0 DCADMM CS(=O)(=O)N1CCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000826223547 607810265 /nfs/dbraw/zinc/81/02/65/607810265.db2.gz QVDZNOPJKQNODS-SECBINFHSA-N -1 1 323.382 0.098 20 0 DCADMM CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825908859 607862599 /nfs/dbraw/zinc/86/25/99/607862599.db2.gz NIOLDWDNQCAFLJ-JQWIXIFHSA-N -1 1 302.338 0.495 20 0 DCADMM CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825908859 607862600 /nfs/dbraw/zinc/86/26/00/607862600.db2.gz NIOLDWDNQCAFLJ-JQWIXIFHSA-N -1 1 302.338 0.495 20 0 DCADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCO1 ZINC000825134307 607912925 /nfs/dbraw/zinc/91/29/25/607912925.db2.gz SPXFLTAVOIXGPE-CMPLNLGQSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCO1 ZINC000825134307 607912926 /nfs/dbraw/zinc/91/29/26/607912926.db2.gz SPXFLTAVOIXGPE-CMPLNLGQSA-N -1 1 302.338 0.949 20 0 DCADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCSC1 ZINC000825820801 607919715 /nfs/dbraw/zinc/91/97/15/607919715.db2.gz UKDRSDHFXVCKNO-ZETCQYMHSA-N -1 1 308.371 0.569 20 0 DCADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCSC1 ZINC000825820801 607919716 /nfs/dbraw/zinc/91/97/16/607919716.db2.gz UKDRSDHFXVCKNO-ZETCQYMHSA-N -1 1 308.371 0.569 20 0 DCADMM Oc1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826511147 607988135 /nfs/dbraw/zinc/98/81/35/607988135.db2.gz DJIXOLKRKFWHAF-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Oc1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826511147 607988136 /nfs/dbraw/zinc/98/81/36/607988136.db2.gz DJIXOLKRKFWHAF-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Cn1cc(C=CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cn1 ZINC000826359696 607998754 /nfs/dbraw/zinc/99/87/54/607998754.db2.gz OAZZXGVMCBWSFL-GORDUTHDSA-N -1 1 311.305 0.958 20 0 DCADMM O=S(=O)(NCCn1ccnc1-c1nnn[n-]1)c1ccccc1 ZINC000826491614 608013771 /nfs/dbraw/zinc/01/37/71/608013771.db2.gz RVPMOGTWOFBJJA-UHFFFAOYSA-N -1 1 319.350 0.042 20 0 DCADMM O=S(=O)(NCCn1ccnc1-c1nn[n-]n1)c1ccccc1 ZINC000826491614 608013772 /nfs/dbraw/zinc/01/37/72/608013772.db2.gz RVPMOGTWOFBJJA-UHFFFAOYSA-N -1 1 319.350 0.042 20 0 DCADMM CN(CCO)c1ccc(NCc2ccc(-c3nnn[n-]3)o2)nc1 ZINC000825942101 608112127 /nfs/dbraw/zinc/11/21/27/608112127.db2.gz WKAOXSXZDFUUHP-UHFFFAOYSA-N -1 1 315.337 0.895 20 0 DCADMM CN(CCO)c1ccc(NCc2ccc(-c3nn[n-]n3)o2)nc1 ZINC000825942101 608112128 /nfs/dbraw/zinc/11/21/28/608112128.db2.gz WKAOXSXZDFUUHP-UHFFFAOYSA-N -1 1 315.337 0.895 20 0 DCADMM C[S@](=O)c1nncn1-c1snc(Cl)c1-c1nnn[n-]1 ZINC000826225013 608184156 /nfs/dbraw/zinc/18/41/56/608184156.db2.gz RCDGUDGIVJDCAX-IBGZPJMESA-N -1 1 316.759 0.295 20 0 DCADMM C[S@](=O)c1nncn1-c1snc(Cl)c1-c1nn[n-]n1 ZINC000826225013 608184158 /nfs/dbraw/zinc/18/41/58/608184158.db2.gz RCDGUDGIVJDCAX-IBGZPJMESA-N -1 1 316.759 0.295 20 0 DCADMM Cn1nccc1[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826366799 608402203 /nfs/dbraw/zinc/40/22/03/608402203.db2.gz YGEQOJQXELPISD-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nccc1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826366799 608402205 /nfs/dbraw/zinc/40/22/05/608402205.db2.gz YGEQOJQXELPISD-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM c1cc(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1-c1nnn[n-]1 ZINC000826517319 608431906 /nfs/dbraw/zinc/43/19/06/608431906.db2.gz YPPLRKZKFDBOGA-MNOVXSKESA-N -1 1 303.326 0.041 20 0 DCADMM c1cc(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1-c1nn[n-]n1 ZINC000826517319 608431908 /nfs/dbraw/zinc/43/19/08/608431908.db2.gz YPPLRKZKFDBOGA-MNOVXSKESA-N -1 1 303.326 0.041 20 0 DCADMM CO[C@@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826146630 608473695 /nfs/dbraw/zinc/47/36/95/608473695.db2.gz YSNPPSIDZOMJLO-JOYOIKCWSA-N -1 1 302.338 0.807 20 0 DCADMM CO[C@@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826146630 608473697 /nfs/dbraw/zinc/47/36/97/608473697.db2.gz YSNPPSIDZOMJLO-JOYOIKCWSA-N -1 1 302.338 0.807 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(C)(C)F ZINC000825923275 608559069 /nfs/dbraw/zinc/55/90/69/608559069.db2.gz FINUCADLUZWJHH-UHFFFAOYSA-N -1 1 310.337 0.311 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(C)(C)F ZINC000825923275 608559070 /nfs/dbraw/zinc/55/90/70/608559070.db2.gz FINUCADLUZWJHH-UHFFFAOYSA-N -1 1 310.337 0.311 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](C)O ZINC000822535451 608580760 /nfs/dbraw/zinc/58/07/60/608580760.db2.gz RYYIWEBTRLNPJL-QMMMGPOBSA-N -1 1 316.321 0.669 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](C)O ZINC000822535451 608580762 /nfs/dbraw/zinc/58/07/62/608580762.db2.gz RYYIWEBTRLNPJL-QMMMGPOBSA-N -1 1 316.321 0.669 20 0 DCADMM CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825659447 608702270 /nfs/dbraw/zinc/70/22/70/608702270.db2.gz UEPNIDCWFMKGDC-VIFPVBQESA-N -1 1 313.383 0.715 20 0 DCADMM CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825659447 608702271 /nfs/dbraw/zinc/70/22/71/608702271.db2.gz UEPNIDCWFMKGDC-VIFPVBQESA-N -1 1 313.383 0.715 20 0 DCADMM CCOC(=O)[C@@]1(CCn2ccnc2-c2nnn[n-]2)CCCC1=O ZINC000825494137 608891772 /nfs/dbraw/zinc/89/17/72/608891772.db2.gz UDAQKMCMUOQZQU-CQSZACIVSA-N -1 1 318.337 0.756 20 0 DCADMM CCOC(=O)[C@@]1(CCn2ccnc2-c2nn[n-]n2)CCCC1=O ZINC000825494137 608891773 /nfs/dbraw/zinc/89/17/73/608891773.db2.gz UDAQKMCMUOQZQU-CQSZACIVSA-N -1 1 318.337 0.756 20 0 DCADMM O=C(Nc1nnc2n1CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826460817 609176486 /nfs/dbraw/zinc/17/64/86/609176486.db2.gz TUWGBKKGEKPLCC-UHFFFAOYSA-N -1 1 311.309 0.442 20 0 DCADMM O=C(Nc1nnc2n1CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826460817 609176487 /nfs/dbraw/zinc/17/64/87/609176487.db2.gz TUWGBKKGEKPLCC-UHFFFAOYSA-N -1 1 311.309 0.442 20 0 DCADMM COC[C@@](C)(CCO)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826148371 609398550 /nfs/dbraw/zinc/39/85/50/609398550.db2.gz GYEBFJLKMFCIBV-GFCCVEGCSA-N -1 1 311.367 0.446 20 0 DCADMM COC[C@@](C)(CCO)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826148371 609398552 /nfs/dbraw/zinc/39/85/52/609398552.db2.gz GYEBFJLKMFCIBV-GFCCVEGCSA-N -1 1 311.367 0.446 20 0 DCADMM COC[C@](C)(CCO)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826148372 609398802 /nfs/dbraw/zinc/39/88/02/609398802.db2.gz GYEBFJLKMFCIBV-LBPRGKRZSA-N -1 1 311.367 0.446 20 0 DCADMM COC[C@](C)(CCO)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826148372 609398803 /nfs/dbraw/zinc/39/88/03/609398803.db2.gz GYEBFJLKMFCIBV-LBPRGKRZSA-N -1 1 311.367 0.446 20 0 DCADMM C[C@H](C[S@@](C)=O)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824449752 609598295 /nfs/dbraw/zinc/59/82/95/609598295.db2.gz PHSHORCZYRXPDA-CWMRNNLJSA-N -1 1 317.378 0.989 20 0 DCADMM C[C@H](C[S@@](C)=O)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824449752 609598297 /nfs/dbraw/zinc/59/82/97/609598297.db2.gz PHSHORCZYRXPDA-CWMRNNLJSA-N -1 1 317.378 0.989 20 0 DCADMM CCOC(=O)C1(S(=O)(=O)[N-][C@@](C)(CC)C(=O)OC)CCC1 ZINC000866681096 667387159 /nfs/dbraw/zinc/38/71/59/667387159.db2.gz UBYWOTHLLMBPMX-LBPRGKRZSA-N -1 1 321.395 0.733 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)CC2CC2)CCO1 ZINC000979143561 660672211 /nfs/dbraw/zinc/67/22/11/660672211.db2.gz MZFDKMDGRJFMAZ-GXSJLCMTSA-N -1 1 309.370 0.016 20 0 DCADMM O=C(C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1O)N1CCC1 ZINC001027760986 660700676 /nfs/dbraw/zinc/70/06/76/660700676.db2.gz DWPHHQCJPQMGAK-CYBMUJFWSA-N -1 1 317.389 0.819 20 0 DCADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)NCCN(C)C ZINC000905196520 663537605 /nfs/dbraw/zinc/53/76/05/663537605.db2.gz LFVFEXCMUBYRAG-UHFFFAOYSA-N -1 1 304.343 0.672 20 0 DCADMM COC(=O)c1ccc(C(=O)O[C@H]2CN(C)[C@@](C)(C(=O)OC)C2)[n-]1 ZINC000893569223 660819153 /nfs/dbraw/zinc/81/91/53/660819153.db2.gz AKUJCBACMFRKMF-RFAUZJTJSA-N -1 1 324.333 0.594 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2COC[C@H]2C2CC2)c1Cl ZINC000908415571 663754405 /nfs/dbraw/zinc/75/44/05/663754405.db2.gz SFDIBWGDKSUKJG-DTWKUNHWSA-N -1 1 305.787 0.777 20 0 DCADMM O=C(CN1CCCN(C(=O)c2ncccc2[O-])CC1)N1CCC1 ZINC000981026362 661067232 /nfs/dbraw/zinc/06/72/32/661067232.db2.gz BZPBVYHMWDDJEI-UHFFFAOYSA-N -1 1 318.377 0.167 20 0 DCADMM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC000885189853 667650778 /nfs/dbraw/zinc/65/07/78/667650778.db2.gz YIEXPUWNZIYWOR-SSDOTTSWSA-N -1 1 310.734 0.833 20 0 DCADMM O=C(CN1CCC[C@H](OCCO)C1)[N-]OCc1ccccc1 ZINC000180496119 665440614 /nfs/dbraw/zinc/44/06/14/665440614.db2.gz LVUMWPLXMMKNRW-HNNXBMFYSA-N -1 1 308.378 0.708 20 0 DCADMM O=C1C[C@H](CC[N-]S(=O)(=O)c2cc(F)ccc2F)CN1 ZINC000921651263 665443012 /nfs/dbraw/zinc/44/30/12/665443012.db2.gz PFKZLEGOFYHYNI-QMMMGPOBSA-N -1 1 304.318 0.769 20 0 DCADMM Cc1cnc(C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000998443543 665456089 /nfs/dbraw/zinc/45/60/89/665456089.db2.gz DXHDIKXJNWFJLK-SNVBAGLBSA-N -1 1 317.353 0.003 20 0 DCADMM CCc1ccc(C(=O)NCC2CN(Cc3nc(=O)n(C)[n-]3)C2)o1 ZINC001031774720 665483569 /nfs/dbraw/zinc/48/35/69/665483569.db2.gz KKQURTUXRRKIRA-UHFFFAOYSA-N -1 1 319.365 0.126 20 0 DCADMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000970393295 657472857 /nfs/dbraw/zinc/47/28/57/657472857.db2.gz LLHIWJVGUKCBJP-DMDPSCGWSA-N -1 1 321.425 0.481 20 0 DCADMM C/C(=C/C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C1CC1 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DCADMM CCC(=O)NCC1(O)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001074559139 694907630 /nfs/dbraw/zinc/90/76/30/694907630.db2.gz RQJGTTQPGCQTMY-UHFFFAOYSA-N -1 1 307.350 0.281 20 0 DCADMM CO[C@@H](C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C)C1CC1 ZINC001074632604 694914024 /nfs/dbraw/zinc/91/40/24/694914024.db2.gz VVUZOWXVCQERMZ-PTOFAABTSA-N -1 1 309.370 0.014 20 0 DCADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)[C@H]4CC4(C)C)[C@@H]3C2)nc1=O ZINC001075689088 694968443 /nfs/dbraw/zinc/96/84/43/694968443.db2.gz HGCYNLYQPDAQJC-QJPTWQEYSA-N -1 1 319.409 0.187 20 0 DCADMM C[C@@H](CCNC(=O)c1cnns1)NC(=O)c1ncccc1[O-] ZINC001075757969 694974244 /nfs/dbraw/zinc/97/42/44/694974244.db2.gz XNZWQCIQCUFSMJ-QMMMGPOBSA-N -1 1 321.362 0.577 20 0 DCADMM C[C@@H](CCNC(=O)[C@@H]1CCOC1)NC(=O)c1ncccc1[O-] ZINC001075847731 694980581 /nfs/dbraw/zinc/98/05/81/694980581.db2.gz IDYXLCITNKOHJR-WDEREUQCSA-N -1 1 307.350 0.448 20 0 DCADMM COC[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001075908409 694985120 /nfs/dbraw/zinc/98/51/20/694985120.db2.gz NAGGCPUDMJBNHH-MNOVXSKESA-N -1 1 309.366 0.694 20 0 DCADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001076246274 695008505 /nfs/dbraw/zinc/00/85/05/695008505.db2.gz LLSJFSNFSGSILZ-MEWQQHAOSA-N -1 1 319.361 0.304 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001076264912 695010134 /nfs/dbraw/zinc/01/01/34/695010134.db2.gz ZWZNNPFKLTYLJZ-YVECIDJPSA-N -1 1 319.409 0.187 20 0 DCADMM COC1CC(C(=O)NCC[C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001076993983 695119611 /nfs/dbraw/zinc/11/96/11/695119611.db2.gz HPXKKIKKAMJXBL-UNXYVOJBSA-N -1 1 321.377 0.837 20 0 DCADMM COCCS(=O)(=O)CCCN1CCC[C@@H](CC(=O)[O-])C1 ZINC001649723937 1157426125 /nfs/dbraw/zinc/42/61/25/1157426125.db2.gz PJTUSODGNFMMDI-LBPRGKRZSA-N -1 1 307.412 0.624 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001691387510 1157659371 /nfs/dbraw/zinc/65/93/71/1157659371.db2.gz HKSPYRMQIFKWHU-YGRLFVJLSA-N -1 1 309.370 0.018 20 0 DCADMM CN(CCCNC(=O)c1cocn1)C(=O)c1ncccc1[O-] ZINC001687412145 1158297135 /nfs/dbraw/zinc/29/71/35/1158297135.db2.gz IABGRKSSKCQNOY-UHFFFAOYSA-N -1 1 304.306 0.667 20 0 DCADMM CC[C@H](OC)C(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001687444268 1158602770 /nfs/dbraw/zinc/60/27/70/1158602770.db2.gz MSBSYJIFANRABH-LBPRGKRZSA-N -1 1 309.366 0.791 20 0 DCADMM O=C(N[C@@H]1COC[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000323098394 1158756401 /nfs/dbraw/zinc/75/64/01/1158756401.db2.gz UVDDGEYBUYHAGB-SCZZXKLOSA-N -1 1 302.124 0.644 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2csnn2)co1 ZINC001649151266 1158820238 /nfs/dbraw/zinc/82/02/38/1158820238.db2.gz ASFQNTVKVBACOM-UHFFFAOYSA-N -1 1 303.321 0.396 20 0 DCADMM C/C=C/[C@H](O)C(=O)N1CCC[C@H]1c1nn[n-]c1C(=O)OCC ZINC001303495114 1159154055 /nfs/dbraw/zinc/15/40/55/1159154055.db2.gz PQJXRWVLHLMBHD-YEXVBOHQSA-N -1 1 308.338 0.582 20 0 DCADMM C/C=C/[C@H](O)C(=O)N1CCC[C@H]1c1[n-]nnc1C(=O)OCC ZINC001303495114 1159154058 /nfs/dbraw/zinc/15/40/58/1159154058.db2.gz PQJXRWVLHLMBHD-YEXVBOHQSA-N -1 1 308.338 0.582 20 0 DCADMM C/C=C/[C@H](O)C(=O)N1CCC[C@H]1c1n[n-]nc1C(=O)OCC ZINC001303495114 1159154061 /nfs/dbraw/zinc/15/40/61/1159154061.db2.gz PQJXRWVLHLMBHD-YEXVBOHQSA-N -1 1 308.338 0.582 20 0 DCADMM CCOCC(=O)N[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001390201064 1159214185 /nfs/dbraw/zinc/21/41/85/1159214185.db2.gz JLCRDULMDFZNAD-HNNXBMFYSA-N -1 1 307.350 0.545 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](C)S(C)(=O)=O ZINC001446350887 1159391315 /nfs/dbraw/zinc/39/13/15/1159391315.db2.gz OLPXELOLNOKRHK-ZCFIWIBFSA-N -1 1 319.408 0.375 20 0 DCADMM CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CC1(F)F ZINC001448276106 1159730144 /nfs/dbraw/zinc/73/01/44/1159730144.db2.gz XDRVQLHMGUCFMH-DTWKUNHWSA-N -1 1 317.340 0.930 20 0 DCADMM CC(C)(C)c1nnc2n1CCN(C(=O)CCc1nn[n-]n1)C2 ZINC001453875529 1159754843 /nfs/dbraw/zinc/75/48/43/1159754843.db2.gz FACQNRTZEKDNGT-UHFFFAOYSA-N -1 1 304.358 0.064 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(O)c(Cl)c1 ZINC001455439260 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ZINC001573610650 1163515518 /nfs/dbraw/zinc/51/55/18/1163515518.db2.gz CVMCZEWMRNTFLD-PBHICJAKSA-N -1 1 318.373 0.823 20 0 DCADMM COC(=O)C[C@@H](C)C(=O)N1CC[C@H](c2[nH]ncc2C(=O)[O-])C1 ZINC001573915021 1163584167 /nfs/dbraw/zinc/58/41/67/1163584167.db2.gz RRALGQOSHWWASE-BDAKNGLRSA-N -1 1 309.322 0.623 20 0 DCADMM COC1(C[C@H](NC(=O)CCN2CC[C@H](F)C2)C(=O)[O-])CCC1 ZINC001573954725 1163600151 /nfs/dbraw/zinc/60/01/51/1163600151.db2.gz RIDXCIPHACPOGP-RYUDHWBXSA-N -1 1 316.373 0.949 20 0 DCADMM CC(C)C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573964188 1163606073 /nfs/dbraw/zinc/60/60/73/1163606073.db2.gz CCENOLQNXCBNHT-JTQLQIEISA-N -1 1 316.369 0.255 20 0 DCADMM CC(C)C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573964188 1163606087 /nfs/dbraw/zinc/60/60/87/1163606087.db2.gz CCENOLQNXCBNHT-JTQLQIEISA-N -1 1 316.369 0.255 20 0 DCADMM COc1cc(CCNC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)ccn1 ZINC001574014397 1163624588 /nfs/dbraw/zinc/62/45/88/1163624588.db2.gz DGOFIYYEBRDGTN-CYBMUJFWSA-N -1 1 321.377 0.546 20 0 DCADMM COc1cc(CCNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)ccn1 ZINC001574014397 1163624593 /nfs/dbraw/zinc/62/45/93/1163624593.db2.gz DGOFIYYEBRDGTN-CYBMUJFWSA-N -1 1 321.377 0.546 20 0 DCADMM Cc1[nH]c(CN2CC[C@@H](CNS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001574110510 1163638503 /nfs/dbraw/zinc/63/85/03/1163638503.db2.gz HXFMWGPATZKSMZ-JTQLQIEISA-N -1 1 315.395 0.392 20 0 DCADMM Cc1nc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])n[nH]1 ZINC001574178668 1163652774 /nfs/dbraw/zinc/65/27/74/1163652774.db2.gz LWRCPPSOZLQTJC-LLVKDONJSA-N -1 1 303.322 0.608 20 0 DCADMM Cc1nnc2n1CCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1)[C@H]2C ZINC001574197032 1163659599 /nfs/dbraw/zinc/65/95/99/1163659599.db2.gz GIIUUOULOJUALM-JQWIXIFHSA-N -1 1 321.381 0.286 20 0 DCADMM O=C(CN1CCC[C@H](C(=O)[O-])C1)NCc1nnc(C2CC2)[nH]1 ZINC001574299254 1163687653 /nfs/dbraw/zinc/68/76/53/1163687653.db2.gz ATTCXIFLDGAKLI-JTQLQIEISA-N -1 1 307.354 0.095 20 0 DCADMM O=C([O-])N1CC[C@H](NC(=O)c2cccc3nc(CO)[nH]c32)C1 ZINC001574314430 1163695194 /nfs/dbraw/zinc/69/51/94/1163695194.db2.gz YMQXZKTZYPNZMW-QMMMGPOBSA-N -1 1 304.306 0.537 20 0 DCADMM O=C([O-])[C@@]1(CNC(=O)[C@H]2CCCc3nn[nH]c32)CCCOC1 ZINC001574322134 1163696149 /nfs/dbraw/zinc/69/61/49/1163696149.db2.gz LZCDUGAMSAKXNX-LKFCYVNXSA-N -1 1 308.338 0.222 20 0 DCADMM O=C([O-])c1cc(CNC(=O)NCc2n[nH]c(C3CC3)n2)on1 ZINC001574331072 1163697994 /nfs/dbraw/zinc/69/79/94/1163697994.db2.gz LADMYDYECQYHCG-UHFFFAOYSA-N -1 1 306.282 0.368 20 0 DCADMM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)N[C@H]3CCc4nc[nH]c4C3)C[C@@H]21 ZINC001574403907 1163714757 /nfs/dbraw/zinc/71/47/57/1163714757.db2.gz ZYCVOFRJERVLNZ-MPXOCVNLSA-N -1 1 304.350 0.629 20 0 DCADMM O=C([O-])c1cc(CN2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)on1 ZINC001574408879 1163716057 /nfs/dbraw/zinc/71/60/57/1163716057.db2.gz RKBFDSRXZLFPOS-SSDOTTSWSA-N -1 1 306.278 0.564 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@H]1CCN(C(=O)c2ccc[nH]c2=O)C1 ZINC001574415349 1163717201 /nfs/dbraw/zinc/71/72/01/1163717201.db2.gz QNEHZWXTAHOPSL-QMMMGPOBSA-N -1 1 302.290 0.838 20 0 DCADMM CC(C)C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574801507 1163756260 /nfs/dbraw/zinc/75/62/60/1163756260.db2.gz LZFYRBWEDHBIIR-SECBINFHSA-N -1 1 304.358 0.254 20 0 DCADMM C[C@@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)CCCF ZINC001574809241 1163757058 /nfs/dbraw/zinc/75/70/58/1163757058.db2.gz MSSZTTFRRMCLEI-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM C[C@@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)CCCF ZINC001574809241 1163757065 /nfs/dbraw/zinc/75/70/65/1163757065.db2.gz MSSZTTFRRMCLEI-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM C[C@@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C)CC1 ZINC001574811324 1163757170 /nfs/dbraw/zinc/75/71/70/1163757170.db2.gz NZCLASLWIPGGNI-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C)CC1 ZINC001574811324 1163757176 /nfs/dbraw/zinc/75/71/76/1163757176.db2.gz NZCLASLWIPGGNI-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)CC1CC1 ZINC001574809829 1163757834 /nfs/dbraw/zinc/75/78/34/1163757834.db2.gz QFCGRSLJAARLEL-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)CC1CC1 ZINC001574809829 1163757837 /nfs/dbraw/zinc/75/78/37/1163757837.db2.gz QFCGRSLJAARLEL-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574828920 1163761953 /nfs/dbraw/zinc/76/19/53/1163761953.db2.gz BOULGBCLPLZRPQ-MRVPVSSYSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574828920 1163761957 /nfs/dbraw/zinc/76/19/57/1163761957.db2.gz BOULGBCLPLZRPQ-MRVPVSSYSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC12CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574860566 1163774097 /nfs/dbraw/zinc/77/40/97/1163774097.db2.gz ANDYSTNOTQQHCF-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC12CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574860566 1163774103 /nfs/dbraw/zinc/77/41/03/1163774103.db2.gz ANDYSTNOTQQHCF-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC1(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574861253 1163774886 /nfs/dbraw/zinc/77/48/86/1163774886.db2.gz GAMSBMRLHWKEHG-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC1(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574861253 1163774891 /nfs/dbraw/zinc/77/48/91/1163774891.db2.gz GAMSBMRLHWKEHG-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccnn1C ZINC001575302547 1163967104 /nfs/dbraw/zinc/96/71/04/1163967104.db2.gz JILNPNXECGZMRT-MRVPVSSYSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccnn1C ZINC001575302547 1163967111 /nfs/dbraw/zinc/96/71/11/1163967111.db2.gz JILNPNXECGZMRT-MRVPVSSYSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccn(C)n1 ZINC001575303170 1163968555 /nfs/dbraw/zinc/96/85/55/1163968555.db2.gz LMNWBCHIPULGNW-MRVPVSSYSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccn(C)n1 ZINC001575303170 1163968563 /nfs/dbraw/zinc/96/85/63/1163968563.db2.gz LMNWBCHIPULGNW-MRVPVSSYSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccn(C)n1 ZINC001575303290 1163968707 /nfs/dbraw/zinc/96/87/07/1163968707.db2.gz NPKQCBGRAPHWFK-SSDOTTSWSA-N -1 1 316.329 0.216 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccn(C)n1 ZINC001575303290 1163968710 /nfs/dbraw/zinc/96/87/10/1163968710.db2.gz NPKQCBGRAPHWFK-SSDOTTSWSA-N -1 1 316.329 0.216 20 0 DCADMM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001575492540 1164034700 /nfs/dbraw/zinc/03/47/00/1164034700.db2.gz YNHLWFIXVNFCPG-DTWKUNHWSA-N -1 1 321.341 0.123 20 0 DCADMM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001575492540 1164034705 /nfs/dbraw/zinc/03/47/05/1164034705.db2.gz YNHLWFIXVNFCPG-DTWKUNHWSA-N -1 1 321.341 0.123 20 0 DCADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001575492539 1164034938 /nfs/dbraw/zinc/03/49/38/1164034938.db2.gz YNHLWFIXVNFCPG-BDAKNGLRSA-N -1 1 321.341 0.123 20 0 DCADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001575492539 1164034944 /nfs/dbraw/zinc/03/49/44/1164034944.db2.gz YNHLWFIXVNFCPG-BDAKNGLRSA-N -1 1 321.341 0.123 20 0 DCADMM CC(C)OC[C@H](N)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001575791237 1164153006 /nfs/dbraw/zinc/15/30/06/1164153006.db2.gz YKWGCIFYSVTJMN-NSHDSACASA-N -1 1 306.322 0.721 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CC(C)C1 ZINC001575964876 1164196131 /nfs/dbraw/zinc/19/61/31/1164196131.db2.gz FSMJLJJAPGREAZ-HWOCKDDLSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC(C)C1 ZINC001575964876 1164196135 /nfs/dbraw/zinc/19/61/35/1164196135.db2.gz FSMJLJJAPGREAZ-HWOCKDDLSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CCN1c1cnccn1 ZINC001576367332 1164316876 /nfs/dbraw/zinc/31/68/76/1164316876.db2.gz ZUGGGGUVZDZNSJ-LLVKDONJSA-N -1 1 323.364 0.767 20 0 DCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CCN1c1cnccn1 ZINC001576367332 1164316880 /nfs/dbraw/zinc/31/68/80/1164316880.db2.gz ZUGGGGUVZDZNSJ-LLVKDONJSA-N -1 1 323.364 0.767 20 0 DCADMM CCC(=O)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001576407133 1164329763 /nfs/dbraw/zinc/32/97/63/1164329763.db2.gz MSCCKXMQCPTMJC-UHFFFAOYSA-N -1 1 318.385 0.740 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001576425170 1164340052 /nfs/dbraw/zinc/34/00/52/1164340052.db2.gz FWOMXYSOZVDGHA-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001576425170 1164340054 /nfs/dbraw/zinc/34/00/54/1164340054.db2.gz FWOMXYSOZVDGHA-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576441237 1164346120 /nfs/dbraw/zinc/34/61/20/1164346120.db2.gz VPJHVKMSLGLWGP-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576441237 1164346124 /nfs/dbraw/zinc/34/61/24/1164346124.db2.gz VPJHVKMSLGLWGP-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001576475697 1164358683 /nfs/dbraw/zinc/35/86/83/1164358683.db2.gz HYGXKVILXUQERA-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001576475697 1164358690 /nfs/dbraw/zinc/35/86/90/1164358690.db2.gz HYGXKVILXUQERA-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CC[C@H](CNC(=O)C=C(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576804115 1164470011 /nfs/dbraw/zinc/47/00/11/1164470011.db2.gz OWLWJSMVZUIUNV-SNVBAGLBSA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@H](CNC(=O)C=C(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576804115 1164470017 /nfs/dbraw/zinc/47/00/17/1164470017.db2.gz OWLWJSMVZUIUNV-SNVBAGLBSA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@H](CNC(=O)CC1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576804441 1164470203 /nfs/dbraw/zinc/47/02/03/1164470203.db2.gz SLGCVZRRDAIYQA-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)CC1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576804441 1164470210 /nfs/dbraw/zinc/47/02/10/1164470210.db2.gz SLGCVZRRDAIYQA-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)CCCF)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576817778 1164479969 /nfs/dbraw/zinc/47/99/69/1164479969.db2.gz UGEDVYURSPGWKK-VIFPVBQESA-N -1 1 322.348 0.713 20 0 DCADMM CC[C@@H](CNC(=O)CCCF)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576817778 1164479971 /nfs/dbraw/zinc/47/99/71/1164479971.db2.gz UGEDVYURSPGWKK-VIFPVBQESA-N -1 1 322.348 0.713 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576925528 1164534068 /nfs/dbraw/zinc/53/40/68/1164534068.db2.gz OBSUSCZQRLJNTM-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576925528 1164534077 /nfs/dbraw/zinc/53/40/77/1164534077.db2.gz OBSUSCZQRLJNTM-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576926612 1164537758 /nfs/dbraw/zinc/53/77/58/1164537758.db2.gz SECIPBNXFRGYKS-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576926612 1164537772 /nfs/dbraw/zinc/53/77/72/1164537772.db2.gz SECIPBNXFRGYKS-RKDXNWHRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576939279 1164545570 /nfs/dbraw/zinc/54/55/70/1164545570.db2.gz FCPHMEMFLIGFER-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576939279 1164545577 /nfs/dbraw/zinc/54/55/77/1164545577.db2.gz FCPHMEMFLIGFER-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576940840 1164547607 /nfs/dbraw/zinc/54/76/07/1164547607.db2.gz LPPDUNJUSCYJKT-DTWKUNHWSA-N -1 1 322.348 0.133 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576955459 1164555606 /nfs/dbraw/zinc/55/56/06/1164555606.db2.gz JQGAGVKJQRALKJ-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576955459 1164555612 /nfs/dbraw/zinc/55/56/12/1164555612.db2.gz JQGAGVKJQRALKJ-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576954899 1164556342 /nfs/dbraw/zinc/55/63/42/1164556342.db2.gz WBVXEOWJGKKWHY-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576954899 1164556355 /nfs/dbraw/zinc/55/63/55/1164556355.db2.gz WBVXEOWJGKKWHY-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576957478 1164558520 /nfs/dbraw/zinc/55/85/20/1164558520.db2.gz TUSFRVOTXVAERN-IUCAKERBSA-N -1 1 322.348 0.569 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576957478 1164558525 /nfs/dbraw/zinc/55/85/25/1164558525.db2.gz TUSFRVOTXVAERN-IUCAKERBSA-N -1 1 322.348 0.569 20 0 DCADMM CCC1(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001577087942 1164600384 /nfs/dbraw/zinc/60/03/84/1164600384.db2.gz VFYMCTVYBSSNJC-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001577087942 1164600389 /nfs/dbraw/zinc/60/03/89/1164600389.db2.gz VFYMCTVYBSSNJC-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC/C=C(\C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001577176420 1164622593 /nfs/dbraw/zinc/62/25/93/1164622593.db2.gz BEAYVFQEFCHROW-BJMVGYQFSA-N -1 1 316.369 0.883 20 0 DCADMM CC/C=C(\C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001577176420 1164622596 /nfs/dbraw/zinc/62/25/96/1164622596.db2.gz BEAYVFQEFCHROW-BJMVGYQFSA-N -1 1 316.369 0.883 20 0 DCADMM CCCC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577190043 1164628836 /nfs/dbraw/zinc/62/88/36/1164628836.db2.gz CAARKGFRLKFYGV-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577190043 1164628844 /nfs/dbraw/zinc/62/88/44/1164628844.db2.gz CAARKGFRLKFYGV-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577216827 1164638562 /nfs/dbraw/zinc/63/85/62/1164638562.db2.gz ZCHQRPQUKCQPLV-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577216827 1164638570 /nfs/dbraw/zinc/63/85/70/1164638570.db2.gz ZCHQRPQUKCQPLV-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001577224900 1164641231 /nfs/dbraw/zinc/64/12/31/1164641231.db2.gz GNXCYUKRFCRIEL-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001577224900 1164641237 /nfs/dbraw/zinc/64/12/37/1164641237.db2.gz GNXCYUKRFCRIEL-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577403199 1164684936 /nfs/dbraw/zinc/68/49/36/1164684936.db2.gz MGMKESYROSGNSV-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577403199 1164684939 /nfs/dbraw/zinc/68/49/39/1164684939.db2.gz MGMKESYROSGNSV-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577425836 1164690240 /nfs/dbraw/zinc/69/02/40/1164690240.db2.gz BMVKUJAOUUKKAI-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCOC(=O)[C@@H](N)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001577921982 1164843535 /nfs/dbraw/zinc/84/35/35/1164843535.db2.gz SWQIXDZMQIURGS-LBPRGKRZSA-N -1 1 304.306 0.407 20 0 DCADMM CCN(CCNC(=O)C(C)(C)F)c1nccnc1-c1nnn[n-]1 ZINC001577923331 1164844550 /nfs/dbraw/zinc/84/45/50/1164844550.db2.gz HNRCPCGNWNLSGL-UHFFFAOYSA-N -1 1 322.348 0.347 20 0 DCADMM CCN(CCNC(=O)C(C)(C)F)c1nccnc1-c1nn[n-]n1 ZINC001577923331 1164844562 /nfs/dbraw/zinc/84/45/62/1164844562.db2.gz HNRCPCGNWNLSGL-UHFFFAOYSA-N -1 1 322.348 0.347 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@@H]1C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577941350 1164853388 /nfs/dbraw/zinc/85/33/88/1164853388.db2.gz KCHGGQREEDLVMR-VHSXEESVSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)C1CCC1)c1nccnc1-c1nnn[n-]1 ZINC001577947280 1164856476 /nfs/dbraw/zinc/85/64/76/1164856476.db2.gz YIJWBRLSQMYTKK-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)C1CCC1)c1nccnc1-c1nn[n-]n1 ZINC001577947280 1164856479 /nfs/dbraw/zinc/85/64/79/1164856479.db2.gz YIJWBRLSQMYTKK-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCNC(=O)C(C)(C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001578227726 1164957571 /nfs/dbraw/zinc/95/75/71/1164957571.db2.gz SSBLWDLLAKBILQ-UHFFFAOYSA-N -1 1 318.341 0.298 20 0 DCADMM CCNC(=O)C(C)(C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001578227726 1164957576 /nfs/dbraw/zinc/95/75/76/1164957576.db2.gz SSBLWDLLAKBILQ-UHFFFAOYSA-N -1 1 318.341 0.298 20 0 DCADMM CCn1cc(CNc2cccc(-c3nnn[n-]3)n2)c(=O)[nH]c1=O ZINC001578758268 1165097335 /nfs/dbraw/zinc/09/73/35/1165097335.db2.gz RGHBYSVALUEXHL-UHFFFAOYSA-N -1 1 314.309 0.156 20 0 DCADMM CCn1cc(CNc2cccc(-c3nn[n-]n3)n2)c(=O)[nH]c1=O ZINC001578758268 1165097340 /nfs/dbraw/zinc/09/73/40/1165097340.db2.gz RGHBYSVALUEXHL-UHFFFAOYSA-N -1 1 314.309 0.156 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)[C@@H]1CC1(F)F ZINC001579210701 1165238103 /nfs/dbraw/zinc/23/81/03/1165238103.db2.gz GFZWJVYTYMBMKM-ZETCQYMHSA-N -1 1 324.295 0.182 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)[C@@H]1CC1(F)F ZINC001579210701 1165238109 /nfs/dbraw/zinc/23/81/09/1165238109.db2.gz GFZWJVYTYMBMKM-ZETCQYMHSA-N -1 1 324.295 0.182 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)[C@H]1CC1(C)C ZINC001579216739 1165241431 /nfs/dbraw/zinc/24/14/31/1165241431.db2.gz ITENZKJKNCKGDJ-SECBINFHSA-N -1 1 316.369 0.573 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)[C@H]1CC1(C)C ZINC001579216739 1165241439 /nfs/dbraw/zinc/24/14/39/1165241439.db2.gz ITENZKJKNCKGDJ-SECBINFHSA-N -1 1 316.369 0.573 20 0 DCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001579284377 1165260536 /nfs/dbraw/zinc/26/05/36/1165260536.db2.gz UXOTYGCCYQUJBF-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001579284377 1165260541 /nfs/dbraw/zinc/26/05/41/1165260541.db2.gz UXOTYGCCYQUJBF-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM COc1cccc(NCC(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC001579283004 1165260686 /nfs/dbraw/zinc/26/06/86/1165260686.db2.gz QPPPSFWPVWKPTH-JTQLQIEISA-N -1 1 304.354 0.882 20 0 DCADMM CN1c2ccccc2CN(c2ccnc(-c3nn[n-]n3)n2)CC1=O ZINC001579308154 1165267726 /nfs/dbraw/zinc/26/77/26/1165267726.db2.gz DMTCRKFRKGOTJR-UHFFFAOYSA-N -1 1 322.332 0.640 20 0 DCADMM CN1CC[C@@H](Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)C1=O ZINC001579347735 1165282122 /nfs/dbraw/zinc/28/21/22/1165282122.db2.gz LXFKMCRHJDDKKU-NSHDSACASA-N -1 1 324.348 0.604 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001579475207 1165324389 /nfs/dbraw/zinc/32/43/89/1165324389.db2.gz XQQHCIPECZABSG-OTYXRUKQSA-N -1 1 315.337 0.579 20 0 DCADMM COC(=O)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001579483733 1165327621 /nfs/dbraw/zinc/32/76/21/1165327621.db2.gz MMMPPJVIGXQWGK-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001579483733 1165327628 /nfs/dbraw/zinc/32/76/28/1165327628.db2.gz MMMPPJVIGXQWGK-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)on1 ZINC001579485375 1165329592 /nfs/dbraw/zinc/32/95/92/1165329592.db2.gz XMUNQKVCESUTCG-UHFFFAOYSA-N -1 1 320.290 0.955 20 0 DCADMM COC(=O)c1nc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cs1 ZINC001579491829 1165330238 /nfs/dbraw/zinc/33/02/38/1165330238.db2.gz OHVRJXHYETWMQW-UHFFFAOYSA-N -1 1 320.294 0.085 20 0 DCADMM CO[C@H](Cc1ccccc1)C(=O)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001579596771 1165354534 /nfs/dbraw/zinc/35/45/34/1165354534.db2.gz XDXNKKRUFGCQPQ-LLVKDONJSA-N -1 1 313.321 0.786 20 0 DCADMM CO[C@H](Cc1ccccc1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001579596771 1165354541 /nfs/dbraw/zinc/35/45/41/1165354541.db2.gz XDXNKKRUFGCQPQ-LLVKDONJSA-N -1 1 313.321 0.786 20 0 DCADMM COC1CCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CC1 ZINC001579618674 1165360710 /nfs/dbraw/zinc/36/07/10/1165360710.db2.gz MFVLFOOCEGGMTI-UHFFFAOYSA-N -1 1 318.337 0.527 20 0 DCADMM COCC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001579628835 1165363870 /nfs/dbraw/zinc/36/38/70/1165363870.db2.gz MRCBYWLQYQWBCK-QMMMGPOBSA-N -1 1 323.382 0.291 20 0 DCADMM COC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001579746628 1165385752 /nfs/dbraw/zinc/38/57/52/1165385752.db2.gz CTXWAXCNMCKYFY-UONOGXRCSA-N -1 1 319.365 0.247 20 0 DCADMM COCCc1nsc(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001579817752 1165401997 /nfs/dbraw/zinc/40/19/97/1165401997.db2.gz OVYFIDLXRVUZAH-UHFFFAOYSA-N -1 1 318.366 0.914 20 0 DCADMM COCCc1nsc(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001579817752 1165401998 /nfs/dbraw/zinc/40/19/98/1165401998.db2.gz OVYFIDLXRVUZAH-UHFFFAOYSA-N -1 1 318.366 0.914 20 0 DCADMM COc1c(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)c(C)nn1C ZINC001579874927 1165419460 /nfs/dbraw/zinc/41/94/60/1165419460.db2.gz NPWOUFJEIOZNBJ-UHFFFAOYSA-N -1 1 317.313 0.201 20 0 DCADMM CS[C@@H](C)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001580188882 1165531095 /nfs/dbraw/zinc/53/10/95/1165531095.db2.gz FCVPBJHRWRHWHR-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001580188882 1165531100 /nfs/dbraw/zinc/53/11/00/1165531100.db2.gz FCVPBJHRWRHWHR-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001580189789 1165531518 /nfs/dbraw/zinc/53/15/18/1165531518.db2.gz MHXBZAAZHUDCRM-QMMMGPOBSA-N -1 1 322.398 0.326 20 0 DCADMM CS[C@@H](C)C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001580189789 1165531521 /nfs/dbraw/zinc/53/15/21/1165531521.db2.gz MHXBZAAZHUDCRM-QMMMGPOBSA-N -1 1 322.398 0.326 20 0 DCADMM CSc1cncc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001580236434 1165543904 /nfs/dbraw/zinc/54/39/04/1165543904.db2.gz IDMBQYDLYUXBAQ-UHFFFAOYSA-N -1 1 317.338 0.214 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1=CCCC1 ZINC001580286069 1165557848 /nfs/dbraw/zinc/55/78/48/1165557848.db2.gz VTPGOQATBUCHRO-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1=CCCC1 ZINC001580286069 1165557854 /nfs/dbraw/zinc/55/78/54/1165557854.db2.gz VTPGOQATBUCHRO-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccccc1 ZINC001580294106 1165562024 /nfs/dbraw/zinc/56/20/24/1165562024.db2.gz UUAMXKZVTLLJCR-JTQLQIEISA-N -1 1 324.348 0.887 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccccc1 ZINC001580294106 1165562031 /nfs/dbraw/zinc/56/20/31/1165562031.db2.gz UUAMXKZVTLLJCR-JTQLQIEISA-N -1 1 324.348 0.887 20 0 DCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC1(C)C ZINC001580413902 1165597427 /nfs/dbraw/zinc/59/74/27/1165597427.db2.gz DCYXMRZEPQUFOI-BDAKNGLRSA-N -1 1 316.369 0.041 20 0 DCADMM Cc1c[nH]c(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c(C)c1=O ZINC001580575860 1165643774 /nfs/dbraw/zinc/64/37/74/1165643774.db2.gz WQRRWVDMGKAMSV-UHFFFAOYSA-N -1 1 314.305 0.695 20 0 DCADMM Cc1c[nH]c(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c(C)c1=O ZINC001580575860 1165643776 /nfs/dbraw/zinc/64/37/76/1165643776.db2.gz WQRRWVDMGKAMSV-UHFFFAOYSA-N -1 1 314.305 0.695 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@H](C)[C@H]1C ZINC001580600101 1165651683 /nfs/dbraw/zinc/65/16/83/1165651683.db2.gz LWHSDTIQLJQBQL-RKDXNWHRSA-N -1 1 318.337 0.525 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H](C)NC(=O)C2CC2)n1 ZINC001580630816 1165667259 /nfs/dbraw/zinc/66/72/59/1165667259.db2.gz CGWQDWXVBKNNCO-VIFPVBQESA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H](C)NC(=O)C2CC2)n1 ZINC001580630816 1165667262 /nfs/dbraw/zinc/66/72/62/1165667262.db2.gz CGWQDWXVBKNNCO-VIFPVBQESA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H](C)NC(=O)C(C)C)n1 ZINC001580632040 1165667864 /nfs/dbraw/zinc/66/78/64/1165667864.db2.gz JZCAGQDTHPPSKI-JTQLQIEISA-N -1 1 318.385 0.562 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H](C)NC(=O)C(C)C)n1 ZINC001580632040 1165667867 /nfs/dbraw/zinc/66/78/67/1165667867.db2.gz JZCAGQDTHPPSKI-JTQLQIEISA-N -1 1 318.385 0.562 20 0 DCADMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc(=O)[nH]1 ZINC001580870738 1165745433 /nfs/dbraw/zinc/74/54/33/1165745433.db2.gz NBRAYVFUSVKISG-UHFFFAOYSA-N -1 1 311.305 0.601 20 0 DCADMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc(=O)[nH]1 ZINC001580870738 1165745440 /nfs/dbraw/zinc/74/54/40/1165745440.db2.gz NBRAYVFUSVKISG-UHFFFAOYSA-N -1 1 311.305 0.601 20 0 DCADMM Cc1cc(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC001581041139 1165779339 /nfs/dbraw/zinc/77/93/39/1165779339.db2.gz KPDDRGCLYXOCSX-UHFFFAOYSA-N -1 1 315.293 0.600 20 0 DCADMM Cc1cc(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC001581041139 1165779341 /nfs/dbraw/zinc/77/93/41/1165779341.db2.gz KPDDRGCLYXOCSX-UHFFFAOYSA-N -1 1 315.293 0.600 20 0 DCADMM Cc1ccccc1CNC(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001581260045 1165807141 /nfs/dbraw/zinc/80/71/41/1165807141.db2.gz XIZNFQRIFHADQD-UHFFFAOYSA-N -1 1 324.344 0.653 20 0 DCADMM Cc1onc(CC(=O)NCc2nccc(C)n2)c1-c1nnn[n-]1 ZINC001581279663 1165809466 /nfs/dbraw/zinc/80/94/66/1165809466.db2.gz YUHASIVLWGBQTL-UHFFFAOYSA-N -1 1 314.309 0.120 20 0 DCADMM Cc1onc(CC(=O)NCc2nccc(C)n2)c1-c1nn[n-]n1 ZINC001581279663 1165809477 /nfs/dbraw/zinc/80/94/77/1165809477.db2.gz YUHASIVLWGBQTL-UHFFFAOYSA-N -1 1 314.309 0.120 20 0 DCADMM Cc1cnc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001581319817 1165813014 /nfs/dbraw/zinc/81/30/14/1165813014.db2.gz VMLMKYNXNFRSJH-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1cnc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001581319817 1165813017 /nfs/dbraw/zinc/81/30/17/1165813017.db2.gz VMLMKYNXNFRSJH-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1cnc(F)cc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001581320020 1165813435 /nfs/dbraw/zinc/81/34/35/1165813435.db2.gz BEHSQPNGSLISEE-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1cnc(F)cc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001581320020 1165813441 /nfs/dbraw/zinc/81/34/41/1165813441.db2.gz BEHSQPNGSLISEE-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1csc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001581385684 1165819991 /nfs/dbraw/zinc/81/99/91/1165819991.db2.gz DWAUUDDBVZDSJA-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1csc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001581385684 1165819995 /nfs/dbraw/zinc/81/99/95/1165819995.db2.gz DWAUUDDBVZDSJA-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1nc(N[C@H](CO)C[C@H](O)C(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001581494876 1165835066 /nfs/dbraw/zinc/83/50/66/1165835066.db2.gz CWPHOHKCAYRMIY-ONGXEEELSA-N -1 1 321.385 0.535 20 0 DCADMM Cc1nc(N[C@H](CO)C[C@H](O)C(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001581494876 1165835070 /nfs/dbraw/zinc/83/50/70/1165835070.db2.gz CWPHOHKCAYRMIY-ONGXEEELSA-N -1 1 321.385 0.535 20 0 DCADMM Cc1ncc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001581549850 1165841790 /nfs/dbraw/zinc/84/17/90/1165841790.db2.gz QNWIDBQDXPORAQ-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1ncc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001581549850 1165841797 /nfs/dbraw/zinc/84/17/97/1165841797.db2.gz QNWIDBQDXPORAQ-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nn(C)cc1CCC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001581601779 1165849221 /nfs/dbraw/zinc/84/92/21/1165849221.db2.gz KNNNSNFLTCEKGS-UHFFFAOYSA-N -1 1 315.341 0.213 20 0 DCADMM Cc1nn(C)cc1CCC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001581601779 1165849228 /nfs/dbraw/zinc/84/92/28/1165849228.db2.gz KNNNSNFLTCEKGS-UHFFFAOYSA-N -1 1 315.341 0.213 20 0 DCADMM Cc1nn(Cc2c(F)cncc2F)c(=O)c(-c2nn[n-]n2)c1C ZINC001581604189 1165849932 /nfs/dbraw/zinc/84/99/32/1165849932.db2.gz XISQPDZEZYIXER-UHFFFAOYSA-N -1 1 319.275 0.762 20 0 DCADMM Cc1nonc1CC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581655202 1165856079 /nfs/dbraw/zinc/85/60/79/1165856079.db2.gz NDJZJKSSDJXCFX-UHFFFAOYSA-N -1 1 305.323 0.479 20 0 DCADMM Cc1nsc(N2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1-c1nn[n-]n1 ZINC001581684531 1165858506 /nfs/dbraw/zinc/85/85/06/1165858506.db2.gz XTOWUOJIJJJBGQ-SDBXPKJASA-N -1 1 319.394 0.723 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](CO)[C@H]1CCCOC1 ZINC001581727156 1165861643 /nfs/dbraw/zinc/86/16/43/1165861643.db2.gz LAEPFRRTGCDEIQ-GXSJLCMTSA-N -1 1 321.337 0.285 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](CO)[C@H]1CCCOC1 ZINC001581727156 1165861645 /nfs/dbraw/zinc/86/16/45/1165861645.db2.gz LAEPFRRTGCDEIQ-GXSJLCMTSA-N -1 1 321.337 0.285 20 0 DCADMM Cc1oc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1CO ZINC001581729422 1165861958 /nfs/dbraw/zinc/86/19/58/1165861958.db2.gz ZEKHFZFAHIMDCR-UHFFFAOYSA-N -1 1 314.305 0.585 20 0 DCADMM Cc1oc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1CO ZINC001581729422 1165861962 /nfs/dbraw/zinc/86/19/62/1165861962.db2.gz ZEKHFZFAHIMDCR-UHFFFAOYSA-N -1 1 314.305 0.585 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001581727422 1165862635 /nfs/dbraw/zinc/86/26/35/1165862635.db2.gz WXAOBFHRHSQTKY-SECBINFHSA-N -1 1 319.321 0.794 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001581727422 1165862641 /nfs/dbraw/zinc/86/26/41/1165862641.db2.gz WXAOBFHRHSQTKY-SECBINFHSA-N -1 1 319.321 0.794 20 0 DCADMM Cn1c(=O)[nH]c(Oc2cccc(Cl)c2)c(-c2nn[n-]n2)c1=O ZINC001581748744 1165864635 /nfs/dbraw/zinc/86/46/35/1165864635.db2.gz SBQRETAZLVNSRV-UHFFFAOYSA-N -1 1 320.696 0.699 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccccc2F)n1 ZINC001581754422 1165867642 /nfs/dbraw/zinc/86/76/42/1165867642.db2.gz SRUBEATXURVSGW-UHFFFAOYSA-N -1 1 301.285 0.921 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccccc2F)n1 ZINC001581754422 1165867646 /nfs/dbraw/zinc/86/76/46/1165867646.db2.gz SRUBEATXURVSGW-UHFFFAOYSA-N -1 1 301.285 0.921 20 0 DCADMM Cn1cc(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC001581755117 1165871159 /nfs/dbraw/zinc/87/11/59/1165871159.db2.gz ZNBLNJRHHHJLEZ-UHFFFAOYSA-N -1 1 317.334 0.274 20 0 DCADMM Cn1cc(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC001581755117 1165871161 /nfs/dbraw/zinc/87/11/61/1165871161.db2.gz ZNBLNJRHHHJLEZ-UHFFFAOYSA-N -1 1 317.334 0.274 20 0 DCADMM F[C@H]1COc2ccccc2[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001581851150 1165887460 /nfs/dbraw/zinc/88/74/60/1165887460.db2.gz LRHZXLHWGSLLFW-CABZTGNLSA-N -1 1 313.296 0.962 20 0 DCADMM FC(F)CN1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001581851369 1165887854 /nfs/dbraw/zinc/88/78/54/1165887854.db2.gz TXMCZFJPIOOOCJ-MRVPVSSYSA-N -1 1 310.312 0.656 20 0 DCADMM FC(F)CN1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001581851369 1165887861 /nfs/dbraw/zinc/88/78/61/1165887861.db2.gz TXMCZFJPIOOOCJ-MRVPVSSYSA-N -1 1 310.312 0.656 20 0 DCADMM NC(=O)Nc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001581898250 1165905825 /nfs/dbraw/zinc/90/58/25/1165905825.db2.gz DNGWJHPQIWCQKG-UHFFFAOYSA-N -1 1 313.281 0.333 20 0 DCADMM NC(=O)Nc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001581898250 1165905832 /nfs/dbraw/zinc/90/58/32/1165905832.db2.gz DNGWJHPQIWCQKG-UHFFFAOYSA-N -1 1 313.281 0.333 20 0 DCADMM NC(=O)c1ncc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC001581905861 1165910101 /nfs/dbraw/zinc/91/01/01/1165910101.db2.gz DMCTZGFFDVCEHY-UHFFFAOYSA-N -1 1 316.306 0.069 20 0 DCADMM NC(=O)c1ncc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC001581905861 1165910109 /nfs/dbraw/zinc/91/01/09/1165910109.db2.gz DMCTZGFFDVCEHY-UHFFFAOYSA-N -1 1 316.306 0.069 20 0 DCADMM Nc1nc(Cl)c(N)c(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001581910644 1165912355 /nfs/dbraw/zinc/91/23/55/1165912355.db2.gz WIUNEUDACUUTHH-UHFFFAOYSA-N -1 1 318.732 0.482 20 0 DCADMM Nc1nc(Cl)c(N)c(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001581910644 1165912360 /nfs/dbraw/zinc/91/23/60/1165912360.db2.gz WIUNEUDACUUTHH-UHFFFAOYSA-N -1 1 318.732 0.482 20 0 DCADMM O=C(COc1ccccc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582129998 1165964241 /nfs/dbraw/zinc/96/42/41/1165964241.db2.gz HARBQDGPFGOQOR-UHFFFAOYSA-N -1 1 310.317 0.957 20 0 DCADMM O=C(COc1ccccc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582129998 1165964244 /nfs/dbraw/zinc/96/42/44/1165964244.db2.gz HARBQDGPFGOQOR-UHFFFAOYSA-N -1 1 310.317 0.957 20 0 DCADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccncc1Cl ZINC001582192362 1165980410 /nfs/dbraw/zinc/98/04/10/1165980410.db2.gz WBGQSGCHVASZQA-UHFFFAOYSA-N -1 1 316.708 0.960 20 0 DCADMM O=C(N[C@H]1Cc2ccccc2NC1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001582337475 1166004409 /nfs/dbraw/zinc/00/44/09/1166004409.db2.gz KVFCLKKGAPDPLE-JTQLQIEISA-N -1 1 324.300 0.753 20 0 DCADMM O=C(N[C@H]1Cc2ccccc2NC1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001582337475 1166004412 /nfs/dbraw/zinc/00/44/12/1166004412.db2.gz KVFCLKKGAPDPLE-JTQLQIEISA-N -1 1 324.300 0.753 20 0 DCADMM O=C(NC[C@@H](O)c1cncs1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582381094 1166008257 /nfs/dbraw/zinc/00/82/57/1166008257.db2.gz HEVHOTXLEMNAAM-SECBINFHSA-N -1 1 317.334 0.182 20 0 DCADMM O=C(NC[C@@H](O)c1cncs1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582381094 1166008263 /nfs/dbraw/zinc/00/82/63/1166008263.db2.gz HEVHOTXLEMNAAM-SECBINFHSA-N -1 1 317.334 0.182 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NCC(F)(F)CO ZINC001582549941 1166039313 /nfs/dbraw/zinc/03/93/13/1166039313.db2.gz MMAKIMWMXKFVGB-UHFFFAOYSA-N -1 1 318.309 0.355 20 0 DCADMM O=C(NCc1ccc(CCO)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001582551531 1166039573 /nfs/dbraw/zinc/03/95/73/1166039573.db2.gz OIGRAQTWKHALRB-UHFFFAOYSA-N -1 1 313.317 0.925 20 0 DCADMM O=C(NCc1ccc(CCO)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001582551531 1166039580 /nfs/dbraw/zinc/03/95/80/1166039580.db2.gz OIGRAQTWKHALRB-UHFFFAOYSA-N -1 1 313.317 0.925 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H](O)C1CCCCC1 ZINC001582555320 1166041970 /nfs/dbraw/zinc/04/19/70/1166041970.db2.gz YCGVVEVKOCJNHF-ZDUSSCGKSA-N -1 1 316.365 0.819 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H](O)C1CCCCC1 ZINC001582555320 1166041974 /nfs/dbraw/zinc/04/19/74/1166041974.db2.gz YCGVVEVKOCJNHF-ZDUSSCGKSA-N -1 1 316.365 0.819 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H]1CCCC[C@H]1O ZINC001582559633 1166044121 /nfs/dbraw/zinc/04/41/21/1166044121.db2.gz XFKCGPKUCKIRRZ-VXNVDRBHSA-N -1 1 323.382 0.426 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H]1CCCC[C@H]1O ZINC001582559633 1166044127 /nfs/dbraw/zinc/04/41/27/1166044127.db2.gz XFKCGPKUCKIRRZ-VXNVDRBHSA-N -1 1 323.382 0.426 20 0 DCADMM O=C(NCc1ncccn1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001582560218 1166046016 /nfs/dbraw/zinc/04/60/16/1166046016.db2.gz UQOAAWLWCVWXEA-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001582607685 1166051882 /nfs/dbraw/zinc/05/18/82/1166051882.db2.gz JWKYYRBMISIFHG-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001582607685 1166051889 /nfs/dbraw/zinc/05/18/89/1166051889.db2.gz JWKYYRBMISIFHG-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ncoc1[C@@H]1CCCO1 ZINC001582631220 1166055321 /nfs/dbraw/zinc/05/53/21/1166055321.db2.gz BWUXKWHSTCOAQM-ZETCQYMHSA-N -1 1 316.281 0.682 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnn2cccnc12 ZINC001582645162 1166058272 /nfs/dbraw/zinc/05/82/72/1166058272.db2.gz YHTIKKXMXFKTJT-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnn2cccnc12 ZINC001582645162 1166058283 /nfs/dbraw/zinc/05/82/83/1166058283.db2.gz YHTIKKXMXFKTJT-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H](c2ncon2)C1 ZINC001582742413 1166072232 /nfs/dbraw/zinc/07/22/32/1166072232.db2.gz XKKQIMVTBJZXFV-MRVPVSSYSA-N -1 1 315.293 0.863 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H](c2ncon2)C1 ZINC001582742413 1166072238 /nfs/dbraw/zinc/07/22/38/1166072238.db2.gz XKKQIMVTBJZXFV-MRVPVSSYSA-N -1 1 315.293 0.863 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCN2C(=O)OC[C@@H]2C1 ZINC001582745100 1166073973 /nfs/dbraw/zinc/07/39/73/1166073973.db2.gz RRXIRYYHXVUPNH-QMMMGPOBSA-N -1 1 320.334 0.205 20 0 DCADMM O=S(=O)(Cc1csc(-c2nn[n-]n2)c1)N[C@H]1CCOC1 ZINC001582793105 1166081234 /nfs/dbraw/zinc/08/12/34/1166081234.db2.gz QKBYLWVXTPFRKG-QMMMGPOBSA-N -1 1 315.380 0.137 20 0 DCADMM O=c1cc(C[N@H+]2CC[C@H](CF)C2)nc2c(-c3nn[n-]n3)c[n-]n21 ZINC001582814311 1166093817 /nfs/dbraw/zinc/09/38/17/1166093817.db2.gz DUSYCJNGHFILJI-MRVPVSSYSA-N -1 1 318.316 0.406 20 0 DCADMM O=c1cc(C[N@@H+]2CC[C@H](CF)C2)nc2c(-c3nn[n-]n3)c[n-]n21 ZINC001582814311 1166093824 /nfs/dbraw/zinc/09/38/24/1166093824.db2.gz DUSYCJNGHFILJI-MRVPVSSYSA-N -1 1 318.316 0.406 20 0 DCADMM OCc1cc(CCNc2cncc(-c3nnn[n-]3)n2)ccc1O ZINC001582813846 1166094318 /nfs/dbraw/zinc/09/43/18/1166094318.db2.gz GFWIPDVKMIYKDF-UHFFFAOYSA-N -1 1 313.321 0.509 20 0 DCADMM OCc1cc(CCNc2cncc(-c3nn[n-]n3)n2)ccc1O ZINC001582813846 1166094323 /nfs/dbraw/zinc/09/43/23/1166094323.db2.gz GFWIPDVKMIYKDF-UHFFFAOYSA-N -1 1 313.321 0.509 20 0 DCADMM COCc1nnc2n1CCN(C(=O)C(=O)c1ccc([O-])cc1)C2 ZINC001583786416 1166285666 /nfs/dbraw/zinc/28/56/66/1166285666.db2.gz VDFJCTHYKPVBNA-UHFFFAOYSA-N -1 1 316.317 0.355 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C=Cc2cn(C)cn2)n1 ZINC001584180913 1166313149 /nfs/dbraw/zinc/31/31/49/1166313149.db2.gz WRTGDSLJDAOQQL-UDIARPCQSA-N -1 1 318.337 0.606 20 0 DCADMM C=CC(=O)N(CC)CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001586106327 1166479050 /nfs/dbraw/zinc/47/90/50/1166479050.db2.gz XPVFYJKUVRXXLS-AWEZNQCLSA-N -1 1 314.349 0.440 20 0 DCADMM C[C@@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)c1cnccn1 ZINC001586106284 1166480061 /nfs/dbraw/zinc/48/00/61/1166480061.db2.gz XIRPNLDITZLWOZ-ZWNOBZJWSA-N -1 1 309.333 0.999 20 0 DCADMM COC(=O)c1nc[nH]c1NC(=O)c1nc2ncc(C)cn2n1 ZINC001587268700 1166505555 /nfs/dbraw/zinc/50/55/55/1166505555.db2.gz LHIOFZIVWDXMGC-UHFFFAOYSA-N -1 1 301.266 0.195 20 0 DCADMM COC(=O)c1[n-]cnc1NC(=O)c1nc2ncc(C)cn2n1 ZINC001587268700 1166505559 /nfs/dbraw/zinc/50/55/59/1166505559.db2.gz LHIOFZIVWDXMGC-UHFFFAOYSA-N -1 1 301.266 0.195 20 0 DCADMM CC(=CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1cnccn1 ZINC001588766822 1166587772 /nfs/dbraw/zinc/58/77/72/1166587772.db2.gz WHFGIDATUPBNLC-UXBLZVDNSA-N -1 1 322.332 0.771 20 0 DCADMM CC(=CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1cnccn1 ZINC001588766822 1166587776 /nfs/dbraw/zinc/58/77/76/1166587776.db2.gz WHFGIDATUPBNLC-UXBLZVDNSA-N -1 1 322.332 0.771 20 0 DCADMM CC(=O)C[C@@H]1COCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588785689 1166590910 /nfs/dbraw/zinc/59/09/10/1166590910.db2.gz HRICQQNXSRFELV-SNVBAGLBSA-N -1 1 316.321 0.082 20 0 DCADMM CC(=O)C[C@@H]1COCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588785689 1166590914 /nfs/dbraw/zinc/59/09/14/1166590914.db2.gz HRICQQNXSRFELV-SNVBAGLBSA-N -1 1 316.321 0.082 20 0 DCADMM CC(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588800121 1166592722 /nfs/dbraw/zinc/59/27/22/1166592722.db2.gz CDWOSNNWGFITSB-UHFFFAOYSA-N -1 1 304.358 0.573 20 0 DCADMM CC(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588800121 1166592728 /nfs/dbraw/zinc/59/27/28/1166592728.db2.gz CDWOSNNWGFITSB-UHFFFAOYSA-N -1 1 304.358 0.573 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001588812021 1166594964 /nfs/dbraw/zinc/59/49/64/1166594964.db2.gz GPUUOBISHUAQBI-WCBMZHEXSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001588812021 1166594972 /nfs/dbraw/zinc/59/49/72/1166594972.db2.gz GPUUOBISHUAQBI-WCBMZHEXSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588818793 1166597771 /nfs/dbraw/zinc/59/77/71/1166597771.db2.gz OVDNVWZSJWKQTP-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588818793 1166597776 /nfs/dbraw/zinc/59/77/76/1166597776.db2.gz OVDNVWZSJWKQTP-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588840030 1166603028 /nfs/dbraw/zinc/60/30/28/1166603028.db2.gz KPGRJTVVAAPYJU-MNOVXSKESA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588840030 1166603034 /nfs/dbraw/zinc/60/30/34/1166603034.db2.gz KPGRJTVVAAPYJU-MNOVXSKESA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)N[C@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588840032 1166605000 /nfs/dbraw/zinc/60/50/00/1166605000.db2.gz KPGRJTVVAAPYJU-QWRGUYRKSA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)N[C@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588840032 1166605006 /nfs/dbraw/zinc/60/50/06/1166605006.db2.gz KPGRJTVVAAPYJU-QWRGUYRKSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](C(=O)N(C)c1ccsc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943431 1166620629 /nfs/dbraw/zinc/62/06/29/1166620629.db2.gz OCBXMZSHJLEENL-ZETCQYMHSA-N -1 1 304.339 0.744 20 0 DCADMM C[C@@H](C(=O)N[C@H]1CCCC2(CC2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588973967 1166625090 /nfs/dbraw/zinc/62/50/90/1166625090.db2.gz VXCHIARRLNQZTI-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001588998885 1166626601 /nfs/dbraw/zinc/62/66/01/1166626601.db2.gz GPVYZBNKFCNCOX-SECBINFHSA-N -1 1 312.337 0.415 20 0 DCADMM C[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001588998885 1166626604 /nfs/dbraw/zinc/62/66/04/1166626604.db2.gz GPVYZBNKFCNCOX-SECBINFHSA-N -1 1 312.337 0.415 20 0 DCADMM C[C@@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)n1cccn1 ZINC001589000297 1166626774 /nfs/dbraw/zinc/62/67/74/1166626774.db2.gz XJVPXFPEOWLDGO-ZETCQYMHSA-N -1 1 304.339 0.397 20 0 DCADMM C[C@@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)n1cccn1 ZINC001589000297 1166626778 /nfs/dbraw/zinc/62/67/78/1166626778.db2.gz XJVPXFPEOWLDGO-ZETCQYMHSA-N -1 1 304.339 0.397 20 0 DCADMM C[C@H](C(=O)N[C@H](C)C(F)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001589006626 1166626876 /nfs/dbraw/zinc/62/68/76/1166626876.db2.gz JOXJEIMMLHMTAW-RFZPGFLSSA-N -1 1 304.236 0.086 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001589007188 1166627594 /nfs/dbraw/zinc/62/75/94/1166627594.db2.gz SKKJINVTXMTSMI-MQIGXGKASA-N -1 1 302.342 0.180 20 0 DCADMM C[C@@H](C(=O)Nc1cc(F)ccn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589011989 1166629124 /nfs/dbraw/zinc/62/91/24/1166629124.db2.gz SFXSKGSYCWEAOQ-LURJTMIESA-N -1 1 303.261 0.192 20 0 DCADMM C[C@H](C(=O)OCc1nccs1)n1cnc(-c2nn[n-]n2)n1 ZINC001589032912 1166631627 /nfs/dbraw/zinc/63/16/27/1166631627.db2.gz RYTFLAVJVDWGMC-ZCFIWIBFSA-N -1 1 306.311 0.219 20 0 DCADMM CC(C)(C)C(=O)NCCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001589084351 1166633037 /nfs/dbraw/zinc/63/30/37/1166633037.db2.gz DFBOJEDCZIUERZ-UHFFFAOYSA-N -1 1 306.330 0.081 20 0 DCADMM CC(C)(C)C(=O)NCCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589084507 1166633792 /nfs/dbraw/zinc/63/37/92/1166633792.db2.gz HUECSIOWGFXZLZ-UHFFFAOYSA-N -1 1 307.310 0.779 20 0 DCADMM CC(C)(C)C(=O)NCCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589084507 1166633798 /nfs/dbraw/zinc/63/37/98/1166633798.db2.gz HUECSIOWGFXZLZ-UHFFFAOYSA-N -1 1 307.310 0.779 20 0 DCADMM CC(C)(C)N1C[C@@H](Nc2ncncc2-c2nn[n-]n2)CC1=O ZINC001589135014 1166638752 /nfs/dbraw/zinc/63/87/52/1166638752.db2.gz RDUWZQLUYBMNLC-QMMMGPOBSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(NC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)N1CCCC1 ZINC001589322214 1166646407 /nfs/dbraw/zinc/64/64/07/1166646407.db2.gz WKBVIWRQINXBOM-UHFFFAOYSA-N -1 1 318.337 0.591 20 0 DCADMM CC(C)(NC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)N1CCCC1 ZINC001589322214 1166646411 /nfs/dbraw/zinc/64/64/11/1166646411.db2.gz WKBVIWRQINXBOM-UHFFFAOYSA-N -1 1 318.337 0.591 20 0 DCADMM CC(C)(O)Cc1cn(Cc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001589339262 1166650451 /nfs/dbraw/zinc/65/04/51/1166650451.db2.gz YHGLCERZMCRNQF-UHFFFAOYSA-N -1 1 306.355 0.276 20 0 DCADMM CC(C)(O)Cc1cn(Cc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001589339262 1166650456 /nfs/dbraw/zinc/65/04/56/1166650456.db2.gz YHGLCERZMCRNQF-UHFFFAOYSA-N -1 1 306.355 0.276 20 0 DCADMM CC(C)=CC(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001589361571 1166652161 /nfs/dbraw/zinc/65/21/61/1166652161.db2.gz NVZFYWWMFVEFAY-JTQLQIEISA-N -1 1 316.369 0.209 20 0 DCADMM CC(C)=CC(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001589370292 1166652559 /nfs/dbraw/zinc/65/25/59/1166652559.db2.gz WFTTYTGXJRADQZ-SECBINFHSA-N -1 1 302.342 0.540 20 0 DCADMM CC(C)=CC(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001589370292 1166652563 /nfs/dbraw/zinc/65/25/63/1166652563.db2.gz WFTTYTGXJRADQZ-SECBINFHSA-N -1 1 302.342 0.540 20 0 DCADMM CC(C)C(=O)N1CCCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001589401634 1166653925 /nfs/dbraw/zinc/65/39/25/1166653925.db2.gz SGBMXHPCOFCDJB-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CC(C)C(=O)N1CCCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001589401634 1166653931 /nfs/dbraw/zinc/65/39/31/1166653931.db2.gz SGBMXHPCOFCDJB-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CC(C)C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589394009 1166655130 /nfs/dbraw/zinc/65/51/30/1166655130.db2.gz HFCKKAAHTTXKIE-UHFFFAOYSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589394009 1166655134 /nfs/dbraw/zinc/65/51/34/1166655134.db2.gz HFCKKAAHTTXKIE-UHFFFAOYSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)[C@H](OC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC001589483941 1166661153 /nfs/dbraw/zinc/66/11/53/1166661153.db2.gz GCEAYQLYQQIWNE-JTQLQIEISA-N -1 1 307.310 0.729 20 0 DCADMM CC(C)[C@H](OC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC001589483941 1166661157 /nfs/dbraw/zinc/66/11/57/1166661157.db2.gz GCEAYQLYQQIWNE-JTQLQIEISA-N -1 1 307.310 0.729 20 0 DCADMM CC(C)CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1=O ZINC001589629790 1166669292 /nfs/dbraw/zinc/66/92/92/1166669292.db2.gz HQLLRHIZTKGFIH-UHFFFAOYSA-N -1 1 304.354 0.760 20 0 DCADMM CC(C)CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1=O ZINC001589629790 1166669295 /nfs/dbraw/zinc/66/92/95/1166669295.db2.gz HQLLRHIZTKGFIH-UHFFFAOYSA-N -1 1 304.354 0.760 20 0 DCADMM CC(C)COCCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001589645519 1166672274 /nfs/dbraw/zinc/67/22/74/1166672274.db2.gz LKJXUAAQGNJCSC-UHFFFAOYSA-N -1 1 304.354 0.941 20 0 DCADMM CC(C)COCCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001589645519 1166672280 /nfs/dbraw/zinc/67/22/80/1166672280.db2.gz LKJXUAAQGNJCSC-UHFFFAOYSA-N -1 1 304.354 0.941 20 0 DCADMM CC(C)OC[C@H](O)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589746622 1166680888 /nfs/dbraw/zinc/68/08/88/1166680888.db2.gz XQKUHTSVEWZUGN-VIFPVBQESA-N -1 1 307.310 0.204 20 0 DCADMM CC(C)OC[C@H](O)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589746622 1166680893 /nfs/dbraw/zinc/68/08/93/1166680893.db2.gz XQKUHTSVEWZUGN-VIFPVBQESA-N -1 1 307.310 0.204 20 0 DCADMM CC(C)O[C@@H]1CCN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001589750351 1166682626 /nfs/dbraw/zinc/68/26/26/1166682626.db2.gz WYLQRMPVWDJPEA-VHSXEESVSA-N -1 1 320.357 0.045 20 0 DCADMM C[C@@H](CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[S@@](C)=O ZINC001589824035 1166693641 /nfs/dbraw/zinc/69/36/41/1166693641.db2.gz OBCHNFLSHQVAFI-GTUYJWLHSA-N -1 1 322.394 0.078 20 0 DCADMM C[C@@H](CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[S@@](C)=O ZINC001589824035 1166693643 /nfs/dbraw/zinc/69/36/43/1166693643.db2.gz OBCHNFLSHQVAFI-GTUYJWLHSA-N -1 1 322.394 0.078 20 0 DCADMM C[C@H](CC[S@](C)=O)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589834867 1166695208 /nfs/dbraw/zinc/69/52/08/1166695208.db2.gz NCELYUUOBMKPOE-PJLCYMMNSA-N -1 1 323.382 0.540 20 0 DCADMM C[C@H](CC[S@](C)=O)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589834867 1166695213 /nfs/dbraw/zinc/69/52/13/1166695213.db2.gz NCELYUUOBMKPOE-PJLCYMMNSA-N -1 1 323.382 0.540 20 0 DCADMM C[C@H](CCO)CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589833718 1166695799 /nfs/dbraw/zinc/69/57/99/1166695799.db2.gz SOXXFDIPMKJKPV-QMMMGPOBSA-N -1 1 308.346 0.130 20 0 DCADMM C[C@H](CCO)CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589833718 1166695803 /nfs/dbraw/zinc/69/58/03/1166695803.db2.gz SOXXFDIPMKJKPV-QMMMGPOBSA-N -1 1 308.346 0.130 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCOC1 ZINC001589926315 1166720716 /nfs/dbraw/zinc/72/07/16/1166720716.db2.gz LEOOJWGZKWWTRR-CMPLNLGQSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCOC1 ZINC001589926315 1166720723 /nfs/dbraw/zinc/72/07/23/1166720723.db2.gz LEOOJWGZKWWTRR-CMPLNLGQSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCOC1 ZINC001589934744 1166723105 /nfs/dbraw/zinc/72/31/05/1166723105.db2.gz NVDAIHNGGLTXFP-JGVFFNPUSA-N -1 1 323.382 0.547 20 0 DCADMM C[C@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCOC1 ZINC001589934744 1166723115 /nfs/dbraw/zinc/72/31/15/1166723115.db2.gz NVDAIHNGGLTXFP-JGVFFNPUSA-N -1 1 323.382 0.547 20 0 DCADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C ZINC001589948213 1166727875 /nfs/dbraw/zinc/72/78/75/1166727875.db2.gz HOJOSEHOLXLPTE-ZETCQYMHSA-N -1 1 306.326 0.493 20 0 DCADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C ZINC001589948213 1166727880 /nfs/dbraw/zinc/72/78/80/1166727880.db2.gz HOJOSEHOLXLPTE-ZETCQYMHSA-N -1 1 306.326 0.493 20 0 DCADMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1nnc2n1CCC2 ZINC001589975200 1166732487 /nfs/dbraw/zinc/73/24/87/1166732487.db2.gz AXZVCRHGJZWUQJ-SSDOTTSWSA-N -1 1 317.382 0.712 20 0 DCADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1nnc2n1CCC2 ZINC001589975200 1166732495 /nfs/dbraw/zinc/73/24/95/1166732495.db2.gz AXZVCRHGJZWUQJ-SSDOTTSWSA-N -1 1 317.382 0.712 20 0 DCADMM C[C@@](O)(CNC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccco1 ZINC001589988643 1166737926 /nfs/dbraw/zinc/73/79/26/1166737926.db2.gz NVLSNDLHJKLMOZ-CQSZACIVSA-N -1 1 314.305 0.492 20 0 DCADMM C[C@@](O)(CNC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccco1 ZINC001589988643 1166737929 /nfs/dbraw/zinc/73/79/29/1166737929.db2.gz NVLSNDLHJKLMOZ-CQSZACIVSA-N -1 1 314.305 0.492 20 0 DCADMM C[C@@H](O)c1cccc(NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001590002816 1166750880 /nfs/dbraw/zinc/75/08/80/1166750880.db2.gz HILJJAGAHOOZND-MRVPVSSYSA-N -1 1 301.314 0.019 20 0 DCADMM CC1(C)CCN(c2ncncc2-c2nn[n-]n2)CC[S@]1=O ZINC001590100762 1166773666 /nfs/dbraw/zinc/77/36/66/1166773666.db2.gz YMFREMMPHKUFLQ-OAQYLSRUSA-N -1 1 307.383 0.394 20 0 DCADMM CC1(C)CCN(c2ncncc2-c2nn[n-]n2)CC[S@@]1=O ZINC001590100764 1166775181 /nfs/dbraw/zinc/77/51/81/1166775181.db2.gz YMFREMMPHKUFLQ-NRFANRHFSA-N -1 1 307.383 0.394 20 0 DCADMM CC1(C)OCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590118961 1166782968 /nfs/dbraw/zinc/78/29/68/1166782968.db2.gz QLAYAWGIWVDKKC-SNVBAGLBSA-N -1 1 302.338 0.807 20 0 DCADMM CC1(C)OCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590118961 1166782975 /nfs/dbraw/zinc/78/29/75/1166782975.db2.gz QLAYAWGIWVDKKC-SNVBAGLBSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@]1(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCOC1 ZINC001590132611 1166786229 /nfs/dbraw/zinc/78/62/29/1166786229.db2.gz SUUQRWOZBUWACC-ZDUSSCGKSA-N -1 1 303.326 0.810 20 0 DCADMM C[C@@]1(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCOC1 ZINC001590132611 1166786233 /nfs/dbraw/zinc/78/62/33/1166786233.db2.gz SUUQRWOZBUWACC-ZDUSSCGKSA-N -1 1 303.326 0.810 20 0 DCADMM C[C@@]1(O)CCN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001590150464 1166791167 /nfs/dbraw/zinc/79/11/67/1166791167.db2.gz QKYQTFXLHBEUDS-OAHLLOKOSA-N -1 1 312.333 0.945 20 0 DCADMM C[C@]1(NC(=O)c2cccc(-c3nnn[n-]3)n2)CCO[C@H]1C1CC1 ZINC001590145742 1166791617 /nfs/dbraw/zinc/79/16/17/1166791617.db2.gz QTEVLTRYPXPPKG-WFASDCNBSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@]1(NC(=O)c2cccc(-c3nn[n-]n3)n2)CCO[C@H]1C1CC1 ZINC001590145742 1166791624 /nfs/dbraw/zinc/79/16/24/1166791624.db2.gz QTEVLTRYPXPPKG-WFASDCNBSA-N -1 1 314.349 0.949 20 0 DCADMM CC1=CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590159012 1166792765 /nfs/dbraw/zinc/79/27/65/1166792765.db2.gz AQBDGLALTLFCMJ-UHFFFAOYSA-N -1 1 313.321 0.379 20 0 DCADMM CC1=CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590159012 1166792771 /nfs/dbraw/zinc/79/27/71/1166792771.db2.gz AQBDGLALTLFCMJ-UHFFFAOYSA-N -1 1 313.321 0.379 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@]2(C)CC(C)=NO2)c1-c1nnn[n-]1 ZINC001590161042 1166793828 /nfs/dbraw/zinc/79/38/28/1166793828.db2.gz CIMVBWFQIRJTNP-GFCCVEGCSA-N -1 1 304.314 0.402 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@]2(C)CC(C)=NO2)c1-c1nn[n-]n1 ZINC001590161042 1166793829 /nfs/dbraw/zinc/79/38/29/1166793829.db2.gz CIMVBWFQIRJTNP-GFCCVEGCSA-N -1 1 304.314 0.402 20 0 DCADMM C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc(-c2nn[nH]n2)nc1 ZINC001590170105 1166799171 /nfs/dbraw/zinc/79/91/71/1166799171.db2.gz ZWKHNVFMCFNWAB-GHMZBOCLSA-N -1 1 315.381 0.355 20 0 DCADMM C[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001590255741 1166826327 /nfs/dbraw/zinc/82/63/27/1166826327.db2.gz VNYKMHTWJQTHDB-JQWIXIFHSA-N -1 1 316.365 0.723 20 0 DCADMM C[C@@H]1CCCCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590253381 1166826536 /nfs/dbraw/zinc/82/65/36/1166826536.db2.gz DTYPQMNHFQGNCY-SNVBAGLBSA-N -1 1 319.373 0.290 20 0 DCADMM C[C@H](C(=O)NC[C@H]1CCC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590246141 1166827470 /nfs/dbraw/zinc/82/74/70/1166827470.db2.gz BTMUWKJKILPNLL-OPRDCNLKSA-N -1 1 304.358 0.572 20 0 DCADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](C(N)=O)C1 ZINC001590270570 1166831690 /nfs/dbraw/zinc/83/16/90/1166831690.db2.gz ZUTBBAQGPGCOGS-HTQZYQBOSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](C(N)=O)C1 ZINC001590270570 1166831693 /nfs/dbraw/zinc/83/16/93/1166831693.db2.gz ZUTBBAQGPGCOGS-HTQZYQBOSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCC1=O ZINC001590292767 1166842705 /nfs/dbraw/zinc/84/27/05/1166842705.db2.gz PRZBYLMOGJXCFO-VIFPVBQESA-N -1 1 300.322 0.242 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCC1=O ZINC001590292767 1166842710 /nfs/dbraw/zinc/84/27/10/1166842710.db2.gz PRZBYLMOGJXCFO-VIFPVBQESA-N -1 1 300.322 0.242 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@]1(C)CO ZINC001590299384 1166849318 /nfs/dbraw/zinc/84/93/18/1166849318.db2.gz FLXWFAPTSHAOIK-LKFCYVNXSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@]1(C)CO ZINC001590299384 1166849326 /nfs/dbraw/zinc/84/93/26/1166849326.db2.gz FLXWFAPTSHAOIK-LKFCYVNXSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1CN(CCO)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590309728 1166855664 /nfs/dbraw/zinc/85/56/64/1166855664.db2.gz SZVBZRFEIXIMLI-SECBINFHSA-N -1 1 322.394 0.067 20 0 DCADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@]2(CCCOC2)O1 ZINC001590315150 1166861354 /nfs/dbraw/zinc/86/13/54/1166861354.db2.gz FQNXPUPUDCFOJT-QMTHXVAHSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@]2(CCCOC2)O1 ZINC001590315150 1166861357 /nfs/dbraw/zinc/86/13/57/1166861357.db2.gz FQNXPUPUDCFOJT-QMTHXVAHSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1COCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590321817 1166863455 /nfs/dbraw/zinc/86/34/55/1166863455.db2.gz CNURZWOEKZINMI-RKDXNWHRSA-N -1 1 303.326 0.808 20 0 DCADMM C[C@@H]1COCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590321817 1166863459 /nfs/dbraw/zinc/86/34/59/1166863459.db2.gz CNURZWOEKZINMI-RKDXNWHRSA-N -1 1 303.326 0.808 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1ncncc1-c1nn[n-]n1)C[C@@H](C)O2 ZINC001590319691 1166863910 /nfs/dbraw/zinc/86/39/10/1166863910.db2.gz FVOWACBAJSKSNJ-ISTVAULSSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@H]1OCC[C@]1(C)NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590334112 1166871426 /nfs/dbraw/zinc/87/14/26/1166871426.db2.gz ORHKUDWHSTUTNN-PELKAZGASA-N -1 1 324.366 0.108 20 0 DCADMM C[C@H]1OCC[C@@]1(O)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590335242 1166872717 /nfs/dbraw/zinc/87/27/17/1166872717.db2.gz VLCWHARRHDMEJY-XLKFXECMSA-N -1 1 317.353 0.486 20 0 DCADMM C[C@H]1OCC[C@@]1(O)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590335242 1166872720 /nfs/dbraw/zinc/87/27/20/1166872720.db2.gz VLCWHARRHDMEJY-XLKFXECMSA-N -1 1 317.353 0.486 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590348200 1166878161 /nfs/dbraw/zinc/87/81/61/1166878161.db2.gz RCXBXNRRDSDSMT-KSXVILFYSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590348200 1166878167 /nfs/dbraw/zinc/87/81/67/1166878167.db2.gz RCXBXNRRDSDSMT-KSXVILFYSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590350248 1166879361 /nfs/dbraw/zinc/87/93/61/1166879361.db2.gz PEZDXOIXTOFNPF-LIIPPBBTSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590350248 1166879369 /nfs/dbraw/zinc/87/93/69/1166879369.db2.gz PEZDXOIXTOFNPF-LIIPPBBTSA-N -1 1 314.353 0.682 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001590361209 1166884421 /nfs/dbraw/zinc/88/44/21/1166884421.db2.gz ZNONCCKCJCWQEZ-SECBINFHSA-N -1 1 302.342 0.388 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001590361209 1166884423 /nfs/dbraw/zinc/88/44/23/1166884423.db2.gz ZNONCCKCJCWQEZ-SECBINFHSA-N -1 1 302.342 0.388 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001590360749 1166884440 /nfs/dbraw/zinc/88/44/40/1166884440.db2.gz JEKGQZFVUJSIQO-BDAKNGLRSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001590360749 1166884442 /nfs/dbraw/zinc/88/44/42/1166884442.db2.gz JEKGQZFVUJSIQO-BDAKNGLRSA-N -1 1 302.342 0.468 20 0 DCADMM CC[C@](C)(CCO)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590381671 1166894028 /nfs/dbraw/zinc/89/40/28/1166894028.db2.gz LZOARXZQDHQJKK-CYBMUJFWSA-N -1 1 305.342 0.934 20 0 DCADMM CC[C@](C)(CCO)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590381671 1166894034 /nfs/dbraw/zinc/89/40/34/1166894034.db2.gz LZOARXZQDHQJKK-CYBMUJFWSA-N -1 1 305.342 0.934 20 0 DCADMM CC[C@H](C)[C@H](COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)OC ZINC001590400274 1166898316 /nfs/dbraw/zinc/89/83/16/1166898316.db2.gz OYNKCSYMBXDWIY-AEJSXWLSSA-N -1 1 323.357 0.624 20 0 DCADMM CC[C@H](C)C(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590394327 1166898458 /nfs/dbraw/zinc/89/84/58/1166898458.db2.gz YCKDZEWPWBWIGA-VIFPVBQESA-N -1 1 304.358 0.043 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590452836 1166909641 /nfs/dbraw/zinc/90/96/41/1166909641.db2.gz NDSGZUMHECHPNL-RKDXNWHRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590452836 1166909648 /nfs/dbraw/zinc/90/96/48/1166909648.db2.gz NDSGZUMHECHPNL-RKDXNWHRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](Cn1c(=O)c(-c2nn[n-]n2)c(C)n(C2CC2)c1=O)OC ZINC001590452319 1166910219 /nfs/dbraw/zinc/91/02/19/1166910219.db2.gz QKICDRQVAJZUNY-JTQLQIEISA-N -1 1 320.353 0.258 20 0 DCADMM CC[C@H](Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O)OC ZINC001590452525 1166910472 /nfs/dbraw/zinc/91/04/72/1166910472.db2.gz WVPRLZVPIVCEPF-SECBINFHSA-N -1 1 317.349 0.972 20 0 DCADMM CCC(F)(F)C[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001590451764 1166910665 /nfs/dbraw/zinc/91/06/65/1166910665.db2.gz MLJOZVRKXNEPEU-UHFFFAOYSA-N -1 1 318.309 0.585 20 0 DCADMM CC[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(OC)OC ZINC001590459445 1166916200 /nfs/dbraw/zinc/91/62/00/1166916200.db2.gz KFAWRFPEHKZDCP-VIFPVBQESA-N -1 1 306.326 0.389 20 0 DCADMM CC[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(OC)OC ZINC001590459445 1166916204 /nfs/dbraw/zinc/91/62/04/1166916204.db2.gz KFAWRFPEHKZDCP-VIFPVBQESA-N -1 1 306.326 0.389 20 0 DCADMM CCC(O)(CC)CCNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590474453 1166920475 /nfs/dbraw/zinc/92/04/75/1166920475.db2.gz JBRKTYWPCMTTHY-VIFPVBQESA-N -1 1 322.373 0.077 20 0 DCADMM CCC1(C(=O)NCCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001590488536 1166922848 /nfs/dbraw/zinc/92/28/48/1166922848.db2.gz WWGKATLTQGSCOI-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CCC1(C(=O)NCCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001590488536 1166922857 /nfs/dbraw/zinc/92/28/57/1166922857.db2.gz WWGKATLTQGSCOI-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CCC1(O)CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590499895 1166924976 /nfs/dbraw/zinc/92/49/76/1166924976.db2.gz LXJKXTLBFCORMG-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM CCC1(O)CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590499895 1166924981 /nfs/dbraw/zinc/92/49/81/1166924981.db2.gz LXJKXTLBFCORMG-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM CC[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001590506524 1166928915 /nfs/dbraw/zinc/92/89/15/1166928915.db2.gz UDWBSHGQXGOHAE-WDEREUQCSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001590506524 1166928921 /nfs/dbraw/zinc/92/89/21/1166928921.db2.gz UDWBSHGQXGOHAE-WDEREUQCSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001590519241 1166930820 /nfs/dbraw/zinc/93/08/20/1166930820.db2.gz YGOQRTTUTYWNFN-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM CC[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001590519241 1166930828 /nfs/dbraw/zinc/93/08/28/1166930828.db2.gz YGOQRTTUTYWNFN-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM CCCC(=O)NC[C@@H](CC)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590536355 1166936008 /nfs/dbraw/zinc/93/60/08/1166936008.db2.gz CQNNIJQVRWPVLY-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)NC[C@@H](CC)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590536355 1166936011 /nfs/dbraw/zinc/93/60/11/1166936011.db2.gz CQNNIJQVRWPVLY-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)NC[C@@H](CC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590536414 1166938093 /nfs/dbraw/zinc/93/80/93/1166938093.db2.gz HQTCQURCCRGZQN-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)NC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590536414 1166938102 /nfs/dbraw/zinc/93/81/02/1166938102.db2.gz HQTCQURCCRGZQN-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCC[C@@](C)(CO)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001590542567 1166938882 /nfs/dbraw/zinc/93/88/82/1166938882.db2.gz ABXLACNBSXPJRF-AWEZNQCLSA-N -1 1 320.353 0.557 20 0 DCADMM CCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590537721 1166939307 /nfs/dbraw/zinc/93/93/07/1166939307.db2.gz ZLFJBCYMTMSTOP-SECBINFHSA-N -1 1 302.342 0.152 20 0 DCADMM CCCC(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590536447 1166940426 /nfs/dbraw/zinc/94/04/26/1166940426.db2.gz IWPCSDTYIIGTKY-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590536447 1166940427 /nfs/dbraw/zinc/94/04/27/1166940427.db2.gz IWPCSDTYIIGTKY-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCC[C@@H](C)CCNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590549295 1166943035 /nfs/dbraw/zinc/94/30/35/1166943035.db2.gz DIQUWUXLDBLWRC-NXEZZACHSA-N -1 1 306.374 0.962 20 0 DCADMM CCC[C@@H](CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)OCC ZINC001590557454 1166943093 /nfs/dbraw/zinc/94/30/93/1166943093.db2.gz OZJLJOJIGPKBHN-UWVGGRQHSA-N -1 1 322.373 0.341 20 0 DCADMM CCC[C@H](O)[C@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590559708 1166944598 /nfs/dbraw/zinc/94/45/98/1166944598.db2.gz IZLVQXYLUMRBQG-IUCAKERBSA-N -1 1 312.761 0.849 20 0 DCADMM CCC[C@H](O)[C@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590559708 1166944601 /nfs/dbraw/zinc/94/46/01/1166944601.db2.gz IZLVQXYLUMRBQG-IUCAKERBSA-N -1 1 312.761 0.849 20 0 DCADMM CCC[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590571317 1166946876 /nfs/dbraw/zinc/94/68/76/1166946876.db2.gz YWORVRVBSVNALP-SNVBAGLBSA-N -1 1 304.358 0.639 20 0 DCADMM CCCN(CCO)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590627385 1166953483 /nfs/dbraw/zinc/95/34/83/1166953483.db2.gz ZHHRAOSYFDORBS-UHFFFAOYSA-N -1 1 317.396 0.321 20 0 DCADMM CCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590635388 1166954396 /nfs/dbraw/zinc/95/43/96/1166954396.db2.gz XMWCPZYPSSJSKR-SSDOTTSWSA-N -1 1 306.326 0.413 20 0 DCADMM CCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590635388 1166954402 /nfs/dbraw/zinc/95/44/02/1166954402.db2.gz XMWCPZYPSSJSKR-SSDOTTSWSA-N -1 1 306.326 0.413 20 0 DCADMM CCN(C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)[C@H](C)C(C)C ZINC001590667867 1166962603 /nfs/dbraw/zinc/96/26/03/1166962603.db2.gz VVHRFFLHUOYSNA-NXEZZACHSA-N -1 1 306.374 0.912 20 0 DCADMM CCN(C(=O)Nc1snc(C)c1-c1nnn[n-]1)[C@H](C)CO ZINC001590672534 1166965673 /nfs/dbraw/zinc/96/56/73/1166965673.db2.gz YAFJULCKQHKLDM-ZCFIWIBFSA-N -1 1 311.371 0.866 20 0 DCADMM CCN(C(=O)Nc1snc(C)c1-c1nn[n-]n1)[C@H](C)CO ZINC001590672534 1166965681 /nfs/dbraw/zinc/96/56/81/1166965681.db2.gz YAFJULCKQHKLDM-ZCFIWIBFSA-N -1 1 311.371 0.866 20 0 DCADMM CCN(CC1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590690374 1166973655 /nfs/dbraw/zinc/97/36/55/1166973655.db2.gz NMSJDTHQCLCBFM-UHFFFAOYSA-N -1 1 308.367 0.682 20 0 DCADMM CCN(CC1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590690374 1166973662 /nfs/dbraw/zinc/97/36/62/1166973662.db2.gz NMSJDTHQCLCBFM-UHFFFAOYSA-N -1 1 308.367 0.682 20 0 DCADMM CCN(CC)C(=O)CN(C)c1ccc(C)nc1-c1nnn[n-]1 ZINC001590684229 1166975297 /nfs/dbraw/zinc/97/52/97/1166975297.db2.gz SLAKVKODTRFYPG-UHFFFAOYSA-N -1 1 303.370 0.875 20 0 DCADMM CCN(CC)C(=O)CN(C)c1ccc(C)nc1-c1nn[n-]n1 ZINC001590684229 1166975298 /nfs/dbraw/zinc/97/52/98/1166975298.db2.gz SLAKVKODTRFYPG-UHFFFAOYSA-N -1 1 303.370 0.875 20 0 DCADMM CCOC(=O)C1(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)CCC1 ZINC001590752429 1167005531 /nfs/dbraw/zinc/00/55/31/1167005531.db2.gz FYTNOJJXPUTTBN-UHFFFAOYSA-N -1 1 319.325 0.570 20 0 DCADMM CCOC(=O)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590770255 1167014907 /nfs/dbraw/zinc/01/49/07/1167014907.db2.gz WTEZEDQFUUWRSA-SECBINFHSA-N -1 1 303.326 0.436 20 0 DCADMM CCOC(=O)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590770255 1167014913 /nfs/dbraw/zinc/01/49/13/1167014913.db2.gz WTEZEDQFUUWRSA-SECBINFHSA-N -1 1 303.326 0.436 20 0 DCADMM CCOC1CC(O)(CNc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001590791783 1167020477 /nfs/dbraw/zinc/02/04/77/1167020477.db2.gz OOLBHPNCNKFZEZ-UHFFFAOYSA-N -1 1 319.369 0.561 20 0 DCADMM CCOC1CC(O)(CNc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001590791783 1167020483 /nfs/dbraw/zinc/02/04/83/1167020483.db2.gz OOLBHPNCNKFZEZ-UHFFFAOYSA-N -1 1 319.369 0.561 20 0 DCADMM CCO[C@H]1C[C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590823019 1167033179 /nfs/dbraw/zinc/03/31/79/1167033179.db2.gz NYIKQUUWVKAXBN-XYPYZODXSA-N -1 1 302.338 0.488 20 0 DCADMM CCO[C@H]1C[C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590823019 1167033188 /nfs/dbraw/zinc/03/31/88/1167033188.db2.gz NYIKQUUWVKAXBN-XYPYZODXSA-N -1 1 302.338 0.488 20 0 DCADMM CCc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n(C)n1 ZINC001590882762 1167042877 /nfs/dbraw/zinc/04/28/77/1167042877.db2.gz OFAPONWZWINONL-UHFFFAOYSA-N -1 1 312.337 0.739 20 0 DCADMM CCc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n(C)n1 ZINC001590882762 1167042882 /nfs/dbraw/zinc/04/28/82/1167042882.db2.gz OFAPONWZWINONL-UHFFFAOYSA-N -1 1 312.337 0.739 20 0 DCADMM CCc1csc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)n1 ZINC001590902607 1167043630 /nfs/dbraw/zinc/04/36/30/1167043630.db2.gz JDORLHZKZOWOCE-UHFFFAOYSA-N -1 1 304.339 0.547 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H](C)C[S@@](C)=O)n1 ZINC001590903680 1167043720 /nfs/dbraw/zinc/04/37/20/1167043720.db2.gz GGZVLASICWJDFB-HXNGOWOSSA-N -1 1 309.399 0.422 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H](C)C[S@@](C)=O)n1 ZINC001590903680 1167043725 /nfs/dbraw/zinc/04/37/25/1167043725.db2.gz GGZVLASICWJDFB-HXNGOWOSSA-N -1 1 309.399 0.422 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3COC[C@H]3C2)n1 ZINC001590906285 1167046354 /nfs/dbraw/zinc/04/63/54/1167046354.db2.gz CSUUWCQCGGKDTB-NXEZZACHSA-N -1 1 301.354 0.692 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3COC[C@H]3C2)n1 ZINC001590906285 1167046359 /nfs/dbraw/zinc/04/63/59/1167046359.db2.gz CSUUWCQCGGKDTB-NXEZZACHSA-N -1 1 301.354 0.692 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@](O)(C3CC3)C2)n1 ZINC001590905921 1167046840 /nfs/dbraw/zinc/04/68/40/1167046840.db2.gz KFHJNZHXLWGAIQ-AWEZNQCLSA-N -1 1 301.354 0.570 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@](O)(C3CC3)C2)n1 ZINC001590905921 1167046844 /nfs/dbraw/zinc/04/68/44/1167046844.db2.gz KFHJNZHXLWGAIQ-AWEZNQCLSA-N -1 1 301.354 0.570 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](OCCOC)C2)n1 ZINC001590906110 1167046895 /nfs/dbraw/zinc/04/68/95/1167046895.db2.gz RSGDDMXSUFLQFN-SNVBAGLBSA-N -1 1 319.369 0.461 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](OCCOC)C2)n1 ZINC001590906110 1167046897 /nfs/dbraw/zinc/04/68/97/1167046897.db2.gz RSGDDMXSUFLQFN-SNVBAGLBSA-N -1 1 319.369 0.461 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCc3cc[nH]c(=O)c3C2)n1 ZINC001590909151 1167048219 /nfs/dbraw/zinc/04/82/19/1167048219.db2.gz CWVNRZZNEOERIH-UHFFFAOYSA-N -1 1 324.348 0.882 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCc3cc[nH]c(=O)c3C2)n1 ZINC001590909151 1167048225 /nfs/dbraw/zinc/04/82/25/1167048225.db2.gz CWVNRZZNEOERIH-UHFFFAOYSA-N -1 1 324.348 0.882 20 0 DCADMM CCc1nc(C)c(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)o1 ZINC001590911960 1167049392 /nfs/dbraw/zinc/04/93/92/1167049392.db2.gz VOTLTJAZFRQQHG-UHFFFAOYSA-N -1 1 303.282 0.036 20 0 DCADMM CCc1nc(NCC(C)(C)C(=O)OC)cc(-c2nnn[n-]2)n1 ZINC001590916829 1167051680 /nfs/dbraw/zinc/05/16/80/1167051680.db2.gz UZATUEPWEOZJDB-UHFFFAOYSA-N -1 1 305.342 0.830 20 0 DCADMM CCc1nc(NCC(C)(C)C(=O)OC)cc(-c2nn[n-]n2)n1 ZINC001590916829 1167051684 /nfs/dbraw/zinc/05/16/84/1167051684.db2.gz UZATUEPWEOZJDB-UHFFFAOYSA-N -1 1 305.342 0.830 20 0 DCADMM CCc1nc(NCC[C@]2(O)CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001590919312 1167052129 /nfs/dbraw/zinc/05/21/29/1167052129.db2.gz INAHXDRINVHJCD-CQSZACIVSA-N -1 1 319.369 0.563 20 0 DCADMM CCc1nc(NCC[C@]2(O)CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001590919312 1167052131 /nfs/dbraw/zinc/05/21/31/1167052131.db2.gz INAHXDRINVHJCD-CQSZACIVSA-N -1 1 319.369 0.563 20 0 DCADMM CCc1nc(NCCOC[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001590922656 1167052608 /nfs/dbraw/zinc/05/26/08/1167052608.db2.gz TWXQTJFRICIGBJ-SNVBAGLBSA-N -1 1 319.369 0.684 20 0 DCADMM CCc1nc(NCCOC[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001590922656 1167052612 /nfs/dbraw/zinc/05/26/12/1167052612.db2.gz TWXQTJFRICIGBJ-SNVBAGLBSA-N -1 1 319.369 0.684 20 0 DCADMM CCc1nn(C[C@H]2CC(C)=NO2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929217 1167055229 /nfs/dbraw/zinc/05/52/29/1167055229.db2.gz APEZFDHKZMHFAD-SECBINFHSA-N -1 1 317.353 0.713 20 0 DCADMM CCc1nnc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)s1 ZINC001590932095 1167055278 /nfs/dbraw/zinc/05/52/78/1167055278.db2.gz MSYTUXDUNSDZMB-UHFFFAOYSA-N -1 1 302.323 0.928 20 0 DCADMM CCc1nnc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)s1 ZINC001590932095 1167055281 /nfs/dbraw/zinc/05/52/81/1167055281.db2.gz MSYTUXDUNSDZMB-UHFFFAOYSA-N -1 1 302.323 0.928 20 0 DCADMM CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N(C)C1CCC1 ZINC001590943558 1167057205 /nfs/dbraw/zinc/05/72/05/1167057205.db2.gz HQSZWIQNMSZKMO-UHFFFAOYSA-N -1 1 314.357 0.857 20 0 DCADMM CCn1ccnc(NCc2nc(-c3nn[n-]n3)cs2)c1=O ZINC001590960521 1167059970 /nfs/dbraw/zinc/05/99/70/1167059970.db2.gz ANCFRBWRRKVHJM-UHFFFAOYSA-N -1 1 304.339 0.512 20 0 DCADMM CCn1cncc(NC(=O)c2ccsc2-c2nn[n-]n2)c1=O ZINC001590963787 1167061989 /nfs/dbraw/zinc/06/19/89/1167061989.db2.gz KZEZLYWXPUGATL-UHFFFAOYSA-N -1 1 317.334 0.757 20 0 DCADMM CN(C(=O)c1coc(-c2nnn[n-]2)c1)C1CCS(=O)CC1 ZINC001590998113 1167069131 /nfs/dbraw/zinc/06/91/31/1167069131.db2.gz CUADDXPVLYQPPW-UHFFFAOYSA-N -1 1 309.351 0.443 20 0 DCADMM CN(C(=O)c1coc(-c2nn[n-]n2)c1)C1CCS(=O)CC1 ZINC001590998113 1167069134 /nfs/dbraw/zinc/06/91/34/1167069134.db2.gz CUADDXPVLYQPPW-UHFFFAOYSA-N -1 1 309.351 0.443 20 0 DCADMM CN(C)C(=O)O[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591004357 1167073927 /nfs/dbraw/zinc/07/39/27/1167073927.db2.gz YRZMOPLDYAXTDD-VIFPVBQESA-N -1 1 303.326 0.539 20 0 DCADMM CN(C)C(=O)O[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591004357 1167073931 /nfs/dbraw/zinc/07/39/31/1167073931.db2.gz YRZMOPLDYAXTDD-VIFPVBQESA-N -1 1 303.326 0.539 20 0 DCADMM CN(CCCNC(=O)C(C)(C)F)c1cncc(-c2nnn[n-]2)n1 ZINC001591069693 1167099152 /nfs/dbraw/zinc/09/91/52/1167099152.db2.gz LYNFCEFXVPTVRK-UHFFFAOYSA-N -1 1 322.348 0.347 20 0 DCADMM CN(CCCNC(=O)C(C)(C)F)c1cncc(-c2nn[n-]n2)n1 ZINC001591069693 1167099156 /nfs/dbraw/zinc/09/91/56/1167099156.db2.gz LYNFCEFXVPTVRK-UHFFFAOYSA-N -1 1 322.348 0.347 20 0 DCADMM CN(CCCNc1cc(-c2nn[n-]n2)ncn1)c1ccccn1 ZINC001591082748 1167101381 /nfs/dbraw/zinc/10/13/81/1167101381.db2.gz YUBHZIIGXGEQCS-UHFFFAOYSA-N -1 1 311.353 0.990 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccncc1F ZINC001591090547 1167102778 /nfs/dbraw/zinc/10/27/78/1167102778.db2.gz JLEYMMRLTRBOIW-UHFFFAOYSA-N -1 1 317.332 0.775 20 0 DCADMM CN(CCn1cnnc1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591123586 1167107683 /nfs/dbraw/zinc/10/76/83/1167107683.db2.gz MPMSHXXKNZAELA-UHFFFAOYSA-N -1 1 304.339 0.292 20 0 DCADMM CN(CCn1cnnc1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591123586 1167107688 /nfs/dbraw/zinc/10/76/88/1167107688.db2.gz MPMSHXXKNZAELA-UHFFFAOYSA-N -1 1 304.339 0.292 20 0 DCADMM CN1C(=O)COc2ccc(Nc3cncc(-c4nnn[n-]4)n3)cc21 ZINC001591164909 1167121643 /nfs/dbraw/zinc/12/16/43/1167121643.db2.gz HLDFJPQKEDFRBP-UHFFFAOYSA-N -1 1 324.304 0.756 20 0 DCADMM CN1C(=O)COc2ccc(Nc3cncc(-c4nn[n-]n4)n3)cc21 ZINC001591164909 1167121647 /nfs/dbraw/zinc/12/16/47/1167121647.db2.gz HLDFJPQKEDFRBP-UHFFFAOYSA-N -1 1 324.304 0.756 20 0 DCADMM CN1C(=O)c2ccccc2[C@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001591165835 1167121930 /nfs/dbraw/zinc/12/19/30/1167121930.db2.gz YOGGWVPSDIKLDQ-GFCCVEGCSA-N -1 1 322.332 0.896 20 0 DCADMM CN1C(=O)c2ccccc2[C@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001591165835 1167121934 /nfs/dbraw/zinc/12/19/34/1167121934.db2.gz YOGGWVPSDIKLDQ-GFCCVEGCSA-N -1 1 322.332 0.896 20 0 DCADMM CN1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C(C)(C)C1=O ZINC001591190206 1167141260 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COC(=O)CC(C)(C)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591257421 1167181710 /nfs/dbraw/zinc/18/17/10/1167181710.db2.gz LEJUUZSYDUHKRZ-UHFFFAOYSA-N -1 1 307.310 0.873 20 0 DCADMM COC(=O)CC(C)(C)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591257421 1167181715 /nfs/dbraw/zinc/18/17/15/1167181715.db2.gz LEJUUZSYDUHKRZ-UHFFFAOYSA-N -1 1 307.310 0.873 20 0 DCADMM COC(=O)CCCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591262803 1167185903 /nfs/dbraw/zinc/18/59/03/1167185903.db2.gz HFXXAXBLCKUJDZ-UHFFFAOYSA-N -1 1 310.339 0.995 20 0 DCADMM COC(=O)CCCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591262803 1167185907 /nfs/dbraw/zinc/18/59/07/1167185907.db2.gz HFXXAXBLCKUJDZ-UHFFFAOYSA-N -1 1 310.339 0.995 20 0 DCADMM COC(=O)C[C@@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591263604 1167187116 /nfs/dbraw/zinc/18/71/16/1167187116.db2.gz AMQNAVHACSCPOQ-VIFPVBQESA-N -1 1 316.321 0.429 20 0 DCADMM COC(=O)C[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591263604 1167187123 /nfs/dbraw/zinc/18/71/23/1167187123.db2.gz 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/nfs/dbraw/zinc/23/01/87/1167230187.db2.gz XYTGIWZQFXWFBI-VIFPVBQESA-N -1 1 306.326 0.524 20 0 DCADMM CO[C@@H]1CC[C@H]1N(C)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001591356137 1167230582 /nfs/dbraw/zinc/23/05/82/1167230582.db2.gz XGXUKMFCZDVWMR-RKDXNWHRSA-N -1 1 324.366 0.060 20 0 DCADMM CO[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591355214 1167231933 /nfs/dbraw/zinc/23/19/33/1167231933.db2.gz VPDOJDVQLJLPIF-MRVPVSSYSA-N -1 1 313.339 0.259 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591360451 1167232577 /nfs/dbraw/zinc/23/25/77/1167232577.db2.gz ICURTFTVOACKRU-MWLCHTKSSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591360451 1167232584 /nfs/dbraw/zinc/23/25/84/1167232584.db2.gz ICURTFTVOACKRU-MWLCHTKSSA-N -1 1 305.342 0.429 20 0 DCADMM COC[C@@H](O)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591380775 1167249814 /nfs/dbraw/zinc/24/98/14/1167249814.db2.gz MFGVNCNDVYKLSO-YFKPBYRVSA-N -1 1 304.763 0.786 20 0 DCADMM 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VWIKPNRTIZDAMR-UHFFFAOYSA-N -1 1 313.321 0.708 20 0 DCADMM COc1ccncc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591656387 1167340190 /nfs/dbraw/zinc/34/01/90/1167340190.db2.gz YDQKEWOQGZDGHJ-UHFFFAOYSA-N -1 1 300.278 0.793 20 0 DCADMM COc1ccncc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591656387 1167340194 /nfs/dbraw/zinc/34/01/94/1167340194.db2.gz YDQKEWOQGZDGHJ-UHFFFAOYSA-N -1 1 300.278 0.793 20 0 DCADMM COc1cccc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001591636780 1167341275 /nfs/dbraw/zinc/34/12/75/1167341275.db2.gz PMCMMAPHPGHSJF-UHFFFAOYSA-N -1 1 300.282 0.175 20 0 DCADMM COc1cccc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001591636780 1167341277 /nfs/dbraw/zinc/34/12/77/1167341277.db2.gz PMCMMAPHPGHSJF-UHFFFAOYSA-N -1 1 300.282 0.175 20 0 DCADMM COc1cnc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nc1 ZINC001591660238 1167344337 /nfs/dbraw/zinc/34/43/37/1167344337.db2.gz VDLFMPGXHRNKEH-UHFFFAOYSA-N -1 1 313.277 0.623 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591672626 1167347611 /nfs/dbraw/zinc/34/76/11/1167347611.db2.gz BDAKOKHRAAPTRD-MWLCHTKSSA-N -1 1 322.394 0.451 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591672626 1167347616 /nfs/dbraw/zinc/34/76/16/1167347616.db2.gz BDAKOKHRAAPTRD-MWLCHTKSSA-N -1 1 322.394 0.451 20 0 DCADMM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001591672800 1167349352 /nfs/dbraw/zinc/34/93/52/1167349352.db2.gz CSCOLNLFNSINRW-BDAKNGLRSA-N -1 1 323.382 0.424 20 0 DCADMM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001591672800 1167349358 /nfs/dbraw/zinc/34/93/58/1167349358.db2.gz CSCOLNLFNSINRW-BDAKNGLRSA-N -1 1 323.382 0.424 20 0 DCADMM CS(=O)(=O)c1cnn(Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001591681504 1167350877 /nfs/dbraw/zinc/35/08/77/1167350877.db2.gz PZRDXDKOKGSJIK-UHFFFAOYSA-N -1 1 310.364 0.577 20 0 DCADMM CSC[C@](C)(O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591694225 1167356598 /nfs/dbraw/zinc/35/65/98/1167356598.db2.gz PHTZOLUBJZHTAR-CYBMUJFWSA-N -1 1 322.394 0.034 20 0 DCADMM CSC[C@](C)(O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591694225 1167356601 /nfs/dbraw/zinc/35/66/01/1167356601.db2.gz PHTZOLUBJZHTAR-CYBMUJFWSA-N -1 1 322.394 0.034 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)Nc2ccon2)cc1-c1nn[n-]n1 ZINC001591705956 1167357531 /nfs/dbraw/zinc/35/75/31/1167357531.db2.gz RYEUVTFGUIAZEF-UHFFFAOYSA-N -1 1 319.306 0.930 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cncc(F)c2)nn1C ZINC001591796227 1167381020 /nfs/dbraw/zinc/38/10/20/1167381020.db2.gz ASSDPHYLFGVLPH-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cncc(F)c2)nn1C ZINC001591796227 1167381023 /nfs/dbraw/zinc/38/10/23/1167381023.db2.gz ASSDPHYLFGVLPH-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cccc3ncnn32)nn1C ZINC001591797655 1167384403 /nfs/dbraw/zinc/38/44/03/1167384403.db2.gz VDTLBYMIEHKVRK-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cccc3ncnn32)nn1C ZINC001591797655 1167384408 /nfs/dbraw/zinc/38/44/08/1167384408.db2.gz VDTLBYMIEHKVRK-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC(C2CC2)C1 ZINC001591835422 1167390848 /nfs/dbraw/zinc/39/08/48/1167390848.db2.gz XJNDCLWTJJXRIR-UHFFFAOYSA-N -1 1 300.322 0.758 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCC(=O)N2CCCCC2)n1 ZINC001591897033 1167412617 /nfs/dbraw/zinc/41/26/17/1167412617.db2.gz WMSWGOIIDSJVTB-UHFFFAOYSA-N -1 1 316.369 0.780 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCC(=O)N2CCCCC2)n1 ZINC001591897033 1167412618 /nfs/dbraw/zinc/41/26/18/1167412618.db2.gz WMSWGOIIDSJVTB-UHFFFAOYSA-N -1 1 316.369 0.780 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)n1 ZINC001591892489 1167413226 /nfs/dbraw/zinc/41/32/26/1167413226.db2.gz PBDCEELVWQLCAM-BCMRRPTOSA-N -1 1 314.353 0.386 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)n1 ZINC001591892489 1167413228 /nfs/dbraw/zinc/41/32/28/1167413228.db2.gz PBDCEELVWQLCAM-BCMRRPTOSA-N -1 1 314.353 0.386 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)n1 ZINC001591896170 1167414030 /nfs/dbraw/zinc/41/40/30/1167414030.db2.gz GUUSKKWSAZPXIE-KKZNHRDASA-N -1 1 303.326 0.181 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)n1 ZINC001591896170 1167414033 /nfs/dbraw/zinc/41/40/33/1167414033.db2.gz GUUSKKWSAZPXIE-KKZNHRDASA-N -1 1 303.326 0.181 20 0 DCADMM Cc1cc(C)nc(C2CN(c3cc(-c4nnn[n-]4)nc(C)n3)C2)n1 ZINC001591956944 1167426422 /nfs/dbraw/zinc/42/64/22/1167426422.db2.gz SKDMSWSQUYIFNM-UHFFFAOYSA-N -1 1 323.364 0.976 20 0 DCADMM Cc1cc(C)nc(C2CN(c3cc(-c4nn[n-]n4)nc(C)n3)C2)n1 ZINC001591956944 1167426427 /nfs/dbraw/zinc/42/64/27/1167426427.db2.gz SKDMSWSQUYIFNM-UHFFFAOYSA-N -1 1 323.364 0.976 20 0 DCADMM Cc1cc(N2C[C@](C)(CO)[C@](C)(CO)C2)cc(-c2nnn[n-]2)n1 ZINC001592010743 1167434811 /nfs/dbraw/zinc/43/48/11/1167434811.db2.gz GFPMVJPOWNXZIM-GASCZTMLSA-N -1 1 318.381 0.387 20 0 DCADMM Cc1cc(N2C[C@](C)(CO)[C@](C)(CO)C2)cc(-c2nn[n-]n2)n1 ZINC001592010743 1167434813 /nfs/dbraw/zinc/43/48/13/1167434813.db2.gz GFPMVJPOWNXZIM-GASCZTMLSA-N -1 1 318.381 0.387 20 0 DCADMM Cc1cc(NC(=O)Cn2ccn3ncc(-c4nn[n-]n4)c23)no1 ZINC001592019595 1167436720 /nfs/dbraw/zinc/43/67/20/1167436720.db2.gz LRDPREIWQRFDMQ-UHFFFAOYSA-N -1 1 313.281 0.251 20 0 DCADMM Cc1cc(NC(=O)COc2cccnc2-c2nnn[n-]2)n(C)n1 ZINC001592018030 1167437327 /nfs/dbraw/zinc/43/73/27/1167437327.db2.gz PFBYXMVMGKQMJC-UHFFFAOYSA-N -1 1 314.309 0.321 20 0 DCADMM Cc1cc(NC(=O)COc2cccnc2-c2nn[n-]n2)n(C)n1 ZINC001592018030 1167437330 /nfs/dbraw/zinc/43/73/30/1167437330.db2.gz PFBYXMVMGKQMJC-UHFFFAOYSA-N -1 1 314.309 0.321 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N(CC3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592035878 1167440244 /nfs/dbraw/zinc/44/02/44/1167440244.db2.gz DEMRIBFLXWCCOF-GFCCVEGCSA-N -1 1 313.365 0.415 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N(CC3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592035878 1167440250 /nfs/dbraw/zinc/44/02/50/1167440250.db2.gz DEMRIBFLXWCCOF-GFCCVEGCSA-N -1 1 313.365 0.415 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCn1cc(CO)nn1 ZINC001592114034 1167458168 /nfs/dbraw/zinc/45/81/68/1167458168.db2.gz MMVQZNBPWAIKNP-UHFFFAOYSA-N -1 1 315.341 0.156 20 0 DCADMM Cc1ccc(C)c(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)c1 ZINC001592141170 1167463622 /nfs/dbraw/zinc/46/36/22/1167463622.db2.gz ZTJBTHBHOZCUHV-UHFFFAOYSA-N -1 1 312.333 0.392 20 0 DCADMM Cc1ccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001592158737 1167465562 /nfs/dbraw/zinc/46/55/62/1167465562.db2.gz QQGWMBLYCIEWKS-UHFFFAOYSA-N -1 1 309.333 0.824 20 0 DCADMM Cc1ccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001592158737 1167465567 /nfs/dbraw/zinc/46/55/67/1167465567.db2.gz QQGWMBLYCIEWKS-UHFFFAOYSA-N -1 1 309.333 0.824 20 0 DCADMM Cc1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001592175320 1167469119 /nfs/dbraw/zinc/46/91/19/1167469119.db2.gz PEDRBSVVRJBSRT-NXEZZACHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001592175320 1167469123 /nfs/dbraw/zinc/46/91/23/1167469123.db2.gz PEDRBSVVRJBSRT-NXEZZACHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(N[C@H](CO)C[C@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001592183612 1167469823 /nfs/dbraw/zinc/46/98/23/1167469823.db2.gz GPNLRWBPHAWPLS-WDEREUQCSA-N -1 1 304.354 0.912 20 0 DCADMM Cc1ccc(N[C@H](CO)C[C@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592183612 1167469831 /nfs/dbraw/zinc/46/98/31/1167469831.db2.gz GPNLRWBPHAWPLS-WDEREUQCSA-N -1 1 304.354 0.912 20 0 DCADMM Cc1ccc(NC(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)cc1 ZINC001592181961 1167470812 /nfs/dbraw/zinc/47/08/12/1167470812.db2.gz HGGZWECARLUVNL-UHFFFAOYSA-N -1 1 310.317 0.976 20 0 DCADMM Cc1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1C(N)=O ZINC001592180186 1167471254 /nfs/dbraw/zinc/47/12/54/1167471254.db2.gz BJBADGXSQIJGEO-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1C(N)=O ZINC001592180186 1167471257 /nfs/dbraw/zinc/47/12/57/1167471257.db2.gz BJBADGXSQIJGEO-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccc(NCCNC(=O)c2cccnc2)nc1-c1nn[n-]n1 ZINC001592185803 1167473432 /nfs/dbraw/zinc/47/34/32/1167473432.db2.gz MVSBHTDYPPDNRH-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1ccc(N[C@H](C)CN2CCCC2=O)c(-c2nnn[n-]2)n1 ZINC001592183917 1167473921 /nfs/dbraw/zinc/47/39/21/1167473921.db2.gz MGVOWSJTKKPTBU-SNVBAGLBSA-N -1 1 301.354 0.993 20 0 DCADMM Cc1ccc(N[C@H](C)CN2CCCC2=O)c(-c2nn[n-]n2)n1 ZINC001592183917 1167473922 /nfs/dbraw/zinc/47/39/22/1167473922.db2.gz MGVOWSJTKKPTBU-SNVBAGLBSA-N -1 1 301.354 0.993 20 0 DCADMM Cc1ccc2nc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)cn2c1 ZINC001592206807 1167476175 /nfs/dbraw/zinc/47/61/75/1167476175.db2.gz PLTXCQOPGWCAHZ-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1ccc2nc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)cn2c1 ZINC001592206807 1167476178 /nfs/dbraw/zinc/47/61/78/1167476178.db2.gz PLTXCQOPGWCAHZ-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1cccnc1[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001592264318 1167479871 /nfs/dbraw/zinc/47/98/71/1167479871.db2.gz OXEMDZHBSQCXBS-VIFPVBQESA-N -1 1 313.325 0.039 20 0 DCADMM Cc1ccn(Cc2nnsc2Cl)c(=O)c1-c1nn[n-]n1 ZINC001592265923 1167480371 /nfs/dbraw/zinc/48/03/71/1167480371.db2.gz PTKZCTVOLCHUMX-UHFFFAOYSA-N -1 1 309.742 0.890 20 0 DCADMM Cc1ccn2ncnc2c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592271309 1167480950 /nfs/dbraw/zinc/48/09/50/1167480950.db2.gz YJYGNJSSXAQQAE-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1ccn2ncnc2c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592271309 1167480959 /nfs/dbraw/zinc/48/09/59/1167480959.db2.gz YJYGNJSSXAQQAE-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1ccn(CN2CCCO[C@@H](C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266668 1167481078 /nfs/dbraw/zinc/48/10/78/1167481078.db2.gz FMLBYNQPKNROMC-NSHDSACASA-N -1 1 304.354 0.405 20 0 DCADMM Cc1ccnc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001592272031 1167482069 /nfs/dbraw/zinc/48/20/69/1167482069.db2.gz ZLACGSYGIFAQNL-UHFFFAOYSA-N -1 1 309.333 0.824 20 0 DCADMM Cc1ccnc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001592272031 1167482071 /nfs/dbraw/zinc/48/20/71/1167482071.db2.gz ZLACGSYGIFAQNL-UHFFFAOYSA-N -1 1 309.333 0.824 20 0 DCADMM Cc1cncc(-c2noc([C@@H](C)n3cnc(-c4nn[n-]n4)n3)n2)c1 ZINC001592295820 1167484831 /nfs/dbraw/zinc/48/48/31/1167484831.db2.gz KMLGRTORWAVSDY-MRVPVSSYSA-N -1 1 324.308 0.821 20 0 DCADMM Cc1conc1CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001592311632 1167486114 /nfs/dbraw/zinc/48/61/14/1167486114.db2.gz DGGNJASOSHYMFZ-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM Cc1csc(CCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC001592313759 1167487626 /nfs/dbraw/zinc/48/76/26/1167487626.db2.gz IYXYUIJHJFBKEN-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1csc(CCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC001592313759 1167487630 /nfs/dbraw/zinc/48/76/30/1167487630.db2.gz IYXYUIJHJFBKEN-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1csc(NCCNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001592320665 1167489291 /nfs/dbraw/zinc/48/92/91/1167489291.db2.gz JTSTXPLOCAVGMP-UHFFFAOYSA-N -1 1 303.355 0.946 20 0 DCADMM Cc1csc(NCCNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001592320665 1167489296 /nfs/dbraw/zinc/48/92/96/1167489296.db2.gz JTSTXPLOCAVGMP-UHFFFAOYSA-N -1 1 303.355 0.946 20 0 DCADMM Cc1[nH]nc(NC(=O)C[C@H]2CCC(=O)[C@@H]2C)c1-c1nn[n-]n1 ZINC001592328712 1167490759 /nfs/dbraw/zinc/49/07/59/1167490759.db2.gz VRTDKEGOLDEWLJ-HTRCEHHLSA-N -1 1 303.326 0.842 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCCC[C@@H]2[C@H](C)CO)n1 ZINC001592341304 1167496085 /nfs/dbraw/zinc/49/60/85/1167496085.db2.gz PIJAWVCUUOAAGK-BXKDBHETSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCCC[C@@H]2[C@H](C)CO)n1 ZINC001592341304 1167496089 /nfs/dbraw/zinc/49/60/89/1167496089.db2.gz PIJAWVCUUOAAGK-BXKDBHETSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc2n(n1)CCN(Cc1csc(-c3nn[n-]n3)c1)C2 ZINC001592405456 1167514473 /nfs/dbraw/zinc/51/44/73/1167514473.db2.gz XICFSPCTUZBKOW-UHFFFAOYSA-N -1 1 302.367 0.844 20 0 DCADMM Cc1nsc(NC(=O)c2cncnc2C)c1-c1nnn[n-]1 ZINC001592421262 1167516437 /nfs/dbraw/zinc/51/64/37/1167516437.db2.gz DTRPKUHCALCSBJ-UHFFFAOYSA-N -1 1 302.323 0.982 20 0 DCADMM Cc1nsc(NC(=O)c2cncnc2C)c1-c1nn[n-]n1 ZINC001592421262 1167516445 /nfs/dbraw/zinc/51/64/45/1167516445.db2.gz DTRPKUHCALCSBJ-UHFFFAOYSA-N -1 1 302.323 0.982 20 0 DCADMM Cc1nccc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)n1 ZINC001592416465 1167516632 /nfs/dbraw/zinc/51/66/32/1167516632.db2.gz AYJPKCFYGLZRBJ-UHFFFAOYSA-N -1 1 309.333 0.664 20 0 DCADMM Cc1ncncc1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592421121 1167518293 /nfs/dbraw/zinc/51/82/93/1167518293.db2.gz UXDXJIXWLAOEMT-UHFFFAOYSA-N -1 1 322.332 0.953 20 0 DCADMM Cc1ncncc1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592421121 1167518299 /nfs/dbraw/zinc/51/82/99/1167518299.db2.gz UXDXJIXWLAOEMT-UHFFFAOYSA-N -1 1 322.332 0.953 20 0 DCADMM Cc1noc([C@@H](C)N(C)C(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001592455630 1167529649 /nfs/dbraw/zinc/52/96/49/1167529649.db2.gz PBFJCOHSQMACCI-ZCFIWIBFSA-N -1 1 303.282 0.984 20 0 DCADMM Cc1noc([C@@H](C)N(C)C(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001592455630 1167529653 /nfs/dbraw/zinc/52/96/53/1167529653.db2.gz PBFJCOHSQMACCI-ZCFIWIBFSA-N -1 1 303.282 0.984 20 0 DCADMM Cc1noc([C@@H]2OCC[C@@H]2Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001592462983 1167531963 /nfs/dbraw/zinc/53/19/63/1167531963.db2.gz WMISNVFJBFIYKE-OIBJUYFYSA-N -1 1 315.297 0.290 20 0 DCADMM Cc1noc([C@@H]2OCC[C@@H]2Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001592462983 1167531968 /nfs/dbraw/zinc/53/19/68/1167531968.db2.gz WMISNVFJBFIYKE-OIBJUYFYSA-N -1 1 315.297 0.290 20 0 DCADMM Cc1ccnn1CC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001592467652 1167533095 /nfs/dbraw/zinc/53/30/95/1167533095.db2.gz APHQEWOGKBEGOC-UHFFFAOYSA-N -1 1 318.366 0.800 20 0 DCADMM Cc1ccnn1CC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001592467652 1167533098 /nfs/dbraw/zinc/53/30/98/1167533098.db2.gz APHQEWOGKBEGOC-UHFFFAOYSA-N -1 1 318.366 0.800 20 0 DCADMM Cc1nsc(N2Cc3nn(C)c(N)c3C2)c1-c1nn[n-]n1 ZINC001592476734 1167535855 /nfs/dbraw/zinc/53/58/55/1167535855.db2.gz BFHTUGXEGVZXFI-UHFFFAOYSA-N -1 1 303.355 0.468 20 0 DCADMM Cc1nsc(NC(=O)NC[C@H]2C[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001592483266 1167537077 /nfs/dbraw/zinc/53/70/77/1167537077.db2.gz GLRXWFZEELFOQL-KNVOCYPGSA-N -1 1 309.355 0.524 20 0 DCADMM Cc1nsc(NC(=O)NC[C@H]2C[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001592483266 1167537085 /nfs/dbraw/zinc/53/70/85/1167537085.db2.gz GLRXWFZEELFOQL-KNVOCYPGSA-N -1 1 309.355 0.524 20 0 DCADMM Cc1nsc(NCc2nnn(C(C)(C)C)n2)c1-c1nn[n-]n1 ZINC001592493512 1167538517 /nfs/dbraw/zinc/53/85/17/1167538517.db2.gz CXGDVKACHTUNJP-UHFFFAOYSA-N -1 1 320.386 0.985 20 0 DCADMM Cc1cc(CCNC(=O)c2cc(-c3nnn[n-]3)oc2C)nn1C ZINC001592500717 1167542237 /nfs/dbraw/zinc/54/22/37/1167542237.db2.gz HBIXPFFQJVGONM-UHFFFAOYSA-N -1 1 315.337 0.783 20 0 DCADMM Cc1cc(CCNC(=O)c2cc(-c3nn[n-]n3)oc2C)nn1C ZINC001592500717 1167542248 /nfs/dbraw/zinc/54/22/48/1167542248.db2.gz HBIXPFFQJVGONM-UHFFFAOYSA-N -1 1 315.337 0.783 20 0 DCADMM Cn1c(=O)[nH]c(NCC[C@H]2CCSC2)c(-c2nn[n-]n2)c1=O ZINC001592545501 1167550299 /nfs/dbraw/zinc/55/02/99/1167550299.db2.gz BIRVHMLMCGYJIW-ZETCQYMHSA-N -1 1 323.382 0.221 20 0 DCADMM Clc1sc(SCCc2nn[nH]n2)nc1-c1nn[n-]n1 ZINC001592544413 1167551740 /nfs/dbraw/zinc/55/17/40/1167551740.db2.gz WUSAVKYKULPKCW-UHFFFAOYSA-N -1 1 315.775 0.825 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2COC3(CCC3)C2)n1 ZINC001592560017 1167561649 /nfs/dbraw/zinc/56/16/49/1167561649.db2.gz SPLLJGLXCDRUJM-QMMMGPOBSA-N -1 1 318.341 0.433 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2COC3(CCC3)C2)n1 ZINC001592560017 1167561653 /nfs/dbraw/zinc/56/16/53/1167561653.db2.gz SPLLJGLXCDRUJM-QMMMGPOBSA-N -1 1 318.341 0.433 20 0 DCADMM Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592577524 1167568235 /nfs/dbraw/zinc/56/82/35/1167568235.db2.gz FMWRNSCBNSBVPW-ZETCQYMHSA-N -1 1 313.325 0.382 20 0 DCADMM Cn1cnc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)n1 ZINC001592587242 1167571751 /nfs/dbraw/zinc/57/17/51/1167571751.db2.gz JMODLAGEISZNKN-UHFFFAOYSA-N -1 1 316.329 0.199 20 0 DCADMM Cn1cnc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)n1 ZINC001592587242 1167571756 /nfs/dbraw/zinc/57/17/56/1167571756.db2.gz JMODLAGEISZNKN-UHFFFAOYSA-N -1 1 316.329 0.199 20 0 DCADMM FC1(c2cn(Cc3ccnc(-c4nnn[n-]4)c3)nn2)COC1 ZINC001592630823 1167585980 /nfs/dbraw/zinc/58/59/80/1167585980.db2.gz NQDHFCURYKSJOG-UHFFFAOYSA-N -1 1 302.273 0.097 20 0 DCADMM FC1(c2cn(Cc3ccnc(-c4nn[n-]n4)c3)nn2)COC1 ZINC001592630823 1167585987 /nfs/dbraw/zinc/58/59/87/1167585987.db2.gz NQDHFCURYKSJOG-UHFFFAOYSA-N -1 1 302.273 0.097 20 0 DCADMM NC(=O)C1(NC(=O)c2csc(-c3nn[n-]n3)c2)CCCC1 ZINC001592717798 1167612168 /nfs/dbraw/zinc/61/21/68/1167612168.db2.gz UYFBEUQHPWOTQN-UHFFFAOYSA-N -1 1 306.351 0.456 20 0 DCADMM NC(=O)CC1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001592726282 1167615500 /nfs/dbraw/zinc/61/55/00/1167615500.db2.gz RDMXJVIZEGOHTA-UHFFFAOYSA-N -1 1 322.275 0.092 20 0 DCADMM NC(=O)CC1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001592726282 1167615502 /nfs/dbraw/zinc/61/55/02/1167615502.db2.gz RDMXJVIZEGOHTA-UHFFFAOYSA-N -1 1 322.275 0.092 20 0 DCADMM NC(=O)C[C@@H]1CCCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001592726314 1167616984 /nfs/dbraw/zinc/61/69/84/1167616984.db2.gz SEBBEBPMAXZYPV-QMMMGPOBSA-N -1 1 320.378 0.656 20 0 DCADMM NC(=O)C[C@@H]1CCCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001592726314 1167616989 /nfs/dbraw/zinc/61/69/89/1167616989.db2.gz SEBBEBPMAXZYPV-QMMMGPOBSA-N -1 1 320.378 0.656 20 0 DCADMM NC(=O)CCc1ccc(Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592728002 1167619168 /nfs/dbraw/zinc/61/91/68/1167619168.db2.gz HEVRMFUGHRFQCH-UHFFFAOYSA-N -1 1 310.321 0.818 20 0 DCADMM NC(=O)CCc1ccc(Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592728002 1167619169 /nfs/dbraw/zinc/61/91/69/1167619169.db2.gz HEVRMFUGHRFQCH-UHFFFAOYSA-N -1 1 310.321 0.818 20 0 DCADMM NC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001592731950 1167620397 /nfs/dbraw/zinc/62/03/97/1167620397.db2.gz PNTSFJXEMDNMHQ-BYPYZUCNSA-N -1 1 314.762 0.224 20 0 DCADMM NC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001592731950 1167620403 /nfs/dbraw/zinc/62/04/03/1167620403.db2.gz PNTSFJXEMDNMHQ-BYPYZUCNSA-N -1 1 314.762 0.224 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc2c1COCC2 ZINC001592752736 1167631579 /nfs/dbraw/zinc/63/15/79/1167631579.db2.gz AUPODWFZRQAEQH-UHFFFAOYSA-N -1 1 311.305 0.407 20 0 DCADMM O=C(CCc1cnccn1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592855745 1167652067 /nfs/dbraw/zinc/65/20/67/1167652067.db2.gz KUBMTIBJPDAJJX-UHFFFAOYSA-N -1 1 316.350 0.362 20 0 DCADMM O=C(CCc1cnccn1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592855745 1167652070 /nfs/dbraw/zinc/65/20/70/1167652070.db2.gz KUBMTIBJPDAJJX-UHFFFAOYSA-N -1 1 316.350 0.362 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)o1)Nc1ccccc1 ZINC001592870769 1167653500 /nfs/dbraw/zinc/65/35/00/1167653500.db2.gz GAOUJQNMMRJMOO-UHFFFAOYSA-N -1 1 312.289 0.828 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)o1)Nc1ccccc1 ZINC001592870769 1167653510 /nfs/dbraw/zinc/65/35/10/1167653510.db2.gz GAOUJQNMMRJMOO-UHFFFAOYSA-N -1 1 312.289 0.828 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)o1)NC1CCCCC1 ZINC001592870967 1167654318 /nfs/dbraw/zinc/65/43/18/1167654318.db2.gz VQGHWHWCOFWZAQ-UHFFFAOYSA-N -1 1 318.337 0.638 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)o1)NC1CCCCC1 ZINC001592870967 1167654320 /nfs/dbraw/zinc/65/43/20/1167654320.db2.gz VQGHWHWCOFWZAQ-UHFFFAOYSA-N -1 1 318.337 0.638 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@H]1CCC[C@@H](O)C1 ZINC001592915021 1167665509 /nfs/dbraw/zinc/66/55/09/1167665509.db2.gz OXECEGREYXCNSU-NWDGAFQWSA-N -1 1 317.349 0.899 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@H]1CCC[C@@H](O)C1 ZINC001592915021 1167665516 /nfs/dbraw/zinc/66/55/16/1167665516.db2.gz OXECEGREYXCNSU-NWDGAFQWSA-N -1 1 317.349 0.899 20 0 DCADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)c1c[nH]c2ncccc12 ZINC001592937409 1167667697 /nfs/dbraw/zinc/66/76/97/1167667697.db2.gz ZBRJOXGZZLFSEN-UHFFFAOYSA-N -1 1 321.300 0.788 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC001592942007 1167668951 /nfs/dbraw/zinc/66/89/51/1167668951.db2.gz ZOQRUPNSZWNDKO-HAQNSBGRSA-N -1 1 324.348 0.521 20 0 DCADMM O=C(Cn1ncc2ccccc21)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592942743 1167669002 /nfs/dbraw/zinc/66/90/02/1167669002.db2.gz WHMCHAAGTLXGDU-UHFFFAOYSA-N -1 1 309.293 0.578 20 0 DCADMM O=C(Cn1ncc2ccccc21)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592942743 1167669006 /nfs/dbraw/zinc/66/90/06/1167669006.db2.gz WHMCHAAGTLXGDU-UHFFFAOYSA-N -1 1 309.293 0.578 20 0 DCADMM O=C(N[C@@H]1CCCn2nccc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001592985812 1167679962 /nfs/dbraw/zinc/67/99/62/1167679962.db2.gz NTMFUKUHSQBVCT-SNVBAGLBSA-N -1 1 310.321 0.723 20 0 DCADMM O=C(N[C@@H]1CCCn2nccc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001592985812 1167679965 /nfs/dbraw/zinc/67/99/65/1167679965.db2.gz NTMFUKUHSQBVCT-SNVBAGLBSA-N -1 1 310.321 0.723 20 0 DCADMM O=C(N[C@H]1CCOC12CCOCC2)c1coc(-c2nnn[n-]2)c1 ZINC001592996806 1167682177 /nfs/dbraw/zinc/68/21/77/1167682177.db2.gz RSQLPCHPHNHNLM-NSHDSACASA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@H]1CCOC12CCOCC2)c1coc(-c2nn[n-]n2)c1 ZINC001592996806 1167682182 /nfs/dbraw/zinc/68/21/82/1167682182.db2.gz RSQLPCHPHNHNLM-NSHDSACASA-N -1 1 319.321 0.528 20 0 DCADMM O=C(NCCC1(O)CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593059598 1167695575 /nfs/dbraw/zinc/69/55/75/1167695575.db2.gz NZCXHCOBEVHJKW-UHFFFAOYSA-N -1 1 323.378 0.590 20 0 DCADMM O=C(NCCC1(O)CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593059598 1167695581 /nfs/dbraw/zinc/69/55/81/1167695581.db2.gz NZCXHCOBEVHJKW-UHFFFAOYSA-N -1 1 323.378 0.590 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)[C@H]1CC[C@H](F)C1 ZINC001593095619 1167707379 /nfs/dbraw/zinc/70/73/79/1167707379.db2.gz IRQBRMQSAODPPX-IUCAKERBSA-N -1 1 320.332 0.323 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)[C@H]1CC[C@H](F)C1 ZINC001593095619 1167707383 /nfs/dbraw/zinc/70/73/83/1167707383.db2.gz IRQBRMQSAODPPX-IUCAKERBSA-N -1 1 320.332 0.323 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NC12CCC(CC1)C2 ZINC001593112330 1167711322 /nfs/dbraw/zinc/71/13/22/1167711322.db2.gz SYRVKOIYQKYPIR-UHFFFAOYSA-N -1 1 317.357 0.090 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593110284 1167712974 /nfs/dbraw/zinc/71/29/74/1167712974.db2.gz VKFSUDVXDKLPFE-OPRDCNLKSA-N -1 1 302.342 0.011 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](O)CC1 ZINC001593137750 1167719937 /nfs/dbraw/zinc/71/99/37/1167719937.db2.gz SEMMZCYSBPCXNE-SECBINFHSA-N -1 1 322.394 0.985 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N(CCO)CC1CC1 ZINC001593137535 1167722137 /nfs/dbraw/zinc/72/21/37/1167722137.db2.gz HVOWBNKMEWAORR-UHFFFAOYSA-N -1 1 322.394 0.842 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccn2nccc12 ZINC001593146507 1167724733 /nfs/dbraw/zinc/72/47/33/1167724733.db2.gz QPXQRQREWUJFNW-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccn2nccc12 ZINC001593146507 1167724746 /nfs/dbraw/zinc/72/47/46/1167724746.db2.gz QPXQRQREWUJFNW-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@]12CCO[C@@H]1CCCC2 ZINC001593197276 1167734220 /nfs/dbraw/zinc/73/42/20/1167734220.db2.gz HZOPNMAVUPOLID-RNCFNFMXSA-N -1 1 303.326 0.878 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@]12CCO[C@@H]1CCCC2 ZINC001593197276 1167734228 /nfs/dbraw/zinc/73/42/28/1167734228.db2.gz HZOPNMAVUPOLID-RNCFNFMXSA-N -1 1 303.326 0.878 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc2[nH]c(=O)[nH]c21 ZINC001593198928 1167734916 /nfs/dbraw/zinc/73/49/16/1167734916.db2.gz BIXUSRIZABKERO-UHFFFAOYSA-N -1 1 311.265 0.424 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc2[nH]c(=O)[nH]c21 ZINC001593198928 1167734921 /nfs/dbraw/zinc/73/49/21/1167734921.db2.gz BIXUSRIZABKERO-UHFFFAOYSA-N -1 1 311.265 0.424 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cc(CO)on1 ZINC001593195461 1167736892 /nfs/dbraw/zinc/73/68/92/1167736892.db2.gz DEKAGPQINMEAFA-UHFFFAOYSA-N -1 1 316.281 0.200 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@@]12CCOC2 ZINC001593202490 1167738197 /nfs/dbraw/zinc/73/81/97/1167738197.db2.gz AZRBWEFKSMICIL-LKFCYVNXSA-N -1 1 301.306 0.937 20 0 DCADMM O=C(Nc1ccn(CCO)n1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593245604 1167743164 /nfs/dbraw/zinc/74/31/64/1167743164.db2.gz XRMDMCOBAQWMQJ-UHFFFAOYSA-N -1 1 315.297 0.095 20 0 DCADMM O=C(Nc1ccn(CCO)n1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593245604 1167743167 /nfs/dbraw/zinc/74/31/67/1167743167.db2.gz XRMDMCOBAQWMQJ-UHFFFAOYSA-N -1 1 315.297 0.095 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)NC1(C(F)F)CC1 ZINC001593243099 1167744302 /nfs/dbraw/zinc/74/43/02/1167744302.db2.gz IOBOQQVJIBNDGY-UHFFFAOYSA-N -1 1 323.263 0.114 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)NC1(C(F)F)CC1 ZINC001593243099 1167744309 /nfs/dbraw/zinc/74/43/09/1167744309.db2.gz IOBOQQVJIBNDGY-UHFFFAOYSA-N -1 1 323.263 0.114 20 0 DCADMM O=C(OC[C@@H]1CCCNC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001593284714 1167757114 /nfs/dbraw/zinc/75/71/14/1167757114.db2.gz ROHYOUJCNKSBCX-QMMMGPOBSA-N -1 1 319.296 0.689 20 0 DCADMM O=C(OC[C@@H]1CCCNC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001593284714 1167757122 /nfs/dbraw/zinc/75/71/22/1167757122.db2.gz ROHYOUJCNKSBCX-QMMMGPOBSA-N -1 1 319.296 0.689 20 0 DCADMM O=C(OCC[C@@H]1CCCNC1=O)c1coc(-c2nnn[n-]2)c1 ZINC001593286996 1167762608 /nfs/dbraw/zinc/76/26/08/1167762608.db2.gz BKVODWJPPFQAHL-QMMMGPOBSA-N -1 1 305.294 0.533 20 0 DCADMM O=C(OCC[C@@H]1CCCNC1=O)c1coc(-c2nn[n-]n2)c1 ZINC001593286996 1167762616 /nfs/dbraw/zinc/76/26/16/1167762616.db2.gz BKVODWJPPFQAHL-QMMMGPOBSA-N -1 1 305.294 0.533 20 0 DCADMM O=C(OCCNC(=O)C1CC1)c1csc(-c2nnn[n-]2)c1 ZINC001593290491 1167765416 /nfs/dbraw/zinc/76/54/16/1167765416.db2.gz SXKQDNXENSYGGA-UHFFFAOYSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OCCNC(=O)C1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593290491 1167765422 /nfs/dbraw/zinc/76/54/22/1167765422.db2.gz SXKQDNXENSYGGA-UHFFFAOYSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCc2c(=O)[nH]cnc2C1 ZINC001593339433 1167782354 /nfs/dbraw/zinc/78/23/54/1167782354.db2.gz RABCOMPJRVSXEC-UHFFFAOYSA-N -1 1 313.277 0.154 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCc2cc[nH]c(=O)c2C1 ZINC001593359156 1167785190 /nfs/dbraw/zinc/78/51/90/1167785190.db2.gz WYSYFGALZNNICV-UHFFFAOYSA-N -1 1 323.316 0.561 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCc2cc[nH]c(=O)c2C1 ZINC001593359156 1167785196 /nfs/dbraw/zinc/78/51/96/1167785196.db2.gz WYSYFGALZNNICV-UHFFFAOYSA-N -1 1 323.316 0.561 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCc2nc[nH]c(=O)c2C1 ZINC001593369980 1167787490 /nfs/dbraw/zinc/78/74/90/1167787490.db2.gz VYFYVAQSVLDZCS-UHFFFAOYSA-N -1 1 313.277 0.154 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCc2nc[nH]c(=O)c2C1 ZINC001593369980 1167787502 /nfs/dbraw/zinc/78/75/02/1167787502.db2.gz VYFYVAQSVLDZCS-UHFFFAOYSA-N -1 1 313.277 0.154 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCN(C(=O)C2CC2)C1 ZINC001593361899 1167788380 /nfs/dbraw/zinc/78/83/80/1167788380.db2.gz ARGLPYXIRDFDEP-UHFFFAOYSA-N -1 1 318.362 0.580 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCN(C(=O)C2CC2)C1 ZINC001593361899 1167788387 /nfs/dbraw/zinc/78/83/87/1167788387.db2.gz ARGLPYXIRDFDEP-UHFFFAOYSA-N -1 1 318.362 0.580 20 0 DCADMM O=C1OCCN1C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001593414562 1167826899 /nfs/dbraw/zinc/82/68/99/1167826899.db2.gz KIAWBRILPVTZTG-UHFFFAOYSA-N -1 1 316.325 0.078 20 0 DCADMM O=C1OCCN1C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001593414562 1167826909 /nfs/dbraw/zinc/82/69/09/1167826909.db2.gz KIAWBRILPVTZTG-UHFFFAOYSA-N -1 1 316.325 0.078 20 0 DCADMM O=Cc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)[nH]1 ZINC001593415256 1167827776 /nfs/dbraw/zinc/82/77/76/1167827776.db2.gz FGILNRDWPYDOHJ-UHFFFAOYSA-N -1 1 312.293 0.860 20 0 DCADMM O=S(=O)(NCc1ccccn1)c1ccsc1-c1nn[n-]n1 ZINC001593443022 1167840532 /nfs/dbraw/zinc/84/05/32/1167840532.db2.gz UJFUWTGSNZDPNK-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC001593442670 1167842586 /nfs/dbraw/zinc/84/25/86/1167842586.db2.gz BPJZNXCXSZUGSS-SSDOTTSWSA-N -1 1 315.380 0.386 20 0 DCADMM O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC001593442670 1167842590 /nfs/dbraw/zinc/84/25/90/1167842590.db2.gz BPJZNXCXSZUGSS-SSDOTTSWSA-N -1 1 315.380 0.386 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CC[C@@H](C2CC2)C1 ZINC001593457591 1167848428 /nfs/dbraw/zinc/84/84/28/1167848428.db2.gz NWCPSWFYDMXPGK-SNVBAGLBSA-N -1 1 320.378 0.682 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cn(-c2ccccc2)nn1 ZINC001593494385 1167875438 /nfs/dbraw/zinc/87/54/38/1167875438.db2.gz SGFXBUDAZLEOLS-UHFFFAOYSA-N -1 1 320.316 0.657 20 0 DCADMM O=c1c(-c2nn[n-]n2)cnc2ncn(CC[C@@H]3C[C@H]3C3CC3)n21 ZINC001593494668 1167877025 /nfs/dbraw/zinc/87/70/25/1167877025.db2.gz OWCJJNUOCPMOGN-ZJUUUORDSA-N -1 1 312.337 0.507 20 0 DCADMM O[C@H](CNc1ccnc(-c2nnn[n-]2)c1)C(F)(F)C(F)(F)F ZINC001593506530 1167885898 /nfs/dbraw/zinc/88/58/98/1167885898.db2.gz LKYKKSLMSPITCS-SSDOTTSWSA-N -1 1 324.213 0.654 20 0 DCADMM O[C@H](CNc1ccnc(-c2nn[n-]n2)c1)C(F)(F)C(F)(F)F ZINC001593506530 1167885904 /nfs/dbraw/zinc/88/59/04/1167885904.db2.gz LKYKKSLMSPITCS-SSDOTTSWSA-N -1 1 324.213 0.654 20 0 DCADMM OC[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001593525363 1167901318 /nfs/dbraw/zinc/90/13/18/1167901318.db2.gz UHZAPICGGGEXEW-RKDXNWHRSA-N -1 1 324.772 0.972 20 0 DCADMM OC[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC001593525363 1167901326 /nfs/dbraw/zinc/90/13/26/1167901326.db2.gz UHZAPICGGGEXEW-RKDXNWHRSA-N -1 1 324.772 0.972 20 0 DCADMM OC[C@@]1(C(F)(F)F)CCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001593526960 1167903139 /nfs/dbraw/zinc/90/31/39/1167903139.db2.gz VTIYPIZBNPYYMP-SNVBAGLBSA-N -1 1 315.259 0.408 20 0 DCADMM OCCCN(Cc1ccccn1)c1ccnc(-c2nn[n-]n2)n1 ZINC001593531099 1167906274 /nfs/dbraw/zinc/90/62/74/1167906274.db2.gz FDOHTDCJCMYLDJ-UHFFFAOYSA-N -1 1 312.337 0.441 20 0 DCADMM Oc1ccc2c(c1)OCCN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001593540074 1167920768 /nfs/dbraw/zinc/92/07/68/1167920768.db2.gz PKZKXQVGKSMXHV-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM Oc1ccc2c(c1)OCCN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001593540074 1167920774 /nfs/dbraw/zinc/92/07/74/1167920774.db2.gz PKZKXQVGKSMXHV-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM c1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593558088 1167935716 /nfs/dbraw/zinc/93/57/16/1167935716.db2.gz IKKMPJHVSFGVHS-FZMZJTMJSA-N -1 1 302.338 0.434 20 0 DCADMM c1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593558088 1167935734 /nfs/dbraw/zinc/93/57/34/1167935734.db2.gz IKKMPJHVSFGVHS-FZMZJTMJSA-N -1 1 302.338 0.434 20 0 DCADMM c1cc(N2CCC(O[C@H]3CCOC3)CC2)nc(-c2nn[n-]n2)n1 ZINC001593559890 1167939700 /nfs/dbraw/zinc/93/97/00/1167939700.db2.gz UUGOAJDRHLAPIA-NSHDSACASA-N -1 1 317.353 0.431 20 0 DCADMM c1cc(NCc2ncc3c(n2)CCOC3)nc(-c2nnn[n-]2)c1 ZINC001593561458 1167942502 /nfs/dbraw/zinc/94/25/02/1167942502.db2.gz RDVZCJIOCQSDRD-UHFFFAOYSA-N -1 1 310.321 0.737 20 0 DCADMM c1cc(NCc2ncc3c(n2)CCOC3)nc(-c2nn[n-]n2)c1 ZINC001593561458 1167942507 /nfs/dbraw/zinc/94/25/07/1167942507.db2.gz RDVZCJIOCQSDRD-UHFFFAOYSA-N -1 1 310.321 0.737 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(NCc2nnc3n2CCCCC3)n1 ZINC001593594866 1167956007 /nfs/dbraw/zinc/95/60/07/1167956007.db2.gz IYSZSFLTLUKMKF-UHFFFAOYSA-N -1 1 312.341 0.587 20 0 DCADMM c1sc(CN2CCN([C@@H]3CCOC3)CC2)nc1-c1nnn[n-]1 ZINC001593596139 1167959097 /nfs/dbraw/zinc/95/90/97/1167959097.db2.gz NFWRXBUCIFBFCM-SNVBAGLBSA-N -1 1 321.410 0.230 20 0 DCADMM c1sc(CN2CCN([C@@H]3CCOC3)CC2)nc1-c1nn[n-]n1 ZINC001593596139 1167959099 /nfs/dbraw/zinc/95/90/99/1167959099.db2.gz NFWRXBUCIFBFCM-SNVBAGLBSA-N -1 1 321.410 0.230 20 0 DCADMM c1sc(CSCCN2CCOCC2)nc1-c1nnn[n-]1 ZINC001593595427 1167959631 /nfs/dbraw/zinc/95/96/31/1167959631.db2.gz RZAGYAQMFDJXFB-UHFFFAOYSA-N -1 1 312.424 0.889 20 0 DCADMM c1sc(CSCCN2CCOCC2)nc1-c1nn[n-]n1 ZINC001593595427 1167959641 /nfs/dbraw/zinc/95/96/41/1167959641.db2.gz RZAGYAQMFDJXFB-UHFFFAOYSA-N -1 1 312.424 0.889 20 0 DCADMM c1sc(CN2CCC[C@@H]2C2OCCO2)nc1-c1nnn[n-]1 ZINC001593596279 1167960021 /nfs/dbraw/zinc/96/00/21/1167960021.db2.gz SHTFCLDOCWQKMB-SECBINFHSA-N -1 1 308.367 0.661 20 0 DCADMM c1sc(CN2CCC[C@@H]2C2OCCO2)nc1-c1nn[n-]n1 ZINC001593596279 1167960024 /nfs/dbraw/zinc/96/00/24/1167960024.db2.gz SHTFCLDOCWQKMB-SECBINFHSA-N -1 1 308.367 0.661 20 0 DCADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CCC2)c2cnn(C)c2n1 ZINC001593856157 1167962280 /nfs/dbraw/zinc/96/22/80/1167962280.db2.gz AYPZSKVPYSMMJI-UHFFFAOYSA-N -1 1 312.337 0.599 20 0 DCADMM CCCN(CCC(=O)N(C)CC(=O)[O-])[C@H](C)C(=O)OCC ZINC001595872401 1167979277 /nfs/dbraw/zinc/97/92/77/1167979277.db2.gz BILCPZCQWZSUIQ-LLVKDONJSA-N -1 1 302.371 0.583 20 0 DCADMM CCn1cc(C(=O)C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)cn1 ZINC001595947989 1167984797 /nfs/dbraw/zinc/98/47/97/1167984797.db2.gz GWGKTENMBNCYBA-JTQLQIEISA-N -1 1 317.353 0.080 20 0 DCADMM COCc1ncc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)s1 ZINC001596081876 1167986402 /nfs/dbraw/zinc/98/64/02/1167986402.db2.gz YRYYUKBQBPXWHI-UHFFFAOYSA-N -1 1 320.334 0.581 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)[C@@H](C(=O)[O-])C1 ZINC001598795138 1168036789 /nfs/dbraw/zinc/03/67/89/1168036789.db2.gz DDNYVNVBVWJVGJ-GXSJLCMTSA-N -1 1 321.333 0.766 20 0 DCADMM Cc1c(CCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cnn1C ZINC001600011316 1168095931 /nfs/dbraw/zinc/09/59/31/1168095931.db2.gz IOEHHAVVVRMVOL-LBPRGKRZSA-N -1 1 322.409 0.669 20 0 DCADMM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001600129483 1168124613 /nfs/dbraw/zinc/12/46/13/1168124613.db2.gz FEFPNLAYTLZXOZ-MNOVXSKESA-N -1 1 308.334 0.567 20 0 DCADMM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001600129487 1168124726 /nfs/dbraw/zinc/12/47/26/1168124726.db2.gz FEFPNLAYTLZXOZ-WDEREUQCSA-N -1 1 308.334 0.567 20 0 DCADMM Cc1cc([C@H](NCC(=O)N2CCNCC2)C(=O)[O-])ccc1F ZINC001600145974 1168127034 /nfs/dbraw/zinc/12/70/34/1168127034.db2.gz CAUNHLVEGLSQLD-AWEZNQCLSA-N -1 1 309.341 0.281 20 0 DCADMM Cc1cc(C)n(CCN2CC(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001600180390 1168131023 /nfs/dbraw/zinc/13/10/23/1168131023.db2.gz PROLZRFGNSHGCG-KGLIPLIRSA-N -1 1 320.393 0.269 20 0 DCADMM Cc1cc(N2CC[C@H](N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)C2=O)n(C)n1 ZINC001600238089 1168143141 /nfs/dbraw/zinc/14/31/41/1168143141.db2.gz JUYOGDIAKNAQOO-UHTWSYAYSA-N -1 1 320.393 0.876 20 0 DCADMM Cc1cc(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)sc1C(=O)[O-] ZINC001600281739 1168155309 /nfs/dbraw/zinc/15/53/09/1168155309.db2.gz MEXSXUPVISXETE-ZETCQYMHSA-N -1 1 320.392 0.973 20 0 DCADMM Cc1cc(S(=O)(=O)N(C)Cc2nnc[nH]2)oc1C(=O)[O-] ZINC001600292736 1168156616 /nfs/dbraw/zinc/15/66/16/1168156616.db2.gz FQRXHBOCDPFSMD-UHFFFAOYSA-N -1 1 300.296 0.225 20 0 DCADMM Cc1ccccc1CN1CCN([C@@H](C)C(=O)NCC(=O)[O-])CC1 ZINC001600580793 1168201912 /nfs/dbraw/zinc/20/19/12/1168201912.db2.gz MRQYOGPKAIMZKB-AWEZNQCLSA-N -1 1 319.405 0.702 20 0 DCADMM Cc1cnn(C)c1CN1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001600635642 1168222762 /nfs/dbraw/zinc/22/27/62/1168222762.db2.gz PMRHGEGFSIKQPG-UHFFFAOYSA-N -1 1 304.354 0.855 20 0 DCADMM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC001600641326 1168225210 /nfs/dbraw/zinc/22/52/10/1168225210.db2.gz XPCMEOBFXAJYJS-LBPRGKRZSA-N -1 1 323.393 0.581 20 0 DCADMM Cc1n[nH]c(=O)c(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1C ZINC001600668383 1168237927 /nfs/dbraw/zinc/23/79/27/1168237927.db2.gz NLEGOWILIGGKFY-VIFPVBQESA-N -1 1 322.365 0.420 20 0 DCADMM 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Cc1ccn(CN(C)CC2=CCSC2)c(=O)c1-c1nn[n-]n1 ZINC001605948995 1170032182 /nfs/dbraw/zinc/03/21/82/1170032182.db2.gz KVELZYCJMIPFGZ-UHFFFAOYSA-N -1 1 318.406 0.899 20 0 DCADMM Cc1ccnc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC001605954553 1170034311 /nfs/dbraw/zinc/03/43/11/1170034311.db2.gz ITPGWVLFEIOKGH-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1ccnc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC001605954553 1170034313 /nfs/dbraw/zinc/03/43/13/1170034313.db2.gz ITPGWVLFEIOKGH-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CN(Cc2n[nH]c(C3CC3)n2)C1 ZINC001605956025 1170034844 /nfs/dbraw/zinc/03/48/44/1170034844.db2.gz FAJTUZRWVZXNJY-MNOVXSKESA-N -1 1 319.365 0.045 20 0 DCADMM Cc1csc(=O)n1CCOC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605997985 1170044298 /nfs/dbraw/zinc/04/42/98/1170044298.db2.gz FGTKUMDQHQNIMS-UHFFFAOYSA-N -1 1 321.318 0.848 20 0 DCADMM Cc1n[nH]c(C)c1CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606009057 1170047585 /nfs/dbraw/zinc/04/75/85/1170047585.db2.gz IVELJUJQRYIOOF-UHFFFAOYSA-N -1 1 318.366 0.522 20 0 DCADMM Cc1n[nH]c(C)c1CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606009057 1170047589 /nfs/dbraw/zinc/04/75/89/1170047589.db2.gz IVELJUJQRYIOOF-UHFFFAOYSA-N -1 1 318.366 0.522 20 0 DCADMM Cc1nc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)sc1C ZINC001606040941 1170061925 /nfs/dbraw/zinc/06/19/25/1170061925.db2.gz ZMACGXGMKJZBIF-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM Cc1nc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)sc1C ZINC001606040941 1170061930 /nfs/dbraw/zinc/06/19/30/1170061930.db2.gz ZMACGXGMKJZBIF-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM Cc1nc(N[C@@H](c2nncn2C)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001606065717 1170068058 /nfs/dbraw/zinc/06/80/58/1170068058.db2.gz ZZXCYYFXFYNERD-LLVKDONJSA-N -1 1 314.357 0.903 20 0 DCADMM Cc1nc(N[C@@H](c2nncn2C)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001606065717 1170068063 /nfs/dbraw/zinc/06/80/63/1170068063.db2.gz ZZXCYYFXFYNERD-LLVKDONJSA-N -1 1 314.357 0.903 20 0 DCADMM Cc1nc2n(n1)C[C@H](NC(=O)c1coc(-c3nnn[n-]3)c1)CC2 ZINC001606083600 1170072076 /nfs/dbraw/zinc/07/20/76/1170072076.db2.gz FTTRWHXBVDEKFE-SECBINFHSA-N -1 1 314.309 0.104 20 0 DCADMM Cc1nc2n(n1)C[C@H](NC(=O)c1coc(-c3nn[n-]n3)c1)CC2 ZINC001606083600 1170072077 /nfs/dbraw/zinc/07/20/77/1170072077.db2.gz FTTRWHXBVDEKFE-SECBINFHSA-N -1 1 314.309 0.104 20 0 DCADMM Cc1nccc(CCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001606093022 1170074527 /nfs/dbraw/zinc/07/45/27/1170074527.db2.gz DAHOULAHWSCWSZ-UHFFFAOYSA-N -1 1 324.348 0.609 20 0 DCADMM Cc1nccc(CCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001606093022 1170074534 /nfs/dbraw/zinc/07/45/34/1170074534.db2.gz DAHOULAHWSCWSZ-UHFFFAOYSA-N -1 1 324.348 0.609 20 0 DCADMM Cc1ncoc1CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606102153 1170076480 /nfs/dbraw/zinc/07/64/80/1170076480.db2.gz DZKWOWAZJHYCLM-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1ncoc1CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606102153 1170076485 /nfs/dbraw/zinc/07/64/85/1170076485.db2.gz DZKWOWAZJHYCLM-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1nnc([C@H](C)OC(=O)c2cccc(-c3nnn[n-]3)n2)o1 ZINC001606119938 1170083957 /nfs/dbraw/zinc/08/39/57/1170083957.db2.gz SXBDPANFQRIPOF-LURJTMIESA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nnc([C@H](C)OC(=O)c2cccc(-c3nn[n-]n3)n2)o1 ZINC001606119938 1170083962 /nfs/dbraw/zinc/08/39/62/1170083962.db2.gz SXBDPANFQRIPOF-LURJTMIESA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nsc(NC[C@H](CO)[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001606156578 1170096070 /nfs/dbraw/zinc/09/60/70/1170096070.db2.gz HXTPFYBEPKJNFQ-DTWKUNHWSA-N -1 1 310.383 0.689 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cnn(CCF)c1 ZINC001606168138 1170100621 /nfs/dbraw/zinc/10/06/21/1170100621.db2.gz BHQYKINIDGOJRZ-UHFFFAOYSA-N -1 1 319.300 0.864 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cnn(CCF)c1 ZINC001606168138 1170100624 /nfs/dbraw/zinc/10/06/24/1170100624.db2.gz BHQYKINIDGOJRZ-UHFFFAOYSA-N -1 1 319.300 0.864 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC1COC1 ZINC001606172001 1170103102 /nfs/dbraw/zinc/10/31/02/1170103102.db2.gz VNFGGRAHRCUSQI-UHFFFAOYSA-N -1 1 314.305 0.687 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC1COC1 ZINC001606172001 1170103109 /nfs/dbraw/zinc/10/31/09/1170103109.db2.gz VNFGGRAHRCUSQI-UHFFFAOYSA-N -1 1 314.305 0.687 20 0 DCADMM CN(Cc1nnc[nH]1)C(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001606178326 1170104398 /nfs/dbraw/zinc/10/43/98/1170104398.db2.gz CCQRASIKIPZFDW-UHFFFAOYSA-N -1 1 321.268 0.239 20 0 DCADMM CN1C[C@@H](O)C[C@@]1(C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001606204409 1170111522 /nfs/dbraw/zinc/11/15/22/1170111522.db2.gz GAWKUKDPAYAZPL-BBRMVZONSA-N -1 1 304.346 0.682 20 0 DCADMM CN1CCN(C(=O)[C@]2(O)CCCC(C)(C)C2)C[C@H](C(=O)[O-])C1 ZINC001606229415 1170126650 /nfs/dbraw/zinc/12/66/50/1170126650.db2.gz XTLAISFTQLEKQY-WBMJQRKESA-N -1 1 312.410 0.793 20 0 DCADMM CN1CCN(C(=O)C(F)(F)C2(O)CCC2)C[C@@H](C(=O)[O-])C1 ZINC001606228301 1170127334 /nfs/dbraw/zinc/12/73/34/1170127334.db2.gz FTVIDGCBFLHZEJ-VIFPVBQESA-N -1 1 306.309 0.012 20 0 DCADMM CN1CCN(C(=O)c2cnc(Cl)c(F)c2)C[C@H](C(=O)[O-])C1 ZINC001606236014 1170130861 /nfs/dbraw/zinc/13/08/61/1170130861.db2.gz QPQBNIQAYXFEMD-SECBINFHSA-N -1 1 315.732 0.963 20 0 DCADMM CN1CCN(C)CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001606238295 1170131035 /nfs/dbraw/zinc/13/10/35/1170131035.db2.gz UFLDBKYTTFLZKR-UHFFFAOYSA-N -1 1 321.381 0.491 20 0 DCADMM CN1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C(C)(C)C1 ZINC001606239468 1170132923 /nfs/dbraw/zinc/13/29/23/1170132923.db2.gz QZAOOIQHHGIWHL-UHFFFAOYSA-N -1 1 306.366 0.744 20 0 DCADMM CN1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)[C@@H](CO)C1 ZINC001606242690 1170133880 /nfs/dbraw/zinc/13/38/80/1170133880.db2.gz QJGQUYOVTYMMRE-IJVDHGTGSA-N -1 1 320.389 0.772 20 0 DCADMM CN1CCN(c2ccccc2CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001606247229 1170135139 /nfs/dbraw/zinc/13/51/39/1170135139.db2.gz JXPPFGNPCJMGGJ-UONOGXRCSA-N -1 1 317.389 0.775 20 0 DCADMM Cn1nncc1Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001606285980 1170149006 /nfs/dbraw/zinc/14/90/06/1170149006.db2.gz DQFPYNAKHSCIEW-UHFFFAOYSA-N -1 1 314.334 0.420 20 0 DCADMM FC(F)(F)[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001606287442 1170149613 /nfs/dbraw/zinc/14/96/13/1170149613.db2.gz MMUGYWZPQIVVKX-ZETCQYMHSA-N -1 1 301.232 0.424 20 0 DCADMM FC(F)(F)[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001606287442 1170149617 /nfs/dbraw/zinc/14/96/17/1170149617.db2.gz MMUGYWZPQIVVKX-ZETCQYMHSA-N -1 1 301.232 0.424 20 0 DCADMM Cn1nnc2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc21 ZINC001606286587 1170149673 /nfs/dbraw/zinc/14/96/73/1170149673.db2.gz PXELDCOPLXJJMW-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1nnc2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc21 ZINC001606286587 1170149677 /nfs/dbraw/zinc/14/96/77/1170149677.db2.gz PXELDCOPLXJJMW-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM FC(F)(F)[C@@H]1CCC[C@@H](Cn2cnc(-c3nn[n-]n3)n2)O1 ZINC001606288132 1170151100 /nfs/dbraw/zinc/15/11/00/1170151100.db2.gz IYMBWTAQGALRLC-BQBZGAKWSA-N -1 1 303.248 0.958 20 0 DCADMM COC(=O)[C@H]1C[C@@H](O)CN(CCOc2ccccc2C(=O)[O-])C1 ZINC001606379037 1170175613 /nfs/dbraw/zinc/17/56/13/1170175613.db2.gz ZMEYGWGXHLWASR-NWDGAFQWSA-N -1 1 323.345 0.619 20 0 DCADMM COC(=O)[C@@H]1C[C@@H](O)CN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001606378851 1170176187 /nfs/dbraw/zinc/17/61/87/1170176187.db2.gz XFCURIJYYYCIQA-CHWSQXEVSA-N -1 1 323.345 0.506 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2C)C[C@H]1C(=O)[O-] ZINC001606414967 1170191187 /nfs/dbraw/zinc/19/11/87/1170191187.db2.gz APFPTMATQHYVIL-UPJWGTAASA-N -1 1 320.345 0.327 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC001606444887 1170205205 /nfs/dbraw/zinc/20/52/05/1170205205.db2.gz FWNIZGCEBXIMRX-JVHMLUBASA-N -1 1 315.337 0.681 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc2[nH]ccc2s1 ZINC001606446210 1170206058 /nfs/dbraw/zinc/20/60/58/1170206058.db2.gz IGOBZDWTKYWKBM-UHFFFAOYSA-N -1 1 300.307 0.877 20 0 DCADMM O=C(C1CC1)N1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001606467047 1170215315 /nfs/dbraw/zinc/21/53/15/1170215315.db2.gz HFRCNWUOQOESFO-UHFFFAOYSA-N -1 1 319.394 0.377 20 0 DCADMM O=C(C1CC1)N1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001606467047 1170215318 /nfs/dbraw/zinc/21/53/18/1170215318.db2.gz HFRCNWUOQOESFO-UHFFFAOYSA-N -1 1 319.394 0.377 20 0 DCADMM COC(=O)C[C@@H](OC(=O)c1ccc(-c2nnc[nH]2)cc1)C(=O)[O-] ZINC001606475662 1170217085 /nfs/dbraw/zinc/21/70/85/1170217085.db2.gz HRBTVYMNCXICAY-SNVBAGLBSA-N -1 1 319.273 0.645 20 0 DCADMM O=C(CCc1ncccn1)OCc1cccnc1-c1nnn[n-]1 ZINC001606535467 1170229116 /nfs/dbraw/zinc/22/91/16/1170229116.db2.gz OSRISVKWICJORR-UHFFFAOYSA-N -1 1 311.305 0.728 20 0 DCADMM O=C(CCc1ncccn1)OCc1cccnc1-c1nn[n-]n1 ZINC001606535467 1170229118 /nfs/dbraw/zinc/22/91/18/1170229118.db2.gz OSRISVKWICJORR-UHFFFAOYSA-N -1 1 311.305 0.728 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](CCO)C1 ZINC001606594266 1170238395 /nfs/dbraw/zinc/23/83/95/1170238395.db2.gz GUFPCYAHTYKRDL-NSHDSACASA-N -1 1 316.365 0.425 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](CCO)C1 ZINC001606594266 1170238400 /nfs/dbraw/zinc/23/84/00/1170238400.db2.gz GUFPCYAHTYKRDL-NSHDSACASA-N -1 1 316.365 0.425 20 0 DCADMM O=C(Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O)[C@@H]1Cc2ccccc21 ZINC001606615283 1170243579 /nfs/dbraw/zinc/24/35/79/1170243579.db2.gz NABBEHHLFCGNTQ-SNVBAGLBSA-N -1 1 324.300 0.038 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1CCCCCC1 ZINC001606620776 1170244983 /nfs/dbraw/zinc/24/49/83/1170244983.db2.gz PQDVLMAUQALQOC-UHFFFAOYSA-N -1 1 304.358 0.545 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)C1CCC(F)(F)CC1 ZINC001606620182 1170245749 /nfs/dbraw/zinc/24/57/49/1170245749.db2.gz BIXBBEFVSBGZEI-UHFFFAOYSA-N -1 1 324.291 0.818 20 0 DCADMM COC(=O)c1n[nH]c2c1C[N@H+]([C@@H](C(=O)[O-])C1(OC)CCC1)CC2 ZINC001606633682 1170247633 /nfs/dbraw/zinc/24/76/33/1170247633.db2.gz LPDIWDJFPITKDC-LBPRGKRZSA-N -1 1 323.349 0.577 20 0 DCADMM COC(=O)c1n[nH]c2c1CN([C@@H](C(=O)[O-])C1(OC)CCC1)CC2 ZINC001606633682 1170247638 /nfs/dbraw/zinc/24/76/38/1170247638.db2.gz LPDIWDJFPITKDC-LBPRGKRZSA-N -1 1 323.349 0.577 20 0 DCADMM CO[C@H](CN(C)[C@H](COC1CCC1)C(=O)[O-])[C@H]1CCOC1 ZINC001606668554 1170256956 /nfs/dbraw/zinc/25/69/56/1170256956.db2.gz MOCZJQMWIVDIAO-IACUBPJLSA-N -1 1 301.383 0.992 20 0 DCADMM O=C(NCC=CCNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001606752633 1170279694 /nfs/dbraw/zinc/27/96/94/1170279694.db2.gz LQAKOMGNZKTCEI-OWOJBTEDSA-N -1 1 300.326 0.151 20 0 DCADMM O=C(NCC=CCNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001606752633 1170279701 /nfs/dbraw/zinc/27/97/01/1170279701.db2.gz LQAKOMGNZKTCEI-OWOJBTEDSA-N -1 1 300.326 0.151 20 0 DCADMM O=C(NCC[C@H](O)C1CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606752383 1170280015 /nfs/dbraw/zinc/28/00/15/1170280015.db2.gz HVNUSHRWBUFAEO-NSHDSACASA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCC[C@H](O)C1CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606752383 1170280021 /nfs/dbraw/zinc/28/00/21/1170280021.db2.gz HVNUSHRWBUFAEO-NSHDSACASA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCCCO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606775611 1170285627 /nfs/dbraw/zinc/28/56/27/1170285627.db2.gz ZZFCKCRBULHJIP-UHFFFAOYSA-N -1 1 303.735 0.481 20 0 DCADMM O=C(NCCCn1cncn1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606775834 1170286352 /nfs/dbraw/zinc/28/63/52/1170286352.db2.gz JVAMVXOVLIVTQL-UHFFFAOYSA-N -1 1 316.300 0.417 20 0 DCADMM O=C(NCCCn1cncn1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606775834 1170286358 /nfs/dbraw/zinc/28/63/58/1170286358.db2.gz JVAMVXOVLIVTQL-UHFFFAOYSA-N -1 1 316.300 0.417 20 0 DCADMM O=C(NCCO[C@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001606786610 1170289625 /nfs/dbraw/zinc/28/96/25/1170289625.db2.gz CZPBJFXGJWDVBZ-QMMMGPOBSA-N -1 1 309.351 0.464 20 0 DCADMM O=C(NCCO[C@H]1CCOC1)c1ccsc1-c1nn[n-]n1 ZINC001606786610 1170289629 /nfs/dbraw/zinc/28/96/29/1170289629.db2.gz CZPBJFXGJWDVBZ-QMMMGPOBSA-N -1 1 309.351 0.464 20 0 DCADMM COC[C@H](C)OC[C@H](O)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001606798727 1170292869 /nfs/dbraw/zinc/29/28/69/1170292869.db2.gz SJWQMYYPBPNGGH-LPEHRKFASA-N -1 1 318.395 0.904 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@H](F)c1ccccc1 ZINC001606802701 1170294866 /nfs/dbraw/zinc/29/48/66/1170294866.db2.gz MYUUSVQHMKSJOK-SNVBAGLBSA-N -1 1 316.300 0.285 20 0 DCADMM COC[C@]1(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)CCOC1 ZINC001606822775 1170302184 /nfs/dbraw/zinc/30/21/84/1170302184.db2.gz ZFTYMKGMKNHVQU-IUODEOHRSA-N -1 1 314.382 0.047 20 0 DCADMM COC[C@]1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CNCCO1 ZINC001606823414 1170303493 /nfs/dbraw/zinc/30/34/93/1170303493.db2.gz BXQFIGOAMJSRSP-AWEZNQCLSA-N -1 1 312.297 0.467 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](CO)C1 ZINC001606830944 1170306337 /nfs/dbraw/zinc/30/63/37/1170306337.db2.gz OZKLYNBDYJOUCG-SECBINFHSA-N -1 1 322.394 0.842 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1c[nH]nc1-c1ccccn1 ZINC001606893381 1170324085 /nfs/dbraw/zinc/32/40/85/1170324085.db2.gz PBXNJUZWBCKTRW-UHFFFAOYSA-N -1 1 322.292 0.627 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1-n1ccnn1 ZINC001606893528 1170324807 /nfs/dbraw/zinc/32/48/07/1170324807.db2.gz RMGRVVHMUKJBDD-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1-n1ccnn1 ZINC001606893528 1170324810 /nfs/dbraw/zinc/32/48/10/1170324810.db2.gz RMGRVVHMUKJBDD-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM COCCS(=O)(=O)CCCN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001606920141 1170329992 /nfs/dbraw/zinc/32/99/92/1170329992.db2.gz XQWQKLBDZGHPJV-NWDGAFQWSA-N -1 1 307.412 0.480 20 0 DCADMM O=C(Nc1ccc(=O)[nH]n1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606925878 1170332231 /nfs/dbraw/zinc/33/22/31/1170332231.db2.gz OOQAMDNDLIQOFS-UHFFFAOYSA-N -1 1 318.684 0.663 20 0 DCADMM O=C([O-])C[NH+]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001606958449 1170337665 /nfs/dbraw/zinc/33/76/65/1170337665.db2.gz UZWNCDPFPYAKET-UHFFFAOYSA-N -1 1 323.744 0.122 20 0 DCADMM O=C([O-])C[NH+]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC001606958449 1170337671 /nfs/dbraw/zinc/33/76/71/1170337671.db2.gz UZWNCDPFPYAKET-UHFFFAOYSA-N -1 1 323.744 0.122 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001607021824 1170358809 /nfs/dbraw/zinc/35/88/09/1170358809.db2.gz DNCKFCCUJQOOSL-ZWNOBZJWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001607021824 1170358813 /nfs/dbraw/zinc/35/88/13/1170358813.db2.gz DNCKFCCUJQOOSL-ZWNOBZJWSA-N -1 1 314.349 0.903 20 0 DCADMM COc1c(NC(=O)NCCc2nc[nH]n2)cccc1C(=O)[O-] ZINC001607034502 1170360237 /nfs/dbraw/zinc/36/02/37/1170360237.db2.gz FKYQMRSMSWNWRJ-UHFFFAOYSA-N -1 1 305.294 0.876 20 0 DCADMM O=S(=O)(NCC1=CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001607060878 1170374942 /nfs/dbraw/zinc/37/49/42/1170374942.db2.gz ARZAALGWKVRJIN-UHFFFAOYSA-N -1 1 306.351 0.650 20 0 DCADMM O=S(=O)(NCC1=CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001607060878 1170374948 /nfs/dbraw/zinc/37/49/48/1170374948.db2.gz ARZAALGWKVRJIN-UHFFFAOYSA-N -1 1 306.351 0.650 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@@H]1CCCC2(CCC2)O1 ZINC001607088632 1170385718 /nfs/dbraw/zinc/38/57/18/1170385718.db2.gz PZADIJZZTBATNC-VIFPVBQESA-N -1 1 318.337 0.621 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@H]1CCC2(CCC2)CO1 ZINC001607088833 1170386591 /nfs/dbraw/zinc/38/65/91/1170386591.db2.gz RTDRZFRWCHOYNU-SECBINFHSA-N -1 1 318.337 0.478 20 0 DCADMM O=C1N=NC(C2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)O1 ZINC001607088067 1170387798 /nfs/dbraw/zinc/38/77/98/1170387798.db2.gz BBWSKXWUKYENIR-UHFFFAOYSA-N -1 1 314.309 0.734 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1C[C@@H]1CCC2(CCOCC2)O1 ZINC001607091965 1170388226 /nfs/dbraw/zinc/38/82/26/1170388226.db2.gz OBVOJXUPMZZSOC-NSHDSACASA-N -1 1 317.349 0.757 20 0 DCADMM O[C@@H]1C[C@H]([C@@H]2CCCOC2)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001607102619 1170396172 /nfs/dbraw/zinc/39/61/72/1170396172.db2.gz XUIFRDKHJOEZAY-CKYFFXLPSA-N -1 1 317.353 0.023 20 0 DCADMM O[C@@H]1C[C@H]([C@@H]2CCCOC2)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001607102619 1170396175 /nfs/dbraw/zinc/39/61/75/1170396175.db2.gz XUIFRDKHJOEZAY-CKYFFXLPSA-N -1 1 317.353 0.023 20 0 DCADMM OC[C@@H](Cc1cncs1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001607103087 1170397372 /nfs/dbraw/zinc/39/73/72/1170397372.db2.gz MVCCGEFWWWQVRT-MRVPVSSYSA-N -1 1 303.351 0.734 20 0 DCADMM 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/nfs/dbraw/zinc/89/47/58/1170894758.db2.gz QGRTUKCXTQXVQB-SSDOTTSWSA-N -1 1 317.313 0.749 20 0 DCADMM CN(c1cccnc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609282148 1170909175 /nfs/dbraw/zinc/90/91/75/1170909175.db2.gz IAOOIQKQZMMLIV-UHFFFAOYSA-N -1 1 306.307 0.680 20 0 DCADMM CN1C(=O)COc2cc(Nc3cnc(-c4nnn[n-]4)cn3)ccc21 ZINC001609282910 1170910466 /nfs/dbraw/zinc/91/04/66/1170910466.db2.gz ZXFJAILYHUSJDO-UHFFFAOYSA-N -1 1 324.304 0.756 20 0 DCADMM CN1C(=O)COc2cc(Nc3cnc(-c4nn[n-]n4)cn3)ccc21 ZINC001609282910 1170910469 /nfs/dbraw/zinc/91/04/69/1170910469.db2.gz ZXFJAILYHUSJDO-UHFFFAOYSA-N -1 1 324.304 0.756 20 0 DCADMM CNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609286861 1170912875 /nfs/dbraw/zinc/91/28/75/1170912875.db2.gz VEJUICHWRLZJCI-QMMMGPOBSA-N -1 1 304.310 0.058 20 0 DCADMM CNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609286861 1170912883 /nfs/dbraw/zinc/91/28/83/1170912883.db2.gz VEJUICHWRLZJCI-QMMMGPOBSA-N -1 1 304.310 0.058 20 0 DCADMM COC(=O)[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001609294404 1170918264 /nfs/dbraw/zinc/91/82/64/1170918264.db2.gz JRTKSPHBZWHCID-ZDUSSCGKSA-N -1 1 303.326 0.436 20 0 DCADMM COC(=O)[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001609294404 1170918266 /nfs/dbraw/zinc/91/82/66/1170918266.db2.gz JRTKSPHBZWHCID-ZDUSSCGKSA-N -1 1 303.326 0.436 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001609295702 1170919504 /nfs/dbraw/zinc/91/95/04/1170919504.db2.gz LURAIFJMRLCNFC-AUTRQRHGSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001609295702 1170919510 /nfs/dbraw/zinc/91/95/10/1170919510.db2.gz LURAIFJMRLCNFC-AUTRQRHGSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001609296327 1170920327 /nfs/dbraw/zinc/92/03/27/1170920327.db2.gz FMPZJHZOCQFROY-APPZFPTMSA-N -1 1 321.362 0.952 20 0 DCADMM COC(=O)C1=C(C)O[C@@H](COc2cnc(-c3nn[n-]n3)nc2)C1 ZINC001609295806 1170920613 /nfs/dbraw/zinc/92/06/13/1170920613.db2.gz OSEMWZJXTMTSJH-MRVPVSSYSA-N -1 1 318.293 0.271 20 0 DCADMM COC(=O)C[C@H]1CCCN1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609297922 1170921542 /nfs/dbraw/zinc/92/15/42/1170921542.db2.gz DCWXZIZEFNEYII-SNVBAGLBSA-N -1 1 318.337 0.013 20 0 DCADMM COC(=O)c1coc(C(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC001609306506 1170925558 /nfs/dbraw/zinc/92/55/58/1170925558.db2.gz OGOPHONAJFOGMC-UHFFFAOYSA-N -1 1 302.250 0.326 20 0 DCADMM COC(=O)c1coc(C(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC001609306506 1170925562 /nfs/dbraw/zinc/92/55/62/1170925562.db2.gz OGOPHONAJFOGMC-UHFFFAOYSA-N -1 1 302.250 0.326 20 0 DCADMM CO[C@@H]1CCN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)C[C@H]1C ZINC001609314890 1170929938 /nfs/dbraw/zinc/92/99/38/1170929938.db2.gz WKYGHKOXFRHJJP-VXGBXAGGSA-N -1 1 318.381 0.651 20 0 DCADMM COCC(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1ccccc1 ZINC001609316058 1170932334 /nfs/dbraw/zinc/93/23/34/1170932334.db2.gz CBWRLUPEFIIUNY-UHFFFAOYSA-N -1 1 313.321 0.946 20 0 DCADMM COCC(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1ccccc1 ZINC001609316058 1170932341 /nfs/dbraw/zinc/93/23/41/1170932341.db2.gz CBWRLUPEFIIUNY-UHFFFAOYSA-N -1 1 313.321 0.946 20 0 DCADMM COCC1(O)CN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001609319215 1170932525 /nfs/dbraw/zinc/93/25/25/1170932525.db2.gz KWSIMERLVMCBEA-UHFFFAOYSA-N -1 1 302.747 0.174 20 0 DCADMM COCC1(O)CN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001609319215 1170932532 /nfs/dbraw/zinc/93/25/32/1170932532.db2.gz KWSIMERLVMCBEA-UHFFFAOYSA-N -1 1 302.747 0.174 20 0 DCADMM COc1ccc2[nH+]cc(-c3nn[nH]n3)c(N(C)CCO)c2c1 ZINC001609360498 1170950580 /nfs/dbraw/zinc/95/05/80/1170950580.db2.gz YTTFTDGUAFBLBU-UHFFFAOYSA-N -1 1 300.322 0.852 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCOCC(C)C)nn1C ZINC001609378924 1170958134 /nfs/dbraw/zinc/95/81/34/1170958134.db2.gz LBDRLBPBWHOFND-UHFFFAOYSA-N -1 1 307.358 0.910 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCOCC(C)C)nn1C ZINC001609378924 1170958141 /nfs/dbraw/zinc/95/81/41/1170958141.db2.gz LBDRLBPBWHOFND-UHFFFAOYSA-N -1 1 307.358 0.910 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1 ZINC001609391295 1170963452 /nfs/dbraw/zinc/96/34/52/1170963452.db2.gz CLURORODSRGQID-ONGXEEELSA-N -1 1 314.353 0.213 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1 ZINC001609391295 1170963459 /nfs/dbraw/zinc/96/34/59/1170963459.db2.gz CLURORODSRGQID-ONGXEEELSA-N -1 1 314.353 0.213 20 0 DCADMM Cc1ccc(N2CCO[C@@H](C(=O)C3CC3)C2)nc1-c1nnn[n-]1 ZINC001609425578 1170974577 /nfs/dbraw/zinc/97/45/77/1170974577.db2.gz XIMWCKINYXHUPQ-LLVKDONJSA-N -1 1 314.349 0.754 20 0 DCADMM Cc1ccc(N2CCO[C@@H](C(=O)C3CC3)C2)nc1-c1nn[n-]n1 ZINC001609425578 1170974583 /nfs/dbraw/zinc/97/45/83/1170974583.db2.gz XIMWCKINYXHUPQ-LLVKDONJSA-N -1 1 314.349 0.754 20 0 DCADMM Cc1cccc(-c2noc(Cn3cnc(-c4nn[n-]n4)n3)n2)c1 ZINC001609429779 1170975319 /nfs/dbraw/zinc/97/53/19/1170975319.db2.gz BPGKPTKYFSSWOH-UHFFFAOYSA-N -1 1 309.293 0.865 20 0 DCADMM Cc1ccccc1CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609436439 1170977453 /nfs/dbraw/zinc/97/74/53/1170977453.db2.gz POTYYABOHUAEOL-JTQLQIEISA-N -1 1 312.337 0.644 20 0 DCADMM Cc1cnn(CC(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)c1 ZINC001609441959 1170978282 /nfs/dbraw/zinc/97/82/82/1170978282.db2.gz WSEDKNCZJPDDQL-UHFFFAOYSA-N -1 1 301.314 0.052 20 0 DCADMM Cc1cnn(CC(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)c1 ZINC001609441959 1170978283 /nfs/dbraw/zinc/97/82/83/1170978283.db2.gz WSEDKNCZJPDDQL-UHFFFAOYSA-N -1 1 301.314 0.052 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2Cc3ccccc3O2)c1-c1nn[n-]n1 ZINC001609444621 1170978927 /nfs/dbraw/zinc/97/89/27/1170978927.db2.gz LBTIHICMXMIYSD-SNVBAGLBSA-N -1 1 311.305 0.840 20 0 DCADMM Cc1noc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001609463316 1170988480 /nfs/dbraw/zinc/98/84/80/1170988480.db2.gz JFKVZQZKSTVGMT-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(F)c2F)c1=O ZINC001609477473 1170991754 /nfs/dbraw/zinc/99/17/54/1170991754.db2.gz ZNXHJHIOKVXMFF-UHFFFAOYSA-N -1 1 320.259 0.054 20 0 DCADMM Cn1c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)nc2cccnc21 ZINC001609476696 1170992282 /nfs/dbraw/zinc/99/22/82/1170992282.db2.gz RTNZTSOILCYZGZ-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)nc2cccnc21 ZINC001609476696 1170992284 /nfs/dbraw/zinc/99/22/84/1170992284.db2.gz RTNZTSOILCYZGZ-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1nc2c(c1NC(=O)c1cccc(-c3nnn[n-]3)n1)CCC2 ZINC001609482063 1170994187 /nfs/dbraw/zinc/99/41/87/1170994187.db2.gz FVLDLYKHCWDVCB-UHFFFAOYSA-N -1 1 310.321 0.736 20 0 DCADMM Cn1nc2c(c1NC(=O)c1cccc(-c3nn[n-]n3)n1)CCC2 ZINC001609482063 1170994189 /nfs/dbraw/zinc/99/41/89/1170994189.db2.gz FVLDLYKHCWDVCB-UHFFFAOYSA-N -1 1 310.321 0.736 20 0 DCADMM Cn1nccc1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001609483361 1170995170 /nfs/dbraw/zinc/99/51/70/1170995170.db2.gz YIRUDGOYHLATCK-UHFFFAOYSA-N -1 1 311.349 0.689 20 0 DCADMM NC(=O)[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001609501387 1170999435 /nfs/dbraw/zinc/99/94/35/1170999435.db2.gz BIDSCECKGHILJI-NSHDSACASA-N -1 1 315.362 0.639 20 0 DCADMM NC(=O)[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001609501387 1170999436 /nfs/dbraw/zinc/99/94/36/1170999436.db2.gz BIDSCECKGHILJI-NSHDSACASA-N -1 1 315.362 0.639 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)o1)Nc1cccnc1 ZINC001609527243 1171010346 /nfs/dbraw/zinc/01/03/46/1171010346.db2.gz XEJGYYZWBHQZFF-UHFFFAOYSA-N -1 1 313.277 0.223 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)o1)Nc1cccnc1 ZINC001609527243 1171010349 /nfs/dbraw/zinc/01/03/49/1171010349.db2.gz XEJGYYZWBHQZFF-UHFFFAOYSA-N -1 1 313.277 0.223 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001609538119 1171012085 /nfs/dbraw/zinc/01/20/85/1171012085.db2.gz UZNHUYRYWWRBHG-VXGBXAGGSA-N -1 1 324.348 0.378 20 0 DCADMM O=C(NCCNc1ccccn1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609549196 1171018769 /nfs/dbraw/zinc/01/87/69/1171018769.db2.gz NFDBKFPQCUJVSQ-UHFFFAOYSA-N -1 1 310.321 0.499 20 0 DCADMM O=C(NCCCNc1ccccn1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609548023 1171018827 /nfs/dbraw/zinc/01/88/27/1171018827.db2.gz QGEURTBBVIAFRR-UHFFFAOYSA-N -1 1 324.348 0.889 20 0 DCADMM O=C(NCCc1csc(=O)[nH]1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609551697 1171020272 /nfs/dbraw/zinc/02/02/72/1171020272.db2.gz XBVSAWGTGVULBT-UHFFFAOYSA-N -1 1 317.334 0.396 20 0 DCADMM O=C(NCCc1csc(=O)[nH]1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609551697 1171020277 /nfs/dbraw/zinc/02/02/77/1171020277.db2.gz XBVSAWGTGVULBT-UHFFFAOYSA-N -1 1 317.334 0.396 20 0 DCADMM O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(-c2nn[n-]n2)o1 ZINC001609565721 1171023101 /nfs/dbraw/zinc/02/31/01/1171023101.db2.gz BNJXYUDBZIUBRJ-UHFFFAOYSA-N -1 1 310.273 0.955 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@](O)(C2CC2)C1 ZINC001609583213 1171028467 /nfs/dbraw/zinc/02/84/67/1171028467.db2.gz RSUZBLWHQPJIGZ-AWEZNQCLSA-N -1 1 300.322 0.249 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@](O)(C2CC2)C1 ZINC001609583213 1171028474 /nfs/dbraw/zinc/02/84/74/1171028474.db2.gz RSUZBLWHQPJIGZ-AWEZNQCLSA-N -1 1 300.322 0.249 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001609581838 1171028956 /nfs/dbraw/zinc/02/89/56/1171028956.db2.gz KXSRRUIAUHHDNW-JOYOIKCWSA-N -1 1 319.321 0.480 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001609581838 1171028962 /nfs/dbraw/zinc/02/89/62/1171028962.db2.gz KXSRRUIAUHHDNW-JOYOIKCWSA-N -1 1 319.321 0.480 20 0 DCADMM OC[C@@]1(c2ccccc2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001609610103 1171046119 /nfs/dbraw/zinc/04/61/19/1171046119.db2.gz WPNBJIQMXYUMFA-MRXNPFEDSA-N -1 1 323.360 0.797 20 0 DCADMM OC[C@@]1(c2ccccc2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001609610103 1171046126 /nfs/dbraw/zinc/04/61/26/1171046126.db2.gz WPNBJIQMXYUMFA-MRXNPFEDSA-N -1 1 323.360 0.797 20 0 DCADMM c1nc(CNc2ccc(-c3nnn[n-]3)nn2)nn1-c1ccccc1 ZINC001609616549 1171047154 /nfs/dbraw/zinc/04/71/54/1171047154.db2.gz RXPSMRHADLUJMK-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nc(CNc2ccc(-c3nn[n-]n3)nn2)nn1-c1ccccc1 ZINC001609616549 1171047160 /nfs/dbraw/zinc/04/71/60/1171047160.db2.gz 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COc1cccnc1C(=O)NCC[C@H](C)NC(=O)c1cnn[nH]1 ZINC001077670521 752264526 /nfs/dbraw/zinc/26/45/26/752264526.db2.gz XLKHVNJSJBRDNN-VIFPVBQESA-N -1 1 318.337 0.147 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCC[C@H]1CCOC1 ZINC001211864992 748883926 /nfs/dbraw/zinc/88/39/26/748883926.db2.gz DLEFXPRWUAGOLF-VIFPVBQESA-N -1 1 317.367 0.291 20 0 DCADMM CO[C@H](C)c1nsc(N[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)n1 ZINC001059458677 749199078 /nfs/dbraw/zinc/19/90/78/749199078.db2.gz QCSSUNYYPGQHGH-BWZBUEFSSA-N -1 1 323.382 0.737 20 0 DCADMM O=C(Cc1ccc[nH]1)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001168254984 749669284 /nfs/dbraw/zinc/66/92/84/749669284.db2.gz AUVDHGYNHOJLHZ-UHFFFAOYSA-N -1 1 318.381 0.457 20 0 DCADMM COC(=O)c1ncc2n1CCC[C@@H]2OCC[P@](=O)([O-])O ZINC001224601897 750147490 /nfs/dbraw/zinc/14/74/90/750147490.db2.gz MLXUEFLIXLPTLM-VIFPVBQESA-N -1 1 304.239 0.699 20 0 DCADMM CC(C)CC1(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)CC1 ZINC001112947091 762035794 /nfs/dbraw/zinc/03/57/94/762035794.db2.gz 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CC[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1[O-] ZINC001061313879 753757236 /nfs/dbraw/zinc/75/72/36/753757236.db2.gz JNGXRICYTQGETL-NWDGAFQWSA-N -1 1 321.377 0.791 20 0 DCADMM CSCC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071953032 762252894 /nfs/dbraw/zinc/25/28/94/762252894.db2.gz UKRIHDNYOMMSTC-UWVGGRQHSA-N -1 1 309.391 0.727 20 0 DCADMM CC1(C(=O)NC[C@H]2COCCN2C(=O)c2ncccc2[O-])CC1 ZINC001061641111 754172970 /nfs/dbraw/zinc/17/29/70/754172970.db2.gz HRBNWKXFLWEHLH-NSHDSACASA-N -1 1 319.361 0.545 20 0 DCADMM CO[C@@H](C)CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001062678873 754875455 /nfs/dbraw/zinc/87/54/55/754875455.db2.gz KWQMPRFKWBHPCO-NSHDSACASA-N -1 1 321.377 0.981 20 0 DCADMM CC(C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1)=C1CCC1 ZINC001048811932 754954727 /nfs/dbraw/zinc/95/47/27/754954727.db2.gz TUXLHEMJLQJCNZ-BETUJISGSA-N -1 1 317.393 0.901 20 0 DCADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccoc2)C3)nc1=O ZINC001096803641 755523406 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C[C@@H](O)CN1CC2(C1)CC[C@H](CNC(=O)c1ncccc1[O-])O2 ZINC001053594373 756110078 /nfs/dbraw/zinc/11/00/78/756110078.db2.gz KQOMLNSUWQDMMV-VXGBXAGGSA-N -1 1 321.377 0.131 20 0 DCADMM COCCN1CC2(C1)C[C@H](NC(=O)c1ncccc1[O-])CO2 ZINC001053784584 756202894 /nfs/dbraw/zinc/20/28/94/756202894.db2.gz RRBIHDBQVKHXLY-NSHDSACASA-N -1 1 307.350 0.007 20 0 DCADMM C[C@H]1CN(C(=O)c2cccnc2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054333353 756440463 /nfs/dbraw/zinc/44/04/63/756440463.db2.gz OSQIAGBHEBSEAT-GXSJLCMTSA-N -1 1 302.338 0.156 20 0 DCADMM Cc1cccc(C(=O)N2C[C@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001054395548 756469382 /nfs/dbraw/zinc/46/93/82/756469382.db2.gz IAGCMLBVYHRDOG-JOYOIKCWSA-N -1 1 316.365 0.464 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054393007 756469477 /nfs/dbraw/zinc/46/94/77/756469477.db2.gz AEPWXXFRGKWDED-NXEZZACHSA-N -1 1 304.354 0.099 20 0 DCADMM C[C@H]1CN(C(=O)CC(F)(F)F)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054452997 756491993 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DCADMM Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001054802806 756644272 /nfs/dbraw/zinc/64/42/72/756644272.db2.gz UBBLURDMPJKNSL-MWLCHTKSSA-N -1 1 318.381 0.706 20 0 DCADMM CC1(C(=O)NC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2O)CC1 ZINC001081542250 756708052 /nfs/dbraw/zinc/70/80/52/756708052.db2.gz QEDDKATYQKNBOW-PWSUYJOCSA-N -1 1 319.361 0.136 20 0 DCADMM COCCC(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001081812880 756819104 /nfs/dbraw/zinc/81/91/04/756819104.db2.gz NFWZJXSKNAKKMH-LBPRGKRZSA-N -1 1 321.377 0.935 20 0 DCADMM C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082502794 757169524 /nfs/dbraw/zinc/16/95/24/757169524.db2.gz KVUFKCISGOOKHC-GJMOJQLCSA-N -1 1 301.297 0.102 20 0 DCADMM C[C@@H]1CN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082661251 757217103 /nfs/dbraw/zinc/21/71/03/757217103.db2.gz HAWCGTULGFGHSE-KEBCXIEDSA-N -1 1 319.409 0.883 20 0 DCADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)C(F)(F)F 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LNUHRSGGMIOOII-UHFFFAOYSA-N -1 1 311.319 0.628 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)C2(C)CC=CC2)nc1=O ZINC001323294771 947019997 /nfs/dbraw/zinc/01/99/97/947019997.db2.gz YVZFBTUWHHRTBJ-NSHDSACASA-N -1 1 305.382 0.155 20 0 DCADMM O=C1NCCCN1c1cc(C[N-]S(=O)(=O)C(F)F)ccn1 ZINC001259963735 947041357 /nfs/dbraw/zinc/04/13/57/947041357.db2.gz MPRUBZYWTDREBC-UHFFFAOYSA-N -1 1 320.321 0.643 20 0 DCADMM C[C@@](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)(C(=O)[O-])C1CC1 ZINC001604350874 1169562714 /nfs/dbraw/zinc/56/27/14/1169562714.db2.gz LFGVIBSBSLTLEO-KBPBESRZSA-N -1 1 316.423 0.645 20 0 DCADMM CS(=O)(=O)CS(=O)(=O)[N-]c1ccnc(Cl)c1F ZINC001260584844 947115687 /nfs/dbraw/zinc/11/56/87/947115687.db2.gz YUHLFLHGXXHRFF-UHFFFAOYSA-N -1 1 302.736 0.618 20 0 DCADMM Cc1cnc(CNC[C@H](O)CN(C)C(=O)c2ncccc2[O-])o1 ZINC001410984909 947194951 /nfs/dbraw/zinc/19/49/51/947194951.db2.gz OKMVWYHKXIPFMZ-NSHDSACASA-N -1 1 320.349 0.306 20 0 DCADMM C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573605036 947522981 /nfs/dbraw/zinc/52/29/81/947522981.db2.gz SZYXXQIERCFXFI-SECBINFHSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573605036 947522998 /nfs/dbraw/zinc/52/29/98/947522998.db2.gz SZYXXQIERCFXFI-SECBINFHSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CCC(CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573433105 948198113 /nfs/dbraw/zinc/19/81/13/948198113.db2.gz JDUZNTFMEGBOCO-UHFFFAOYSA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)N1CCC(CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573433105 948198120 /nfs/dbraw/zinc/19/81/20/948198120.db2.gz JDUZNTFMEGBOCO-UHFFFAOYSA-N -1 1 316.369 0.636 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ccon1)NC(=O)c1ncccc1[O-] ZINC001487720266 948207060 /nfs/dbraw/zinc/20/70/60/948207060.db2.gz BECLGIHOTCDUHE-VIFPVBQESA-N -1 1 304.306 0.666 20 0 DCADMM CC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573439596 948245952 /nfs/dbraw/zinc/24/59/52/948245952.db2.gz NIGKVJIAVTUGAQ-CMPLNLGQSA-N -1 1 314.353 0.104 20 0 DCADMM CC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573439596 948245963 /nfs/dbraw/zinc/24/59/63/948245963.db2.gz NIGKVJIAVTUGAQ-CMPLNLGQSA-N -1 1 314.353 0.104 20 0 DCADMM CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573442203 948288355 /nfs/dbraw/zinc/28/83/55/948288355.db2.gz UJHMAKYPZNHOME-JTQLQIEISA-N -1 1 302.342 0.470 20 0 DCADMM CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573442203 948288363 /nfs/dbraw/zinc/28/83/63/948288363.db2.gz UJHMAKYPZNHOME-JTQLQIEISA-N -1 1 302.342 0.470 20 0 DCADMM CC(=O)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573442360 948291795 /nfs/dbraw/zinc/29/17/95/948291795.db2.gz HLIRSMBVARNCKH-LLVKDONJSA-N -1 1 316.369 0.717 20 0 DCADMM CC(=O)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573442360 948291802 /nfs/dbraw/zinc/29/18/02/948291802.db2.gz HLIRSMBVARNCKH-LLVKDONJSA-N -1 1 316.369 0.717 20 0 DCADMM CC1(C)C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ncccc1[O-] ZINC001487974472 948396212 /nfs/dbraw/zinc/39/62/12/948396212.db2.gz AAQLZFQETPPANL-UWVGGRQHSA-N -1 1 307.350 0.040 20 0 DCADMM Cc1cc(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)on1 ZINC001570919709 948591358 /nfs/dbraw/zinc/59/13/58/948591358.db2.gz ZSVLBRYIZUNOKU-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)C1CC1 ZINC001573732555 948605055 /nfs/dbraw/zinc/60/50/55/948605055.db2.gz RFXMNFHFUIYOPA-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)C1CC1 ZINC001573732555 948605060 /nfs/dbraw/zinc/60/50/60/948605060.db2.gz RFXMNFHFUIYOPA-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM CC(=O)N1CCC([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001570921150 948615859 /nfs/dbraw/zinc/61/58/59/948615859.db2.gz PHRUZZXQHSPGHK-SECBINFHSA-N -1 1 316.369 0.138 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]1CC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573739558 948620740 /nfs/dbraw/zinc/62/07/40/948620740.db2.gz FKBGYZSMWVENRN-LPEHRKFASA-N -1 1 318.385 0.960 20 0 DCADMM COc1ncc(NC(=O)NC2([C@@H](C)O)CC2)cc1-c1nn[n-]n1 ZINC001570921545 948623830 /nfs/dbraw/zinc/62/38/30/948623830.db2.gz FAMYTYQEINGXJA-SSDOTTSWSA-N -1 1 319.325 0.305 20 0 DCADMM Cn1c(=O)[nH]c(Sc2ccc(O)cc2)c(-c2nn[n-]n2)c1=O ZINC001570921626 948624834 /nfs/dbraw/zinc/62/48/34/948624834.db2.gz ILWQIFGOWQJHTI-UHFFFAOYSA-N -1 1 318.318 0.111 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001570921831 948627853 /nfs/dbraw/zinc/62/78/53/948627853.db2.gz AAEGVIZVLGGIGK-BDAKNGLRSA-N -1 1 320.357 0.631 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001570921831 948627860 /nfs/dbraw/zinc/62/78/60/948627860.db2.gz AAEGVIZVLGGIGK-BDAKNGLRSA-N -1 1 320.357 0.631 20 0 DCADMM COC(=O)c1csc(Cn2ccc(-c3nn[n-]n3)cc2=O)n1 ZINC001570922026 948633403 /nfs/dbraw/zinc/63/34/03/948633403.db2.gz SZKMPGFOGSZIQR-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM CC(C)(F)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001570922558 948644183 /nfs/dbraw/zinc/64/41/83/948644183.db2.gz LVVBKOXGEYXIIN-UHFFFAOYSA-N -1 1 320.332 0.053 20 0 DCADMM CC(C)(F)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001570922558 948644187 /nfs/dbraw/zinc/64/41/87/948644187.db2.gz LVVBKOXGEYXIIN-UHFFFAOYSA-N -1 1 320.332 0.053 20 0 DCADMM COc1ncccc1Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001570922595 948645159 /nfs/dbraw/zinc/64/51/59/948645159.db2.gz KLFQPRITOFHDNY-UHFFFAOYSA-N -1 1 324.344 0.969 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)CCN1CCCC1=O ZINC001263730745 948739372 /nfs/dbraw/zinc/73/93/72/948739372.db2.gz IZILZMLYYXEGIU-UHFFFAOYSA-N -1 1 310.379 0.474 20 0 DCADMM CC(C)[C@@H](F)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574079744 948779478 /nfs/dbraw/zinc/77/94/78/948779478.db2.gz GVZUZVOUCWGSPU-DTWKUNHWSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@@H](F)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574079744 948779492 /nfs/dbraw/zinc/77/94/92/948779492.db2.gz GVZUZVOUCWGSPU-DTWKUNHWSA-N -1 1 322.348 0.567 20 0 DCADMM COc1ccc(CCC(=O)N2CC[C@@H](c3nn[n-]n3)C2)cn1 ZINC001548761856 1013091000 /nfs/dbraw/zinc/09/10/00/1013091000.db2.gz IPQXUECOVNPWOA-LLVKDONJSA-N -1 1 302.338 0.552 20 0 DCADMM Cc1nn(C)c(C)c1S(=O)(=O)NN=c1ncc(Cl)c[n-]1 ZINC001328570524 948972614 /nfs/dbraw/zinc/97/26/14/948972614.db2.gz VNNHICLKYUSTBP-UHFFFAOYSA-N -1 1 316.774 0.786 20 0 DCADMM CC[C@H](CNC(=O)N1CCN(CC(C)(C)O)CC1)C(=O)[O-] ZINC000087510191 949088733 /nfs/dbraw/zinc/08/87/33/949088733.db2.gz FVFGLHWIHRXWRM-LLVKDONJSA-N -1 1 301.387 0.195 20 0 DCADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1C[C@@H]1C ZINC001574696874 949145648 /nfs/dbraw/zinc/14/56/48/949145648.db2.gz WKMGNUBHBBYQNC-AEJSXWLSSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1C[C@@H]1C ZINC001574696874 949145664 /nfs/dbraw/zinc/14/56/64/949145664.db2.gz WKMGNUBHBBYQNC-AEJSXWLSSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H]1CCn2cc(C(=O)N3CCOC[C@@H]3c3nn[n-]n3)nc2C1 ZINC001364383480 949158971 /nfs/dbraw/zinc/15/89/71/949158971.db2.gz NORSXCYCLHDJIV-GXSJLCMTSA-N -1 1 317.353 0.192 20 0 DCADMM C[C@@H](NC(=O)C(C)(C)F)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575252440 949162135 /nfs/dbraw/zinc/16/21/35/949162135.db2.gz QIINZXFRVWIETL-JGVFFNPUSA-N -1 1 322.348 0.710 20 0 DCADMM C[C@@H](NC(=O)C(C)(C)F)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575252440 949162145 /nfs/dbraw/zinc/16/21/45/949162145.db2.gz QIINZXFRVWIETL-JGVFFNPUSA-N -1 1 322.348 0.710 20 0 DCADMM CCN(CCCNC(=O)c1[nH]nc(C)c1[O-])Cc1ccnn1C ZINC001265108790 949318031 /nfs/dbraw/zinc/31/80/31/949318031.db2.gz IBTXTBOYOKGHKQ-UHFFFAOYSA-N -1 1 320.397 0.799 20 0 DCADMM C[C@H](NC(=O)C1CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575259910 949343002 /nfs/dbraw/zinc/34/30/02/949343002.db2.gz SBRNKGRIOWALQV-YUMQZZPRSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@H](NC(=O)C1CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575259910 949343021 /nfs/dbraw/zinc/34/30/21/949343021.db2.gz SBRNKGRIOWALQV-YUMQZZPRSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@@H](NC(=O)C1CCC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575260155 949347766 /nfs/dbraw/zinc/34/77/66/949347766.db2.gz VAKJAVWRJFWBPP-RKDXNWHRSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@@H](NC(=O)C1CCC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575260155 949347781 /nfs/dbraw/zinc/34/77/81/949347781.db2.gz VAKJAVWRJFWBPP-RKDXNWHRSA-N -1 1 316.369 0.762 20 0 DCADMM CC(C)CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574110143 949354045 /nfs/dbraw/zinc/35/40/45/949354045.db2.gz RKRKKSPPYYFZDY-SNVBAGLBSA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574110143 949354066 /nfs/dbraw/zinc/35/40/66/949354066.db2.gz RKRKKSPPYYFZDY-SNVBAGLBSA-N -1 1 316.369 0.716 20 0 DCADMM COC(=O)[C@@]1(CNC(=O)c2cnc(C3CC3)[n-]c2=O)CCOC1 ZINC001364463293 949359947 /nfs/dbraw/zinc/35/99/47/949359947.db2.gz ALOKRHGXBRJJNR-OAHLLOKOSA-N -1 1 321.333 0.369 20 0 DCADMM C[C@H](CN(C)C(=O)C1CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574706721 949459944 /nfs/dbraw/zinc/45/99/44/949459944.db2.gz MBHRCSKIIJUWEB-SECBINFHSA-N -1 1 316.369 0.716 20 0 DCADMM 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CCCC(=O)NC[C@@H]1CCCN(C(=O)CCCc2nn[n-]n2)C1 ZINC001361994674 958585271 /nfs/dbraw/zinc/58/52/71/958585271.db2.gz MMANVSFNOWAOBI-LBPRGKRZSA-N -1 1 322.413 0.677 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H](C)CN(C)CCNC(=O)C2CC2)c1[O-] ZINC001367791275 958591029 /nfs/dbraw/zinc/59/10/29/958591029.db2.gz BOLAGLYFWGQONW-SECBINFHSA-N -1 1 323.397 0.000 20 0 DCADMM C[C@@H]1Oc2ccc(NC(=O)CCc3nn[n-]n3)cc2NC1=O ZINC001362037515 958637919 /nfs/dbraw/zinc/63/79/19/958637919.db2.gz REQNNZSSFVELND-ZETCQYMHSA-N -1 1 302.294 0.490 20 0 DCADMM CCC[C@H](NC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)c1nn[n-]n1 ZINC001362053653 958661276 /nfs/dbraw/zinc/66/12/76/958661276.db2.gz QTHYZNLHDPMAQY-VGMNWLOBSA-N -1 1 303.388 0.226 20 0 DCADMM COCCn1cc(NC(=O)c2cnc(SC)[n-]c2=O)cn1 ZINC001362059798 958670490 /nfs/dbraw/zinc/67/04/90/958670490.db2.gz BQGSTYPTHJBMIP-UHFFFAOYSA-N -1 1 309.351 0.999 20 0 DCADMM COc1ccc(NC(=O)CCc2nn[n-]n2)cc1NC(C)=O ZINC001362062937 958678824 /nfs/dbraw/zinc/67/88/24/958678824.db2.gz 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CC(=O)c1cncc(C(=O)OC[C@@H]2CCCN2CC(=O)[O-])c1 ZINC001588534259 958918454 /nfs/dbraw/zinc/91/84/54/958918454.db2.gz TTWDJCCKFGEDIS-ZDUSSCGKSA-N -1 1 306.318 0.990 20 0 DCADMM CC(C)Cn1cc(C(=O)NC[C@@H](C)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001491626048 958960106 /nfs/dbraw/zinc/96/01/06/958960106.db2.gz YKTULWGZUZADFZ-SNVBAGLBSA-N -1 1 321.385 0.271 20 0 DCADMM C[C@H](C(=O)N(C)C1CCCCC1)n1cc(CNCC(=O)[O-])nn1 ZINC001588544963 958988119 /nfs/dbraw/zinc/98/81/19/958988119.db2.gz DOMDYLNNBFWEPF-LLVKDONJSA-N -1 1 323.397 0.804 20 0 DCADMM CSc1ncc(C(=O)NCCc2c(C)[nH][nH]c2=O)c(=O)[n-]1 ZINC001362242920 958991074 /nfs/dbraw/zinc/99/10/74/958991074.db2.gz AHSAHBALIDWHNF-ZETCQYMHSA-N -1 1 309.351 0.146 20 0 DCADMM CCCC(O)(CCC)CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001362249710 959001699 /nfs/dbraw/zinc/00/16/99/959001699.db2.gz XFDLHKAUXQTNIR-NSHDSACASA-N -1 1 311.386 0.821 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)[C@H]2CCCCN2C)c1[O-] ZINC001376868312 959021201 /nfs/dbraw/zinc/02/12/01/959021201.db2.gz 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959101034 /nfs/dbraw/zinc/10/10/34/959101034.db2.gz LXQHAHQURLIPKL-UBHAPETDSA-N -1 1 316.361 0.799 20 0 DCADMM Cc1n[nH]c(=O)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1C ZINC001362309897 959114552 /nfs/dbraw/zinc/11/45/52/959114552.db2.gz HNSCZTYCEJGUIY-SECBINFHSA-N -1 1 303.326 0.332 20 0 DCADMM Cc1cnoc1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001491678852 959124447 /nfs/dbraw/zinc/12/44/47/959124447.db2.gz MXNFCQNPLLHQAU-UHFFFAOYSA-N -1 1 304.306 0.634 20 0 DCADMM CCC(CC)(NC(=O)[C@H]1CCCN(C(C)=O)C1)c1nn[n-]n1 ZINC001362423345 959330443 /nfs/dbraw/zinc/33/04/43/959330443.db2.gz KALSAPQIPFGXRW-NSHDSACASA-N -1 1 308.386 0.590 20 0 DCADMM Cc1nc(N2CCOCC2)ccc1NC(=O)c1cnncc1[O-] ZINC001362437026 959354375 /nfs/dbraw/zinc/35/43/75/959354375.db2.gz UKJNPPYKAFDGCG-UHFFFAOYSA-N -1 1 315.333 0.975 20 0 DCADMM Cc1nc([C@H]2CCCN(C(=O)[C@@]3(C(=O)[O-])CCCO3)C2)n[nH]1 ZINC001594451626 959376900 /nfs/dbraw/zinc/37/69/00/959376900.db2.gz HFWROVKEUFRUQJ-IINYFYTJSA-N -1 1 308.338 0.453 20 0 DCADMM 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CC[C@H](C)[C@H](C)C(=O)NCCN(CC)Cc1nc(=O)n(C)[n-]1 ZINC001391007624 990514095 /nfs/dbraw/zinc/51/40/95/990514095.db2.gz WWIYPAIDMUDNSD-RYUDHWBXSA-N -1 1 311.430 0.729 20 0 DCADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(CC(N)=O)C1 ZINC001391282967 990716294 /nfs/dbraw/zinc/71/62/94/990716294.db2.gz QUWLSPAVTJCADB-LLVKDONJSA-N -1 1 306.366 0.199 20 0 DCADMM CC1(C)C[C@H]1C(=O)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391303058 990732114 /nfs/dbraw/zinc/73/21/14/990732114.db2.gz MKOZIDQYASSKSQ-MNOVXSKESA-N -1 1 307.398 0.885 20 0 DCADMM COc1cccc2c1CC[C@@]2(N)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001599690131 991055291 /nfs/dbraw/zinc/05/52/91/991055291.db2.gz UMFGXPCTKHVIGK-CVEARBPZSA-N -1 1 322.336 0.821 20 0 DCADMM Cc1occc1C(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001391997364 991379516 /nfs/dbraw/zinc/37/95/16/991379516.db2.gz COPHSRFAACOYOP-JTQLQIEISA-N -1 1 319.317 0.209 20 0 DCADMM COCCC(C)(C)C(=O)N(C)[C@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001392111263 991502381 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Cc1ncoc1C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001425023992 1002263239 /nfs/dbraw/zinc/26/32/39/1002263239.db2.gz GKCTXQSZNXSRNG-VIFPVBQESA-N -1 1 318.333 0.974 20 0 DCADMM CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001425042666 1002285854 /nfs/dbraw/zinc/28/58/54/1002285854.db2.gz HNHVFROTAMQRAE-QWRGUYRKSA-N -1 1 309.366 0.789 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H](C)c1cccnc1 ZINC001420373057 1002298319 /nfs/dbraw/zinc/29/83/19/1002298319.db2.gz PNCUWMFXPHSRIC-NXEZZACHSA-N -1 1 304.354 0.303 20 0 DCADMM CN(CCNC(=O)C1(C(F)F)CCC1)Cc1nc(=O)n(C)[n-]1 ZINC001403665045 1002300787 /nfs/dbraw/zinc/30/07/87/1002300787.db2.gz KPFGAILAOUXLCN-UHFFFAOYSA-N -1 1 317.340 0.092 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1csc(C2CC2)n1 ZINC001420389172 1002331833 /nfs/dbraw/zinc/33/18/33/1002331833.db2.gz UGMJBWIJVMJFOS-SSDOTTSWSA-N -1 1 322.394 0.752 20 0 DCADMM C[C@@H](CN(C)C(=O)Cn1ccnc1)NC(=O)c1ncccc1[O-] ZINC001425108690 1002365524 /nfs/dbraw/zinc/36/55/24/1002365524.db2.gz JHIAUGPJUYTGAA-NSHDSACASA-N -1 1 317.349 0.261 20 0 DCADMM CNc1nnc(CC(=O)N(Cc2nn[n-]n2)CC(C)C)s1 ZINC001471646072 1016614956 /nfs/dbraw/zinc/61/49/56/1016614956.db2.gz ALIUORDOCNTNPE-UHFFFAOYSA-N -1 1 310.387 0.320 20 0 DCADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1nocc1C ZINC001425182095 1002423262 /nfs/dbraw/zinc/42/32/62/1002423262.db2.gz AEPPSMKNRGIBDS-SNVBAGLBSA-N -1 1 322.369 0.885 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC001420573472 1002638188 /nfs/dbraw/zinc/63/81/88/1002638188.db2.gz VYHUGNZTXBSPCM-MWLCHTKSSA-N -1 1 317.301 0.285 20 0 DCADMM COC[C@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)c1nn[n-]n1 ZINC001471843354 1016665363 /nfs/dbraw/zinc/66/53/63/1016665363.db2.gz GUGYYMHUUWKPQK-KOLCDFICSA-N -1 1 324.385 0.088 20 0 DCADMM COC[C@@H](NC(=O)c1ccc(N(C)C)c(C=O)c1)c1nn[n-]n1 ZINC001471846346 1016669731 /nfs/dbraw/zinc/66/97/31/1016669731.db2.gz SYQPGSFJPQPLGF-LLVKDONJSA-N -1 1 318.337 0.196 20 0 DCADMM CSc1ncc(C(=O)N2CC[C@@]3(CCOC3=O)C2)c(=O)[n-]1 ZINC001420706305 1002822817 /nfs/dbraw/zinc/82/28/17/1002822817.db2.gz OETJUSNLKCXGSM-CYBMUJFWSA-N -1 1 309.347 0.683 20 0 DCADMM CCN(C)C(=O)CN(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001505904131 1016682799 /nfs/dbraw/zinc/68/27/99/1016682799.db2.gz AAYWJFACDAARSA-LLVKDONJSA-N -1 1 308.382 0.316 20 0 DCADMM COC(=O)C[C@H](NC(=O)CCCc1nn[n-]n1)C1CCCC1 ZINC001471908492 1016687581 /nfs/dbraw/zinc/68/75/81/1016687581.db2.gz GCRHBNNZWCVSTO-NSHDSACASA-N -1 1 309.370 0.761 20 0 DCADMM CO[C@H](C(=O)N(C)[C@@H](C)CNCc1n[nH]c(=O)[n-]1)C1CCC1 ZINC001405860971 1003148082 /nfs/dbraw/zinc/14/80/82/1003148082.db2.gz XXWYARPOBCNKMT-CABZTGNLSA-N -1 1 311.386 0.262 20 0 DCADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001472119695 1016736693 /nfs/dbraw/zinc/73/66/93/1016736693.db2.gz YNFUXKDCAOFAAR-AXFHLTTASA-N -1 1 309.366 0.618 20 0 DCADMM CC(C)[C@@H](CNC(=O)[C@H]1CCCCO1)NCc1n[nH]c(=O)[n-]1 ZINC001406020275 1003272725 /nfs/dbraw/zinc/27/27/25/1003272725.db2.gz XVVXEAIJLAKOMU-GHMZBOCLSA-N -1 1 311.386 0.310 20 0 DCADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)c1ccn[nH]1 ZINC001406041895 1003292645 /nfs/dbraw/zinc/29/26/45/1003292645.db2.gz SGMRDMAGZKUUEQ-SNVBAGLBSA-N -1 1 317.349 0.791 20 0 DCADMM CN1C(=O)Cc2cc(CNC(=O)CCCc3nn[n-]n3)ccc21 ZINC001472355904 1016787992 /nfs/dbraw/zinc/78/79/92/1016787992.db2.gz XFFIQIMDIDYTMA-UHFFFAOYSA-N -1 1 314.349 0.358 20 0 DCADMM CSc1nc(CNC(=O)c2c[nH]cc(C)c2=O)cc(=O)[n-]1 ZINC001472589149 1016836980 /nfs/dbraw/zinc/83/69/80/1016836980.db2.gz MQRHEOHHKAMHMH-UHFFFAOYSA-N -1 1 306.347 0.831 20 0 DCADMM C[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)C1CC1 ZINC001428636180 1004078257 /nfs/dbraw/zinc/07/82/57/1004078257.db2.gz PPOYWLWHPPPXTF-MRVPVSSYSA-N -1 1 304.350 0.704 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1 ZINC001426871316 1004102384 /nfs/dbraw/zinc/10/23/84/1004102384.db2.gz VAZMJYFZTBIKMW-MNOVXSKESA-N -1 1 319.361 0.136 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]2CNC(=O)C(C)(C)C(F)F)nc1=O ZINC001406847145 1004147758 /nfs/dbraw/zinc/14/77/58/1004147758.db2.gz HJVFRRYURJLYSB-MRVPVSSYSA-N -1 1 317.340 0.090 20 0 DCADMM CC(C)[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001428817014 1004195046 /nfs/dbraw/zinc/19/50/46/1004195046.db2.gz LFFOWYBDPQJJDO-NQBHXWOUSA-N -1 1 321.377 0.381 20 0 DCADMM COCCC(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001428839094 1004207951 /nfs/dbraw/zinc/20/79/51/1004207951.db2.gz WGOSJJIDAOMMKE-LLVKDONJSA-N -1 1 307.350 0.402 20 0 DCADMM CC(C)C(=O)NC[C@]1(C)CN(C(=O)c2ncccc2[O-])CCO1 ZINC001406927259 1004229582 /nfs/dbraw/zinc/22/95/82/1004229582.db2.gz GLAMVLHEQUWXQE-MRXNPFEDSA-N -1 1 321.377 0.791 20 0 DCADMM CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001427258201 1004287921 /nfs/dbraw/zinc/28/79/21/1004287921.db2.gz ZOQOJOWIHUVTQM-UTUOFQBUSA-N -1 1 319.361 0.685 20 0 DCADMM COCC1(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)CCC1 ZINC001407112935 1004393210 /nfs/dbraw/zinc/39/32/10/1004393210.db2.gz JRJHMCAJBIQWJC-NSHDSACASA-N -1 1 323.397 0.408 20 0 DCADMM CCOCC(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001427525951 1004445276 /nfs/dbraw/zinc/44/52/76/1004445276.db2.gz BOCUDEXEONYVOB-UHFFFAOYSA-N -1 1 307.350 0.545 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ncc[nH]1)NC(=O)c1ncccc1[O-] ZINC001427554570 1004460153 /nfs/dbraw/zinc/46/01/53/1004460153.db2.gz UDKPTEFLEQYDDO-VIFPVBQESA-N -1 1 303.322 0.401 20 0 DCADMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCOCC1)C1CCCC1 ZINC001407287911 1004520242 /nfs/dbraw/zinc/52/02/42/1004520242.db2.gz FXIVNEOSDUZJDF-UHFFFAOYSA-N -1 1 323.397 0.456 20 0 DCADMM CCO[C@@H](C)C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001429455752 1004609213 /nfs/dbraw/zinc/60/92/13/1004609213.db2.gz JAFOYWFHIFLYRX-NSHDSACASA-N -1 1 307.350 0.497 20 0 DCADMM C[C@]1(CSc2nc(C(F)F)cc(=O)[n-]2)NC(=O)NC1=O ZINC001473041636 1016900287 /nfs/dbraw/zinc/90/02/87/1016900287.db2.gz XUTKYCOLQSDTBB-SNVBAGLBSA-N -1 1 304.278 0.810 20 0 DCADMM O=S(=O)([N-][C@@H]1CCO[C@]2(CCOC2)C1)c1c[nH]nc1Cl ZINC001414240378 1005263004 /nfs/dbraw/zinc/26/30/04/1005263004.db2.gz IAMKROCJOJAOAI-LDYMZIIASA-N -1 1 321.786 0.680 20 0 DCADMM COc1nscc1S(=O)(=O)[N-][C@H]1CC[C@H](CO)CC1 ZINC001414242213 1005263183 /nfs/dbraw/zinc/26/31/83/1005263183.db2.gz NRTNYWGGTUBPQW-KYZUINATSA-N -1 1 306.409 0.981 20 0 DCADMM CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)n[n-]1)[C@H]1CCCO1 ZINC001414240874 1005263311 /nfs/dbraw/zinc/26/33/11/1005263311.db2.gz JVKHCRGTBXJGHB-PSASIEDQSA-N -1 1 317.367 0.432 20 0 DCADMM CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)[n-]n1)[C@H]1CCCO1 ZINC001414240874 1005263312 /nfs/dbraw/zinc/26/33/12/1005263312.db2.gz JVKHCRGTBXJGHB-PSASIEDQSA-N -1 1 317.367 0.432 20 0 DCADMM COc1nscc1S(=O)(=O)[N-]CC1(CC(N)=O)CC1 ZINC001414290046 1005277460 /nfs/dbraw/zinc/27/74/60/1005277460.db2.gz IGEGDPGXZBXFSI-UHFFFAOYSA-N -1 1 305.381 0.086 20 0 DCADMM NC(=O)c1csc(C[N-]S(=O)(=O)c2ccns2)n1 ZINC001414310698 1005283102 /nfs/dbraw/zinc/28/31/02/1005283102.db2.gz XRXYKBNSHFDUBM-UHFFFAOYSA-N -1 1 304.378 0.177 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)[n-]n1 ZINC001414317660 1005285571 /nfs/dbraw/zinc/28/55/71/1005285571.db2.gz QLZTZDXQKXGAIQ-XLPZGREQSA-N -1 1 303.340 0.041 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)n[n-]1 ZINC001414317660 1005285575 /nfs/dbraw/zinc/28/55/75/1005285575.db2.gz QLZTZDXQKXGAIQ-XLPZGREQSA-N -1 1 303.340 0.041 20 0 DCADMM C[C@@H]1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCCO1 ZINC001414713120 1005388260 /nfs/dbraw/zinc/38/82/60/1005388260.db2.gz MPHUFPLSPBXMAN-SNVBAGLBSA-N -1 1 322.365 0.575 20 0 DCADMM C[C@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C1(CO)CC1 ZINC001414713894 1005388724 /nfs/dbraw/zinc/38/87/24/1005388724.db2.gz XKHCPBRJEFMYOG-VIFPVBQESA-N -1 1 322.365 0.215 20 0 DCADMM CCc1nc(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])co1 ZINC001415143169 1005468480 /nfs/dbraw/zinc/46/84/80/1005468480.db2.gz IMKGBDMVVLKSHA-SECBINFHSA-N -1 1 318.333 0.886 20 0 DCADMM CC(C)SCC(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC001416018600 1005650126 /nfs/dbraw/zinc/65/01/26/1005650126.db2.gz WVZXXLCIJJPZFT-UHFFFAOYSA-N -1 1 309.391 0.869 20 0 DCADMM C[C@H](CNC(=O)c1cnccn1)CNC(=O)c1ncccc1[O-] ZINC001416423034 1005694733 /nfs/dbraw/zinc/69/47/33/1005694733.db2.gz VTGFZFOPERDEOB-SNVBAGLBSA-N -1 1 315.333 0.373 20 0 DCADMM C[C@H](CNC(=O)c1ncccn1)CNC(=O)c1ncccc1[O-] ZINC001416456002 1005700700 /nfs/dbraw/zinc/70/07/00/1005700700.db2.gz HQJGOBWIJPOZLI-JTQLQIEISA-N -1 1 315.333 0.373 20 0 DCADMM COCCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001416700419 1005724472 /nfs/dbraw/zinc/72/44/72/1005724472.db2.gz PCIRVRDCVXSGPL-NWDGAFQWSA-N -1 1 321.377 0.838 20 0 DCADMM COCC(=O)NC[C@@]1(C)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001417406710 1005830000 /nfs/dbraw/zinc/83/00/00/1005830000.db2.gz KXZBRJXOSDFRLI-MRXNPFEDSA-N -1 1 321.377 0.792 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)c3ccc(-n4ccnc4)nn3)ccnc1-2 ZINC001417444121 1005835498 /nfs/dbraw/zinc/83/54/98/1005835498.db2.gz BCUDJJWRMCOFIX-UHFFFAOYSA-N -1 1 320.316 0.570 20 0 DCADMM CS(=O)(=O)c1cccnc1C(=O)[N-]c1nc2n(n1)CCCC2 ZINC001417554995 1005843316 /nfs/dbraw/zinc/84/33/16/1005843316.db2.gz ABQDKKMQYSZRMP-UHFFFAOYSA-N -1 1 321.362 0.665 20 0 DCADMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@H]2CCN(C)C(=O)C2)[n-]1 ZINC001417579807 1005846324 /nfs/dbraw/zinc/84/63/24/1005846324.db2.gz IOMWZUOXGNJOJO-VIFPVBQESA-N -1 1 321.333 0.811 20 0 DCADMM CN(C)C(=O)c1ccccc1NC(=O)CCCc1nn[n-]n1 ZINC001417608739 1005850646 /nfs/dbraw/zinc/85/06/46/1005850646.db2.gz QTHWPLYIVSWFAO-UHFFFAOYSA-N -1 1 302.338 0.863 20 0 DCADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCCNC1=O ZINC001417635862 1005857005 /nfs/dbraw/zinc/85/70/05/1005857005.db2.gz JUOWYWOTETZNSK-JTQLQIEISA-N -1 1 306.366 0.870 20 0 DCADMM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CCCc1nn[n-]n1 ZINC001417641312 1005858448 /nfs/dbraw/zinc/85/84/48/1005858448.db2.gz WKKAYPJSQORAKE-LBPRGKRZSA-N -1 1 301.354 0.815 20 0 DCADMM CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2nnn[n-]2)C1 ZINC001417650525 1005861063 /nfs/dbraw/zinc/86/10/63/1005861063.db2.gz 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Cc1nn(C)cc1S(=O)(=O)[N-][C@]1(C(F)(F)F)CCOC1 ZINC000342661276 415245916 /nfs/dbraw/zinc/24/59/16/415245916.db2.gz NZNSNMIGUNVSHW-SECBINFHSA-N -1 1 313.301 0.728 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N1CCOCC12CCCC2 ZINC000352665874 415270447 /nfs/dbraw/zinc/27/04/47/415270447.db2.gz GEEFSSOKVSXQIR-UHFFFAOYSA-N -1 1 319.361 0.689 20 0 DCADMM O=C(Nc1nnn[n-]1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000342860662 415320433 /nfs/dbraw/zinc/32/04/33/415320433.db2.gz RWCCQHYXKGAVIF-SNVBAGLBSA-N -1 1 302.294 0.570 20 0 DCADMM O=C(Nc1nn[n-]n1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000342860662 415320436 /nfs/dbraw/zinc/32/04/36/415320436.db2.gz RWCCQHYXKGAVIF-SNVBAGLBSA-N -1 1 302.294 0.570 20 0 DCADMM CCOC(=O)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000352885347 415358984 /nfs/dbraw/zinc/35/89/84/415358984.db2.gz SZISDPZJRMWIJG-UHFFFAOYSA-N -1 1 312.141 0.884 20 0 DCADMM CC(C)n1c(CNC(=O)Cn2ccccc2=O)n[n-]c1=S ZINC000066639198 415366718 /nfs/dbraw/zinc/36/67/18/415366718.db2.gz KQFBMKNPPWMFOE-UHFFFAOYSA-N -1 1 307.379 1.000 20 0 DCADMM C[C@@H]1COCC[C@@H]1CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000342951688 415371457 /nfs/dbraw/zinc/37/14/57/415371457.db2.gz VXAYLPXPMQNTBU-GHMZBOCLSA-N -1 1 307.350 0.306 20 0 DCADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1n[nH]c(=O)[n-]1 ZINC000079621632 415474589 /nfs/dbraw/zinc/47/45/89/415474589.db2.gz MLRCRTVLNUZAEW-UHFFFAOYSA-N -1 1 316.365 0.823 20 0 DCADMM CN(C[C@H]1CCCCO1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000343218178 415505635 /nfs/dbraw/zinc/50/56/35/415505635.db2.gz RZEJWTGIRCEOJU-LLVKDONJSA-N -1 1 307.350 0.545 20 0 DCADMM Cc1nn(C)cc1[C@@H](C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000343250112 415516558 /nfs/dbraw/zinc/51/65/58/415516558.db2.gz XLMDGUJNVWZJGH-SECBINFHSA-N -1 1 317.349 0.436 20 0 DCADMM CN=c1[n-]nc(CC(=O)Nc2ccn(-c3ccncc3)n2)s1 ZINC000353444821 415548092 /nfs/dbraw/zinc/54/80/92/415548092.db2.gz HYSDFCOOQYXGRI-UHFFFAOYSA-N -1 1 315.362 0.186 20 0 DCADMM CN(CCc1ccncc1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000343362793 415573981 /nfs/dbraw/zinc/57/39/81/415573981.db2.gz FFZSZRRCMRHUGL-UHFFFAOYSA-N -1 1 314.345 0.613 20 0 DCADMM O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1nnn[n-]1 ZINC000102894876 415602229 /nfs/dbraw/zinc/60/22/29/415602229.db2.gz CKKRSXVVEBFVIV-UHFFFAOYSA-N -1 1 315.120 0.875 20 0 DCADMM O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1nn[n-]n1 ZINC000102894876 415602235 /nfs/dbraw/zinc/60/22/35/415602235.db2.gz CKKRSXVVEBFVIV-UHFFFAOYSA-N -1 1 315.120 0.875 20 0 DCADMM O=C(Nc1ccc2c(c1)CCCO2)c1cc(=O)n2[n-]cnc2n1 ZINC000353761587 415651128 /nfs/dbraw/zinc/65/11/28/415651128.db2.gz NMMWBGHTXDMCJV-UHFFFAOYSA-N -1 1 311.301 0.995 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCc1cccc(CO)c1 ZINC000343655451 415673672 /nfs/dbraw/zinc/67/36/72/415673672.db2.gz CXNHYVPCKPVROP-UHFFFAOYSA-N -1 1 315.329 0.326 20 0 DCADMM CCC[C@H](NC(=O)CCc1nc([C@@H](C)OC)no1)c1nn[n-]n1 ZINC000343746015 415708509 /nfs/dbraw/zinc/70/85/09/415708509.db2.gz OWPYAVYCLLEIFS-BDAKNGLRSA-N -1 1 323.357 0.880 20 0 DCADMM CC(C)c1csc(CNC(=O)c2cc(=O)n3[n-]cnc3n2)n1 ZINC000353992403 415710923 /nfs/dbraw/zinc/71/09/23/415710923.db2.gz HSAKVVHGABWTNA-UHFFFAOYSA-N -1 1 318.362 0.928 20 0 DCADMM O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000333798393 415739967 /nfs/dbraw/zinc/73/99/67/415739967.db2.gz FTUNXOHXQLWPRB-AXFHLTTASA-N -1 1 324.406 0.903 20 0 DCADMM CCS(=O)(=O)N(C)CCCNC(=O)c1c([O-])cccc1F ZINC000119940836 415757765 /nfs/dbraw/zinc/75/77/65/415757765.db2.gz KBZZWVWBBGBTIC-UHFFFAOYSA-N -1 1 318.370 0.933 20 0 DCADMM COCC1(CCNC(=O)CNC(=O)c2ncccc2[O-])CCC1 ZINC000355112581 415843917 /nfs/dbraw/zinc/84/39/17/415843917.db2.gz YWNMHQAYSBMPIL-UHFFFAOYSA-N -1 1 321.377 0.840 20 0 DCADMM CCn1cnnc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000356179167 415875267 /nfs/dbraw/zinc/87/52/67/415875267.db2.gz FQMYIAZOBOOIER-UHFFFAOYSA-N -1 1 315.293 0.608 20 0 DCADMM CCn1cnnc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000356179167 415875271 /nfs/dbraw/zinc/87/52/71/415875271.db2.gz FQMYIAZOBOOIER-UHFFFAOYSA-N -1 1 315.293 0.608 20 0 DCADMM CSC1(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000356222013 415886612 /nfs/dbraw/zinc/88/66/12/415886612.db2.gz NCJHKZUBVMHNDS-UHFFFAOYSA-N -1 1 302.377 0.874 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(OC)CCCC2)o1 ZINC000295246464 415886842 /nfs/dbraw/zinc/88/68/42/415886842.db2.gz DPBBSPIEZIXCKQ-UHFFFAOYSA-N -1 1 316.379 0.877 20 0 DCADMM C[C@H](C[S@@](C)=O)N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000344392293 415904290 /nfs/dbraw/zinc/90/42/90/415904290.db2.gz LPDZGHORMNXIBG-IJSAXESFSA-N -1 1 310.379 0.513 20 0 DCADMM CSC[C@@H]1CCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000344163188 415854180 /nfs/dbraw/zinc/85/41/80/415854180.db2.gz ZZXWKVAIJTVXAO-JTQLQIEISA-N -1 1 309.391 0.871 20 0 DCADMM CC[C@H]1C[C@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCO1 ZINC000356517062 415939463 /nfs/dbraw/zinc/93/94/63/415939463.db2.gz TYZKFIQLXBTQMQ-SFYZADRCSA-N -1 1 302.356 0.352 20 0 DCADMM CC[C@H]1C[C@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CCO1 ZINC000356517062 415939465 /nfs/dbraw/zinc/93/94/65/415939465.db2.gz TYZKFIQLXBTQMQ-SFYZADRCSA-N -1 1 302.356 0.352 20 0 DCADMM Cc1ccc2c([O-])c(C(=O)NC[C@H]3CC[C@@H](CO)O3)cnc2n1 ZINC000356562075 415950914 /nfs/dbraw/zinc/95/09/14/415950914.db2.gz ZLQQVLRJWAEHFX-MNOVXSKESA-N -1 1 317.345 0.914 20 0 DCADMM Cc1ccc2c(n1)[n-]cc(C(=O)NC[C@H]1CC[C@@H](CO)O1)c2=O ZINC000356562075 415950916 /nfs/dbraw/zinc/95/09/16/415950916.db2.gz ZLQQVLRJWAEHFX-MNOVXSKESA-N -1 1 317.345 0.914 20 0 DCADMM COCCOCCN(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000356613547 415962067 /nfs/dbraw/zinc/96/20/67/415962067.db2.gz YCGXBOKIULQZQA-UHFFFAOYSA-N -1 1 308.338 0.409 20 0 DCADMM O=C(NCCc1ccc2c[nH]nc2c1)c1cc(=O)n2[n-]cnc2n1 ZINC000356651134 415969098 /nfs/dbraw/zinc/96/90/98/415969098.db2.gz XAEPKXWMDSNBNU-UHFFFAOYSA-N -1 1 323.316 0.266 20 0 DCADMM CN(CCc1nccs1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000344677731 415969587 /nfs/dbraw/zinc/96/95/87/415969587.db2.gz OIRAPJSVOGBCQS-UHFFFAOYSA-N -1 1 320.374 0.675 20 0 DCADMM C[C@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)c1ncn[n-]1 ZINC000153011517 415972621 /nfs/dbraw/zinc/97/26/21/415972621.db2.gz MRQDFZLYNITMQU-SNVBAGLBSA-N -1 1 320.374 0.946 20 0 DCADMM C[C@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)c1nc[n-]n1 ZINC000153011517 415972623 /nfs/dbraw/zinc/97/26/23/415972623.db2.gz MRQDFZLYNITMQU-SNVBAGLBSA-N -1 1 320.374 0.946 20 0 DCADMM CCOc1ccccc1-n1nnnc1SCc1nn[n-]n1 ZINC000298288705 416000096 /nfs/dbraw/zinc/00/00/96/416000096.db2.gz DFXLPWJLPBSLQP-UHFFFAOYSA-N -1 1 304.339 0.866 20 0 DCADMM CCOC(=O)CC[C@H](C)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000345104640 416044119 /nfs/dbraw/zinc/04/41/19/416044119.db2.gz AREJJCKLFJKAPA-JTQLQIEISA-N -1 1 323.349 0.365 20 0 DCADMM CC(=O)c1ccc(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000338113645 416045984 /nfs/dbraw/zinc/04/59/84/416045984.db2.gz CJNKQIQUMUJGHF-UHFFFAOYSA-N -1 1 322.346 0.592 20 0 DCADMM CC(=O)c1ccc(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000338113645 416045987 /nfs/dbraw/zinc/04/59/87/416045987.db2.gz CJNKQIQUMUJGHF-UHFFFAOYSA-N -1 1 322.346 0.592 20 0 DCADMM COC(=O)Cn1ncc([N-]S(=O)(=O)C[C@@H](C)OC)c1C ZINC000337864736 416016911 /nfs/dbraw/zinc/01/69/11/416016911.db2.gz NSBFRAAMIHPCHV-MRVPVSSYSA-N -1 1 305.356 0.141 20 0 DCADMM C[C@@H]1C[C@H](CCNC(=O)CNC(=O)c2ncccc2[O-])CCO1 ZINC000345010142 416026974 /nfs/dbraw/zinc/02/69/74/416026974.db2.gz NGGLIXYBQZMILC-VXGBXAGGSA-N -1 1 321.377 0.838 20 0 DCADMM Cc1nc(C)c(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)nc1C ZINC000345361617 416084166 /nfs/dbraw/zinc/08/41/66/416084166.db2.gz ZBYXRXMDAOIBFI-UHFFFAOYSA-N -1 1 310.339 0.176 20 0 DCADMM Cc1nc(C)c(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)nc1C ZINC000345361617 416084171 /nfs/dbraw/zinc/08/41/71/416084171.db2.gz ZBYXRXMDAOIBFI-UHFFFAOYSA-N -1 1 310.339 0.176 20 0 DCADMM CCC[C@](C)(NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C(=O)OC ZINC000357592890 416102197 /nfs/dbraw/zinc/10/21/97/416102197.db2.gz DSFZPBWLPBUXOR-ZDUSSCGKSA-N -1 1 313.310 0.358 20 0 DCADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(C(=O)OC)CC2)o1 ZINC000345509461 416106236 /nfs/dbraw/zinc/10/62/36/416106236.db2.gz RQHIAROMHGKVFM-UHFFFAOYSA-N -1 1 317.319 0.440 20 0 DCADMM Cc1nn(C)c2ncc(C(=O)NCCCc3nc(=O)[n-][nH]3)cc12 ZINC000176262345 416123019 /nfs/dbraw/zinc/12/30/19/416123019.db2.gz OKNILTRSSLUIHK-UHFFFAOYSA-N -1 1 315.337 0.051 20 0 DCADMM O=S(=O)(C[C@@H](O)CO)c1n[n-]c(CCC2CCCC2)n1 ZINC000178558885 416166393 /nfs/dbraw/zinc/16/63/93/416166393.db2.gz ORMMVXUPXSJHHS-JTQLQIEISA-N -1 1 303.384 0.054 20 0 DCADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]C2)o1 ZINC000178893078 416176473 /nfs/dbraw/zinc/17/64/73/416176473.db2.gz YSKPOHZXNASEHK-SECBINFHSA-N -1 1 302.352 0.487 20 0 DCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccnn2)o1 ZINC000346075062 416187342 /nfs/dbraw/zinc/18/73/42/416187342.db2.gz YPUXPTUHOAYSNT-UHFFFAOYSA-N -1 1 324.362 1.399 20 0 DCADMM COC[C@@](C)([N-]S(=O)(=O)N1CCCC[C@H]1C)C(=O)OC ZINC000340887140 416195789 /nfs/dbraw/zinc/19/57/89/416195789.db2.gz OJNQMXJJAJIYHW-ZYHUDNBSSA-N -1 1 308.400 0.273 20 0 DCADMM CN1CC[C@](O)(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000358203175 416210966 /nfs/dbraw/zinc/21/09/66/416210966.db2.gz RXTRUFRFSGERBC-LBPRGKRZSA-N -1 1 324.324 0.449 20 0 DCADMM NS(=O)(=O)Cc1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000358352344 416225998 /nfs/dbraw/zinc/22/59/98/416225998.db2.gz LJVJWXIPZFDBFB-UHFFFAOYSA-N -1 1 307.331 0.250 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC=C(COC)CC2)o1 ZINC000331064737 416258458 /nfs/dbraw/zinc/25/84/58/416258458.db2.gz PFHZDYNRMZYGDO-UHFFFAOYSA-N -1 1 314.363 0.606 20 0 DCADMM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000352196773 416304011 /nfs/dbraw/zinc/30/40/11/416304011.db2.gz FICNCNHPWXGLEX-RKDXNWHRSA-N -1 1 324.410 0.253 20 0 DCADMM CC(C)CN1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1=O ZINC000331222529 416289072 /nfs/dbraw/zinc/28/90/72/416289072.db2.gz BTJGHJOYNDHMIQ-UHFFFAOYSA-N -1 1 304.346 0.902 20 0 DCADMM COCc1ncc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c(N)n1 ZINC000352126287 416291129 /nfs/dbraw/zinc/29/11/29/416291129.db2.gz RPGMLVBVLQOLJL-UHFFFAOYSA-N -1 1 317.231 0.594 20 0 DCADMM C[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])C[C@@H](C2CC2)O1 ZINC000352155209 416296048 /nfs/dbraw/zinc/29/60/48/416296048.db2.gz DEMIUAHFVQWALY-GWCFXTLKSA-N -1 1 319.361 0.543 20 0 DCADMM C[C@H](CC(=O)NC(C)(C)c1nn[n-]n1)NC(=O)C1CCCC1 ZINC000359782209 416358381 /nfs/dbraw/zinc/35/83/81/416358381.db2.gz GUNNPTGCKRHGKD-SECBINFHSA-N -1 1 308.386 0.636 20 0 DCADMM CC(C)(NC(=O)c1ccc(S(C)(=O)=O)cc1)c1nn[n-]n1 ZINC000359781212 416358471 /nfs/dbraw/zinc/35/84/71/416358471.db2.gz FMOZJMFXHIPKLE-UHFFFAOYSA-N -1 1 309.351 0.268 20 0 DCADMM Cc1cccc(N2C[C@H](C(=O)Nc3nnn[n-]3)CC2=O)c1C ZINC000264039830 416339096 /nfs/dbraw/zinc/33/90/96/416339096.db2.gz VLJMOGJYGYZCMB-SNVBAGLBSA-N -1 1 300.322 0.808 20 0 DCADMM Cc1cccc(N2C[C@H](C(=O)Nc3nn[n-]n3)CC2=O)c1C ZINC000264039830 416339097 /nfs/dbraw/zinc/33/90/97/416339097.db2.gz VLJMOGJYGYZCMB-SNVBAGLBSA-N -1 1 300.322 0.808 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)n1cccn1 ZINC000265208169 416341060 /nfs/dbraw/zinc/34/10/60/416341060.db2.gz LHDZODNGHYQNGS-LLVKDONJSA-N -1 1 314.349 0.713 20 0 DCADMM 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BIAGRKUYXIFDLM-VIFPVBQESA-N -1 1 321.362 0.953 20 0 DCADMM CC(C)(C)C(=O)NCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000819899373 607109612 /nfs/dbraw/zinc/10/96/12/607109612.db2.gz UDXSYQZYUZDZDN-UHFFFAOYSA-N -1 1 309.355 0.424 20 0 DCADMM CC(C)(C)C(=O)NCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000819899373 607109614 /nfs/dbraw/zinc/10/96/14/607109614.db2.gz UDXSYQZYUZDZDN-UHFFFAOYSA-N -1 1 309.355 0.424 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1ccccc1 ZINC000823126311 607206143 /nfs/dbraw/zinc/20/61/43/607206143.db2.gz HUPUCHILLBKNGB-GFCCVEGCSA-N -1 1 324.348 0.822 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cc2ccccc2o1 ZINC000823131264 607208314 /nfs/dbraw/zinc/20/83/14/607208314.db2.gz DUUHSKALELUCNY-UHFFFAOYSA-N -1 1 324.304 0.521 20 0 DCADMM CCCC1CCC(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821040424 607210157 /nfs/dbraw/zinc/21/01/57/607210157.db2.gz LPDQCQKROMPGCS-UHFFFAOYSA-N -1 1 318.385 0.933 20 0 DCADMM CC(C)[C@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820037801 607214081 /nfs/dbraw/zinc/21/40/81/607214081.db2.gz IEIHGAUVVZKNMP-QWRGUYRKSA-N -1 1 318.385 0.789 20 0 DCADMM CC(C)c1cccnc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824353035 607778450 /nfs/dbraw/zinc/77/84/50/607778450.db2.gz VEMUJZYVJHIZJE-UHFFFAOYSA-N -1 1 313.325 0.615 20 0 DCADMM C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824699057 607778885 /nfs/dbraw/zinc/77/88/85/607778885.db2.gz PSKXYRVKXBTUPC-GXSJLCMTSA-N -1 1 302.338 0.637 20 0 DCADMM C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824699057 607778886 /nfs/dbraw/zinc/77/88/86/607778886.db2.gz PSKXYRVKXBTUPC-GXSJLCMTSA-N -1 1 302.338 0.637 20 0 DCADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000825132846 607919808 /nfs/dbraw/zinc/91/98/08/607919808.db2.gz DTVFNMVJIRZZDV-VHSXEESVSA-N -1 1 320.357 0.679 20 0 DCADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000825132846 607919809 /nfs/dbraw/zinc/91/98/09/607919809.db2.gz DTVFNMVJIRZZDV-VHSXEESVSA-N -1 1 320.357 0.679 20 0 DCADMM CC(=O)N[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)C ZINC000823988819 607997758 /nfs/dbraw/zinc/99/77/58/607997758.db2.gz JYDISJYUWRHOBF-GFCCVEGCSA-N -1 1 318.337 0.672 20 0 DCADMM NC(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826391856 607998890 /nfs/dbraw/zinc/99/88/90/607998890.db2.gz DQECYNMVNUVJQV-VIFPVBQESA-N -1 1 317.309 0.054 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC12CCCCC2 ZINC000826425072 608009672 /nfs/dbraw/zinc/00/96/72/608009672.db2.gz OPLIGMOIULPUKD-UHFFFAOYSA-N -1 1 316.369 0.784 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cc(F)ccc1F ZINC000826425206 608013254 /nfs/dbraw/zinc/01/32/54/608013254.db2.gz UIAWMGJGTIUMOV-UHFFFAOYSA-N -1 1 305.248 0.980 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cc(F)ccc1F ZINC000826425206 608013255 /nfs/dbraw/zinc/01/32/55/608013255.db2.gz UIAWMGJGTIUMOV-UHFFFAOYSA-N -1 1 305.248 0.980 20 0 DCADMM Cc1cccn2c(=O)cc(Cn3ccnc3-c3nnn[n-]3)nc12 ZINC000826308058 608014221 /nfs/dbraw/zinc/01/42/21/608014221.db2.gz HUCBPIXVWZKFSJ-UHFFFAOYSA-N -1 1 308.305 0.428 20 0 DCADMM Cc1cccn2c(=O)cc(Cn3ccnc3-c3nn[n-]n3)nc12 ZINC000826308058 608014222 /nfs/dbraw/zinc/01/42/22/608014222.db2.gz HUCBPIXVWZKFSJ-UHFFFAOYSA-N -1 1 308.305 0.428 20 0 DCADMM O=C(O[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000826462347 608076800 /nfs/dbraw/zinc/07/68/00/608076800.db2.gz VYUOXOQONKOZOW-MRVPVSSYSA-N -1 1 319.346 0.848 20 0 DCADMM O=C(O[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000826462347 608076801 /nfs/dbraw/zinc/07/68/01/608076801.db2.gz VYUOXOQONKOZOW-MRVPVSSYSA-N -1 1 319.346 0.848 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc3ccccc3o2)c1=O ZINC000826356677 608095793 /nfs/dbraw/zinc/09/57/93/608095793.db2.gz AOAISMQIIWLLMP-UHFFFAOYSA-N -1 1 324.300 0.522 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(F)cc2F)c1=O ZINC000826357282 608096098 /nfs/dbraw/zinc/09/60/98/608096098.db2.gz YTCFZCFHSYMEQT-UHFFFAOYSA-N -1 1 320.259 0.054 20 0 DCADMM CC[C@@H]1C(=O)NCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825176552 608188684 /nfs/dbraw/zinc/18/86/84/608188684.db2.gz XQGUYNPGMLNXMR-RXMQYKEDSA-N -1 1 313.774 0.691 20 0 DCADMM CC[C@@H]1C(=O)NCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825176552 608188685 /nfs/dbraw/zinc/18/86/85/608188685.db2.gz XQGUYNPGMLNXMR-RXMQYKEDSA-N -1 1 313.774 0.691 20 0 DCADMM CCC[C@H]1C(=O)NCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825247754 608257699 /nfs/dbraw/zinc/25/76/99/608257699.db2.gz HEKQMRLLKHIVGV-LBPRGKRZSA-N -1 1 301.354 0.362 20 0 DCADMM O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426244 608383082 /nfs/dbraw/zinc/38/30/82/608383082.db2.gz IPTNGBSEXOHHEM-ZDUSSCGKSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426244 608383084 /nfs/dbraw/zinc/38/30/84/608383084.db2.gz IPTNGBSEXOHHEM-ZDUSSCGKSA-N -1 1 324.344 0.595 20 0 DCADMM CCCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825226307 608398157 /nfs/dbraw/zinc/39/81/57/608398157.db2.gz ZUOOLDZLIVDMIK-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825226307 608398159 /nfs/dbraw/zinc/39/81/59/608398159.db2.gz ZUOOLDZLIVDMIK-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824177785 608409866 /nfs/dbraw/zinc/40/98/66/608409866.db2.gz KJFXVBGZLDOBEF-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824177785 608409868 /nfs/dbraw/zinc/40/98/68/608409868.db2.gz KJFXVBGZLDOBEF-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM Oc1ccc2c(c1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826511283 608410487 /nfs/dbraw/zinc/41/04/87/608410487.db2.gz JLDFJXJUEGKAHJ-UHFFFAOYSA-N -1 1 309.333 0.968 20 0 DCADMM Oc1ccc2c(c1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826511283 608410489 /nfs/dbraw/zinc/41/04/89/608410489.db2.gz JLDFJXJUEGKAHJ-UHFFFAOYSA-N -1 1 309.333 0.968 20 0 DCADMM COc1ccccc1[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826219346 608419996 /nfs/dbraw/zinc/41/99/96/608419996.db2.gz ZCCIAENWANXEJQ-NSHDSACASA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccccc1[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826219346 608419997 /nfs/dbraw/zinc/41/99/97/608419997.db2.gz ZCCIAENWANXEJQ-NSHDSACASA-N -1 1 313.321 0.811 20 0 DCADMM NC(=O)[C@H]1CCCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826390056 608434328 /nfs/dbraw/zinc/43/43/28/608434328.db2.gz OVYPPYYHRNHJBU-DTWKUNHWSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@H]1CCCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826390056 608434329 /nfs/dbraw/zinc/43/43/29/608434329.db2.gz OVYPPYYHRNHJBU-DTWKUNHWSA-N -1 1 302.342 0.503 20 0 DCADMM CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC000823973212 608437013 /nfs/dbraw/zinc/43/70/13/608437013.db2.gz JFMNKLPIMLLVIQ-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC000823973212 608437014 /nfs/dbraw/zinc/43/70/14/608437014.db2.gz JFMNKLPIMLLVIQ-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824305446 608548658 /nfs/dbraw/zinc/54/86/58/608548658.db2.gz QDRYQAHWXIJXRD-UHFFFAOYSA-N -1 1 307.362 0.154 20 0 DCADMM CC(C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824305446 608548659 /nfs/dbraw/zinc/54/86/59/608548659.db2.gz QDRYQAHWXIJXRD-UHFFFAOYSA-N -1 1 307.362 0.154 20 0 DCADMM O=C(NCc1cccc(=O)[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000826442594 609263667 /nfs/dbraw/zinc/26/36/67/609263667.db2.gz CGPUYGUVPXEMEB-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(NCc1cccc(=O)[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000826442594 609263669 /nfs/dbraw/zinc/26/36/69/609263669.db2.gz CGPUYGUVPXEMEB-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM CC[C@@H]1C[C@@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)CCO1 ZINC000825182348 609435188 /nfs/dbraw/zinc/43/51/88/609435188.db2.gz IDYFPNOWKIMHLD-DTWKUNHWSA-N -1 1 305.342 0.881 20 0 DCADMM CC[C@H]1C[C@@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)CCO1 ZINC000825182349 609435442 /nfs/dbraw/zinc/43/54/42/609435442.db2.gz IDYFPNOWKIMHLD-IUCAKERBSA-N -1 1 305.342 0.881 20 0 DCADMM CC[C@]1(C)COCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825165041 609469358 /nfs/dbraw/zinc/46/93/58/609469358.db2.gz QJAVNWQYGAAQQU-CQSZACIVSA-N -1 1 320.353 0.733 20 0 DCADMM CC[C@]1(C)COCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825165041 609469360 /nfs/dbraw/zinc/46/93/60/609469360.db2.gz QJAVNWQYGAAQQU-CQSZACIVSA-N -1 1 320.353 0.733 20 0 DCADMM COCC(=O)N1C[C@H](CNC(=O)c2ncccc2[O-])C[C@H]1C ZINC001009936935 660691173 /nfs/dbraw/zinc/69/11/73/660691173.db2.gz CPWUIFOOOKIOKK-MNOVXSKESA-N -1 1 307.350 0.400 20 0 DCADMM CC(=O)N[C@H]1C[C@H](CNC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000979772802 660815597 /nfs/dbraw/zinc/81/55/97/660815597.db2.gz AEQXUWQLONEOPZ-HOMQSWHASA-N -1 1 304.350 0.704 20 0 DCADMM O=C(NC[C@@H]1CCCN1[C@@H]1CCCNC1=O)c1ncccc1[O-] ZINC001027844761 660829253 /nfs/dbraw/zinc/82/92/53/660829253.db2.gz XIUYNLFGCDSNBQ-NWDGAFQWSA-N -1 1 318.377 0.260 20 0 DCADMM C[C@H](C(=O)N(C)C)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027844689 660829622 /nfs/dbraw/zinc/82/96/22/660829622.db2.gz VVTMCDYQJFSJKH-VXGBXAGGSA-N -1 1 320.393 0.458 20 0 DCADMM 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ZINC001029907318 662555536 /nfs/dbraw/zinc/55/55/36/662555536.db2.gz HRTOHIMKLBHEFL-LLVKDONJSA-N -1 1 318.381 0.361 20 0 DCADMM C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1cncc(F)c1 ZINC000986131587 662559998 /nfs/dbraw/zinc/55/99/98/662559998.db2.gz DZNLWVFBJOVJML-GZMMTYOYSA-N -1 1 320.328 0.437 20 0 DCADMM Cc1ccn(C)c1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000986240168 662575885 /nfs/dbraw/zinc/57/58/85/662575885.db2.gz YCBWQBGEVODHDQ-WDEREUQCSA-N -1 1 318.381 0.550 20 0 DCADMM C[C@@H](NC(=O)c1cnn[nH]1)C1CCN(C(=O)C(C)(F)F)CC1 ZINC000986738861 662617928 /nfs/dbraw/zinc/61/79/28/662617928.db2.gz GXNDVFMGJJETQG-MRVPVSSYSA-N -1 1 315.324 0.817 20 0 DCADMM CCn1cccc1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000987537095 662686553 /nfs/dbraw/zinc/68/65/53/662686553.db2.gz LNKTZZCORCLWFQ-QWRGUYRKSA-N -1 1 318.381 0.725 20 0 DCADMM C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1ccccc1 ZINC000987860249 662713094 /nfs/dbraw/zinc/71/30/94/662713094.db2.gz XAYLHDUCBCAVLH-PWSUYJOCSA-N 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ZINC000988707849 662834349 /nfs/dbraw/zinc/83/43/49/662834349.db2.gz PIPFXMAPBGOHOT-KWQFWETISA-N -1 1 305.338 0.805 20 0 DCADMM Cn1ccc(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC000937866125 662835536 /nfs/dbraw/zinc/83/55/36/662835536.db2.gz UIJNEAISMIJYKH-JTQLQIEISA-N -1 1 315.333 0.165 20 0 DCADMM Cn1cncc1C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000937867392 662835793 /nfs/dbraw/zinc/83/57/93/662835793.db2.gz XTTAFWCMDIUPOQ-JTQLQIEISA-N -1 1 315.333 0.165 20 0 DCADMM C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1ccns1 ZINC000988911351 662871470 /nfs/dbraw/zinc/87/14/70/662871470.db2.gz GTJXLWKQLWSYAR-SFYZADRCSA-N -1 1 308.367 0.360 20 0 DCADMM Cc1nocc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000989390242 662908779 /nfs/dbraw/zinc/90/87/79/662908779.db2.gz NGNMDNYFWBLZBJ-IONNQARKSA-N -1 1 306.326 0.200 20 0 DCADMM C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CC(C)(F)F ZINC000989413073 662915405 /nfs/dbraw/zinc/91/54/05/662915405.db2.gz BDGHWPXAORJQQY-HTQZYQBOSA-N -1 1 303.313 0.635 20 0 DCADMM CCc1nocc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000989421511 662916526 /nfs/dbraw/zinc/91/65/26/662916526.db2.gz JNFLGDCJQQFGGT-RKDXNWHRSA-N -1 1 320.353 0.454 20 0 DCADMM CCc1oncc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000989508032 662954956 /nfs/dbraw/zinc/95/49/56/662954956.db2.gz VQXPYFBZZQDJRA-RKDXNWHRSA-N -1 1 320.353 0.454 20 0 DCADMM Cn1[n-]c(CN2CC[C@]3(NC(=O)C4CC4)CCC[C@H]23)nc1=O ZINC000989886645 662986105 /nfs/dbraw/zinc/98/61/05/662986105.db2.gz ADJKQAHNXCUBOO-XHDPSFHLSA-N -1 1 305.382 0.132 20 0 DCADMM Cc1[nH]nc(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)c1C ZINC000990546857 663064547 /nfs/dbraw/zinc/06/45/47/663064547.db2.gz CUWMCBLNFBBIHC-UHFFFAOYSA-N -1 1 315.333 0.382 20 0 DCADMM C[C@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)N1CCc2ccccc21 ZINC000898750678 663106212 /nfs/dbraw/zinc/10/62/12/663106212.db2.gz IPWFIGZNAAXCOR-SNVBAGLBSA-N -1 1 314.345 0.955 20 0 DCADMM O=C(c1ccc([O-])c(F)c1)N1CCC(O)(COCCO)CC1 ZINC000899581568 663155354 /nfs/dbraw/zinc/15/53/54/663155354.db2.gz UXHPCUPEEJOFRY-UHFFFAOYSA-N -1 1 313.325 0.507 20 0 DCADMM O=C(N[C@H]1CCS(=O)(=O)C1)c1c([O-])cnc2c(F)cccc21 ZINC000899992518 663207754 /nfs/dbraw/zinc/20/77/54/663207754.db2.gz DJMAPESSMXBZKM-QMMMGPOBSA-N -1 1 324.333 0.996 20 0 DCADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CCS(=O)(=O)CC1 ZINC000900534563 663253993 /nfs/dbraw/zinc/25/39/93/663253993.db2.gz HGRYYIAXQOBIIC-UHFFFAOYSA-N -1 1 324.333 0.950 20 0 DCADMM CO[N-]C(=O)CNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000900702035 663273105 /nfs/dbraw/zinc/27/31/05/663273105.db2.gz XAQBCLAHDSOHNE-CQSZACIVSA-N -1 1 309.366 0.528 20 0 DCADMM CN1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1=O ZINC000900796274 663281183 /nfs/dbraw/zinc/28/11/83/663281183.db2.gz KZTPTRMXQMTPPR-UHFFFAOYSA-N -1 1 303.293 0.994 20 0 DCADMM C[C@H](C(=O)NC1CN(C(=O)c2ncccc2[O-])C1)n1cccc1 ZINC000990862956 663292294 /nfs/dbraw/zinc/29/22/94/663292294.db2.gz YTOAASVVOUUYCU-LLVKDONJSA-N -1 1 314.345 0.791 20 0 DCADMM CN[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1)c1cnn(C)c1 ZINC000901031237 663305473 /nfs/dbraw/zinc/30/54/73/663305473.db2.gz SGHYLDLISNYYOB-JTQLQIEISA-N -1 1 314.392 0.247 20 0 DCADMM COCCn1c(=O)cc([O-])nc1SC/C=C(\C)C(=O)OC ZINC000901654913 663360282 /nfs/dbraw/zinc/36/02/82/663360282.db2.gz GEZZSOUYOIHXTI-RUDMXATFSA-N -1 1 314.363 0.807 20 0 DCADMM C[C@@H]1CCN(C(=O)C(C)(C)CN2CCOCC2)C[C@H]1C(=O)[O-] ZINC000901693007 663362757 /nfs/dbraw/zinc/36/27/57/663362757.db2.gz AZEIFMPQBRJVHS-CHWSQXEVSA-N -1 1 312.410 0.914 20 0 DCADMM Cc1cc(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)n(C)n1 ZINC000990969852 663394611 /nfs/dbraw/zinc/39/46/11/663394611.db2.gz QDIJBWBMMGQBTN-UHFFFAOYSA-N -1 1 315.333 0.084 20 0 DCADMM C[C@@H]1CCCC[C@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001031937033 665958531 /nfs/dbraw/zinc/95/85/31/665958531.db2.gz SCRSYSUVSYJQII-DGCLKSJQSA-N -1 1 321.425 0.483 20 0 DCADMM CCn1cnc(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)c1 ZINC000990969144 663394862 /nfs/dbraw/zinc/39/48/62/663394862.db2.gz KJPKBPRHYUTJHM-UHFFFAOYSA-N -1 1 315.333 0.258 20 0 DCADMM O=C(CC1(O)CCC1)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990970014 663396508 /nfs/dbraw/zinc/39/65/08/663396508.db2.gz RMCWCMHHYYEPLT-UHFFFAOYSA-N -1 1 305.334 0.033 20 0 DCADMM Cc1nnccc1C(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990970578 663396972 /nfs/dbraw/zinc/39/69/72/663396972.db2.gz VZPZWZYSVZQQSF-UHFFFAOYSA-N -1 1 313.317 0.140 20 0 DCADMM CO[C@@H](C(=O)N1CC(NC(=O)c2ncccc2[O-])C1)C(C)C ZINC000990972389 663397723 /nfs/dbraw/zinc/39/77/23/663397723.db2.gz OOOCYXAYTQWMMZ-CYBMUJFWSA-N -1 1 307.350 0.399 20 0 DCADMM O=C(NC1CN(C(=O)C2(C3CC3)CC2)C1)c1ncccc1[O-] ZINC000990979967 663400380 /nfs/dbraw/zinc/40/03/80/663400380.db2.gz XARDIXRYUCQKOI-UHFFFAOYSA-N -1 1 301.346 0.918 20 0 DCADMM CC[C@@H](C)[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000903605948 663469093 /nfs/dbraw/zinc/46/90/93/663469093.db2.gz GGCHICRPKFKDEX-PWSUYJOCSA-N -1 1 304.412 0.596 20 0 DCADMM O=C([C@@H]1CCOC2(CCCC2)C1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000906618342 663624244 /nfs/dbraw/zinc/62/42/44/663624244.db2.gz SLUCYAOPBLWQLF-NEPJUHHUSA-N -1 1 321.381 0.839 20 0 DCADMM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cnc(C2CC2)[n-]c1=O ZINC000907272254 663679957 /nfs/dbraw/zinc/67/99/57/663679957.db2.gz WHCFOHMLNBZOOV-VIFPVBQESA-N -1 1 316.361 0.800 20 0 DCADMM CCO[C@H]1COCC[C@@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907369635 663689488 /nfs/dbraw/zinc/68/94/88/663689488.db2.gz NWHAZSZMDAPKJB-RYUDHWBXSA-N -1 1 307.350 0.983 20 0 DCADMM Cn1cnnc1[C@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000907371592 663689843 /nfs/dbraw/zinc/68/98/43/663689843.db2.gz ISBZDECCDUVCTG-VIFPVBQESA-N -1 1 318.305 0.105 20 0 DCADMM O=C(CCCn1cccn1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907473917 663697056 /nfs/dbraw/zinc/69/70/56/663697056.db2.gz IBMSSOIJNJGPBE-SNVBAGLBSA-N -1 1 307.383 0.493 20 0 DCADMM CC(C)n1cnc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000907477036 663697359 /nfs/dbraw/zinc/69/73/59/663697359.db2.gz DUOHURPZPHLBJB-JTQLQIEISA-N -1 1 307.383 0.907 20 0 DCADMM C[C@@H](CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)n1ccnc1 ZINC000907481779 663701615 /nfs/dbraw/zinc/70/16/15/663701615.db2.gz YUIUECZKEHDMGX-VHSXEESVSA-N -1 1 307.383 0.664 20 0 DCADMM C[C@H](CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1cnn(C)c1 ZINC000907481682 663701693 /nfs/dbraw/zinc/70/16/93/663701693.db2.gz XXLVOLNRPGFWIZ-MWLCHTKSSA-N -1 1 321.410 0.744 20 0 DCADMM CCCN1C[C@@H](C(=O)N2CCSC[C@H]2c2nn[n-]n2)CC1=O ZINC000907481677 663701710 /nfs/dbraw/zinc/70/17/10/663701710.db2.gz XWTJGLNAMPPVDQ-UWVGGRQHSA-N -1 1 324.410 0.075 20 0 DCADMM CC(C)CN1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1=O ZINC000907539672 663702866 /nfs/dbraw/zinc/70/28/66/663702866.db2.gz KKDRIDDZBJWSOQ-UHFFFAOYSA-N -1 1 318.377 1.000 20 0 DCADMM O=C(N[C@@H](CO)CN1CCCC1)c1s[n-]c(=O)c1Cl ZINC000908205547 663743618 /nfs/dbraw/zinc/74/36/18/663743618.db2.gz WTYJKBWACYOACE-SSDOTTSWSA-N -1 1 305.787 0.689 20 0 DCADMM CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000908233804 663745115 /nfs/dbraw/zinc/74/51/15/663745115.db2.gz 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/nfs/dbraw/zinc/96/65/01/1163966501.db2.gz HUTZNVYMCNARPP-RXMQYKEDSA-N -1 1 320.342 0.334 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1csnn1 ZINC001575302281 1163966508 /nfs/dbraw/zinc/96/65/08/1163966508.db2.gz HUTZNVYMCNARPP-RXMQYKEDSA-N -1 1 320.342 0.334 20 0 DCADMM C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)C1N=NC(=O)N1C ZINC001575346447 1163983043 /nfs/dbraw/zinc/98/30/43/1163983043.db2.gz XPMGIRGIGLXCBV-YFKPBYRVSA-N -1 1 320.338 0.253 20 0 DCADMM C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)C1N=NC(=O)N1C ZINC001575346447 1163983048 /nfs/dbraw/zinc/98/30/48/1163983048.db2.gz XPMGIRGIGLXCBV-YFKPBYRVSA-N -1 1 320.338 0.253 20 0 DCADMM CC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC[S@]1=O ZINC001575693910 1164106928 /nfs/dbraw/zinc/10/69/28/1164106928.db2.gz SYJGDNPKYXXQEU-OAQYLSRUSA-N -1 1 307.383 0.394 20 0 DCADMM CC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC[S@]1=O ZINC001575693910 1164106932 /nfs/dbraw/zinc/10/69/32/1164106932.db2.gz SYJGDNPKYXXQEU-OAQYLSRUSA-N -1 1 307.383 0.394 20 0 DCADMM C[C@@H](CNC(=O)C1CC(C)C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575957713 1164192533 /nfs/dbraw/zinc/19/25/33/1164192533.db2.gz HYDTXRQENGGLFU-KYHHOPLUSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)C1CC(C)C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575957713 1164192536 /nfs/dbraw/zinc/19/25/36/1164192536.db2.gz HYDTXRQENGGLFU-KYHHOPLUSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576084387 1164237503 /nfs/dbraw/zinc/23/75/03/1164237503.db2.gz JHLMMFYSZGVAEU-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576084387 1164237510 /nfs/dbraw/zinc/23/75/10/1164237510.db2.gz JHLMMFYSZGVAEU-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM CCC(=O)N(CC)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576410383 1164330448 /nfs/dbraw/zinc/33/04/48/1164330448.db2.gz INHWHMIAQULHEN-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N(CC)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576410383 1164330453 /nfs/dbraw/zinc/33/04/53/1164330453.db2.gz INHWHMIAQULHEN-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001576409277 1164330824 /nfs/dbraw/zinc/33/08/24/1164330824.db2.gz DBZFMUJXBHPNDF-LLVKDONJSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001576409277 1164330830 /nfs/dbraw/zinc/33/08/30/1164330830.db2.gz DBZFMUJXBHPNDF-LLVKDONJSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576414720 1164333368 /nfs/dbraw/zinc/33/33/68/1164333368.db2.gz DJSROCOKXRRORE-AWEZNQCLSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576414720 1164333377 /nfs/dbraw/zinc/33/33/77/1164333377.db2.gz DJSROCOKXRRORE-AWEZNQCLSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001576425929 1164340801 /nfs/dbraw/zinc/34/08/01/1164340801.db2.gz JGCLIHBIPNKZHB-VHSXEESVSA-N -1 1 316.369 0.138 20 0 DCADMM CCC(=O)NC[C@@H](C)N(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576470722 1164353448 /nfs/dbraw/zinc/35/34/48/1164353448.db2.gz LPJMFUNGEZMFLK-SECBINFHSA-N -1 1 318.385 0.570 20 0 DCADMM CCC(=O)NC[C@@H](C)N(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576470722 1164353456 /nfs/dbraw/zinc/35/34/56/1164353456.db2.gz LPJMFUNGEZMFLK-SECBINFHSA-N -1 1 318.385 0.570 20 0 DCADMM CCC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001576471093 1164354376 /nfs/dbraw/zinc/35/43/76/1164354376.db2.gz JWMFKBDMKZZUKT-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001576471093 1164354379 /nfs/dbraw/zinc/35/43/79/1164354379.db2.gz JWMFKBDMKZZUKT-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576477406 1164357673 /nfs/dbraw/zinc/35/76/73/1164357673.db2.gz JSGPIJJXIFTJLB-MGCOHNPYSA-N -1 1 316.369 0.328 20 0 DCADMM CCC(C)(C)C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576527326 1164379364 /nfs/dbraw/zinc/37/93/64/1164379364.db2.gz WGTRZIJMEJEEPS-VIFPVBQESA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576565462 1164392576 /nfs/dbraw/zinc/39/25/76/1164392576.db2.gz WUIINTMLEKIAFT-JTQLQIEISA-N -1 1 318.385 0.597 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576565462 1164392583 /nfs/dbraw/zinc/39/25/83/1164392583.db2.gz WUIINTMLEKIAFT-JTQLQIEISA-N -1 1 318.385 0.597 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576593984 1164407068 /nfs/dbraw/zinc/40/70/68/1164407068.db2.gz IORFKUJGBMQFQV-ZJUUUORDSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576593984 1164407073 /nfs/dbraw/zinc/40/70/73/1164407073.db2.gz IORFKUJGBMQFQV-ZJUUUORDSA-N -1 1 316.369 0.398 20 0 DCADMM CCC(CC)C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001576733801 1164445406 /nfs/dbraw/zinc/44/54/06/1164445406.db2.gz WRJYGQXXQBXORY-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CCC(CC)C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001576733801 1164445412 /nfs/dbraw/zinc/44/54/12/1164445412.db2.gz WRJYGQXXQBXORY-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576925067 1164534686 /nfs/dbraw/zinc/53/46/86/1164534686.db2.gz MQNLMHVGSGPBBR-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576925067 1164534688 /nfs/dbraw/zinc/53/46/88/1164534688.db2.gz MQNLMHVGSGPBBR-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576936027 1164541907 /nfs/dbraw/zinc/54/19/07/1164541907.db2.gz DFTCVCKCORYJGP-RKDXNWHRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576936027 1164541917 /nfs/dbraw/zinc/54/19/17/1164541917.db2.gz DFTCVCKCORYJGP-RKDXNWHRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576939624 1164546335 /nfs/dbraw/zinc/54/63/35/1164546335.db2.gz GQZQYVWFEHRDHQ-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576939624 1164546343 /nfs/dbraw/zinc/54/63/43/1164546343.db2.gz GQZQYVWFEHRDHQ-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576958594 1164558072 /nfs/dbraw/zinc/55/80/72/1164558072.db2.gz ZLYNXQWRUBGXRK-RKDXNWHRSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576958594 1164558081 /nfs/dbraw/zinc/55/80/81/1164558081.db2.gz ZLYNXQWRUBGXRK-RKDXNWHRSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H](F)C(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576960274 1164560022 /nfs/dbraw/zinc/56/00/22/1164560022.db2.gz WBUZWUNERYSBHI-SECBINFHSA-N -1 1 322.348 0.266 20 0 DCADMM CC[C@@H](F)C(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576960274 1164560026 /nfs/dbraw/zinc/56/00/26/1164560026.db2.gz WBUZWUNERYSBHI-SECBINFHSA-N -1 1 322.348 0.266 20 0 DCADMM CC[C@@H](O)CCNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001576998577 1164576944 /nfs/dbraw/zinc/57/69/44/1164576944.db2.gz DLPANEBEQGZQER-SECBINFHSA-N -1 1 321.341 0.553 20 0 DCADMM CCC1(C(=O)NCCN(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001577097569 1164601914 /nfs/dbraw/zinc/60/19/14/1164601914.db2.gz JROVBKANYXMOKK-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCC1(C(=O)NCCN(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001577097569 1164601920 /nfs/dbraw/zinc/60/19/20/1164601920.db2.gz JROVBKANYXMOKK-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577185641 1164626605 /nfs/dbraw/zinc/62/66/05/1164626605.db2.gz XTUATZJDSAMLFT-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577185641 1164626607 /nfs/dbraw/zinc/62/66/07/1164626607.db2.gz XTUATZJDSAMLFT-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577188373 1164627271 /nfs/dbraw/zinc/62/72/71/1164627271.db2.gz TUZMWWAJWKUCEG-MWLCHTKSSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577188373 1164627276 /nfs/dbraw/zinc/62/72/76/1164627276.db2.gz TUZMWWAJWKUCEG-MWLCHTKSSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)NCCN(CCC)c1cnc(-c2nnn[n-]2)cn1 ZINC001577218987 1164640242 /nfs/dbraw/zinc/64/02/42/1164640242.db2.gz RLJPGZKXXKMSTL-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCC(=O)NCCN(CCC)c1cnc(-c2nn[n-]n2)cn1 ZINC001577218987 1164640244 /nfs/dbraw/zinc/64/02/44/1164640244.db2.gz RLJPGZKXXKMSTL-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCC[C@@](C)(O)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577253673 1164651553 /nfs/dbraw/zinc/65/15/53/1164651553.db2.gz GKIGPRKUNBZIHH-CQSZACIVSA-N -1 1 320.353 0.557 20 0 DCADMM CCCCC(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001577408035 1164686241 /nfs/dbraw/zinc/68/62/41/1164686241.db2.gz IKPLWMYDHMAYAA-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001577408035 1164686247 /nfs/dbraw/zinc/68/62/47/1164686247.db2.gz IKPLWMYDHMAYAA-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@@H](C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001577409191 1164686422 /nfs/dbraw/zinc/68/64/22/1164686422.db2.gz XFECRXFJDBYGNK-JTQLQIEISA-N -1 1 318.385 0.576 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@@H]1C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577941479 1164853999 /nfs/dbraw/zinc/85/39/99/1164853999.db2.gz MQCJLOCLSDUMLH-VHSXEESVSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@@H]1C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577941479 1164854005 /nfs/dbraw/zinc/85/40/05/1164854005.db2.gz MQCJLOCLSDUMLH-VHSXEESVSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)[C@@H]1C[C@H]1C ZINC001578124264 1164929645 /nfs/dbraw/zinc/92/96/45/1164929645.db2.gz VRAYSHXYNAIAKY-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)[C@@H]1C[C@H]1C ZINC001578124264 1164929651 /nfs/dbraw/zinc/92/96/51/1164929651.db2.gz VRAYSHXYNAIAKY-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCOC(=O)N(C)CCCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001578246120 1164963021 /nfs/dbraw/zinc/96/30/21/1164963021.db2.gz COPSLGDCRYAFHN-UHFFFAOYSA-N -1 1 322.329 0.397 20 0 DCADMM CN(CCNC(=O)CC(C)(C)C)c1cnc(-c2nnn[n-]2)cn1 ZINC001579173758 1165230914 /nfs/dbraw/zinc/23/09/14/1165230914.db2.gz FWNNLQGVCPGVQF-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CN(CCNC(=O)CC(C)(C)C)c1cnc(-c2nn[n-]n2)cn1 ZINC001579173758 1165230920 /nfs/dbraw/zinc/23/09/20/1165230920.db2.gz FWNNLQGVCPGVQF-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CN(CCNC(=O)c1ccoc1)c1cncc(-c2nnn[n-]2)n1 ZINC001579202013 1165236342 /nfs/dbraw/zinc/23/63/42/1165236342.db2.gz XZLPIZZICDOIJM-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN(CCNC(=O)c1ccoc1)c1cncc(-c2nn[n-]n2)n1 ZINC001579202013 1165236349 /nfs/dbraw/zinc/23/63/49/1165236349.db2.gz XZLPIZZICDOIJM-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)[C@H]1CC1(C)C ZINC001579210869 1165237770 /nfs/dbraw/zinc/23/77/70/1165237770.db2.gz JEDLHRCRRVATGB-SECBINFHSA-N -1 1 316.369 0.573 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)[C@H]1CC1(C)C ZINC001579210869 1165237782 /nfs/dbraw/zinc/23/77/82/1165237782.db2.gz JEDLHRCRRVATGB-SECBINFHSA-N -1 1 316.369 0.573 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)C1CCCC1 ZINC001579225524 1165242854 /nfs/dbraw/zinc/24/28/54/1165242854.db2.gz TTYPLZFHCXJUPO-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)C1CCCC1 ZINC001579225524 1165242862 /nfs/dbraw/zinc/24/28/62/1165242862.db2.gz TTYPLZFHCXJUPO-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(Cc1ccc(F)cc1)C(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001579252031 1165251694 /nfs/dbraw/zinc/25/16/94/1165251694.db2.gz BTUJXOPSRYZWMT-UHFFFAOYSA-N -1 1 316.300 0.256 20 0 DCADMM CN1C(=O)COc2cc(Nc3ncncc3-c3nn[n-]n3)ccc21 ZINC001579308161 1165267613 /nfs/dbraw/zinc/26/76/13/1165267613.db2.gz DYNBKEUENNPQNJ-UHFFFAOYSA-N -1 1 324.304 0.756 20 0 DCADMM CN1C(=O)c2ccccc2[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001579312001 1165268989 /nfs/dbraw/zinc/26/89/89/1165268989.db2.gz PCYPIMCNTOVOLF-LBPRGKRZSA-N -1 1 322.332 0.896 20 0 DCADMM CN1C(=O)c2ccccc2[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001579312001 1165268995 /nfs/dbraw/zinc/26/89/95/1165268995.db2.gz PCYPIMCNTOVOLF-LBPRGKRZSA-N -1 1 322.332 0.896 20 0 DCADMM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001579442227 1165310832 /nfs/dbraw/zinc/31/08/32/1165310832.db2.gz CHSPGEGCFFCUDA-SFYZADRCSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C1 ZINC001579446868 1165311695 /nfs/dbraw/zinc/31/16/95/1165311695.db2.gz RUHUNVULAAKTJT-KYXWUPHJSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C1 ZINC001579446868 1165311698 /nfs/dbraw/zinc/31/16/98/1165311698.db2.gz RUHUNVULAAKTJT-KYXWUPHJSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)NC(C)(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579453858 1165315697 /nfs/dbraw/zinc/31/56/97/1165315697.db2.gz ZXGLJFIEVDXUIF-UHFFFAOYSA-N -1 1 324.366 0.679 20 0 DCADMM COC(=O)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001579466866 1165318654 /nfs/dbraw/zinc/31/86/54/1165318654.db2.gz RHWGWZMEKRXZNC-WCBMZHEXSA-N -1 1 317.353 0.601 20 0 DCADMM COC(=O)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001579466866 1165318661 /nfs/dbraw/zinc/31/86/61/1165318661.db2.gz RHWGWZMEKRXZNC-WCBMZHEXSA-N -1 1 317.353 0.601 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCC2(O)CCC2)c1 ZINC001579477160 1165324533 /nfs/dbraw/zinc/32/45/33/1165324533.db2.gz BSEAPNWDCIHNLO-UHFFFAOYSA-N -1 1 319.321 0.120 20 0 DCADMM COC(=O)c1cc(C)c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)o1 ZINC001579476690 1165325307 /nfs/dbraw/zinc/32/53/07/1165325307.db2.gz XZMQNPKVKCMYBG-UHFFFAOYSA-N -1 1 317.265 0.530 20 0 DCADMM COC(=O)c1cc(C)c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)o1 ZINC001579476690 1165325313 /nfs/dbraw/zinc/32/53/13/1165325313.db2.gz XZMQNPKVKCMYBG-UHFFFAOYSA-N -1 1 317.265 0.530 20 0 DCADMM CO[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC001579526522 1165337907 /nfs/dbraw/zinc/33/79/07/1165337907.db2.gz PMAQSTYBCZLOGW-LDYMZIIASA-N -1 1 323.378 0.596 20 0 DCADMM CO[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCOC1 ZINC001579526521 1165338339 /nfs/dbraw/zinc/33/83/39/1165338339.db2.gz PMAQSTYBCZLOGW-KWQFWETISA-N -1 1 323.378 0.596 20 0 DCADMM COCC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001579620487 1165360766 /nfs/dbraw/zinc/36/07/66/1165360766.db2.gz FIQBKHJSLGQLNZ-UHFFFAOYSA-N -1 1 322.394 0.217 20 0 DCADMM COC[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(C)C ZINC001579697365 1165380221 /nfs/dbraw/zinc/38/02/21/1165380221.db2.gz GEGWHBGMGOKJSA-JTQLQIEISA-N -1 1 320.353 0.677 20 0 DCADMM COCc1nc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cs1 ZINC001579840741 1165408806 /nfs/dbraw/zinc/40/88/06/1165408806.db2.gz SLTPBOUTGANKLO-UHFFFAOYSA-N -1 1 320.338 0.455 20 0 DCADMM COCc1nc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cs1 ZINC001579840741 1165408810 /nfs/dbraw/zinc/40/88/10/1165408810.db2.gz SLTPBOUTGANKLO-UHFFFAOYSA-N -1 1 320.338 0.455 20 0 DCADMM CO[C@]12CCC[C@@]1(C(=O)Nc1n[nH]cc1-c1nnn[n-]1)CCO2 ZINC001579870427 1165418429 /nfs/dbraw/zinc/41/84/29/1165418429.db2.gz UFJWUQRZOAWSQO-STQMWFEESA-N -1 1 319.325 0.462 20 0 DCADMM CO[C@]12CCC[C@@]1(C(=O)Nc1n[nH]cc1-c1nn[n-]n1)CCO2 ZINC001579870427 1165418432 /nfs/dbraw/zinc/41/84/32/1165418432.db2.gz UFJWUQRZOAWSQO-STQMWFEESA-N -1 1 319.325 0.462 20 0 DCADMM CS[C@H](C)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001580189760 1165531553 /nfs/dbraw/zinc/53/15/53/1165531553.db2.gz MCUYBZFZBSODEX-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001580189760 1165531557 /nfs/dbraw/zinc/53/15/57/1165531557.db2.gz MCUYBZFZBSODEX-JGVFFNPUSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCC1CC1 ZINC001580295634 1165561576 /nfs/dbraw/zinc/56/15/76/1165561576.db2.gz VKHNTWXKUBCCTO-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCC1CC1 ZINC001580295634 1165561583 /nfs/dbraw/zinc/56/15/83/1165561583.db2.gz VKHNTWXKUBCCTO-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1(C)CC1 ZINC001580293927 1165562151 /nfs/dbraw/zinc/56/21/51/1165562151.db2.gz OGZOJPSJGOPZDP-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1(C)CC1 ZINC001580293927 1165562157 /nfs/dbraw/zinc/56/21/57/1165562157.db2.gz OGZOJPSJGOPZDP-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CC1(C)C ZINC001580300488 1165563796 /nfs/dbraw/zinc/56/37/96/1165563796.db2.gz SADAMIXJGYVFTR-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CC1(C)C ZINC001580300488 1165563801 /nfs/dbraw/zinc/56/38/01/1165563801.db2.gz SADAMIXJGYVFTR-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CCCC1 ZINC001580413797 1165595253 /nfs/dbraw/zinc/59/52/53/1165595253.db2.gz YQJDUQGFVTVIFA-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CCCC1 ZINC001580413797 1165595259 /nfs/dbraw/zinc/59/52/59/1165595259.db2.gz YQJDUQGFVTVIFA-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001580452648 1165604999 /nfs/dbraw/zinc/60/49/99/1165604999.db2.gz WFHBVYKKNHWFOD-AEJSXWLSSA-N -1 1 314.353 0.008 20 0 DCADMM Cc1c(NC(=O)CCCc2nn[n-]n2)cccc1-c1nn[nH]n1 ZINC001580557333 1165638922 /nfs/dbraw/zinc/63/89/22/1165638922.db2.gz DZFZLRMFHXKTHJ-UHFFFAOYSA-N -1 1 313.325 0.650 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@](C)(CO)C(C)C ZINC001580599814 1165651405 /nfs/dbraw/zinc/65/14/05/1165651405.db2.gz GVVRKJRVAVQKMP-AWEZNQCLSA-N -1 1 320.353 0.413 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC(C)(C)CCO ZINC001580601543 1165651625 /nfs/dbraw/zinc/65/16/25/1165651625.db2.gz BEEDYQCCJKRDDC-UHFFFAOYSA-N -1 1 320.353 0.414 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1[C@H](C)CC[C@@H]1CO ZINC001580600479 1165651678 /nfs/dbraw/zinc/65/16/78/1165651678.db2.gz NZFIVSSACHZVQO-RKDXNWHRSA-N -1 1 318.337 0.261 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1Cc2cccnc2C1 ZINC001580601337 1165651693 /nfs/dbraw/zinc/65/16/93/1165651693.db2.gz WLWPTJQCQWDAEF-UHFFFAOYSA-N -1 1 323.316 0.827 20 0 DCADMM Cc1ccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001581213271 1165799275 /nfs/dbraw/zinc/79/92/75/1165799275.db2.gz KCMIXTHSYUWONQ-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1nc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)nn1C ZINC001581485735 1165833780 /nfs/dbraw/zinc/83/37/80/1165833780.db2.gz WJLYGAFEJNNPFJ-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1noc(CN(C)C(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001581636256 1165853671 /nfs/dbraw/zinc/85/36/71/1165853671.db2.gz ITDFKHPQUDJTOD-UHFFFAOYSA-N -1 1 317.284 0.969 20 0 DCADMM Cc1noc(CN(C)C(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001581636256 1165853678 /nfs/dbraw/zinc/85/36/78/1165853678.db2.gz ITDFKHPQUDJTOD-UHFFFAOYSA-N -1 1 317.284 0.969 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)c1nccc(N)n1 ZINC001581727051 1165861629 /nfs/dbraw/zinc/86/16/29/1165861629.db2.gz GUPNENQCTUSFGH-LURJTMIESA-N -1 1 314.309 0.631 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)c1nccc(N)n1 ZINC001581727051 1165861633 /nfs/dbraw/zinc/86/16/33/1165861633.db2.gz GUPNENQCTUSFGH-LURJTMIESA-N -1 1 314.309 0.631 20 0 DCADMM Cn1c(=O)cccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581752261 1165867062 /nfs/dbraw/zinc/86/70/62/1165867062.db2.gz VFDMAMPTATTWRT-UHFFFAOYSA-N -1 1 316.346 0.557 20 0 DCADMM Cn1cc(C=O)cc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581767434 1165870505 /nfs/dbraw/zinc/87/05/05/1165870505.db2.gz VYFZFQUOVCMJKF-UHFFFAOYSA-N -1 1 317.334 0.404 20 0 DCADMM Cn1cc(C=O)cc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581767434 1165870509 /nfs/dbraw/zinc/87/05/09/1165870509.db2.gz VYFZFQUOVCMJKF-UHFFFAOYSA-N -1 1 317.334 0.404 20 0 DCADMM Cn1cccc(NC(=O)c2ccsc2-c2nn[n-]n2)c1=O ZINC001581793089 1165877940 /nfs/dbraw/zinc/87/79/40/1165877940.db2.gz BASZVZIETKOCPX-UHFFFAOYSA-N -1 1 302.319 0.879 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001581900768 1165906600 /nfs/dbraw/zinc/90/66/00/1165906600.db2.gz VVDWKUARUZHMFI-DTWKUNHWSA-N -1 1 314.353 0.600 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001581900768 1165906606 /nfs/dbraw/zinc/90/66/06/1165906606.db2.gz VVDWKUARUZHMFI-DTWKUNHWSA-N -1 1 314.353 0.600 20 0 DCADMM NC(=O)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)o1 ZINC001581908068 1165908374 /nfs/dbraw/zinc/90/83/74/1165908374.db2.gz NYBJEWYSXWNRTQ-UHFFFAOYSA-N -1 1 318.318 0.550 20 0 DCADMM O=C(CCCF)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001582042348 1165942132 /nfs/dbraw/zinc/94/21/32/1165942132.db2.gz HCFVRZZYJXSOLV-UHFFFAOYSA-N -1 1 320.332 0.055 20 0 DCADMM O=C(CCCF)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001582042348 1165942133 /nfs/dbraw/zinc/94/21/33/1165942133.db2.gz HCFVRZZYJXSOLV-UHFFFAOYSA-N -1 1 320.332 0.055 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@H](O)c1ccccc1 ZINC001582137610 1165965192 /nfs/dbraw/zinc/96/51/92/1165965192.db2.gz DIWHXHLTHNFWFN-AWEZNQCLSA-N -1 1 324.344 0.654 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@H](O)c1ccccc1 ZINC001582137610 1165965198 /nfs/dbraw/zinc/96/51/98/1165965198.db2.gz DIWHXHLTHNFWFN-AWEZNQCLSA-N -1 1 324.344 0.654 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H](O)C1CCC1 ZINC001582549458 1166038797 /nfs/dbraw/zinc/03/87/97/1166038797.db2.gz AQZJETBZVAPJAV-SNVBAGLBSA-N -1 1 322.394 0.888 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC(CO)CC1 ZINC001582549077 1166039598 /nfs/dbraw/zinc/03/95/98/1166039598.db2.gz NNCZIWJZFJHYQM-UHFFFAOYSA-N -1 1 322.394 0.842 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCc2n[nH]cc2C1 ZINC001582554935 1166040938 /nfs/dbraw/zinc/04/09/38/1166040938.db2.gz YARXFULDFNPMDR-JTQLQIEISA-N -1 1 324.348 0.406 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@]12CCC[C@H]1OCC2 ZINC001582554399 1166041211 /nfs/dbraw/zinc/04/12/11/1166041211.db2.gz HGOVYANZENHJBM-DOMZBBRYSA-N -1 1 314.349 0.837 20 0 DCADMM 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O=S(=O)(NCc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC001582798237 1166084708 /nfs/dbraw/zinc/08/47/08/1166084708.db2.gz XNDBBHUBAKBNFL-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM OC[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1CO ZINC001582813776 1166094583 /nfs/dbraw/zinc/09/45/83/1166094583.db2.gz CXRWHSLVPZILTL-WDSKDSINSA-N -1 1 316.774 0.014 20 0 DCADMM OC[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)[C@@H]1CCOC1 ZINC001582813284 1166094759 /nfs/dbraw/zinc/09/47/59/1166094759.db2.gz ZLIBNNORKSFWDE-PHDIDXHHSA-N -1 1 316.774 0.786 20 0 DCADMM c1cc(Nc2ccc(OC3COC3)cc2)nc(-c2nn[n-]n2)n1 ZINC001582817658 1166096469 /nfs/dbraw/zinc/09/64/69/1166096469.db2.gz RMACERUHWJLFOO-UHFFFAOYSA-N -1 1 311.305 0.600 20 0 DCADMM Oc1cc(F)c(CCNc2ccnc(-c3nn[n-]n3)n2)c(F)c1 ZINC001582816874 1166096854 /nfs/dbraw/zinc/09/68/54/1166096854.db2.gz STUKMKKDFZXBMT-UHFFFAOYSA-N -1 1 319.275 0.717 20 0 DCADMM COc1nccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)n1 ZINC001586104703 1166478356 /nfs/dbraw/zinc/47/83/56/1166478356.db2.gz 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CC(=O)N(C)CCc1noc(-c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001588800091 1166592304 /nfs/dbraw/zinc/59/23/04/1166592304.db2.gz AQLCXUUZPCDMFC-UHFFFAOYSA-N -1 1 317.309 0.839 20 0 DCADMM CC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001588840053 1166606963 /nfs/dbraw/zinc/60/69/63/1166606963.db2.gz KZUIEYKYEIEAPC-UHFFFAOYSA-N -1 1 314.353 0.516 20 0 DCADMM CC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001588840053 1166606971 /nfs/dbraw/zinc/60/69/71/1166606971.db2.gz KZUIEYKYEIEAPC-UHFFFAOYSA-N -1 1 314.353 0.516 20 0 DCADMM CC(=O)NCC(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001588851471 1166609118 /nfs/dbraw/zinc/60/91/18/1166609118.db2.gz ANWIILUMMMSUSQ-UHFFFAOYSA-N -1 1 307.310 0.665 20 0 DCADMM CC(=O)NCC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001588851471 1166609121 /nfs/dbraw/zinc/60/91/21/1166609121.db2.gz ANWIILUMMMSUSQ-UHFFFAOYSA-N -1 1 307.310 0.665 20 0 DCADMM C[C@@H](C(=O)N(C)Cc1ccoc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588942753 1166622202 /nfs/dbraw/zinc/62/22/02/1166622202.db2.gz 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CC(C)=CC(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001589360095 1166652720 /nfs/dbraw/zinc/65/27/20/1166652720.db2.gz BLHUCAFDPWWWIX-JTQLQIEISA-N -1 1 316.369 0.930 20 0 DCADMM CC(C)C(=O)N1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001589401296 1166654664 /nfs/dbraw/zinc/65/46/64/1166654664.db2.gz JEWZIBBQYDBESM-UHFFFAOYSA-N -1 1 321.410 0.623 20 0 DCADMM CC(C)C(=O)N1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001589401296 1166654671 /nfs/dbraw/zinc/65/46/71/1166654671.db2.gz JEWZIBBQYDBESM-UHFFFAOYSA-N -1 1 321.410 0.623 20 0 DCADMM CC(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001589411221 1166657226 /nfs/dbraw/zinc/65/72/26/1166657226.db2.gz JJGANSUTMFGKFD-NXEZZACHSA-N -1 1 316.369 0.254 20 0 DCADMM CC(C)[C@@](C)(O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589429228 1166659089 /nfs/dbraw/zinc/65/90/89/1166659089.db2.gz QUJPZUXDKAZDHE-AWEZNQCLSA-N -1 1 304.354 0.327 20 0 DCADMM CC(C)[C@@](C)(O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589429228 1166659093 /nfs/dbraw/zinc/65/90/93/1166659093.db2.gz QUJPZUXDKAZDHE-AWEZNQCLSA-N -1 1 304.354 0.327 20 0 DCADMM CC(C)n1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001589782632 1166685044 /nfs/dbraw/zinc/68/50/44/1166685044.db2.gz RXVLGGPFYLJODI-UHFFFAOYSA-N -1 1 314.309 0.791 20 0 DCADMM CC(C)n1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001589782632 1166685048 /nfs/dbraw/zinc/68/50/48/1166685048.db2.gz RXVLGGPFYLJODI-UHFFFAOYSA-N -1 1 314.309 0.791 20 0 DCADMM C[C@@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CC1 ZINC001589830304 1166695780 /nfs/dbraw/zinc/69/57/80/1166695780.db2.gz KXPJYZVZOQENPY-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC1 ZINC001589830304 1166695784 /nfs/dbraw/zinc/69/57/84/1166695784.db2.gz KXPJYZVZOQENPY-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CN1CCOCC1)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589849128 1166699373 /nfs/dbraw/zinc/69/93/73/1166699373.db2.gz YMRYCPMPAOUGAJ-JTQLQIEISA-N -1 1 320.353 0.252 20 0 DCADMM C[C@@H](CN1CCOCC1)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589849128 1166699379 /nfs/dbraw/zinc/69/93/79/1166699379.db2.gz YMRYCPMPAOUGAJ-JTQLQIEISA-N -1 1 320.353 0.252 20 0 DCADMM C[C@H](CN1CCCC1=O)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589849285 1166700950 /nfs/dbraw/zinc/70/09/50/1166700950.db2.gz OFSKAIZKNCQQIT-SECBINFHSA-N -1 1 316.321 0.429 20 0 DCADMM C[C@H](CN1CCCC1=O)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589849285 1166700957 /nfs/dbraw/zinc/70/09/57/1166700957.db2.gz OFSKAIZKNCQQIT-SECBINFHSA-N -1 1 316.321 0.429 20 0 DCADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)S(N)(=O)=O ZINC001589879464 1166705560 /nfs/dbraw/zinc/70/55/60/1166705560.db2.gz MLBUGSKDUIAINK-GSVOUGTGSA-N -1 1 323.791 0.066 20 0 DCADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)S(N)(=O)=O ZINC001589879464 1166705556 /nfs/dbraw/zinc/70/55/56/1166705556.db2.gz MLBUGSKDUIAINK-GSVOUGTGSA-N -1 1 323.791 0.066 20 0 DCADMM C[C@H](CO)[C@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589886471 1166709283 /nfs/dbraw/zinc/70/92/83/1166709283.db2.gz HDHRGFUVXIMVDN-ZWNOBZJWSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H](CO)[C@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589886471 1166709288 /nfs/dbraw/zinc/70/92/88/1166709288.db2.gz HDHRGFUVXIMVDN-ZWNOBZJWSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H](O)C(F)(F)F ZINC001589944337 1166726402 /nfs/dbraw/zinc/72/64/02/1166726402.db2.gz FIOIRLMQPGKGPT-CLZZGJSISA-N -1 1 321.284 0.970 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H](O)C(F)(F)F ZINC001589944337 1166726407 /nfs/dbraw/zinc/72/64/07/1166726407.db2.gz FIOIRLMQPGKGPT-CLZZGJSISA-N -1 1 321.284 0.970 20 0 DCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(=O)N1CCCC[C@H]1C ZINC001589986111 1166736174 /nfs/dbraw/zinc/73/61/74/1166736174.db2.gz XIMUECRYFQDMAP-ZJUUUORDSA-N -1 1 316.369 0.280 20 0 DCADMM C[C@](O)(CNC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589988608 1166737204 /nfs/dbraw/zinc/73/72/04/1166737204.db2.gz NHPYOGGMZJUBEJ-JTQLQIEISA-N -1 1 316.243 0.305 20 0 DCADMM C[C@](O)(CNC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589988608 1166737207 /nfs/dbraw/zinc/73/72/07/1166737207.db2.gz NHPYOGGMZJUBEJ-JTQLQIEISA-N -1 1 316.243 0.305 20 0 DCADMM C[C@](O)(C[C@@H](O)COc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001589991985 1166738131 /nfs/dbraw/zinc/73/81/31/1166738131.db2.gz XTUBTJDRYTWSNX-YGRLFVJLSA-N -1 1 305.338 0.553 20 0 DCADMM C[C@](O)(C[C@@H](O)COc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001589991985 1166738139 /nfs/dbraw/zinc/73/81/39/1166738139.db2.gz XTUBTJDRYTWSNX-YGRLFVJLSA-N -1 1 305.338 0.553 20 0 DCADMM C[C@](O)(CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589988016 1166738200 /nfs/dbraw/zinc/73/82/00/1166738200.db2.gz FOGQCCOJWIBCSY-ZDUSSCGKSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@](O)(CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589988016 1166738206 /nfs/dbraw/zinc/73/82/06/1166738206.db2.gz FOGQCCOJWIBCSY-ZDUSSCGKSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1nnc2ccccn21 ZINC001589986203 1166738838 /nfs/dbraw/zinc/73/88/38/1166738838.db2.gz AAHYCMPFBOEGOU-QMMMGPOBSA-N -1 1 308.309 0.294 20 0 DCADMM C[C@H](O)C1(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CC1 ZINC001589998165 1166745291 /nfs/dbraw/zinc/74/52/91/1166745291.db2.gz WOBSAAIFFHGFON-QMMMGPOBSA-N -1 1 312.333 0.991 20 0 DCADMM C[C@H](O)CCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589998655 1166745713 /nfs/dbraw/zinc/74/57/13/1166745713.db2.gz KWMYWCYKXZSKIW-ZETCQYMHSA-N -1 1 317.396 0.320 20 0 DCADMM C[C@H](O)CCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589998655 1166745719 /nfs/dbraw/zinc/74/57/19/1166745719.db2.gz KWMYWCYKXZSKIW-ZETCQYMHSA-N -1 1 317.396 0.320 20 0 DCADMM C[C@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCCCO1 ZINC001590068769 1166763353 /nfs/dbraw/zinc/76/33/53/1166763353.db2.gz PIUHQDLRXJGXHF-CQSZACIVSA-N -1 1 302.338 0.837 20 0 DCADMM C[C@]1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCCCO1 ZINC001590068769 1166763357 /nfs/dbraw/zinc/76/33/57/1166763357.db2.gz PIUHQDLRXJGXHF-CQSZACIVSA-N -1 1 302.338 0.837 20 0 DCADMM CC1(C)C[C@@](C)(NCc2cccc(-c3nnn[n-]3)n2)C(=O)O1 ZINC001590079714 1166768272 /nfs/dbraw/zinc/76/82/72/1166768272.db2.gz FNOPTPPAEULXNX-CQSZACIVSA-N -1 1 302.338 0.836 20 0 DCADMM CC1(C)C[C@@](C)(NCc2cccc(-c3nn[n-]n3)n2)C(=O)O1 ZINC001590079714 1166768279 /nfs/dbraw/zinc/76/82/79/1166768279.db2.gz FNOPTPPAEULXNX-CQSZACIVSA-N -1 1 302.338 0.836 20 0 DCADMM CC1(C)C[C@H]1C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001590087925 1166771117 /nfs/dbraw/zinc/77/11/17/1166771117.db2.gz APHKZLZYVSDVQM-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM CC1(C)C[C@H]1C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001590087925 1166771125 /nfs/dbraw/zinc/77/11/25/1166771125.db2.gz APHKZLZYVSDVQM-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM CC1(C)CCC[C@@H](n2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)C1=O ZINC001590098517 1166773696 /nfs/dbraw/zinc/77/36/96/1166773696.db2.gz TUNYSWRRPZNVKE-MRVPVSSYSA-N -1 1 304.310 0.449 20 0 DCADMM CC1(F)CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001590141317 1166787277 /nfs/dbraw/zinc/78/72/77/1166787277.db2.gz BGUHLIWDYSZCFT-UHFFFAOYSA-N -1 1 315.305 0.738 20 0 DCADMM C[C@]12COC[C@H]1CN(C(=O)c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001590158634 1166793995 /nfs/dbraw/zinc/79/39/95/1166793995.db2.gz YVLVRUFSIMNHEH-YGRLFVJLSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@]12COC[C@H]1CN(C(=O)c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001590158634 1166794000 /nfs/dbraw/zinc/79/40/00/1166794000.db2.gz YVLVRUFSIMNHEH-YGRLFVJLSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@H]1[C@H](CO)CCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590167150 1166795041 /nfs/dbraw/zinc/79/50/41/1166795041.db2.gz BOAOYIUELZHARJ-YUMQZZPRSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@H]1[C@H](CO)CCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590167150 1166795049 /nfs/dbraw/zinc/79/50/49/1166795049.db2.gz BOAOYIUELZHARJ-YUMQZZPRSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@@H+]1CCF ZINC001590171471 1166797883 /nfs/dbraw/zinc/79/78/83/1166797883.db2.gz RIHPLJYPGUFFMX-MWLCHTKSSA-N -1 1 321.360 0.747 20 0 DCADMM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@H+]1CCF ZINC001590171471 1166797890 /nfs/dbraw/zinc/79/78/90/1166797890.db2.gz RIHPLJYPGUFFMX-MWLCHTKSSA-N -1 1 321.360 0.747 20 0 DCADMM C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)O1 ZINC001590190778 1166803859 /nfs/dbraw/zinc/80/38/59/1166803859.db2.gz GHTVMDWZEJUBNB-XSSZXYGBSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)O1 ZINC001590190778 1166803866 /nfs/dbraw/zinc/80/38/66/1166803866.db2.gz GHTVMDWZEJUBNB-XSSZXYGBSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590192959 1166807262 /nfs/dbraw/zinc/80/72/62/1166807262.db2.gz YOHIEBWUAMCVLW-BDAKNGLRSA-N -1 1 308.367 0.681 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H](C)O1 ZINC001590199476 1166810787 /nfs/dbraw/zinc/81/07/87/1166810787.db2.gz KYIWQBLIYKSJQS-KHQFGBGNSA-N -1 1 303.326 0.949 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H](C)O1 ZINC001590199476 1166810793 /nfs/dbraw/zinc/81/07/93/1166810793.db2.gz KYIWQBLIYKSJQS-KHQFGBGNSA-N -1 1 303.326 0.949 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)c2ncnn21 ZINC001590203246 1166812467 /nfs/dbraw/zinc/81/24/67/1166812467.db2.gz PCXMAGUGQXWEMI-OIBJUYFYSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)c2ncnn21 ZINC001590203246 1166812470 /nfs/dbraw/zinc/81/24/70/1166812470.db2.gz PCXMAGUGQXWEMI-OIBJUYFYSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590214820 1166815331 /nfs/dbraw/zinc/81/53/31/1166815331.db2.gz DEXLCROILVEIEC-IMSYWVGJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590214820 1166815337 /nfs/dbraw/zinc/81/53/37/1166815337.db2.gz DEXLCROILVEIEC-IMSYWVGJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001590218478 1166818206 /nfs/dbraw/zinc/81/82/06/1166818206.db2.gz GTCZXTXDKROLCJ-WEDXCCLWSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001590218478 1166818213 /nfs/dbraw/zinc/81/82/13/1166818213.db2.gz GTCZXTXDKROLCJ-WEDXCCLWSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590243345 1166827238 /nfs/dbraw/zinc/82/72/38/1166827238.db2.gz KILUPHCANFOPBE-BBBLOLIVSA-N -1 1 304.358 0.399 20 0 DCADMM C[C@@H]1[C@@H](C)CCCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590262035 1166829595 /nfs/dbraw/zinc/82/95/95/1166829595.db2.gz UEAIOUVHMMDGMM-VHSXEESVSA-N -1 1 319.373 0.288 20 0 DCADMM CC1CCN(C(=O)COc2cccnc2-c2nnn[n-]2)CC1 ZINC001590263819 1166830510 /nfs/dbraw/zinc/83/05/10/1166830510.db2.gz LZYUMFMXYIJBFT-UHFFFAOYSA-N -1 1 302.338 0.899 20 0 DCADMM CC1CCN(C(=O)COc2cccnc2-c2nn[n-]n2)CC1 ZINC001590263819 1166830513 /nfs/dbraw/zinc/83/05/13/1166830513.db2.gz LZYUMFMXYIJBFT-UHFFFAOYSA-N -1 1 302.338 0.899 20 0 DCADMM C[C@@H]1CCn2ncc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)c2C1 ZINC001590281565 1166841120 /nfs/dbraw/zinc/84/11/20/1166841120.db2.gz FNMLDJGYNYGHMH-SSDOTTSWSA-N -1 1 313.325 0.621 20 0 DCADMM C[C@@H]1CCn2ncc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)c2C1 ZINC001590281565 1166841127 /nfs/dbraw/zinc/84/11/27/1166841127.db2.gz FNMLDJGYNYGHMH-SSDOTTSWSA-N -1 1 313.325 0.621 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@]1(C)CO ZINC001590294025 1166843125 /nfs/dbraw/zinc/84/31/25/1166843125.db2.gz JWPPUFKCSQXUNO-AMIZOPFISA-N -1 1 320.357 0.082 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@]1(C)CO ZINC001590294025 1166843127 /nfs/dbraw/zinc/84/31/27/1166843127.db2.gz JWPPUFKCSQXUNO-AMIZOPFISA-N -1 1 320.357 0.082 20 0 DCADMM C[C@H]1Cn2ncnc2N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590295533 1166844177 /nfs/dbraw/zinc/84/41/77/1166844177.db2.gz BWPPAUZZSCZNHF-MRVPVSSYSA-N -1 1 311.309 0.150 20 0 DCADMM C[C@H]1Cn2ncnc2N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590295533 1166844182 /nfs/dbraw/zinc/84/41/82/1166844182.db2.gz BWPPAUZZSCZNHF-MRVPVSSYSA-N -1 1 311.309 0.150 20 0 DCADMM C[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CCS(=O)(=O)C1 ZINC001590316475 1166859994 /nfs/dbraw/zinc/85/99/94/1166859994.db2.gz SCOUOARNOICHEU-SECBINFHSA-N -1 1 308.367 0.133 20 0 DCADMM C[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CCS(=O)(=O)C1 ZINC001590316475 1166860000 /nfs/dbraw/zinc/86/00/00/1166860000.db2.gz SCOUOARNOICHEU-SECBINFHSA-N -1 1 308.367 0.133 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@@]2(CCCOC2)O1 ZINC001590317515 1166862721 /nfs/dbraw/zinc/86/27/21/1166862721.db2.gz BVWJMFALJOXSGJ-QMTHXVAHSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@@]2(CCCOC2)O1 ZINC001590317515 1166862729 /nfs/dbraw/zinc/86/27/29/1166862729.db2.gz BVWJMFALJOXSGJ-QMTHXVAHSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1COCC[C@@H]1CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590322746 1166863045 /nfs/dbraw/zinc/86/30/45/1166863045.db2.gz GTFHVDHEXPBZQE-CMPLNLGQSA-N -1 1 316.365 0.593 20 0 DCADMM C[C@H]1COCC[C@@H]1CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590322746 1166863052 /nfs/dbraw/zinc/86/30/52/1166863052.db2.gz GTFHVDHEXPBZQE-CMPLNLGQSA-N -1 1 316.365 0.593 20 0 DCADMM C/C=C(\C)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001590342836 1166877360 /nfs/dbraw/zinc/87/73/60/1166877360.db2.gz QTEJALVNBVPRPO-RZCNENHTSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(\C)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001590342836 1166877364 /nfs/dbraw/zinc/87/73/64/1166877364.db2.gz QTEJALVNBVPRPO-RZCNENHTSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(\C)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590341423 1166877590 /nfs/dbraw/zinc/87/75/90/1166877590.db2.gz GJKVHNKPRNAGPR-OTVCUZDGSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(\C)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590341423 1166877596 /nfs/dbraw/zinc/87/75/96/1166877596.db2.gz GJKVHNKPRNAGPR-OTVCUZDGSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(/C)C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590357022 1166882968 /nfs/dbraw/zinc/88/29/68/1166882968.db2.gz XFXHAONVEVDICD-ZUYFITGHSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(/C)C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590357022 1166882971 /nfs/dbraw/zinc/88/29/71/1166882971.db2.gz XFXHAONVEVDICD-ZUYFITGHSA-N -1 1 316.369 0.930 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001590360608 1166883872 /nfs/dbraw/zinc/88/38/72/1166883872.db2.gz APTGUBAABJDJHT-RKDXNWHRSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001590360608 1166883878 /nfs/dbraw/zinc/88/38/78/1166883878.db2.gz APTGUBAABJDJHT-RKDXNWHRSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001590361151 1166884530 /nfs/dbraw/zinc/88/45/30/1166884530.db2.gz VSZJGASPWRGWQA-SNVBAGLBSA-N -1 1 301.354 0.415 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001590361151 1166884532 /nfs/dbraw/zinc/88/45/32/1166884532.db2.gz VSZJGASPWRGWQA-SNVBAGLBSA-N -1 1 301.354 0.415 20 0 DCADMM CCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001590361974 1166888072 /nfs/dbraw/zinc/88/80/72/1166888072.db2.gz VALNCZDBVLOEHU-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM CCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001590361974 1166888079 /nfs/dbraw/zinc/88/80/79/1166888079.db2.gz VALNCZDBVLOEHU-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM CCC(=O)N[C@H](C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590363575 1166888284 /nfs/dbraw/zinc/88/82/84/1166888284.db2.gz IYSBCYLNRLGONJ-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCC(=O)N[C@H](C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590363575 1166888292 /nfs/dbraw/zinc/88/82/92/1166888292.db2.gz IYSBCYLNRLGONJ-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001590364217 1166889218 /nfs/dbraw/zinc/88/92/18/1166889218.db2.gz KSMKZBDOHTUINC-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM CCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001590364217 1166889220 /nfs/dbraw/zinc/88/92/20/1166889220.db2.gz KSMKZBDOHTUINC-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM CCC(=O)N[C@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590365318 1166890380 /nfs/dbraw/zinc/89/03/80/1166890380.db2.gz CNGPQTQFGILNOU-MRVPVSSYSA-N -1 1 304.358 0.546 20 0 DCADMM CCC(=O)N[C@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590365318 1166890386 /nfs/dbraw/zinc/89/03/86/1166890386.db2.gz CNGPQTQFGILNOU-MRVPVSSYSA-N -1 1 304.358 0.546 20 0 DCADMM CCC(C)(C)[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001590373194 1166892545 /nfs/dbraw/zinc/89/25/45/1166892545.db2.gz KFRNUNOEMGOYKG-ZETCQYMHSA-N -1 1 307.358 0.903 20 0 DCADMM CC/C(C)=C\C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001590388713 1166894457 /nfs/dbraw/zinc/89/44/57/1166894457.db2.gz LTMJTARVGCNRHP-UJICNMFASA-N -1 1 316.369 0.930 20 0 DCADMM CC/C(C)=C\C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001590388713 1166894463 /nfs/dbraw/zinc/89/44/63/1166894463.db2.gz LTMJTARVGCNRHP-UJICNMFASA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590395280 1166897296 /nfs/dbraw/zinc/89/72/96/1166897296.db2.gz ZWTNVGQIBWJHGQ-BDAKNGLRSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590395280 1166897299 /nfs/dbraw/zinc/89/72/99/1166897299.db2.gz ZWTNVGQIBWJHGQ-BDAKNGLRSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](C)C(=O)COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590391065 1166898781 /nfs/dbraw/zinc/89/87/81/1166898781.db2.gz PETOHRUOMVFIFN-SFYZADRCSA-N -1 1 307.314 0.178 20 0 DCADMM CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590407282 1166900563 /nfs/dbraw/zinc/90/05/63/1166900563.db2.gz YKLXYMQLEIENRD-LPEHRKFASA-N -1 1 306.374 0.960 20 0 DCADMM CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590412567 1166900851 /nfs/dbraw/zinc/90/08/51/1166900851.db2.gz LTGMDQDTAIPJNZ-BDAKNGLRSA-N -1 1 318.337 0.722 20 0 DCADMM CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590412567 1166900853 /nfs/dbraw/zinc/90/08/53/1166900853.db2.gz LTGMDQDTAIPJNZ-BDAKNGLRSA-N -1 1 318.337 0.722 20 0 DCADMM CC[C@H](CNC(=O)C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590439918 1166906370 /nfs/dbraw/zinc/90/63/70/1166906370.db2.gz VOFNNKGUAWCLLT-SECBINFHSA-N -1 1 302.342 0.373 20 0 DCADMM CC[C@H](CNC(=O)C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590439918 1166906376 /nfs/dbraw/zinc/90/63/76/1166906376.db2.gz VOFNNKGUAWCLLT-SECBINFHSA-N -1 1 302.342 0.373 20 0 DCADMM CC[C@H](COC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001590448010 1166907139 /nfs/dbraw/zinc/90/71/39/1166907139.db2.gz HUMOJZPNWIFFKY-SNVBAGLBSA-N -1 1 319.321 0.547 20 0 DCADMM CC[C@H](COC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC001590448010 1166907148 /nfs/dbraw/zinc/90/71/48/1166907148.db2.gz HUMOJZPNWIFFKY-SNVBAGLBSA-N -1 1 319.321 0.547 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001590453572 1166909743 /nfs/dbraw/zinc/90/97/43/1166909743.db2.gz MUHIQECSVZMHBR-JGVFFNPUSA-N -1 1 308.321 0.321 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001590453572 1166909748 /nfs/dbraw/zinc/90/97/48/1166909748.db2.gz MUHIQECSVZMHBR-JGVFFNPUSA-N -1 1 308.321 0.321 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590451604 1166911092 /nfs/dbraw/zinc/91/10/92/1166911092.db2.gz IWHUYFGTDXCLTP-SECBINFHSA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590451604 1166911099 /nfs/dbraw/zinc/91/10/99/1166911099.db2.gz IWHUYFGTDXCLTP-SECBINFHSA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@H](NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)c1ncc[nH]1 ZINC001590455093 1166912106 /nfs/dbraw/zinc/91/21/06/1166912106.db2.gz GAOOAASDBGOCCH-SFYZADRCSA-N -1 1 316.329 0.010 20 0 DCADMM CC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001590506522 1166927602 /nfs/dbraw/zinc/92/76/02/1166927602.db2.gz UDWBSHGQXGOHAE-QWRGUYRKSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001590506522 1166927604 /nfs/dbraw/zinc/92/76/04/1166927604.db2.gz UDWBSHGQXGOHAE-QWRGUYRKSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590503025 1166928632 /nfs/dbraw/zinc/92/86/32/1166928632.db2.gz VTJLPQPSVQFFOA-JOYOIKCWSA-N -1 1 317.353 0.886 20 0 DCADMM CC[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590503025 1166928636 /nfs/dbraw/zinc/92/86/36/1166928636.db2.gz VTJLPQPSVQFFOA-JOYOIKCWSA-N -1 1 317.353 0.886 20 0 DCADMM CC[C@H]1CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001590517317 1166932018 /nfs/dbraw/zinc/93/20/18/1166932018.db2.gz CORIFJAHRLFLLK-QMMMGPOBSA-N -1 1 323.382 0.644 20 0 DCADMM CC[C@H]1CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001590517317 1166932023 /nfs/dbraw/zinc/93/20/23/1166932023.db2.gz CORIFJAHRLFLLK-QMMMGPOBSA-N -1 1 323.382 0.644 20 0 DCADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H](C)S1(=O)=O ZINC001590521578 1166933283 /nfs/dbraw/zinc/93/32/83/1166933283.db2.gz LVTATEUXHAKDEW-RKDXNWHRSA-N -1 1 323.382 0.059 20 0 DCADMM CC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@]2(CCOC2)O1 ZINC001590524031 1166933533 /nfs/dbraw/zinc/93/35/33/1166933533.db2.gz MWQRYVHILMOVBF-YGRLFVJLSA-N -1 1 317.353 0.431 20 0 DCADMM CC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@]2(CCOC2)O1 ZINC001590524031 1166933542 /nfs/dbraw/zinc/93/35/42/1166933542.db2.gz MWQRYVHILMOVBF-YGRLFVJLSA-N -1 1 317.353 0.431 20 0 DCADMM CCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590538176 1166940565 /nfs/dbraw/zinc/94/05/65/1166940565.db2.gz GOZMVXMBJTUDLZ-DTORHVGOSA-N -1 1 302.342 0.516 20 0 DCADMM CCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590538176 1166940569 /nfs/dbraw/zinc/94/05/69/1166940569.db2.gz GOZMVXMBJTUDLZ-DTORHVGOSA-N -1 1 302.342 0.516 20 0 DCADMM CCCC(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001590537984 1166940649 /nfs/dbraw/zinc/94/06/49/1166940649.db2.gz KLCAQLUVLAILPN-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001590537984 1166940653 /nfs/dbraw/zinc/94/06/53/1166940653.db2.gz KLCAQLUVLAILPN-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCC[C@@H](CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)OCC ZINC001590557458 1166942193 /nfs/dbraw/zinc/94/21/93/1166942193.db2.gz OZJLJOJIGPKBHN-ZJUUUORDSA-N -1 1 322.373 0.341 20 0 DCADMM CCC[C@H]1C(=O)NCCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590567755 1166944084 /nfs/dbraw/zinc/94/40/84/1166944084.db2.gz RVDWVYMNAKJRAG-JTQLQIEISA-N -1 1 302.342 0.070 20 0 DCADMM CCC[C@H]1C(=O)NCCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590567755 1166944094 /nfs/dbraw/zinc/94/40/94/1166944094.db2.gz RVDWVYMNAKJRAG-JTQLQIEISA-N -1 1 302.342 0.070 20 0 DCADMM CCC[C@@H]1CCCN1C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590568636 1166945050 /nfs/dbraw/zinc/94/50/50/1166945050.db2.gz FKHMSNQFWSMIAZ-NXEZZACHSA-N -1 1 304.358 0.810 20 0 DCADMM CCCCC[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590588367 1166945926 /nfs/dbraw/zinc/94/59/26/1166945926.db2.gz IYXCLTOLXMAILZ-VIFPVBQESA-N -1 1 321.385 0.645 20 0 DCADMM CCCCCN(CC(N)=O)Cc1nc(-c2nnn[n-]2)cs1 ZINC001590596670 1166946304 /nfs/dbraw/zinc/94/63/04/1166946304.db2.gz RESDACPVAXSXEC-UHFFFAOYSA-N -1 1 309.399 0.801 20 0 DCADMM CCCCCN(CC(N)=O)Cc1nc(-c2nn[n-]n2)cs1 ZINC001590596670 1166946308 /nfs/dbraw/zinc/94/63/08/1166946308.db2.gz RESDACPVAXSXEC-UHFFFAOYSA-N -1 1 309.399 0.801 20 0 DCADMM CCCCCC[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590596840 1166946394 /nfs/dbraw/zinc/94/63/94/1166946394.db2.gz YAVSZIFBTUBJIP-SNVBAGLBSA-N -1 1 306.374 0.933 20 0 DCADMM CCCCC(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590571797 1166946542 /nfs/dbraw/zinc/94/65/42/1166946542.db2.gz GZWPYGWEWJMPQF-SNAWJCMRSA-N -1 1 316.369 0.931 20 0 DCADMM CCCCC(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590571797 1166946546 /nfs/dbraw/zinc/94/65/46/1166946546.db2.gz GZWPYGWEWJMPQF-SNAWJCMRSA-N -1 1 316.369 0.931 20 0 DCADMM CCC[C@@H]1CCCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590570554 1166947065 /nfs/dbraw/zinc/94/70/65/1166947065.db2.gz REYQHOKMRBQYIK-SNVBAGLBSA-N -1 1 319.373 0.432 20 0 DCADMM CCCCN(CCCC)C(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001590600907 1166949295 /nfs/dbraw/zinc/94/92/95/1166949295.db2.gz BPBIHJZSSWXCEO-UHFFFAOYSA-N -1 1 306.374 0.887 20 0 DCADMM CCCN(CC(C)C)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590622933 1166950888 /nfs/dbraw/zinc/95/08/88/1166950888.db2.gz LLWRGDIHZAGSDB-UHFFFAOYSA-N -1 1 321.389 0.536 20 0 DCADMM CCCN(CC(=O)OC)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590621811 1166951512 /nfs/dbraw/zinc/95/15/12/1166951512.db2.gz XRFJCRUUKIVARP-UHFFFAOYSA-N -1 1 317.353 0.924 20 0 DCADMM CCCN(CC(=O)OC)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590621811 1166951518 /nfs/dbraw/zinc/95/15/18/1166951518.db2.gz XRFJCRUUKIVARP-UHFFFAOYSA-N -1 1 317.353 0.924 20 0 DCADMM CCCn1ncnc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001590666380 1166962201 /nfs/dbraw/zinc/96/22/01/1166962201.db2.gz OFDDILQQMYEJCQ-UHFFFAOYSA-N -1 1 304.289 0.981 20 0 DCADMM CCCn1nccc1NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC001590665249 1166963338 /nfs/dbraw/zinc/96/33/38/1166963338.db2.gz VDRCHIMWMIZZLW-UHFFFAOYSA-N -1 1 301.314 0.308 20 0 DCADMM CCCn1nccc1NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC001590665249 1166963340 /nfs/dbraw/zinc/96/33/40/1166963340.db2.gz VDRCHIMWMIZZLW-UHFFFAOYSA-N -1 1 301.314 0.308 20 0 DCADMM CCCn1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001590663059 1166963549 /nfs/dbraw/zinc/96/35/49/1166963549.db2.gz OEVIOTSFRVBGCU-UHFFFAOYSA-N -1 1 313.325 0.540 20 0 DCADMM CCN(C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001590667337 1166963868 /nfs/dbraw/zinc/96/38/68/1166963868.db2.gz ZRSOJNRXEKKBLX-UHFFFAOYSA-N -1 1 301.310 0.211 20 0 DCADMM CCN(C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001590667337 1166963873 /nfs/dbraw/zinc/96/38/73/1166963873.db2.gz ZRSOJNRXEKKBLX-UHFFFAOYSA-N -1 1 301.310 0.211 20 0 DCADMM CCN(CC)C(=O)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590684336 1166973908 /nfs/dbraw/zinc/97/39/08/1166973908.db2.gz VWPIBFPMCNUQAI-UHFFFAOYSA-N -1 1 304.310 0.287 20 0 DCADMM CCN(CC)C(=O)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590684336 1166973915 /nfs/dbraw/zinc/97/39/15/1166973915.db2.gz VWPIBFPMCNUQAI-UHFFFAOYSA-N -1 1 304.310 0.287 20 0 DCADMM CCN(c1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H]1CCNC1=O ZINC001590725434 1166984143 /nfs/dbraw/zinc/98/41/43/1166984143.db2.gz XFFRANUAQOFOAX-RXMQYKEDSA-N -1 1 313.774 0.691 20 0 DCADMM CCN(c1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCNC1=O ZINC001590725434 1166984147 /nfs/dbraw/zinc/98/41/47/1166984147.db2.gz XFFRANUAQOFOAX-RXMQYKEDSA-N -1 1 313.774 0.691 20 0 DCADMM CCN1C[C@H](NC(=O)c2csc(-c3nn[n-]n3)c2)CC1=O ZINC001590730678 1166985481 /nfs/dbraw/zinc/98/54/81/1166985481.db2.gz UPVQJENFICUJSZ-MRVPVSSYSA-N -1 1 306.351 0.279 20 0 DCADMM CCN1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1=O ZINC001590731724 1166990371 /nfs/dbraw/zinc/99/03/71/1166990371.db2.gz CVJMXXOOLHQIOR-QMMMGPOBSA-N -1 1 307.745 0.948 20 0 DCADMM CCN1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1=O ZINC001590731724 1166990375 /nfs/dbraw/zinc/99/03/75/1166990375.db2.gz CVJMXXOOLHQIOR-QMMMGPOBSA-N -1 1 307.745 0.948 20 0 DCADMM CCNC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001590737816 1166996556 /nfs/dbraw/zinc/99/65/56/1166996556.db2.gz DXYYCFCOBNIHKV-UHFFFAOYSA-N -1 1 305.342 0.516 20 0 DCADMM CCOC(=O)[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590749773 1167004501 /nfs/dbraw/zinc/00/45/01/1167004501.db2.gz BHKNKPWQGVUAQX-ZETCQYMHSA-N -1 1 307.310 0.697 20 0 DCADMM CCOC(=O)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590749773 1167004506 /nfs/dbraw/zinc/00/45/06/1167004506.db2.gz BHKNKPWQGVUAQX-ZETCQYMHSA-N -1 1 307.310 0.697 20 0 DCADMM CCOC(=O)[C@@H](F)C1CN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001590751977 1167005280 /nfs/dbraw/zinc/00/52/80/1167005280.db2.gz DHDOURAHOOZPDL-NSHDSACASA-N -1 1 321.316 0.303 20 0 DCADMM CCOC(=O)[C@@H](F)C1CN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001590751977 1167005292 /nfs/dbraw/zinc/00/52/92/1167005292.db2.gz DHDOURAHOOZPDL-NSHDSACASA-N -1 1 321.316 0.303 20 0 DCADMM CCOC(=O)[C@@]1(C)CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590756076 1167008870 /nfs/dbraw/zinc/00/88/70/1167008870.db2.gz SFWBBBOXMXOGTO-OTYXRUKQSA-N -1 1 317.353 0.612 20 0 DCADMM CCOC(=O)C12CC(C1)CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001590757613 1167009352 /nfs/dbraw/zinc/00/93/52/1167009352.db2.gz DYWRXPKGVVFXLI-UHFFFAOYSA-N -1 1 301.310 0.189 20 0 DCADMM CCOC(=O)C1(CNc2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001590755127 1167009371 /nfs/dbraw/zinc/00/93/71/1167009371.db2.gz NIFPWVMAGMTIAF-UHFFFAOYSA-N -1 1 303.326 0.720 20 0 DCADMM CCOC(=O)C1(CNc2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001590755127 1167009379 /nfs/dbraw/zinc/00/93/79/1167009379.db2.gz NIFPWVMAGMTIAF-UHFFFAOYSA-N -1 1 303.326 0.720 20 0 DCADMM CCOC(=O)C[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590767131 1167013295 /nfs/dbraw/zinc/01/32/95/1167013295.db2.gz ZJRFQPDEZOTCLM-QMMMGPOBSA-N -1 1 305.294 0.760 20 0 DCADMM CCOC(=O)C[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590767131 1167013301 /nfs/dbraw/zinc/01/33/01/1167013301.db2.gz ZJRFQPDEZOTCLM-QMMMGPOBSA-N -1 1 305.294 0.760 20 0 DCADMM CCOC1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001590784593 1167018912 /nfs/dbraw/zinc/01/89/12/1167018912.db2.gz DCKKHJXWSRAWSJ-UHFFFAOYSA-N -1 1 302.338 0.837 20 0 DCADMM CCOC1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001590784593 1167018920 /nfs/dbraw/zinc/01/89/20/1167018920.db2.gz DCKKHJXWSRAWSJ-UHFFFAOYSA-N -1 1 302.338 0.837 20 0 DCADMM CCOCC(C)(C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590799645 1167024163 /nfs/dbraw/zinc/02/41/63/1167024163.db2.gz KUNYYLAIGUBTQD-UHFFFAOYSA-N -1 1 322.373 0.784 20 0 DCADMM CCOCC(C)(C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590799645 1167024169 /nfs/dbraw/zinc/02/41/69/1167024169.db2.gz KUNYYLAIGUBTQD-UHFFFAOYSA-N -1 1 322.373 0.784 20 0 DCADMM CCOCCO[C@@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590815011 1167028492 /nfs/dbraw/zinc/02/84/92/1167028492.db2.gz NRVIDNKRBOFCQG-JTQLQIEISA-N -1 1 320.353 0.666 20 0 DCADMM CCOCCO[C@@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590815011 1167028497 /nfs/dbraw/zinc/02/84/97/1167028497.db2.gz NRVIDNKRBOFCQG-JTQLQIEISA-N -1 1 320.353 0.666 20 0 DCADMM CCS(=O)(=O)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001590847686 1167035579 /nfs/dbraw/zinc/03/55/79/1167035579.db2.gz XKMBZZIYNZKDSJ-UHFFFAOYSA-N -1 1 323.382 0.060 20 0 DCADMM CCS(=O)(=O)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001590847686 1167035584 /nfs/dbraw/zinc/03/55/84/1167035584.db2.gz XKMBZZIYNZKDSJ-UHFFFAOYSA-N -1 1 323.382 0.060 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H](C)C[S@](C)=O)n1 ZINC001590903683 1167044379 /nfs/dbraw/zinc/04/43/79/1167044379.db2.gz GGZVLASICWJDFB-ZEDNOMKYSA-N -1 1 309.399 0.422 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H](C)C[S@](C)=O)n1 ZINC001590903683 1167044387 /nfs/dbraw/zinc/04/43/87/1167044387.db2.gz GGZVLASICWJDFB-ZEDNOMKYSA-N -1 1 309.399 0.422 20 0 DCADMM CCc1nc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)cs1 ZINC001590910691 1167049915 /nfs/dbraw/zinc/04/99/15/1167049915.db2.gz SFUZLCFMJSHMGB-UHFFFAOYSA-N -1 1 304.339 0.790 20 0 DCADMM CCc1nc(N[C@@H]2C[C@@H](C)n3ncnc32)cc(-c2nnn[n-]2)n1 ZINC001590917768 1167052241 /nfs/dbraw/zinc/05/22/41/1167052241.db2.gz YBKWTEAHVVNXOW-VXNVDRBHSA-N -1 1 312.341 0.929 20 0 DCADMM CCc1nc(N[C@@H]2C[C@@H](C)n3ncnc32)cc(-c2nn[n-]n2)n1 ZINC001590917768 1167052246 /nfs/dbraw/zinc/05/22/46/1167052246.db2.gz YBKWTEAHVVNXOW-VXNVDRBHSA-N -1 1 312.341 0.929 20 0 DCADMM CCc1nnc(Sc2snc(C)c2-c2nnn[n-]2)n1N ZINC001590933955 1167053880 /nfs/dbraw/zinc/05/38/80/1167053880.db2.gz KSYRZECGOWWZAC-UHFFFAOYSA-N -1 1 309.384 0.651 20 0 DCADMM CCc1nnc(Sc2snc(C)c2-c2nn[n-]n2)n1N ZINC001590933955 1167053885 /nfs/dbraw/zinc/05/38/85/1167053885.db2.gz KSYRZECGOWWZAC-UHFFFAOYSA-N -1 1 309.384 0.651 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CCO[C@@H](C)C2)c1=O ZINC001590949496 1167056669 /nfs/dbraw/zinc/05/66/69/1167056669.db2.gz HBGVBQDMICVYQE-UWVGGRQHSA-N -1 1 320.353 0.025 20 0 DCADMM CCn1nc(C)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1C ZINC001590964461 1167061184 /nfs/dbraw/zinc/06/11/84/1167061184.db2.gz AZRXGMGAGIHTLR-UHFFFAOYSA-N -1 1 301.314 0.167 20 0 DCADMM CN(C[C@H]1COCCO1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591064234 1167096868 /nfs/dbraw/zinc/09/68/68/1167096868.db2.gz LZWHUZRXMPJRMM-LURJTMIESA-N -1 1 316.774 0.828 20 0 DCADMM CN(C[C@H]1COCCO1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591064234 1167096873 /nfs/dbraw/zinc/09/68/73/1167096873.db2.gz LZWHUZRXMPJRMM-LURJTMIESA-N -1 1 316.774 0.828 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)C(C)(C)C ZINC001591105821 1167105836 /nfs/dbraw/zinc/10/58/36/1167105836.db2.gz GXPKGYSMHFRPAF-UHFFFAOYSA-N -1 1 304.358 0.573 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)C(C)(C)C ZINC001591105821 1167105839 /nfs/dbraw/zinc/10/58/39/1167105839.db2.gz GXPKGYSMHFRPAF-UHFFFAOYSA-N -1 1 304.358 0.573 20 0 DCADMM CN1C[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)CCC1=O ZINC001591173714 1167130966 /nfs/dbraw/zinc/13/09/66/1167130966.db2.gz XZJJIPAEERVMAV-ZETCQYMHSA-N -1 1 307.335 0.706 20 0 DCADMM CN1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1CO ZINC001591192889 1167143377 /nfs/dbraw/zinc/14/33/77/1167143377.db2.gz QGCGFFQHMVUDCO-LURJTMIESA-N -1 1 315.790 0.089 20 0 DCADMM CNC(=O)C[C@H](C)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591204685 1167152593 /nfs/dbraw/zinc/15/25/93/1167152593.db2.gz PYHOIQAHBLMCCH-LURJTMIESA-N -1 1 324.291 0.399 20 0 DCADMM CNC(=O)C[C@H](C)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591204685 1167152594 /nfs/dbraw/zinc/15/25/94/1167152594.db2.gz PYHOIQAHBLMCCH-LURJTMIESA-N -1 1 324.291 0.399 20 0 DCADMM CNC(=O)OCCOC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591212705 1167159764 /nfs/dbraw/zinc/15/97/64/1167159764.db2.gz XAJXHCRBLSMVKH-UHFFFAOYSA-N -1 1 309.257 0.519 20 0 DCADMM CNC(=O)OCCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591212705 1167159767 /nfs/dbraw/zinc/15/97/67/1167159767.db2.gz XAJXHCRBLSMVKH-UHFFFAOYSA-N -1 1 309.257 0.519 20 0 DCADMM COC(=O)[C@H](C)CN(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591228232 1167165925 /nfs/dbraw/zinc/16/59/25/1167165925.db2.gz DDORPZMYYZVOJC-MRVPVSSYSA-N -1 1 304.310 0.143 20 0 DCADMM COC(=O)[C@H](C)CN(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591228232 1167165932 /nfs/dbraw/zinc/16/59/32/1167165932.db2.gz DDORPZMYYZVOJC-MRVPVSSYSA-N -1 1 304.310 0.143 20 0 DCADMM COC(=O)C(C)(C)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591226967 1167167051 /nfs/dbraw/zinc/16/70/51/1167167051.db2.gz QHENDWITKFRLRB-UHFFFAOYSA-N -1 1 304.310 0.191 20 0 DCADMM COC(=O)C(C)(C)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591226967 1167167055 /nfs/dbraw/zinc/16/70/55/1167167055.db2.gz QHENDWITKFRLRB-UHFFFAOYSA-N -1 1 304.310 0.191 20 0 DCADMM COC(=O)[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591244623 1167174428 /nfs/dbraw/zinc/17/44/28/1167174428.db2.gz YIIMMRCPRFBDCD-AWEZNQCLSA-N -1 1 319.321 0.793 20 0 DCADMM COC(=O)[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591244623 1167174433 /nfs/dbraw/zinc/17/44/33/1167174433.db2.gz YIIMMRCPRFBDCD-AWEZNQCLSA-N -1 1 319.321 0.793 20 0 DCADMM COC(=O)[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001591249623 1167176761 /nfs/dbraw/zinc/17/67/61/1167176761.db2.gz ZWTSKSDSZMMBPR-SECBINFHSA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)C[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001591261626 1167183204 /nfs/dbraw/zinc/18/32/04/1167183204.db2.gz RYPFBBDYEAYUDH-VIFPVBQESA-N -1 1 303.326 0.579 20 0 DCADMM COC(=O)C[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001591261626 1167183210 /nfs/dbraw/zinc/18/32/10/1167183210.db2.gz RYPFBBDYEAYUDH-VIFPVBQESA-N -1 1 303.326 0.579 20 0 DCADMM COC(=O)NCCC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001591274745 1167194258 /nfs/dbraw/zinc/19/42/58/1167194258.db2.gz KPTWHFNQBXWREB-UHFFFAOYSA-N -1 1 306.282 0.023 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591278178 1167195252 /nfs/dbraw/zinc/19/52/52/1167195252.db2.gz STNDFLWQCYVAIM-JGVFFNPUSA-N -1 1 302.294 0.399 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591278178 1167195271 /nfs/dbraw/zinc/19/52/71/1167195271.db2.gz STNDFLWQCYVAIM-JGVFFNPUSA-N -1 1 302.294 0.399 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1ncncc1-c1nn[n-]n1)C2 ZINC001591282301 1167197478 /nfs/dbraw/zinc/19/74/78/1167197478.db2.gz JLXJKKFQFOVUOK-UJVNDKKSSA-N -1 1 301.310 0.410 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1cc(-c3nnn[n-]3)ncn1)C2 ZINC001591282325 1167199103 /nfs/dbraw/zinc/19/91/03/1167199103.db2.gz LDXPRHPPGLJCNE-UJVNDKKSSA-N -1 1 301.310 0.410 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1cc(-c3nn[n-]n3)ncn1)C2 ZINC001591282325 1167199106 /nfs/dbraw/zinc/19/91/06/1167199106.db2.gz LDXPRHPPGLJCNE-UJVNDKKSSA-N -1 1 301.310 0.410 20 0 DCADMM COC(=O)c1ccc(NC[C@]2(C)CCOC2)c(-c2nnn[n-]2)n1 ZINC001591295752 1167204401 /nfs/dbraw/zinc/20/44/01/1167204401.db2.gz NLTFBWALSVQSAV-AWEZNQCLSA-N -1 1 318.337 0.887 20 0 DCADMM COC(=O)c1ccc(NC[C@]2(C)CCOC2)c(-c2nn[n-]n2)n1 ZINC001591295752 1167204403 /nfs/dbraw/zinc/20/44/03/1167204403.db2.gz NLTFBWALSVQSAV-AWEZNQCLSA-N -1 1 318.337 0.887 20 0 DCADMM CO[C@H](C)c1noc(Cn2c(C)c(C)nc2-c2nnn[n-]2)n1 ZINC001591325044 1167214483 /nfs/dbraw/zinc/21/44/83/1167214483.db2.gz JUGJSOJENYAIQD-MRVPVSSYSA-N -1 1 304.314 0.819 20 0 DCADMM CO[C@H](C)c1noc(Cn2c(C)c(C)nc2-c2nn[n-]n2)n1 ZINC001591325044 1167214487 /nfs/dbraw/zinc/21/44/87/1167214487.db2.gz JUGJSOJENYAIQD-MRVPVSSYSA-N -1 1 304.314 0.819 20 0 DCADMM COC1(C(F)(F)F)CN(c2nccnc2-c2nnn[n-]2)C1 ZINC001591338402 1167222742 /nfs/dbraw/zinc/22/27/42/1167222742.db2.gz FJDZFHNGQNJULQ-UHFFFAOYSA-N -1 1 301.232 0.424 20 0 DCADMM COC1(C(F)(F)F)CN(c2nccnc2-c2nn[n-]n2)C1 ZINC001591338402 1167222746 /nfs/dbraw/zinc/22/27/46/1167222746.db2.gz FJDZFHNGQNJULQ-UHFFFAOYSA-N -1 1 301.232 0.424 20 0 DCADMM CO[C@@]1(C(F)(F)F)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001591338253 1167223722 /nfs/dbraw/zinc/22/37/22/1167223722.db2.gz NYRYPMBIUSLMMW-JTQLQIEISA-N -1 1 315.259 0.814 20 0 DCADMM CO[C@@]1(C(F)(F)F)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001591338253 1167223730 /nfs/dbraw/zinc/22/37/30/1167223730.db2.gz NYRYPMBIUSLMMW-JTQLQIEISA-N -1 1 315.259 0.814 20 0 DCADMM CO[C@@]1(C(F)(F)F)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001591338916 1167224036 /nfs/dbraw/zinc/22/40/36/1167224036.db2.gz UUGVDZMQUZYLHS-JTQLQIEISA-N -1 1 315.259 0.814 20 0 DCADMM CO[C@@H]1CC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591350096 1167228637 /nfs/dbraw/zinc/22/86/37/1167228637.db2.gz DERCTZAEAUEGCN-DTWKUNHWSA-N -1 1 303.326 0.951 20 0 DCADMM CO[C@@H]1CC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591350096 1167228641 /nfs/dbraw/zinc/22/86/41/1167228641.db2.gz 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315.305 0.253 20 0 DCADMM CS[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001591693598 1167357262 /nfs/dbraw/zinc/35/72/62/1167357262.db2.gz MTWMQQFDGWSQAD-ZETCQYMHSA-N -1 1 308.371 0.569 20 0 DCADMM CS[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001591693598 1167357266 /nfs/dbraw/zinc/35/72/66/1167357266.db2.gz MTWMQQFDGWSQAD-ZETCQYMHSA-N -1 1 308.371 0.569 20 0 DCADMM CSCc1cccnc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001591700870 1167358513 /nfs/dbraw/zinc/35/85/13/1167358513.db2.gz UDEXJHCWRVMBFW-UHFFFAOYSA-N -1 1 316.350 0.592 20 0 DCADMM C[C@@H]1[C@H](O)CCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591758017 1167369432 /nfs/dbraw/zinc/36/94/32/1167369432.db2.gz HVJDHIHMRQPNIG-LHLIQPBNSA-N -1 1 309.276 0.740 20 0 DCADMM C[C@@H]1[C@H](O)CCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591758017 1167369437 /nfs/dbraw/zinc/36/94/37/1167369437.db2.gz HVJDHIHMRQPNIG-LHLIQPBNSA-N -1 1 309.276 0.740 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@H](C)C(C)(C)C)c(=O)n1C ZINC001591794051 1167381740 /nfs/dbraw/zinc/38/17/40/1167381740.db2.gz WDMIUNDCBGDZGG-QMMMGPOBSA-N -1 1 306.370 0.718 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCCn2cccn2)nn1C ZINC001591798517 1167383019 /nfs/dbraw/zinc/38/30/19/1167383019.db2.gz LREARDLURANZAM-UHFFFAOYSA-N -1 1 315.341 0.524 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCCn2cccn2)nn1C ZINC001591798517 1167383023 /nfs/dbraw/zinc/38/30/23/1167383023.db2.gz LREARDLURANZAM-UHFFFAOYSA-N -1 1 315.341 0.524 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@]23CCOC3)nn1C ZINC001591799970 1167384646 /nfs/dbraw/zinc/38/46/46/1167384646.db2.gz VSGJIELELUEPLK-SDBXPKJASA-N -1 1 303.326 0.274 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@]23CCOC3)nn1C ZINC001591799970 1167384653 /nfs/dbraw/zinc/38/46/53/1167384653.db2.gz VSGJIELELUEPLK-SDBXPKJASA-N -1 1 303.326 0.274 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@H]2C[C@H]2C1 ZINC001591835410 1167390788 /nfs/dbraw/zinc/39/07/88/1167390788.db2.gz WNYAXYAAMDVVHY-IUCAKERBSA-N -1 1 300.322 0.758 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)C[C@@H]1CCOC1 ZINC001591833470 1167391120 /nfs/dbraw/zinc/39/11/20/1167391120.db2.gz BDHJRHDXAOUVFO-VIFPVBQESA-N -1 1 318.337 0.384 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2C2OCCO2)n1 ZINC001591889051 1167410772 /nfs/dbraw/zinc/41/07/72/1167410772.db2.gz OCRYCLNPZGCROV-SNVBAGLBSA-N -1 1 303.326 0.307 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2C2OCCO2)n1 ZINC001591889051 1167410773 /nfs/dbraw/zinc/41/07/73/1167410773.db2.gz OCRYCLNPZGCROV-SNVBAGLBSA-N -1 1 303.326 0.307 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(SC[C@@H]2CN(C)CCO2)n1 ZINC001591902952 1167415916 /nfs/dbraw/zinc/41/59/16/1167415916.db2.gz CERKMWRCPCICDH-VIFPVBQESA-N -1 1 307.383 0.388 20 0 DCADMM Cc1cc(C(=O)Cn2cnc(-c3nn[n-]n3)cc2=O)c(C)n1C ZINC001591908371 1167416172 /nfs/dbraw/zinc/41/61/72/1167416172.db2.gz ZAAUGNDNMLBJNX-UHFFFAOYSA-N -1 1 313.321 0.262 20 0 DCADMM Cc1cc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)n(C)n1 ZINC001591937263 1167422516 /nfs/dbraw/zinc/42/25/16/1167422516.db2.gz CQUPMMZSWDGZBT-UHFFFAOYSA-N -1 1 305.323 0.722 20 0 DCADMM Cc1cc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)n(C)n1 ZINC001591937263 1167422519 /nfs/dbraw/zinc/42/25/19/1167422519.db2.gz CQUPMMZSWDGZBT-UHFFFAOYSA-N -1 1 305.323 0.722 20 0 DCADMM Cc1cc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c[nH]c1=O ZINC001592016719 1167434490 /nfs/dbraw/zinc/43/44/90/1167434490.db2.gz WSBAUHWXNOFJBN-ZETCQYMHSA-N -1 1 315.297 0.067 20 0 DCADMM Cc1cc(NC[C@@H](C(=O)[O-])C2CCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592038540 1167440844 /nfs/dbraw/zinc/44/08/44/1167440844.db2.gz JQQBWXOAOYVIHP-SNVBAGLBSA-N -1 1 302.338 0.905 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCS(=O)(=O)[C@H](C)C1 ZINC001592112915 1167458147 /nfs/dbraw/zinc/45/81/47/1167458147.db2.gz BRQZPIZPMDDEMZ-SECBINFHSA-N -1 1 308.367 0.193 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCS(=O)(=O)[C@H](C)C1 ZINC001592112915 1167458150 /nfs/dbraw/zinc/45/81/50/1167458150.db2.gz BRQZPIZPMDDEMZ-SECBINFHSA-N -1 1 308.367 0.193 20 0 DCADMM Cc1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)nc1-c1nnn[n-]1 ZINC001592174945 1167467857 /nfs/dbraw/zinc/46/78/57/1167467857.db2.gz MWUSDFNTZUJGCV-SNVBAGLBSA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)nc1-c1nn[n-]n1 ZINC001592174945 1167467860 /nfs/dbraw/zinc/46/78/60/1167467860.db2.gz MWUSDFNTZUJGCV-SNVBAGLBSA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(NC[C@H]2CCCS(=O)(=O)C2)c(-c2nnn[n-]2)n1 ZINC001592182846 1167469670 /nfs/dbraw/zinc/46/96/70/1167469670.db2.gz BQGMGYSUJWMLQI-SNVBAGLBSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(NC[C@H]2CCCS(=O)(=O)C2)c(-c2nn[n-]n2)n1 ZINC001592182846 1167469681 /nfs/dbraw/zinc/46/96/81/1167469681.db2.gz BQGMGYSUJWMLQI-SNVBAGLBSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(NCC[C@@H]2CC(=O)N(C)C2)c(-c2nnn[n-]2)n1 ZINC001592183573 1167470609 /nfs/dbraw/zinc/47/06/09/1167470609.db2.gz UPFMRUMYTZHZQN-SNVBAGLBSA-N -1 1 301.354 0.850 20 0 DCADMM Cc1ccc(NCC[C@@H]2CC(=O)N(C)C2)c(-c2nn[n-]n2)n1 ZINC001592183573 1167470613 /nfs/dbraw/zinc/47/06/13/1167470613.db2.gz UPFMRUMYTZHZQN-SNVBAGLBSA-N -1 1 301.354 0.850 20 0 DCADMM Cc1ccc(N2CC[C@H](N3CCOC3=O)C2)c(-c2nnn[n-]2)n1 ZINC001592178013 1167471151 /nfs/dbraw/zinc/47/11/51/1167471151.db2.gz RYOBYPJFOMNJDH-JTQLQIEISA-N -1 1 315.337 0.601 20 0 DCADMM Cc1ccc(N2CC[C@H](N3CCOC3=O)C2)c(-c2nn[n-]n2)n1 ZINC001592178013 1167471155 /nfs/dbraw/zinc/47/11/55/1167471155.db2.gz RYOBYPJFOMNJDH-JTQLQIEISA-N -1 1 315.337 0.601 20 0 DCADMM Cc1ccc(NC[C@@H](O)c2ccnn2C)nc1-c1nnn[n-]1 ZINC001592182808 1167471237 /nfs/dbraw/zinc/47/12/37/1167471237.db2.gz AJIFHEHBJGJYMQ-SNVBAGLBSA-N -1 1 300.326 0.449 20 0 DCADMM Cc1ccc(NC[C@@H](O)c2ccnn2C)nc1-c1nn[n-]n1 ZINC001592182808 1167471242 /nfs/dbraw/zinc/47/12/42/1167471242.db2.gz AJIFHEHBJGJYMQ-SNVBAGLBSA-N -1 1 300.326 0.449 20 0 DCADMM Cc1ccc(N2CCC3(CCNC3=O)CC2)c(-c2nnn[n-]2)n1 ZINC001592177912 1167471443 /nfs/dbraw/zinc/47/14/43/1167471443.db2.gz OFSPEYRUXSUCBE-UHFFFAOYSA-N -1 1 313.365 0.677 20 0 DCADMM Cc1ccc(N2CCC3(CCNC3=O)CC2)c(-c2nn[n-]n2)n1 ZINC001592177912 1167471447 /nfs/dbraw/zinc/47/14/47/1167471447.db2.gz OFSPEYRUXSUCBE-UHFFFAOYSA-N -1 1 313.365 0.677 20 0 DCADMM Cc1ccc(NCC2(S(C)(=O)=O)CCC2)c(-c2nnn[n-]2)n1 ZINC001592183926 1167473610 /nfs/dbraw/zinc/47/36/10/1167473610.db2.gz YZABSHBILJKYMA-UHFFFAOYSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(NCC2(S(C)(=O)=O)CCC2)c(-c2nn[n-]n2)n1 ZINC001592183926 1167473616 /nfs/dbraw/zinc/47/36/16/1167473616.db2.gz YZABSHBILJKYMA-UHFFFAOYSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(S(=O)(=O)Oc2cccnc2-c2nn[n-]n2)cn1 ZINC001592195704 1167476356 /nfs/dbraw/zinc/47/63/56/1167476356.db2.gz NPVNRDUQPNZRJW-UHFFFAOYSA-N -1 1 318.318 0.733 20 0 DCADMM Cc1cccc(C[C@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001592230607 1167477895 /nfs/dbraw/zinc/47/78/95/1167477895.db2.gz YSHCXHJYINJTJM-GFCCVEGCSA-N -1 1 311.349 0.403 20 0 DCADMM Cc1ccn(CN2CC[C@@H](OC(C)C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592267299 1167480532 /nfs/dbraw/zinc/48/05/32/1167480532.db2.gz OOHGJEBPSBFLTK-GFCCVEGCSA-N -1 1 318.381 0.794 20 0 DCADMM Cc1ccn([C@H](C)CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001592264698 1167480934 /nfs/dbraw/zinc/48/09/34/1167480934.db2.gz AHWSUODDLWKZOX-MRVPVSSYSA-N -1 1 301.314 0.685 20 0 DCADMM Cc1ccn([C@H](C)CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001592264698 1167480940 /nfs/dbraw/zinc/48/09/40/1167480940.db2.gz AHWSUODDLWKZOX-MRVPVSSYSA-N -1 1 301.314 0.685 20 0 DCADMM Cc1cnc(CC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)s1 ZINC001592292339 1167483907 /nfs/dbraw/zinc/48/39/07/1167483907.db2.gz CGERUDNZDVCMNT-UHFFFAOYSA-N -1 1 304.339 0.844 20 0 DCADMM Cc1ccoc1COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592284321 1167485473 /nfs/dbraw/zinc/48/54/73/1167485473.db2.gz WLSNRSYFONGEKO-QMMMGPOBSA-N -1 1 303.282 0.664 20 0 DCADMM Cc1cnccc1C=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001592299992 1167485647 /nfs/dbraw/zinc/48/56/47/1167485647.db2.gz YDKRDHNDKCAPQZ-ARJAWSKDSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1cnccc1C=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001592299992 1167485650 /nfs/dbraw/zinc/48/56/50/1167485650.db2.gz YDKRDHNDKCAPQZ-ARJAWSKDSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1[nH]nc(NC(=O)Cn2cc(C3CC3)cn2)c1-c1nn[n-]n1 ZINC001592331150 1167490519 /nfs/dbraw/zinc/49/05/19/1167490519.db2.gz YAPZUAMXBLRMFC-UHFFFAOYSA-N -1 1 313.325 0.611 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnn(C(C)C)c2N)c1-c1nn[n-]n1 ZINC001592331286 1167491169 /nfs/dbraw/zinc/49/11/69/1167491169.db2.gz YXXHTSRVFQQBCK-UHFFFAOYSA-N -1 1 316.329 0.510 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)n1 ZINC001592338020 1167494312 /nfs/dbraw/zinc/49/43/12/1167494312.db2.gz SPPZJXISAMFGFI-NXEZZACHSA-N -1 1 314.353 0.070 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)n1 ZINC001592338020 1167494316 /nfs/dbraw/zinc/49/43/16/1167494316.db2.gz SPPZJXISAMFGFI-NXEZZACHSA-N -1 1 314.353 0.070 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCCC[C@@H]2[C@@H](C)CO)n1 ZINC001592341308 1167495485 /nfs/dbraw/zinc/49/54/85/1167495485.db2.gz PIJAWVCUUOAAGK-JOYOIKCWSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCCC[C@@H]2[C@@H](C)CO)n1 ZINC001592341308 1167495487 /nfs/dbraw/zinc/49/54/87/1167495487.db2.gz PIJAWVCUUOAAGK-JOYOIKCWSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCN3CC(F)(F)C[C@H]3C2)n1 ZINC001592339790 1167496255 /nfs/dbraw/zinc/49/62/55/1167496255.db2.gz CYWHKLAHQJPVPV-VIFPVBQESA-N -1 1 322.323 0.495 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCN3CC(F)(F)C[C@H]3C2)n1 ZINC001592339790 1167496257 /nfs/dbraw/zinc/49/62/57/1167496257.db2.gz CYWHKLAHQJPVPV-VIFPVBQESA-N -1 1 322.323 0.495 20 0 DCADMM Cc1nc([C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)o3)C2)no1 ZINC001592357908 1167503471 /nfs/dbraw/zinc/50/34/71/1167503471.db2.gz IRBRLSBQGRKLTP-MRVPVSSYSA-N -1 1 315.293 0.781 20 0 DCADMM Cc1nc([C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)o3)C2)no1 ZINC001592357908 1167503475 /nfs/dbraw/zinc/50/34/75/1167503475.db2.gz IRBRLSBQGRKLTP-MRVPVSSYSA-N -1 1 315.293 0.781 20 0 DCADMM Cc1nc(CCNC(=O)c2ccnc(-c3nnn[n-]3)c2)cs1 ZINC001592360123 1167505374 /nfs/dbraw/zinc/50/53/74/1167505374.db2.gz VOHKDPVSTNUZED-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1nc(CCNC(=O)c2ccnc(-c3nn[n-]n3)c2)cs1 ZINC001592360123 1167505380 /nfs/dbraw/zinc/50/53/80/1167505380.db2.gz VOHKDPVSTNUZED-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1nc(C)c(Cn2nc(C)c(C)c(-c3nnn[n-]3)c2=O)[nH]1 ZINC001592357190 1167505527 /nfs/dbraw/zinc/50/55/27/1167505527.db2.gz GWUYFVVEFMCOCM-UHFFFAOYSA-N -1 1 300.326 0.428 20 0 DCADMM Cc1nc(C)c(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)[nH]1 ZINC001592357190 1167505532 /nfs/dbraw/zinc/50/55/32/1167505532.db2.gz GWUYFVVEFMCOCM-UHFFFAOYSA-N -1 1 300.326 0.428 20 0 DCADMM Cc1nccc(N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001592416491 1167517216 /nfs/dbraw/zinc/51/72/16/1167517216.db2.gz CMLRFBZCSSWRSF-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nccc(N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001592416491 1167517222 /nfs/dbraw/zinc/51/72/22/1167517222.db2.gz CMLRFBZCSSWRSF-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nn(C[C@H]2CC[C@H](C3CC3)O2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436667 1167522822 /nfs/dbraw/zinc/52/28/22/1167522822.db2.gz YERZXULFDAYNER-VXGBXAGGSA-N -1 1 316.365 0.998 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H](C)[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC001592442787 1167525395 /nfs/dbraw/zinc/52/53/95/1167525395.db2.gz PHZGRBYAXDQLHV-CBAPKCEASA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H](C)[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001592442787 1167525399 /nfs/dbraw/zinc/52/53/99/1167525399.db2.gz PHZGRBYAXDQLHV-CBAPKCEASA-N -1 1 305.342 0.662 20 0 DCADMM Cc1noc([C@@H](C)OC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592456868 1167530449 /nfs/dbraw/zinc/53/04/49/1167530449.db2.gz MMMQQBBTVOYTKV-ZCFIWIBFSA-N -1 1 301.266 0.871 20 0 DCADMM Cc1noc([C@@H](C)OC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592456868 1167530453 /nfs/dbraw/zinc/53/04/53/1167530453.db2.gz MMMQQBBTVOYTKV-ZCFIWIBFSA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nsc(N(C)CCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC001592469117 1167533227 /nfs/dbraw/zinc/53/32/27/1167533227.db2.gz IGIJSGIHDVKQQL-UHFFFAOYSA-N -1 1 302.385 0.112 20 0 DCADMM Cc1nsc(NCc2cc(C(N)=O)co2)c1-c1nn[n-]n1 ZINC001592493202 1167536372 /nfs/dbraw/zinc/53/63/72/1167536372.db2.gz REQNILXPIVGMJW-UHFFFAOYSA-N -1 1 305.323 0.936 20 0 DCADMM Cc1nsc(NC[C@@H]2CCN(C(N)=O)C2)c1-c1nn[n-]n1 ZINC001592489132 1167537062 /nfs/dbraw/zinc/53/70/62/1167537062.db2.gz JSNHVENCKHVSOQ-ZETCQYMHSA-N -1 1 308.371 0.444 20 0 DCADMM Cc1nsc(NCCNc2ccn(C)n2)c1-c1nn[n-]n1 ZINC001592491572 1167538003 /nfs/dbraw/zinc/53/80/03/1167538003.db2.gz QDSRPXZTCJFJNV-UHFFFAOYSA-N -1 1 305.371 0.889 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](CO)c1ccccn1 ZINC001592500879 1167540349 /nfs/dbraw/zinc/54/03/49/1167540349.db2.gz ZMVMBBULILJNRV-LLVKDONJSA-N -1 1 314.305 0.627 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](CO)c1ccccn1 ZINC001592500879 1167540358 /nfs/dbraw/zinc/54/03/58/1167540358.db2.gz ZMVMBBULILJNRV-LLVKDONJSA-N -1 1 314.305 0.627 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC001592501265 1167542389 /nfs/dbraw/zinc/54/23/89/1167542389.db2.gz FJBOQQBTENTPED-GHMZBOCLSA-N -1 1 303.322 0.923 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC001592501265 1167542394 /nfs/dbraw/zinc/54/23/94/1167542394.db2.gz FJBOQQBTENTPED-GHMZBOCLSA-N -1 1 303.322 0.923 20 0 DCADMM Cc1onc(CC(=O)N(C)[C@H]2CC[C@H](O)CC2)c1-c1nnn[n-]1 ZINC001592515214 1167545478 /nfs/dbraw/zinc/54/54/78/1167545478.db2.gz PXQAJEMEBNUBAR-MGCOHNPYSA-N -1 1 320.353 0.468 20 0 DCADMM Cc1onc(CC(=O)N(C)[C@H]2CC[C@H](O)CC2)c1-c1nn[n-]n1 ZINC001592515214 1167545484 /nfs/dbraw/zinc/54/54/84/1167545484.db2.gz PXQAJEMEBNUBAR-MGCOHNPYSA-N -1 1 320.353 0.468 20 0 DCADMM Cc1onc(CC(=O)N2CCCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001592516197 1167546143 /nfs/dbraw/zinc/54/61/43/1167546143.db2.gz XQTDPUCNXZDVBC-UHFFFAOYSA-N -1 1 312.280 0.963 20 0 DCADMM Cc1onc(CC(=O)N2CCCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001592516197 1167546150 /nfs/dbraw/zinc/54/61/50/1167546150.db2.gz XQTDPUCNXZDVBC-UHFFFAOYSA-N -1 1 312.280 0.963 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCOC[C@@H]2C)c1-c1nnn[n-]1 ZINC001592517837 1167548497 /nfs/dbraw/zinc/54/84/97/1167548497.db2.gz UASFPJFKKTXCKP-CBAPKCEASA-N -1 1 306.326 0.247 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCOC[C@@H]2C)c1-c1nn[n-]n1 ZINC001592517837 1167548505 /nfs/dbraw/zinc/54/85/05/1167548505.db2.gz UASFPJFKKTXCKP-CBAPKCEASA-N -1 1 306.326 0.247 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCOC(C)(C)C2)n1 ZINC001592558683 1167558482 /nfs/dbraw/zinc/55/84/82/1167558482.db2.gz GCVLEJAQAWWMEY-MRVPVSSYSA-N -1 1 305.342 0.744 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCOC(C)(C)C2)n1 ZINC001592558683 1167558487 /nfs/dbraw/zinc/55/84/87/1167558487.db2.gz GCVLEJAQAWWMEY-MRVPVSSYSA-N -1 1 305.342 0.744 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCSC2)n1 ZINC001592559614 1167559933 /nfs/dbraw/zinc/55/99/33/1167559933.db2.gz AISGSJFRKPWXOF-ZETCQYMHSA-N -1 1 308.371 0.475 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCSC2)n1 ZINC001592559614 1167559939 /nfs/dbraw/zinc/55/99/39/1167559939.db2.gz AISGSJFRKPWXOF-ZETCQYMHSA-N -1 1 308.371 0.475 20 0 DCADMM Cn1cc(CC(=O)OCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001592571215 1167565865 /nfs/dbraw/zinc/56/58/65/1167565865.db2.gz SXXCOZHEJBXHIM-UHFFFAOYSA-N -1 1 304.335 0.948 20 0 DCADMM Cn1cc(CC2CN(C(=O)c3cccc(-c4nnn[n-]4)n3)C2)cn1 ZINC001592571042 1167566360 /nfs/dbraw/zinc/56/63/60/1167566360.db2.gz NHVKAOLYFIZVDG-UHFFFAOYSA-N -1 1 324.348 0.310 20 0 DCADMM Cn1cc(CC2CN(C(=O)c3cccc(-c4nn[n-]n4)n3)C2)cn1 ZINC001592571042 1167566366 /nfs/dbraw/zinc/56/63/66/1167566366.db2.gz NHVKAOLYFIZVDG-UHFFFAOYSA-N -1 1 324.348 0.310 20 0 DCADMM Cn1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1=O ZINC001592580415 1167567621 /nfs/dbraw/zinc/56/76/21/1167567621.db2.gz GJTQAANWOPRTHM-UHFFFAOYSA-N -1 1 311.305 0.142 20 0 DCADMM Cn1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1=O ZINC001592580415 1167567625 /nfs/dbraw/zinc/56/76/25/1167567625.db2.gz GJTQAANWOPRTHM-UHFFFAOYSA-N -1 1 311.305 0.142 20 0 DCADMM Cn1ccnc1CCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592585041 1167571812 /nfs/dbraw/zinc/57/18/12/1167571812.db2.gz LBCIGIQMLTXOIG-UHFFFAOYSA-N -1 1 312.337 0.244 20 0 DCADMM Cn1ncc(C(=O)COC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC001592597321 1167575417 /nfs/dbraw/zinc/57/54/17/1167575417.db2.gz DJQDQJPSBZBRDL-UHFFFAOYSA-N -1 1 319.306 0.096 20 0 DCADMM FC(F)(F)[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)O1 ZINC001592614182 1167587034 /nfs/dbraw/zinc/58/70/34/1167587034.db2.gz TXHRAMCZECPQLE-NKWVEPMBSA-N -1 1 315.259 0.600 20 0 DCADMM NC(=O)CN(C(=O)c1cccc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001592728764 1167618674 /nfs/dbraw/zinc/61/86/74/1167618674.db2.gz WGAFGCIGNYIMOO-UHFFFAOYSA-N -1 1 315.337 0.132 20 0 DCADMM NC(=O)CN(C(=O)c1cccc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001592728764 1167618676 /nfs/dbraw/zinc/61/86/76/1167618676.db2.gz WGAFGCIGNYIMOO-UHFFFAOYSA-N -1 1 315.337 0.132 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1coc(-c2cccnc2)n1 ZINC001592753369 1167630731 /nfs/dbraw/zinc/63/07/31/1167630731.db2.gz WNAIRCUXTGMOOO-UHFFFAOYSA-N -1 1 323.276 0.384 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CN1CCc2ccccc21 ZINC001592753267 1167631146 /nfs/dbraw/zinc/63/11/46/1167631146.db2.gz NSJLDUKRDGAFJB-UHFFFAOYSA-N -1 1 310.321 0.348 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cncc(F)c1Cl ZINC001592752933 1167631308 /nfs/dbraw/zinc/63/13/08/1167631308.db2.gz HRCVZNWKIQQCJP-UHFFFAOYSA-N -1 1 308.664 0.521 20 0 DCADMM Nc1nc(N)nc(Sc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001592761700 1167637612 /nfs/dbraw/zinc/63/76/12/1167637612.db2.gz SVPPBEBCPXUUHQ-UHFFFAOYSA-N -1 1 305.302 0.506 20 0 DCADMM O=C(CNc1nc(Cl)c(-c2nnn[n-]2)s1)N1CCCO1 ZINC001592878721 1167655928 /nfs/dbraw/zinc/65/59/28/1167655928.db2.gz OXWHBVBREHQJGX-UHFFFAOYSA-N -1 1 315.746 0.552 20 0 DCADMM O=C(CNc1nc(Cl)c(-c2nn[n-]n2)s1)N1CCCO1 ZINC001592878721 1167655933 /nfs/dbraw/zinc/65/59/33/1167655933.db2.gz OXWHBVBREHQJGX-UHFFFAOYSA-N -1 1 315.746 0.552 20 0 DCADMM O=C(COc1cnc(-c2nn[n-]n2)nc1)NC1CCCCCC1 ZINC001592900542 1167661912 /nfs/dbraw/zinc/66/19/12/1167661912.db2.gz ZXARGXXCESONDY-UHFFFAOYSA-N -1 1 317.353 0.875 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NOCc1cccnc1 ZINC001592916098 1167664523 /nfs/dbraw/zinc/66/45/23/1167664523.db2.gz YREDRNMEUNDUHY-UHFFFAOYSA-N -1 1 311.305 0.447 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1c[nH]nc1Cl ZINC001592915599 1167665226 /nfs/dbraw/zinc/66/52/26/1167665226.db2.gz NADKQQJAQQTDQE-UHFFFAOYSA-N -1 1 304.701 0.819 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1c[nH]nc1Cl ZINC001592915599 1167665228 /nfs/dbraw/zinc/66/52/28/1167665228.db2.gz NADKQQJAQQTDQE-UHFFFAOYSA-N -1 1 304.701 0.819 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC001592915535 1167665264 /nfs/dbraw/zinc/66/52/64/1167665264.db2.gz PLPMMLDPQHPOQI-DGCLKSJQSA-N -1 1 314.349 0.488 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC001592915535 1167665266 /nfs/dbraw/zinc/66/52/66/1167665266.db2.gz PLPMMLDPQHPOQI-DGCLKSJQSA-N -1 1 314.349 0.488 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)ccc1=O)NC(C1CC1)C1CC1 ZINC001592936595 1167667913 /nfs/dbraw/zinc/66/79/13/1167667913.db2.gz RIGLCVXZUWVIFD-UHFFFAOYSA-N -1 1 314.349 0.333 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)c1c[nH]c2ncccc12 ZINC001592940505 1167669116 /nfs/dbraw/zinc/66/91/16/1167669116.db2.gz KTXFLBZIUOFSEB-UHFFFAOYSA-N -1 1 322.288 0.183 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCC[C@@H]1C=CCC1 ZINC001592941115 1167670150 /nfs/dbraw/zinc/67/01/50/1167670150.db2.gz TUMLHBXGZGWPAA-SNVBAGLBSA-N -1 1 302.342 0.321 20 0 DCADMM O=C(N[C@@H](CO)C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001592953830 1167672663 /nfs/dbraw/zinc/67/26/63/1167672663.db2.gz PFKQIFILACINOZ-RKDXNWHRSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@@H](CO)C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001592953830 1167672666 /nfs/dbraw/zinc/67/26/66/1167672666.db2.gz PFKQIFILACINOZ-RKDXNWHRSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(NC1CC1)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592967173 1167677285 /nfs/dbraw/zinc/67/72/85/1167677285.db2.gz KQNMQSGCZJKYCC-UHFFFAOYSA-N -1 1 319.394 0.922 20 0 DCADMM O=C(N[C@H]1CC12CC(O)C2)c1cccc(F)c1-c1nnn[n-]1 ZINC001592966893 1167677504 /nfs/dbraw/zinc/67/75/04/1167677504.db2.gz MBHANYRGLQSSST-YGVRBULQSA-N -1 1 303.297 0.649 20 0 DCADMM O=C(N[C@H]1CC12CC(O)C2)c1cccc(F)c1-c1nn[n-]n1 ZINC001592966893 1167677508 /nfs/dbraw/zinc/67/75/08/1167677508.db2.gz MBHANYRGLQSSST-YGVRBULQSA-N -1 1 303.297 0.649 20 0 DCADMM O=C(NCCCNc1cncc(-c2nnn[n-]2)n1)c1ccoc1 ZINC001593077871 1167700734 /nfs/dbraw/zinc/70/07/34/1167700734.db2.gz LKLVKPIIOFQJJM-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCCNc1cncc(-c2nn[n-]n2)n1)c1ccoc1 ZINC001593077871 1167700740 /nfs/dbraw/zinc/70/07/40/1167700740.db2.gz LKLVKPIIOFQJJM-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCC1(F)F ZINC001593089793 1167703741 /nfs/dbraw/zinc/70/37/41/1167703741.db2.gz NESYOJGXPQWRQR-ZETCQYMHSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCC1(F)F ZINC001593089793 1167703748 /nfs/dbraw/zinc/70/37/48/1167703748.db2.gz NESYOJGXPQWRQR-ZETCQYMHSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)[C@@H]1CC=CCC1 ZINC001593095612 1167705696 /nfs/dbraw/zinc/70/56/96/1167705696.db2.gz ILMWHBDSTHLGRK-SNVBAGLBSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)[C@@H]1CC=CCC1 ZINC001593095612 1167705705 /nfs/dbraw/zinc/70/57/05/1167705705.db2.gz ILMWHBDSTHLGRK-SNVBAGLBSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCOC[C@@H]1CCOC1)c1coc(-c2nnn[n-]2)c1 ZINC001593097225 1167705722 /nfs/dbraw/zinc/70/57/22/1167705722.db2.gz PNKPOGUVNSUBEK-SECBINFHSA-N -1 1 307.310 0.243 20 0 DCADMM O=C(NCCOC[C@@H]1CCOC1)c1coc(-c2nn[n-]n2)c1 ZINC001593097225 1167705730 /nfs/dbraw/zinc/70/57/30/1167705730.db2.gz PNKPOGUVNSUBEK-SECBINFHSA-N -1 1 307.310 0.243 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001593136798 1167719846 /nfs/dbraw/zinc/71/98/46/1167719846.db2.gz VCVAEQVZSOPZSH-ULHKAFAUSA-N -1 1 317.374 0.968 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C(F)(F)C1(O)CCCC1 ZINC001593196433 1167736143 /nfs/dbraw/zinc/73/61/43/1167736143.db2.gz PUVLMJOCXOAVLY-UHFFFAOYSA-N -1 1 313.268 0.469 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C(F)(F)C1(O)CCCC1 ZINC001593196433 1167736148 /nfs/dbraw/zinc/73/61/48/1167736148.db2.gz PUVLMJOCXOAVLY-UHFFFAOYSA-N -1 1 313.268 0.469 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccnc2ccnn21 ZINC001593203131 1167738600 /nfs/dbraw/zinc/73/86/00/1167738600.db2.gz GRKQJSXGPCMZNB-UHFFFAOYSA-N -1 1 322.288 0.867 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)NC1(CF)CCOCC1 ZINC001593244652 1167743211 /nfs/dbraw/zinc/74/32/11/1167743211.db2.gz WJROCBSOMXNDAQ-UHFFFAOYSA-N -1 1 321.316 0.902 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)NC1(CF)CCOCC1 ZINC001593244652 1167743214 /nfs/dbraw/zinc/74/32/14/1167743214.db2.gz WJROCBSOMXNDAQ-UHFFFAOYSA-N -1 1 321.316 0.902 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N[C@@H]1C=CCCC1 ZINC001593243928 1167744285 /nfs/dbraw/zinc/74/42/85/1167744285.db2.gz SCISAPCUTLFMPQ-SECBINFHSA-N -1 1 313.321 0.425 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N[C@@H]1C=CCCC1 ZINC001593243928 1167744291 /nfs/dbraw/zinc/74/42/91/1167744291.db2.gz SCISAPCUTLFMPQ-SECBINFHSA-N -1 1 313.321 0.425 20 0 DCADMM O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593240800 1167744808 /nfs/dbraw/zinc/74/48/08/1167744808.db2.gz QKQCIJCIGVFMMP-UHFFFAOYSA-N -1 1 324.300 0.998 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC001593280212 1167755122 /nfs/dbraw/zinc/75/51/22/1167755122.db2.gz FVENRQRXJAEBHE-VIFPVBQESA-N -1 1 317.305 0.414 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nn[n-]n2)n1)[C@H]1CCCOC1 ZINC001593280212 1167755133 /nfs/dbraw/zinc/75/51/33/1167755133.db2.gz FVENRQRXJAEBHE-VIFPVBQESA-N -1 1 317.305 0.414 20 0 DCADMM O=C(OCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)C1CC1 ZINC001593306164 1167765836 /nfs/dbraw/zinc/76/58/36/1167765836.db2.gz MWLGGLDDQJXBIH-UHFFFAOYSA-N -1 1 301.306 0.428 20 0 DCADMM O=C(O[C@H]1CCN(CC(F)F)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593308229 1167765951 /nfs/dbraw/zinc/76/59/51/1167765951.db2.gz SRYLEZVXBJCOAQ-ZETCQYMHSA-N -1 1 313.264 0.956 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@](O)(C2CC2)C1 ZINC001593336887 1167778742 /nfs/dbraw/zinc/77/87/42/1167778742.db2.gz IEFPROWPVQJULP-HNNXBMFYSA-N -1 1 314.349 0.639 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@](O)(C2CC2)C1 ZINC001593336887 1167778748 /nfs/dbraw/zinc/77/87/48/1167778748.db2.gz IEFPROWPVQJULP-HNNXBMFYSA-N -1 1 314.349 0.639 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001593337285 1167778789 /nfs/dbraw/zinc/77/87/89/1167778789.db2.gz UOAKCMYWCUJODN-WCQYABFASA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001593337285 1167778793 /nfs/dbraw/zinc/77/87/93/1167778793.db2.gz UOAKCMYWCUJODN-WCQYABFASA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001593358770 1167784007 /nfs/dbraw/zinc/78/40/07/1167784007.db2.gz OAJNTYBIQSAPJX-NWDGAFQWSA-N -1 1 314.349 0.760 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001593358770 1167784014 /nfs/dbraw/zinc/78/40/14/1167784014.db2.gz OAJNTYBIQSAPJX-NWDGAFQWSA-N -1 1 314.349 0.760 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC2(COC2)C1 ZINC001593350828 1167784955 /nfs/dbraw/zinc/78/49/55/1167784955.db2.gz XJECYKUNTIBZEI-UHFFFAOYSA-N -1 1 303.297 0.868 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC2(COC2)C1 ZINC001593350828 1167784963 /nfs/dbraw/zinc/78/49/63/1167784963.db2.gz XJECYKUNTIBZEI-UHFFFAOYSA-N -1 1 303.297 0.868 20 0 DCADMM O=C(O[C@H]1CC(=O)NC12CCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593385268 1167799627 /nfs/dbraw/zinc/79/96/27/1167799627.db2.gz YCXORXPQLIASGR-JTQLQIEISA-N -1 1 317.305 0.818 20 0 DCADMM O=C(N[C@H]1CCNC(=O)CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593390558 1167800740 /nfs/dbraw/zinc/80/07/40/1167800740.db2.gz LYUHBJQFGMXTCX-MRVPVSSYSA-N -1 1 306.351 0.327 20 0 DCADMM O=C1CCCN1CCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593392039 1167801477 /nfs/dbraw/zinc/80/14/77/1167801477.db2.gz DREDJAGAQHYUDM-UHFFFAOYSA-N -1 1 307.745 0.949 20 0 DCADMM O=C1CCCN1CCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593392039 1167801489 /nfs/dbraw/zinc/80/14/89/1167801489.db2.gz DREDJAGAQHYUDM-UHFFFAOYSA-N -1 1 307.745 0.949 20 0 DCADMM O=C1NCC2(CN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)O1 ZINC001593406781 1167813456 /nfs/dbraw/zinc/81/34/56/1167813456.db2.gz YOBLLNRSFILONI-UHFFFAOYSA-N -1 1 324.304 0.109 20 0 DCADMM O=C1NCC2(CN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)O1 ZINC001593406781 1167813465 /nfs/dbraw/zinc/81/34/65/1167813465.db2.gz YOBLLNRSFILONI-UHFFFAOYSA-N -1 1 324.304 0.109 20 0 DCADMM O=C1[C@@H]2C[C@H](F)CN2C(=O)N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593412868 1167821877 /nfs/dbraw/zinc/82/18/77/1167821877.db2.gz AGZYLEGZGZSMAV-FSPLSTOPSA-N -1 1 323.313 0.198 20 0 DCADMM O=C1[C@@H]2C[C@H](F)CN2C(=O)N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593412868 1167821895 /nfs/dbraw/zinc/82/18/95/1167821895.db2.gz AGZYLEGZGZSMAV-FSPLSTOPSA-N -1 1 323.313 0.198 20 0 DCADMM O=C1OCCN1C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001593414706 1167829596 /nfs/dbraw/zinc/82/95/96/1167829596.db2.gz LOGSCFHPKRWOPI-SNVBAGLBSA-N -1 1 315.337 0.540 20 0 DCADMM O=C1OCCN1C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001593414706 1167829605 /nfs/dbraw/zinc/82/96/05/1167829605.db2.gz LOGSCFHPKRWOPI-SNVBAGLBSA-N -1 1 315.337 0.540 20 0 DCADMM O=C1OCCN1Cc1cn(Cc2ccc(-c3nnn[n-]3)o2)nn1 ZINC001593421773 1167834521 /nfs/dbraw/zinc/83/45/21/1167834521.db2.gz CYQSPTDYVQTEHA-UHFFFAOYSA-N -1 1 316.281 0.052 20 0 DCADMM O=C1OCCN1Cc1cn(Cc2ccc(-c3nn[n-]n3)o2)nn1 ZINC001593421773 1167834535 /nfs/dbraw/zinc/83/45/35/1167834535.db2.gz CYQSPTDYVQTEHA-UHFFFAOYSA-N -1 1 316.281 0.052 20 0 DCADMM O=S(=O)(Cc1ccc(-c2nn[nH]n2)cc1)[N-]CC(F)F ZINC001593423871 1167834790 /nfs/dbraw/zinc/83/47/90/1167834790.db2.gz LWKFCLAHAIWKKF-UHFFFAOYSA-N -1 1 303.294 0.551 20 0 DCADMM O=S(=O)(N[C@@H]1CC=CCC1)c1cccnc1-c1nn[n-]n1 ZINC001593434382 1167837610 /nfs/dbraw/zinc/83/76/10/1167837610.db2.gz PKQJEDXOUJNFCH-SECBINFHSA-N -1 1 306.351 0.649 20 0 DCADMM O=S(=O)(NCc1ccon1)c1ccc(-c2nnn[n-]2)s1 ZINC001593442581 1167839988 /nfs/dbraw/zinc/83/99/88/1167839988.db2.gz DDNOMQUOMNQFPQ-UHFFFAOYSA-N -1 1 312.336 0.395 20 0 DCADMM O=S(=O)(NCc1ccon1)c1ccc(-c2nn[n-]n2)s1 ZINC001593442581 1167839999 /nfs/dbraw/zinc/83/99/99/1167839999.db2.gz DDNOMQUOMNQFPQ-UHFFFAOYSA-N -1 1 312.336 0.395 20 0 DCADMM O=S(=O)(NCCOCCF)c1ccsc1-c1nn[n-]n1 ZINC001593440019 1167840896 /nfs/dbraw/zinc/84/08/96/1167840896.db2.gz XWOPKQNGWKVNMD-UHFFFAOYSA-N -1 1 321.359 0.193 20 0 DCADMM O=S1(=O)CCC[C@H](Cn2ccn3ncc(-c4nn[n-]n4)c23)C1 ZINC001593463009 1167851969 /nfs/dbraw/zinc/85/19/69/1167851969.db2.gz IQCICSWINPDCFT-SECBINFHSA-N -1 1 321.366 0.141 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CN1CC[C@H](CF)C1)CCC2 ZINC001593492417 1167876330 /nfs/dbraw/zinc/87/63/30/1167876330.db2.gz OPSQPSLDYVZPHF-SNVBAGLBSA-N -1 1 318.356 0.766 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCO[C@H](C2CC2)C1 ZINC001593492977 1167877077 /nfs/dbraw/zinc/87/70/77/1167877077.db2.gz RZTUDBZUDNOCSF-LBPRGKRZSA-N -1 1 302.338 0.097 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1nnc(C2CC2)s1 ZINC001593494688 1167877475 /nfs/dbraw/zinc/87/74/75/1167877475.db2.gz UEEBQIDTKJSNSM-UHFFFAOYSA-N -1 1 301.335 0.806 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1nnnn1-c1ccccc1 ZINC001593496838 1167879777 /nfs/dbraw/zinc/87/97/77/1167879777.db2.gz ZHNQBUFOMKWIBB-UHFFFAOYSA-N -1 1 321.304 0.052 20 0 DCADMM O[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001593506879 1167885581 /nfs/dbraw/zinc/88/55/81/1167885581.db2.gz NXCWCGRQUIKGOD-BDAKNGLRSA-N -1 1 310.745 0.867 20 0 DCADMM O[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001593506879 1167885589 /nfs/dbraw/zinc/88/55/89/1167885589.db2.gz NXCWCGRQUIKGOD-BDAKNGLRSA-N -1 1 310.745 0.867 20 0 DCADMM OC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cccc(F)c1 ZINC001593521302 1167895176 /nfs/dbraw/zinc/89/51/76/1167895176.db2.gz RSFPCOVJKFXEAA-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM OC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cccc(F)c1 ZINC001593521302 1167895183 /nfs/dbraw/zinc/89/51/83/1167895183.db2.gz RSFPCOVJKFXEAA-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM OC[C@H]([C@H](Nc1ncncc1-c1nn[n-]n1)C1CC1)C1CC1 ZINC001593522418 1167898130 /nfs/dbraw/zinc/89/81/30/1167898130.db2.gz RFNPWOWZCOERSS-NWDGAFQWSA-N -1 1 301.354 0.866 20 0 DCADMM OC[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H]1O ZINC001593528267 1167904591 /nfs/dbraw/zinc/90/45/91/1167904591.db2.gz LGICGQMTTZBCOJ-IONNQARKSA-N -1 1 310.745 0.095 20 0 DCADMM OC[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H]1O ZINC001593528267 1167904597 /nfs/dbraw/zinc/90/45/97/1167904597.db2.gz LGICGQMTTZBCOJ-IONNQARKSA-N -1 1 310.745 0.095 20 0 DCADMM OCCOC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001593532548 1167914221 /nfs/dbraw/zinc/91/42/21/1167914221.db2.gz DTOVHOIXJRZPGX-UHFFFAOYSA-N -1 1 319.369 0.780 20 0 DCADMM OCCOC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001593532548 1167914223 /nfs/dbraw/zinc/91/42/23/1167914223.db2.gz DTOVHOIXJRZPGX-UHFFFAOYSA-N -1 1 319.369 0.780 20 0 DCADMM Oc1ccc2c(c1)CN(c1ncncc1-c1nn[n-]n1)CCO2 ZINC001593539824 1167920641 /nfs/dbraw/zinc/92/06/41/1167920641.db2.gz HNADTZIIULSEDV-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM Oc1ccccc1N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001593542108 1167922294 /nfs/dbraw/zinc/92/22/94/1167922294.db2.gz XYHXSJNFJBBIEE-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Oc1ccccc1N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001593542108 1167922301 /nfs/dbraw/zinc/92/23/01/1167922301.db2.gz XYHXSJNFJBBIEE-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM c1cc(N[C@@H]2CCO[C@]3(CCSC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593558709 1167935381 /nfs/dbraw/zinc/93/53/81/1167935381.db2.gz PJCAUHUSAZBWRW-NOZJJQNGSA-N -1 1 319.394 0.545 20 0 DCADMM c1nncn1CC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001593557656 1167936955 /nfs/dbraw/zinc/93/69/55/1167936955.db2.gz QJLMLUMWXSPYCZ-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM c1ncn(-c2cccc(CNc3ccnc(-c4nnn[n-]4)c3)c2)n1 ZINC001593557504 1167937530 /nfs/dbraw/zinc/93/75/30/1167937530.db2.gz VAWOJFLZJHQMDP-UHFFFAOYSA-N -1 1 319.332 0.876 20 0 DCADMM c1ncn(-c2cccc(CNc3ccnc(-c4nn[n-]n4)c3)c2)n1 ZINC001593557504 1167937533 /nfs/dbraw/zinc/93/75/33/1167937533.db2.gz VAWOJFLZJHQMDP-UHFFFAOYSA-N -1 1 319.332 0.876 20 0 DCADMM c1ccc2c(c1)CC[C@H](Nc1ccnc(-c3nn[n-]n3)n1)CO2 ZINC001593581447 1167950293 /nfs/dbraw/zinc/95/02/93/1167950293.db2.gz PVTPUIKWENIASF-NSHDSACASA-N -1 1 309.333 0.884 20 0 DCADMM c1nncn1CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001593580795 1167950732 /nfs/dbraw/zinc/95/07/32/1167950732.db2.gz ZFYMMIGGRKZHCD-UHFFFAOYSA-N -1 1 308.309 0.514 20 0 DCADMM c1nncn1CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001593580795 1167950734 /nfs/dbraw/zinc/95/07/34/1167950734.db2.gz ZFYMMIGGRKZHCD-UHFFFAOYSA-N -1 1 308.309 0.514 20 0 DCADMM c1nc(Sc2nnnn2C2CCCC2)cc(-c2nnn[n-]2)n1 ZINC001593592484 1167955197 /nfs/dbraw/zinc/95/51/97/1167955197.db2.gz YYYYZPJTFFSEKL-UHFFFAOYSA-N -1 1 316.354 0.910 20 0 DCADMM c1nc(Sc2nnnn2C2CCCC2)cc(-c2nn[n-]n2)n1 ZINC001593592484 1167955201 /nfs/dbraw/zinc/95/52/01/1167955201.db2.gz YYYYZPJTFFSEKL-UHFFFAOYSA-N -1 1 316.354 0.910 20 0 DCADMM c1sc(CNc2ncc3c(n2)COC3)nc1-c1nnn[n-]1 ZINC001593595575 1167959939 /nfs/dbraw/zinc/95/99/39/1167959939.db2.gz WOMVVUXLWNQXOZ-UHFFFAOYSA-N -1 1 302.323 0.756 20 0 DCADMM c1sc(CNc2ncc3c(n2)COC3)nc1-c1nn[n-]n1 ZINC001593595575 1167959942 /nfs/dbraw/zinc/95/99/42/1167959942.db2.gz WOMVVUXLWNQXOZ-UHFFFAOYSA-N -1 1 302.323 0.756 20 0 DCADMM COC[C@H](NC(=O)c1nc(C)n2ccccc12)c1nn[n-]n1 ZINC001595888921 1167980659 /nfs/dbraw/zinc/98/06/59/1167980659.db2.gz JVYKEVAFJVTSEW-VIFPVBQESA-N -1 1 301.310 0.273 20 0 DCADMM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(O)c(Cl)c1 ZINC001598861769 1168053203 /nfs/dbraw/zinc/05/32/03/1168053203.db2.gz MZZPOEWKXQQKDW-UHFFFAOYSA-N -1 1 301.682 0.745 20 0 DCADMM COC(=O)C[C@H](N)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001598870221 1168056694 /nfs/dbraw/zinc/05/66/94/1168056694.db2.gz OESUTMSMEYCNPB-ZJUUUORDSA-N -1 1 300.355 0.226 20 0 DCADMM Cc1cc(=O)[nH]cc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001600065027 1168109128 /nfs/dbraw/zinc/10/91/28/1168109128.db2.gz NORPVSIHMWDDAF-NSHDSACASA-N -1 1 307.350 0.717 20 0 DCADMM Cc1cc(C)n(CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)n1 ZINC001600178309 1168130802 /nfs/dbraw/zinc/13/08/02/1168130802.db2.gz REZNJUASUWVUPZ-CYBMUJFWSA-N -1 1 308.382 0.507 20 0 DCADMM Cc1cc(C[C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)n[nH]1 ZINC001600189109 1168133387 /nfs/dbraw/zinc/13/33/87/1168133387.db2.gz KJAGNPCHWVRZPD-ZETCQYMHSA-N -1 1 313.339 0.049 20 0 DCADMM Cc1ccccc1CN(C)C(=O)CN1CC[C@@](O)(C(=O)[O-])C1 ZINC001600580965 1168201792 /nfs/dbraw/zinc/20/17/92/1168201792.db2.gz QJMDAQRDHDFHDZ-INIZCTEOSA-N -1 1 306.362 0.475 20 0 DCADMM Cc1cn2cc(CC(=O)N3CCN(CC(=O)[O-])CC3)nc2s1 ZINC001600613791 1168213785 /nfs/dbraw/zinc/21/37/85/1168213785.db2.gz VZFLSOYBCNCPFK-UHFFFAOYSA-N -1 1 322.390 0.476 20 0 DCADMM Cc1cnccc1CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001600629742 1168220522 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319.361 0.738 20 0 DCADMM Cc1oc(CNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)cc1C(=O)[O-] ZINC001600847409 1168485005 /nfs/dbraw/zinc/48/50/05/1168485005.db2.gz YUXXPJJJTHPTOY-ZANVPECISA-N -1 1 307.350 0.291 20 0 DCADMM Cn1cc(C(=O)C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cn1 ZINC001600927811 1168511431 /nfs/dbraw/zinc/51/14/31/1168511431.db2.gz GCXPBNKPFBSXME-UHFFFAOYSA-N -1 1 313.273 0.816 20 0 DCADMM Cn1cc(CN[C@@]2(CC(=O)[O-])CCOC2)c(Br)n1 ZINC001600951947 1168528383 /nfs/dbraw/zinc/52/83/83/1168528383.db2.gz BLSURMQYIRQARD-LLVKDONJSA-N -1 1 318.171 0.906 20 0 DCADMM Cn1nncc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001601044670 1168576932 /nfs/dbraw/zinc/57/69/32/1168576932.db2.gz KBECONCRQVQFCC-UHFFFAOYSA-N -1 1 316.726 0.968 20 0 DCADMM NC(=S)c1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC001601173472 1168621463 /nfs/dbraw/zinc/62/14/63/1168621463.db2.gz MOBOIHLSGULDLV-LLVKDONJSA-N -1 1 318.358 0.470 20 0 DCADMM N[C@@H](Cc1cc2ccccc2o1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001601176816 1168625444 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0.563 20 0 DCADMM C[C@H]1COCC[C@@H]1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001603946019 1169446580 /nfs/dbraw/zinc/44/65/80/1169446580.db2.gz FYTQNEXOYFDBFZ-DTWKUNHWSA-N -1 1 320.357 0.394 20 0 DCADMM C[C@H]1COCC[C@@H]1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001603946019 1169446583 /nfs/dbraw/zinc/44/65/83/1169446583.db2.gz FYTQNEXOYFDBFZ-DTWKUNHWSA-N -1 1 320.357 0.394 20 0 DCADMM C/C=C(/C)C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603958751 1169453798 /nfs/dbraw/zinc/45/37/98/1169453798.db2.gz ONGSUBNDDBMXOP-HYHWUIIZSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(/C)C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603958751 1169453801 /nfs/dbraw/zinc/45/38/01/1169453801.db2.gz ONGSUBNDDBMXOP-HYHWUIIZSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001603958991 1169453939 /nfs/dbraw/zinc/45/39/39/1169453939.db2.gz UJINVDCTGWABCK-BJMVGYQFSA-N -1 1 316.369 0.518 20 0 DCADMM CCC(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001603966948 1169455220 /nfs/dbraw/zinc/45/52/20/1169455220.db2.gz DUCXJPNBUIDWFO-DTWKUNHWSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001603966948 1169455224 /nfs/dbraw/zinc/45/52/24/1169455224.db2.gz DUCXJPNBUIDWFO-DTWKUNHWSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001603970266 1169457916 /nfs/dbraw/zinc/45/79/16/1169457916.db2.gz SEMIPKWIPMGMLS-JTQLQIEISA-N -1 1 318.385 0.431 20 0 DCADMM CCC(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001603968869 1169458305 /nfs/dbraw/zinc/45/83/05/1169458305.db2.gz GGFZPEGYDCKKGO-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001603968869 1169458324 /nfs/dbraw/zinc/45/83/24/1169458324.db2.gz GGFZPEGYDCKKGO-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CC[C@@](C)(COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)OC ZINC001603987394 1169465391 /nfs/dbraw/zinc/46/53/91/1169465391.db2.gz RMEMABGYOLFEFV-UFBFGSQYSA-N -1 1 309.330 0.378 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001603992317 1169466003 /nfs/dbraw/zinc/46/60/03/1169466003.db2.gz LSKBMSQMOKAOCT-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001603992317 1169466005 /nfs/dbraw/zinc/46/60/05/1169466005.db2.gz LSKBMSQMOKAOCT-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001603995474 1169467888 /nfs/dbraw/zinc/46/78/88/1169467888.db2.gz NNRMINVAVGNOFG-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001603995474 1169467889 /nfs/dbraw/zinc/46/78/89/1169467889.db2.gz NNRMINVAVGNOFG-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)OC ZINC001603998193 1169467915 /nfs/dbraw/zinc/46/79/15/1169467915.db2.gz COVGBKSAIRMNSM-OIBJUYFYSA-N -1 1 307.310 0.777 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)OC ZINC001603998193 1169467922 /nfs/dbraw/zinc/46/79/22/1169467922.db2.gz COVGBKSAIRMNSM-OIBJUYFYSA-N -1 1 307.310 0.777 20 0 DCADMM CC[C@H](CC(C)C)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001604016785 1169472573 /nfs/dbraw/zinc/47/25/73/1169472573.db2.gz XMGMAWUEBMAPSX-SNVBAGLBSA-N -1 1 306.374 0.647 20 0 DCADMM CC[C@H](COC)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001604039447 1169476436 /nfs/dbraw/zinc/47/64/36/1169476436.db2.gz KYGJIEVEIFMKDN-MRVPVSSYSA-N -1 1 306.326 0.431 20 0 DCADMM CC[C@H](CSC)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001604038873 1169476504 /nfs/dbraw/zinc/47/65/04/1169476504.db2.gz BGLRIRXZFMXTFA-ZCFIWIBFSA-N -1 1 311.371 0.220 20 0 DCADMM CCC(F)(F)Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC001604044171 1169479310 /nfs/dbraw/zinc/47/93/10/1169479310.db2.gz SIMLHQDNFBSVBY-UHFFFAOYSA-N -1 1 313.264 0.860 20 0 DCADMM CC[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@H](O)C(C)C ZINC001604049761 1169480590 /nfs/dbraw/zinc/48/05/90/1169480590.db2.gz FSNSEUWUNIBYGV-CMPLNLGQSA-N -1 1 304.354 0.787 20 0 DCADMM CC[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@H](O)C(C)C ZINC001604049761 1169480592 /nfs/dbraw/zinc/48/05/92/1169480592.db2.gz FSNSEUWUNIBYGV-CMPLNLGQSA-N -1 1 304.354 0.787 20 0 DCADMM CC[C@@H](NC(C)=O)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001604056363 1169483203 /nfs/dbraw/zinc/48/32/03/1169483203.db2.gz VCKWLEDGBUZCPT-SSDOTTSWSA-N -1 1 309.355 0.485 20 0 DCADMM CC[C@@H](NC(C)=O)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604056363 1169483205 /nfs/dbraw/zinc/48/32/05/1169483205.db2.gz VCKWLEDGBUZCPT-SSDOTTSWSA-N -1 1 309.355 0.485 20 0 DCADMM CC[C@@H]1CCN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604108745 1169493137 /nfs/dbraw/zinc/49/31/37/1169493137.db2.gz PQSOAYTWFYUWGF-MRVPVSSYSA-N -1 1 301.310 0.211 20 0 DCADMM CC[C@@H]1CCN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604108745 1169493142 /nfs/dbraw/zinc/49/31/42/1169493142.db2.gz PQSOAYTWFYUWGF-MRVPVSSYSA-N -1 1 301.310 0.211 20 0 DCADMM C[C@@H](CN1CCOCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001604167734 1169510299 /nfs/dbraw/zinc/51/02/99/1169510299.db2.gz QYGDSIAQMXKMFD-JSGCOSHPSA-N -1 1 321.377 0.162 20 0 DCADMM C[C@H](CN1CCOCC1)C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001604167063 1169510380 /nfs/dbraw/zinc/51/03/80/1169510380.db2.gz LEBJBQYXIHZOSD-AGIUHOORSA-N -1 1 314.382 0.093 20 0 DCADMM C[C@@H](CN1CCOCC1)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001604166448 1169511353 /nfs/dbraw/zinc/51/13/53/1169511353.db2.gz BWPKALZWDFOYSN-CMPLNLGQSA-N -1 1 312.391 0.958 20 0 DCADMM CCCCOCC(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001604188375 1169519261 /nfs/dbraw/zinc/51/92/61/1169519261.db2.gz OPXVUJZPFWSMMC-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM CCCCOCC(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001604188375 1169519266 /nfs/dbraw/zinc/51/92/66/1169519266.db2.gz OPXVUJZPFWSMMC-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM CCCN(CCO)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604211643 1169526003 /nfs/dbraw/zinc/52/60/03/1169526003.db2.gz OWQNREQTJHGBSC-UHFFFAOYSA-N -1 1 311.371 0.237 20 0 DCADMM C[C@](Cc1ccc(F)cc1)(NC(=O)Cc1nnc[nH]1)C(=O)[O-] ZINC001604218181 1169526351 /nfs/dbraw/zinc/52/63/51/1169526351.db2.gz AZBGKSSPTGBWAU-CQSZACIVSA-N -1 1 306.297 0.689 20 0 DCADMM C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CC[C@](O)(C(=O)[O-])C1 ZINC001604264624 1169536375 /nfs/dbraw/zinc/53/63/75/1169536375.db2.gz FSQDHAQSVGJJLW-LYOVBCGYSA-N -1 1 324.352 0.913 20 0 DCADMM C[C@@](O)(C[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(=O)[O-] ZINC001604369321 1169570521 /nfs/dbraw/zinc/57/05/21/1169570521.db2.gz KKNOOYACIOZUIC-LDYMZIIASA-N -1 1 312.288 0.213 20 0 DCADMM C[C@@](O)(C[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(=O)[O-] ZINC001604369321 1169570525 /nfs/dbraw/zinc/57/05/25/1169570525.db2.gz KKNOOYACIOZUIC-LDYMZIIASA-N -1 1 312.288 0.213 20 0 DCADMM CCOC(=O)N1CCN(c2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001604379082 1169576720 /nfs/dbraw/zinc/57/67/20/1169576720.db2.gz OFLMPRVRSWXVMI-UHFFFAOYSA-N -1 1 317.353 0.849 20 0 DCADMM CCOC(=O)N1CCN(c2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001604379082 1169576723 /nfs/dbraw/zinc/57/67/23/1169576723.db2.gz OFLMPRVRSWXVMI-UHFFFAOYSA-N -1 1 317.353 0.849 20 0 DCADMM CCOC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001604378220 1169576807 /nfs/dbraw/zinc/57/68/07/1169576807.db2.gz GUTUYUHXDWENNI-UHFFFAOYSA-N -1 1 318.341 0.690 20 0 DCADMM CCOC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001604378220 1169576813 /nfs/dbraw/zinc/57/68/13/1169576813.db2.gz GUTUYUHXDWENNI-UHFFFAOYSA-N -1 1 318.341 0.690 20 0 DCADMM CCO[C@H]1C[C@](O)(CNc2ccnc(-c3nnn[n-]3)c2)C1(C)C ZINC001604416891 1169588019 /nfs/dbraw/zinc/58/80/19/1169588019.db2.gz KUYIMYTUCWJGNM-WFASDCNBSA-N -1 1 318.381 0.662 20 0 DCADMM CCO[C@H]1C[C@](O)(CNc2ccnc(-c3nn[n-]n3)c2)C1(C)C ZINC001604416891 1169588023 /nfs/dbraw/zinc/58/80/23/1169588023.db2.gz KUYIMYTUCWJGNM-WFASDCNBSA-N -1 1 318.381 0.662 20 0 DCADMM CCOCCO[C@H](C)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001604432017 1169592009 /nfs/dbraw/zinc/59/20/09/1169592009.db2.gz CGSIGDNBCWFSSJ-SNVBAGLBSA-N -1 1 321.337 0.747 20 0 DCADMM CCOCCO[C@H](C)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001604432017 1169592016 /nfs/dbraw/zinc/59/20/16/1169592016.db2.gz CGSIGDNBCWFSSJ-SNVBAGLBSA-N -1 1 321.337 0.747 20 0 DCADMM CCOCCCC(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001604427603 1169592807 /nfs/dbraw/zinc/59/28/07/1169592807.db2.gz GAIYUYWBQXPGHG-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM CCOCCCC(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001604427603 1169592810 /nfs/dbraw/zinc/59/28/10/1169592810.db2.gz GAIYUYWBQXPGHG-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM C[C@@]1(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CNCCO1 ZINC001604486414 1169601275 /nfs/dbraw/zinc/60/12/75/1169601275.db2.gz VUUNVIWKSMIEJT-INIZCTEOSA-N -1 1 304.346 0.648 20 0 DCADMM CCc1ccc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)nc1 ZINC001604524557 1169609650 /nfs/dbraw/zinc/60/96/50/1169609650.db2.gz RSWAJTLTZLZXQH-MRVPVSSYSA-N -1 1 313.325 0.615 20 0 DCADMM CC(C)(CS(=O)(=O)NCCN1CCC(C)(C)C1)C(=O)[O-] ZINC001604535425 1169610315 /nfs/dbraw/zinc/61/03/15/1169610315.db2.gz RZCIPZUDLZLOEJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/63/21/05/1169632105.db2.gz WQEHAOCECNZUSK-UHFFFAOYSA-N -1 1 301.314 0.675 20 0 DCADMM C[C@@H]1[C@H](C)N(C)CCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001604639854 1169640742 /nfs/dbraw/zinc/64/07/42/1169640742.db2.gz SKSQJXPERSFMJX-WDEREUQCSA-N -1 1 306.366 0.743 20 0 DCADMM C[C@H]1CC/C(=C\C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C1 ZINC001604690538 1169657206 /nfs/dbraw/zinc/65/72/06/1169657206.db2.gz CGALQWZCJKNECS-YEQVNJDRSA-N -1 1 323.437 0.893 20 0 DCADMM CN(CC1(O)CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001604722213 1169663018 /nfs/dbraw/zinc/66/30/18/1169663018.db2.gz GJTOMTDDVBTOED-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM CN(CC1(O)CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001604722213 1169663021 /nfs/dbraw/zinc/66/30/21/1169663021.db2.gz GJTOMTDDVBTOED-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM CN(CCCNC(=O)C1(C)CC1)c1nccnc1-c1nnn[n-]1 ZINC001604745824 1169668501 /nfs/dbraw/zinc/66/85/01/1169668501.db2.gz NVHAWHLTEKFREV-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM 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Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@]3(CCOC3)C2)c1 ZINC001605562220 1169960734 /nfs/dbraw/zinc/96/07/34/1169960734.db2.gz GBYOSTZWDVUQKM-CQSZACIVSA-N -1 1 302.338 0.566 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@]3(CCOC3)C2)c1 ZINC001605562220 1169960736 /nfs/dbraw/zinc/96/07/36/1169960736.db2.gz GBYOSTZWDVUQKM-CQSZACIVSA-N -1 1 302.338 0.566 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC[C@H](C)S(=O)(=O)C2)n1 ZINC001605573269 1169963306 /nfs/dbraw/zinc/96/33/06/1169963306.db2.gz WTRCFGIHPYVAGQ-IUCAKERBSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC[C@H](C)S(=O)(=O)C2)n1 ZINC001605573269 1169963311 /nfs/dbraw/zinc/96/33/11/1169963311.db2.gz WTRCFGIHPYVAGQ-IUCAKERBSA-N -1 1 323.382 0.343 20 0 DCADMM CCOC(C)(C)CNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001605589917 1169967595 /nfs/dbraw/zinc/96/75/95/1169967595.db2.gz YKESCLJNDDRMMI-LBPRGKRZSA-N -1 1 315.414 0.992 20 0 DCADMM Cc1cc(CC(=O)NCc2nc(-c3nnn[n-]3)cs2)no1 ZINC001605654183 1169982749 /nfs/dbraw/zinc/98/27/49/1169982749.db2.gz BLTMIJNMVILDRH-UHFFFAOYSA-N -1 1 305.323 0.479 20 0 DCADMM Cc1cc(CC(=O)NCc2nc(-c3nn[n-]n3)cs2)no1 ZINC001605654183 1169982752 /nfs/dbraw/zinc/98/27/52/1169982752.db2.gz BLTMIJNMVILDRH-UHFFFAOYSA-N -1 1 305.323 0.479 20 0 DCADMM CCOc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)nc1 ZINC001605690376 1169985699 /nfs/dbraw/zinc/98/56/99/1169985699.db2.gz KHZBWHBMVWOPJU-CHWSQXEVSA-N -1 1 308.334 0.786 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(NC(N)=O)CC1 ZINC001605802985 1170004865 /nfs/dbraw/zinc/00/48/65/1170004865.db2.gz SHODSINGCORXJM-UHFFFAOYSA-N -1 1 302.342 0.207 20 0 DCADMM CCc1nc(C)ncc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001605848856 1170012123 /nfs/dbraw/zinc/01/21/23/1170012123.db2.gz RMVONSOOJFDZPY-GFCCVEGCSA-N -1 1 303.322 0.496 20 0 DCADMM Cc1ccc(N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)nc1-c1nnn[n-]1 ZINC001605868073 1170017938 /nfs/dbraw/zinc/01/79/38/1170017938.db2.gz CGPCFDOOYWYERP-AOOOYVTPSA-N -1 1 320.378 0.051 20 0 DCADMM Cc1ccc(N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001605868073 1170017945 /nfs/dbraw/zinc/01/79/45/1170017945.db2.gz CGPCFDOOYWYERP-AOOOYVTPSA-N -1 1 320.378 0.051 20 0 DCADMM Cc1ccn([C@@H](C)CC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)n1 ZINC001605947658 1170031505 /nfs/dbraw/zinc/03/15/05/1170031505.db2.gz BZVORQXCBWEYHP-QMMMGPOBSA-N -1 1 315.341 0.993 20 0 DCADMM CN(C)C1(CNS(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC001606012809 1170049463 /nfs/dbraw/zinc/04/94/63/1170049463.db2.gz OXTZXLMJAIYWSV-UHFFFAOYSA-N -1 1 316.354 0.896 20 0 DCADMM Cc1nc([C@@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)no1 ZINC001606036018 1170062536 /nfs/dbraw/zinc/06/25/36/1170062536.db2.gz YVDIHLARXXGZBE-RXMQYKEDSA-N -1 1 318.297 0.274 20 0 DCADMM Cc1nc([C@@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)no1 ZINC001606036018 1170062542 /nfs/dbraw/zinc/06/25/42/1170062542.db2.gz YVDIHLARXXGZBE-RXMQYKEDSA-N -1 1 318.297 0.274 20 0 DCADMM CN(CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)[C@@H]1CCC[C@H]1O ZINC001606080212 1170072354 /nfs/dbraw/zinc/07/23/54/1170072354.db2.gz SYTXRWXDCDHQRX-UMVBOHGHSA-N -1 1 312.410 0.981 20 0 DCADMM Cc1nn(CC2CCC(=O)CC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114149 1170079799 /nfs/dbraw/zinc/07/97/99/1170079799.db2.gz FJMRAQXCIFVXRA-UHFFFAOYSA-N -1 1 302.338 0.800 20 0 DCADMM Cc1nn(C[C@@H](F)C(F)(F)F)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114431 1170079864 /nfs/dbraw/zinc/07/98/64/1170079864.db2.gz OAYWZQAICSRUIZ-ZCFIWIBFSA-N -1 1 306.223 0.941 20 0 DCADMM Cc1nnc([C@@H](C)OC(=O)c2cccc(-c3nnn[n-]3)n2)o1 ZINC001606119939 1170083071 /nfs/dbraw/zinc/08/30/71/1170083071.db2.gz SXBDPANFQRIPOF-ZCFIWIBFSA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nnc([C@@H](C)OC(=O)c2cccc(-c3nn[n-]n3)n2)o1 ZINC001606119939 1170083076 /nfs/dbraw/zinc/08/30/76/1170083076.db2.gz SXBDPANFQRIPOF-ZCFIWIBFSA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nnsc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606126676 1170087548 /nfs/dbraw/zinc/08/75/48/1170087548.db2.gz DTFQBLDZPKAHCI-UHFFFAOYSA-N -1 1 308.352 0.413 20 0 DCADMM Cc1nnsc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606126676 1170087555 /nfs/dbraw/zinc/08/75/55/1170087555.db2.gz DTFQBLDZPKAHCI-UHFFFAOYSA-N -1 1 308.352 0.413 20 0 DCADMM Cc1nsc(NCc2nnc3n2CCC3)c1-c1nn[n-]n1 ZINC001606162996 1170098072 /nfs/dbraw/zinc/09/80/72/1170098072.db2.gz YWLSGMXWOXZELT-UHFFFAOYSA-N -1 1 303.355 0.781 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCn2cnnc2[C@@H]1C ZINC001606167093 1170099391 /nfs/dbraw/zinc/09/93/91/1170099391.db2.gz ZAVSMPKMGQKFCL-ZETCQYMHSA-N -1 1 314.309 0.577 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCn2cnnc2[C@@H]1C ZINC001606167093 1170099397 /nfs/dbraw/zinc/09/93/97/1170099397.db2.gz ZAVSMPKMGQKFCL-ZETCQYMHSA-N -1 1 314.309 0.577 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)[C@H](O)C(F)(F)F ZINC001606167273 1170099434 /nfs/dbraw/zinc/09/94/34/1170099434.db2.gz KKNSHKJICVNMAR-NVNXEXLPSA-N -1 1 319.243 0.810 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)[C@H](O)C(F)(F)F ZINC001606167273 1170099439 /nfs/dbraw/zinc/09/94/39/1170099439.db2.gz KKNSHKJICVNMAR-NVNXEXLPSA-N -1 1 319.243 0.810 20 0 DCADMM Cn1cc(C(=O)O[C@H]2C[C@H](C(=O)[O-])[N@@H+](C)C2)c(C(F)(F)F)n1 ZINC001606210994 1170115358 /nfs/dbraw/zinc/11/53/58/1170115358.db2.gz ZQZZNHWVDRTVRO-POYBYMJQSA-N -1 1 321.255 0.753 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2COC(C)(C)C2)n1 ZINC001606223428 1170121164 /nfs/dbraw/zinc/12/11/64/1170121164.db2.gz QTPUQDGKJBRSAN-ZETCQYMHSA-N -1 1 306.330 0.289 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2COC(C)(C)C2)n1 ZINC001606223428 1170121165 /nfs/dbraw/zinc/12/11/65/1170121165.db2.gz QTPUQDGKJBRSAN-ZETCQYMHSA-N -1 1 306.330 0.289 20 0 DCADMM CN1CCCC[C@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606225069 1170122702 /nfs/dbraw/zinc/12/27/02/1170122702.db2.gz WOSCTFIBLQNRJR-AAEUAGOBSA-N -1 1 321.381 0.624 20 0 DCADMM CN1CCN(C(=O)c2ncc3n2CCCC3)C[C@H](C(=O)[O-])C1 ZINC001606238441 1170130837 /nfs/dbraw/zinc/13/08/37/1170130837.db2.gz ZVXRGLNKPYMWSJ-LLVKDONJSA-N -1 1 306.366 0.308 20 0 DCADMM CN1CCN(C(=O)c2ocnc2C(F)F)C[C@@H](C(=O)[O-])C1 ZINC001606237842 1170130973 /nfs/dbraw/zinc/13/09/73/1170130973.db2.gz IRZIVHAQOSNYEK-ZETCQYMHSA-N -1 1 303.265 0.701 20 0 DCADMM CN1CCN(C[C@@H](O)COc2cccc(CC(=O)[O-])c2)CC1 ZINC001606239218 1170132135 /nfs/dbraw/zinc/13/21/35/1170132135.db2.gz LBDWDQXDSMYHSG-CQSZACIVSA-N -1 1 308.378 0.301 20 0 DCADMM CNC(=O)[C@H]1CCN(Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC001606265798 1170140379 /nfs/dbraw/zinc/14/03/79/1170140379.db2.gz BMUCECZTUITHIF-JTQLQIEISA-N -1 1 302.334 0.760 20 0 DCADMM FC(F)c1ccnc(CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001606299882 1170154101 /nfs/dbraw/zinc/15/41/01/1170154101.db2.gz JPDBAZWGPUSKKX-UHFFFAOYSA-N -1 1 305.252 0.996 20 0 DCADMM FC(F)c1ccnc(CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001606299882 1170154105 /nfs/dbraw/zinc/15/41/05/1170154105.db2.gz JPDBAZWGPUSKKX-UHFFFAOYSA-N -1 1 305.252 0.996 20 0 DCADMM COC(=O)[C@@H]1CCN(Cc2n[nH]c(C(C)(C)C)n2)[C@@H](C(=O)[O-])C1 ZINC001606414029 1170191553 /nfs/dbraw/zinc/19/15/53/1170191553.db2.gz LIOCGNDYZJQGJT-NXEZZACHSA-N -1 1 324.381 0.940 20 0 DCADMM COC(=O)[C@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1C(=O)[O-] ZINC001606417799 1170192897 /nfs/dbraw/zinc/19/28/97/1170192897.db2.gz SOJTXJFBKHKFHJ-BDAKNGLRSA-N -1 1 309.322 0.020 20 0 DCADMM NC(=O)[C@@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001606426450 1170196017 /nfs/dbraw/zinc/19/60/17/1170196017.db2.gz AYUMYJXUMMSQKG-LBPRGKRZSA-N -1 1 322.332 0.073 20 0 DCADMM NC(=O)[C@@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001606426450 1170196019 /nfs/dbraw/zinc/19/60/19/1170196019.db2.gz AYUMYJXUMMSQKG-LBPRGKRZSA-N -1 1 322.332 0.073 20 0 DCADMM COC(=O)CCCNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001606453209 1170208994 /nfs/dbraw/zinc/20/89/94/1170208994.db2.gz RNQVUFYQZBVQQN-LLVKDONJSA-N -1 1 315.370 0.130 20 0 DCADMM COC(=O)c1cc(CN2CC[C@@H](CO)[C@@H](O)C2)cc(C(=O)[O-])c1 ZINC001606542328 1170232263 /nfs/dbraw/zinc/23/22/63/1170232263.db2.gz WWNQIAFITABMIT-FZMZJTMJSA-N -1 1 323.345 0.347 20 0 DCADMM COC(=O)c1ccc(NC(=O)CN[C@H](C(=O)[O-])C2CC2)cc1 ZINC001606593855 1170239134 /nfs/dbraw/zinc/23/91/34/1170239134.db2.gz NVLNDUMCJCEZHG-ZDUSSCGKSA-N -1 1 306.318 0.865 20 0 DCADMM O=C(Cc1ccc2c(c1)COC2)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606599704 1170240434 /nfs/dbraw/zinc/24/04/34/1170240434.db2.gz FMAYOZYGYVQMPL-UHFFFAOYSA-N -1 1 311.305 0.801 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC1(CCO)CCCC1 ZINC001606594920 1170241092 /nfs/dbraw/zinc/24/10/92/1170241092.db2.gz PHEOMKGTMLKIFI-UHFFFAOYSA-N -1 1 316.365 0.616 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC1(CCO)CCCC1 ZINC001606594920 1170241097 /nfs/dbraw/zinc/24/10/97/1170241097.db2.gz PHEOMKGTMLKIFI-UHFFFAOYSA-N -1 1 316.365 0.616 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCc2ccccc21 ZINC001606620127 1170245474 /nfs/dbraw/zinc/24/54/74/1170245474.db2.gz DHZSXWZQUKBRGJ-LBPRGKRZSA-N -1 1 324.348 0.652 20 0 DCADMM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606689181 1170262219 /nfs/dbraw/zinc/26/22/19/1170262219.db2.gz OYMVEWYVSBOYRV-PWSUYJOCSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606689181 1170262223 /nfs/dbraw/zinc/26/22/23/1170262223.db2.gz OYMVEWYVSBOYRV-PWSUYJOCSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(NC[C@H](CO)c1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606695157 1170264682 /nfs/dbraw/zinc/26/46/82/1170264682.db2.gz LJNYDMRYLQFLRE-GFCCVEGCSA-N -1 1 324.344 0.768 20 0 DCADMM O=C(NC[C@H](CO)c1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606695157 1170264685 /nfs/dbraw/zinc/26/46/85/1170264685.db2.gz LJNYDMRYLQFLRE-GFCCVEGCSA-N -1 1 324.344 0.768 20 0 DCADMM CO[C@@]1(C(=O)[O-])CCN(CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC001606702933 1170268738 /nfs/dbraw/zinc/26/87/38/1170268738.db2.gz GXDOPWJEEOOMJP-INIZCTEOSA-N -1 1 324.352 0.926 20 0 DCADMM O=C(NCC1(CO)CCCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606705271 1170269124 /nfs/dbraw/zinc/26/91/24/1170269124.db2.gz MGZGSEJJJBWPCH-UHFFFAOYSA-N -1 1 317.353 0.936 20 0 DCADMM O=C(NCC1(CO)CCCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606705271 1170269128 /nfs/dbraw/zinc/26/91/28/1170269128.db2.gz MGZGSEJJJBWPCH-UHFFFAOYSA-N -1 1 317.353 0.936 20 0 DCADMM CO[C@@H]1CN(C(=O)Cc2csc(CN)n2)[C@@](C)(C(=O)[O-])C1 ZINC001606764533 1170281647 /nfs/dbraw/zinc/28/16/47/1170281647.db2.gz RTDAAOCJMWXFGH-TVQRCGJNSA-N -1 1 313.379 0.235 20 0 DCADMM O=C(NCCCN1CCCC1=O)c1coc(-c2nnn[n-]2)c1 ZINC001606767746 1170282943 /nfs/dbraw/zinc/28/29/43/1170282943.db2.gz HFOYLYLJBGCTEZ-UHFFFAOYSA-N -1 1 304.310 0.202 20 0 DCADMM O=C(NCCCN1CCCC1=O)c1coc(-c2nn[n-]n2)c1 ZINC001606767746 1170282949 /nfs/dbraw/zinc/28/29/49/1170282949.db2.gz HFOYLYLJBGCTEZ-UHFFFAOYSA-N -1 1 304.310 0.202 20 0 DCADMM O=C(NCCNC(=O)C1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001606778692 1170286155 /nfs/dbraw/zinc/28/61/55/1170286155.db2.gz DIYXBUFPYCPWRL-UHFFFAOYSA-N -1 1 306.351 0.184 20 0 DCADMM O=C(NCCOC1CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606786823 1170289204 /nfs/dbraw/zinc/28/92/04/1170289204.db2.gz KCGPRKXJOVBVDT-UHFFFAOYSA-N -1 1 303.326 0.952 20 0 DCADMM O=C(NCCOC1CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606786823 1170289208 /nfs/dbraw/zinc/28/92/08/1170289208.db2.gz KCGPRKXJOVBVDT-UHFFFAOYSA-N -1 1 303.326 0.952 20 0 DCADMM O=C(NCCc1ccc(=O)[nH]c1)c1ccc(-c2nnn[n-]2)o1 ZINC001606794353 1170292697 /nfs/dbraw/zinc/29/26/97/1170292697.db2.gz FMQGAUPFWXNFQF-UHFFFAOYSA-N -1 1 300.278 0.533 20 0 DCADMM O=C(NCCc1ccc(=O)[nH]c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606794353 1170292700 /nfs/dbraw/zinc/29/27/00/1170292700.db2.gz FMQGAUPFWXNFQF-UHFFFAOYSA-N -1 1 300.278 0.533 20 0 DCADMM COC[C@H](C)OC[C@@H](O)CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC001606798088 1170293735 /nfs/dbraw/zinc/29/37/35/1170293735.db2.gz LBHGHPCSPFSPRC-FZMZJTMJSA-N -1 1 312.366 0.624 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1coc(C(F)F)c1 ZINC001606802227 1170294348 /nfs/dbraw/zinc/29/43/48/1170294348.db2.gz IYYXTBOJDNFSPF-UHFFFAOYSA-N -1 1 324.251 0.419 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)C12CCC(CC1)C2 ZINC001606802332 1170295132 /nfs/dbraw/zinc/29/51/32/1170295132.db2.gz GVDMFBUESNBTKJ-UHFFFAOYSA-N -1 1 302.342 0.155 20 0 DCADMM 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-1 1 321.377 0.933 20 0 DCADMM C[C@@H](C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573721550 948540316 /nfs/dbraw/zinc/54/03/16/948540316.db2.gz YEJUHCHFSXXAHK-SECBINFHSA-N -1 1 316.369 0.255 20 0 DCADMM CCC(CC)(NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1nn[n-]n1 ZINC001570919077 948583819 /nfs/dbraw/zinc/58/38/19/948583819.db2.gz YEONRQJKMDHIQU-UHFFFAOYSA-N -1 1 316.329 0.153 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(OC)c1 ZINC001570919068 948584482 /nfs/dbraw/zinc/58/44/82/948584482.db2.gz NEMGUSGGLOXNGS-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(OC)c1 ZINC001570919068 948584487 /nfs/dbraw/zinc/58/44/87/948584487.db2.gz NEMGUSGGLOXNGS-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001570919190 948585861 /nfs/dbraw/zinc/58/58/61/948585861.db2.gz ONBWAXOIKCVSKB-VIFPVBQESA-N -1 1 314.353 0.152 20 0 DCADMM CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001570919190 948585863 /nfs/dbraw/zinc/58/58/63/948585863.db2.gz ONBWAXOIKCVSKB-VIFPVBQESA-N -1 1 314.353 0.152 20 0 DCADMM CC(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001570919635 948590899 /nfs/dbraw/zinc/59/08/99/948590899.db2.gz XMFFBJOBSQWQNJ-RISCZKNCSA-N -1 1 314.353 0.294 20 0 DCADMM CC(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001570919635 948590902 /nfs/dbraw/zinc/59/09/02/948590902.db2.gz XMFFBJOBSQWQNJ-RISCZKNCSA-N -1 1 314.353 0.294 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@H](O)c1ccco1 ZINC001570920560 948601958 /nfs/dbraw/zinc/60/19/58/948601958.db2.gz SYBDGVJHCIQDJS-NSHDSACASA-N -1 1 314.305 0.247 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@H](O)c1ccco1 ZINC001570920560 948601965 /nfs/dbraw/zinc/60/19/65/948601965.db2.gz SYBDGVJHCIQDJS-NSHDSACASA-N -1 1 314.305 0.247 20 0 DCADMM OC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H]1CCOC1 ZINC001570921312 948618552 /nfs/dbraw/zinc/61/85/52/948618552.db2.gz VFDRRTHOEVRRIG-NTSWFWBYSA-N -1 1 316.774 0.786 20 0 DCADMM OC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCOC1 ZINC001570921312 948618556 /nfs/dbraw/zinc/61/85/56/948618556.db2.gz VFDRRTHOEVRRIG-NTSWFWBYSA-N -1 1 316.774 0.786 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@H]1C1CCC1)c1cccnc1-c1nn[n-]n1 ZINC001570923254 948658615 /nfs/dbraw/zinc/65/86/15/948658615.db2.gz WEVYBEACBLBPIG-VHSXEESVSA-N -1 1 320.378 0.729 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC001263772690 948743294 /nfs/dbraw/zinc/74/32/94/948743294.db2.gz WYMGVLMMFUTOEJ-QMMMGPOBSA-N -1 1 308.363 0.226 20 0 DCADMM C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)C1 ZINC001263911650 948801602 /nfs/dbraw/zinc/80/16/02/948801602.db2.gz OTDISIYOYCSUCH-RYUDHWBXSA-N -1 1 320.397 0.239 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cnn(CCF)c3)nc2n1 ZINC001328625021 948993964 /nfs/dbraw/zinc/99/39/64/948993964.db2.gz WMBAFQOOPCOBRP-UHFFFAOYSA-N -1 1 305.273 0.144 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cnn(CC)c3)nc2n1 ZINC001328711509 949044761 /nfs/dbraw/zinc/04/47/61/949044761.db2.gz CUYAZWCNIOPFLD-UHFFFAOYSA-N -1 1 301.310 0.449 20 0 DCADMM C[C@@H](C(=O)Nc1cccc(F)c1)n1cc(CNCC(=O)[O-])nn1 ZINC001602795795 971558210 /nfs/dbraw/zinc/55/82/10/971558210.db2.gz OOWPCKKGKDRSJS-VIFPVBQESA-N -1 1 321.312 0.791 20 0 DCADMM CN(C/C=C\Cl)CCCNC(=O)c1c[n-]n2c1nccc2=O ZINC001265045361 949227445 /nfs/dbraw/zinc/22/74/45/949227445.db2.gz OMNCWIIZIAYTOC-DJWKRKHSSA-N -1 1 323.784 0.827 20 0 DCADMM CS(=O)(=O)CC1(CN2CCC(c3n[n-]c(=O)o3)CC2)CC1 ZINC001364420478 949242518 /nfs/dbraw/zinc/24/25/18/949242518.db2.gz RREYNWNTRLDOML-UHFFFAOYSA-N -1 1 315.395 0.779 20 0 DCADMM CCOC[C@H](O)C[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001364455139 949340115 /nfs/dbraw/zinc/34/01/15/949340115.db2.gz AEKGIFNPVBDBFI-AXFHLTTASA-N -1 1 312.332 0.915 20 0 DCADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573799116 949366104 /nfs/dbraw/zinc/36/61/04/949366104.db2.gz KJEGLTZXKQDYEL-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573799116 949366124 /nfs/dbraw/zinc/36/61/24/949366124.db2.gz KJEGLTZXKQDYEL-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)Cn1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)n1 ZINC001364483321 949402382 /nfs/dbraw/zinc/40/23/82/949402382.db2.gz CONJHPDHQVSOQW-UHFFFAOYSA-N -1 1 312.355 0.313 20 0 DCADMM CC(C)Cn1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)n1 ZINC001364483321 949402397 /nfs/dbraw/zinc/40/23/97/949402397.db2.gz CONJHPDHQVSOQW-UHFFFAOYSA-N -1 1 312.355 0.313 20 0 DCADMM O=C([O-])c1ccc(N2CCC(O)(CN3CCOCC3)CC2)nc1 ZINC001595236333 949410111 /nfs/dbraw/zinc/41/01/11/949410111.db2.gz SWOPWNVQIBUGGT-UHFFFAOYSA-N -1 1 321.377 0.443 20 0 DCADMM CC(C)CC(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574116570 949429703 /nfs/dbraw/zinc/42/97/03/949429703.db2.gz ANSJTUWVACDSMW-JTQLQIEISA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)CC(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574116570 949429714 /nfs/dbraw/zinc/42/97/14/949429714.db2.gz ANSJTUWVACDSMW-JTQLQIEISA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574116879 949438457 /nfs/dbraw/zinc/43/84/57/949438457.db2.gz GEKSXSMLZSQMKC-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CC(C)CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574116879 949438470 /nfs/dbraw/zinc/43/84/70/949438470.db2.gz GEKSXSMLZSQMKC-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CCCn1ncc(C(=O)NCc2n[n-]c(C(=O)OCC)n2)c1C ZINC001364504952 949445625 /nfs/dbraw/zinc/44/56/25/949445625.db2.gz JDEAKPXDWVDGAX-UHFFFAOYSA-N -1 1 320.353 0.826 20 0 DCADMM CCCn1ncc(C(=O)NCc2nc(C(=O)OCC)n[n-]2)c1C ZINC001364504952 949445631 /nfs/dbraw/zinc/44/56/31/949445631.db2.gz JDEAKPXDWVDGAX-UHFFFAOYSA-N -1 1 320.353 0.826 20 0 DCADMM COC(=O)c1c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)n[n-]c1OCCO ZINC001364510870 949453367 /nfs/dbraw/zinc/45/33/67/949453367.db2.gz ROGZFQALODAOMJ-OPRDCNLKSA-N -1 1 323.349 0.942 20 0 DCADMM COC(=O)c1c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)[n-]nc1OCCO ZINC001364510870 949453382 /nfs/dbraw/zinc/45/33/82/949453382.db2.gz ROGZFQALODAOMJ-OPRDCNLKSA-N -1 1 323.349 0.942 20 0 DCADMM CNc1ccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001364549723 949539949 /nfs/dbraw/zinc/53/99/49/949539949.db2.gz PTKBIQMSKQAIHQ-UHFFFAOYSA-N -1 1 315.333 0.622 20 0 DCADMM Cn1ncc(S(=O)(=O)[N-]CCN2CC=CC2)c1C(F)(F)F ZINC001329376695 949544346 /nfs/dbraw/zinc/54/43/46/949544346.db2.gz BDULCWQRINLAQF-UHFFFAOYSA-N -1 1 324.328 0.589 20 0 DCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCCF ZINC001575272358 949641156 /nfs/dbraw/zinc/64/11/56/949641156.db2.gz PPNOEUAIFUJNKO-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCF ZINC001575272358 949641169 /nfs/dbraw/zinc/64/11/69/949641169.db2.gz PPNOEUAIFUJNKO-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM COC(=O)N(C)CCCC(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001364652817 949701287 /nfs/dbraw/zinc/70/12/87/949701287.db2.gz XHYRSXYQLUWXKW-UHFFFAOYSA-N -1 1 312.374 0.663 20 0 DCADMM COCCn1cc(C(=O)NC2(c3nn[n-]n3)CCC2)c(C)n1 ZINC001364664430 949722522 /nfs/dbraw/zinc/72/25/22/949722522.db2.gz WGCLOUKHPLQIOC-UHFFFAOYSA-N -1 1 305.342 0.160 20 0 DCADMM COc1cc(S(=O)(=O)[N-][C@@H]2CCCCNC2=O)sn1 ZINC001364757439 949884882 /nfs/dbraw/zinc/88/48/82/949884882.db2.gz FAXKHFUAJYIOJG-SSDOTTSWSA-N -1 1 305.381 0.099 20 0 DCADMM COc1nscc1S(=O)(=O)[N-]C1CCN(C(C)=O)CC1 ZINC001364774115 949920544 /nfs/dbraw/zinc/92/05/44/949920544.db2.gz IPXXUVRMNIXONO-UHFFFAOYSA-N -1 1 319.408 0.441 20 0 DCADMM CC1CCC(C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001364787438 949941519 /nfs/dbraw/zinc/94/15/19/949941519.db2.gz YPOXCZZGUSGROF-UHFFFAOYSA-N -1 1 315.395 0.591 20 0 DCADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cnn3c2OCCC3)o1 ZINC001364793904 949951860 /nfs/dbraw/zinc/95/18/60/949951860.db2.gz LNHDVNPRWLFTFY-ZETCQYMHSA-N -1 1 313.339 0.397 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)c2cccnc2)[n-]n1 ZINC001364796397 949955810 /nfs/dbraw/zinc/95/58/10/949955810.db2.gz JWNPEIAFXRZSOV-VIFPVBQESA-N -1 1 324.362 0.973 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)c2cccnc2)n[n-]1 ZINC001364796397 949955825 /nfs/dbraw/zinc/95/58/25/949955825.db2.gz JWNPEIAFXRZSOV-VIFPVBQESA-N -1 1 324.362 0.973 20 0 DCADMM COC[C@H](NC(=O)c1cccc(OC)c1OC)c1nn[n-]n1 ZINC001364812619 949987629 /nfs/dbraw/zinc/98/76/29/949987629.db2.gz FBNKBGGKWRHMKS-VIFPVBQESA-N -1 1 307.310 0.334 20 0 DCADMM C[C@@]1(CCC(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)CCC(=O)N1 ZINC001364817967 949999277 /nfs/dbraw/zinc/99/92/77/949999277.db2.gz FPVGOHAELPQDPR-NHYWBVRUSA-N -1 1 320.397 0.430 20 0 DCADMM COc1nscc1S(=O)(=O)[N-]Cc1nnc(C)s1 ZINC001364822222 950014259 /nfs/dbraw/zinc/01/42/59/950014259.db2.gz WKBUKNPKGLCONK-UHFFFAOYSA-N -1 1 306.394 0.790 20 0 DCADMM CC(C)C[C@@H](C(=O)N1CC[C@H](c2nn[n-]n2)C1)n1ccnc1 ZINC001548763284 1013098097 /nfs/dbraw/zinc/09/80/97/1013098097.db2.gz XOFJGIZWLXHUND-RYUDHWBXSA-N -1 1 303.370 1.000 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)N[C@@]2(C)CCOC2=O)c1 ZINC001364849409 950066398 /nfs/dbraw/zinc/06/63/98/950066398.db2.gz 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0.740 20 0 DCADMM C/C(=C/C(=O)[O-])CN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001588949437 984673532 /nfs/dbraw/zinc/67/35/32/984673532.db2.gz SMFDLKYRMBRIFQ-BENRWUELSA-N -1 1 316.423 0.907 20 0 DCADMM C/C(=C\CN1CCC[C@@H](N2CCCS2(=O)=O)C1)C(=O)[O-] ZINC001588959526 984725822 /nfs/dbraw/zinc/72/58/22/984725822.db2.gz MBYSUXFSWKJWKP-JXDHDYMSSA-N -1 1 302.396 0.517 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001596684355 984779462 /nfs/dbraw/zinc/77/94/62/984779462.db2.gz YMNQHRMSFQXABQ-QJPTWQEYSA-N -1 1 312.366 0.193 20 0 DCADMM CNC(=O)[C@@]12CN(C(=O)c3nccc(C)c3[O-])C[C@H]1COCC2 ZINC001551433424 1015076454 /nfs/dbraw/zinc/07/64/54/1015076454.db2.gz BEZXDQFMCDSLAM-ZBEGNZNMSA-N -1 1 319.361 0.320 20 0 DCADMM CCOC(=O)c1cc(CNC[C@@H]2[C@@H](C(=O)[O-])C2(F)F)on1 ZINC001596707830 984918938 /nfs/dbraw/zinc/91/89/38/984918938.db2.gz ZXXUBSHCKCVRSN-APPZFPTMSA-N -1 1 304.249 0.907 20 0 DCADMM CCOC(=O)c1ccc(CNCCC(=O)NCCC(=O)[O-])o1 ZINC001596719922 984959453 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O=C(CCC1CC1)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001384720618 985764531 /nfs/dbraw/zinc/76/45/31/985764531.db2.gz DTYHBLQKHSFUJZ-DGCLKSJQSA-N -1 1 319.361 0.279 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CCc1cncnc1 ZINC001594513989 985818427 /nfs/dbraw/zinc/81/84/27/985818427.db2.gz BQBIHRVDAKFCNU-GFCCVEGCSA-N -1 1 306.366 0.417 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1Cc2cccnc2C1 ZINC001594514970 985862766 /nfs/dbraw/zinc/86/27/66/985862766.db2.gz LKYSHZSCBFRPHE-GXTWGEPZSA-N -1 1 317.389 0.804 20 0 DCADMM CO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001384848832 985890897 /nfs/dbraw/zinc/89/08/97/985890897.db2.gz VAWOKAAPTZJMME-QJPTWQEYSA-N -1 1 321.377 0.979 20 0 DCADMM C[C@H](C(=O)N(C)C1CCCCC1)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001589336076 986216716 /nfs/dbraw/zinc/21/67/16/986216716.db2.gz DEUVFQDIIFZYRH-MBNYWOFBSA-N -1 1 312.410 0.933 20 0 DCADMM O=C(CC1(O)CCC1)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385570522 986438521 /nfs/dbraw/zinc/43/85/21/986438521.db2.gz DOWQTEHULKCCKE-NSHDSACASA-N -1 1 319.361 0.423 20 0 DCADMM C[C@@H]1CN2CCN1C[C@@H]2C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001594584855 986469902 /nfs/dbraw/zinc/46/99/02/986469902.db2.gz OPQBPRHCKCDWQL-FOGDFJRCSA-N -1 1 309.391 0.378 20 0 DCADMM CO[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)C ZINC001385736932 986561010 /nfs/dbraw/zinc/56/10/10/986561010.db2.gz PDKMTKUIHTYHGQ-SMDDNHRTSA-N -1 1 321.377 0.789 20 0 DCADMM C[C@@H](C(=O)NCC(=O)[O-])N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001589401632 986573548 /nfs/dbraw/zinc/57/35/48/986573548.db2.gz VEMIIUKGAYIIEZ-IACUBPJLSA-N -1 1 306.362 0.111 20 0 DCADMM CO[C@H](C)CCC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001450600005 1015240082 /nfs/dbraw/zinc/24/00/82/1015240082.db2.gz QIZJYDZMOOIWRT-LLVKDONJSA-N -1 1 321.377 0.791 20 0 DCADMM C[C@H](C(=O)NCc1cccs1)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001589416150 986651416 /nfs/dbraw/zinc/65/14/16/986651416.db2.gz RYRPYLQMYUBIMB-GMTAPVOTSA-N -1 1 312.391 0.520 20 0 DCADMM C[C@@H]1NCCn2c(C(=O)N[C@H]3C[C@@H](C(=O)[O-])[C@@H]4C[C@@H]43)ccc21 ZINC001594631620 986734694 /nfs/dbraw/zinc/73/46/94/986734694.db2.gz IJDXVNDHGGCEIV-MJDLHHQISA-N -1 1 303.362 0.991 20 0 DCADMM C[C@H]1NCCN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])[C@@H]1C ZINC001594632582 986741336 /nfs/dbraw/zinc/74/13/36/986741336.db2.gz OBCHMRAIDMMNCF-RKDXNWHRSA-N -1 1 316.354 0.895 20 0 DCADMM CO[C@H](C)CC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001386057912 986786775 /nfs/dbraw/zinc/78/67/75/986786775.db2.gz YAOAFZVTWKQIQV-MNOVXSKESA-N -1 1 307.350 0.543 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1csc(=O)[nH]1 ZINC001386237227 986985277 /nfs/dbraw/zinc/98/52/77/986985277.db2.gz JYTAGVHXEHLWOW-ZETCQYMHSA-N -1 1 322.346 0.498 20 0 DCADMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001526514790 1015292195 /nfs/dbraw/zinc/29/21/95/1015292195.db2.gz MCACZBPIWVIQPA-WDMOLILDSA-N -1 1 321.377 0.837 20 0 DCADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1ncc[nH]1 ZINC001386667846 987287524 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CCO[C@H](C)C(=O)NCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001387407315 987814586 /nfs/dbraw/zinc/81/45/86/987814586.db2.gz CEANBYYHHIUDDY-GHMZBOCLSA-N -1 1 309.366 0.837 20 0 DCADMM CC(C)(C)CCN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001589774394 988132692 /nfs/dbraw/zinc/13/26/92/988132692.db2.gz ISVYGLZVCDDDCS-VXGBXAGGSA-N -1 1 312.410 0.696 20 0 DCADMM CC(C)(C)NC(=O)CN1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001589823610 988281137 /nfs/dbraw/zinc/28/11/37/988281137.db2.gz KJVVBARRXZZLKR-UHFFFAOYSA-N -1 1 309.370 0.528 20 0 DCADMM CC(C)[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1ncccc1[O-] ZINC001388858276 988631009 /nfs/dbraw/zinc/63/10/09/988631009.db2.gz FFINOMZVDUILJF-WCQYABFASA-N -1 1 321.377 0.837 20 0 DCADMM COCC(=O)N(C)C[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001388860485 988632219 /nfs/dbraw/zinc/63/22/19/988632219.db2.gz YZWVSFWKMVTHMI-LLVKDONJSA-N -1 1 307.350 0.354 20 0 DCADMM C[C@@H](CN(C)C)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001599835818 988739633 /nfs/dbraw/zinc/73/96/33/988739633.db2.gz 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CC(C)(CNS(=O)(=O)c1c[n-]c(C(=O)[O-])c1)n1cc[nH+]c1 ZINC001590777090 990581758 /nfs/dbraw/zinc/58/17/58/990581758.db2.gz VLROPPHZBJMAAC-UHFFFAOYSA-N -1 1 312.351 0.623 20 0 DCADMM Cc1ccc(C)c(C2=NO[C@@H](C(=O)N(C)c3nn[n-]n3)C2)c1 ZINC001552963542 1015579704 /nfs/dbraw/zinc/57/97/04/1015579704.db2.gz UUPZKTYTTQMKEA-GFCCVEGCSA-N -1 1 300.322 0.973 20 0 DCADMM CC(C)(N)c1noc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001590835879 990692292 /nfs/dbraw/zinc/69/22/92/990692292.db2.gz CNCOGZGTPYVKJS-QMMMGPOBSA-N -1 1 321.341 0.000 20 0 DCADMM CC1(C)C[C@H]1C(=O)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391303065 990732361 /nfs/dbraw/zinc/73/23/61/990732361.db2.gz MKOZIDQYASSKSQ-QWRGUYRKSA-N -1 1 307.398 0.885 20 0 DCADMM CC(C)[C@@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1ncccc1[O-] ZINC001391558919 990946374 /nfs/dbraw/zinc/94/63/74/990946374.db2.gz QCIZNTZTRWECOH-NWDGAFQWSA-N -1 1 321.377 0.694 20 0 DCADMM CN(C)Cc1ccsc1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001598253907 991052119 /nfs/dbraw/zinc/05/21/19/991052119.db2.gz NEDQTEXYWYATBK-UHFFFAOYSA-N -1 1 323.378 0.529 20 0 DCADMM CN(C)Cc1ccsc1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001598254040 991053018 /nfs/dbraw/zinc/05/30/18/991053018.db2.gz SHDQJMBNWDLEKO-NSHDSACASA-N -1 1 322.390 0.959 20 0 DCADMM COc1cccc2c1CC[C@]2(N)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001599690134 991055082 /nfs/dbraw/zinc/05/50/82/991055082.db2.gz UMFGXPCTKHVIGK-JKSUJKDBSA-N -1 1 322.336 0.821 20 0 DCADMM CN([C@H]1CN2CCC1CC2)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001598374703 991554224 /nfs/dbraw/zinc/55/42/24/991554224.db2.gz GRLMDPKNGSRGKS-NSHDSACASA-N -1 1 302.396 0.207 20 0 DCADMM CN(CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[C@@H]1CCC[C@H]1O ZINC001598379624 991577311 /nfs/dbraw/zinc/57/73/11/991577311.db2.gz ZWEOHVGVTGZGHT-KXUCPTDWSA-N -1 1 306.309 0.152 20 0 DCADMM CN(CC(=O)N1CCSC[C@@H]1C(=O)[O-])[C@@H]1CCSC1 ZINC001598380960 991588508 /nfs/dbraw/zinc/58/85/08/991588508.db2.gz SYTMTGYLCSLJGC-NXEZZACHSA-N -1 1 304.437 0.452 20 0 DCADMM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001598399935 991688485 /nfs/dbraw/zinc/68/84/85/991688485.db2.gz HKAJWQNACQNPNB-KLPPZKSPSA-N -1 1 305.334 0.519 20 0 DCADMM CN(CC(C)(C)CNCc1cnon1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598423398 991759453 /nfs/dbraw/zinc/75/94/53/991759453.db2.gz CYXGKMMVGAGSSE-QWRGUYRKSA-N -1 1 310.354 0.365 20 0 DCADMM COc1ncccc1CNC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001599737661 991798731 /nfs/dbraw/zinc/79/87/31/991798731.db2.gz STUBDUCBNJRTCJ-VXGBXAGGSA-N -1 1 319.361 0.549 20 0 DCADMM CN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ncnc2[nH]cnc21 ZINC001598480007 992133380 /nfs/dbraw/zinc/13/33/80/992133380.db2.gz QJFKRALFDKTFND-DTWKUNHWSA-N -1 1 318.337 0.016 20 0 DCADMM CC(C)CCOC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001591252404 992153061 /nfs/dbraw/zinc/15/30/61/992153061.db2.gz YXJFUPSMYTUYQE-UHFFFAOYSA-N -1 1 315.414 0.803 20 0 DCADMM Cc1ccccc1OCC(=O)N[C@@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001392619430 992167714 /nfs/dbraw/zinc/16/77/14/992167714.db2.gz ZORFORQFDHTUFX-NSHDSACASA-N -1 1 319.365 0.492 20 0 DCADMM C[C@@H](CN(C)Cc1cc(=O)n2[n-]ccc2n1)NC(=O)C1CCC1 ZINC001392624689 992172370 /nfs/dbraw/zinc/17/23/70/992172370.db2.gz PDYQACADEXHBQN-NSHDSACASA-N -1 1 317.393 0.759 20 0 DCADMM CC(C)N(C)C(=O)CN(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001392651684 992207363 /nfs/dbraw/zinc/20/73/63/992207363.db2.gz QWYFZEVLRFMAGO-LBPRGKRZSA-N -1 1 322.409 0.704 20 0 DCADMM CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1n[nH]c(C(C)(C)C)n1 ZINC001598491315 992296303 /nfs/dbraw/zinc/29/63/03/992296303.db2.gz NVYXJORIHVYLJF-ZJUUUORDSA-N -1 1 323.397 0.371 20 0 DCADMM CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1ccc2nonc2c1 ZINC001598491596 992300597 /nfs/dbraw/zinc/30/05/97/992300597.db2.gz QMDYLBKUJCMRQK-QWRGUYRKSA-N -1 1 318.333 0.492 20 0 DCADMM Cc1nc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)c(C)o1 ZINC001392808523 992415392 /nfs/dbraw/zinc/41/53/92/992415392.db2.gz XRCVMJOEEGZPGJ-JTQLQIEISA-N -1 1 320.353 0.413 20 0 DCADMM CC(C)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC001591380068 992424375 /nfs/dbraw/zinc/42/43/75/992424375.db2.gz RCZJJPIAYGXCBS-GHMZBOCLSA-N -1 1 322.365 0.265 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)C(C)(C)C2CC2)nc1=O ZINC001392852987 992463608 /nfs/dbraw/zinc/46/36/08/992463608.db2.gz CZJDGUGHVNVUGX-NSHDSACASA-N -1 1 307.398 0.235 20 0 DCADMM Cc1n[nH]c(C(=O)NCC2(NCc3ccn(C)n3)CCC2)c1[O-] ZINC001393539841 993066868 /nfs/dbraw/zinc/06/68/68/993066868.db2.gz YZLIIZSFQFRZEY-UHFFFAOYSA-N -1 1 318.381 0.600 20 0 DCADMM Cn1ccc(C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)c1 ZINC001393612201 993125745 /nfs/dbraw/zinc/12/57/45/993125745.db2.gz YVHWSEGHAKEGOC-UHFFFAOYSA-N -1 1 314.345 0.818 20 0 DCADMM CN1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001598570007 993184453 /nfs/dbraw/zinc/18/44/53/993184453.db2.gz OTFDKTXIJULAEG-GGZOMVNGSA-N -1 1 324.299 0.307 20 0 DCADMM C[C@@H](NC(=O)c1cc(Cl)c[nH]1)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001393930458 993352377 /nfs/dbraw/zinc/35/23/77/993352377.db2.gz VCMXBALYOOAENT-NKWVEPMBSA-N -1 1 312.761 0.788 20 0 DCADMM CCc1ccnc(C(=O)N[C@@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001393958547 993372737 /nfs/dbraw/zinc/37/27/37/993372737.db2.gz ZUOCBTXIPVYDGE-UWVGGRQHSA-N -1 1 318.381 0.764 20 0 DCADMM CCc1ccnc(C(=O)N[C@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001393958550 993373453 /nfs/dbraw/zinc/37/34/53/993373453.db2.gz ZUOCBTXIPVYDGE-VHSXEESVSA-N -1 1 318.381 0.764 20 0 DCADMM CN1CC[C@@H](N2CCC(Nc3cc(C(=O)[O-])ncn3)CC2)C1=O ZINC001598585788 993380380 /nfs/dbraw/zinc/38/03/80/993380380.db2.gz NCVLZHOXJKSZFI-GFCCVEGCSA-N -1 1 319.365 0.282 20 0 DCADMM CN1CC[C@H]1CNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001598588943 993424233 /nfs/dbraw/zinc/42/42/33/993424233.db2.gz MXRXLMHKHSERSF-UWVGGRQHSA-N -1 1 307.354 0.420 20 0 DCADMM CN1CC[C@H]1CNC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001598588984 993425779 /nfs/dbraw/zinc/42/57/79/993425779.db2.gz ONBLVRQXLLBAJC-VIFPVBQESA-N -1 1 312.757 0.937 20 0 DCADMM Cc1cncc(C(=O)N(C)C[C@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001394472368 993743628 /nfs/dbraw/zinc/74/36/28/993743628.db2.gz VHPAPCQLPNQKFU-JTQLQIEISA-N -1 1 304.354 0.464 20 0 DCADMM C[C@H](CN(C)C(=O)C1(C(F)(F)F)CC1)NCc1n[nH]c(=O)[n-]1 ZINC001394520540 993793639 /nfs/dbraw/zinc/79/36/39/993793639.db2.gz GFCVEOQLNFHELJ-SSDOTTSWSA-N -1 1 321.303 0.789 20 0 DCADMM COc1ccccc1C(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001394542951 993812674 /nfs/dbraw/zinc/81/26/74/993812674.db2.gz RLDMAPKEUNXABD-JTQLQIEISA-N -1 1 319.365 0.769 20 0 DCADMM Cn1c(C(=O)[O-])ccc1C(=O)N1CCN(C)CCN(C)CC1 ZINC001598615323 993868745 /nfs/dbraw/zinc/86/87/45/993868745.db2.gz WOOKEOIPUPMRHK-UHFFFAOYSA-N -1 1 308.382 0.043 20 0 DCADMM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CN(C)CCN1C ZINC001593160292 993991301 /nfs/dbraw/zinc/99/13/01/993991301.db2.gz XEUVFWWKQOEXRL-ZWNOBZJWSA-N -1 1 306.366 0.144 20 0 DCADMM CN1CCN(c2ccccc2NC(=O)COCC(=O)[O-])CC1 ZINC001598622825 994033766 /nfs/dbraw/zinc/03/37/66/994033766.db2.gz GEQJJFSCSGIUNL-UHFFFAOYSA-N -1 1 307.350 0.478 20 0 DCADMM C[C@H](NC(=O)c1ccccc1C(=O)[O-])[C@@H]1CN(C)CCN1C ZINC001593179437 994063104 /nfs/dbraw/zinc/06/31/04/994063104.db2.gz SQDUMTIOIFBROD-FZMZJTMJSA-N -1 1 305.378 0.749 20 0 DCADMM COc1ccc([C@H](C)N[C@@H](C)C(=O)NCC(=O)[O-])c(OC)c1 ZINC001599620581 994074806 /nfs/dbraw/zinc/07/48/06/994074806.db2.gz GERAVQMQVGCDOO-UWVGGRQHSA-N -1 1 310.350 0.944 20 0 DCADMM C[C@@H](N[C@H](c1nnc[nH]1)c1ccccc1)C(=O)NCC(=O)[O-] ZINC001593210901 994256581 /nfs/dbraw/zinc/25/65/81/994256581.db2.gz UGAPTZWZXYPYFF-SKDRFNHKSA-N -1 1 303.322 0.073 20 0 DCADMM CCn1cnc(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])c1 ZINC001400263235 994352705 /nfs/dbraw/zinc/35/27/05/994352705.db2.gz QHRSVJGDAIXWJJ-JTQLQIEISA-N -1 1 317.349 0.552 20 0 DCADMM C[C@@H](NCC(=O)N1CCNC1=O)c1ccc(OCC(=O)[O-])cc1 ZINC001593230438 994362391 /nfs/dbraw/zinc/36/23/91/994362391.db2.gz IRKNOJQTVZYLBA-SNVBAGLBSA-N -1 1 321.333 0.352 20 0 DCADMM C[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1cncc(C(=O)[O-])c1 ZINC001593232839 994387494 /nfs/dbraw/zinc/38/74/94/994387494.db2.gz PHKJUENTNWAFDK-CABZTGNLSA-N -1 1 313.379 0.464 20 0 DCADMM CO[C@@H](C)CC(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001400424391 994500848 /nfs/dbraw/zinc/50/08/48/994500848.db2.gz JXWVPPWMVHWWRG-WDEREUQCSA-N -1 1 307.350 0.543 20 0 DCADMM CO[C@@H](C)CC(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001400424389 994501033 /nfs/dbraw/zinc/50/10/33/994501033.db2.gz JXWVPPWMVHWWRG-QWRGUYRKSA-N -1 1 307.350 0.543 20 0 DCADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NC[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001395429219 994651222 /nfs/dbraw/zinc/65/12/22/994651222.db2.gz YWSSLLYPCWODGA-LBELIVKGSA-N -1 1 317.393 0.866 20 0 DCADMM NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001464130724 1015884813 /nfs/dbraw/zinc/88/48/13/1015884813.db2.gz XZULLRRIKVLKTF-UHFFFAOYSA-N -1 1 314.301 0.255 20 0 DCADMM Cc1conc1C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001395559537 994750905 /nfs/dbraw/zinc/75/09/05/994750905.db2.gz IDMUGNBRVACTGZ-SNVBAGLBSA-N -1 1 318.333 0.974 20 0 DCADMM C[C@@H](NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])c1nnc[nH]1 ZINC001593330149 994890571 /nfs/dbraw/zinc/89/05/71/994890571.db2.gz DWICULGDSBQSOC-ZCFIWIBFSA-N -1 1 314.298 0.682 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)N2CC(c3nnc(C)[nH]3)C2)c1 ZINC001464534920 1015919264 /nfs/dbraw/zinc/91/92/64/1015919264.db2.gz CWIKKJUNEMZTGM-UHFFFAOYSA-N -1 1 324.362 0.615 20 0 DCADMM C[C@@](O)(CN1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1)C(=O)[O-] ZINC001593396885 995147870 /nfs/dbraw/zinc/14/78/70/995147870.db2.gz XMNHYBCSBXHVSI-OAHLLOKOSA-N -1 1 320.349 0.226 20 0 DCADMM COC(=O)[C@H](CF)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001598696855 995152712 /nfs/dbraw/zinc/15/27/12/995152712.db2.gz AXOGVDYDHWWJBB-JTQLQIEISA-N -1 1 319.310 0.315 20 0 DCADMM CC(C)(C)OC(=O)NC[C@@](C)(O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC001593407760 995176665 /nfs/dbraw/zinc/17/66/65/995176665.db2.gz SHKGOFHWMOLFPS-KGLIPLIRSA-N -1 1 320.361 0.761 20 0 DCADMM COC(=O)[C@H](CCC(=O)[O-])N1CCC[C@@H](CCNC(C)=O)C1 ZINC001598698513 995182721 /nfs/dbraw/zinc/18/27/21/995182721.db2.gz KTNBTKILIPXPTG-STQMWFEESA-N -1 1 314.382 0.631 20 0 DCADMM CN(C[C@@H](O)CNC(=O)c1ncccc1[O-])C(=O)[C@H]1CC12CC2 ZINC001396059404 995182650 /nfs/dbraw/zinc/18/26/50/995182650.db2.gz MHDFYSNYBMHCKV-WDEREUQCSA-N -1 1 319.361 0.136 20 0 DCADMM CO[C@H](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001396400928 995367564 /nfs/dbraw/zinc/36/75/64/995367564.db2.gz PXXPQYXHJGIBNF-IJLUTSLNSA-N -1 1 321.377 0.789 20 0 DCADMM CCS(=O)(CC)=NS(=O)(=O)[N-]CC(C)(C)[C@@H](C)O ZINC001464724176 1015940494 /nfs/dbraw/zinc/94/04/94/1015940494.db2.gz CCJJWBXXRCRIBU-SECBINFHSA-N -1 1 300.446 0.736 20 0 DCADMM Cc1c(Br)ccc(C(=O)NCc2nn[n-]n2)c1N ZINC001464844842 1015955201 /nfs/dbraw/zinc/95/52/01/1015955201.db2.gz CTOLAEOAXSHROV-UHFFFAOYSA-N -1 1 311.143 0.783 20 0 DCADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CC[C@H]1COC(C)(C)O1 ZINC001598748936 995626862 /nfs/dbraw/zinc/62/68/62/995626862.db2.gz DKCFQEUCEDYOLG-WOPDTQHZSA-N -1 1 315.366 0.866 20 0 DCADMM 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DCADMM CN(CCNC(=O)c1ccccn1)C(=O)c1ncccc1[O-] ZINC001455129645 1009506009 /nfs/dbraw/zinc/50/60/09/1009506009.db2.gz IFTMBBOUEFCXAO-UHFFFAOYSA-N -1 1 300.318 0.684 20 0 DCADMM CO[C@H](C)CCC(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001455212575 1009586894 /nfs/dbraw/zinc/58/68/94/1009586894.db2.gz ZMBOKZGMOBJHFY-LLVKDONJSA-N -1 1 309.366 0.791 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)Cn1cncn1 ZINC001442660083 1009593067 /nfs/dbraw/zinc/59/30/67/1009593067.db2.gz WVPWDLSPVYDHCA-ZETCQYMHSA-N -1 1 308.367 0.623 20 0 DCADMM C[C@H](NC(N)=O)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001434131627 1009598827 /nfs/dbraw/zinc/59/88/27/1009598827.db2.gz WKZNQBARNIMOTH-FXQIFTODSA-N -1 1 324.303 0.101 20 0 DCADMM CNc1nc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)cs1 ZINC001434199052 1009654476 /nfs/dbraw/zinc/65/44/76/1009654476.db2.gz DOLKVIXLYRZEGB-LURJTMIESA-N -1 1 313.412 0.922 20 0 DCADMM CSCC[C@H](NC(=O)Cn1cc(Cl)cn1)c1nn[n-]n1 ZINC001434200021 1009655210 /nfs/dbraw/zinc/65/52/10/1009655210.db2.gz 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1009830964 /nfs/dbraw/zinc/83/09/64/1009830964.db2.gz DARLSCXWTZLCTG-NWDGAFQWSA-N -1 1 303.322 0.317 20 0 DCADMM Cc1noc(CN[C@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001422308606 1009836730 /nfs/dbraw/zinc/83/67/30/1009836730.db2.gz UGUPXAPINKLGHY-RKDXNWHRSA-N -1 1 305.338 0.775 20 0 DCADMM Cc1nc(N)nc(C)c1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001434365894 1009844546 /nfs/dbraw/zinc/84/45/46/1009844546.db2.gz UIBRLHQFRHDUNN-SNVBAGLBSA-N -1 1 316.369 0.284 20 0 DCADMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)[C@@H]1CC(C)=NO1 ZINC001455632279 1009870149 /nfs/dbraw/zinc/87/01/49/1009870149.db2.gz ATYKXLSEPIZMMW-UWVGGRQHSA-N -1 1 321.337 0.810 20 0 DCADMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@@H]1CC(C)=NO1 ZINC001455632279 1009870167 /nfs/dbraw/zinc/87/01/67/1009870167.db2.gz ATYKXLSEPIZMMW-UWVGGRQHSA-N -1 1 321.337 0.810 20 0 DCADMM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)[C@@H]1CC(C)=NO1 ZINC001455632279 1009870181 /nfs/dbraw/zinc/87/01/81/1009870181.db2.gz ATYKXLSEPIZMMW-UWVGGRQHSA-N -1 1 321.337 0.810 20 0 DCADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](O)c1ccnn1C ZINC001434389902 1009887155 /nfs/dbraw/zinc/88/71/55/1009887155.db2.gz FMZKDBNCMSFYOW-NSHDSACASA-N -1 1 319.365 0.811 20 0 DCADMM CC[C@H](C)Oc1cc(C(=O)N[C@@H](COC)c2nn[n-]n2)ccn1 ZINC001455728260 1009930491 /nfs/dbraw/zinc/93/04/91/1009930491.db2.gz HDRWCEGPTAZHSQ-ONGXEEELSA-N -1 1 320.353 0.890 20 0 DCADMM COC[C@H](NC(=O)c1cnn(CC2CCCC2)c1)c1nn[n-]n1 ZINC001455725910 1009931030 /nfs/dbraw/zinc/93/10/30/1009931030.db2.gz BYDLVBCTKHWJLU-LBPRGKRZSA-N -1 1 319.369 0.704 20 0 DCADMM COc1c(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)cnn1C ZINC001455741679 1009946400 /nfs/dbraw/zinc/94/64/00/1009946400.db2.gz ITYSKCJVTXXFRQ-VIFPVBQESA-N -1 1 305.342 0.037 20 0 DCADMM COC(=O)c1c(NC(=O)[C@@H](F)C(C)C)n[n-]c1OCCO ZINC001434436202 1009953496 /nfs/dbraw/zinc/95/34/96/1009953496.db2.gz BXYVWVYOTMJUSJ-QMMMGPOBSA-N -1 1 303.290 0.500 20 0 DCADMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)[C@@H](F)C(C)C ZINC001434436202 1009953503 /nfs/dbraw/zinc/95/35/03/1009953503.db2.gz BXYVWVYOTMJUSJ-QMMMGPOBSA-N -1 1 303.290 0.500 20 0 DCADMM CCOC(=O)[C@H](COC)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001455771289 1009961383 /nfs/dbraw/zinc/96/13/83/1009961383.db2.gz FDTBVVMGVJUFKF-LBPRGKRZSA-N -1 1 309.318 0.821 20 0 DCADMM CSc1ncc(C(=O)N[C@H](CO)C[C@H]2CCCO2)c(=O)[n-]1 ZINC001455851835 1009998018 /nfs/dbraw/zinc/99/80/18/1009998018.db2.gz ZUQXTPQUWKEKFG-DTWKUNHWSA-N -1 1 313.379 0.564 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)Cc1ccncc1 ZINC001434555569 1010082286 /nfs/dbraw/zinc/08/22/86/1010082286.db2.gz QBNFPAHPNYYYRZ-VIFPVBQESA-N -1 1 324.362 0.501 20 0 DCADMM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1csnc1OC ZINC001434556398 1010085600 /nfs/dbraw/zinc/08/56/00/1010085600.db2.gz JJYVZLDGVGUUMU-UHFFFAOYSA-N -1 1 307.397 0.202 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCOC[C@@H]1C ZINC001434565262 1010096962 /nfs/dbraw/zinc/09/69/62/1010096962.db2.gz HULNUHNDSVKVNM-IUCAKERBSA-N -1 1 317.367 0.147 20 0 DCADMM Cc1conc1CS(=O)(=O)[N-][C@@H](C)[C@@H](O)C(F)(F)F ZINC001434583995 1010118907 /nfs/dbraw/zinc/11/89/07/1010118907.db2.gz CGTJCDUNMOPVKK-POYBYMJQSA-N -1 1 302.274 0.714 20 0 DCADMM COc1cc(S(=O)(=O)[N-]Cc2ccc[nH]c2=O)sn1 ZINC001434592125 1010124246 /nfs/dbraw/zinc/12/42/46/1010124246.db2.gz UZSKOFXBMZVYPV-UHFFFAOYSA-N -1 1 301.349 0.731 20 0 DCADMM O=S(=O)([N-][C@H](CO)c1ncc[nH]1)c1ccc(C(F)F)o1 ZINC001434638915 1010148873 /nfs/dbraw/zinc/14/88/73/1010148873.db2.gz RIOJZIWNBRAOKP-ZCFIWIBFSA-N -1 1 307.278 0.952 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1COC(C)(C)C1 ZINC001434647023 1010154964 /nfs/dbraw/zinc/15/49/64/1010154964.db2.gz YQUBQACCHVBHPN-ZETCQYMHSA-N -1 1 303.340 0.042 20 0 DCADMM Cn1[n-]c(CN[C@@H](CNC(=O)C2CC2)c2ccccc2)nc1=O ZINC001443126312 1010160567 /nfs/dbraw/zinc/16/05/67/1010160567.db2.gz IOFSFHGLHGHQHO-ZDUSSCGKSA-N -1 1 315.377 0.466 20 0 DCADMM CC(C)c1cc(C(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)nn1C ZINC001422493350 1010178081 /nfs/dbraw/zinc/17/80/81/1010178081.db2.gz GIZORIBDXMRLFX-SECBINFHSA-N -1 1 321.385 0.275 20 0 DCADMM Cc1nnc(CN(C)[C@@H](C)CNC(=O)c2ncccc2[O-])o1 ZINC001422497495 1010184690 /nfs/dbraw/zinc/18/46/90/1010184690.db2.gz VBEOKAVWOLDCHQ-VIFPVBQESA-N -1 1 305.338 0.729 20 0 DCADMM CCC(C)(C)CC(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001422507139 1010206560 /nfs/dbraw/zinc/20/65/60/1010206560.db2.gz HSENGOXSIQPIBY-LLVKDONJSA-N -1 1 311.430 0.871 20 0 DCADMM CC(F)(F)CC(=O)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001443253700 1010267687 /nfs/dbraw/zinc/26/76/87/1010267687.db2.gz YCYNYVCQEUMGMR-VIFPVBQESA-N -1 1 317.340 0.884 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC12CCCC2)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001422576531 1010332381 /nfs/dbraw/zinc/33/23/81/1010332381.db2.gz AOYYXTXJTNNJBH-VXGBXAGGSA-N -1 1 321.425 0.625 20 0 DCADMM C[C@@H](C(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1cccc(O)c1 ZINC001443449420 1010413779 /nfs/dbraw/zinc/41/37/79/1010413779.db2.gz LLYHUAORTWRRBC-BXKDBHETSA-N -1 1 303.322 0.609 20 0 DCADMM COc1ccc(C(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)cc1F ZINC001422673065 1010477767 /nfs/dbraw/zinc/47/77/67/1010477767.db2.gz MWJGPOVJXYYZGJ-QMMMGPOBSA-N -1 1 323.328 0.566 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cc2c([nH]1)CCC2 ZINC001422733385 1010542492 /nfs/dbraw/zinc/54/24/92/1010542492.db2.gz ZGXQHHLWVHHQGM-QMMMGPOBSA-N -1 1 304.354 0.235 20 0 DCADMM Cn1cc(S(=O)(=O)[N-]CCC2(F)CCC2)c(=O)[nH]c1=O ZINC001475355326 1017099632 /nfs/dbraw/zinc/09/96/32/1017099632.db2.gz HINQLFQKSPOMTH-UHFFFAOYSA-N -1 1 305.331 0.047 20 0 DCADMM COc1cccc(CC(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)c1 ZINC001422751252 1010566551 /nfs/dbraw/zinc/56/65/51/1010566551.db2.gz VIOQUIOSTGZZHS-JTQLQIEISA-N -1 1 319.365 0.356 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001422751400 1010567959 /nfs/dbraw/zinc/56/79/59/1010567959.db2.gz WXMGVSMSMIYFET-QWRGUYRKSA-N -1 1 319.365 0.572 20 0 DCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCO1)NC(=O)c1ncccc1[O-] ZINC001443712886 1010604567 /nfs/dbraw/zinc/60/45/67/1010604567.db2.gz HDERKPBZIYNHEL-PWSUYJOCSA-N -1 1 307.350 0.543 20 0 DCADMM CCCOCC(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001509417602 1017298117 /nfs/dbraw/zinc/29/81/17/1017298117.db2.gz PUIBCRNVRRZXNG-NSHDSACASA-N -1 1 321.377 0.791 20 0 DCADMM O=C(N[C@@H](CNCc1nncs1)C1CC1)c1ncccc1[O-] ZINC001422984232 1010786433 /nfs/dbraw/zinc/78/64/33/1010786433.db2.gz VROPRVKSQUOULB-JTQLQIEISA-N -1 1 319.390 0.937 20 0 DCADMM CCc1cc(C(=O)NC[C@@H](CC)NCc2n[nH]c(=O)[n-]2)no1 ZINC001444023527 1010808785 /nfs/dbraw/zinc/80/87/85/1010808785.db2.gz BFUXYAJUVBQSRW-MRVPVSSYSA-N -1 1 308.342 0.359 20 0 DCADMM COC(=O)C[N-]S(=O)(=O)[C@H]1CCc2ccccc2[C@@H]1OC ZINC001423592259 1011323359 /nfs/dbraw/zinc/32/33/59/1011323359.db2.gz RKTQKWLIAPYVJS-JSGCOSHPSA-N -1 1 313.375 0.781 20 0 DCADMM CCC(CC)C(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001431503905 1011335164 /nfs/dbraw/zinc/33/51/64/1011335164.db2.gz ZQGQTVLLISLGJA-NSHDSACASA-N -1 1 309.366 0.430 20 0 DCADMM O=C(Cc1cnoc1)NC/C=C/CNC(=O)c1ncccc1[O-] ZINC001533462080 1011406105 /nfs/dbraw/zinc/40/61/05/1011406105.db2.gz IPKCUFUJBJYRAR-OWOJBTEDSA-N -1 1 316.317 0.420 20 0 DCADMM CCC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)OC)n[n-]1 ZINC001423721237 1011451202 /nfs/dbraw/zinc/45/12/02/1011451202.db2.gz OYNIOPPGBZNART-NSHDSACASA-N -1 1 305.356 0.026 20 0 DCADMM CCC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)OC)[n-]n1 ZINC001423721237 1011451210 /nfs/dbraw/zinc/45/12/10/1011451210.db2.gz OYNIOPPGBZNART-NSHDSACASA-N -1 1 305.356 0.026 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccnnc1 ZINC001431612748 1011465621 /nfs/dbraw/zinc/46/56/21/1011465621.db2.gz YRADWXHDHAIHBR-UHFFFAOYSA-N -1 1 315.333 0.469 20 0 DCADMM COc1cnc([C@H]2CCCN2C(=O)Cc2cnc[nH]2)[n-]c1=O ZINC001456847776 1011490645 /nfs/dbraw/zinc/49/06/45/1011490645.db2.gz LUOUGVDYKUONHY-SNVBAGLBSA-N -1 1 303.322 0.820 20 0 DCADMM CC[C@@H](C[C@@H](C)CO)NS(=O)(=O)c1cc(C(=O)OC)n[n-]1 ZINC001423767903 1011514150 /nfs/dbraw/zinc/51/41/50/1011514150.db2.gz IVQOVZVAPIKDBV-BDAKNGLRSA-N -1 1 319.383 0.272 20 0 DCADMM CC[C@@H](C[C@@H](C)CO)NS(=O)(=O)c1cc(C(=O)OC)[n-]n1 ZINC001423767903 1011514163 /nfs/dbraw/zinc/51/41/63/1011514163.db2.gz IVQOVZVAPIKDBV-BDAKNGLRSA-N -1 1 319.383 0.272 20 0 DCADMM CCOC(=O)CC[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC001423770809 1011518484 /nfs/dbraw/zinc/51/84/84/1011518484.db2.gz FGLUEDUREVXIQX-UHFFFAOYSA-N -1 1 300.402 0.282 20 0 DCADMM CCN(CCN[C@H](C)c1nncn1C)C(=O)c1ncccc1[O-] ZINC001445306979 1011635244 /nfs/dbraw/zinc/63/52/44/1011635244.db2.gz IIYQKMFNZQARNS-LLVKDONJSA-N -1 1 318.381 0.729 20 0 DCADMM Cc1nnnn1-c1ccc(C(=O)Nc2ccncc2[O-])c(F)c1 ZINC001457614195 1011774623 /nfs/dbraw/zinc/77/46/23/1011774623.db2.gz ICXPBFNFRNSCJR-UHFFFAOYSA-N -1 1 314.280 0.885 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1coc(CC2CC2)n1 ZINC001445475773 1011803329 /nfs/dbraw/zinc/80/33/29/1011803329.db2.gz LAUCNKILUPEQRV-MRVPVSSYSA-N -1 1 320.353 0.359 20 0 DCADMM O=C(COCC1CC1)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001432000429 1011832323 /nfs/dbraw/zinc/83/23/23/1011832323.db2.gz CRPZZAGBKZEJDS-LBPRGKRZSA-N -1 1 319.361 0.545 20 0 DCADMM COc1nscc1S(=O)(=O)[N-]CCC1(O)CCOCC1 ZINC001424030191 1011881346 /nfs/dbraw/zinc/88/13/46/1011881346.db2.gz AONQPYVIZGXUPW-UHFFFAOYSA-N -1 1 322.408 0.362 20 0 DCADMM O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1c[n-][nH]c1=O ZINC001457829653 1011893104 /nfs/dbraw/zinc/89/31/04/1011893104.db2.gz JRMDBXNKTFZNRZ-UHFFFAOYSA-N -1 1 307.310 0.309 20 0 DCADMM Cc1nonc1C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001424123343 1012039549 /nfs/dbraw/zinc/03/95/49/1012039549.db2.gz KHJBWRPHXKEVTL-QMMMGPOBSA-N -1 1 319.321 0.369 20 0 DCADMM COc1cc(S(=O)(=O)[N-]C[C@]2(C)CCC(=O)N2)sn1 ZINC001424186532 1012120719 /nfs/dbraw/zinc/12/07/19/1012120719.db2.gz LHNKOWBCACTVCZ-JTQLQIEISA-N -1 1 305.381 0.099 20 0 DCADMM CC(C)(O)[C@@H](O)C(=O)Nc1nc(Br)ccc1[O-] ZINC001556250675 1012193757 /nfs/dbraw/zinc/19/37/57/1012193757.db2.gz BVNSKMUMIKSVMC-ZETCQYMHSA-N -1 1 305.128 0.620 20 0 DCADMM 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ZINC000826483385 608147793 /nfs/dbraw/zinc/14/77/93/608147793.db2.gz LRTMUEXDLGBURZ-VIFPVBQESA-N -1 1 301.310 0.293 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H](O)c1cccnc1 ZINC000826451239 608204987 /nfs/dbraw/zinc/20/49/87/608204987.db2.gz WZBDVLXUNANYRL-GFCCVEGCSA-N -1 1 312.289 0.639 20 0 DCADMM CN1C[C@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)CC1=O ZINC000826016878 608275639 /nfs/dbraw/zinc/27/56/39/608275639.db2.gz HLXITXUZGJZTAD-SSDOTTSWSA-N -1 1 307.335 0.563 20 0 DCADMM CN1C[C@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)CC1=O ZINC000826016878 608275640 /nfs/dbraw/zinc/27/56/40/608275640.db2.gz HLXITXUZGJZTAD-SSDOTTSWSA-N -1 1 307.335 0.563 20 0 DCADMM c1ccc2c(c1)OC[C@H](CNc1ccc(-c3nnn[n-]3)nn1)O2 ZINC000826524363 608390543 /nfs/dbraw/zinc/39/05/43/608390543.db2.gz SCFLZNWJTBIDTH-VIFPVBQESA-N -1 1 311.305 0.909 20 0 DCADMM c1ccc2c(c1)OC[C@H](CNc1ccc(-c3nn[n-]n3)nn1)O2 ZINC000826524363 608390545 /nfs/dbraw/zinc/39/05/45/608390545.db2.gz SCFLZNWJTBIDTH-VIFPVBQESA-N -1 1 311.305 0.909 20 0 DCADMM CCc1nc2n(n1)CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825749744 608430160 /nfs/dbraw/zinc/43/01/60/608430160.db2.gz HDHVBKCCRHQIBL-VIFPVBQESA-N -1 1 312.341 0.758 20 0 DCADMM CCc1nc2n(n1)CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825749744 608430161 /nfs/dbraw/zinc/43/01/61/608430161.db2.gz HDHVBKCCRHQIBL-VIFPVBQESA-N -1 1 312.341 0.758 20 0 DCADMM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1n1ccnc1 ZINC000824961945 608431374 /nfs/dbraw/zinc/43/13/74/608431374.db2.gz LMAXKNLGNDBPMQ-JQWIXIFHSA-N -1 1 311.353 0.941 20 0 DCADMM NC(=O)[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826388919 608437643 /nfs/dbraw/zinc/43/76/43/608437643.db2.gz MDWLKGHHHNYVOW-LLVKDONJSA-N -1 1 310.321 0.165 20 0 DCADMM NC(=O)[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826388919 608437644 /nfs/dbraw/zinc/43/76/44/608437644.db2.gz MDWLKGHHHNYVOW-LLVKDONJSA-N -1 1 310.321 0.165 20 0 DCADMM NC(=O)CCC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826390485 608445322 /nfs/dbraw/zinc/44/53/22/608445322.db2.gz BLNAFXWGXBTTOG-UHFFFAOYSA-N -1 1 301.354 0.744 20 0 DCADMM NC(=O)CCC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826390485 608445323 /nfs/dbraw/zinc/44/53/23/608445323.db2.gz BLNAFXWGXBTTOG-UHFFFAOYSA-N -1 1 301.354 0.744 20 0 DCADMM CCN1CCOC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825465763 608455063 /nfs/dbraw/zinc/45/50/63/608455063.db2.gz QLJWUCWZONXZSX-LBPRGKRZSA-N -1 1 318.337 0.026 20 0 DCADMM CCN1CCOC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825465759 608454985 /nfs/dbraw/zinc/45/49/85/608454985.db2.gz QLJWUCWZONXZSX-GFCCVEGCSA-N -1 1 318.337 0.026 20 0 DCADMM CCN1CCOC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825465759 608454986 /nfs/dbraw/zinc/45/49/86/608454986.db2.gz QLJWUCWZONXZSX-GFCCVEGCSA-N -1 1 318.337 0.026 20 0 DCADMM CCN1CCOC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825465763 608455064 /nfs/dbraw/zinc/45/50/64/608455064.db2.gz QLJWUCWZONXZSX-LBPRGKRZSA-N -1 1 318.337 0.026 20 0 DCADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824051683 608700926 /nfs/dbraw/zinc/70/09/26/608700926.db2.gz BYALIGKLPGRKNU-IUCAKERBSA-N -1 1 313.383 0.713 20 0 DCADMM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824051683 608700929 /nfs/dbraw/zinc/70/09/29/608700929.db2.gz BYALIGKLPGRKNU-IUCAKERBSA-N -1 1 313.383 0.713 20 0 DCADMM c1cc(-c2nnn[n-]2)oc1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000826515239 608837812 /nfs/dbraw/zinc/83/78/12/608837812.db2.gz ROAUXXCJAIFDFN-AAEUAGOBSA-N -1 1 305.338 0.840 20 0 DCADMM c1cc(-c2nn[n-]n2)oc1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000826515239 608837813 /nfs/dbraw/zinc/83/78/13/608837813.db2.gz ROAUXXCJAIFDFN-AAEUAGOBSA-N -1 1 305.338 0.840 20 0 DCADMM Cc1nnc(Oc2cncc(C(N)=O)c2)c(-c2nn[n-]n2)c1C ZINC000826336518 609428733 /nfs/dbraw/zinc/42/87/33/609428733.db2.gz BKGMOYROTZPMQG-UHFFFAOYSA-N -1 1 312.293 0.560 20 0 DCADMM C[C@H]1CC[C@@]2(CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)C1 ZINC000824919074 609433766 /nfs/dbraw/zinc/43/37/66/609433766.db2.gz RRCYOARKGNQTHD-IINYFYTJSA-N -1 1 316.369 0.497 20 0 DCADMM Cc1onc(CC(=O)N2CCCC[C@H]2[C@@H](C)O)c1-c1nnn[n-]1 ZINC000826344337 609470742 /nfs/dbraw/zinc/47/07/42/609470742.db2.gz FADGXMQRXSAVSI-KCJUWKMLSA-N -1 1 320.353 0.468 20 0 DCADMM Cc1onc(CC(=O)N2CCCC[C@H]2[C@@H](C)O)c1-c1nn[n-]n1 ZINC000826344337 609470744 /nfs/dbraw/zinc/47/07/44/609470744.db2.gz FADGXMQRXSAVSI-KCJUWKMLSA-N -1 1 320.353 0.468 20 0 DCADMM Cc1cc(F)ccc1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826269024 609487227 /nfs/dbraw/zinc/48/72/27/609487227.db2.gz XXZAFDPUNDZIND-UHFFFAOYSA-N -1 1 316.296 0.223 20 0 DCADMM CC[C@H](C[N-]S(=O)(=O)c1ccc(F)nc1F)C(=O)OC ZINC000867448951 667404639 /nfs/dbraw/zinc/40/46/39/667404639.db2.gz NFTZCRUJVBBGRB-SSDOTTSWSA-N -1 1 308.306 0.837 20 0 DCADMM CCS(=O)(=O)C1CCN(c2cc(=O)[n-]c(COC)n2)CC1 ZINC000893532317 660478160 /nfs/dbraw/zinc/47/81/60/660478160.db2.gz TWMKJAWJXLINLC-UHFFFAOYSA-N -1 1 315.395 0.732 20 0 DCADMM CC(=O)NC[C@H]1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000978488671 660545631 /nfs/dbraw/zinc/54/56/31/660545631.db2.gz QJOXNBCRXBVPMF-JGZJWPJOSA-N -1 1 304.350 0.704 20 0 DCADMM O=C(N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)c1cn[nH]c1 ZINC000978742935 660598678 /nfs/dbraw/zinc/59/86/78/660598678.db2.gz PCYOLCCXRJWNQX-JGZJWPJOSA-N -1 1 315.333 0.449 20 0 DCADMM CC(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC000979226256 660692673 /nfs/dbraw/zinc/69/26/73/660692673.db2.gz JKNYAKKXDZYJNO-WHOHXGKFSA-N -1 1 305.382 0.721 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)c2ccoc2)nc1=O ZINC001027755742 660696317 /nfs/dbraw/zinc/69/63/17/660696317.db2.gz SKVOJQGOYKLIBC-LLVKDONJSA-N -1 1 305.338 0.096 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)/C=C/C2CC2)CCO1 ZINC000979255450 660696326 /nfs/dbraw/zinc/69/63/26/660696326.db2.gz MVTJDFJLNNQWGF-KOBKQOIESA-N -1 1 321.381 0.182 20 0 DCADMM COCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C1 ZINC000979601276 660786466 /nfs/dbraw/zinc/78/64/66/660786466.db2.gz CMSFSNRFQJZMDP-SDDRHHMPSA-N -1 1 319.361 0.400 20 0 DCADMM Cn1ncc(CN2CCC[C@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001027843817 660827138 /nfs/dbraw/zinc/82/71/38/660827138.db2.gz IGAIQQGLELDVJM-LBPRGKRZSA-N -1 1 316.365 0.310 20 0 DCADMM Cn1ccnc1CN1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027844758 660829170 /nfs/dbraw/zinc/82/91/70/660829170.db2.gz XEWWAVLSFOYREG-GFCCVEGCSA-N -1 1 315.377 0.915 20 0 DCADMM CCC(C)(CC)C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1 ZINC000980440224 660943823 /nfs/dbraw/zinc/94/38/23/660943823.db2.gz MNAIQHVRXLEQNR-LBPRGKRZSA-N -1 1 323.441 0.967 20 0 DCADMM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000028048697 661180220 /nfs/dbraw/zinc/18/02/20/661180220.db2.gz SAEGWKWAKMDOSG-SNVBAGLBSA-N -1 1 317.411 0.331 20 0 DCADMM O=C(Cc1ccsc1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998442564 665455923 /nfs/dbraw/zinc/45/59/23/665455923.db2.gz YODHPKNAEVXUNX-NSHDSACASA-N -1 1 321.406 0.895 20 0 DCADMM Cc1ccc(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)n1C ZINC000998524596 665473216 /nfs/dbraw/zinc/47/32/16/665473216.db2.gz GSRYGZHDNYUTGD-NSHDSACASA-N -1 1 318.381 0.552 20 0 DCADMM CCn1cncc([N-]S(=O)(=O)c2cc(C)ns2)c1=O ZINC000886417379 667765374 /nfs/dbraw/zinc/76/53/74/667765374.db2.gz RZVRVNCHSGVMCJ-UHFFFAOYSA-N -1 1 300.365 0.829 20 0 DCADMM Cn1cccc1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998564520 665480872 /nfs/dbraw/zinc/48/08/72/665480872.db2.gz UIOXONJCLDBDEB-JTQLQIEISA-N -1 1 304.354 0.243 20 0 DCADMM CCCc1nc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)co1 ZINC000970476764 657556833 /nfs/dbraw/zinc/55/68/33/657556833.db2.gz PCABZGNRVVIXED-SECBINFHSA-N -1 1 320.353 0.455 20 0 DCADMM C[C@@H](NC(=O)[C@H]1CC=CCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969291470 657664986 /nfs/dbraw/zinc/66/49/86/657664986.db2.gz HPHZUIYDKIDYQC-NEPJUHHUSA-N -1 1 319.409 0.401 20 0 DCADMM O=C(Cc1cccc(F)c1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970646500 657735702 /nfs/dbraw/zinc/73/57/02/657735702.db2.gz MOQZDOLSUGBFBF-GFCCVEGCSA-N -1 1 319.340 0.583 20 0 DCADMM C[C@@H](NC(=O)C1CC=CC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969431764 657869711 /nfs/dbraw/zinc/86/97/11/657869711.db2.gz XPFNWMCFHYIULL-SNVBAGLBSA-N -1 1 305.382 0.011 20 0 DCADMM C[C@H](NC(=O)C1CC=CC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969431763 657870011 /nfs/dbraw/zinc/87/00/11/657870011.db2.gz XPFNWMCFHYIULL-JTQLQIEISA-N -1 1 305.382 0.011 20 0 DCADMM C[C@H](NC(=O)C1CC(C)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969476695 657914548 /nfs/dbraw/zinc/91/45/48/657914548.db2.gz PMVOKNBSDNHGLF-YVNMAJEFSA-N -1 1 307.398 0.091 20 0 DCADMM C[C@@H](NC(=O)C1CC(C)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969476694 657914756 /nfs/dbraw/zinc/91/47/56/657914756.db2.gz PMVOKNBSDNHGLF-HSOILSAZSA-N -1 1 307.398 0.091 20 0 DCADMM CC1(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001023492558 657926472 /nfs/dbraw/zinc/92/64/72/657926472.db2.gz VQTBCGAYNWKKPW-ZYHUDNBSSA-N -1 1 319.361 0.279 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2cnns2)C1 ZINC000969543778 657969507 /nfs/dbraw/zinc/96/95/07/657969507.db2.gz QMBWPEMNTSALCT-SECBINFHSA-N -1 1 319.390 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20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574846842 1163769138 /nfs/dbraw/zinc/76/91/38/1163769138.db2.gz ZBBUCNBDNFTWPN-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574846842 1163769142 /nfs/dbraw/zinc/76/91/42/1163769142.db2.gz ZBBUCNBDNFTWPN-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574846796 1163769182 /nfs/dbraw/zinc/76/91/82/1163769182.db2.gz XRABVERPVNUVDD-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM COC[C@H](C)C(=O)NCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001574961118 1163820269 /nfs/dbraw/zinc/82/02/69/1163820269.db2.gz WHRTUEIZSHZRDE-VIFPVBQESA-N -1 1 322.365 0.188 20 0 DCADMM O=C(CCCn1cccn1)NCCNC(=O)c1ncccc1[O-] ZINC001575057571 1163872400 /nfs/dbraw/zinc/87/24/00/1163872400.db2.gz HGRRZBJAFBEHGI-UHFFFAOYSA-N -1 1 317.349 0.310 20 0 DCADMM O=C(CCOCC1CC1)NCCNC(=O)c1ncccc1[O-] ZINC001575059949 1163873015 /nfs/dbraw/zinc/87/30/15/1163873015.db2.gz WPOLAPBAWUZITK-UHFFFAOYSA-N -1 1 307.350 0.450 20 0 DCADMM C[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1ncn(C)n1 ZINC001575301396 1163966204 /nfs/dbraw/zinc/96/62/04/1163966204.db2.gz FFAHBGNHJFFSJA-ZETCQYMHSA-N -1 1 314.313 0.273 20 0 DCADMM C[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1ncn(C)n1 ZINC001575301396 1163966210 /nfs/dbraw/zinc/96/62/10/1163966210.db2.gz FFAHBGNHJFFSJA-ZETCQYMHSA-N -1 1 314.313 0.273 20 0 DCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(=O)NCc1ccccc1 ZINC001575439424 1164013175 /nfs/dbraw/zinc/01/31/75/1164013175.db2.gz TUDIQGIIMZWJFP-JTQLQIEISA-N -1 1 324.348 0.195 20 0 DCADMM C[C@@H](O)[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCO1 ZINC001575475294 1164026374 /nfs/dbraw/zinc/02/63/74/1164026374.db2.gz UXAQLAUCCRWILB-PHDIDXHHSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H](O)[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001575475294 1164026379 /nfs/dbraw/zinc/02/63/79/1164026379.db2.gz UXAQLAUCCRWILB-PHDIDXHHSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@H]1C[C@H](C(=O)NCCCNC(=O)c2ncccc2[O-])CO1 ZINC001575795234 1164154930 /nfs/dbraw/zinc/15/49/30/1164154930.db2.gz YMJPMYJDDHGKOF-QWRGUYRKSA-N -1 1 307.350 0.448 20 0 DCADMM C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001575940122 1164189431 /nfs/dbraw/zinc/18/94/31/1164189431.db2.gz WGINVTUKDPXIEH-CABZTGNLSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001575940122 1164189435 /nfs/dbraw/zinc/18/94/35/1164189435.db2.gz WGINVTUKDPXIEH-CABZTGNLSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576085410 1164235753 /nfs/dbraw/zinc/23/57/53/1164235753.db2.gz NDAOLSUELIVOOU-IMSYWVGJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576085410 1164235757 /nfs/dbraw/zinc/23/57/57/1164235757.db2.gz NDAOLSUELIVOOU-IMSYWVGJSA-N -1 1 314.353 0.372 20 0 DCADMM CCC(=O)N1CC[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576415466 1164333486 /nfs/dbraw/zinc/33/34/86/1164333486.db2.gz UFCOKNFNLBWLQF-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576415466 1164333494 /nfs/dbraw/zinc/33/34/94/1164333494.db2.gz UFCOKNFNLBWLQF-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576415265 1164335120 /nfs/dbraw/zinc/33/51/20/1164335120.db2.gz OFAVZVXOYIYGPJ-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576415265 1164335125 /nfs/dbraw/zinc/33/51/25/1164335125.db2.gz OFAVZVXOYIYGPJ-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001576420736 1164337910 /nfs/dbraw/zinc/33/79/10/1164337910.db2.gz DKDOKCSXNDLMIF-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001576420736 1164337918 /nfs/dbraw/zinc/33/79/18/1164337918.db2.gz DKDOKCSXNDLMIF-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576441331 1164345220 /nfs/dbraw/zinc/34/52/20/1164345220.db2.gz YOBSEKVFVUEFJG-NXEZZACHSA-N -1 1 316.369 0.185 20 0 DCADMM CCC(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001576441132 1164345394 /nfs/dbraw/zinc/34/53/94/1164345394.db2.gz RLJVJVYKGKJDQJ-UHFFFAOYSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001576441132 1164345398 /nfs/dbraw/zinc/34/53/98/1164345398.db2.gz RLJVJVYKGKJDQJ-UHFFFAOYSA-N -1 1 316.369 0.906 20 0 DCADMM CC[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576564919 1164392763 /nfs/dbraw/zinc/39/27/63/1164392763.db2.gz UXFHUSVKEPNIGG-NXEZZACHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576564919 1164392769 /nfs/dbraw/zinc/39/27/69/1164392769.db2.gz UXFHUSVKEPNIGG-NXEZZACHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001576564014 1164392878 /nfs/dbraw/zinc/39/28/78/1164392878.db2.gz PUAVHIAOSSRYAT-SNVBAGLBSA-N -1 1 318.385 0.597 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001576564014 1164392884 /nfs/dbraw/zinc/39/28/84/1164392884.db2.gz PUAVHIAOSSRYAT-SNVBAGLBSA-N -1 1 318.385 0.597 20 0 DCADMM CC/C(C)=C/C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576562819 1164393033 /nfs/dbraw/zinc/39/30/33/1164393033.db2.gz NOMABYKFKNUTRR-JXMROGBWSA-N -1 1 316.369 0.931 20 0 DCADMM CC/C(C)=C/C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576562819 1164393040 /nfs/dbraw/zinc/39/30/40/1164393040.db2.gz NOMABYKFKNUTRR-JXMROGBWSA-N -1 1 316.369 0.931 20 0 DCADMM CC[C@H](C)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576565347 1164393948 /nfs/dbraw/zinc/39/39/48/1164393948.db2.gz BUIJZLHMLPBXIJ-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576565347 1164393953 /nfs/dbraw/zinc/39/39/53/1164393953.db2.gz BUIJZLHMLPBXIJ-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](CC(F)F)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001576708057 1164438738 /nfs/dbraw/zinc/43/87/38/1164438738.db2.gz MAEDVISKXCUDEM-SSDOTTSWSA-N -1 1 314.300 0.256 20 0 DCADMM CCC(CC)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576717608 1164440607 /nfs/dbraw/zinc/44/06/07/1164440607.db2.gz ATEXLMYYVGEVLC-UHFFFAOYSA-N -1 1 318.385 0.385 20 0 DCADMM CC[C@@H](CCO)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001576767329 1164456690 /nfs/dbraw/zinc/45/66/90/1164456690.db2.gz NEIFNECYZVGJJV-VIFPVBQESA-N -1 1 320.353 0.414 20 0 DCADMM CC[C@@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576848127 1164494762 /nfs/dbraw/zinc/49/47/62/1164494762.db2.gz MWGASOHLJBSPIO-GUBZILKMSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576848127 1164494769 /nfs/dbraw/zinc/49/47/69/1164494769.db2.gz MWGASOHLJBSPIO-GUBZILKMSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576928734 1164536387 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CC[C@H](F)C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576956254 1164553807 /nfs/dbraw/zinc/55/38/07/1164553807.db2.gz LRPHGLVRJYWBAN-BDAKNGLRSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576956254 1164553815 /nfs/dbraw/zinc/55/38/15/1164553815.db2.gz LRPHGLVRJYWBAN-BDAKNGLRSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@H](F)C(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576960276 1164560100 /nfs/dbraw/zinc/56/01/00/1164560100.db2.gz WBUZWUNERYSBHI-VIFPVBQESA-N -1 1 322.348 0.266 20 0 DCADMM CC[C@H](F)C(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576960276 1164560104 /nfs/dbraw/zinc/56/01/04/1164560104.db2.gz WBUZWUNERYSBHI-VIFPVBQESA-N -1 1 322.348 0.266 20 0 DCADMM CCCC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001577195445 1164631696 /nfs/dbraw/zinc/63/16/96/1164631696.db2.gz WNMHRWWZPVEFQP-UHFFFAOYSA-N -1 1 316.369 0.282 20 0 DCADMM CCCC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577203145 1164632774 /nfs/dbraw/zinc/63/27/74/1164632774.db2.gz PLJQJFSPARSXKZ-CQSZACIVSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577203145 1164632776 /nfs/dbraw/zinc/63/27/76/1164632776.db2.gz PLJQJFSPARSXKZ-CQSZACIVSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001577213937 1164635685 /nfs/dbraw/zinc/63/56/85/1164635685.db2.gz SXIHZMRQTDSUJH-SECBINFHSA-N -1 1 304.358 0.621 20 0 DCADMM CCCC(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001577213937 1164635695 /nfs/dbraw/zinc/63/56/95/1164635695.db2.gz SXIHZMRQTDSUJH-SECBINFHSA-N -1 1 304.358 0.621 20 0 DCADMM CCCC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001577216741 1164638278 /nfs/dbraw/zinc/63/82/78/1164638278.db2.gz WWIZOLSSUZQYKV-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001577216741 1164638282 /nfs/dbraw/zinc/63/82/82/1164638282.db2.gz WWIZOLSSUZQYKV-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCC[C@@H](C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001577253848 1164652197 /nfs/dbraw/zinc/65/21/97/1164652197.db2.gz GSSMFHCGYSIPRL-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CCC[C@@H](C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001577253848 1164652200 /nfs/dbraw/zinc/65/22/00/1164652200.db2.gz GSSMFHCGYSIPRL-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CCC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)ccn1)c1nn[n-]n1 ZINC001577327055 1164671068 /nfs/dbraw/zinc/67/10/68/1164671068.db2.gz YSZGSZRSVVEJBW-MRVPVSSYSA-N -1 1 314.313 0.046 20 0 DCADMM O=C([N-]OCc1c[nH]nn1)[C@@H]1CSC(c2ccccc2)=N1 ZINC001578015573 1164894902 /nfs/dbraw/zinc/89/49/02/1164894902.db2.gz RKPCNIQNSIGYQF-NSHDSACASA-N -1 1 303.347 0.915 20 0 DCADMM CCN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)CCCF ZINC001578131315 1164930482 /nfs/dbraw/zinc/93/04/82/1164930482.db2.gz HTDSMGFTLOZVKO-UHFFFAOYSA-N -1 1 322.348 0.089 20 0 DCADMM CCN1CCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CC1 ZINC001578221476 1164954822 /nfs/dbraw/zinc/95/48/22/1164954822.db2.gz ZEDSIAZUODAARR-UHFFFAOYSA-N -1 1 317.353 0.053 20 0 DCADMM CCOC(=O)NCCC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001578247350 1164962243 /nfs/dbraw/zinc/96/22/43/1164962243.db2.gz GRQYYECWYPLSQR-UHFFFAOYSA-N -1 1 320.309 0.413 20 0 DCADMM CCOC(=O)N[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)C(C)C ZINC001578247564 1164962276 /nfs/dbraw/zinc/96/22/76/1164962276.db2.gz QCJBVJQQWUVZGZ-QMMMGPOBSA-N -1 1 322.329 0.056 20 0 DCADMM COCCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001578347814 1164979397 /nfs/dbraw/zinc/97/93/97/1164979397.db2.gz MECSAOWSHKZQBZ-NSHDSACASA-N -1 1 307.350 0.545 20 0 DCADMM CCOc1cccc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001578400652 1165000960 /nfs/dbraw/zinc/00/09/60/1165000960.db2.gz UDKVRXOFIYUHQV-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM CCOc1cccc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001578400652 1165000966 /nfs/dbraw/zinc/00/09/66/1165000966.db2.gz UDKVRXOFIYUHQV-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM CCOc1ccccc1NC(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001578403794 1165001697 /nfs/dbraw/zinc/00/16/97/1165001697.db2.gz AJDREVGKTLOAGC-UHFFFAOYSA-N -1 1 314.309 0.496 20 0 DCADMM CCc1nc(NC2CC(CNC(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001578639828 1165073311 /nfs/dbraw/zinc/07/33/11/1165073311.db2.gz KHUFIWMALMKAJA-UHFFFAOYSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(NC2CC(CNC(C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001578639828 1165073316 /nfs/dbraw/zinc/07/33/16/1165073316.db2.gz KHUFIWMALMKAJA-UHFFFAOYSA-N -1 1 316.369 0.546 20 0 DCADMM CN(C(=O)C1CC1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001578847491 1165140233 /nfs/dbraw/zinc/14/02/33/1165140233.db2.gz BNOHPLVHAUXIQP-SNVBAGLBSA-N -1 1 314.353 0.104 20 0 DCADMM CN(C(=O)C1CC1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001578847491 1165140241 /nfs/dbraw/zinc/14/02/41/1165140241.db2.gz BNOHPLVHAUXIQP-SNVBAGLBSA-N -1 1 314.353 0.104 20 0 DCADMM CN(C(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1nn[n-]n1 ZINC001578878817 1165147155 /nfs/dbraw/zinc/14/71/55/1165147155.db2.gz BHSAVTKIBAVFKU-UHFFFAOYSA-N -1 1 317.338 0.135 20 0 DCADMM CN(C)C(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001578955995 1165168841 /nfs/dbraw/zinc/16/88/41/1165168841.db2.gz RYJNTNFAAISGQC-MRVPVSSYSA-N -1 1 320.378 0.479 20 0 DCADMM CN(C)C(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001578955995 1165168845 /nfs/dbraw/zinc/16/88/45/1165168845.db2.gz RYJNTNFAAISGQC-MRVPVSSYSA-N -1 1 320.378 0.479 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)C(C)(C)F ZINC001579217443 1165241151 /nfs/dbraw/zinc/24/11/51/1165241151.db2.gz JDKKHHXFNCUDCM-UHFFFAOYSA-N -1 1 308.321 0.275 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)C(C)(C)F ZINC001579217443 1165241159 /nfs/dbraw/zinc/24/11/59/1165241159.db2.gz JDKKHHXFNCUDCM-UHFFFAOYSA-N -1 1 308.321 0.275 20 0 DCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001579286124 1165259850 /nfs/dbraw/zinc/25/98/50/1165259850.db2.gz CBJXNAVGYUITTF-SNVBAGLBSA-N -1 1 314.353 0.104 20 0 DCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001579286124 1165259857 /nfs/dbraw/zinc/25/98/57/1165259857.db2.gz CBJXNAVGYUITTF-SNVBAGLBSA-N -1 1 314.353 0.104 20 0 DCADMM COC(=O)C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001579451421 1165314156 /nfs/dbraw/zinc/31/41/56/1165314156.db2.gz VNCHSUUOPPXVNX-RKDXNWHRSA-N -1 1 319.321 0.731 20 0 DCADMM COC(=O)C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001579451421 1165314163 /nfs/dbraw/zinc/31/41/63/1165314163.db2.gz VNCHSUUOPPXVNX-RKDXNWHRSA-N -1 1 319.321 0.731 20 0 DCADMM COC(=O)[C@@H](C)NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001579466337 1165318631 /nfs/dbraw/zinc/31/86/31/1165318631.db2.gz OEYDPVWCNQTNGR-SSDOTTSWSA-N -1 1 314.305 0.639 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001579475019 1165324125 /nfs/dbraw/zinc/32/41/25/1165324125.db2.gz MIHZKFGSEYZVJC-XPTSAGLGSA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001579475019 1165324129 /nfs/dbraw/zinc/32/41/29/1165324129.db2.gz MIHZKFGSEYZVJC-XPTSAGLGSA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)c1ccc(NCc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001579485260 1165328450 /nfs/dbraw/zinc/32/84/50/1165328450.db2.gz SCCWPPJUQWELKC-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1ccc(NCc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001579485260 1165328457 /nfs/dbraw/zinc/32/84/57/1165328457.db2.gz SCCWPPJUQWELKC-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM CO[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCOC1 ZINC001579526519 1165338395 /nfs/dbraw/zinc/33/83/95/1165338395.db2.gz PMAQSTYBCZLOGW-GZMMTYOYSA-N -1 1 323.378 0.596 20 0 DCADMM COC1([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)CCOCC1 ZINC001579596731 1165356075 /nfs/dbraw/zinc/35/60/75/1165356075.db2.gz VMCGOJIELOYANC-VIFPVBQESA-N -1 1 321.337 0.774 20 0 DCADMM COC1([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)CCOCC1 ZINC001579596731 1165356083 /nfs/dbraw/zinc/35/60/83/1165356083.db2.gz VMCGOJIELOYANC-VIFPVBQESA-N -1 1 321.337 0.774 20 0 DCADMM CO[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001579618384 1165362271 /nfs/dbraw/zinc/36/22/71/1165362271.db2.gz JRCNHDCAZDMJRU-SNVBAGLBSA-N -1 1 324.366 0.443 20 0 DCADMM COCC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001579643057 1165370356 /nfs/dbraw/zinc/37/03/56/1165370356.db2.gz AKUZUNOQUNRRNA-UHFFFAOYSA-N -1 1 313.115 0.609 20 0 DCADMM COCC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001579643057 1165370359 /nfs/dbraw/zinc/37/03/59/1165370359.db2.gz AKUZUNOQUNRRNA-UHFFFAOYSA-N -1 1 313.115 0.609 20 0 DCADMM COC[C@H]1CCCCN1C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001579747992 1165387790 /nfs/dbraw/zinc/38/77/90/1165387790.db2.gz RPIXFMBSYSBURQ-NXEZZACHSA-N -1 1 320.357 0.047 20 0 DCADMM CO[C@@H]1CCCC[C@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001579848359 1165410514 /nfs/dbraw/zinc/41/05/14/1165410514.db2.gz CAHWRSBXYXLPPX-MWLCHTKSSA-N -1 1 320.353 0.779 20 0 DCADMM CO[C@@H]1CCCC[C@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001579848359 1165410517 /nfs/dbraw/zinc/41/05/17/1165410517.db2.gz CAHWRSBXYXLPPX-MWLCHTKSSA-N -1 1 320.353 0.779 20 0 DCADMM CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001579850253 1165411253 /nfs/dbraw/zinc/41/12/53/1165411253.db2.gz OWBRCHPFRMMOCU-MWLCHTKSSA-N -1 1 324.366 0.108 20 0 DCADMM CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001579850253 1165411257 /nfs/dbraw/zinc/41/12/57/1165411257.db2.gz OWBRCHPFRMMOCU-MWLCHTKSSA-N -1 1 324.366 0.108 20 0 DCADMM CO[C@@H]1C[C@H]1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001579868974 1165416153 /nfs/dbraw/zinc/41/61/53/1165416153.db2.gz SKEQAHJXPHOPEY-PSASIEDQSA-N -1 1 316.321 0.308 20 0 DCADMM COc1c(C(=O)Nc2snc(C)c2-c2nnn[n-]2)cnn1C ZINC001579874717 1165419341 /nfs/dbraw/zinc/41/93/41/1165419341.db2.gz HBPMIMRIOXEYEA-UHFFFAOYSA-N -1 1 320.338 0.626 20 0 DCADMM COc1c(C(=O)Nc2snc(C)c2-c2nn[n-]n2)cnn1C ZINC001579874717 1165419348 /nfs/dbraw/zinc/41/93/48/1165419348.db2.gz HBPMIMRIOXEYEA-UHFFFAOYSA-N -1 1 320.338 0.626 20 0 DCADMM COc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC001579880960 1165421795 /nfs/dbraw/zinc/42/17/95/1165421795.db2.gz GXOPSHFJTVFWCW-UHFFFAOYSA-N -1 1 315.293 0.865 20 0 DCADMM COc1ccc(CCC(=O)Nc2c[nH]nc2-c2nn[n-]n2)cn1 ZINC001579995548 1165465090 /nfs/dbraw/zinc/46/50/90/1165465090.db2.gz KJWHINYAPFLIRV-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ncc(NC(=O)c2cc(CO)on2)cc1-c1nn[n-]n1 ZINC001580138285 1165515794 /nfs/dbraw/zinc/51/57/94/1165515794.db2.gz JKNJVGGNRXUTPH-UHFFFAOYSA-N -1 1 317.265 0.003 20 0 DCADMM C[S@](=O)c1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001580173040 1165528844 /nfs/dbraw/zinc/52/88/44/1165528844.db2.gz WZMASSKBJQVUSY-QFIPXVFZSA-N -1 1 315.362 0.428 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001580188132 1165531999 /nfs/dbraw/zinc/53/19/99/1165531999.db2.gz QTDBYRUKMPITOB-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001580188132 1165532004 /nfs/dbraw/zinc/53/20/04/1165532004.db2.gz QTDBYRUKMPITOB-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001580187545 1165532444 /nfs/dbraw/zinc/53/24/44/1165532444.db2.gz HTFGLDQICXCMSX-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001580187545 1165532451 /nfs/dbraw/zinc/53/24/51/1165532451.db2.gz HTFGLDQICXCMSX-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1(C)CC1 ZINC001580413550 1165596184 /nfs/dbraw/zinc/59/61/84/1165596184.db2.gz NXWNWSKQEZZIET-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1(C)CC1 ZINC001580413550 1165596192 /nfs/dbraw/zinc/59/61/92/1165596192.db2.gz NXWNWSKQEZZIET-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccco1 ZINC001580419511 1165597156 /nfs/dbraw/zinc/59/71/56/1165597156.db2.gz JEHRIKIEXWCBFP-MRVPVSSYSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccco1 ZINC001580419511 1165597164 /nfs/dbraw/zinc/59/71/64/1165597164.db2.gz JEHRIKIEXWCBFP-MRVPVSSYSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCC1CC1 ZINC001580420073 1165597598 /nfs/dbraw/zinc/59/75/98/1165597598.db2.gz VKHNTWXKUBCCTO-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCC1CC1 ZINC001580420073 1165597605 /nfs/dbraw/zinc/59/76/05/1165597605.db2.gz VKHNTWXKUBCCTO-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC1CCC1 ZINC001580417263 1165598371 /nfs/dbraw/zinc/59/83/71/1165598371.db2.gz ZGOZQPLBOWHPDN-SECBINFHSA-N -1 1 316.369 0.185 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc(-c2nn[nH]n2)nc1 ZINC001580461529 1165608980 /nfs/dbraw/zinc/60/89/80/1165608980.db2.gz FFIKVZGIQOPOPD-UHFFFAOYSA-N -1 1 300.282 0.180 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001580461912 1165609333 /nfs/dbraw/zinc/60/93/33/1165609333.db2.gz PANNJICLZDFBDW-UHFFFAOYSA-N -1 1 315.297 0.049 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@@H](CO)C1 ZINC001580596898 1165649760 /nfs/dbraw/zinc/64/97/60/1165649760.db2.gz DZOZXIGITMRUKA-SECBINFHSA-N -1 1 318.337 0.120 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)C[C@@H](O)C1CC1 ZINC001580596177 1165649955 /nfs/dbraw/zinc/64/99/55/1165649955.db2.gz PQJAPVWYOZWIPK-SNVBAGLBSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@@H](C)[C@H]1C ZINC001580600094 1165651129 /nfs/dbraw/zinc/65/11/29/1165651129.db2.gz LWHSDTIQLJQBQL-BDAKNGLRSA-N -1 1 318.337 0.525 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCn2ccnc21 ZINC001580599956 1165651296 /nfs/dbraw/zinc/65/12/96/1165651296.db2.gz IJWHRIUZYVKKNC-UHFFFAOYSA-N -1 1 312.293 0.133 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1=NC[C@H](C)S1 ZINC001580603694 1165653394 /nfs/dbraw/zinc/65/33/94/1165653394.db2.gz WGQZSFOJGCHVKV-LURJTMIESA-N -1 1 319.350 0.497 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)C3CC3)C2)n1 ZINC001580656313 1165677080 /nfs/dbraw/zinc/67/70/80/1165677080.db2.gz MLGRHSWLOVOCBW-JTQLQIEISA-N -1 1 314.353 0.070 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)C3CC3)C2)n1 ZINC001580656313 1165677087 /nfs/dbraw/zinc/67/70/87/1165677087.db2.gz MLGRHSWLOVOCBW-JTQLQIEISA-N -1 1 314.353 0.070 20 0 DCADMM O=C(NCC[C@H]1CNCCS1(=O)=O)c1ccc(F)c([O-])c1 ZINC001580679381 1165684977 /nfs/dbraw/zinc/68/49/77/1165684977.db2.gz IINXZCGTYADMCR-JTQLQIEISA-N -1 1 316.354 0.038 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H](C)NC(=O)C2CC2)n1 ZINC001580686003 1165687357 /nfs/dbraw/zinc/68/73/57/1165687357.db2.gz ZOODXWMRLXNLPD-BDAKNGLRSA-N -1 1 316.369 0.680 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H](C)NC(=O)C2CC2)n1 ZINC001580686003 1165687363 /nfs/dbraw/zinc/68/73/63/1165687363.db2.gz ZOODXWMRLXNLPD-BDAKNGLRSA-N -1 1 316.369 0.680 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)C3CC3)C2)n1 ZINC001580760806 1165712995 /nfs/dbraw/zinc/71/29/95/1165712995.db2.gz UWBPNLIUGQUGCA-MGCOHNPYSA-N -1 1 314.353 0.434 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)C3CC3)C2)n1 ZINC001580760806 1165713000 /nfs/dbraw/zinc/71/30/00/1165713000.db2.gz UWBPNLIUGQUGCA-MGCOHNPYSA-N -1 1 314.353 0.434 20 0 DCADMM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc(C(N)=O)c1 ZINC001580985664 1165771058 /nfs/dbraw/zinc/77/10/58/1165771058.db2.gz RDYGOHCQKAKNBL-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc(C(N)=O)c1 ZINC001580985664 1165771062 /nfs/dbraw/zinc/77/10/62/1165771062.db2.gz RDYGOHCQKAKNBL-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1csc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001581384862 1165820022 /nfs/dbraw/zinc/82/00/22/1165820022.db2.gz TZABKFAMHFWCOR-UHFFFAOYSA-N -1 1 304.339 0.258 20 0 DCADMM Cc1[nH]nc(NC(=O)Cc2c[nH]c3cnccc23)c1-c1nn[n-]n1 ZINC001581402914 1165822362 /nfs/dbraw/zinc/82/23/62/1165822362.db2.gz PRRFGLNZGTWTTC-UHFFFAOYSA-N -1 1 323.320 0.956 20 0 DCADMM Cc1nc([C@@H](C)NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)no1 ZINC001581437632 1165826805 /nfs/dbraw/zinc/82/68/05/1165826805.db2.gz IMAIDRVKAWRBLT-ZCFIWIBFSA-N -1 1 315.297 0.836 20 0 DCADMM Cc1nc([C@@H](C)NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)no1 ZINC001581437632 1165826809 /nfs/dbraw/zinc/82/68/09/1165826809.db2.gz IMAIDRVKAWRBLT-ZCFIWIBFSA-N -1 1 315.297 0.836 20 0 DCADMM Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc(-c3nnn[n-]3)o1)C2 ZINC001581531129 1165840422 /nfs/dbraw/zinc/84/04/22/1165840422.db2.gz VLDJTJQCTZECGJ-UHFFFAOYSA-N -1 1 313.277 0.420 20 0 DCADMM Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc(-c3nn[n-]n3)o1)C2 ZINC001581531129 1165840433 /nfs/dbraw/zinc/84/04/33/1165840433.db2.gz VLDJTJQCTZECGJ-UHFFFAOYSA-N -1 1 313.277 0.420 20 0 DCADMM Cc1nn(C)cc1Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001581603204 1165850526 /nfs/dbraw/zinc/85/05/26/1165850526.db2.gz MKNMCYQHIGICFJ-UHFFFAOYSA-N -1 1 300.326 0.130 20 0 DCADMM Cc1noc(C)c1CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581629393 1165851982 /nfs/dbraw/zinc/85/19/82/1165851982.db2.gz FVPZKHGVWBQLJU-UHFFFAOYSA-N -1 1 313.321 0.725 20 0 DCADMM Cc1noc(C)c1CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581629393 1165851988 /nfs/dbraw/zinc/85/19/88/1165851988.db2.gz FVPZKHGVWBQLJU-UHFFFAOYSA-N -1 1 313.321 0.725 20 0 DCADMM Cc1nsc(NC(=O)[C@H]2CC(=O)N(C)C2)c1-c1nnn[n-]1 ZINC001581683927 1165858652 /nfs/dbraw/zinc/85/86/52/1165858652.db2.gz QIVJXKVHURPCAB-LURJTMIESA-N -1 1 307.339 0.048 20 0 DCADMM Cc1nsc(NC(=O)[C@H]2CC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC001581683927 1165858658 /nfs/dbraw/zinc/85/86/58/1165858658.db2.gz QIVJXKVHURPCAB-LURJTMIESA-N -1 1 307.339 0.048 20 0 DCADMM Cc1onc(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)c1-c1nnn[n-]1 ZINC001581738817 1165862160 /nfs/dbraw/zinc/86/21/60/1165862160.db2.gz CGMDAUGBZHEBKH-WDEREUQCSA-N -1 1 318.337 0.486 20 0 DCADMM Cc1onc(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC001581738817 1165862169 /nfs/dbraw/zinc/86/21/69/1165862169.db2.gz CGMDAUGBZHEBKH-WDEREUQCSA-N -1 1 318.337 0.486 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cnc(=O)[nH]c1 ZINC001581727446 1165862708 /nfs/dbraw/zinc/86/27/08/1165862708.db2.gz XUWJDVHSQNEQEQ-UHFFFAOYSA-N -1 1 315.293 0.236 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cnc(=O)[nH]c1 ZINC001581727446 1165862715 /nfs/dbraw/zinc/86/27/15/1165862715.db2.gz XUWJDVHSQNEQEQ-UHFFFAOYSA-N -1 1 315.293 0.236 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2cncc(F)c2)n1 ZINC001581753420 1165868592 /nfs/dbraw/zinc/86/85/92/1165868592.db2.gz CPRGTCHHVPFIDH-IHWYPQMZSA-N -1 1 314.284 0.786 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2cncc(F)c2)n1 ZINC001581753420 1165868602 /nfs/dbraw/zinc/86/86/02/1165868602.db2.gz CPRGTCHHVPFIDH-IHWYPQMZSA-N -1 1 314.284 0.786 20 0 DCADMM Cn1cc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)nn1 ZINC001581762155 1165869998 /nfs/dbraw/zinc/86/99/98/1165869998.db2.gz LXITYSSENQTSKZ-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM Cn1cc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)nn1 ZINC001581762155 1165870007 /nfs/dbraw/zinc/87/00/07/1165870007.db2.gz LXITYSSENQTSKZ-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM NC(=O)[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccccn1 ZINC001581887363 1165903302 /nfs/dbraw/zinc/90/33/02/1165903302.db2.gz JTZRPVDUUABMCK-SNVBAGLBSA-N -1 1 316.350 0.034 20 0 DCADMM NC(=O)[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccccn1 ZINC001581887363 1165903310 /nfs/dbraw/zinc/90/33/10/1165903310.db2.gz JTZRPVDUUABMCK-SNVBAGLBSA-N -1 1 316.350 0.034 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001581900638 1165907437 /nfs/dbraw/zinc/90/74/37/1165907437.db2.gz OYTUBMPHLLKUHQ-JGVFFNPUSA-N -1 1 316.325 0.037 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001581900638 1165907441 /nfs/dbraw/zinc/90/74/41/1165907441.db2.gz OYTUBMPHLLKUHQ-JGVFFNPUSA-N -1 1 316.325 0.037 20 0 DCADMM NC(=O)c1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001581905376 1165910743 /nfs/dbraw/zinc/91/07/43/1165910743.db2.gz FSEUDTDFBYUORA-UHFFFAOYSA-N -1 1 322.332 0.318 20 0 DCADMM O=C(CCCF)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001582046119 1165943358 /nfs/dbraw/zinc/94/33/58/1165943358.db2.gz VJSKWDTWAWQVKB-SECBINFHSA-N -1 1 320.332 0.101 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H]2CCC[C@@H]21 ZINC001582138007 1165967293 /nfs/dbraw/zinc/96/72/93/1165967293.db2.gz QBJSCQGNMXQIAN-QWHCGFSZSA-N -1 1 314.349 0.584 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H]2CCC[C@@H]21 ZINC001582138007 1165967299 /nfs/dbraw/zinc/96/72/99/1165967299.db2.gz QBJSCQGNMXQIAN-QWHCGFSZSA-N -1 1 314.349 0.584 20 0 DCADMM O=C(Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2)[C@@H]1CCOC1 ZINC001582185143 1165978581 /nfs/dbraw/zinc/97/85/81/1165978581.db2.gz BMAADYJFBMMTJS-SNVBAGLBSA-N -1 1 315.333 0.123 20 0 DCADMM O=C(N[C@H](CO)Cc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001582230418 1165986123 /nfs/dbraw/zinc/98/61/23/1165986123.db2.gz DLQYIHDCUGETSH-LBPRGKRZSA-N -1 1 313.317 0.793 20 0 DCADMM O=C(N[C@H](CO)Cc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001582230418 1165986125 /nfs/dbraw/zinc/98/61/25/1165986125.db2.gz DLQYIHDCUGETSH-LBPRGKRZSA-N -1 1 313.317 0.793 20 0 DCADMM O=C(N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)C1CC1 ZINC001582229839 1165986292 /nfs/dbraw/zinc/98/62/92/1165986292.db2.gz QQVHKOLCJQBEGL-SNVBAGLBSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)C1CC1 ZINC001582229839 1165986298 /nfs/dbraw/zinc/98/62/98/1165986298.db2.gz QQVHKOLCJQBEGL-SNVBAGLBSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCCC1(O)CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001582495308 1166027884 /nfs/dbraw/zinc/02/78/84/1166027884.db2.gz DYAMYKQVUUKSFX-UHFFFAOYSA-N -1 1 323.378 0.590 20 0 DCADMM O=C(NCCCNc1cncc(-c2nnn[n-]2)n1)[C@H]1CC1(F)F ZINC001582507546 1166030054 /nfs/dbraw/zinc/03/00/54/1166030054.db2.gz PUYQPZSQJQKOBH-SSDOTTSWSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCCNc1cncc(-c2nn[n-]n2)n1)[C@H]1CC1(F)F ZINC001582507546 1166030060 /nfs/dbraw/zinc/03/00/60/1166030060.db2.gz PUYQPZSQJQKOBH-SSDOTTSWSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC(O)CC1 ZINC001582548417 1166038665 /nfs/dbraw/zinc/03/86/65/1166038665.db2.gz ATKZEKXHLVFYTK-UHFFFAOYSA-N -1 1 308.367 0.595 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1C[C@@]12CCOC2 ZINC001582548502 1166039372 /nfs/dbraw/zinc/03/93/72/1166039372.db2.gz RZVLWWYRJRDYLA-NOZJJQNGSA-N -1 1 305.363 0.971 20 0 DCADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001582602174 1166052251 /nfs/dbraw/zinc/05/22/51/1166052251.db2.gz VIRHVLUZSQOMFM-AOOOYVTPSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001582602174 1166052259 /nfs/dbraw/zinc/05/22/59/1166052259.db2.gz VIRHVLUZSQOMFM-AOOOYVTPSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cn(C2CCC2)nn1 ZINC001582631926 1166056639 /nfs/dbraw/zinc/05/66/39/1166056639.db2.gz SDKHRBPOGVURFJ-UHFFFAOYSA-N -1 1 300.286 0.159 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cn(C2CCC2)nn1 ZINC001582631926 1166056647 /nfs/dbraw/zinc/05/66/47/1166056647.db2.gz SDKHRBPOGVURFJ-UHFFFAOYSA-N -1 1 300.286 0.159 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001582645177 1166059264 /nfs/dbraw/zinc/05/92/64/1166059264.db2.gz ZUAPAGPCHKCHOZ-UHFFFAOYSA-N -1 1 323.276 0.491 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001582645177 1166059269 /nfs/dbraw/zinc/05/92/69/1166059269.db2.gz ZUAPAGPCHKCHOZ-UHFFFAOYSA-N -1 1 323.276 0.491 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1CCCCNC1=O ZINC001582648081 1166062038 /nfs/dbraw/zinc/06/20/38/1166062038.db2.gz NGCRADZUQOAKCJ-VIFPVBQESA-N -1 1 316.325 0.052 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1CCCCNC1=O ZINC001582648081 1166062047 /nfs/dbraw/zinc/06/20/47/1166062047.db2.gz NGCRADZUQOAKCJ-VIFPVBQESA-N -1 1 316.325 0.052 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001582701645 1166069172 /nfs/dbraw/zinc/06/91/72/1166069172.db2.gz TVYUOGAMPOJTLP-KXUCPTDWSA-N -1 1 303.322 0.693 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001582701645 1166069177 /nfs/dbraw/zinc/06/91/77/1166069177.db2.gz TVYUOGAMPOJTLP-KXUCPTDWSA-N -1 1 303.322 0.693 20 0 DCADMM O=C(c1cccnn1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001582715459 1166070789 /nfs/dbraw/zinc/07/07/89/1166070789.db2.gz DKMXHTDMCSKFHI-UHFFFAOYSA-N -1 1 308.305 0.645 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOC[C@]12CCOC2 ZINC001582744768 1166073994 /nfs/dbraw/zinc/07/39/94/1166073994.db2.gz HFZWYCWHSFFYTH-CYBMUJFWSA-N -1 1 321.362 0.560 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@]2(CNC(=O)C2)C1 ZINC001582759678 1166075814 /nfs/dbraw/zinc/07/58/14/1166075814.db2.gz GJTCUDWUAMYJSB-ZDUSSCGKSA-N -1 1 318.362 0.280 20 0 DCADMM O=S(=O)(NCc1cc[nH]n1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582796477 1166083155 /nfs/dbraw/zinc/08/31/55/1166083155.db2.gz TXIMIKTVFTXRJA-UHFFFAOYSA-N -1 1 323.313 0.207 20 0 DCADMM O=S(=O)(NCc1cc[nH]n1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582796477 1166083162 /nfs/dbraw/zinc/08/31/62/1166083162.db2.gz TXIMIKTVFTXRJA-UHFFFAOYSA-N -1 1 323.313 0.207 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccc(Cl)cn1 ZINC001582805974 1166085510 /nfs/dbraw/zinc/08/55/10/1166085510.db2.gz AYHNPLNWEPAVGT-UHFFFAOYSA-N -1 1 305.685 0.226 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001582806751 1166086692 /nfs/dbraw/zinc/08/66/92/1166086692.db2.gz IPKHVDKPOGFEEJ-WFASDCNBSA-N -1 1 317.349 0.757 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cc(Br)no1 ZINC001582806990 1166088382 /nfs/dbraw/zinc/08/83/82/1166088382.db2.gz YWPYGUZEGKXIQP-UHFFFAOYSA-N -1 1 323.110 0.827 20 0 DCADMM O[C@@H](CNc1ncncc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC001582810006 1166089716 /nfs/dbraw/zinc/08/97/16/1166089716.db2.gz VLGOEJNDKPKLTO-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@@H](O)C1CCCCC1 ZINC001582810950 1166092420 /nfs/dbraw/zinc/09/24/20/1166092420.db2.gz WTCVXGLNNIXEOS-YPMHNXCESA-N -1 1 319.369 0.371 20 0 DCADMM OC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@@H](O)C1CCCCC1 ZINC001582810950 1166092423 /nfs/dbraw/zinc/09/24/23/1166092423.db2.gz WTCVXGLNNIXEOS-YPMHNXCESA-N -1 1 319.369 0.371 20 0 DCADMM OC[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1CO ZINC001582813975 1166092931 /nfs/dbraw/zinc/09/29/31/1166092931.db2.gz MJKQGSGPOBSXEF-WCBMZHEXSA-N -1 1 324.772 0.485 20 0 DCADMM OC[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H]1CO ZINC001582813975 1166092939 /nfs/dbraw/zinc/09/29/39/1166092939.db2.gz MJKQGSGPOBSXEF-WCBMZHEXSA-N -1 1 324.772 0.485 20 0 DCADMM CC/C(C)=C\C(=O)NC[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001582997059 1166164959 /nfs/dbraw/zinc/16/49/59/1166164959.db2.gz XMJUAUCGCBJGQA-ZJRUKIMVSA-N -1 1 307.350 0.350 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NCc2nc(C(N)=O)co2)c1 ZINC001584235867 1166316366 /nfs/dbraw/zinc/31/63/66/1166316366.db2.gz WEBVBJMHKROIPH-UHFFFAOYSA-N -1 1 303.274 0.530 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC001584438997 1166326629 /nfs/dbraw/zinc/32/66/29/1166326629.db2.gz AZDBXQVZQKJEJY-FSPLSTOPSA-N -1 1 306.351 0.807 20 0 DCADMM CCCCOCC(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001584634894 1166346407 /nfs/dbraw/zinc/34/64/07/1166346407.db2.gz BKCVGBNCFAWFPL-GFCCVEGCSA-N -1 1 321.377 0.935 20 0 DCADMM CN(C(=O)CCn1cnc2sccc2c1=O)c1nn[n-]n1 ZINC001586262066 1166489954 /nfs/dbraw/zinc/48/99/54/1166489954.db2.gz DJLUBDUDAFOCPO-UHFFFAOYSA-N -1 1 305.323 0.024 20 0 DCADMM O=C(c1nnc2ccccc2n1)N1CCC(c2nn[n-]n2)CC1 ZINC001587875074 1166513962 /nfs/dbraw/zinc/51/39/62/1166513962.db2.gz MVRZHMSBDVBEHJ-UHFFFAOYSA-N -1 1 310.321 0.558 20 0 DCADMM CC(=O)C[C@H]1COCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588785686 1166588909 /nfs/dbraw/zinc/58/89/09/1166588909.db2.gz HRICQQNXSRFELV-JTQLQIEISA-N -1 1 316.321 0.082 20 0 DCADMM CC(=O)C[C@H]1COCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588785686 1166588917 /nfs/dbraw/zinc/58/89/17/1166588917.db2.gz HRICQQNXSRFELV-JTQLQIEISA-N -1 1 316.321 0.082 20 0 DCADMM CC(=O)N1CCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588818588 1166596615 /nfs/dbraw/zinc/59/66/15/1166596615.db2.gz KJEGBBIXUZPPJR-SNVBAGLBSA-N -1 1 302.342 0.388 20 0 DCADMM CC(=O)N1CCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588818588 1166596620 /nfs/dbraw/zinc/59/66/20/1166596620.db2.gz KJEGBBIXUZPPJR-SNVBAGLBSA-N -1 1 302.342 0.388 20 0 DCADMM CC(=O)N1CCCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001588818964 1166597578 /nfs/dbraw/zinc/59/75/78/1166597578.db2.gz JMVYYGJBRQJXKK-UHFFFAOYSA-N -1 1 301.354 0.629 20 0 DCADMM CC(=O)N1CCCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001588818964 1166597583 /nfs/dbraw/zinc/59/75/83/1166597583.db2.gz JMVYYGJBRQJXKK-UHFFFAOYSA-N -1 1 301.354 0.629 20 0 DCADMM CC(=O)N1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001588824425 1166600931 /nfs/dbraw/zinc/60/09/31/1166600931.db2.gz LWPLJAGQDLIDIW-SNVBAGLBSA-N -1 1 301.354 0.627 20 0 DCADMM CC(=O)N1CCN(c2ccc(C)c(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588824425 1166600939 /nfs/dbraw/zinc/60/09/39/1166600939.db2.gz LWPLJAGQDLIDIW-SNVBAGLBSA-N -1 1 301.354 0.627 20 0 DCADMM CC(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588840247 1166606130 /nfs/dbraw/zinc/60/61/30/1166606130.db2.gz UKOYAYNEDRIWCF-UWVGGRQHSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588840247 1166606133 /nfs/dbraw/zinc/60/61/33/1166606133.db2.gz UKOYAYNEDRIWCF-UWVGGRQHSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)NCCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588861408 1166610314 /nfs/dbraw/zinc/61/03/14/1166610314.db2.gz GYLXBGDZHZIRRX-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NCCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588861408 1166610322 /nfs/dbraw/zinc/61/03/22/1166610322.db2.gz GYLXBGDZHZIRRX-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001588869330 1166614247 /nfs/dbraw/zinc/61/42/47/1166614247.db2.gz OPJYMVLFQZLQPI-NXEZZACHSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001588869330 1166614252 /nfs/dbraw/zinc/61/42/52/1166614252.db2.gz OPJYMVLFQZLQPI-NXEZZACHSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)[C@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001588889168 1166614358 /nfs/dbraw/zinc/61/43/58/1166614358.db2.gz LEECACBYBGKHOQ-GFCCVEGCSA-N -1 1 300.322 0.845 20 0 DCADMM CC(=O)[C@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001588889168 1166614361 /nfs/dbraw/zinc/61/43/61/1166614361.db2.gz LEECACBYBGKHOQ-GFCCVEGCSA-N -1 1 300.322 0.845 20 0 DCADMM C[C@@H](C(=O)N1CC(c2ccccc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588944978 1166621663 /nfs/dbraw/zinc/62/16/63/1166621663.db2.gz HFQRYECLGPEIPM-JTQLQIEISA-N -1 1 324.348 0.645 20 0 DCADMM C[C@@H](C(=O)N1CCCC12CCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001588954547 1166621692 /nfs/dbraw/zinc/62/16/92/1166621692.db2.gz NMKXKPYOWKONBD-VIFPVBQESA-N -1 1 302.342 0.564 20 0 DCADMM C[C@H](C(=O)NC[C@@H]1CCCC1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588983515 1166624935 /nfs/dbraw/zinc/62/49/35/1166624935.db2.gz KZOKGJIUCZTYTA-ZJUUUORDSA-N -1 1 318.385 0.962 20 0 DCADMM C[C@@H](C(=O)NCC1CCC(F)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588984196 1166627537 /nfs/dbraw/zinc/62/75/37/1166627537.db2.gz WKFMOSHBNGDSJF-IDKOKCKLSA-N -1 1 322.348 0.664 20 0 DCADMM C[C@@H](C(=O)Nc1cnc2[nH]ccc2c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589020585 1166628715 /nfs/dbraw/zinc/62/87/15/1166628715.db2.gz JETXXIHNPGAMFP-ZETCQYMHSA-N -1 1 324.308 0.486 20 0 DCADMM C[C@H](C(=O)OCc1ccc(F)cn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589030167 1166630854 /nfs/dbraw/zinc/63/08/54/1166630854.db2.gz LGJGRSXRBGTFDV-SSDOTTSWSA-N -1 1 318.272 0.297 20 0 DCADMM C[C@H](C(=O)OCCCc1cnoc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029437 1166630983 /nfs/dbraw/zinc/63/09/83/1166630983.db2.gz AJGAHKJSRAPXLY-MRVPVSSYSA-N -1 1 318.297 0.183 20 0 DCADMM CC(C)(C)n1ncnc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589265693 1166642010 /nfs/dbraw/zinc/64/20/10/1166642010.db2.gz PAQHOWRLAIDIMR-UHFFFAOYSA-N -1 1 316.325 0.736 20 0 DCADMM CC(C)(C)n1ncnc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589265693 1166642013 /nfs/dbraw/zinc/64/20/13/1166642013.db2.gz PAQHOWRLAIDIMR-UHFFFAOYSA-N -1 1 316.325 0.736 20 0 DCADMM CC(C)(CNc1ccnc(-c2nnn[n-]2)c1)C(=O)N1CCCC1 ZINC001589292694 1166643852 /nfs/dbraw/zinc/64/38/52/1166643852.db2.gz HUNPXRDAMJHTFR-UHFFFAOYSA-N -1 1 315.381 0.744 20 0 DCADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)c1)C(=O)N1CCCC1 ZINC001589292694 1166643860 /nfs/dbraw/zinc/64/38/60/1166643860.db2.gz HUNPXRDAMJHTFR-UHFFFAOYSA-N -1 1 315.381 0.744 20 0 DCADMM CC(C)(O)C(C)(C)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589327115 1166647704 /nfs/dbraw/zinc/64/77/04/1166647704.db2.gz RASCIPBYXDDJSN-UHFFFAOYSA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(O)C(C)(C)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589327115 1166647707 /nfs/dbraw/zinc/64/77/07/1166647707.db2.gz RASCIPBYXDDJSN-UHFFFAOYSA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)=CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589370269 1166651787 /nfs/dbraw/zinc/65/17/87/1166651787.db2.gz UZHOPMHBAZQNMC-SNVBAGLBSA-N -1 1 314.353 0.318 20 0 DCADMM CC(C)=CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589370269 1166651790 /nfs/dbraw/zinc/65/17/90/1166651790.db2.gz UZHOPMHBAZQNMC-SNVBAGLBSA-N -1 1 314.353 0.318 20 0 DCADMM CC(C)[C@H]1C[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)CCO1 ZINC001589498804 1166663323 /nfs/dbraw/zinc/66/33/23/1166663323.db2.gz DJEMVFNRJHYBSF-PSASIEDQSA-N -1 1 305.342 0.980 20 0 DCADMM CC(C)C[C@H](C)OC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589550132 1166665985 /nfs/dbraw/zinc/66/59/85/1166665985.db2.gz AUGAVJPKYWLQBV-VIFPVBQESA-N -1 1 308.346 0.619 20 0 DCADMM CC(C)CCC(=O)NCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589581487 1166666251 /nfs/dbraw/zinc/66/62/51/1166666251.db2.gz CVZDCPTUDKTPQF-UHFFFAOYSA-N -1 1 306.330 0.081 20 0 DCADMM CC(C)CCC(=O)NCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589581487 1166666258 /nfs/dbraw/zinc/66/62/58/1166666258.db2.gz CVZDCPTUDKTPQF-UHFFFAOYSA-N -1 1 306.330 0.081 20 0 DCADMM CC(C)C[C@@H](CO)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589562232 1166667259 /nfs/dbraw/zinc/66/72/59/1166667259.db2.gz FYNXIYSOIWVFNW-VIFPVBQESA-N -1 1 322.373 0.471 20 0 DCADMM CC(C)C[C@@H](CO)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589562232 1166667263 /nfs/dbraw/zinc/66/72/63/1166667263.db2.gz FYNXIYSOIWVFNW-VIFPVBQESA-N -1 1 322.373 0.471 20 0 DCADMM CC(C)OC(=O)CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589733448 1166679092 /nfs/dbraw/zinc/67/90/92/1166679092.db2.gz SJWBWMLTPDZPHJ-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM CC(C)OC(=O)CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589733448 1166679095 /nfs/dbraw/zinc/67/90/95/1166679095.db2.gz SJWBWMLTPDZPHJ-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM CC(C)OC1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589739018 1166681288 /nfs/dbraw/zinc/68/12/88/1166681288.db2.gz CUBXUGJGPHJWSK-UHFFFAOYSA-N -1 1 324.366 0.060 20 0 DCADMM CC(C)OC1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589739018 1166681291 /nfs/dbraw/zinc/68/12/91/1166681291.db2.gz CUBXUGJGPHJWSK-UHFFFAOYSA-N -1 1 324.366 0.060 20 0 DCADMM C[C@H](CN1CCOCC1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589847654 1166698607 /nfs/dbraw/zinc/69/86/07/1166698607.db2.gz JRGPKJUWHKWTEN-SECBINFHSA-N -1 1 322.394 0.379 20 0 DCADMM C[C@H](CN1CCOCC1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589847654 1166698611 /nfs/dbraw/zinc/69/86/11/1166698611.db2.gz JRGPKJUWHKWTEN-SECBINFHSA-N -1 1 322.394 0.379 20 0 DCADMM C[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589858832 1166699723 /nfs/dbraw/zinc/69/97/23/1166699723.db2.gz UMDHORPZRIDPIJ-JTQLQIEISA-N -1 1 312.337 0.378 20 0 DCADMM C[C@@H](CNC(=O)C1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589853165 1166699834 /nfs/dbraw/zinc/69/98/34/1166699834.db2.gz OMYCAEPRLMTZFM-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNC(=O)C1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589853165 1166699842 /nfs/dbraw/zinc/69/98/42/1166699842.db2.gz OMYCAEPRLMTZFM-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C1CC1 ZINC001589916652 1166717963 /nfs/dbraw/zinc/71/79/63/1166717963.db2.gz AJXOQCIZTACSOE-SFYZADRCSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1CC1 ZINC001589916652 1166717973 /nfs/dbraw/zinc/71/79/73/1166717973.db2.gz AJXOQCIZTACSOE-SFYZADRCSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001589925281 1166721021 /nfs/dbraw/zinc/72/10/21/1166721021.db2.gz DPZDYXHGCILGLZ-SSDOTTSWSA-N -1 1 304.339 0.397 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cncs1 ZINC001589938792 1166726520 /nfs/dbraw/zinc/72/65/20/1166726520.db2.gz NBZCWDCUVLFBBC-LURJTMIESA-N -1 1 319.354 0.939 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cncs1 ZINC001589938792 1166726529 /nfs/dbraw/zinc/72/65/29/1166726529.db2.gz NBZCWDCUVLFBBC-LURJTMIESA-N -1 1 319.354 0.939 20 0 DCADMM C[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)NCCF ZINC001589945820 1166727716 /nfs/dbraw/zinc/72/77/16/1166727716.db2.gz CGVPNONERLXGHM-ZETCQYMHSA-N -1 1 324.291 0.210 20 0 DCADMM C[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)NCCF ZINC001589945820 1166727722 /nfs/dbraw/zinc/72/77/22/1166727722.db2.gz CGVPNONERLXGHM-ZETCQYMHSA-N -1 1 324.291 0.210 20 0 DCADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)[C@@H](O)C(F)(F)F ZINC001589972560 1166733565 /nfs/dbraw/zinc/73/35/65/1166733565.db2.gz JIBXIWAKOJRXMB-CLZZGJSISA-N -1 1 308.289 0.725 20 0 DCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(=O)Nc1ccccc1 ZINC001589985236 1166734251 /nfs/dbraw/zinc/73/42/51/1166734251.db2.gz GBQPBDPUKQBBQH-VIFPVBQESA-N -1 1 310.321 0.518 20 0 DCADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1nnc2ccccn21 ZINC001589980710 1166735656 /nfs/dbraw/zinc/73/56/56/1166735656.db2.gz PLJNRJZSXAIZJN-MRVPVSSYSA-N -1 1 308.309 0.873 20 0 DCADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1nnc2ccccn21 ZINC001589980710 1166735660 /nfs/dbraw/zinc/73/56/60/1166735660.db2.gz PLJNRJZSXAIZJN-MRVPVSSYSA-N -1 1 308.309 0.873 20 0 DCADMM C[C@](O)(CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589990805 1166737700 /nfs/dbraw/zinc/73/77/00/1166737700.db2.gz NODVVPIKONEGCQ-AWEZNQCLSA-N -1 1 302.338 0.429 20 0 DCADMM C[C@](O)(CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589990805 1166737708 /nfs/dbraw/zinc/73/77/08/1166737708.db2.gz NODVVPIKONEGCQ-AWEZNQCLSA-N -1 1 302.338 0.429 20 0 DCADMM C[C@@](O)(CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589990809 1166738885 /nfs/dbraw/zinc/73/88/85/1166738885.db2.gz NODVVPIKONEGCQ-CQSZACIVSA-N -1 1 302.338 0.429 20 0 DCADMM C[C@@](O)(CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589990809 1166738891 /nfs/dbraw/zinc/73/88/91/1166738891.db2.gz NODVVPIKONEGCQ-CQSZACIVSA-N -1 1 302.338 0.429 20 0 DCADMM C[C@@H](O)CCN(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589998573 1166744993 /nfs/dbraw/zinc/74/49/93/1166744993.db2.gz JKXWMRPUTQXVJI-MRVPVSSYSA-N -1 1 310.383 0.841 20 0 DCADMM C[C@]1(C(N)=O)CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590072525 1166766224 /nfs/dbraw/zinc/76/62/24/1166766224.db2.gz JAPVHDNRODVLLF-AWEZNQCLSA-N -1 1 314.353 0.236 20 0 DCADMM C[C@]1(C(N)=O)CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590072525 1166766228 /nfs/dbraw/zinc/76/62/28/1166766228.db2.gz JAPVHDNRODVLLF-AWEZNQCLSA-N -1 1 314.353 0.236 20 0 DCADMM CC1(C)C[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001590082478 1166768036 /nfs/dbraw/zinc/76/80/36/1166768036.db2.gz FLBTVZOPRFZVRC-SECBINFHSA-N -1 1 302.338 0.949 20 0 DCADMM CC1(C)C[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001590082478 1166768044 /nfs/dbraw/zinc/76/80/44/1166768044.db2.gz FLBTVZOPRFZVRC-SECBINFHSA-N -1 1 302.338 0.949 20 0 DCADMM CC1(C)CC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590093472 1166770665 /nfs/dbraw/zinc/77/06/65/1166770665.db2.gz RKFIWKRWDVAJHV-SNVBAGLBSA-N -1 1 308.367 0.729 20 0 DCADMM CC1(C)CC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590093472 1166770669 /nfs/dbraw/zinc/77/06/69/1166770669.db2.gz RKFIWKRWDVAJHV-SNVBAGLBSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@@H]1[C@@H](C)N(C(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](C)C(=O)N1C ZINC001590166726 1166794805 /nfs/dbraw/zinc/79/48/05/1166794805.db2.gz GVYQKXNINPFFNG-HLTSFMKQSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1[C@@H](C)N(C(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](C)C(=O)N1C ZINC001590166726 1166794810 /nfs/dbraw/zinc/79/48/10/1166794810.db2.gz GVYQKXNINPFFNG-HLTSFMKQSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590169854 1166798640 /nfs/dbraw/zinc/79/86/40/1166798640.db2.gz ZIWKOABAWLPNBA-SMPFOWEGSA-N -1 1 312.424 0.665 20 0 DCADMM C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590169854 1166798646 /nfs/dbraw/zinc/79/86/46/1166798646.db2.gz ZIWKOABAWLPNBA-SMPFOWEGSA-N -1 1 312.424 0.665 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CS1 ZINC001590200955 1166810746 /nfs/dbraw/zinc/81/07/46/1166810746.db2.gz SSTUVXVZMZLMOL-NKWVEPMBSA-N -1 1 308.371 0.616 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CS1 ZINC001590200955 1166810749 /nfs/dbraw/zinc/81/07/49/1166810749.db2.gz SSTUVXVZMZLMOL-NKWVEPMBSA-N -1 1 308.371 0.616 20 0 DCADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)C1CC1 ZINC001590207891 1166815037 /nfs/dbraw/zinc/81/50/37/1166815037.db2.gz BQNQNPXOVXKUFO-PSASIEDQSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)C1CC1 ZINC001590207891 1166815045 /nfs/dbraw/zinc/81/50/45/1166815045.db2.gz BQNQNPXOVXKUFO-PSASIEDQSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590214803 1166815713 /nfs/dbraw/zinc/81/57/13/1166815713.db2.gz CUNXKIWSFIMLOU-HLKOZVMDSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590214803 1166815718 /nfs/dbraw/zinc/81/57/18/1166815718.db2.gz CUNXKIWSFIMLOU-HLKOZVMDSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCS1(=O)=O ZINC001590211073 1166815837 /nfs/dbraw/zinc/81/58/37/1166815837.db2.gz HOWPQGSIRVLBRK-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCS1(=O)=O ZINC001590211073 1166815843 /nfs/dbraw/zinc/81/58/43/1166815843.db2.gz HOWPQGSIRVLBRK-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1C[C@@H](O)CN1C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001590212749 1166816106 /nfs/dbraw/zinc/81/61/06/1166816106.db2.gz WGTZIEKSJMQAMT-DTWKUNHWSA-N -1 1 312.333 0.943 20 0 DCADMM C[C@@H]1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC[S@@]1=O ZINC001590273191 1166834871 /nfs/dbraw/zinc/83/48/71/1166834871.db2.gz WLMDUTIFBLPGTP-UZJPJQLHSA-N -1 1 306.395 0.605 20 0 DCADMM C[C@@H]1CCSCCN1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001590277106 1166837821 /nfs/dbraw/zinc/83/78/21/1166837821.db2.gz GMPXBOQXVXBBPZ-SNVBAGLBSA-N -1 1 306.395 0.813 20 0 DCADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@]1(C)CO ZINC001590294030 1166841940 /nfs/dbraw/zinc/84/19/40/1166841940.db2.gz JWPPUFKCSQXUNO-SDBXPKJASA-N -1 1 320.357 0.082 20 0 DCADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@]1(C)CO ZINC001590294030 1166841941 /nfs/dbraw/zinc/84/19/41/1166841941.db2.gz JWPPUFKCSQXUNO-SDBXPKJASA-N -1 1 320.357 0.082 20 0 DCADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H](CO)O1 ZINC001590320714 1166862077 /nfs/dbraw/zinc/86/20/77/1166862077.db2.gz RCNCLRRKAUGLPF-PHDIDXHHSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H](CO)O1 ZINC001590320714 1166862084 /nfs/dbraw/zinc/86/20/84/1166862084.db2.gz RCNCLRRKAUGLPF-PHDIDXHHSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1CO[C@H](C(F)(F)F)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590321276 1166862828 /nfs/dbraw/zinc/86/28/28/1166862828.db2.gz CFJAZUNLNHHNKY-SVRRBLITSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CO[C@H](C(F)(F)F)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590321276 1166862836 /nfs/dbraw/zinc/86/28/36/1166862836.db2.gz CFJAZUNLNHHNKY-SVRRBLITSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590331643 1166867519 /nfs/dbraw/zinc/86/75/19/1166867519.db2.gz PLQWMSSCPULAAP-ZJUUUORDSA-N -1 1 324.348 0.997 20 0 DCADMM C[C@@H]1COCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590325885 1166868580 /nfs/dbraw/zinc/86/85/80/1166868580.db2.gz VLBKPGKCSYQGRY-APPZFPTMSA-N -1 1 306.330 0.147 20 0 DCADMM C[C@@H]1COCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590325885 1166868584 /nfs/dbraw/zinc/86/85/84/1166868584.db2.gz VLBKPGKCSYQGRY-APPZFPTMSA-N -1 1 306.330 0.147 20 0 DCADMM C[C@H]1c2nncn2CCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590344867 1166876975 /nfs/dbraw/zinc/87/69/75/1166876975.db2.gz WDVFSWUXIOUJIF-QMMMGPOBSA-N -1 1 324.352 0.707 20 0 DCADMM C[C@H]1c2nncn2CCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590344867 1166876982 /nfs/dbraw/zinc/87/69/82/1166876982.db2.gz WDVFSWUXIOUJIF-QMMMGPOBSA-N -1 1 324.352 0.707 20 0 DCADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590340255 1166877376 /nfs/dbraw/zinc/87/73/76/1166877376.db2.gz ZWZKVRYZRACINR-JXVAYASWSA-N -1 1 302.338 0.803 20 0 DCADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590340255 1166877380 /nfs/dbraw/zinc/87/73/80/1166877380.db2.gz ZWZKVRYZRACINR-JXVAYASWSA-N -1 1 302.338 0.803 20 0 DCADMM C/C=C(\C)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590345027 1166878933 /nfs/dbraw/zinc/87/89/33/1166878933.db2.gz HBZMPYRXAHPIEE-LLGDCAAFSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(\C)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590345027 1166878935 /nfs/dbraw/zinc/87/89/35/1166878935.db2.gz HBZMPYRXAHPIEE-LLGDCAAFSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(/C)C(=O)NCCN(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001590350098 1166879152 /nfs/dbraw/zinc/87/91/52/1166879152.db2.gz OAZJTJNYFPLKNR-WMZJFQQLSA-N -1 1 316.369 0.565 20 0 DCADMM C/C=C(/C)C(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590346602 1166879732 /nfs/dbraw/zinc/87/97/32/1166879732.db2.gz BCQKOSAKJSJMLQ-FGRQDEOASA-N -1 1 316.369 0.350 20 0 DCADMM C/C=C\C[C@H](CO)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590355368 1166881504 /nfs/dbraw/zinc/88/15/04/1166881504.db2.gz ZGGXJULKWQZHEO-PKRMOACSSA-N -1 1 303.326 0.710 20 0 DCADMM C/C=C\C[C@H](CO)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590355368 1166881509 /nfs/dbraw/zinc/88/15/09/1166881509.db2.gz ZGGXJULKWQZHEO-PKRMOACSSA-N -1 1 303.326 0.710 20 0 DCADMM CCC(=O)NCCCN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001590366577 1166890438 /nfs/dbraw/zinc/89/04/38/1166890438.db2.gz YTAQDQKJXWRIII-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCC(=O)NCCCN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001590366577 1166890441 /nfs/dbraw/zinc/89/04/41/1166890441.db2.gz YTAQDQKJXWRIII-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CC[C@@](C)(NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC001590381872 1166895076 /nfs/dbraw/zinc/89/50/76/1166895076.db2.gz JLCCMHASWNNQIL-AMIZOPFISA-N -1 1 304.358 0.714 20 0 DCADMM CC[C@H](C)C(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590393597 1166898420 /nfs/dbraw/zinc/89/84/20/1166898420.db2.gz FXFFBMOYSKSGII-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)C(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590393597 1166898425 /nfs/dbraw/zinc/89/84/25/1166898425.db2.gz FXFFBMOYSKSGII-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)CC(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001590404485 1166899430 /nfs/dbraw/zinc/89/94/30/1166899430.db2.gz QEJRTVNYIBJAQE-VIFPVBQESA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](C)CC(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001590404485 1166899441 /nfs/dbraw/zinc/89/94/41/1166899441.db2.gz QEJRTVNYIBJAQE-VIFPVBQESA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](C)C[C@@H](CO)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590406717 1166901260 /nfs/dbraw/zinc/90/12/60/1166901260.db2.gz RDIBLILCDBFELI-JQWIXIFHSA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@H](C)C[C@@H](CO)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590406717 1166901267 /nfs/dbraw/zinc/90/12/67/1166901267.db2.gz RDIBLILCDBFELI-JQWIXIFHSA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@H](CCO)NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590440191 1166904496 /nfs/dbraw/zinc/90/44/96/1166904496.db2.gz XBZXVMGHLJYHCH-SSDOTTSWSA-N -1 1 311.371 0.914 20 0 DCADMM CC[C@H](CCO)NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590440191 1166904499 /nfs/dbraw/zinc/90/44/99/1166904499.db2.gz XBZXVMGHLJYHCH-SSDOTTSWSA-N -1 1 311.371 0.914 20 0 DCADMM CC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ncc[nH]1 ZINC001590454282 1166911107 /nfs/dbraw/zinc/91/11/07/1166911107.db2.gz JQZNHMRPVKMOKU-MRVPVSSYSA-N -1 1 316.325 0.696 20 0 DCADMM CC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ncc[nH]1 ZINC001590454282 1166911112 /nfs/dbraw/zinc/91/11/12/1166911112.db2.gz JQZNHMRPVKMOKU-MRVPVSSYSA-N -1 1 316.325 0.696 20 0 DCADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(OC)OC ZINC001590454957 1166913508 /nfs/dbraw/zinc/91/35/08/1166913508.db2.gz 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XUBLCKUZRYJMSH-QMMMGPOBSA-N -1 1 314.353 0.394 20 0 DCADMM CCc1nc(NCCCO[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001590919075 1167052181 /nfs/dbraw/zinc/05/21/81/1167052181.db2.gz MDKZMGAGACRLPT-SNVBAGLBSA-N -1 1 319.369 0.827 20 0 DCADMM CCc1nc(NCCCO[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001590919075 1167052184 /nfs/dbraw/zinc/05/21/84/1167052184.db2.gz MDKZMGAGACRLPT-SNVBAGLBSA-N -1 1 319.369 0.827 20 0 DCADMM CCc1nnc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)o1 ZINC001590931083 1167052979 /nfs/dbraw/zinc/05/29/79/1167052979.db2.gz VIXALMHLSDSQHR-UHFFFAOYSA-N -1 1 302.298 0.034 20 0 DCADMM CCc1nn(C)cc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590928782 1167054291 /nfs/dbraw/zinc/05/42/91/1167054291.db2.gz NCTBALWOVZWLHZ-UHFFFAOYSA-N -1 1 312.337 0.488 20 0 DCADMM CCc1nn(C)cc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590928782 1167054297 /nfs/dbraw/zinc/05/42/97/1167054297.db2.gz NCTBALWOVZWLHZ-UHFFFAOYSA-N -1 1 312.337 0.488 20 0 DCADMM CCn1nc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)ccc1=O ZINC001590963383 1167061059 /nfs/dbraw/zinc/06/10/59/1167061059.db2.gz GNXVZKRWILNGLX-UHFFFAOYSA-N -1 1 312.293 0.091 20 0 DCADMM CCn1nc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)ccc1=O ZINC001590963383 1167061061 /nfs/dbraw/zinc/06/10/61/1167061061.db2.gz GNXVZKRWILNGLX-UHFFFAOYSA-N -1 1 312.293 0.091 20 0 DCADMM CCn1ncc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)n1 ZINC001590968222 1167062085 /nfs/dbraw/zinc/06/20/85/1167062085.db2.gz DFOKBSSVDQLBBT-UHFFFAOYSA-N -1 1 322.332 0.841 20 0 DCADMM CCn1nc(C(C)C)cc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590964112 1167062399 /nfs/dbraw/zinc/06/23/99/1167062399.db2.gz VIOWUBUOWBQDEC-UHFFFAOYSA-N -1 1 315.341 0.674 20 0 DCADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCCNC1=O ZINC001590995084 1167068651 /nfs/dbraw/zinc/06/86/51/1167068651.db2.gz PTYIEWJLQIZVGQ-LLVKDONJSA-N -1 1 315.337 0.002 20 0 DCADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCCNC1=O ZINC001590995084 1167068655 /nfs/dbraw/zinc/06/86/55/1167068655.db2.gz PTYIEWJLQIZVGQ-LLVKDONJSA-N -1 1 315.337 0.002 20 0 DCADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCC[C@H]1O ZINC001590994593 1167069445 /nfs/dbraw/zinc/06/94/45/1167069445.db2.gz AVAUBTVDCIQFRJ-VXGBXAGGSA-N -1 1 302.338 0.637 20 0 DCADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCC[C@H]1O ZINC001590994593 1167069451 /nfs/dbraw/zinc/06/94/51/1167069451.db2.gz AVAUBTVDCIQFRJ-VXGBXAGGSA-N -1 1 302.338 0.637 20 0 DCADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)[C@H]1CCCCNC1=O ZINC001590995085 1167069477 /nfs/dbraw/zinc/06/94/77/1167069477.db2.gz PTYIEWJLQIZVGQ-NSHDSACASA-N -1 1 315.337 0.002 20 0 DCADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)[C@H]1CCCCNC1=O ZINC001590995085 1167069482 /nfs/dbraw/zinc/06/94/82/1167069482.db2.gz PTYIEWJLQIZVGQ-NSHDSACASA-N -1 1 315.337 0.002 20 0 DCADMM CN(C)C(=O)OC1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001591004312 1167074013 /nfs/dbraw/zinc/07/40/13/1167074013.db2.gz XOWKEMNONXCVCM-UHFFFAOYSA-N -1 1 317.353 0.929 20 0 DCADMM CN(C)C(=O)OC1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001591004312 1167074019 /nfs/dbraw/zinc/07/40/19/1167074019.db2.gz XOWKEMNONXCVCM-UHFFFAOYSA-N -1 1 317.353 0.929 20 0 DCADMM CN(C[C@H](O)Cc1ccccc1)c1cc(-c2nnn[n-]2)ncn1 ZINC001591048723 1167091395 /nfs/dbraw/zinc/09/13/95/1167091395.db2.gz DCXVXTYGTMHBHS-GFCCVEGCSA-N -1 1 311.349 0.697 20 0 DCADMM CN(C[C@H](O)Cc1ccccc1)c1cc(-c2nn[n-]n2)ncn1 ZINC001591048723 1167091401 /nfs/dbraw/zinc/09/14/01/1167091401.db2.gz DCXVXTYGTMHBHS-GFCCVEGCSA-N -1 1 311.349 0.697 20 0 DCADMM CN(CC(C)(C)S(C)(=O)=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591044751 1167092186 /nfs/dbraw/zinc/09/21/86/1167092186.db2.gz PTLMKOQPUWJIHV-UHFFFAOYSA-N -1 1 310.383 0.521 20 0 DCADMM CN(CC(C)(C)S(C)(=O)=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591044751 1167092187 /nfs/dbraw/zinc/09/21/87/1167092187.db2.gz PTLMKOQPUWJIHV-UHFFFAOYSA-N -1 1 310.383 0.521 20 0 DCADMM CN(C[C@@]1(O)CCc2ccccc21)c1nccnc1-c1nnn[n-]1 ZINC001591049691 1167094146 /nfs/dbraw/zinc/09/41/46/1167094146.db2.gz APTIXSBFHRPCHR-INIZCTEOSA-N -1 1 323.360 0.927 20 0 DCADMM CN(C[C@@]1(O)CCc2ccccc21)c1nccnc1-c1nn[n-]n1 ZINC001591049691 1167094150 /nfs/dbraw/zinc/09/41/50/1167094150.db2.gz APTIXSBFHRPCHR-INIZCTEOSA-N -1 1 323.360 0.927 20 0 DCADMM CN(CCCNC(=O)C1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001591070188 1167101492 /nfs/dbraw/zinc/10/14/92/1167101492.db2.gz SHMHGNSDGQAUOO-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CN(Cc1nccn1C(F)F)c1ncncc1-c1nn[n-]n1 ZINC001591152956 1167119397 /nfs/dbraw/zinc/11/93/97/1167119397.db2.gz XULMQZNNDIAZFH-UHFFFAOYSA-N -1 1 307.268 0.885 20 0 DCADMM CN(C(=O)c1ccsc1-c1nnn[n-]1)[C@@H]1CCN(C)C1=O ZINC001591179218 1167129271 /nfs/dbraw/zinc/12/92/71/1167129271.db2.gz FLBLHFDAYJVSGJ-MRVPVSSYSA-N -1 1 306.351 0.231 20 0 DCADMM CN(C(=O)c1ccsc1-c1nn[n-]n1)[C@@H]1CCN(C)C1=O ZINC001591179218 1167129276 /nfs/dbraw/zinc/12/92/76/1167129276.db2.gz FLBLHFDAYJVSGJ-MRVPVSSYSA-N -1 1 306.351 0.231 20 0 DCADMM CN1CCC[C@@H](OC(=O)c2csc(-c3nnn[n-]3)c2)C1=O ZINC001591184700 1167136710 /nfs/dbraw/zinc/13/67/10/1167136710.db2.gz PHGQIMRWYLGSSC-MRVPVSSYSA-N -1 1 307.335 0.706 20 0 DCADMM CN1CCC[C@@H](OC(=O)c2csc(-c3nn[n-]n3)c2)C1=O ZINC001591184700 1167136716 /nfs/dbraw/zinc/13/67/16/1167136716.db2.gz PHGQIMRWYLGSSC-MRVPVSSYSA-N -1 1 307.335 0.706 20 0 DCADMM CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591203796 1167152635 /nfs/dbraw/zinc/15/26/35/1167152635.db2.gz KULODYDIZCOMPK-IUCAKERBSA-N -1 1 302.342 0.292 20 0 DCADMM CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591203796 1167152638 /nfs/dbraw/zinc/15/26/38/1167152638.db2.gz KULODYDIZCOMPK-IUCAKERBSA-N -1 1 302.342 0.292 20 0 DCADMM CNC(=O)CCNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001591207993 1167155961 /nfs/dbraw/zinc/15/59/61/1167155961.db2.gz PUUKIAFMGHQRNK-UHFFFAOYSA-N -1 1 315.259 0.829 20 0 DCADMM CNC(=O)CCNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001591207993 1167155964 /nfs/dbraw/zinc/15/59/64/1167155964.db2.gz PUUKIAFMGHQRNK-UHFFFAOYSA-N -1 1 315.259 0.829 20 0 DCADMM CNC(=O)NC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001591209960 1167157589 /nfs/dbraw/zinc/15/75/89/1167157589.db2.gz JTZGNFBWXFOLJN-UHFFFAOYSA-N -1 1 322.398 0.529 20 0 DCADMM CNC(=O)c1cccc(CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001591214508 1167159676 /nfs/dbraw/zinc/15/96/76/1167159676.db2.gz PXBNNBZKOAIKHK-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM CNC(=O)c1cccc(CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001591214508 1167159678 /nfs/dbraw/zinc/15/96/78/1167159678.db2.gz PXBNNBZKOAIKHK-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM COC(=O)[C@H](CNc1ccnc(-c2nnn[n-]2)c1)CC1CC1 ZINC001591232635 1167168791 /nfs/dbraw/zinc/16/87/91/1167168791.db2.gz MHJMRKRCYNSYIF-JTQLQIEISA-N -1 1 302.338 0.685 20 0 DCADMM COC(=O)[C@H](CNc1ccnc(-c2nn[n-]n2)c1)CC1CC1 ZINC001591232635 1167168793 /nfs/dbraw/zinc/16/87/93/1167168793.db2.gz MHJMRKRCYNSYIF-JTQLQIEISA-N -1 1 302.338 0.685 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001591249444 1167176609 /nfs/dbraw/zinc/17/66/09/1167176609.db2.gz FRFKZMCSGPPZNV-YWVKMMECSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)CCSCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001591265613 1167189656 /nfs/dbraw/zinc/18/96/56/1167189656.db2.gz RCGOTHHHFDARPK-UHFFFAOYSA-N -1 1 308.367 0.970 20 0 DCADMM COC(=O)CCSCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001591265613 1167189663 /nfs/dbraw/zinc/18/96/63/1167189663.db2.gz RCGOTHHHFDARPK-UHFFFAOYSA-N -1 1 308.367 0.970 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591278205 1167195745 /nfs/dbraw/zinc/19/57/45/1167195745.db2.gz WIQWJBAJQXFUEE-NKWVEPMBSA-N -1 1 322.350 0.139 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591278205 1167195750 /nfs/dbraw/zinc/19/57/50/1167195750.db2.gz WIQWJBAJQXFUEE-NKWVEPMBSA-N -1 1 322.350 0.139 20 0 DCADMM COC(=O)c1cc(CNc2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC001591288707 1167200632 /nfs/dbraw/zinc/20/06/32/1167200632.db2.gz GEDXNQMAHMNZCN-UHFFFAOYSA-N -1 1 311.305 0.477 20 0 DCADMM COC(=O)c1cc(CNc2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC001591288707 1167200641 /nfs/dbraw/zinc/20/06/41/1167200641.db2.gz GEDXNQMAHMNZCN-UHFFFAOYSA-N -1 1 311.305 0.477 20 0 DCADMM COC(=O)c1ccc(NCC2=CCOCC2)c(-c2nnn[n-]2)n1 ZINC001591295747 1167202891 /nfs/dbraw/zinc/20/28/91/1167202891.db2.gz NINOXXHWUHLFKR-UHFFFAOYSA-N -1 1 316.321 0.807 20 0 DCADMM COC(=O)c1ccc(NCC2=CCOCC2)c(-c2nn[n-]n2)n1 ZINC001591295747 1167202899 /nfs/dbraw/zinc/20/28/99/1167202899.db2.gz NINOXXHWUHLFKR-UHFFFAOYSA-N -1 1 316.321 0.807 20 0 DCADMM COC(=O)c1ccc(N2CCCOCC2)c(-c2nnn[n-]2)n1 ZINC001591294492 1167203233 /nfs/dbraw/zinc/20/32/33/1167203233.db2.gz IGAHGTISZAWKNT-UHFFFAOYSA-N -1 1 304.310 0.275 20 0 DCADMM COC(=O)c1ccc(N2CCCOCC2)c(-c2nn[n-]n2)n1 ZINC001591294492 1167203238 /nfs/dbraw/zinc/20/32/38/1167203238.db2.gz IGAHGTISZAWKNT-UHFFFAOYSA-N -1 1 304.310 0.275 20 0 DCADMM COC(=O)c1ccc(Cn2ccc(-c3nn[n-]n3)cc2=O)o1 ZINC001591292613 1167204230 /nfs/dbraw/zinc/20/42/30/1167204230.db2.gz CQDDEKSCRRSAFP-UHFFFAOYSA-N -1 1 301.262 0.456 20 0 DCADMM COC1([C@H](C)NC(=O)c2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001591338565 1167221614 /nfs/dbraw/zinc/22/16/14/1167221614.db2.gz QXEGGPYWJNRCSC-VIFPVBQESA-N -1 1 302.338 0.949 20 0 DCADMM COC1([C@H](C)NC(=O)c2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001591338565 1167221621 /nfs/dbraw/zinc/22/16/21/1167221621.db2.gz QXEGGPYWJNRCSC-VIFPVBQESA-N -1 1 302.338 0.949 20 0 DCADMM COC1(C)CCN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001591337791 1167222965 /nfs/dbraw/zinc/22/29/65/1167222965.db2.gz AXMJEWWAOHZLNL-VIFPVBQESA-N -1 1 320.357 0.047 20 0 DCADMM COC1(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001591341142 1167223066 /nfs/dbraw/zinc/22/30/66/1167223066.db2.gz CAZKPJPVLMNBCC-UHFFFAOYSA-N -1 1 316.365 0.880 20 0 DCADMM COC1(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001591341142 1167223068 /nfs/dbraw/zinc/22/30/68/1167223068.db2.gz CAZKPJPVLMNBCC-UHFFFAOYSA-N -1 1 316.365 0.880 20 0 DCADMM CO[C@@H]1[C@H]2C[C@H]3CN(c4nc(C)cc(-c5nnn[n-]5)n4)[C@H]1[C@H]3C2 ZINC001591345850 1167224378 /nfs/dbraw/zinc/22/43/78/1167224378.db2.gz MYASTUKCHPRUBC-ZIIUWJBSSA-N -1 1 313.365 0.825 20 0 DCADMM CO[C@@H]1[C@H]2C[C@H]3CN(c4nc(C)cc(-c5nn[n-]n5)n4)[C@H]1[C@H]3C2 ZINC001591345850 1167224387 /nfs/dbraw/zinc/22/43/87/1167224387.db2.gz MYASTUKCHPRUBC-ZIIUWJBSSA-N -1 1 313.365 0.825 20 0 DCADMM COC1(OC)CC(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591346606 1167228136 /nfs/dbraw/zinc/22/81/36/1167228136.db2.gz NEAUSUBAEDPXLD-UHFFFAOYSA-N -1 1 318.337 0.072 20 0 DCADMM COC1(OC)CC(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591346606 1167228140 /nfs/dbraw/zinc/22/81/40/1167228140.db2.gz NEAUSUBAEDPXLD-UHFFFAOYSA-N -1 1 318.337 0.072 20 0 DCADMM CO[C@H]1CC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591350098 1167228861 /nfs/dbraw/zinc/22/88/61/1167228861.db2.gz DERCTZAEAUEGCN-IUCAKERBSA-N -1 1 303.326 0.951 20 0 DCADMM CO[C@H]1CC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591350098 1167228868 /nfs/dbraw/zinc/22/88/68/1167228868.db2.gz DERCTZAEAUEGCN-IUCAKERBSA-N -1 1 303.326 0.951 20 0 DCADMM CO[C@@H]1CCC[C@H](OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591354281 1167230534 /nfs/dbraw/zinc/23/05/34/1167230534.db2.gz JCHZGHHVBIMGJY-BBBLOLIVSA-N -1 1 321.341 0.520 20 0 DCADMM CO[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001591357961 1167234869 /nfs/dbraw/zinc/23/48/69/1167234869.db2.gz RFFQBSDXLDMNKA-SKDRFNHKSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001591357961 1167234876 /nfs/dbraw/zinc/23/48/76/1167234876.db2.gz RFFQBSDXLDMNKA-SKDRFNHKSA-N -1 1 302.338 0.759 20 0 DCADMM COCC(C)(C)COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591369389 1167241416 /nfs/dbraw/zinc/24/14/16/1167241416.db2.gz OASRYDDMMPUPOD-QMMMGPOBSA-N -1 1 309.330 0.235 20 0 DCADMM COCC(C)(C)CCNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001591368455 1167242853 /nfs/dbraw/zinc/24/28/53/1167242853.db2.gz JAWCLNMSBUWTAG-UHFFFAOYSA-N -1 1 322.369 0.885 20 0 DCADMM COCC(C)(C)CCNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001591368455 1167242857 /nfs/dbraw/zinc/24/28/57/1167242857.db2.gz JAWCLNMSBUWTAG-UHFFFAOYSA-N -1 1 322.369 0.885 20 0 DCADMM COC[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001591380755 1167248621 /nfs/dbraw/zinc/24/86/21/1167248621.db2.gz KICSIQPGQHRSCI-MRVPVSSYSA-N -1 1 317.227 0.996 20 0 DCADMM COC[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001591380755 1167248626 /nfs/dbraw/zinc/24/86/26/1167248626.db2.gz KICSIQPGQHRSCI-MRVPVSSYSA-N -1 1 317.227 0.996 20 0 DCADMM COC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001591382618 1167251576 /nfs/dbraw/zinc/25/15/76/1167251576.db2.gz KSSOOTUZEZLKOM-QWRGUYRKSA-N -1 1 305.342 0.571 20 0 DCADMM COC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001591382618 1167251584 /nfs/dbraw/zinc/25/15/84/1167251584.db2.gz KSSOOTUZEZLKOM-QWRGUYRKSA-N -1 1 305.342 0.571 20 0 DCADMM COC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@H]1CCCOC1 ZINC001591382236 1167252011 /nfs/dbraw/zinc/25/20/11/1167252011.db2.gz GONNVOXASYBEIB-CMPLNLGQSA-N -1 1 319.369 0.819 20 0 DCADMM COC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@H]1CCCOC1 ZINC001591382236 1167252018 /nfs/dbraw/zinc/25/20/18/1167252018.db2.gz GONNVOXASYBEIB-CMPLNLGQSA-N -1 1 319.369 0.819 20 0 DCADMM COC[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC001591382542 1167252322 /nfs/dbraw/zinc/25/23/22/1167252322.db2.gz UXUIJWQOJPUNEY-MWLCHTKSSA-N -1 1 321.337 0.631 20 0 DCADMM COC[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC001591382542 1167252327 /nfs/dbraw/zinc/25/23/27/1167252327.db2.gz UXUIJWQOJPUNEY-MWLCHTKSSA-N -1 1 321.337 0.631 20 0 DCADMM COC[C@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC001591395988 1167265992 /nfs/dbraw/zinc/26/59/92/1167265992.db2.gz OXUXIXNBYUWCJC-PSASIEDQSA-N -1 1 307.310 0.336 20 0 DCADMM COC[C@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC001591395988 1167266000 /nfs/dbraw/zinc/26/60/00/1167266000.db2.gz OXUXIXNBYUWCJC-PSASIEDQSA-N -1 1 307.310 0.336 20 0 DCADMM COCC[C@H](CO)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591398631 1167269511 /nfs/dbraw/zinc/26/95/11/1167269511.db2.gz HMAITPCIWPUJHM-SECBINFHSA-N -1 1 305.342 0.343 20 0 DCADMM COCC[C@H](CO)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591398631 1167269520 /nfs/dbraw/zinc/26/95/20/1167269520.db2.gz HMAITPCIWPUJHM-SECBINFHSA-N -1 1 305.342 0.343 20 0 DCADMM COCCCCN(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591412086 1167273404 /nfs/dbraw/zinc/27/34/04/1167273404.db2.gz XSQFSKGEABKXQC-UHFFFAOYSA-N -1 1 308.346 0.491 20 0 DCADMM COCCCCN(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591412086 1167273409 /nfs/dbraw/zinc/27/34/09/1167273409.db2.gz XSQFSKGEABKXQC-UHFFFAOYSA-N -1 1 308.346 0.491 20 0 DCADMM COCCCNC(=O)[C@H](C)Sc1cccnc1-c1nnn[n-]1 ZINC001591415953 1167275631 /nfs/dbraw/zinc/27/56/31/1167275631.db2.gz NHZLCUOFKOBOKE-VIFPVBQESA-N -1 1 322.394 0.895 20 0 DCADMM COCCCNC(=O)[C@H](C)Sc1cccnc1-c1nn[n-]n1 ZINC001591415953 1167275636 /nfs/dbraw/zinc/27/56/36/1167275636.db2.gz NHZLCUOFKOBOKE-VIFPVBQESA-N -1 1 322.394 0.895 20 0 DCADMM COCCCOCCN(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591417288 1167275924 /nfs/dbraw/zinc/27/59/24/1167275924.db2.gz SGZMZNSWOGHKOQ-UHFFFAOYSA-N -1 1 309.326 0.585 20 0 DCADMM COCCCOCCN(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591417288 1167275930 /nfs/dbraw/zinc/27/59/30/1167275930.db2.gz SGZMZNSWOGHKOQ-UHFFFAOYSA-N -1 1 309.326 0.585 20 0 DCADMM COC[C@@H]1C[C@@H](O)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001591452781 1167292497 /nfs/dbraw/zinc/29/24/97/1167292497.db2.gz TVXGAGWEILNPMD-NTSWFWBYSA-N -1 1 316.774 0.563 20 0 DCADMM COC[C@@H]1C[C@@H](O)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001591452781 1167292503 /nfs/dbraw/zinc/29/25/03/1167292503.db2.gz TVXGAGWEILNPMD-NTSWFWBYSA-N -1 1 316.774 0.563 20 0 DCADMM COCc1nsc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001591462960 1167297648 /nfs/dbraw/zinc/29/76/48/1167297648.db2.gz YSKNCUYMCMJSOO-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COCc1nsc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001591462960 1167297652 /nfs/dbraw/zinc/29/76/52/1167297652.db2.gz YSKNCUYMCMJSOO-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM CON1CCC(N(C)C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001591467947 1167301782 /nfs/dbraw/zinc/30/17/82/1167301782.db2.gz CHUUCYZXFYSTEN-UHFFFAOYSA-N -1 1 306.326 0.558 20 0 DCADMM CON1CCC(N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001591467947 1167301789 /nfs/dbraw/zinc/30/17/89/1167301789.db2.gz CHUUCYZXFYSTEN-UHFFFAOYSA-N -1 1 306.326 0.558 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCOC[C@H]1CCCO1 ZINC001591475150 1167307836 /nfs/dbraw/zinc/30/78/36/1167307836.db2.gz RTSCTXYZSDQOOR-SNVBAGLBSA-N -1 1 321.337 0.233 20 0 DCADMM COc1cccc([C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001591637598 1167340775 /nfs/dbraw/zinc/34/07/75/1167340775.db2.gz QMMHEJSNHOIQCC-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM COc1cccc([C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001591637598 1167340780 /nfs/dbraw/zinc/34/07/80/1167340780.db2.gz QMMHEJSNHOIQCC-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ncc(NC(=O)c2coc(C)n2)cc1-c1nn[n-]n1 ZINC001591668239 1167345426 /nfs/dbraw/zinc/34/54/26/1167345426.db2.gz USAIIVYSXIEKGY-UHFFFAOYSA-N -1 1 301.266 0.819 20 0 DCADMM COc1ncc(NC(=O)c2cc(C)ncn2)cc1-c1nn[n-]n1 ZINC001591667442 1167346651 /nfs/dbraw/zinc/34/66/51/1167346651.db2.gz LOJQFAHOEATINJ-UHFFFAOYSA-N -1 1 312.293 0.621 20 0 DCADMM CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591672627 1167349038 /nfs/dbraw/zinc/34/90/38/1167349038.db2.gz BDAKOKHRAAPTRD-ONGXEEELSA-N -1 1 322.394 0.451 20 0 DCADMM CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591672627 1167349044 /nfs/dbraw/zinc/34/90/44/1167349044.db2.gz BDAKOKHRAAPTRD-ONGXEEELSA-N -1 1 322.394 0.451 20 0 DCADMM CSC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591694978 1167355506 /nfs/dbraw/zinc/35/55/06/1167355506.db2.gz BLSQIWDQACQLNV-ZETCQYMHSA-N -1 1 321.366 0.068 20 0 DCADMM CSC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591694978 1167355509 /nfs/dbraw/zinc/35/55/09/1167355509.db2.gz BLSQIWDQACQLNV-ZETCQYMHSA-N -1 1 321.366 0.068 20 0 DCADMM CSC[C@H](C)C(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001591694708 1167356412 /nfs/dbraw/zinc/35/64/12/1167356412.db2.gz RFECGSOXBDWWAU-QMMMGPOBSA-N -1 1 322.398 0.184 20 0 DCADMM CSC[C@H](C)C(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001591694708 1167356418 /nfs/dbraw/zinc/35/64/18/1167356418.db2.gz RFECGSOXBDWWAU-QMMMGPOBSA-N -1 1 322.398 0.184 20 0 DCADMM C[C@@H]1CC[C@@H](O)CN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591734504 1167364275 /nfs/dbraw/zinc/36/42/75/1167364275.db2.gz CQNVRFGDSWDBPH-RKDXNWHRSA-N -1 1 305.313 0.991 20 0 DCADMM C[C@@H]1CC[C@@H](O)CN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591734504 1167364283 /nfs/dbraw/zinc/36/42/83/1167364283.db2.gz CQNVRFGDSWDBPH-RKDXNWHRSA-N -1 1 305.313 0.991 20 0 DCADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(=O)N(C)C ZINC001591770312 1167371392 /nfs/dbraw/zinc/37/13/92/1167371392.db2.gz RCOBBDGKOZJEBI-BYPYZUCNSA-N -1 1 301.763 0.865 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@H]2CCC[C@@H](C)C2)c(=O)n1C ZINC001591793892 1167380528 /nfs/dbraw/zinc/38/05/28/1167380528.db2.gz NJMNSFNCHWDTCB-KOLCDFICSA-N -1 1 318.381 0.862 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@H]2CCCO2)c(=O)n1C1CC1 ZINC001591793756 1167381223 /nfs/dbraw/zinc/38/12/23/1167381223.db2.gz HGYMNGQKXMVFPQ-SNVBAGLBSA-N -1 1 318.337 0.012 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cccc(F)n2)nn1C ZINC001591798136 1167384257 /nfs/dbraw/zinc/38/42/57/1167384257.db2.gz ZUXPNOFWXOPAEG-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cccc(F)n2)nn1C ZINC001591798136 1167384261 /nfs/dbraw/zinc/38/42/61/1167384261.db2.gz ZUXPNOFWXOPAEG-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1c(CC(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)cnn1C ZINC001591817558 1167385310 /nfs/dbraw/zinc/38/53/10/1167385310.db2.gz HBKZUOVZJBAFNV-UHFFFAOYSA-N -1 1 312.337 0.509 20 0 DCADMM Cc1c(CC(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cnn1C ZINC001591817558 1167385322 /nfs/dbraw/zinc/38/53/22/1167385322.db2.gz HBKZUOVZJBAFNV-UHFFFAOYSA-N -1 1 312.337 0.509 20 0 DCADMM Cc1c(Cl)nnc(NCCn2cnc(-c3nn[n-]n3)n2)c1C ZINC001591821430 1167387465 /nfs/dbraw/zinc/38/74/65/1167387465.db2.gz IRDVCNXATLSZAX-UHFFFAOYSA-N -1 1 320.748 0.631 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCC[C@H]2O)n1 ZINC001591883233 1167409709 /nfs/dbraw/zinc/40/97/09/1167409709.db2.gz DBTIHIJRUBHMFO-CMPLNLGQSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCC[C@H]2O)n1 ZINC001591883233 1167409710 /nfs/dbraw/zinc/40/97/10/1167409710.db2.gz DBTIHIJRUBHMFO-CMPLNLGQSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(N)=O)CC2)c1 ZINC001591887270 1167412034 /nfs/dbraw/zinc/41/20/34/1167412034.db2.gz YNTWFEIMJJYQBT-UHFFFAOYSA-N -1 1 302.342 0.161 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(N)=O)CC2)c1 ZINC001591887270 1167412037 /nfs/dbraw/zinc/41/20/37/1167412037.db2.gz YNTWFEIMJJYQBT-UHFFFAOYSA-N -1 1 302.342 0.161 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2nnc3n2CCC3)n1 ZINC001591899289 1167412841 /nfs/dbraw/zinc/41/28/41/1167412841.db2.gz DPKGSDQHWMLVDR-UHFFFAOYSA-N -1 1 312.341 0.157 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2nnc3n2CCC3)n1 ZINC001591899289 1167412843 /nfs/dbraw/zinc/41/28/43/1167412843.db2.gz DPKGSDQHWMLVDR-UHFFFAOYSA-N -1 1 312.341 0.157 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)n1 ZINC001591892491 1167414040 /nfs/dbraw/zinc/41/40/40/1167414040.db2.gz PBDCEELVWQLCAM-JVUFJMBOSA-N -1 1 314.353 0.386 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)n1 ZINC001591892491 1167414042 /nfs/dbraw/zinc/41/40/42/1167414042.db2.gz PBDCEELVWQLCAM-JVUFJMBOSA-N -1 1 314.353 0.386 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccc(C(N)=O)cc2)n1 ZINC001591900626 1167415321 /nfs/dbraw/zinc/41/53/21/1167415321.db2.gz CNXMYUISSWPXAY-UHFFFAOYSA-N -1 1 310.321 0.676 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccc(C(N)=O)cc2)n1 ZINC001591900626 1167415328 /nfs/dbraw/zinc/41/53/28/1167415328.db2.gz CNXMYUISSWPXAY-UHFFFAOYSA-N -1 1 310.321 0.676 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2nncn2C(C)C)n1 ZINC001591900904 1167416084 /nfs/dbraw/zinc/41/60/84/1167416084.db2.gz IXEPVDPYLPDANY-UHFFFAOYSA-N -1 1 300.330 0.750 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2nncn2C(C)C)n1 ZINC001591900904 1167416087 /nfs/dbraw/zinc/41/60/87/1167416087.db2.gz IXEPVDPYLPDANY-UHFFFAOYSA-N -1 1 300.330 0.750 20 0 DCADMM Cc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)nn1C(C)C ZINC001591940562 1167422309 /nfs/dbraw/zinc/42/23/09/1167422309.db2.gz MGPBDHLKMGBYJL-UHFFFAOYSA-N -1 1 301.314 0.420 20 0 DCADMM Cc1ccc(Cn2c(=O)c(-c3nn[n-]n3)c(C)n(C)c2=O)cc1 ZINC001592171758 1167468485 /nfs/dbraw/zinc/46/84/85/1167468485.db2.gz NONSKARBURWLLE-UHFFFAOYSA-N -1 1 312.333 0.392 20 0 DCADMM Cc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1C(N)=O ZINC001592235734 1167478251 /nfs/dbraw/zinc/47/82/51/1167478251.db2.gz UKAVAQOJESEVJA-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1C(N)=O ZINC001592235734 1167478256 /nfs/dbraw/zinc/47/82/56/1167478256.db2.gz UKAVAQOJESEVJA-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccn(CN2CCSC[C@H]2C)c(=O)c1-c1nn[n-]n1 ZINC001592268049 1167480772 /nfs/dbraw/zinc/48/07/72/1167480772.db2.gz XEBLTALNDKZHLD-SNVBAGLBSA-N -1 1 306.395 0.732 20 0 DCADMM Cc1cnc(CCOC(=O)c2cccc(-c3nnn[n-]3)n2)cn1 ZINC001592294689 1167484887 /nfs/dbraw/zinc/48/48/87/1167484887.db2.gz YWSGORIPRMBHDC-UHFFFAOYSA-N -1 1 311.305 0.760 20 0 DCADMM Cc1cnc(CCOC(=O)c2cccc(-c3nn[n-]n3)n2)cn1 ZINC001592294689 1167484891 /nfs/dbraw/zinc/48/48/91/1167484891.db2.gz YWSGORIPRMBHDC-UHFFFAOYSA-N -1 1 311.305 0.760 20 0 DCADMM Cc1coc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592307917 1167487251 /nfs/dbraw/zinc/48/72/51/1167487251.db2.gz ZCNGSWPHXUHAQW-MRVPVSSYSA-N -1 1 303.282 0.664 20 0 DCADMM Cc1nc(N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)n[nH]1 ZINC001592327492 1167489246 /nfs/dbraw/zinc/48/92/46/1167489246.db2.gz KBTRFOJFUKUKNJ-UHFFFAOYSA-N -1 1 315.341 0.208 20 0 DCADMM Cc1nc(N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)n[nH]1 ZINC001592327492 1167489252 /nfs/dbraw/zinc/48/92/52/1167489252.db2.gz KBTRFOJFUKUKNJ-UHFFFAOYSA-N -1 1 315.341 0.208 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnn3ccccc23)c1-c1nn[n-]n1 ZINC001592330448 1167491082 /nfs/dbraw/zinc/49/10/82/1167491082.db2.gz HFWRWQQNLUTNOJ-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1[nH]nc(NCc2ccc(C(=O)N(C)C)[nH]2)c1-c1nnn[n-]1 ZINC001592330179 1167491855 /nfs/dbraw/zinc/49/18/55/1167491855.db2.gz DGZCPNOQSJUSQU-UHFFFAOYSA-N -1 1 315.341 0.540 20 0 DCADMM Cc1[nH]nc(NCc2ccc(C(=O)N(C)C)[nH]2)c1-c1nn[n-]n1 ZINC001592330179 1167491861 /nfs/dbraw/zinc/49/18/61/1167491861.db2.gz DGZCPNOQSJUSQU-UHFFFAOYSA-N -1 1 315.341 0.540 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnc3[nH]ccc3c2)c1-c1nn[n-]n1 ZINC001592331264 1167491987 /nfs/dbraw/zinc/49/19/87/1167491987.db2.gz XPONQMIHCYYLKK-UHFFFAOYSA-N -1 1 309.293 0.978 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(CC2(CS(C)(=O)=O)CC2)c1C ZINC001592339335 1167492785 /nfs/dbraw/zinc/49/27/85/1167492785.db2.gz HWTLPMZRAQCWHA-UHFFFAOYSA-N -1 1 310.383 0.505 20 0 DCADMM Cc1nc(-c2nn[nH]n2)c(-n2[n-]c([C@@H]3CCOC3)cc2=O)o1 ZINC001592337385 1167493400 /nfs/dbraw/zinc/49/34/00/1167493400.db2.gz UWFYJUXMQFOTGL-SSDOTTSWSA-N -1 1 303.282 0.292 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1 ZINC001592341384 1167496006 /nfs/dbraw/zinc/49/60/06/1167496006.db2.gz RXTYPZWSOZHJIK-VXGBXAGGSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1 ZINC001592341384 1167496010 /nfs/dbraw/zinc/49/60/10/1167496010.db2.gz RXTYPZWSOZHJIK-VXGBXAGGSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc(-c2nnn[n-]2)n1 ZINC001592386911 1167511474 /nfs/dbraw/zinc/51/14/74/1167511474.db2.gz CWBDYRAIWANSPS-KKZNHRDASA-N -1 1 303.326 0.181 20 0 DCADMM Cc1nc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc(-c2nn[n-]n2)n1 ZINC001592386911 1167511476 /nfs/dbraw/zinc/51/14/76/1167511476.db2.gz CWBDYRAIWANSPS-KKZNHRDASA-N -1 1 303.326 0.181 20 0 DCADMM Cc1nc(Sc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)oc1C ZINC001592398867 1167512589 /nfs/dbraw/zinc/51/25/89/1167512589.db2.gz FDIKDMDYFFSVLE-UHFFFAOYSA-N -1 1 321.322 0.010 20 0 DCADMM Cc1nccnc1CCOC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592420011 1167516750 /nfs/dbraw/zinc/51/67/50/1167516750.db2.gz KYMXSWLOJDKLJZ-UHFFFAOYSA-N -1 1 300.278 0.958 20 0 DCADMM Cc1ncncc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592421553 1167518682 /nfs/dbraw/zinc/51/86/82/1167518682.db2.gz NXGZKKYDQCKEPN-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1nn(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436682 1167522009 /nfs/dbraw/zinc/52/20/09/1167522009.db2.gz ZFCYMNNMLQFGSP-SRVKXCTJSA-N -1 1 316.365 0.998 20 0 DCADMM Cc1nn(C)cc1COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592436281 1167522892 /nfs/dbraw/zinc/52/28/92/1167522892.db2.gz WEHJOUGKBQSAQM-UHFFFAOYSA-N -1 1 313.321 0.590 20 0 DCADMM Cc1nn(C)cc1COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592436281 1167522896 /nfs/dbraw/zinc/52/28/96/1167522896.db2.gz WEHJOUGKBQSAQM-UHFFFAOYSA-N -1 1 313.321 0.590 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592442233 1167526130 /nfs/dbraw/zinc/52/61/30/1167526130.db2.gz JXFBBJOVIDSBFT-CBAPKCEASA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592442233 1167526132 /nfs/dbraw/zinc/52/61/32/1167526132.db2.gz JXFBBJOVIDSBFT-CBAPKCEASA-N -1 1 317.353 0.852 20 0 DCADMM Cc1noc([C@@H](C)N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592455309 1167528832 /nfs/dbraw/zinc/52/88/32/1167528832.db2.gz HVEINKSBSMWCEN-SSDOTTSWSA-N -1 1 314.309 0.786 20 0 DCADMM Cc1noc([C@@H](C)N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592455309 1167528837 /nfs/dbraw/zinc/52/88/37/1167528837.db2.gz HVEINKSBSMWCEN-SSDOTTSWSA-N -1 1 314.309 0.786 20 0 DCADMM Cc1nsc(N(C)C(=O)c2cncnc2)c1-c1nnn[n-]1 ZINC001592467798 1167531111 /nfs/dbraw/zinc/53/11/11/1167531111.db2.gz JNTYRRYCCDMQCY-UHFFFAOYSA-N -1 1 302.323 0.698 20 0 DCADMM Cc1nsc(N(C)C(=O)c2cncnc2)c1-c1nn[n-]n1 ZINC001592467798 1167531116 /nfs/dbraw/zinc/53/11/16/1167531116.db2.gz JNTYRRYCCDMQCY-UHFFFAOYSA-N -1 1 302.323 0.698 20 0 DCADMM Cc1nsc(NC(=O)N[C@]2(C)CCOC2)c1-c1nnn[n-]1 ZINC001592481391 1167534619 /nfs/dbraw/zinc/53/46/19/1167534619.db2.gz NGWWUTWMXGWPGF-LLVKDONJSA-N -1 1 309.355 0.932 20 0 DCADMM Cc1nsc(NC(=O)N[C@]2(C)CCOC2)c1-c1nn[n-]n1 ZINC001592481391 1167534625 /nfs/dbraw/zinc/53/46/25/1167534625.db2.gz NGWWUTWMXGWPGF-LLVKDONJSA-N -1 1 309.355 0.932 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@@H](O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592480253 1167534673 /nfs/dbraw/zinc/53/46/73/1167534673.db2.gz VQKUAPVAFFCXOK-HTRCEHHLSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@@H](O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592480253 1167534678 /nfs/dbraw/zinc/53/46/78/1167534678.db2.gz VQKUAPVAFFCXOK-HTRCEHHLSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NCc2cnc3n2CCOC3)c1-c1nn[n-]n1 ZINC001592493321 1167538457 /nfs/dbraw/zinc/53/84/57/1167538457.db2.gz ZCEDMLRDGTXSGZ-UHFFFAOYSA-N -1 1 318.366 0.970 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCc1cnn(C)n1 ZINC001592500686 1167540464 /nfs/dbraw/zinc/54/04/64/1167540464.db2.gz GTDQZCHVUAWLMM-UHFFFAOYSA-N -1 1 316.325 0.259 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCc1cnn(C)n1 ZINC001592500686 1167540472 /nfs/dbraw/zinc/54/04/72/1167540472.db2.gz GTDQZCHVUAWLMM-UHFFFAOYSA-N -1 1 316.325 0.259 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2ncncc2C1 ZINC001592500711 1167541200 /nfs/dbraw/zinc/54/12/00/1167541200.db2.gz ZBKMWAPXBWHVKB-UHFFFAOYSA-N -1 1 311.305 0.757 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2ncncc2C1 ZINC001592500711 1167541208 /nfs/dbraw/zinc/54/12/08/1167541208.db2.gz ZBKMWAPXBWHVKB-UHFFFAOYSA-N -1 1 311.305 0.757 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCOC(=O)N(C)C ZINC001592504005 1167543453 /nfs/dbraw/zinc/54/34/53/1167543453.db2.gz PDQFVLQWNIEHIV-UHFFFAOYSA-N -1 1 309.282 0.623 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCOC(=O)N(C)C ZINC001592504005 1167543462 /nfs/dbraw/zinc/54/34/62/1167543462.db2.gz PDQFVLQWNIEHIV-UHFFFAOYSA-N -1 1 309.282 0.623 20 0 DCADMM Cc1onc(CC(=O)N[C@H](C)COCC2CC2)c1-c1nnn[n-]1 ZINC001592515710 1167543850 /nfs/dbraw/zinc/54/38/50/1167543850.db2.gz KEIVGEUSBNKKNW-MRVPVSSYSA-N -1 1 320.353 0.637 20 0 DCADMM Cc1onc(CC(=O)N[C@H](C)COCC2CC2)c1-c1nn[n-]n1 ZINC001592515710 1167543856 /nfs/dbraw/zinc/54/38/56/1167543856.db2.gz KEIVGEUSBNKKNW-MRVPVSSYSA-N -1 1 320.353 0.637 20 0 DCADMM Cc1oc(NC(=O)COC(=O)C2COC2)c(-c2nn[n-]n2)c1C ZINC001592511310 1167544971 /nfs/dbraw/zinc/54/49/71/1167544971.db2.gz OOZKSPCJIFFFCX-UHFFFAOYSA-N -1 1 321.293 0.205 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCOC[C@H]2C)c1-c1nnn[n-]1 ZINC001592516803 1167546797 /nfs/dbraw/zinc/54/67/97/1167546797.db2.gz ACCZTTYHCZSYLA-SCZZXKLOSA-N -1 1 320.353 0.494 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCOC[C@H]2C)c1-c1nn[n-]n1 ZINC001592516803 1167546800 /nfs/dbraw/zinc/54/68/00/1167546800.db2.gz ACCZTTYHCZSYLA-SCZZXKLOSA-N -1 1 320.353 0.494 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](CCCO)C2)c1-c1nnn[n-]1 ZINC001592515827 1167547202 /nfs/dbraw/zinc/54/72/02/1167547202.db2.gz LZFIEYPGTXRHLF-SNVBAGLBSA-N -1 1 320.353 0.327 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](CCCO)C2)c1-c1nn[n-]n1 ZINC001592515827 1167547211 /nfs/dbraw/zinc/54/72/11/1167547211.db2.gz LZFIEYPGTXRHLF-SNVBAGLBSA-N -1 1 320.353 0.327 20 0 DCADMM Clc1cnn([C@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)c1 ZINC001592538651 1167549480 /nfs/dbraw/zinc/54/94/80/1167549480.db2.gz MTGRDRICXIOUDQ-VIFPVBQESA-N -1 1 317.744 0.958 20 0 DCADMM Clc1cnn([C@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)c1 ZINC001592538651 1167549484 /nfs/dbraw/zinc/54/94/84/1167549484.db2.gz MTGRDRICXIOUDQ-VIFPVBQESA-N -1 1 317.744 0.958 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2nc(Cl)cs2)n1 ZINC001592559998 1167560590 /nfs/dbraw/zinc/56/05/90/1167560590.db2.gz KWQOQZHLLODNTB-UHFFFAOYSA-N -1 1 310.730 0.962 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2nc(Cl)cs2)n1 ZINC001592559998 1167560596 /nfs/dbraw/zinc/56/05/96/1167560596.db2.gz KWQOQZHLLODNTB-UHFFFAOYSA-N -1 1 310.730 0.962 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC[C@H]2CC2(F)F)n1 ZINC001592559857 1167560993 /nfs/dbraw/zinc/56/09/93/1167560993.db2.gz MKAOHCFTSGAAHO-LURJTMIESA-N -1 1 312.284 0.767 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC[C@H]2CC2(F)F)n1 ZINC001592559857 1167560999 /nfs/dbraw/zinc/56/09/99/1167560999.db2.gz MKAOHCFTSGAAHO-LURJTMIESA-N -1 1 312.284 0.767 20 0 DCADMM Cn1cncc1CCC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592590661 1167573285 /nfs/dbraw/zinc/57/32/85/1167573285.db2.gz ZEUZHKQKEIXXJP-UHFFFAOYSA-N -1 1 318.366 0.306 20 0 DCADMM Cn1cncc1CCC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592590661 1167573290 /nfs/dbraw/zinc/57/32/90/1167573290.db2.gz ZEUZHKQKEIXXJP-UHFFFAOYSA-N -1 1 318.366 0.306 20 0 DCADMM Cn1cnc2cc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)ccc21 ZINC001592589242 1167574763 /nfs/dbraw/zinc/57/47/63/1167574763.db2.gz VNLIBHKZVXBEIR-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1cnc2cc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)ccc21 ZINC001592589242 1167574770 /nfs/dbraw/zinc/57/47/70/1167574770.db2.gz VNLIBHKZVXBEIR-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1cnnc1CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592591358 1167575606 /nfs/dbraw/zinc/57/56/06/1167575606.db2.gz ZXQPDGBDWKPQPQ-UHFFFAOYSA-N -1 1 323.320 0.407 20 0 DCADMM Cn1nc2c(c1CNc1cc(-c3nnn[n-]3)ncn1)CCCC2 ZINC001592597378 1167578679 /nfs/dbraw/zinc/57/86/79/1167578679.db2.gz XYPOXWGCVZFPRY-UHFFFAOYSA-N -1 1 311.353 0.881 20 0 DCADMM Cn1nc2c(c1CNc1cc(-c3nn[n-]n3)ncn1)CCCC2 ZINC001592597378 1167578683 /nfs/dbraw/zinc/57/86/83/1167578683.db2.gz XYPOXWGCVZFPRY-UHFFFAOYSA-N -1 1 311.353 0.881 20 0 DCADMM Cn1ncc2c1C[C@@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)CC2 ZINC001592603544 1167580708 /nfs/dbraw/zinc/58/07/08/1167580708.db2.gz PFOGDKIBMPMCGB-ZETCQYMHSA-N -1 1 313.325 0.067 20 0 DCADMM Cn1ncc2cc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)cnc21 ZINC001592603502 1167581345 /nfs/dbraw/zinc/58/13/45/1167581345.db2.gz OCWHIHYCZMSRAU-UHFFFAOYSA-N -1 1 310.281 0.124 20 0 DCADMM Cn1ncc2cc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)cnc21 ZINC001592603502 1167581349 /nfs/dbraw/zinc/58/13/49/1167581349.db2.gz OCWHIHYCZMSRAU-UHFFFAOYSA-N -1 1 310.281 0.124 20 0 DCADMM Cn1nccc1CCC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592605257 1167582311 /nfs/dbraw/zinc/58/23/11/1167582311.db2.gz HRDMTDJYFYOBFY-UHFFFAOYSA-N -1 1 318.366 0.306 20 0 DCADMM Cn1nccc1CCC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592605257 1167582316 /nfs/dbraw/zinc/58/23/16/1167582316.db2.gz HRDMTDJYFYOBFY-UHFFFAOYSA-N -1 1 318.366 0.306 20 0 DCADMM Cn1nnc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1C(F)F ZINC001592609417 1167583319 /nfs/dbraw/zinc/58/33/19/1167583319.db2.gz WYBUWJAVUGMXGH-UHFFFAOYSA-N -1 1 310.224 0.778 20 0 DCADMM FC(F)(F)[C@H]1CCC[C@@H](Cn2cc(-c3nn[n-]n3)nn2)O1 ZINC001592613730 1167586499 /nfs/dbraw/zinc/58/64/99/1167586499.db2.gz JWMNVQNAXYBSQB-POYBYMJQSA-N -1 1 303.248 0.958 20 0 DCADMM FC(F)(F)CN1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592614451 1167587016 /nfs/dbraw/zinc/58/70/16/1167587016.db2.gz ONUUWSYAZGCQBW-SSDOTTSWSA-N -1 1 314.275 0.705 20 0 DCADMM FC(F)(F)CN1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592614451 1167587022 /nfs/dbraw/zinc/58/70/22/1167587022.db2.gz ONUUWSYAZGCQBW-SSDOTTSWSA-N -1 1 314.275 0.705 20 0 DCADMM NC(=O)[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)cc1 ZINC001592716220 1167610957 /nfs/dbraw/zinc/61/09/57/1167610957.db2.gz UKPPAELRTBQOTG-LBPRGKRZSA-N -1 1 316.296 0.915 20 0 DCADMM NC(=O)[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(F)cc1 ZINC001592716220 1167610959 /nfs/dbraw/zinc/61/09/59/1167610959.db2.gz UKPPAELRTBQOTG-LBPRGKRZSA-N -1 1 316.296 0.915 20 0 DCADMM NC(=O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001592715765 1167612389 /nfs/dbraw/zinc/61/23/89/1167612389.db2.gz MDHLPGJXEBPDOK-LLVKDONJSA-N -1 1 312.289 0.416 20 0 DCADMM NC(=O)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001592715765 1167612391 /nfs/dbraw/zinc/61/23/91/1167612391.db2.gz MDHLPGJXEBPDOK-LLVKDONJSA-N -1 1 312.289 0.416 20 0 DCADMM NC(=O)c1sccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592738127 1167622810 /nfs/dbraw/zinc/62/28/10/1167622810.db2.gz APYKFHHVQTZFRU-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM NC(=O)c1sccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592738127 1167622813 /nfs/dbraw/zinc/62/28/13/1167622813.db2.gz APYKFHHVQTZFRU-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CC12CCSCC2 ZINC001592753480 1167631448 /nfs/dbraw/zinc/63/14/48/1167631448.db2.gz AKPFOMXMMMPTOI-MRVPVSSYSA-N -1 1 305.367 0.819 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1coc(=O)c2ccccc12 ZINC001592753144 1167632302 /nfs/dbraw/zinc/63/23/02/1167632302.db2.gz OWOQDBHMHDPAJX-UHFFFAOYSA-N -1 1 323.272 0.440 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H](O)c1ccc(Cl)cc1 ZINC001592754912 1167632822 /nfs/dbraw/zinc/63/28/22/1167632822.db2.gz WCCXQYRGBIZYRC-SECBINFHSA-N -1 1 319.712 0.673 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001592754956 1167633732 /nfs/dbraw/zinc/63/37/32/1167633732.db2.gz YKNBISLLWMVKAJ-NJUXHZRNSA-N -1 1 309.280 0.967 20 0 DCADMM Nc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592760527 1167636437 /nfs/dbraw/zinc/63/64/37/1167636437.db2.gz MCTUVJIUAIMUJE-UHFFFAOYSA-N -1 1 320.334 0.520 20 0 DCADMM O=C(/C=C/[C@H]1CCOC1)OCc1cccnc1-c1nnn[n-]1 ZINC001592794193 1167641878 /nfs/dbraw/zinc/64/18/78/1167641878.db2.gz JQWJLONCXBRURO-FSIBCCDJSA-N -1 1 301.306 0.898 20 0 DCADMM O=C(/C=C/[C@H]1CCOC1)OCc1cccnc1-c1nn[n-]n1 ZINC001592794193 1167641883 /nfs/dbraw/zinc/64/18/83/1167641883.db2.gz JQWJLONCXBRURO-FSIBCCDJSA-N -1 1 301.306 0.898 20 0 DCADMM O=C(C=C1CCC1)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592787881 1167642956 /nfs/dbraw/zinc/64/29/56/1167642956.db2.gz QLOXITCPMQGQPA-UHFFFAOYSA-N -1 1 300.326 0.295 20 0 DCADMM O=C(C=C1CCC1)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592787881 1167642961 /nfs/dbraw/zinc/64/29/61/1167642961.db2.gz QLOXITCPMQGQPA-UHFFFAOYSA-N -1 1 300.326 0.295 20 0 DCADMM O=C(CCNc1cncc(-c2nnn[n-]2)n1)N1CCCCC1 ZINC001592844455 1167648581 /nfs/dbraw/zinc/64/85/81/1167648581.db2.gz BSVSVCGTBUAIJD-UHFFFAOYSA-N -1 1 302.342 0.471 20 0 DCADMM O=C(CCNc1cncc(-c2nn[n-]n2)n1)N1CCCCC1 ZINC001592844455 1167648586 /nfs/dbraw/zinc/64/85/86/1167648586.db2.gz BSVSVCGTBUAIJD-UHFFFAOYSA-N -1 1 302.342 0.471 20 0 DCADMM O=C(CCc1ccc(=O)[nH]c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592849753 1167649165 /nfs/dbraw/zinc/64/91/65/1167649165.db2.gz GGRYTBNMBGZMSH-UHFFFAOYSA-N -1 1 300.282 0.262 20 0 DCADMM O=C(CCc1ccc(=O)[nH]c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592849753 1167649171 /nfs/dbraw/zinc/64/91/71/1167649171.db2.gz GGRYTBNMBGZMSH-UHFFFAOYSA-N -1 1 300.282 0.262 20 0 DCADMM O=C(CCCn1ccnc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592841870 1167649563 /nfs/dbraw/zinc/64/95/63/1167649563.db2.gz INXSBUAZJYCZGR-UHFFFAOYSA-N -1 1 318.366 0.616 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCOC2(CCC2)C1 ZINC001592915459 1167665846 /nfs/dbraw/zinc/66/58/46/1167665846.db2.gz ORFHPTCGKWRRSP-UHFFFAOYSA-N -1 1 314.349 0.586 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCOC2(CCC2)C1 ZINC001592915459 1167665851 /nfs/dbraw/zinc/66/58/51/1167665851.db2.gz ORFHPTCGKWRRSP-UHFFFAOYSA-N -1 1 314.349 0.586 20 0 DCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N1CCCCCC1 ZINC001592937985 1167667444 /nfs/dbraw/zinc/66/74/44/1167667444.db2.gz UMUIAGIMZGERAT-UHFFFAOYSA-N -1 1 302.338 0.431 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nc2c(s1)CCC2 ZINC001592941717 1167670375 /nfs/dbraw/zinc/67/03/75/1167670375.db2.gz QSUQRTPHJKQYTB-UHFFFAOYSA-N -1 1 317.338 0.042 20 0 DCADMM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592965289 1167676818 /nfs/dbraw/zinc/67/68/18/1167676818.db2.gz BQRBLBBBFQVYKJ-GHMZBOCLSA-N -1 1 300.322 0.295 20 0 DCADMM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592965289 1167676822 /nfs/dbraw/zinc/67/68/22/1167676822.db2.gz BQRBLBBBFQVYKJ-GHMZBOCLSA-N -1 1 300.322 0.295 20 0 DCADMM O=C(N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ncccc1[O-] ZINC001593006109 1167686622 /nfs/dbraw/zinc/68/66/22/1167686622.db2.gz ZPJDTIYXSWNRGJ-LBPRGKRZSA-N -1 1 322.328 0.865 20 0 DCADMM O=C(NCCCN1CCOC1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001593071009 1167698219 /nfs/dbraw/zinc/69/82/19/1167698219.db2.gz MMZULMHJALMQAU-UHFFFAOYSA-N -1 1 306.282 0.032 20 0 DCADMM O=C(NCCCN1CCOC1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593071009 1167698224 /nfs/dbraw/zinc/69/82/24/1167698224.db2.gz MMZULMHJALMQAU-UHFFFAOYSA-N -1 1 306.282 0.032 20 0 DCADMM O=C(NCCCNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001593076255 1167699937 /nfs/dbraw/zinc/69/99/37/1167699937.db2.gz ZHRPCODCVAKNPL-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCCNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001593076255 1167699940 /nfs/dbraw/zinc/69/99/40/1167699940.db2.gz ZHRPCODCVAKNPL-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCN1CCCC1=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593084256 1167700216 /nfs/dbraw/zinc/70/02/16/1167700216.db2.gz JJFZVSVTRVAMBM-UHFFFAOYSA-N -1 1 306.351 0.280 20 0 DCADMM O=C(NCCN1CCCC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC001593084256 1167700221 /nfs/dbraw/zinc/70/02/21/1167700221.db2.gz JJFZVSVTRVAMBM-UHFFFAOYSA-N -1 1 306.351 0.280 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CC2CCC1CC2 ZINC001593110251 1167712333 /nfs/dbraw/zinc/71/23/33/1167712333.db2.gz UJSPVEHBLXSVFQ-UHFFFAOYSA-N -1 1 317.357 0.042 20 0 DCADMM O=C(NCc1ccc(CCO)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593136560 1167721530 /nfs/dbraw/zinc/72/15/30/1167721530.db2.gz HZEDWHVTZDCUKT-UHFFFAOYSA-N -1 1 324.344 0.727 20 0 DCADMM O=C(NCc1ccc(CCO)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593136560 1167721536 /nfs/dbraw/zinc/72/15/36/1167721536.db2.gz HZEDWHVTZDCUKT-UHFFFAOYSA-N -1 1 324.344 0.727 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccnc(F)c1F ZINC001593151890 1167725448 /nfs/dbraw/zinc/72/54/48/1167725448.db2.gz KAEFTVXXDTUUAJ-UHFFFAOYSA-N -1 1 323.288 0.926 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccnc(F)c1F ZINC001593151890 1167725455 /nfs/dbraw/zinc/72/54/55/1167725455.db2.gz KAEFTVXXDTUUAJ-UHFFFAOYSA-N -1 1 323.288 0.926 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H]1C=C[C@H](CO)C1 ZINC001593150269 1167726313 /nfs/dbraw/zinc/72/63/13/1167726313.db2.gz JFHCDOSPNVCDDP-JGVFFNPUSA-N -1 1 321.366 0.059 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H]1C=C[C@H](CO)C1 ZINC001593150269 1167726317 /nfs/dbraw/zinc/72/63/17/1167726317.db2.gz JFHCDOSPNVCDDP-JGVFFNPUSA-N -1 1 321.366 0.059 20 0 DCADMM O=C(NOCCC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593168987 1167730190 /nfs/dbraw/zinc/73/01/90/1167730190.db2.gz HWNLRKZUGBAIRC-UHFFFAOYSA-N -1 1 302.216 0.876 20 0 DCADMM O=C(NOCCC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593168987 1167730199 /nfs/dbraw/zinc/73/01/99/1167730199.db2.gz HWNLRKZUGBAIRC-UHFFFAOYSA-N -1 1 302.216 0.876 20 0 DCADMM O=C(N[C@H]1CCCNC1=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593183146 1167731547 /nfs/dbraw/zinc/73/15/47/1167731547.db2.gz SQRSFFQKVUCRTO-VIFPVBQESA-N -1 1 322.275 0.153 20 0 DCADMM O=C(N[C@H]1CCCNC1=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593183146 1167731554 /nfs/dbraw/zinc/73/15/54/1167731554.db2.gz SQRSFFQKVUCRTO-VIFPVBQESA-N -1 1 322.275 0.153 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]1O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593174689 1167732575 /nfs/dbraw/zinc/73/25/75/1167732575.db2.gz DDLSHJIQGLZULX-GHMZBOCLSA-N -1 1 312.333 0.991 20 0 DCADMM O=C(N[C@H](CO)C(F)(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001593181954 1167732874 /nfs/dbraw/zinc/73/28/74/1167732874.db2.gz BTYKJTMXKHNNKP-ZCFIWIBFSA-N -1 1 307.257 0.581 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccnn1CC1CCC1 ZINC001593199305 1167736393 /nfs/dbraw/zinc/73/63/93/1167736393.db2.gz IIYMNGXQUMFXDY-UHFFFAOYSA-N -1 1 313.325 0.839 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccnn1CC1CCC1 ZINC001593199305 1167736401 /nfs/dbraw/zinc/73/64/01/1167736401.db2.gz IIYMNGXQUMFXDY-UHFFFAOYSA-N -1 1 313.325 0.839 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1CCO ZINC001593243329 1167742749 /nfs/dbraw/zinc/74/27/49/1167742749.db2.gz CULPZMIUPGQIKF-SECBINFHSA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1CCO ZINC001593243329 1167742756 /nfs/dbraw/zinc/74/27/56/1167742756.db2.gz CULPZMIUPGQIKF-SECBINFHSA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnc2n1CCOC2 ZINC001593245050 1167743921 /nfs/dbraw/zinc/74/39/21/1167743921.db2.gz FFKLIWOFIXRHQT-UHFFFAOYSA-N -1 1 312.293 0.241 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnc2n1CCOC2 ZINC001593245050 1167743930 /nfs/dbraw/zinc/74/39/30/1167743930.db2.gz FFKLIWOFIXRHQT-UHFFFAOYSA-N -1 1 312.293 0.241 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N(CCO)CC(F)F ZINC001593242852 1167744538 /nfs/dbraw/zinc/74/45/38/1167744538.db2.gz CTZCZYQNZIOWAV-UHFFFAOYSA-N -1 1 313.268 0.353 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N(CCO)CC(F)F ZINC001593242852 1167744547 /nfs/dbraw/zinc/74/45/47/1167744547.db2.gz CTZCZYQNZIOWAV-UHFFFAOYSA-N -1 1 313.268 0.353 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@@](F)(CO)C1 ZINC001593254348 1167747275 /nfs/dbraw/zinc/74/72/75/1167747275.db2.gz VAZNDIOWGPPTII-LBPRGKRZSA-N -1 1 307.289 0.200 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@@](F)(CO)C1 ZINC001593254348 1167747284 /nfs/dbraw/zinc/74/72/84/1167747284.db2.gz VAZNDIOWGPPTII-LBPRGKRZSA-N -1 1 307.289 0.200 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cccc2c1COCC2 ZINC001593260560 1167747946 /nfs/dbraw/zinc/74/79/46/1167747946.db2.gz OOTCQKHOBQZUKX-UHFFFAOYSA-N -1 1 311.305 0.915 20 0 DCADMM O=C(Nc1ncc2c(c1-c1nn[n-]n1)COCC2)c1ccccn1 ZINC001593267218 1167748291 /nfs/dbraw/zinc/74/82/91/1167748291.db2.gz AWHLLHSQYPKCQD-UHFFFAOYSA-N -1 1 323.316 0.982 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCc2c[nH]nc2C1 ZINC001593268674 1167749945 /nfs/dbraw/zinc/74/99/45/1167749945.db2.gz YHIMPIILHXDQJR-ZCFIWIBFSA-N -1 1 316.350 0.790 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCc2c[nH]nc2C1 ZINC001593268674 1167749949 /nfs/dbraw/zinc/74/99/49/1167749949.db2.gz YHIMPIILHXDQJR-ZCFIWIBFSA-N -1 1 316.350 0.790 20 0 DCADMM O=C([O-])C1(C[NH2+]Cc2csc(-c3nn[n-]n3)c2)CCOCC1 ZINC001593276866 1167751406 /nfs/dbraw/zinc/75/14/06/1167751406.db2.gz VWQHMFDYLMWHCO-UHFFFAOYSA-N -1 1 323.378 0.899 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@H]2O1)c1cccc(-c2nnn[n-]2)n1 ZINC001593285517 1167757452 /nfs/dbraw/zinc/75/74/52/1167757452.db2.gz VKGPAYPLJSXTSL-HOTUBEGUSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@H]2O1)c1cccc(-c2nn[n-]n2)n1 ZINC001593285517 1167757461 /nfs/dbraw/zinc/75/74/61/1167757461.db2.gz VKGPAYPLJSXTSL-HOTUBEGUSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OCCN1CCOCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593289885 1167760818 /nfs/dbraw/zinc/76/08/18/1167760818.db2.gz FXUWMSMIAMPIEM-UHFFFAOYSA-N -1 1 321.312 0.495 20 0 DCADMM O=C(OCCN1CCOCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593289885 1167760825 /nfs/dbraw/zinc/76/08/25/1167760825.db2.gz FXUWMSMIAMPIEM-UHFFFAOYSA-N -1 1 321.312 0.495 20 0 DCADMM O=C(OCC[C@H]1CCCNC1=O)c1coc(-c2nnn[n-]2)c1 ZINC001593286995 1167762003 /nfs/dbraw/zinc/76/20/03/1167762003.db2.gz BKVODWJPPFQAHL-MRVPVSSYSA-N -1 1 305.294 0.533 20 0 DCADMM O=C(OCC[C@H]1CCCNC1=O)c1coc(-c2nn[n-]n2)c1 ZINC001593286995 1167762009 /nfs/dbraw/zinc/76/20/09/1167762009.db2.gz BKVODWJPPFQAHL-MRVPVSSYSA-N -1 1 305.294 0.533 20 0 DCADMM O=C(OC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593286541 1167762220 /nfs/dbraw/zinc/76/22/20/1167762220.db2.gz JJQBXYKFXYKTLC-SSDOTTSWSA-N -1 1 312.307 0.051 20 0 DCADMM O=C(OCC[C@H]1CCOC1=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001593287473 1167762647 /nfs/dbraw/zinc/76/26/47/1167762647.db2.gz LRPSFMGEBFWDDI-MRVPVSSYSA-N -1 1 303.278 0.372 20 0 DCADMM O=C(OCC[C@H]1CCOC1=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001593287473 1167762656 /nfs/dbraw/zinc/76/26/56/1167762656.db2.gz LRPSFMGEBFWDDI-MRVPVSSYSA-N -1 1 303.278 0.372 20 0 DCADMM O=C(OCCO[C@@H]1CCCCO1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593290562 1167764494 /nfs/dbraw/zinc/76/44/94/1167764494.db2.gz PARLBPIVRQCPEW-GFCCVEGCSA-N -1 1 319.321 0.962 20 0 DCADMM O=C(OCCO[C@@H]1CCCCO1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593290562 1167764499 /nfs/dbraw/zinc/76/44/99/1167764499.db2.gz PARLBPIVRQCPEW-GFCCVEGCSA-N -1 1 319.321 0.962 20 0 DCADMM O=C(OCc1nnc2n1CCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593306223 1167767471 /nfs/dbraw/zinc/76/74/71/1167767471.db2.gz QTUGGOIUYMVOHS-UHFFFAOYSA-N -1 1 315.293 0.745 20 0 DCADMM O=C(OCc1nnc2n1CCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593306223 1167767476 /nfs/dbraw/zinc/76/74/76/1167767476.db2.gz QTUGGOIUYMVOHS-UHFFFAOYSA-N -1 1 315.293 0.745 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCC[C@@H](O)C1 ZINC001593327830 1167773035 /nfs/dbraw/zinc/77/30/35/1167773035.db2.gz NWQWLWVTCTWYQP-MRVPVSSYSA-N -1 1 309.276 0.742 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCC[C@@H](O)C1 ZINC001593327830 1167773042 /nfs/dbraw/zinc/77/30/42/1167773042.db2.gz NWQWLWVTCTWYQP-MRVPVSSYSA-N -1 1 309.276 0.742 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1C[C@H](O)C2(CC2)C1 ZINC001593329750 1167774748 /nfs/dbraw/zinc/77/47/48/1167774748.db2.gz WNUJCPGVCIDHQA-JTQLQIEISA-N -1 1 321.287 0.742 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1C[C@H](O)C2(CC2)C1 ZINC001593329750 1167774757 /nfs/dbraw/zinc/77/47/57/1167774757.db2.gz WNUJCPGVCIDHQA-JTQLQIEISA-N -1 1 321.287 0.742 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@@H](C(F)(F)F)C1 ZINC001593338596 1167778874 /nfs/dbraw/zinc/77/88/74/1167778874.db2.gz FLZMMLNEKHPCCA-MRVPVSSYSA-N -1 1 317.227 0.863 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@@H](C(F)(F)F)C1 ZINC001593338596 1167778879 /nfs/dbraw/zinc/77/88/79/1167778879.db2.gz FLZMMLNEKHPCCA-MRVPVSSYSA-N -1 1 317.227 0.863 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCN(C(=O)C2CC2)C1 ZINC001593339716 1167781760 /nfs/dbraw/zinc/78/17/60/1167781760.db2.gz TZERISQBUNFTNP-UHFFFAOYSA-N -1 1 302.294 0.112 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCN(C(=O)C2CC2)C1 ZINC001593339716 1167781769 /nfs/dbraw/zinc/78/17/69/1167781769.db2.gz TZERISQBUNFTNP-UHFFFAOYSA-N -1 1 302.294 0.112 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCOC[C@@H]1CC1CC1 ZINC001593358741 1167784744 /nfs/dbraw/zinc/78/47/44/1167784744.db2.gz MMJBJAAVVNELMV-LBPRGKRZSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCOC[C@@H]1CC1CC1 ZINC001593358741 1167784751 /nfs/dbraw/zinc/78/47/51/1167784751.db2.gz MMJBJAAVVNELMV-LBPRGKRZSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@@H](OCCO)C1 ZINC001593362145 1167788944 /nfs/dbraw/zinc/78/89/44/1167788944.db2.gz IODCOKAVPAFSMV-SECBINFHSA-N -1 1 323.378 0.542 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@@H](OCCO)C1 ZINC001593362145 1167788952 /nfs/dbraw/zinc/78/89/52/1167788952.db2.gz IODCOKAVPAFSMV-SECBINFHSA-N -1 1 323.378 0.542 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@H]1C1OCCO1 ZINC001593371434 1167792321 /nfs/dbraw/zinc/79/23/21/1167792321.db2.gz QSXBKRWABNZZLQ-VIFPVBQESA-N -1 1 321.362 0.906 20 0 DCADMM O=C(C[C@@H]1CCC(=O)NC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001593390579 1167800293 /nfs/dbraw/zinc/80/02/93/1167800293.db2.gz MOLMBPDFZGHEEO-VIFPVBQESA-N -1 1 316.321 0.221 20 0 DCADMM O=C(C[C@@H]1CCC(=O)NC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001593390579 1167800311 /nfs/dbraw/zinc/80/03/11/1167800311.db2.gz MOLMBPDFZGHEEO-VIFPVBQESA-N -1 1 316.321 0.221 20 0 DCADMM O=C1CCCCN1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001593393644 1167806963 /nfs/dbraw/zinc/80/69/63/1167806963.db2.gz REAUZKOXIWXDBR-UHFFFAOYSA-N -1 1 314.349 0.487 20 0 DCADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001593393967 1167807709 /nfs/dbraw/zinc/80/77/09/1167807709.db2.gz ONBUDAMHCSABMK-UAINPKIQSA-N -1 1 305.319 0.592 20 0 DCADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001593393967 1167807718 /nfs/dbraw/zinc/80/77/18/1167807718.db2.gz ONBUDAMHCSABMK-UAINPKIQSA-N -1 1 305.319 0.592 20 0 DCADMM O=C1N[C@@H]2CN(c3ccnc(-c4nnn[n-]4)c3)CC[C@H]2CO1 ZINC001593410083 1167818463 /nfs/dbraw/zinc/81/84/63/1167818463.db2.gz AZTSBZMNHRDCSD-GZMMTYOYSA-N -1 1 301.310 0.196 20 0 DCADMM O=C1N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)c3)CC[C@H]2CO1 ZINC001593410083 1167818472 /nfs/dbraw/zinc/81/84/72/1167818472.db2.gz AZTSBZMNHRDCSD-GZMMTYOYSA-N -1 1 301.310 0.196 20 0 DCADMM O=C1OCCN1C1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001593415063 1167829538 /nfs/dbraw/zinc/82/95/38/1167829538.db2.gz UXWQZNPBLWYVPY-UHFFFAOYSA-N -1 1 315.337 0.683 20 0 DCADMM O=C1OCCN1C1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001593415063 1167829557 /nfs/dbraw/zinc/82/95/57/1167829557.db2.gz UXWQZNPBLWYVPY-UHFFFAOYSA-N -1 1 315.337 0.683 20 0 DCADMM O=S(=O)(Cc1ccno1)Oc1cccnc1-c1nn[n-]n1 ZINC001593428560 1167836535 /nfs/dbraw/zinc/83/65/35/1167836535.db2.gz IQXNAJZZKJFMRR-UHFFFAOYSA-N -1 1 308.279 0.159 20 0 DCADMM O=S(=O)(N[C@]12C[C@H]1CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593434892 1167838733 /nfs/dbraw/zinc/83/87/33/1167838733.db2.gz SVCDCVBAAWLWNW-NOZJJQNGSA-N -1 1 320.378 0.873 20 0 DCADMM O=S(=O)(N[C@]12C[C@H]1CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593434892 1167838740 /nfs/dbraw/zinc/83/87/40/1167838740.db2.gz SVCDCVBAAWLWNW-NOZJJQNGSA-N -1 1 320.378 0.873 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](O)C1 ZINC001593453964 1167844475 /nfs/dbraw/zinc/84/44/75/1167844475.db2.gz FLKAVSBVVVKUKA-SSDOTTSWSA-N -1 1 315.380 0.074 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](O)C1 ZINC001593453964 1167844487 /nfs/dbraw/zinc/84/44/87/1167844487.db2.gz FLKAVSBVVVKUKA-SSDOTTSWSA-N -1 1 315.380 0.074 20 0 DCADMM O=[S@@]1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001593467465 1167853470 /nfs/dbraw/zinc/85/34/70/1167853470.db2.gz YBTVUQTZCTXBFF-QEZFPQCOSA-N -1 1 316.799 0.686 20 0 DCADMM O=C1N=NC(C2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)O1 ZINC001593489542 1167870291 /nfs/dbraw/zinc/87/02/91/1167870291.db2.gz BVXLCGBKOCICBA-UHFFFAOYSA-N -1 1 315.297 0.129 20 0 DCADMM O=c1[nH]c2ccccc2n1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001593489633 1167874064 /nfs/dbraw/zinc/87/40/64/1167874064.db2.gz SAJLOASMWDYTFJ-UHFFFAOYSA-N -1 1 323.320 0.824 20 0 DCADMM O=c1[nH]c2ccccc2n1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001593489633 1167874074 /nfs/dbraw/zinc/87/40/74/1167874074.db2.gz SAJLOASMWDYTFJ-UHFFFAOYSA-N -1 1 323.320 0.824 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@@H]1CCC2(CCC2)O1 ZINC001593489739 1167874370 /nfs/dbraw/zinc/87/43/70/1167874370.db2.gz YGSOTNQNFQACMP-QMMMGPOBSA-N -1 1 304.310 0.231 20 0 DCADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1CCC1(O)CC1 ZINC001593492586 1167876989 /nfs/dbraw/zinc/87/69/89/1167876989.db2.gz KWUGYVIZVVVTFJ-UHFFFAOYSA-N -1 1 315.255 0.962 20 0 DCADMM O[C@@H](COc1cccnc1-c1nnn[n-]1)CC1(O)CCCC1 ZINC001593511965 1167892357 /nfs/dbraw/zinc/89/23/57/1167892357.db2.gz NLZNCOPNKKTGAO-SNVBAGLBSA-N -1 1 305.338 0.697 20 0 DCADMM O[C@@H](COc1cccnc1-c1nn[n-]n1)CC1(O)CCCC1 ZINC001593511965 1167892360 /nfs/dbraw/zinc/89/23/60/1167892360.db2.gz NLZNCOPNKKTGAO-SNVBAGLBSA-N -1 1 305.338 0.697 20 0 DCADMM OC[C@H](Cc1ccc(F)cc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593521519 1167894151 /nfs/dbraw/zinc/89/41/51/1167894151.db2.gz VSCRWLLLWKHWQL-ZDUSSCGKSA-N -1 1 314.324 0.838 20 0 DCADMM OC[C@H](Cc1ccc(F)cc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593521519 1167894159 /nfs/dbraw/zinc/89/41/59/1167894159.db2.gz VSCRWLLLWKHWQL-ZDUSSCGKSA-N -1 1 314.324 0.838 20 0 DCADMM OC[C@@H](CCF)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001593520733 1167896046 /nfs/dbraw/zinc/89/60/46/1167896046.db2.gz HGRKWOWXNIHOLT-MRVPVSSYSA-N -1 1 303.301 0.942 20 0 DCADMM OC[C@@H](CCF)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001593520733 1167896051 /nfs/dbraw/zinc/89/60/51/1167896051.db2.gz HGRKWOWXNIHOLT-MRVPVSSYSA-N -1 1 303.301 0.942 20 0 DCADMM OCC[C@H]1CSCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593530863 1167906739 /nfs/dbraw/zinc/90/67/39/1167906739.db2.gz XYLIMTIZCUNEQN-QMMMGPOBSA-N -1 1 312.424 0.623 20 0 DCADMM OCC[C@H]1CSCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593530863 1167906745 /nfs/dbraw/zinc/90/67/45/1167906745.db2.gz XYLIMTIZCUNEQN-QMMMGPOBSA-N -1 1 312.424 0.623 20 0 DCADMM OCCCOC1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001593531041 1167907031 /nfs/dbraw/zinc/90/70/31/1167907031.db2.gz FYSXPIARVGEWHN-UHFFFAOYSA-N -1 1 304.354 0.630 20 0 DCADMM OCCCOC1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001593531041 1167907037 /nfs/dbraw/zinc/90/70/37/1167907037.db2.gz FYSXPIARVGEWHN-UHFFFAOYSA-N -1 1 304.354 0.630 20 0 DCADMM c1cc(-c2nnn[n-]2)nc(N2CCO[C@@]3(CCCOC3)C2)c1 ZINC001593550485 1167933876 /nfs/dbraw/zinc/93/38/76/1167933876.db2.gz WPHQELJWHUBBRS-AWEZNQCLSA-N -1 1 302.338 0.648 20 0 DCADMM c1cc(-c2nn[n-]n2)nc(N2CCO[C@@]3(CCCOC3)C2)c1 ZINC001593550485 1167933884 /nfs/dbraw/zinc/93/38/84/1167933884.db2.gz WPHQELJWHUBBRS-AWEZNQCLSA-N -1 1 302.338 0.648 20 0 DCADMM c1cc(CO[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001593557297 1167934189 /nfs/dbraw/zinc/93/41/89/1167934189.db2.gz NNTYDIMNHUXQJE-GFCCVEGCSA-N -1 1 324.348 0.847 20 0 DCADMM c1cc(CO[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001593557297 1167934202 /nfs/dbraw/zinc/93/42/02/1167934202.db2.gz NNTYDIMNHUXQJE-GFCCVEGCSA-N -1 1 324.348 0.847 20 0 DCADMM c1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)nc(-c2nn[n-]n2)n1 ZINC001593559046 1167938516 /nfs/dbraw/zinc/93/85/16/1167938516.db2.gz SVPSKHJZJGPHQL-JLLWLGSASA-N -1 1 313.365 0.838 20 0 DCADMM c1ccc(CN2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001593573922 1167944259 /nfs/dbraw/zinc/94/42/59/1167944259.db2.gz HDBOYJABSSQMGK-UHFFFAOYSA-N -1 1 323.364 0.374 20 0 DCADMM c1cn(C[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001593582964 1167949931 /nfs/dbraw/zinc/94/99/31/1167949931.db2.gz IAVDEMFRRQXSQX-JTQLQIEISA-N -1 1 312.341 0.165 20 0 DCADMM c1cn(C[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001593582964 1167949938 /nfs/dbraw/zinc/94/99/38/1167949938.db2.gz IAVDEMFRRQXSQX-JTQLQIEISA-N -1 1 312.341 0.165 20 0 DCADMM c1nc(-c2nn[n-]n2)nn1CCNc1nc(C2CCC2)no1 ZINC001593590075 1167952296 /nfs/dbraw/zinc/95/22/96/1167952296.db2.gz FCEOVXFPZMQSMG-UHFFFAOYSA-N -1 1 302.302 0.221 20 0 DCADMM c1nc(N2CCC3(CC2)OCCCO3)cnc1-c1nnn[n-]1 ZINC001593591313 1167954133 /nfs/dbraw/zinc/95/41/33/1167954133.db2.gz MUGYVNIUZFZLDP-UHFFFAOYSA-N -1 1 303.326 0.390 20 0 DCADMM c1nc(N2CCC3(CC2)OCCCO3)cnc1-c1nn[n-]n1 ZINC001593591313 1167954137 /nfs/dbraw/zinc/95/41/37/1167954137.db2.gz MUGYVNIUZFZLDP-UHFFFAOYSA-N -1 1 303.326 0.390 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)c1cn(Cc2ccccc2)nn1 ZINC001593856796 1167962645 /nfs/dbraw/zinc/96/26/45/1167962645.db2.gz LWKFHYNEZVSDFV-UHFFFAOYSA-N -1 1 324.348 0.649 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)[C@H](C(=O)[O-])C1 ZINC001598795139 1168035564 /nfs/dbraw/zinc/03/55/64/1168035564.db2.gz DDNYVNVBVWJVGJ-KOLCDFICSA-N -1 1 321.333 0.766 20 0 DCADMM Cc1cc(C(F)F)n(CC(=O)N2CCN(CC(=O)[O-])CC2)n1 ZINC001600144798 1168127042 /nfs/dbraw/zinc/12/70/42/1168127042.db2.gz VMHGEZZHFSAKDY-UHFFFAOYSA-N -1 1 316.308 0.358 20 0 DCADMM Cc1cc(CC(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])[nH]n1 ZINC001600187002 1168132018 /nfs/dbraw/zinc/13/20/18/1168132018.db2.gz 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ZINC001605174419 1169858484 /nfs/dbraw/zinc/85/84/84/1169858484.db2.gz VWSTWRGJLAFWGU-NSHDSACASA-N -1 1 307.350 0.099 20 0 DCADMM COc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)nn2)c(OC)c1 ZINC001605255318 1169882567 /nfs/dbraw/zinc/88/25/67/1169882567.db2.gz KUXTUACHFFOPDP-UHFFFAOYSA-N -1 1 315.293 0.358 20 0 DCADMM CCCCNC(=O)[C@@H]1CCCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC001605281018 1169886055 /nfs/dbraw/zinc/88/60/55/1169886055.db2.gz MCDDMMRMBJVRHZ-VXGBXAGGSA-N -1 1 313.398 0.204 20 0 DCADMM CCCN(C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)[C@H]1CCN(C)C1 ZINC001605299570 1169890213 /nfs/dbraw/zinc/89/02/13/1169890213.db2.gz PUIGSVJNJWDRBE-OLZOCXBDSA-N -1 1 323.393 0.219 20 0 DCADMM COc1ccccc1[C@@H](O)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001605330034 1169897020 /nfs/dbraw/zinc/89/70/20/1169897020.db2.gz HRCXKEOUQFDJOU-SNVBAGLBSA-N -1 1 315.293 0.271 20 0 DCADMM COc1ccccc1[C@@H](O)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001605330034 1169897028 /nfs/dbraw/zinc/89/70/28/1169897028.db2.gz HRCXKEOUQFDJOU-SNVBAGLBSA-N -1 1 315.293 0.271 20 0 DCADMM CS(=O)(=O)CCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001605354409 1169903139 /nfs/dbraw/zinc/90/31/39/1169903139.db2.gz QOSPWRGSUZDHFW-UHFFFAOYSA-N -1 1 323.382 0.381 20 0 DCADMM CS(=O)(=O)CCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001605354409 1169903144 /nfs/dbraw/zinc/90/31/44/1169903144.db2.gz QOSPWRGSUZDHFW-UHFFFAOYSA-N -1 1 323.382 0.381 20 0 DCADMM CSC[C@@](C)(O)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001605372170 1169906499 /nfs/dbraw/zinc/90/64/99/1169906499.db2.gz LBJINUSQRNGROR-LBPRGKRZSA-N -1 1 308.367 0.106 20 0 DCADMM CSC[C@@](C)(O)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001605372170 1169906503 /nfs/dbraw/zinc/90/65/03/1169906503.db2.gz LBJINUSQRNGROR-LBPRGKRZSA-N -1 1 308.367 0.106 20 0 DCADMM C[C@@H]1[C@H](C(F)(F)F)OCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001605431839 1169918850 /nfs/dbraw/zinc/91/88/50/1169918850.db2.gz JVXJGBLGQUUOPN-HZGVNTEJSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1[C@H](C(F)(F)F)OCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001605431839 1169918855 /nfs/dbraw/zinc/91/88/55/1169918855.db2.gz JVXJGBLGQUUOPN-HZGVNTEJSA-N -1 1 315.259 0.813 20 0 DCADMM CCN1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)[C@H](C)C1 ZINC001605482291 1169936015 /nfs/dbraw/zinc/93/60/15/1169936015.db2.gz PWKDVOYULMWPAP-LLVKDONJSA-N -1 1 306.366 0.744 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)CCCCO ZINC001605505201 1169941975 /nfs/dbraw/zinc/94/19/75/1169941975.db2.gz XKGIZVDWNKBCCW-UHFFFAOYSA-N -1 1 306.326 0.120 20 0 DCADMM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1oncc1C(=O)[O-] ZINC001605535068 1169951432 /nfs/dbraw/zinc/95/14/32/1169951432.db2.gz NPQLUPKEPCFBEU-ZJUUUORDSA-N -1 1 312.322 0.915 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2[C@@H](C)CO)n1 ZINC001605561029 1169960878 /nfs/dbraw/zinc/96/08/78/1169960878.db2.gz PGEKOPJLYQQCRL-JOYOIKCWSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2[C@@H](C)CO)n1 ZINC001605561029 1169960884 /nfs/dbraw/zinc/96/08/84/1169960884.db2.gz PGEKOPJLYQQCRL-JOYOIKCWSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nnc2n1CCN(c1nc(C)cc(-c3nnn[n-]3)n1)[C@H]2C ZINC001605565360 1169962708 /nfs/dbraw/zinc/96/27/08/1169962708.db2.gz FNXUSXQMEXJKMS-QMMMGPOBSA-N -1 1 312.341 0.446 20 0 DCADMM Cc1nnc2n1CCN(c1nc(C)cc(-c3nn[n-]n3)n1)[C@H]2C ZINC001605565360 1169962714 /nfs/dbraw/zinc/96/27/14/1169962714.db2.gz FNXUSXQMEXJKMS-QMMMGPOBSA-N -1 1 312.341 0.446 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)[C@H](C)C(C)C)n1 ZINC001605579202 1169963863 /nfs/dbraw/zinc/96/38/63/1169963863.db2.gz PZALCGAZLVSKOJ-SNVBAGLBSA-N -1 1 318.385 0.785 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)[C@H](C)C(C)C)n1 ZINC001605579202 1169963867 /nfs/dbraw/zinc/96/38/67/1169963867.db2.gz PZALCGAZLVSKOJ-SNVBAGLBSA-N -1 1 318.385 0.785 20 0 DCADMM Cc1cc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)no1 ZINC001605663954 1169983730 /nfs/dbraw/zinc/98/37/30/1169983730.db2.gz XBLPJQGTMGQDOU-SSDOTTSWSA-N -1 1 304.270 0.059 20 0 DCADMM CCOc1ccccc1NC(=O)CN[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001605714636 1169991391 /nfs/dbraw/zinc/99/13/91/1169991391.db2.gz PYYUQPWWUXYELY-RISCZKNCSA-N -1 1 308.334 0.856 20 0 DCADMM Cc1cc(N[C@H](C)C(=O)NC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001605722093 1169992930 /nfs/dbraw/zinc/99/29/30/1169992930.db2.gz YCLSACUHCVMLEE-SECBINFHSA-N -1 1 303.370 0.707 20 0 DCADMM Cc1cc(N[C@H](C)C(=O)NC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001605722093 1169992933 /nfs/dbraw/zinc/99/29/33/1169992933.db2.gz YCLSACUHCVMLEE-SECBINFHSA-N -1 1 303.370 0.707 20 0 DCADMM CCS(=O)(=O)NCCNCc1ccccc1OCC(=O)[O-] ZINC001605728086 1169994297 /nfs/dbraw/zinc/99/42/97/1169994297.db2.gz VVSWVHCUFFPNQP-UHFFFAOYSA-N -1 1 316.379 0.179 20 0 DCADMM CCc1[nH]c(CNCCS(=O)(=O)C2CC2)cc1C(=O)[O-] ZINC001605774207 1169998977 /nfs/dbraw/zinc/99/89/77/1169998977.db2.gz MNIBMJNSBGSNPW-UHFFFAOYSA-N -1 1 300.380 0.942 20 0 DCADMM CCc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)nn1C ZINC001605785397 1170000540 /nfs/dbraw/zinc/00/05/40/1170000540.db2.gz ZBPXNXKZLQSZGC-NSHDSACASA-N -1 1 308.382 0.604 20 0 DCADMM CCc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c(C)nn1 ZINC001605787773 1170000966 /nfs/dbraw/zinc/00/09/66/1170000966.db2.gz RRMHTCXXCTZFQP-LBPRGKRZSA-N -1 1 303.322 0.496 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(CC(C)C)C(=O)C1 ZINC001605802968 1170004399 /nfs/dbraw/zinc/00/43/99/1170004399.db2.gz ROMWZQHKIFCNDZ-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(CC(C)C)C(=O)C1 ZINC001605802968 1170004410 /nfs/dbraw/zinc/00/44/10/1170004410.db2.gz ROMWZQHKIFCNDZ-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM Cc1ccc(N2CCC(OCC(N)=O)CC2)c(-c2nnn[n-]2)n1 ZINC001605865413 1170016087 /nfs/dbraw/zinc/01/60/87/1170016087.db2.gz WJQDJMLDZGFFOV-UHFFFAOYSA-N -1 1 317.353 0.041 20 0 DCADMM Cc1ccc(N2CCC(OCC(N)=O)CC2)c(-c2nn[n-]n2)n1 ZINC001605865413 1170016093 /nfs/dbraw/zinc/01/60/93/1170016093.db2.gz WJQDJMLDZGFFOV-UHFFFAOYSA-N -1 1 317.353 0.041 20 0 DCADMM Cc1ccc(N2CCC3(CNC(=O)O3)CC2)c(-c2nnn[n-]2)n1 ZINC001605864533 1170016847 /nfs/dbraw/zinc/01/68/47/1170016847.db2.gz HSQAPPPGUXLYKZ-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM Cc1ccc(N2CCC3(CNC(=O)O3)CC2)c(-c2nn[n-]n2)n1 ZINC001605864533 1170016851 /nfs/dbraw/zinc/01/68/51/1170016851.db2.gz HSQAPPPGUXLYKZ-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM Cc1ccc(N[C@@H]2CC(=O)N(CC3CC3)C2)nc1-c1nnn[n-]1 ZINC001605872323 1170017575 /nfs/dbraw/zinc/01/75/75/1170017575.db2.gz VMYLFEPDJCFHAV-LLVKDONJSA-N -1 1 313.365 0.993 20 0 DCADMM Cc1ccc(N[C@@H]2CC(=O)N(CC3CC3)C2)nc1-c1nn[n-]n1 ZINC001605872323 1170017577 /nfs/dbraw/zinc/01/75/77/1170017577.db2.gz VMYLFEPDJCFHAV-LLVKDONJSA-N -1 1 313.365 0.993 20 0 DCADMM Cc1cccc(CC(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001605913995 1170025401 /nfs/dbraw/zinc/02/54/01/1170025401.db2.gz UOHONNQNXQZKQZ-UHFFFAOYSA-N -1 1 312.337 0.126 20 0 DCADMM Cc1[nH]nc(NC(=O)C(=O)c2cccn2C)c1-c1nn[n-]n1 ZINC001606013721 1170048608 /nfs/dbraw/zinc/04/86/08/1170048608.db2.gz WPPXBMICYKLPHW-UHFFFAOYSA-N -1 1 300.282 0.058 20 0 DCADMM Cc1nc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC001606034972 1170059972 /nfs/dbraw/zinc/05/99/72/1170059972.db2.gz LNZIYZREHCDSOA-LURJTMIESA-N -1 1 300.282 0.444 20 0 DCADMM Cc1nc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC001606034972 1170059977 /nfs/dbraw/zinc/05/99/77/1170059977.db2.gz LNZIYZREHCDSOA-LURJTMIESA-N -1 1 300.282 0.444 20 0 DCADMM CN(CC(=O)Nc1cccc(CC(=O)[O-])n1)[C@@H]1CCC[C@H]1O ZINC001606085134 1170073041 /nfs/dbraw/zinc/07/30/41/1170073041.db2.gz JYZQPRDCPJSZTL-VXGBXAGGSA-N -1 1 307.350 0.492 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCCSC2)c1-c1nnn[n-]1 ZINC001606110136 1170078870 /nfs/dbraw/zinc/07/88/70/1170078870.db2.gz MDPJGTUTEDEVDZ-MRVPVSSYSA-N -1 1 307.383 0.990 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCCSC2)c1-c1nn[n-]n1 ZINC001606110136 1170078875 /nfs/dbraw/zinc/07/88/75/1170078875.db2.gz MDPJGTUTEDEVDZ-MRVPVSSYSA-N -1 1 307.383 0.990 20 0 DCADMM Cc1nn(C[C@H]2C[C@@]23CCOC3)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114405 1170078959 /nfs/dbraw/zinc/07/89/59/1170078959.db2.gz MUSYRQMXOWWGHJ-QMTHXVAHSA-N -1 1 302.338 0.467 20 0 DCADMM Cc1nn(C)c(NC(=O)C[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC001606112130 1170079991 /nfs/dbraw/zinc/07/99/91/1170079991.db2.gz CBKYTGCEMJPSJY-SECBINFHSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1nn(C)c(NC(=O)C[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC001606112130 1170080003 /nfs/dbraw/zinc/08/00/03/1170080003.db2.gz CBKYTGCEMJPSJY-SECBINFHSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1nn(CCCn2ccnc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114590 1170081887 /nfs/dbraw/zinc/08/18/87/1170081887.db2.gz XFIRMCRSKUYHOU-UHFFFAOYSA-N -1 1 300.326 0.327 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)[nH]1 ZINC001606119966 1170082605 /nfs/dbraw/zinc/08/26/05/1170082605.db2.gz USINZCARWHZPIK-YFKPBYRVSA-N -1 1 302.298 0.686 20 0 DCADMM CN(CCNC(=O)[C@@H]1CCCCN1C)c1ccnc(C(=O)[O-])n1 ZINC001606131025 1170088235 /nfs/dbraw/zinc/08/82/35/1170088235.db2.gz JMUUIVKETIDMTA-NSHDSACASA-N -1 1 321.381 0.212 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2C[C@@H](C)OC2=O)c1-c1nnn[n-]1 ZINC001606151995 1170095073 /nfs/dbraw/zinc/09/50/73/1170095073.db2.gz MAMXTTLDAUIQCR-INEUFUBQSA-N -1 1 323.338 0.457 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2C[C@@H](C)OC2=O)c1-c1nn[n-]n1 ZINC001606151995 1170095082 /nfs/dbraw/zinc/09/50/82/1170095082.db2.gz MAMXTTLDAUIQCR-INEUFUBQSA-N -1 1 323.338 0.457 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCn2cncc2C1 ZINC001606167809 1170099973 /nfs/dbraw/zinc/09/99/73/1170099973.db2.gz XSLDEYBXRZQKMP-SECBINFHSA-N -1 1 313.321 0.709 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCn2cncc2C1 ZINC001606167809 1170099975 /nfs/dbraw/zinc/09/99/75/1170099975.db2.gz XSLDEYBXRZQKMP-SECBINFHSA-N -1 1 313.321 0.709 20 0 DCADMM Cc1onc(CC(=O)NCC2CC(F)(F)C2)c1-c1nnn[n-]1 ZINC001606180106 1170103762 /nfs/dbraw/zinc/10/37/62/1170103762.db2.gz APMSSAYGXPXFBS-UHFFFAOYSA-N -1 1 312.280 0.867 20 0 DCADMM Cc1onc(CC(=O)NCC2CC(F)(F)C2)c1-c1nn[n-]n1 ZINC001606180106 1170103768 /nfs/dbraw/zinc/10/37/68/1170103768.db2.gz APMSSAYGXPXFBS-UHFFFAOYSA-N -1 1 312.280 0.867 20 0 DCADMM Cc1onc(CC(=O)N[C@]23CCC[C@H]2OCC3)c1-c1nnn[n-]1 ZINC001606180151 1170104818 /nfs/dbraw/zinc/10/48/18/1170104818.db2.gz FQFPLQSRBGTHBW-YGRLFVJLSA-N -1 1 318.337 0.533 20 0 DCADMM Cc1onc(CC(=O)N[C@]23CCC[C@H]2OCC3)c1-c1nn[n-]n1 ZINC001606180151 1170104821 /nfs/dbraw/zinc/10/48/21/1170104821.db2.gz FQFPLQSRBGTHBW-YGRLFVJLSA-N -1 1 318.337 0.533 20 0 DCADMM Cn1cc(C(=O)O[C@@H]2C[C@@H](C(=O)[O-])[N@@H+](C)C2)c(C(F)(F)F)n1 ZINC001606210996 1170116217 /nfs/dbraw/zinc/11/62/17/1170116217.db2.gz ZQZZNHWVDRTVRO-SVRRBLITSA-N -1 1 321.255 0.753 20 0 DCADMM CN1CC[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001606215436 1170119030 /nfs/dbraw/zinc/11/90/30/1170119030.db2.gz JJUVECROUYIUPG-NSHDSACASA-N -1 1 323.324 0.212 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cn3c(n2)CCCC3)n1 ZINC001606222371 1170121495 /nfs/dbraw/zinc/12/14/95/1170121495.db2.gz DJLWDXHZZXNXDA-UHFFFAOYSA-N -1 1 313.325 0.385 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cn3c(n2)CCCC3)n1 ZINC001606222371 1170121497 /nfs/dbraw/zinc/12/14/97/1170121497.db2.gz DJLWDXHZZXNXDA-UHFFFAOYSA-N -1 1 313.325 0.385 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccnc(Cl)c2)n1 ZINC001606222665 1170121936 /nfs/dbraw/zinc/12/19/36/1170121936.db2.gz NKKIMGLWPLBKEJ-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccnc(Cl)c2)n1 ZINC001606222665 1170121937 /nfs/dbraw/zinc/12/19/37/1170121937.db2.gz NKKIMGLWPLBKEJ-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1cc(CC2CN(C(=O)c3coc(-c4nnn[n-]4)c3)C2)cn1 ZINC001606240052 1170131859 /nfs/dbraw/zinc/13/18/59/1170131859.db2.gz GMNCGQHXXCKYNF-UHFFFAOYSA-N -1 1 313.321 0.508 20 0 DCADMM Cn1cc(CC2CN(C(=O)c3coc(-c4nn[n-]n4)c3)C2)cn1 ZINC001606240052 1170131863 /nfs/dbraw/zinc/13/18/63/1170131863.db2.gz GMNCGQHXXCKYNF-UHFFFAOYSA-N -1 1 313.321 0.508 20 0 DCADMM Cn1ccc(CCNC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001606249355 1170135369 /nfs/dbraw/zinc/13/53/69/1170135369.db2.gz DDWRQEBWRVFXKX-UHFFFAOYSA-N -1 1 315.312 0.712 20 0 DCADMM Cn1ccc(CCNC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001606249355 1170135375 /nfs/dbraw/zinc/13/53/75/1170135375.db2.gz DDWRQEBWRVFXKX-UHFFFAOYSA-N -1 1 315.312 0.712 20 0 DCADMM CNC(=O)[C@]1(C)CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001606264210 1170140360 /nfs/dbraw/zinc/14/03/60/1170140360.db2.gz WNXDRNLSSOZFJM-MRXNPFEDSA-N -1 1 319.361 0.781 20 0 DCADMM Cn1cnc(CCNC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001606262879 1170140662 /nfs/dbraw/zinc/14/06/62/1170140662.db2.gz ALUHSDWQEALOFZ-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1cnc(CCNC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001606262879 1170140666 /nfs/dbraw/zinc/14/06/66/1170140666.db2.gz ALUHSDWQEALOFZ-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM COC(=O)C1(O)CCN([C@H](C(=O)[O-])c2cccc(OC)c2)CC1 ZINC001606357084 1170168941 /nfs/dbraw/zinc/16/89/41/1170168941.db2.gz NOXZEDVBFAGZFN-ZDUSSCGKSA-N -1 1 323.345 0.821 20 0 DCADMM COC(=O)[C@@H]1CCN(Cc2n[nH]c(C(C)(C)C)n2)[C@H](C(=O)[O-])C1 ZINC001606414032 1170191169 /nfs/dbraw/zinc/19/11/69/1170191169.db2.gz LIOCGNDYZJQGJT-ZJUUUORDSA-N -1 1 324.381 0.940 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ncccc1C(F)(F)F ZINC001606446304 1170206153 /nfs/dbraw/zinc/20/61/53/1170206153.db2.gz MMHZAMJFOZDACO-UHFFFAOYSA-N -1 1 324.226 0.748 20 0 DCADMM Nc1ccc(F)cc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606452492 1170209172 /nfs/dbraw/zinc/20/91/72/1170209172.db2.gz ZMYKKDVPBJYSSC-UHFFFAOYSA-N -1 1 319.325 0.975 20 0 DCADMM Nc1ccc(F)cc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606452492 1170209180 /nfs/dbraw/zinc/20/91/80/1170209180.db2.gz ZMYKKDVPBJYSSC-UHFFFAOYSA-N -1 1 319.325 0.975 20 0 DCADMM COC(=O)c1cc(CN2CCN(C)C[C@H]2CO)cc(C(=O)[O-])c1 ZINC001606541691 1170230888 /nfs/dbraw/zinc/23/08/88/1170230888.db2.gz IEOXTNMNAQYWAP-AWEZNQCLSA-N -1 1 322.361 0.280 20 0 DCADMM COC(=O)c1cc(CN2CC[C@@H](CO)[C@H](O)C2)cc(C(=O)[O-])c1 ZINC001606542330 1170231634 /nfs/dbraw/zinc/23/16/34/1170231634.db2.gz WWNQIAFITABMIT-SMDDNHRTSA-N -1 1 323.345 0.347 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(F)nn1 ZINC001606596794 1170240662 /nfs/dbraw/zinc/24/06/62/1170240662.db2.gz WRDNTVFDVZEVFU-UHFFFAOYSA-N -1 1 300.257 0.372 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(F)nn1 ZINC001606596794 1170240668 /nfs/dbraw/zinc/24/06/68/1170240668.db2.gz WRDNTVFDVZEVFU-UHFFFAOYSA-N -1 1 300.257 0.372 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H]1CCC[C@H]1C1CC1 ZINC001606620080 1170244912 /nfs/dbraw/zinc/24/49/12/1170244912.db2.gz AFQPQOOQOWMSFF-MNOVXSKESA-N -1 1 316.369 0.401 20 0 DCADMM O=C(N[C@H]1CCn2cncc21)c1ccsc1-c1nnn[n-]1 ZINC001606686946 1170261932 /nfs/dbraw/zinc/26/19/32/1170261932.db2.gz QVXQUANPOPNLSM-QMMMGPOBSA-N -1 1 301.335 1.000 20 0 DCADMM O=C(N[C@H]1CCn2cncc21)c1ccsc1-c1nn[n-]n1 ZINC001606686946 1170261935 /nfs/dbraw/zinc/26/19/35/1170261935.db2.gz QVXQUANPOPNLSM-QMMMGPOBSA-N -1 1 301.335 1.000 20 0 DCADMM CO[C@@]1(C(=O)[O-])CCN([C@@H](C)C(=O)NCc2cccs2)C1 ZINC001606703847 1170268215 /nfs/dbraw/zinc/26/82/15/1170268215.db2.gz SJVWNRKCKNCPTO-HZMBPMFUSA-N -1 1 312.391 0.928 20 0 DCADMM O=C(NCCCn1cccn1)c1ccsc1-c1nnn[n-]1 ZINC001606775877 1170287043 /nfs/dbraw/zinc/28/70/43/1170287043.db2.gz MJGCIPRAEDZBIC-UHFFFAOYSA-N -1 1 303.351 0.945 20 0 DCADMM O=C(NCCCn1cccn1)c1ccsc1-c1nn[n-]n1 ZINC001606775877 1170287047 /nfs/dbraw/zinc/28/70/47/1170287047.db2.gz MJGCIPRAEDZBIC-UHFFFAOYSA-N -1 1 303.351 0.945 20 0 DCADMM O=C(NCCNc1ncccn1)c1coc(-c2nnn[n-]2)c1 ZINC001606787338 1170290184 /nfs/dbraw/zinc/29/01/84/1170290184.db2.gz YPBKZUDTZGBQAR-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCNc1ncccn1)c1coc(-c2nn[n-]n2)c1 ZINC001606787338 1170290188 /nfs/dbraw/zinc/29/01/88/1170290188.db2.gz YPBKZUDTZGBQAR-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1cc2ccccn2c1 ZINC001606801954 1170294291 /nfs/dbraw/zinc/29/42/91/1170294291.db2.gz GIVGEVJZGGVMJE-UHFFFAOYSA-N -1 1 323.320 0.141 20 0 DCADMM O=C(NCc1cc(=O)cc[nH]1)c1csc(-c2nn[n-]n2)c1 ZINC001606816881 1170300455 /nfs/dbraw/zinc/30/04/55/1170300455.db2.gz YVURWCQXJJCMTN-UHFFFAOYSA-N -1 1 302.319 0.547 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H](CO)C1CCC1 ZINC001606844478 1170310403 /nfs/dbraw/zinc/31/04/03/1170310403.db2.gz PODHALGVNHWRNV-QMMMGPOBSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H](CO)C1CCC1 ZINC001606844478 1170310409 /nfs/dbraw/zinc/31/04/09/1170310409.db2.gz PODHALGVNHWRNV-QMMMGPOBSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1cnn(CCF)c1)c1coc(-c2nnn[n-]2)c1 ZINC001606843615 1170311187 /nfs/dbraw/zinc/31/11/87/1170311187.db2.gz ZHMUJJTTZHYHDG-UHFFFAOYSA-N -1 1 305.273 0.556 20 0 DCADMM O=C(NCc1cnn(CCF)c1)c1coc(-c2nn[n-]n2)c1 ZINC001606843615 1170311193 /nfs/dbraw/zinc/31/11/93/1170311193.db2.gz ZHMUJJTTZHYHDG-UHFFFAOYSA-N -1 1 305.273 0.556 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CC=C[C@H]1CO ZINC001607006867 1170352723 /nfs/dbraw/zinc/35/27/23/1170352723.db2.gz OFZZGCBLGIMPFL-QMMMGPOBSA-N -1 1 307.260 0.518 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CC=C[C@H]1CO ZINC001607006867 1170352730 /nfs/dbraw/zinc/35/27/30/1170352730.db2.gz OFZZGCBLGIMPFL-QMMMGPOBSA-N -1 1 307.260 0.518 20 0 DCADMM COc1c(C(=O)[O-])ncnc1N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC001607010812 1170353590 /nfs/dbraw/zinc/35/35/90/1170353590.db2.gz CGLOAZSDXLTXMZ-SNVBAGLBSA-N -1 1 324.381 0.465 20 0 DCADMM COc1c(C(=O)[O-])ncnc1N1CCC[C@H](c2nc[nH]n2)C1 ZINC001607011951 1170354479 /nfs/dbraw/zinc/35/44/79/1170354479.db2.gz YYKLFXZMQJEWRV-QMMMGPOBSA-N -1 1 304.310 0.686 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCCC[C@@H]1CO ZINC001607017191 1170356461 /nfs/dbraw/zinc/35/64/61/1170356461.db2.gz NYEOAFZSZHJIRC-LLVKDONJSA-N -1 1 302.338 0.639 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCCC[C@@H]1CO ZINC001607017191 1170356466 /nfs/dbraw/zinc/35/64/66/1170356466.db2.gz NYEOAFZSZHJIRC-LLVKDONJSA-N -1 1 302.338 0.639 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](C(F)F)C1 ZINC001607017487 1170356540 /nfs/dbraw/zinc/35/65/40/1170356540.db2.gz UOEHLSFXHCQSHI-SECBINFHSA-N -1 1 310.264 0.368 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](C(F)F)C1 ZINC001607017487 1170356552 /nfs/dbraw/zinc/35/65/52/1170356552.db2.gz UOEHLSFXHCQSHI-SECBINFHSA-N -1 1 310.264 0.368 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCOC[C@H]1CC1CC1 ZINC001607022446 1170358520 /nfs/dbraw/zinc/35/85/20/1170358520.db2.gz UUDJCMJOQJIABM-LLVKDONJSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCOC[C@H]1CC1CC1 ZINC001607022446 1170358524 /nfs/dbraw/zinc/35/85/24/1170358524.db2.gz UUDJCMJOQJIABM-LLVKDONJSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCC(=O)N1 ZINC001607043003 1170365664 /nfs/dbraw/zinc/36/56/64/1170365664.db2.gz GVILRXYNXPEKCX-MRVPVSSYSA-N -1 1 302.294 0.180 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCOC(=O)N1 ZINC001607048304 1170370903 /nfs/dbraw/zinc/37/09/03/1170370903.db2.gz IWCGYTCBMQPWHE-SSDOTTSWSA-N -1 1 304.266 0.009 20 0 DCADMM O=S(=O)(N[C@@]12C[C@@H]1CCCC2)c1cccnc1-c1nn[n-]n1 ZINC001607059716 1170374281 /nfs/dbraw/zinc/37/42/81/1170374281.db2.gz KZCNINIKTJFRFX-ZANVPECISA-N -1 1 320.378 0.873 20 0 DCADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CC[C@@H](CF)C1 ZINC001607075141 1170381163 /nfs/dbraw/zinc/38/11/63/1170381163.db2.gz XMZHTMMFQLNDLB-ZETCQYMHSA-N -1 1 317.371 0.908 20 0 DCADMM O=c1c(-c2nnn[n-]2)cccn1CN(C[C@@H]1CCOC1)C1CC1 ZINC001607092586 1170389325 /nfs/dbraw/zinc/38/93/25/1170389325.db2.gz ZUFGCMHCYVDSNR-NSHDSACASA-N -1 1 316.365 0.487 20 0 DCADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1csnn1)CCC2 ZINC001607091502 1170390453 /nfs/dbraw/zinc/39/04/53/1170390453.db2.gz HCGZXZFZOBKVRU-UHFFFAOYSA-N -1 1 301.335 0.417 20 0 DCADMM O[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1c[nH]cn1 ZINC001607098273 1170391954 /nfs/dbraw/zinc/39/19/54/1170391954.db2.gz XEPLQPWVVOETSW-RXMQYKEDSA-N -1 1 312.746 0.845 20 0 DCADMM O[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC12CC2 ZINC001607100540 1170393806 /nfs/dbraw/zinc/39/38/06/1170393806.db2.gz WAPOLOCQVYDFHU-LLVKDONJSA-N -1 1 309.333 0.771 20 0 DCADMM O[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC12CC2 ZINC001607100540 1170393809 /nfs/dbraw/zinc/39/38/09/1170393809.db2.gz WAPOLOCQVYDFHU-LLVKDONJSA-N -1 1 309.333 0.771 20 0 DCADMM OC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@@H](O)C1CCCCC1 ZINC001607101393 1170394557 /nfs/dbraw/zinc/39/45/57/1170394557.db2.gz HUYQXVYYYLGLTB-KBPBESRZSA-N -1 1 318.381 0.398 20 0 DCADMM OC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)[C@@H](O)C1CCCCC1 ZINC001607101393 1170394564 /nfs/dbraw/zinc/39/45/64/1170394564.db2.gz HUYQXVYYYLGLTB-KBPBESRZSA-N -1 1 318.381 0.398 20 0 DCADMM O[C@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCc2ccccc21 ZINC001607099643 1170395291 /nfs/dbraw/zinc/39/52/91/1170395291.db2.gz NQUFQEKBFVUXDX-HNNXBMFYSA-N -1 1 309.333 0.325 20 0 DCADMM OC[C@H](O)CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001607102486 1170397786 /nfs/dbraw/zinc/39/77/86/1170397786.db2.gz WQINZSOMJUERET-RXMQYKEDSA-N -1 1 304.232 0.046 20 0 DCADMM OC[C@H](O)CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001607102486 1170397788 /nfs/dbraw/zinc/39/77/88/1170397788.db2.gz WQINZSOMJUERET-RXMQYKEDSA-N -1 1 304.232 0.046 20 0 DCADMM c1ncn(CC2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)n1 ZINC001607119442 1170403088 /nfs/dbraw/zinc/40/30/88/1170403088.db2.gz AZXSPAMQOXMIIF-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1ncn(CC2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)n1 ZINC001607119442 1170403094 /nfs/dbraw/zinc/40/30/94/1170403094.db2.gz AZXSPAMQOXMIIF-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1cc(N2CCOC[C@@H]2[C@@H]2CCCO2)nnc1-c1nnn[n-]1 ZINC001607119956 1170405081 /nfs/dbraw/zinc/40/50/81/1170405081.db2.gz ODUIFFKNZSAQLL-MNOVXSKESA-N -1 1 303.326 0.041 20 0 DCADMM c1cc(N2CCOC[C@@H]2[C@@H]2CCCO2)nnc1-c1nn[n-]n1 ZINC001607119956 1170405082 /nfs/dbraw/zinc/40/50/82/1170405082.db2.gz ODUIFFKNZSAQLL-MNOVXSKESA-N -1 1 303.326 0.041 20 0 DCADMM c1cnc(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc1 ZINC001607133755 1170407427 /nfs/dbraw/zinc/40/74/27/1170407427.db2.gz ONJHBCXIKYEAJK-UHFFFAOYSA-N -1 1 323.364 0.374 20 0 DCADMM c1cnc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001607133755 1170407428 /nfs/dbraw/zinc/40/74/28/1170407428.db2.gz ONJHBCXIKYEAJK-UHFFFAOYSA-N -1 1 323.364 0.374 20 0 DCADMM COc1ccc(CN(C)C(=O)CN2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC001607250924 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ZINC001609101928 1170810555 /nfs/dbraw/zinc/81/05/55/1170810555.db2.gz VBBXGFGBYJURHY-LLVKDONJSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H](CCNC(=O)c1cccc(-c2nnn[n-]2)n1)[S@@](C)=O ZINC001609111502 1170811830 /nfs/dbraw/zinc/81/18/30/1170811830.db2.gz VUJGEVVNZNQMFJ-IJSAXESFSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@H](CCNC(=O)c1cccc(-c2nn[n-]n2)n1)[S@@](C)=O ZINC001609111502 1170811835 /nfs/dbraw/zinc/81/18/35/1170811835.db2.gz VUJGEVVNZNQMFJ-IJSAXESFSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@@H](NCc1cnc2c(-c3nn[n-]n3)cnn2c1)c1ccn(C)n1 ZINC001609125157 1170819067 /nfs/dbraw/zinc/81/90/67/1170819067.db2.gz KPFKWGPUJOJIFO-SECBINFHSA-N -1 1 324.352 0.494 20 0 DCADMM CC1(C)OCC[C@@H]1NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001609147633 1170826485 /nfs/dbraw/zinc/82/64/85/1170826485.db2.gz FRLBVPLFLLIQIH-VIFPVBQESA-N -1 1 324.366 0.108 20 0 DCADMM CC1(C)COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609147053 1170826707 /nfs/dbraw/zinc/82/67/07/1170826707.db2.gz IDBAHYWJYMNJPU-UHFFFAOYSA-N -1 1 313.339 0.259 20 0 DCADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC(=O)N1 ZINC001609175470 1170845735 /nfs/dbraw/zinc/84/57/35/1170845735.db2.gz RMJDSRLALAEQOF-MRVPVSSYSA-N -1 1 310.321 0.135 20 0 DCADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC(=O)N1 ZINC001609175470 1170845740 /nfs/dbraw/zinc/84/57/40/1170845740.db2.gz RMJDSRLALAEQOF-MRVPVSSYSA-N -1 1 310.321 0.135 20 0 DCADMM C[C@H]1OC(=O)N[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001609178766 1170850641 /nfs/dbraw/zinc/85/06/41/1170850641.db2.gz DIJLTDRLMXRJDN-MLUIRONXSA-N -1 1 304.266 0.008 20 0 DCADMM C[C@@H]1SCCN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@H]1C ZINC001609180705 1170851172 /nfs/dbraw/zinc/85/11/72/1170851172.db2.gz QISCOWYROPHJBO-UWVGGRQHSA-N -1 1 306.395 0.812 20 0 DCADMM CCC(CC)(CO)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609189171 1170856955 /nfs/dbraw/zinc/85/69/55/1170856955.db2.gz VVGDVDLHURCQDH-UHFFFAOYSA-N -1 1 304.354 0.790 20 0 DCADMM CCC(CC)(CO)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609189171 1170856963 /nfs/dbraw/zinc/85/69/63/1170856963.db2.gz VVGDVDLHURCQDH-UHFFFAOYSA-N -1 1 304.354 0.790 20 0 DCADMM CCC1(CC)CN(c2cnc(-c3nnn[n-]3)cn2)CC[S@@]1=O ZINC001609197355 1170863002 /nfs/dbraw/zinc/86/30/02/1170863002.db2.gz YVXKNYVIZQCCEY-QFIPXVFZSA-N -1 1 321.410 0.784 20 0 DCADMM CCC1(CC)CN(c2cnc(-c3nn[n-]n3)cn2)CC[S@@]1=O ZINC001609197355 1170863008 /nfs/dbraw/zinc/86/30/08/1170863008.db2.gz YVXKNYVIZQCCEY-QFIPXVFZSA-N -1 1 321.410 0.784 20 0 DCADMM CC[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001609202129 1170866660 /nfs/dbraw/zinc/86/66/60/1170866660.db2.gz ZVMBJYHFMKLDQP-VHSXEESVSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001609202129 1170866672 /nfs/dbraw/zinc/86/66/72/1170866672.db2.gz ZVMBJYHFMKLDQP-VHSXEESVSA-N -1 1 302.338 0.901 20 0 DCADMM CCSCC[C@@H](C)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609248593 1170895887 /nfs/dbraw/zinc/89/58/87/1170895887.db2.gz IJENBPFYQFUKMH-BDAKNGLRSA-N -1 1 324.414 0.667 20 0 DCADMM CCc1nnc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)s1 ZINC001609255355 1170901302 /nfs/dbraw/zinc/90/13/02/1170901302.db2.gz QFYFKUDNYMIZFE-UHFFFAOYSA-N -1 1 305.323 0.804 20 0 DCADMM CCc1nnc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001609255355 1170901307 /nfs/dbraw/zinc/90/13/07/1170901307.db2.gz QFYFKUDNYMIZFE-UHFFFAOYSA-N -1 1 305.323 0.804 20 0 DCADMM CN(C[C@H](O)C1CC1)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609273080 1170905365 /nfs/dbraw/zinc/90/53/65/1170905365.db2.gz PNPNLEHBCCFDQQ-NSHDSACASA-N -1 1 305.313 0.849 20 0 DCADMM CN(C[C@H](O)C1CC1)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609273080 1170905370 /nfs/dbraw/zinc/90/53/70/1170905370.db2.gz PNPNLEHBCCFDQQ-NSHDSACASA-N -1 1 305.313 0.849 20 0 DCADMM COC(=O)[C@H](CC1CC1)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609292859 1170917887 /nfs/dbraw/zinc/91/78/87/1170917887.db2.gz AQIZUIHWTIRPDC-JTQLQIEISA-N -1 1 319.321 0.840 20 0 DCADMM COC(=O)[C@H](CC1CC1)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609292859 1170917890 /nfs/dbraw/zinc/91/78/90/1170917890.db2.gz AQIZUIHWTIRPDC-JTQLQIEISA-N -1 1 319.321 0.840 20 0 DCADMM COC(=O)C1CCN(c2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001609296686 1170919083 /nfs/dbraw/zinc/91/90/83/1170919083.db2.gz QNPATFUUCXABQU-UHFFFAOYSA-N -1 1 302.338 0.960 20 0 DCADMM COC(=O)C1CCN(c2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001609296686 1170919087 /nfs/dbraw/zinc/91/90/87/1170919087.db2.gz QNPATFUUCXABQU-UHFFFAOYSA-N -1 1 302.338 0.960 20 0 DCADMM COC(=O)C[C@@H](C)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609297354 1170919789 /nfs/dbraw/zinc/91/97/89/1170919789.db2.gz LJLSHLLHTCSROH-ZCFIWIBFSA-N -1 1 311.323 0.566 20 0 DCADMM COC(=O)C[C@@H](C)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609297354 1170919795 /nfs/dbraw/zinc/91/97/95/1170919795.db2.gz LJLSHLLHTCSROH-ZCFIWIBFSA-N -1 1 311.323 0.566 20 0 DCADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cn1C ZINC001609302291 1170924362 /nfs/dbraw/zinc/92/43/62/1170924362.db2.gz DSNXQDMLZKQVMW-UHFFFAOYSA-N -1 1 316.277 0.837 20 0 DCADMM COC(=O)[C@@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001609301099 1170925781 /nfs/dbraw/zinc/92/57/81/1170925781.db2.gz DQIJPHMYDULJTP-SCSAIBSYSA-N -1 1 302.747 0.974 20 0 DCADMM COC(=O)[C@@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001609301099 1170925786 /nfs/dbraw/zinc/92/57/86/1170925786.db2.gz DQIJPHMYDULJTP-SCSAIBSYSA-N -1 1 302.747 0.974 20 0 DCADMM CO[C@H](C)c1noc(COC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001609309165 1170927736 /nfs/dbraw/zinc/92/77/36/1170927736.db2.gz LRRDNQWGLOXFTE-ZCFIWIBFSA-N -1 1 320.265 0.907 20 0 DCADMM COC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C[C@H](C)O1 ZINC001609320812 1170935337 /nfs/dbraw/zinc/93/53/37/1170935337.db2.gz CKXPSHGDIVSPHU-WCBMZHEXSA-N -1 1 321.337 0.644 20 0 DCADMM COC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C[C@H](C)O1 ZINC001609320812 1170935352 /nfs/dbraw/zinc/93/53/52/1170935352.db2.gz CKXPSHGDIVSPHU-WCBMZHEXSA-N -1 1 321.337 0.644 20 0 DCADMM COCCO[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001609326676 1170939740 /nfs/dbraw/zinc/93/97/40/1170939740.db2.gz CMKQMVGPCUGQJM-JTQLQIEISA-N -1 1 305.342 0.289 20 0 DCADMM COCCO[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001609326676 1170939748 /nfs/dbraw/zinc/93/97/48/1170939748.db2.gz CMKQMVGPCUGQJM-JTQLQIEISA-N -1 1 305.342 0.289 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001609366056 1170950549 /nfs/dbraw/zinc/95/05/49/1170950549.db2.gz VXFDUSCKTGXOPN-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001609366056 1170950556 /nfs/dbraw/zinc/95/05/56/1170950556.db2.gz VXFDUSCKTGXOPN-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM CS[C@@H](C)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609369240 1170952833 /nfs/dbraw/zinc/95/28/33/1170952833.db2.gz RARWOXPKLADWJW-ZETCQYMHSA-N -1 1 321.366 0.068 20 0 DCADMM CS[C@@H](C)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609369240 1170952838 /nfs/dbraw/zinc/95/28/38/1170952838.db2.gz RARWOXPKLADWJW-ZETCQYMHSA-N -1 1 321.366 0.068 20 0 DCADMM Cc1c([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)cnn1C ZINC001609382769 1170956962 /nfs/dbraw/zinc/95/69/62/1170956962.db2.gz QYMMTKPZEFAGMT-SSDOTTSWSA-N -1 1 301.310 0.993 20 0 DCADMM Cc1c([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)cnn1C ZINC001609382769 1170956966 /nfs/dbraw/zinc/95/69/66/1170956966.db2.gz QYMMTKPZEFAGMT-SSDOTTSWSA-N -1 1 301.310 0.993 20 0 DCADMM Cc1ccc(N(C)CCNC(=O)N(C)C)nc1-c1nnn[n-]1 ZINC001609424971 1170974312 /nfs/dbraw/zinc/97/43/12/1170974312.db2.gz QRCJXVDVNAUPSD-UHFFFAOYSA-N -1 1 304.358 0.278 20 0 DCADMM Cc1ccc(N(C)CCNC(=O)N(C)C)nc1-c1nn[n-]n1 ZINC001609424971 1170974315 /nfs/dbraw/zinc/97/43/15/1170974315.db2.gz QRCJXVDVNAUPSD-UHFFFAOYSA-N -1 1 304.358 0.278 20 0 DCADMM Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001609424890 1170974511 /nfs/dbraw/zinc/97/45/11/1170974511.db2.gz NERWDRDHWMTICO-UHFFFAOYSA-N -1 1 320.334 0.988 20 0 DCADMM Cc1ccc(N[C@@H](C)CN2CCCC2=O)nc1-c1nnn[n-]1 ZINC001609426759 1170975230 /nfs/dbraw/zinc/97/52/30/1170975230.db2.gz OWGVGVLCOIOUED-JTQLQIEISA-N -1 1 301.354 0.993 20 0 DCADMM Cc1ccc(N[C@@H](C)CN2CCCC2=O)nc1-c1nn[n-]n1 ZINC001609426759 1170975232 /nfs/dbraw/zinc/97/52/32/1170975232.db2.gz OWGVGVLCOIOUED-JTQLQIEISA-N -1 1 301.354 0.993 20 0 DCADMM Cc1cnn([C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC001609441912 1170978897 /nfs/dbraw/zinc/97/88/97/1170978897.db2.gz VDCKXVNMLVOFED-LBPRGKRZSA-N -1 1 324.348 0.854 20 0 DCADMM Cc1cnn([C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC001609441912 1170978905 /nfs/dbraw/zinc/97/89/05/1170978905.db2.gz VDCKXVNMLVOFED-LBPRGKRZSA-N -1 1 324.348 0.854 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H](C)OC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001609444284 1170979600 /nfs/dbraw/zinc/97/96/00/1170979600.db2.gz UBBKRPYEWJHUDO-IUCAKERBSA-N -1 1 321.341 0.421 20 0 DCADMM Cc1nn(C[C@@H]2CCO[C@@H](C)C2)c(=O)c(-c2nn[n-]n2)c1C ZINC001609459318 1170986000 /nfs/dbraw/zinc/98/60/00/1170986000.db2.gz AQBHOXKEPXIZBZ-GZMMTYOYSA-N -1 1 304.354 0.855 20 0 DCADMM Cc1nsc(NC[C@@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC001609466136 1170987120 /nfs/dbraw/zinc/98/71/20/1170987120.db2.gz FLCJVDQFCAMLNU-RXMQYKEDSA-N -1 1 302.385 0.477 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2CCCOC2)c1-c1nnn[n-]1 ZINC001609465767 1170988167 /nfs/dbraw/zinc/98/81/67/1170988167.db2.gz PVXDBWOPPYYFBD-SSDOTTSWSA-N -1 1 309.355 0.932 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001609465767 1170988172 /nfs/dbraw/zinc/98/81/72/1170988172.db2.gz PVXDBWOPPYYFBD-SSDOTTSWSA-N -1 1 309.355 0.932 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](O)C1CCOCC1 ZINC001609467339 1170989649 /nfs/dbraw/zinc/98/96/49/1170989649.db2.gz CDMMAXIJNITWQM-LLVKDONJSA-N -1 1 321.337 0.285 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](O)C1CCOCC1 ZINC001609467339 1170989653 /nfs/dbraw/zinc/98/96/53/1170989653.db2.gz CDMMAXIJNITWQM-LLVKDONJSA-N -1 1 321.337 0.285 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cnccc1CO ZINC001609468269 1170989708 /nfs/dbraw/zinc/98/97/08/1170989708.db2.gz MXZNQHKDCXALBK-UHFFFAOYSA-N -1 1 300.278 0.908 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cnccc1CO ZINC001609468269 1170989711 /nfs/dbraw/zinc/98/97/11/1170989711.db2.gz MXZNQHKDCXALBK-UHFFFAOYSA-N -1 1 300.278 0.908 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1([S@](C)=O)CCC1 ZINC001609467724 1170990750 /nfs/dbraw/zinc/99/07/50/1170990750.db2.gz RHVZZQSPNXHUPS-QFIPXVFZSA-N -1 1 323.378 0.799 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1([S@](C)=O)CCC1 ZINC001609467724 1170990756 /nfs/dbraw/zinc/99/07/56/1170990756.db2.gz RHVZZQSPNXHUPS-QFIPXVFZSA-N -1 1 323.378 0.799 20 0 DCADMM Cn1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC001609480249 1170993312 /nfs/dbraw/zinc/99/33/12/1170993312.db2.gz YLKCEDYEHCKPFH-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC001609480249 1170993317 /nfs/dbraw/zinc/99/33/17/1170993317.db2.gz YLKCEDYEHCKPFH-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1ncc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC001609482204 1170994612 /nfs/dbraw/zinc/99/46/12/1170994612.db2.gz NPQHWIWZGWZOMX-UHFFFAOYSA-N -1 1 319.306 0.096 20 0 DCADMM Cn1ncc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC001609482204 1170994618 /nfs/dbraw/zinc/99/46/18/1170994618.db2.gz NPQHWIWZGWZOMX-UHFFFAOYSA-N -1 1 319.306 0.096 20 0 DCADMM FC(F)(F)[C@H]1CN(c2ncncc2-c2nn[n-]n2)CCO1 ZINC001609484039 1170995745 /nfs/dbraw/zinc/99/57/45/1170995745.db2.gz MUMSKMDCIJOYSE-SSDOTTSWSA-N -1 1 301.232 0.424 20 0 DCADMM O=C(NC[C@@H]1CSCCS1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609547126 1171017437 /nfs/dbraw/zinc/01/74/37/1171017437.db2.gz QCFNUSVVZHXZCO-SECBINFHSA-N -1 1 322.419 0.840 20 0 DCADMM O=C(NC[C@@H]1CSCCS1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609547126 1171017442 /nfs/dbraw/zinc/01/74/42/1171017442.db2.gz QCFNUSVVZHXZCO-SECBINFHSA-N -1 1 322.419 0.840 20 0 DCADMM O=C1CCCCCN1CCCNc1ncncc1-c1nn[n-]n1 ZINC001609588187 1171031272 /nfs/dbraw/zinc/03/12/72/1171031272.db2.gz XNABJKSSJFKELS-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CCCCCC1 ZINC001609597856 1171036394 /nfs/dbraw/zinc/03/63/94/1171036394.db2.gz DJKNZSAMUIYOAR-UHFFFAOYSA-N -1 1 308.367 0.826 20 0 DCADMM O[C@H](CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F 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948582406 /nfs/dbraw/zinc/58/24/06/948582406.db2.gz NDFANIGZXTXLLL-SECBINFHSA-N -1 1 314.353 0.152 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1-c1nnn[n-]1 ZINC001570920890 948608762 /nfs/dbraw/zinc/60/87/62/948608762.db2.gz GCRNBFNALHLVPN-ATZCPNFKSA-N -1 1 317.353 0.662 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC001570920890 948608766 /nfs/dbraw/zinc/60/87/66/948608766.db2.gz GCRNBFNALHLVPN-ATZCPNFKSA-N -1 1 317.353 0.662 20 0 DCADMM CCCC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001570920854 948608811 /nfs/dbraw/zinc/60/88/11/948608811.db2.gz FHCXWWNAQAYBRQ-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CC(C)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001570921114 948613451 /nfs/dbraw/zinc/61/34/51/948613451.db2.gz OLKVMSRQLHVNPR-SNVBAGLBSA-N -1 1 316.369 0.138 20 0 DCADMM CC(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001570921241 948616515 /nfs/dbraw/zinc/61/65/15/948616515.db2.gz RXJDLMILXVIPRG-LLVKDONJSA-N -1 1 316.369 0.778 20 0 DCADMM 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CC[C@H]1CO[C@H](C)CN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000343862197 415756713 /nfs/dbraw/zinc/75/67/13/415756713.db2.gz TXWIZFOOGDWNIJ-MNOVXSKESA-N -1 1 307.350 0.543 20 0 DCADMM O=C(NCCCc1nc(=O)[n-][nH]1)[C@@H]1OCCc2ccccc21 ZINC000123982927 415847108 /nfs/dbraw/zinc/84/71/08/415847108.db2.gz APXOSUMDZAEWLX-CYBMUJFWSA-N -1 1 302.334 0.461 20 0 DCADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1 ZINC000290346978 415795505 /nfs/dbraw/zinc/79/55/05/415795505.db2.gz CBZVXPBNOQLNCP-LLVKDONJSA-N -1 1 311.363 0.620 20 0 DCADMM O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cn[nH]n1 ZINC000127252217 415886126 /nfs/dbraw/zinc/88/61/26/415886126.db2.gz DDZMOHSAHMSLNW-OLZOCXBDSA-N -1 1 301.350 0.170 20 0 DCADMM CCOCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000356351637 415902916 /nfs/dbraw/zinc/90/29/16/415902916.db2.gz IMRCNVZRWZUHPM-UHFFFAOYSA-N -1 1 314.363 0.808 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N1CCOC2(CCCC2)C1 ZINC000344396238 415904350 /nfs/dbraw/zinc/90/43/50/415904350.db2.gz 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306.351 0.279 20 0 DCADMM CNC(=O)C1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC000821631669 606651666 /nfs/dbraw/zinc/65/16/66/606651666.db2.gz PEOQHJQSCPWOIO-UHFFFAOYSA-N -1 1 316.321 0.221 20 0 DCADMM CNC(=O)C1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC000821631669 606651667 /nfs/dbraw/zinc/65/16/67/606651667.db2.gz PEOQHJQSCPWOIO-UHFFFAOYSA-N -1 1 316.321 0.221 20 0 DCADMM C[C@]1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC000820618518 606742671 /nfs/dbraw/zinc/74/26/71/606742671.db2.gz HCMMSEUXADUBAC-GFCCVEGCSA-N -1 1 324.366 0.109 20 0 DCADMM C[C@]1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC000820618518 606742673 /nfs/dbraw/zinc/74/26/73/606742673.db2.gz HCMMSEUXADUBAC-GFCCVEGCSA-N -1 1 324.366 0.109 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCOCC1 ZINC000820392212 606804341 /nfs/dbraw/zinc/80/43/41/606804341.db2.gz SOTPFCIYKHJYGP-SECBINFHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCOCC1 ZINC000820392212 606804342 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CCOC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825523853 607989152 /nfs/dbraw/zinc/98/91/52/607989152.db2.gz WGYIEGSANCLRED-VIFPVBQESA-N -1 1 318.341 0.372 20 0 DCADMM CCOC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825523853 607989153 /nfs/dbraw/zinc/98/91/53/607989153.db2.gz WGYIEGSANCLRED-VIFPVBQESA-N -1 1 318.341 0.372 20 0 DCADMM c1ncn(-c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)n1 ZINC000826526519 607989284 /nfs/dbraw/zinc/98/92/84/607989284.db2.gz BXXQOBDGIZBYKD-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1ncn(-c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)n1 ZINC000826526519 607989285 /nfs/dbraw/zinc/98/92/85/607989285.db2.gz BXXQOBDGIZBYKD-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(=O)N1CCCC[C@@H]1C ZINC000824650558 607990169 /nfs/dbraw/zinc/99/01/69/607990169.db2.gz ROFGMGZCKIGYIZ-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(=O)N1CCCC[C@@H]1C ZINC000824650558 607990170 /nfs/dbraw/zinc/99/01/70/607990170.db2.gz ROFGMGZCKIGYIZ-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CC1(C)C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C(=O)O1 ZINC000824789341 608075296 /nfs/dbraw/zinc/07/52/96/608075296.db2.gz HAMZREHOUHVVMY-VIFPVBQESA-N -1 1 302.294 0.086 20 0 DCADMM CC1(C)C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C(=O)O1 ZINC000824789341 608075297 /nfs/dbraw/zinc/07/52/97/608075297.db2.gz HAMZREHOUHVVMY-VIFPVBQESA-N -1 1 302.294 0.086 20 0 DCADMM NC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826391897 608099807 /nfs/dbraw/zinc/09/98/07/608099807.db2.gz GCRDMHWDFWKWFO-BYPYZUCNSA-N -1 1 314.762 0.224 20 0 DCADMM NC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826391897 608099806 /nfs/dbraw/zinc/09/98/06/608099806.db2.gz GCRDMHWDFWKWFO-BYPYZUCNSA-N -1 1 314.762 0.224 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1scnc1C1CC1 ZINC000826425377 608102054 /nfs/dbraw/zinc/10/20/54/608102054.db2.gz ARFIHRXYKIHXLZ-UHFFFAOYSA-N -1 1 317.338 0.431 20 0 DCADMM CC(C)(C)n1cnc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000824153001 608126529 /nfs/dbraw/zinc/12/65/29/608126529.db2.gz XJXUCLUZRWGIEK-UHFFFAOYSA-N -1 1 313.325 0.861 20 0 DCADMM CC(C)(C)n1cnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000824153001 608126530 /nfs/dbraw/zinc/12/65/30/608126530.db2.gz XJXUCLUZRWGIEK-UHFFFAOYSA-N -1 1 313.325 0.861 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)/C=C/C1CC1 ZINC000825923488 608212927 /nfs/dbraw/zinc/21/29/27/608212927.db2.gz JVDSDIZUDQVYEE-VOTSOKGWSA-N -1 1 316.369 0.529 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)/C=C/C1CC1 ZINC000825923488 608212928 /nfs/dbraw/zinc/21/29/28/608212928.db2.gz JVDSDIZUDQVYEE-VOTSOKGWSA-N -1 1 316.369 0.529 20 0 DCADMM C[C@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCOC1 ZINC000824838878 608251204 /nfs/dbraw/zinc/25/12/04/608251204.db2.gz VVHMRANDJSAQJE-LBPRGKRZSA-N -1 1 324.366 0.109 20 0 DCADMM C[C@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCOC1 ZINC000824838878 608251205 /nfs/dbraw/zinc/25/12/05/608251205.db2.gz VVHMRANDJSAQJE-LBPRGKRZSA-N -1 1 324.366 0.109 20 0 DCADMM Cc1nn(Cc2cnoc2C2CC2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334973 608291801 /nfs/dbraw/zinc/29/18/01/608291801.db2.gz RRVRCQSDTDIKPO-UHFFFAOYSA-N -1 1 313.321 0.954 20 0 DCADMM c1cnn(-c2ncccc2CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826524764 608398263 /nfs/dbraw/zinc/39/82/63/608398263.db2.gz JEYNZHAZFFZUGW-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cnn(-c2ncccc2CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826524764 608398265 /nfs/dbraw/zinc/39/82/65/608398265.db2.gz JEYNZHAZFFZUGW-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM O=C1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1c1ccccc1 ZINC000826479373 608406068 /nfs/dbraw/zinc/40/60/68/608406068.db2.gz XHPOHRSDCHREBL-SNVBAGLBSA-N -1 1 322.332 0.874 20 0 DCADMM O=C1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1c1ccccc1 ZINC000826479373 608406069 /nfs/dbraw/zinc/40/60/69/608406069.db2.gz XHPOHRSDCHREBL-SNVBAGLBSA-N -1 1 322.332 0.874 20 0 DCADMM CCOC(=O)CCN(CC1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825512211 608431298 /nfs/dbraw/zinc/43/12/98/608431298.db2.gz YMXGJWAFFIIFPC-UHFFFAOYSA-N -1 1 317.353 0.826 20 0 DCADMM CCOC(=O)CCN(CC1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825512211 608431300 /nfs/dbraw/zinc/43/13/00/608431300.db2.gz YMXGJWAFFIIFPC-UHFFFAOYSA-N -1 1 317.353 0.826 20 0 DCADMM CC[C@H](CSC)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825125933 608494009 /nfs/dbraw/zinc/49/40/09/608494009.db2.gz FRZKWDZDYADYTM-SSDOTTSWSA-N -1 1 310.387 0.863 20 0 DCADMM CC[C@H](CSC)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825125933 608494010 /nfs/dbraw/zinc/49/40/10/608494010.db2.gz FRZKWDZDYADYTM-SSDOTTSWSA-N -1 1 310.387 0.863 20 0 DCADMM CN(C)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000825845772 608527970 /nfs/dbraw/zinc/52/79/70/608527970.db2.gz METQFPHXOPRNDH-UHFFFAOYSA-N -1 1 305.342 0.259 20 0 DCADMM CN(C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000825845772 608527972 /nfs/dbraw/zinc/52/79/72/608527972.db2.gz METQFPHXOPRNDH-UHFFFAOYSA-N -1 1 305.342 0.259 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCCN1CCCS1(=O)=O ZINC000826280412 608544041 /nfs/dbraw/zinc/54/40/41/608544041.db2.gz ASEGJXJKBZDFSR-UHFFFAOYSA-N -1 1 323.382 0.018 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCC(C)(C)C2)n(C)c1=O ZINC000826355846 608556813 /nfs/dbraw/zinc/55/68/13/608556813.db2.gz PPTFPVRVIKGPJO-MRVPVSSYSA-N -1 1 319.369 0.255 20 0 DCADMM CCC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000825159286 608559685 /nfs/dbraw/zinc/55/96/85/608559685.db2.gz MVRHCDNMAFVXCK-UHFFFAOYSA-N -1 1 318.385 0.753 20 0 DCADMM CCC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000825159286 608559686 /nfs/dbraw/zinc/55/96/86/608559686.db2.gz MVRHCDNMAFVXCK-UHFFFAOYSA-N -1 1 318.385 0.753 20 0 DCADMM CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825659446 608702051 /nfs/dbraw/zinc/70/20/51/608702051.db2.gz UEPNIDCWFMKGDC-SECBINFHSA-N -1 1 313.383 0.715 20 0 DCADMM CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825659446 608702055 /nfs/dbraw/zinc/70/20/55/608702055.db2.gz UEPNIDCWFMKGDC-SECBINFHSA-N -1 1 313.383 0.715 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc2c(c1)OCO2 ZINC000826425085 608890320 /nfs/dbraw/zinc/89/03/20/608890320.db2.gz PAUJVRZSTQTHNI-UHFFFAOYSA-N -1 1 313.277 0.431 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc2c(c1)OCO2 ZINC000826425085 608890322 /nfs/dbraw/zinc/89/03/22/608890322.db2.gz PAUJVRZSTQTHNI-UHFFFAOYSA-N -1 1 313.277 0.431 20 0 DCADMM CCOC(=O)c1nc(Cn2ccnc2-c2nnn[n-]2)cs1 ZINC000825570521 608891808 /nfs/dbraw/zinc/89/18/08/608891808.db2.gz KVYVYPVLNZFCSE-UHFFFAOYSA-N -1 1 305.323 0.745 20 0 DCADMM CCOC(=O)c1nc(Cn2ccnc2-c2nn[n-]n2)cs1 ZINC000825570521 608891809 /nfs/dbraw/zinc/89/18/09/608891809.db2.gz KVYVYPVLNZFCSE-UHFFFAOYSA-N -1 1 305.323 0.745 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCO[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826347284 609470782 /nfs/dbraw/zinc/47/07/82/609470782.db2.gz LVURVTXMYLHMMK-PSASIEDQSA-N -1 1 320.353 0.637 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826347284 609470783 /nfs/dbraw/zinc/47/07/83/609470783.db2.gz LVURVTXMYLHMMK-PSASIEDQSA-N -1 1 320.353 0.637 20 0 DCADMM Cc1nn(CC(=O)Cc2ccccc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334083 609486698 /nfs/dbraw/zinc/48/66/98/609486698.db2.gz HHZDDRZWLTYRLE-UHFFFAOYSA-N -1 1 324.344 0.852 20 0 DCADMM Cc1cc(C(=O)NC[C@H]2CCCN2Cc2nc(=O)n(C)[n-]2)co1 ZINC001027847963 660832627 /nfs/dbraw/zinc/83/26/27/660832627.db2.gz PKPMTYCUZITUHO-GFCCVEGCSA-N -1 1 319.365 0.404 20 0 DCADMM Cc1ccoc1C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000980708210 660988604 /nfs/dbraw/zinc/98/86/04/660988604.db2.gz RPJMIOQCIAOKTO-UHFFFAOYSA-N -1 1 319.365 0.358 20 0 DCADMM CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001027972558 661003298 /nfs/dbraw/zinc/00/32/98/661003298.db2.gz WGCXHMRIOBMMNE-NWDGAFQWSA-N -1 1 322.413 0.075 20 0 DCADMM CCC(CC)(NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)[O-] ZINC000317120560 661015348 /nfs/dbraw/zinc/01/53/48/661015348.db2.gz ZGTWKEODDCNWCI-RYUDHWBXSA-N -1 1 313.398 0.792 20 0 DCADMM O=C(c1ncccc1[O-])N1CCCN(Cc2cnon2)CC1 ZINC000981026886 661067056 /nfs/dbraw/zinc/06/70/56/661067056.db2.gz PGBLJCPIHXEFCS-UHFFFAOYSA-N -1 1 303.322 0.518 20 0 DCADMM COC(=O)N1CC([N-]S(=O)(=O)c2ccc(Cl)nc2F)C1 ZINC000866989307 667701936 /nfs/dbraw/zinc/70/19/36/667701936.db2.gz YDUDPLHQDYBSSE-UHFFFAOYSA-N -1 1 323.733 0.603 20 0 DCADMM C[C@H]1CC[C@@H](C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)C1 ZINC000982069657 661287478 /nfs/dbraw/zinc/28/74/78/661287478.db2.gz CIHNEHPCIRJEAU-QWHCGFSZSA-N -1 1 321.425 0.579 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-]CCOC[C@@H]2CCOC2)c1Cl ZINC000068943672 665454229 /nfs/dbraw/zinc/45/42/29/665454229.db2.gz QSRWTXXUQMBLJT-SECBINFHSA-N -1 1 323.802 0.405 20 0 DCADMM O=C(N[C@@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1)C1CC1 ZINC000939026108 665469710 /nfs/dbraw/zinc/46/97/10/665469710.db2.gz CDCOFTYMTGLQTG-LLVKDONJSA-N -1 1 316.361 0.800 20 0 DCADMM O=C(CCc1ccco1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998524887 665473269 /nfs/dbraw/zinc/47/32/69/665473269.db2.gz BMUJLHWSXRJZFD-LLVKDONJSA-N -1 1 319.365 0.817 20 0 DCADMM C/C(=C\C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC000998641397 665495290 /nfs/dbraw/zinc/49/52/90/665495290.db2.gz BXLXORJWVSJDTG-OFFHKIPUSA-N -1 1 305.382 0.947 20 0 DCADMM CCN1CCN(CC(=O)[N-]OCCOc2ccccc2)CC1 ZINC000889447702 657652672 /nfs/dbraw/zinc/65/26/72/657652672.db2.gz AXMQXXYAHLNYPT-UHFFFAOYSA-N -1 1 307.394 0.751 20 0 DCADMM Cc1nocc1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000998739983 665516572 /nfs/dbraw/zinc/51/65/72/665516572.db2.gz UOFWCEFERLQXIB-UHFFFAOYSA-N -1 1 302.290 0.338 20 0 DCADMM CCn1c(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)n[n-]c1=S ZINC000066636857 657841252 /nfs/dbraw/zinc/84/12/52/657841252.db2.gz XFKDUULTSMAMPY-QMMMGPOBSA-N -1 1 309.395 0.588 20 0 DCADMM CC1(C)C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001023424549 657854255 /nfs/dbraw/zinc/85/42/55/657854255.db2.gz CBJKCXZYKDBVQT-HOSYDEDBSA-N -1 1 319.361 0.135 20 0 DCADMM Cc1[nH]nc(C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c1C ZINC000998765275 665522670 /nfs/dbraw/zinc/52/26/70/665522670.db2.gz PBOXQNASQFOZTC-SNVBAGLBSA-N -1 1 319.369 0.245 20 0 DCADMM Cc1ccc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c(C)n1 ZINC000970779897 657904943 /nfs/dbraw/zinc/90/49/43/657904943.db2.gz JPJTZJUEYOUFBM-LLVKDONJSA-N -1 1 316.365 0.526 20 0 DCADMM O=C(/C=C\C1CC1)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023488640 657921656 /nfs/dbraw/zinc/92/16/56/657921656.db2.gz QIIJCRBBICPYII-SVJDAXRGSA-N -1 1 317.345 0.055 20 0 DCADMM CC1CC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC001023488435 657922206 /nfs/dbraw/zinc/92/22/06/657922206.db2.gz HWJRZDFIWURJLF-FFJHZOIPSA-N -1 1 319.361 0.135 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001023533749 657962015 /nfs/dbraw/zinc/96/20/15/657962015.db2.gz BVHFGNXPOSICCV-IJLUTSLNSA-N -1 1 307.398 0.093 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001023533749 657962026 /nfs/dbraw/zinc/96/20/26/657962026.db2.gz BVHFGNXPOSICCV-IJLUTSLNSA-N -1 1 307.398 0.093 20 0 DCADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN([C@H]2CCN(C)C2=O)C1 ZINC000969542170 657970013 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669341498 /nfs/dbraw/zinc/34/14/98/669341498.db2.gz IGTZCOIYNYVVOZ-TUAOUCFPSA-N -1 1 307.354 0.447 20 0 DCADMM O=C(N1CCO[C@H](c2nn[n-]n2)C1)[C@]12CCO[C@@H]1CCCC2 ZINC000932281913 669341814 /nfs/dbraw/zinc/34/18/14/669341814.db2.gz DWZMWDMIAXTSCN-MISXGVKJSA-N -1 1 307.354 0.449 20 0 DCADMM C[C@@H]1[C@@H](C(=O)NCc2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC000786943770 669343058 /nfs/dbraw/zinc/34/30/58/669343058.db2.gz DCRDJYKJHWOYIF-BDAKNGLRSA-N -1 1 310.358 0.461 20 0 DCADMM O=C1OCC[C@@H]1[N-]S(=O)(=O)C[C@@H]1COc2ccccc2O1 ZINC000881740592 669373321 /nfs/dbraw/zinc/37/33/21/669373321.db2.gz WVRVHHFKCNOREG-UWVGGRQHSA-N -1 1 313.331 0.061 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)NCCc1ccc(F)c(F)c1 ZINC000787437466 669374042 /nfs/dbraw/zinc/37/40/42/669374042.db2.gz TXMCGZJGKBJIPR-UHFFFAOYSA-N -1 1 323.299 0.564 20 0 DCADMM C[C@@H](Oc1cccnc1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000787902337 669408070 /nfs/dbraw/zinc/40/80/70/669408070.db2.gz MNCNSHANNBIBPB-KOLCDFICSA-N -1 1 320.378 0.679 20 0 DCADMM 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1159912813 /nfs/dbraw/zinc/91/28/13/1159912813.db2.gz PFQOKRAWSNVRMS-UHFFFAOYSA-N -1 1 322.394 0.924 20 0 DCADMM Cc1n[nH]c(C(=O)NCCCN(CC(=O)N(C)C)C2CC2)c1[O-] ZINC001566584456 1160078811 /nfs/dbraw/zinc/07/88/11/1160078811.db2.gz LUGCZSFQMJVBDH-UHFFFAOYSA-N -1 1 323.397 0.096 20 0 DCADMM CC1=NO[C@](C)(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])C1 ZINC001566778384 1160149685 /nfs/dbraw/zinc/14/96/85/1160149685.db2.gz ZRSXCMSNLGUTEF-LBPRGKRZSA-N -1 1 313.335 0.533 20 0 DCADMM Cc1cc(F)cc(C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)c1 ZINC001567565286 1160423325 /nfs/dbraw/zinc/42/33/25/1160423325.db2.gz IKWQFWLPRKBFLB-UHFFFAOYSA-N -1 1 307.329 0.820 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1ncccc1C ZINC001568734791 1160752751 /nfs/dbraw/zinc/75/27/51/1160752751.db2.gz WEHSUYBNQLZURJ-UHFFFAOYSA-N -1 1 304.354 0.466 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc2nccn2c1 ZINC001569090822 1160940023 /nfs/dbraw/zinc/94/00/23/1160940023.db2.gz WEURPMWUJYECJE-VIFPVBQESA-N -1 1 315.337 0.066 20 0 DCADMM C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)/C=C/c1ccc[nH]1 ZINC001569114056 1160946858 /nfs/dbraw/zinc/94/68/58/1160946858.db2.gz AYLXSUDCRMWECQ-XUIVZRPNSA-N -1 1 318.381 0.086 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NCCN2CCC(O)CC2)c1 ZINC001569181295 1160968225 /nfs/dbraw/zinc/96/82/25/1160968225.db2.gz AFJCMNLBVWZVMS-UHFFFAOYSA-N -1 1 306.362 0.700 20 0 DCADMM CC/C=C(\C)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001569872895 1161288533 /nfs/dbraw/zinc/28/85/33/1161288533.db2.gz QMHZWGCPEPTRFA-OBVNTCLNSA-N -1 1 305.382 0.757 20 0 DCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2nc(C)[nH]c2C)c1 ZINC001570044029 1161392595 /nfs/dbraw/zinc/39/25/95/1161392595.db2.gz MDMLBBJWIGLQCW-UHFFFAOYSA-N -1 1 324.362 0.893 20 0 DCADMM Cc1nc2n(n1)CCN(C(=O)c1ccc3n[n-]c(=S)n3c1)C2 ZINC001587308742 1163333320 /nfs/dbraw/zinc/33/33/20/1163333320.db2.gz KNVZEMCSNIXYJP-UHFFFAOYSA-N -1 1 315.362 0.574 20 0 DCADMM CC(C)C[C@H](CNCc1ccc(S(N)(=O)=O)o1)NC(=O)[O-] ZINC001573503021 1163452313 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DCADMM CC(C)=CC(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573944207 1163594840 /nfs/dbraw/zinc/59/48/40/1163594840.db2.gz XUYMNRUITFCPPP-VIFPVBQESA-N -1 1 302.342 0.540 20 0 DCADMM CC(C)C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573946849 1163596315 /nfs/dbraw/zinc/59/63/15/1163596315.db2.gz NBEHRGJQFWPHJF-UHFFFAOYSA-N -1 1 318.385 0.597 20 0 DCADMM CC(C)C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573946849 1163596321 /nfs/dbraw/zinc/59/63/21/1163596321.db2.gz NBEHRGJQFWPHJF-UHFFFAOYSA-N -1 1 318.385 0.597 20 0 DCADMM CC(C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573966126 1163608420 /nfs/dbraw/zinc/60/84/20/1163608420.db2.gz JLWYEKWPTHRZTO-UHFFFAOYSA-N -1 1 302.342 0.373 20 0 DCADMM CC(C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573966126 1163608426 /nfs/dbraw/zinc/60/84/26/1163608426.db2.gz JLWYEKWPTHRZTO-UHFFFAOYSA-N -1 1 302.342 0.373 20 0 DCADMM CC(C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573970199 1163614337 /nfs/dbraw/zinc/61/43/37/1163614337.db2.gz 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Cc1nc([C@H](C)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)n[nH]1 ZINC001574179799 1163652054 /nfs/dbraw/zinc/65/20/54/1163652054.db2.gz WIWJHYDMMLIUQW-VIFPVBQESA-N -1 1 309.370 0.429 20 0 DCADMM O=C([O-])N1C[C@@H](CO)[C@H](NCc2cc3c(cc[nH]c3=O)o2)C1 ZINC001574377226 1163710066 /nfs/dbraw/zinc/71/00/66/1163710066.db2.gz OSGDWXKEMHRHRB-GZMMTYOYSA-N -1 1 307.306 0.594 20 0 DCADMM O=C([O-])[C@@H]1CN([C@@H]2CCN(C3CC3)C2=O)C[C@H]1C(F)(F)F ZINC001574392666 1163711954 /nfs/dbraw/zinc/71/19/54/1163711954.db2.gz DYEDEJGVTQPJJF-OPRDCNLKSA-N -1 1 306.284 0.945 20 0 DCADMM O=C([O-])c1n[nH]c(C2CCN(CCNC(=O)C3CC3)CC2)n1 ZINC001574423265 1163720259 /nfs/dbraw/zinc/72/02/59/1163720259.db2.gz OGCOLCRUWYUVNS-UHFFFAOYSA-N -1 1 307.354 0.209 20 0 DCADMM C[C@@H](CCCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CC1 ZINC001574580375 1163733266 /nfs/dbraw/zinc/73/32/66/1163733266.db2.gz XULHMKOBDNINJJ-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC1 ZINC001574580375 1163733268 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C[C@@H](CNC(=O)C1(C)CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574846276 1163769708 /nfs/dbraw/zinc/76/97/08/1163769708.db2.gz MPHRHMSWMMEHGK-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC1(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574861251 1163774562 /nfs/dbraw/zinc/77/45/62/1163774562.db2.gz GAMSBMRLHWKEHG-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC1(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574861251 1163774565 /nfs/dbraw/zinc/77/45/65/1163774565.db2.gz GAMSBMRLHWKEHG-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNC(=O)CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574886840 1163786609 /nfs/dbraw/zinc/78/66/09/1163786609.db2.gz VNVLLVBBOVPLPX-SECBINFHSA-N -1 1 318.385 0.431 20 0 DCADMM CC(C)(C(=O)N1CCC(c2nn[n-]n2)CC1)n1ccc(N)n1 ZINC001575098151 1163893418 /nfs/dbraw/zinc/89/34/18/1163893418.db2.gz AGUPZRNSTOIVPY-UHFFFAOYSA-N -1 1 304.358 0.120 20 0 DCADMM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)C1(CO)CC1 ZINC001575298056 1163964996 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C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001575492541 1164034059 /nfs/dbraw/zinc/03/40/59/1164034059.db2.gz YNHLWFIXVNFCPG-IUCAKERBSA-N -1 1 321.341 0.123 20 0 DCADMM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001575492541 1164034066 /nfs/dbraw/zinc/03/40/66/1164034066.db2.gz YNHLWFIXVNFCPG-IUCAKERBSA-N -1 1 321.341 0.123 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576083181 1164233933 /nfs/dbraw/zinc/23/39/33/1164233933.db2.gz BHTOKAKQDFUROM-ZYUZMQFOSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576083181 1164233939 /nfs/dbraw/zinc/23/39/39/1164233939.db2.gz BHTOKAKQDFUROM-ZYUZMQFOSA-N -1 1 314.353 0.372 20 0 DCADMM C/C=C(/C)C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576399239 1164326439 /nfs/dbraw/zinc/32/64/39/1164326439.db2.gz XSURGFOBTTZZMJ-HYHWUIIZSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(/C)C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576399239 1164326446 /nfs/dbraw/zinc/32/64/46/1164326446.db2.gz XSURGFOBTTZZMJ-HYHWUIIZSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C/[C@@H](O)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001576405660 1164329255 /nfs/dbraw/zinc/32/92/55/1164329255.db2.gz MGZVYMIEUPYNSL-VMZHVLLKSA-N -1 1 309.276 0.698 20 0 DCADMM C/C=C/[C@@H](O)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001576405660 1164329264 /nfs/dbraw/zinc/32/92/64/1164329264.db2.gz MGZVYMIEUPYNSL-VMZHVLLKSA-N -1 1 309.276 0.698 20 0 DCADMM CCC(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001576411438 1164331861 /nfs/dbraw/zinc/33/18/61/1164331861.db2.gz LCKMIRVAWLGHJX-SNVBAGLBSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001576411438 1164331868 /nfs/dbraw/zinc/33/18/68/1164331868.db2.gz LCKMIRVAWLGHJX-SNVBAGLBSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576416849 1164336791 /nfs/dbraw/zinc/33/67/91/1164336791.db2.gz SZOOUMYHJNFZRP-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576416849 1164336797 /nfs/dbraw/zinc/33/67/97/1164336797.db2.gz SZOOUMYHJNFZRP-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001576425928 1164340120 /nfs/dbraw/zinc/34/01/20/1164340120.db2.gz JGCLIHBIPNKZHB-UWVGGRQHSA-N -1 1 316.369 0.138 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576441238 1164344921 /nfs/dbraw/zinc/34/49/21/1164344921.db2.gz VPJHVKMSLGLWGP-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576441238 1164344928 /nfs/dbraw/zinc/34/49/28/1164344928.db2.gz VPJHVKMSLGLWGP-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576441274 1164345349 /nfs/dbraw/zinc/34/53/49/1164345349.db2.gz WJZDWZJWQUWTPK-UWVGGRQHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576441274 1164345352 /nfs/dbraw/zinc/34/53/52/1164345352.db2.gz WJZDWZJWQUWTPK-UWVGGRQHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001576576336 1164400845 /nfs/dbraw/zinc/40/08/45/1164400845.db2.gz JMVZFMNOIXDNFZ-ZJUUUORDSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001576576336 1164400848 /nfs/dbraw/zinc/40/08/48/1164400848.db2.gz JMVZFMNOIXDNFZ-ZJUUUORDSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)NCCN(CC)c1nccnc1-c1nnn[n-]1 ZINC001576584864 1164404478 /nfs/dbraw/zinc/40/44/78/1164404478.db2.gz MZNDTWQANMCPRE-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H](C)C(=O)NCCN(CC)c1nccnc1-c1nn[n-]n1 ZINC001576584864 1164404480 /nfs/dbraw/zinc/40/44/80/1164404480.db2.gz MZNDTWQANMCPRE-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576596066 1164407607 /nfs/dbraw/zinc/40/76/07/1164407607.db2.gz NBLBLRWQUMAASM-UWVGGRQHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](CNC(=O)C1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576792223 1164464805 /nfs/dbraw/zinc/46/48/05/1164464805.db2.gz ULNNRPGUQCCRNQ-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)C1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576792223 1164464807 /nfs/dbraw/zinc/46/48/07/1164464807.db2.gz ULNNRPGUQCCRNQ-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576926543 1164538234 /nfs/dbraw/zinc/53/82/34/1164538234.db2.gz RPCOOLBFCJCZOS-IUCAKERBSA-N -1 1 322.348 0.086 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001576957390 1164558422 /nfs/dbraw/zinc/55/84/22/1164558422.db2.gz RWHDYHVRUOHJAK-BDAKNGLRSA-N -1 1 322.348 0.569 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001576957390 1164558426 /nfs/dbraw/zinc/55/84/26/1164558426.db2.gz RWHDYHVRUOHJAK-BDAKNGLRSA-N -1 1 322.348 0.569 20 0 DCADMM CCC(O)(CC)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001576998621 1164577629 /nfs/dbraw/zinc/57/76/29/1164577629.db2.gz DZUBLQLYKSZLCJ-UHFFFAOYSA-N -1 1 323.357 0.019 20 0 DCADMM CC[C@H]1[C@H](CO)CCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001577126461 1164610998 /nfs/dbraw/zinc/61/09/98/1164610998.db2.gz JXJLZEQZRZCPMB-ONGXEEELSA-N -1 1 320.353 0.325 20 0 DCADMM CC[C@H]1[C@H](CO)CCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001577126461 1164610999 /nfs/dbraw/zinc/61/09/99/1164610999.db2.gz JXJLZEQZRZCPMB-ONGXEEELSA-N -1 1 320.353 0.325 20 0 DCADMM CCCC(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001577185154 1164625517 /nfs/dbraw/zinc/62/55/17/1164625517.db2.gz SBOYLGQDGXDFHJ-UHFFFAOYSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001577185154 1164625519 /nfs/dbraw/zinc/62/55/19/1164625519.db2.gz SBOYLGQDGXDFHJ-UHFFFAOYSA-N -1 1 316.369 0.858 20 0 DCADMM CCC[C@H](C)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577278745 1164658509 /nfs/dbraw/zinc/65/85/09/1164658509.db2.gz NLLHBBKJFLSBRX-UWVGGRQHSA-N -1 1 318.385 0.431 20 0 DCADMM CCCCC(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577396253 1164685201 /nfs/dbraw/zinc/68/52/01/1164685201.db2.gz LLXISABHNVKVEO-SNVBAGLBSA-N -1 1 318.385 0.528 20 0 DCADMM CCCCC(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577408945 1164685872 /nfs/dbraw/zinc/68/58/72/1164685872.db2.gz VSFIUIUMGKVACE-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)NC[C@@H](CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577418044 1164688984 /nfs/dbraw/zinc/68/89/84/1164688984.db2.gz ZURXYAVIFWSPAK-SNVBAGLBSA-N -1 1 318.385 0.576 20 0 DCADMM CCCN(CCNC(=O)C1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001577591622 1164732801 /nfs/dbraw/zinc/73/28/01/1164732801.db2.gz NYIXHHPBDIUTTJ-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCCN(CCNC(=O)C1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001577591622 1164732806 /nfs/dbraw/zinc/73/28/06/1164732806.db2.gz NYIXHHPBDIUTTJ-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(C)C(=O)C[N@H+]1CCc2c(sc(N)c2-c2nn[nH]n2)C1 ZINC001577843924 1164812269 /nfs/dbraw/zinc/81/22/69/1164812269.db2.gz AKPNCQMUWYYGNH-UHFFFAOYSA-N -1 1 321.410 0.347 20 0 DCADMM CCN(C)C(=O)C[N@@H+]1CCc2c(sc(N)c2-c2nn[nH]n2)C1 ZINC001577843924 1164812261 /nfs/dbraw/zinc/81/22/61/1164812261.db2.gz AKPNCQMUWYYGNH-UHFFFAOYSA-N -1 1 321.410 0.347 20 0 DCADMM CCN(CCNC(=O)C(C)(C)C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577920078 1164842348 /nfs/dbraw/zinc/84/23/48/1164842348.db2.gz VJKFHQIOBCNPBJ-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)C(C)(C)C ZINC001578138514 1164933156 /nfs/dbraw/zinc/93/31/56/1164933156.db2.gz DUGWPYDZZRTENR-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)C(C)(C)C ZINC001578138514 1164933163 /nfs/dbraw/zinc/93/31/63/1164933163.db2.gz DUGWPYDZZRTENR-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCN(c1cnc(-c2nnn[n-]2)cn1)[C@H](C)CNC(=O)C1CC1 ZINC001578198770 1164949468 /nfs/dbraw/zinc/94/94/68/1164949468.db2.gz LYASTLAEVHBGMV-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CCN(c1cnc(-c2nn[n-]n2)cn1)[C@H](C)CNC(=O)C1CC1 ZINC001578198770 1164949475 /nfs/dbraw/zinc/94/94/75/1164949475.db2.gz LYASTLAEVHBGMV-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CCN(c1nccnc1-c1nnn[n-]1)[C@H](C)CNC(=O)C(C)C ZINC001578208416 1164951595 /nfs/dbraw/zinc/95/15/95/1164951595.db2.gz QASBRGBJPOKGKV-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CCN(c1nccnc1-c1nn[n-]n1)[C@H](C)CNC(=O)C(C)C ZINC001578208416 1164951598 /nfs/dbraw/zinc/95/15/98/1164951598.db2.gz QASBRGBJPOKGKV-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CCOC(=O)c1nc[nH]c1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001578250790 1164962565 /nfs/dbraw/zinc/96/25/65/1164962565.db2.gz ISOAOAXGPQXQAR-UHFFFAOYSA-N -1 1 315.297 0.169 20 0 DCADMM CCOC(=O)c1nc[nH]c1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001578250790 1164962573 /nfs/dbraw/zinc/96/25/73/1164962573.db2.gz ISOAOAXGPQXQAR-UHFFFAOYSA-N -1 1 315.297 0.169 20 0 DCADMM CCOC(=O)c1cnn(C[C@@H]2CCCC[C@@H]2O)c1-c1nn[n-]n1 ZINC001578254348 1164965786 /nfs/dbraw/zinc/96/57/86/1164965786.db2.gz LCIUMFVDYJOPNR-ONGXEEELSA-N -1 1 320.353 0.791 20 0 DCADMM 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ZINC001579401532 1165300144 /nfs/dbraw/zinc/30/01/44/1165300144.db2.gz RGHMXNYJAJNORF-GFCCVEGCSA-N -1 1 316.369 0.155 20 0 DCADMM CNC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(-c3nn[nH]n3)c2)C1 ZINC001579401532 1165300152 /nfs/dbraw/zinc/30/01/52/1165300152.db2.gz RGHMXNYJAJNORF-GFCCVEGCSA-N -1 1 316.369 0.155 20 0 DCADMM COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3ncncc3-c3nn[n-]n3)[C@@H]2C1 ZINC001579446691 1165312624 /nfs/dbraw/zinc/31/26/24/1165312624.db2.gz NRDDKYCOAPEOOL-LOKLDPHHSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)c1nccc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001579491127 1165329853 /nfs/dbraw/zinc/32/98/53/1165329853.db2.gz AYZCTTWAPVDUDT-UHFFFAOYSA-N -1 1 315.249 0.289 20 0 DCADMM COC(=O)c1nccc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001579491127 1165329861 /nfs/dbraw/zinc/32/98/61/1165329861.db2.gz AYZCTTWAPVDUDT-UHFFFAOYSA-N -1 1 315.249 0.289 20 0 DCADMM COC(=O)c1csc(Cn2cc(-c3nn[n-]n3)ccc2=O)c1 ZINC001579491538 1165330641 /nfs/dbraw/zinc/33/06/41/1165330641.db2.gz ISRBVVWFTTVJQF-UHFFFAOYSA-N -1 1 317.330 0.925 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001579618158 1165361751 /nfs/dbraw/zinc/36/17/51/1165361751.db2.gz IYQCHMCBCWEZBV-RKDXNWHRSA-N -1 1 321.341 0.278 20 0 DCADMM COC[C@]1(CO)CCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001579747087 1165385571 /nfs/dbraw/zinc/38/55/71/1165385571.db2.gz NXBKICRHQQTXDT-CQSZACIVSA-N -1 1 321.337 0.239 20 0 DCADMM COC[C@]1(CO)CCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001579747087 1165385580 /nfs/dbraw/zinc/38/55/80/1165385580.db2.gz NXBKICRHQQTXDT-CQSZACIVSA-N -1 1 321.337 0.239 20 0 DCADMM COc1cnc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)nc1 ZINC001580106193 1165505374 /nfs/dbraw/zinc/50/53/74/1165505374.db2.gz WSNNJPLGUAGIGQ-UHFFFAOYSA-N -1 1 318.322 0.052 20 0 DCADMM COc1cnc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)nc1 ZINC001580106193 1165505375 /nfs/dbraw/zinc/50/53/75/1165505375.db2.gz WSNNJPLGUAGIGQ-UHFFFAOYSA-N -1 1 318.322 0.052 20 0 DCADMM COc1cnc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)c(F)c1 ZINC001580106311 1165505905 /nfs/dbraw/zinc/50/59/05/1165505905.db2.gz BKGWQVBSGLXMJA-UHFFFAOYSA-N -1 1 318.272 0.693 20 0 DCADMM COc1cncc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001580113059 1165508659 /nfs/dbraw/zinc/50/86/59/1165508659.db2.gz HKDIRTKFXAVNGQ-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1cncc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001580113059 1165508665 /nfs/dbraw/zinc/50/86/65/1165508665.db2.gz HKDIRTKFXAVNGQ-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1ncc(NC(=O)c2c(C)cnn2C)cc1-c1nn[n-]n1 ZINC001580138349 1165515118 /nfs/dbraw/zinc/51/51/18/1165515118.db2.gz KERYHCSIBLRRBE-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ncc(NC(=O)N[C@@H]2CCC[C@H]2O)cc1-c1nn[n-]n1 ZINC001580138456 1165515334 /nfs/dbraw/zinc/51/53/34/1165515334.db2.gz HKOKSPRGQVVDAE-NXEZZACHSA-N -1 1 319.325 0.305 20 0 DCADMM CSC1(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CC1 ZINC001580206279 1165536276 /nfs/dbraw/zinc/53/62/76/1165536276.db2.gz ZVNTWVMSSIKAEC-UHFFFAOYSA-N -1 1 320.378 0.901 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C)CCC1 ZINC001580290126 1165560529 /nfs/dbraw/zinc/56/05/29/1165560529.db2.gz CWEHQMFWXCODHA-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC1(F)F ZINC001580422823 1165600149 /nfs/dbraw/zinc/60/01/49/1165600149.db2.gz ZAGRMJJZGLFGBI-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC1(F)F ZINC001580422823 1165600154 /nfs/dbraw/zinc/60/01/54/1165600154.db2.gz ZAGRMJJZGLFGBI-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM Nc1ccc(F)cc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC001580448205 1165605661 /nfs/dbraw/zinc/60/56/61/1165605661.db2.gz YHKGWQIYKOAVHV-UHFFFAOYSA-N -1 1 304.281 0.877 20 0 DCADMM O=C([C@@H]1Cc2ccc(O)cc2N1)N1CCC(c2nn[n-]n2)CC1 ZINC001580487240 1165618719 /nfs/dbraw/zinc/61/87/19/1165618719.db2.gz RPAIPWRBKSQEGS-ZDUSSCGKSA-N -1 1 314.349 0.648 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@@]12CCOC2 ZINC001580597669 1165649290 /nfs/dbraw/zinc/64/92/90/1165649290.db2.gz LANQWNQFQLAVDA-AWEZNQCLSA-N -1 1 316.321 0.281 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1CCC(=O)CC1 ZINC001580601739 1165651437 /nfs/dbraw/zinc/65/14/37/1165651437.db2.gz NDMLETSLXGGSRB-UHFFFAOYSA-N -1 1 316.321 0.517 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccnc(F)c1 ZINC001580731547 1165704111 /nfs/dbraw/zinc/70/41/11/1165704111.db2.gz ARSNQWGOWQWKHG-UHFFFAOYSA-N -1 1 318.308 0.823 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)NC(=O)C2CCC2)n1 ZINC001580747318 1165709615 /nfs/dbraw/zinc/70/96/15/1165709615.db2.gz WJDUPVZJOPKMEX-SECBINFHSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)NC(=O)C2CCC2)n1 ZINC001580747318 1165709624 /nfs/dbraw/zinc/70/96/24/1165709624.db2.gz WJDUPVZJOPKMEX-SECBINFHSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(=O)[nH]c(CNC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001580764418 1165713284 /nfs/dbraw/zinc/71/32/84/1165713284.db2.gz UITJEJPCTHFART-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1cc(=O)[nH]c(CNC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001580764418 1165713290 /nfs/dbraw/zinc/71/32/90/1165713290.db2.gz UITJEJPCTHFART-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c(C)nn1 ZINC001580778640 1165716559 /nfs/dbraw/zinc/71/65/59/1165716559.db2.gz MYXFYGSMRGLUHU-UHFFFAOYSA-N -1 1 310.321 0.945 20 0 DCADMM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c(C)nn1 ZINC001580778640 1165716566 /nfs/dbraw/zinc/71/65/66/1165716566.db2.gz MYXFYGSMRGLUHU-UHFFFAOYSA-N -1 1 310.321 0.945 20 0 DCADMM Cc1cc(NC(=O)CCCc2nn[n-]n2)cc(-c2nn[nH]n2)c1 ZINC001580979483 1165768431 /nfs/dbraw/zinc/76/84/31/1165768431.db2.gz OUVCKELSGNZSFW-UHFFFAOYSA-N -1 1 313.325 0.650 20 0 DCADMM Cc1ccc(CNC(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)cc1 ZINC001581196608 1165795500 /nfs/dbraw/zinc/79/55/00/1165795500.db2.gz KLCNLTNYMQVLLP-UHFFFAOYSA-N -1 1 324.344 0.653 20 0 DCADMM Cc1[nH]nc(NCc2nc(Br)c[nH]2)c1-c1nn[n-]n1 ZINC001581403448 1165821422 /nfs/dbraw/zinc/82/14/22/1165821422.db2.gz MYIXEYOYCIKZMI-UHFFFAOYSA-N -1 1 324.146 0.996 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)n1 ZINC001581410990 1165823184 /nfs/dbraw/zinc/82/31/84/1165823184.db2.gz GHBPFVHICZDABM-OUAUKWLOSA-N -1 1 301.354 0.562 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)n1 ZINC001581410990 1165823188 /nfs/dbraw/zinc/82/31/88/1165823188.db2.gz GHBPFVHICZDABM-OUAUKWLOSA-N -1 1 301.354 0.562 20 0 DCADMM Cc1nc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cs1 ZINC001581454439 1165830598 /nfs/dbraw/zinc/83/05/98/1165830598.db2.gz ZRBGGSFVEGMPBN-UHFFFAOYSA-N -1 1 320.338 0.043 20 0 DCADMM Cc1ncsc1CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001581586292 1165846505 /nfs/dbraw/zinc/84/65/05/1165846505.db2.gz IVNWIYHTUKHQIU-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1ncsc1CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001581586292 1165846510 /nfs/dbraw/zinc/84/65/10/1165846510.db2.gz IVNWIYHTUKHQIU-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)c3ccc(-c4nn[nH]n4)n3C)ccnc1-2 ZINC001581747059 1165863335 /nfs/dbraw/zinc/86/33/35/1165863335.db2.gz VYLVQCRCHUTULW-UHFFFAOYSA-N -1 1 323.320 0.113 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCC2(CO)CCC2)n1 ZINC001581754038 1165868571 /nfs/dbraw/zinc/86/85/71/1165868571.db2.gz DITRNZRSRNLFRL-UHFFFAOYSA-N -1 1 320.357 0.274 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCC2(CO)CCC2)n1 ZINC001581754038 1165868577 /nfs/dbraw/zinc/86/85/77/1165868577.db2.gz DITRNZRSRNLFRL-UHFFFAOYSA-N -1 1 320.357 0.274 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3c(c2)nnn3C)n1 ZINC001581754702 1165871144 /nfs/dbraw/zinc/87/11/44/1165871144.db2.gz HUHKEQAHQFCVEI-UHFFFAOYSA-N -1 1 324.308 0.134 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3c(c2)nnn3C)n1 ZINC001581754702 1165871148 /nfs/dbraw/zinc/87/11/48/1165871148.db2.gz HUHKEQAHQFCVEI-UHFFFAOYSA-N -1 1 324.308 0.134 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnn(C(F)F)c2)n1 ZINC001581755104 1165871186 /nfs/dbraw/zinc/87/11/86/1165871186.db2.gz YWSCDPSUZJZDPX-UHFFFAOYSA-N -1 1 309.240 0.444 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnn(C(F)F)c2)n1 ZINC001581755104 1165871190 /nfs/dbraw/zinc/87/11/90/1165871190.db2.gz YWSCDPSUZJZDPX-UHFFFAOYSA-N -1 1 309.240 0.444 20 0 DCADMM Cn1ccc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)n1 ZINC001581785259 1165877039 /nfs/dbraw/zinc/87/70/39/1165877039.db2.gz JVIDIDHSVKDRQJ-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1ccc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)n1 ZINC001581785259 1165877044 /nfs/dbraw/zinc/87/70/44/1165877044.db2.gz JVIDIDHSVKDRQJ-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM FC(F)(F)CNC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001581849704 1165888057 /nfs/dbraw/zinc/88/80/57/1165888057.db2.gz ZRNIJWUBPATNOU-UHFFFAOYSA-N -1 1 314.275 0.752 20 0 DCADMM FC(F)(F)CNC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001581849704 1165888065 /nfs/dbraw/zinc/88/80/65/1165888065.db2.gz ZRNIJWUBPATNOU-UHFFFAOYSA-N -1 1 314.275 0.752 20 0 DCADMM NC(=O)CN(C(=O)c1coc(-c2nnn[n-]2)c1)C1CCCC1 ZINC001581894083 1165905456 /nfs/dbraw/zinc/90/54/56/1165905456.db2.gz YUDQNPRPAKFGFR-UHFFFAOYSA-N -1 1 304.310 0.330 20 0 DCADMM NC(=O)CN(C(=O)c1coc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001581894083 1165905463 /nfs/dbraw/zinc/90/54/63/1165905463.db2.gz YUDQNPRPAKFGFR-UHFFFAOYSA-N -1 1 304.310 0.330 20 0 DCADMM NC(=O)c1cnc(NC(=O)c2csc(-c3nn[n-]n3)c2)s1 ZINC001581905426 1165910385 /nfs/dbraw/zinc/91/03/85/1165910385.db2.gz ITUFPFHTQBLNGB-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM O=C(C1CC1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001581923155 1165915509 /nfs/dbraw/zinc/91/55/09/1165915509.db2.gz OQIOSAUEXGYDGJ-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001581923155 1165915513 /nfs/dbraw/zinc/91/55/13/1165915513.db2.gz OQIOSAUEXGYDGJ-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C[C@@H]1CCCC(=O)N1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581982189 1165929596 /nfs/dbraw/zinc/92/95/96/1165929596.db2.gz XPFOZLQEGCEGET-QMMMGPOBSA-N -1 1 320.378 0.603 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001582198045 1165981908 /nfs/dbraw/zinc/98/19/08/1165981908.db2.gz KGTQMFSKZZWGFQ-ZYHUDNBSSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)c1ccc(F)c(F)c1 ZINC001582198408 1165981938 /nfs/dbraw/zinc/98/19/38/1165981938.db2.gz ZZFSYYCOAUIXLO-UHFFFAOYSA-N -1 1 318.243 0.585 20 0 DCADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001582298470 1165997971 /nfs/dbraw/zinc/99/79/71/1165997971.db2.gz INZFKLVFNMSYRQ-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCn2ccnc2C1 ZINC001582554941 1166041609 /nfs/dbraw/zinc/04/16/09/1166041609.db2.gz YEOOXEMGZWBMAT-NSHDSACASA-N -1 1 324.348 0.337 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCc2ncncc2C1 ZINC001582645228 1166059529 /nfs/dbraw/zinc/05/95/29/1166059529.db2.gz OIMWJAFDBHITAI-UHFFFAOYSA-N -1 1 323.320 0.642 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCc2ncncc2C1 ZINC001582645228 1166059533 /nfs/dbraw/zinc/05/95/33/1166059533.db2.gz OIMWJAFDBHITAI-UHFFFAOYSA-N -1 1 323.320 0.642 20 0 DCADMM O=C(Nc1ncc2c(c1-c1nn[n-]n1)COCC2)c1cnccn1 ZINC001582653161 1166060205 /nfs/dbraw/zinc/06/02/05/1166060205.db2.gz GDRLAERZVZWFHS-UHFFFAOYSA-N -1 1 324.304 0.377 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](c2ncccn2)C1 ZINC001582708151 1166069470 /nfs/dbraw/zinc/06/94/70/1166069470.db2.gz DQHXTGRGZKNJGU-SNVBAGLBSA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](c2ncccn2)C1 ZINC001582708151 1166069474 /nfs/dbraw/zinc/06/94/74/1166069474.db2.gz DQHXTGRGZKNJGU-SNVBAGLBSA-N -1 1 322.332 0.681 20 0 DCADMM O=C1CN(c2ccnc(-c3nn[n-]n3)n2)CN1Cc1ccccc1 ZINC001582777188 1166080238 /nfs/dbraw/zinc/08/02/38/1166080238.db2.gz KNKANUYRQDPSTB-UHFFFAOYSA-N -1 1 322.332 0.463 20 0 DCADMM O=Cc1ccccc1OCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582790758 1166081315 /nfs/dbraw/zinc/08/13/15/1166081315.db2.gz NDFOWCYWKMRJEM-UHFFFAOYSA-N -1 1 313.277 0.420 20 0 DCADMM O=Cc1ccccc1OCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582790758 1166081322 /nfs/dbraw/zinc/08/13/22/1166081322.db2.gz NDFOWCYWKMRJEM-UHFFFAOYSA-N -1 1 313.277 0.420 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001582806669 1166086231 /nfs/dbraw/zinc/08/62/31/1166086231.db2.gz UKGLDRHSAJDWSI-HZMBPMFUSA-N -1 1 318.337 0.152 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1cc(Cl)ccc1F ZINC001582806020 1166086248 /nfs/dbraw/zinc/08/62/48/1166086248.db2.gz CPANYNWAKPWGKW-UHFFFAOYSA-N -1 1 322.687 0.970 20 0 DCADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cn1cc(Cl)cn1)CCC2 ZINC001582806583 1166086755 /nfs/dbraw/zinc/08/67/55/1166086755.db2.gz QRCJUSDESPRFHM-UHFFFAOYSA-N -1 1 317.740 0.873 20 0 DCADMM CC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588812091 1166594695 /nfs/dbraw/zinc/59/46/95/1166594695.db2.gz KAXVURMMROALGF-ONGXEEELSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588812091 1166594703 /nfs/dbraw/zinc/59/47/03/1166594703.db2.gz KAXVURMMROALGF-ONGXEEELSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CCC(Nc2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001588812569 1166594784 /nfs/dbraw/zinc/59/47/84/1166594784.db2.gz NAWQXOVRLHVOJJ-UHFFFAOYSA-N -1 1 301.354 0.415 20 0 DCADMM CC(=O)N1CCC(Nc2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001588812569 1166594792 /nfs/dbraw/zinc/59/47/92/1166594792.db2.gz NAWQXOVRLHVOJJ-UHFFFAOYSA-N -1 1 301.354 0.415 20 0 DCADMM CC(=O)N1CCC[C@@H](CNc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001588818140 1166598166 /nfs/dbraw/zinc/59/81/66/1166598166.db2.gz AYKJXQJZAZKEHY-NSHDSACASA-N -1 1 301.354 0.354 20 0 DCADMM CC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001588818140 1166598172 /nfs/dbraw/zinc/59/81/72/1166598172.db2.gz AYKJXQJZAZKEHY-NSHDSACASA-N -1 1 301.354 0.354 20 0 DCADMM CC(=O)NC[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001588855759 1166609596 /nfs/dbraw/zinc/60/95/96/1166609596.db2.gz ZPVJUGOJNBODAN-JTQLQIEISA-N -1 1 302.342 0.009 20 0 DCADMM CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001588869290 1166612822 /nfs/dbraw/zinc/61/28/22/1166612822.db2.gz JALUICGIXXIZSW-NXEZZACHSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001588869290 1166612830 /nfs/dbraw/zinc/61/28/30/1166612830.db2.gz JALUICGIXXIZSW-NXEZZACHSA-N -1 1 302.342 0.516 20 0 DCADMM C[C@H](C(=O)N1CCCC2(CC2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588954378 1166621172 /nfs/dbraw/zinc/62/11/72/1166621172.db2.gz LNOKPCXZXKOIIV-SNVBAGLBSA-N -1 1 316.369 0.812 20 0 DCADMM C[C@H](C(=O)N[C@]12C[C@H]1CCCC2)n1cnc(-c2nn[n-]n2)n1 ZINC001588970874 1166625011 /nfs/dbraw/zinc/62/50/11/1166625011.db2.gz QIPAHHJNAHRJAI-JRKPZEMJSA-N -1 1 302.342 0.468 20 0 DCADMM C[C@H](C(=O)NCCCNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588991330 1166627259 /nfs/dbraw/zinc/62/72/59/1166627259.db2.gz GIKNMILGMWADMK-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](C(=O)NCCCNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588991330 1166627262 /nfs/dbraw/zinc/62/72/62/1166627262.db2.gz GIKNMILGMWADMK-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](C(=O)Nc1ccc(Cl)cn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589015981 1166628545 /nfs/dbraw/zinc/62/85/45/1166628545.db2.gz SSYUKMCYLLHLLY-ZCFIWIBFSA-N -1 1 319.716 0.706 20 0 DCADMM CC(C)(C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001589189327 1166639620 /nfs/dbraw/zinc/63/96/20/1166639620.db2.gz WWWYPHSUDQYFFF-JTQLQIEISA-N -1 1 317.353 0.967 20 0 DCADMM CC(C)(C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001589189327 1166639626 /nfs/dbraw/zinc/63/96/26/1166639626.db2.gz WWWYPHSUDQYFFF-JTQLQIEISA-N -1 1 317.353 0.967 20 0 DCADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nnn[n-]1)C(N)=O ZINC001589287034 1166641807 /nfs/dbraw/zinc/64/18/07/1166641807.db2.gz YBHRAWGAYBZJLJ-UHFFFAOYSA-N -1 1 306.301 0.247 20 0 DCADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nn[n-]n1)C(N)=O ZINC001589287034 1166641810 /nfs/dbraw/zinc/64/18/10/1166641810.db2.gz YBHRAWGAYBZJLJ-UHFFFAOYSA-N -1 1 306.301 0.247 20 0 DCADMM CC(C)(O)C1CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001589328352 1166649725 /nfs/dbraw/zinc/64/97/25/1166649725.db2.gz VEJBBXWORCKYCY-UHFFFAOYSA-N -1 1 323.382 0.236 20 0 DCADMM CC(C)(O)C1CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001589328352 1166649728 /nfs/dbraw/zinc/64/97/28/1166649728.db2.gz VEJBBXWORCKYCY-UHFFFAOYSA-N -1 1 323.382 0.236 20 0 DCADMM CC(C)=CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001589361408 1166651681 /nfs/dbraw/zinc/65/16/81/1166651681.db2.gz MQEWJGXMTZPUNF-SNVBAGLBSA-N -1 1 316.369 0.564 20 0 DCADMM CC(C)=CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001589361408 1166651685 /nfs/dbraw/zinc/65/16/85/1166651685.db2.gz MQEWJGXMTZPUNF-SNVBAGLBSA-N -1 1 316.369 0.564 20 0 DCADMM CC(C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001589394227 1166653580 /nfs/dbraw/zinc/65/35/80/1166653580.db2.gz YPLVHSBBTUBVDC-UHFFFAOYSA-N -1 1 304.358 0.207 20 0 DCADMM CC(C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001589394040 1166654052 /nfs/dbraw/zinc/65/40/52/1166654052.db2.gz JCUMNNSSZINRSQ-VIFPVBQESA-N -1 1 304.358 0.572 20 0 DCADMM CC(C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001589394040 1166654056 /nfs/dbraw/zinc/65/40/56/1166654056.db2.gz JCUMNNSSZINRSQ-VIFPVBQESA-N -1 1 304.358 0.572 20 0 DCADMM CC(C)[C@@H](C)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589436055 1166659822 /nfs/dbraw/zinc/65/98/22/1166659822.db2.gz VCJDLMMNFGHWIJ-VIFPVBQESA-N -1 1 317.353 0.609 20 0 DCADMM CC(C)[C@@H](C)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589436055 1166659827 /nfs/dbraw/zinc/65/98/27/1166659827.db2.gz VCJDLMMNFGHWIJ-VIFPVBQESA-N -1 1 317.353 0.609 20 0 DCADMM CC(C)[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C1CC1 ZINC001589475188 1166661444 /nfs/dbraw/zinc/66/14/44/1166661444.db2.gz LCEVCXVNYKLXBJ-SNVBAGLBSA-N -1 1 319.369 0.111 20 0 DCADMM CC(C)[C@]1(CO)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589493682 1166662720 /nfs/dbraw/zinc/66/27/20/1166662720.db2.gz FPQLZWDOIXKSGQ-OAHLLOKOSA-N -1 1 316.365 0.742 20 0 DCADMM CC(C)[C@]1(CO)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589493682 1166662730 /nfs/dbraw/zinc/66/27/30/1166662730.db2.gz FPQLZWDOIXKSGQ-OAHLLOKOSA-N -1 1 316.365 0.742 20 0 DCADMM CC[C@H](CNC(=O)N[C@@H]1CCCN2CCSC[C@H]12)C(=O)[O-] ZINC001589535208 1166665451 /nfs/dbraw/zinc/66/54/51/1166665451.db2.gz NHNICIQFGRBHQU-IJLUTSLNSA-N -1 1 315.439 0.976 20 0 DCADMM CC(C)C[C@@H]1C(=O)NCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001589572593 1166667028 /nfs/dbraw/zinc/66/70/28/1166667028.db2.gz QPRDMTSWNGFQNF-SNVBAGLBSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)C[C@@H]1C(=O)NCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001589572593 1166667032 /nfs/dbraw/zinc/66/70/32/1166667032.db2.gz QPRDMTSWNGFQNF-SNVBAGLBSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)C[C@H]1C(=O)NCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589571705 1166667730 /nfs/dbraw/zinc/66/77/30/1166667730.db2.gz MACHZHBOOBPALW-JTQLQIEISA-N -1 1 318.337 0.446 20 0 DCADMM CC(C)C[C@H]1C(=O)NCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589571705 1166667732 /nfs/dbraw/zinc/66/77/32/1166667732.db2.gz MACHZHBOOBPALW-JTQLQIEISA-N -1 1 318.337 0.446 20 0 DCADMM CC(C)COC(=O)N(C)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001589638400 1166671221 /nfs/dbraw/zinc/67/12/21/1166671221.db2.gz VWRHRDLWQXPMJQ-UHFFFAOYSA-N -1 1 306.326 0.710 20 0 DCADMM CC(C)Cc1noc(Cn2ccn3ncc(-c4nn[n-]n4)c23)n1 ZINC001589665107 1166671462 /nfs/dbraw/zinc/67/14/62/1166671462.db2.gz MOKZGHMDPSLMNF-UHFFFAOYSA-N -1 1 313.325 0.946 20 0 DCADMM CC(C)N1CC[C@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C1=O ZINC001589712702 1166674451 /nfs/dbraw/zinc/67/44/51/1166674451.db2.gz ZVRGIJVGSYRRDX-VIFPVBQESA-N -1 1 320.378 0.667 20 0 DCADMM CC(C)OC[C@@H](CO)N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589746002 1166680991 /nfs/dbraw/zinc/68/09/91/1166680991.db2.gz JSHCNIAUCMACOI-SNVBAGLBSA-N -1 1 320.353 0.120 20 0 DCADMM CC(C)OC[C@@H](CO)N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589746002 1166680993 /nfs/dbraw/zinc/68/09/93/1166680993.db2.gz JSHCNIAUCMACOI-SNVBAGLBSA-N -1 1 320.353 0.120 20 0 DCADMM CC(C)OC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001589746013 1166681232 /nfs/dbraw/zinc/68/12/32/1166681232.db2.gz GRHMMTBGHHTQTR-LBPRGKRZSA-N -1 1 304.354 0.892 20 0 DCADMM CC(C)OC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001589746013 1166681233 /nfs/dbraw/zinc/68/12/33/1166681233.db2.gz GRHMMTBGHHTQTR-LBPRGKRZSA-N -1 1 304.354 0.892 20 0 DCADMM CC(C)c1nn(C)cc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589777670 1166684964 /nfs/dbraw/zinc/68/49/64/1166684964.db2.gz IXPWHYKKCSGYMB-UHFFFAOYSA-N -1 1 301.314 0.699 20 0 DCADMM CC(C)c1nn(C)cc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589777670 1166684970 /nfs/dbraw/zinc/68/49/70/1166684970.db2.gz IXPWHYKKCSGYMB-UHFFFAOYSA-N -1 1 301.314 0.699 20 0 DCADMM C[C@H](CC(=O)NCCNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001589791677 1166688048 /nfs/dbraw/zinc/68/80/48/1166688048.db2.gz CKXREIXEKVBASN-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CC(=O)NCCNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001589791677 1166688051 /nfs/dbraw/zinc/68/80/51/1166688051.db2.gz CKXREIXEKVBASN-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CCNC(=O)C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589822895 1166693022 /nfs/dbraw/zinc/69/30/22/1166693022.db2.gz UXQAVHOXIHUUGI-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CCNC(=O)C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589822895 1166693028 /nfs/dbraw/zinc/69/30/28/1166693028.db2.gz UXQAVHOXIHUUGI-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CCCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589821938 1166693629 /nfs/dbraw/zinc/69/36/29/1166693629.db2.gz ZDMMRGLIAMXFAW-ZETCQYMHSA-N -1 1 317.396 0.368 20 0 DCADMM C[C@@H](CCCO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589821938 1166693631 /nfs/dbraw/zinc/69/36/31/1166693631.db2.gz ZDMMRGLIAMXFAW-ZETCQYMHSA-N -1 1 317.396 0.368 20 0 DCADMM C[C@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)C1CC1 ZINC001589846852 1166697754 /nfs/dbraw/zinc/69/77/54/1166697754.db2.gz BFESBCURMFMSTA-MRVPVSSYSA-N -1 1 302.342 0.008 20 0 DCADMM C[C@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)C1CC1 ZINC001589846852 1166697760 /nfs/dbraw/zinc/69/77/60/1166697760.db2.gz BFESBCURMFMSTA-MRVPVSSYSA-N -1 1 302.342 0.008 20 0 DCADMM C[C@H](CNC(=O)C1CC=CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589853148 1166701363 /nfs/dbraw/zinc/70/13/63/1166701363.db2.gz NQEJKLZJJPIABN-SECBINFHSA-N -1 1 314.353 0.540 20 0 DCADMM C[C@H](CNC(=O)C1CC=CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589853148 1166701375 /nfs/dbraw/zinc/70/13/75/1166701375.db2.gz NQEJKLZJJPIABN-SECBINFHSA-N -1 1 314.353 0.540 20 0 DCADMM C[C@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)c1ncon1 ZINC001589868082 1166701964 /nfs/dbraw/zinc/70/19/64/1166701964.db2.gz LCPQPKRLMLWDPF-ZCFIWIBFSA-N -1 1 305.323 0.845 20 0 DCADMM C[C@H](CNc1ncncc1-c1nn[n-]n1)CC1(C)OCCO1 ZINC001589880848 1166705367 /nfs/dbraw/zinc/70/53/67/1166705367.db2.gz VHHCPHIRDNLBJA-VIFPVBQESA-N -1 1 305.342 0.858 20 0 DCADMM C[C@H](CO)CCCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589885999 1166709304 /nfs/dbraw/zinc/70/93/04/1166709304.db2.gz CWNITQLDARTBTQ-VIFPVBQESA-N -1 1 305.342 0.792 20 0 DCADMM C[C@H](CO)CCCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589885999 1166709309 /nfs/dbraw/zinc/70/93/09/1166709309.db2.gz CWNITQLDARTBTQ-VIFPVBQESA-N -1 1 305.342 0.792 20 0 DCADMM C[C@H](Cc1cnn(C)c1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589904295 1166712778 /nfs/dbraw/zinc/71/27/78/1166712778.db2.gz LFIPOFGPXCSCAV-SECBINFHSA-N -1 1 312.337 0.813 20 0 DCADMM C[C@H](Cc1cnn(C)c1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589904295 1166712786 /nfs/dbraw/zinc/71/27/86/1166712786.db2.gz LFIPOFGPXCSCAV-SECBINFHSA-N -1 1 312.337 0.813 20 0 DCADMM C[C@@H](N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)(C)O ZINC001589912351 1166716374 /nfs/dbraw/zinc/71/63/74/1166716374.db2.gz VNHMQHMKJGLVMH-SSDOTTSWSA-N -1 1 308.346 0.223 20 0 DCADMM C[C@@H](N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)(C)O ZINC001589912351 1166716379 /nfs/dbraw/zinc/71/63/79/1166716379.db2.gz VNHMQHMKJGLVMH-SSDOTTSWSA-N -1 1 308.346 0.223 20 0 DCADMM C[C@@](O)(CNC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001589989399 1166736649 /nfs/dbraw/zinc/73/66/49/1166736649.db2.gz USUVYLSGLCDFKA-MRXNPFEDSA-N -1 1 324.344 0.899 20 0 DCADMM C[C@@](O)(CNC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001589989399 1166736652 /nfs/dbraw/zinc/73/66/52/1166736652.db2.gz USUVYLSGLCDFKA-MRXNPFEDSA-N -1 1 324.344 0.899 20 0 DCADMM C[C@](O)(CNC(=O)c1coc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589989409 1166739362 /nfs/dbraw/zinc/73/93/62/1166739362.db2.gz VAFZDGRACVQORA-VIFPVBQESA-N -1 1 305.216 0.503 20 0 DCADMM C[C@](O)(CNC(=O)c1coc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589989409 1166739369 /nfs/dbraw/zinc/73/93/69/1166739369.db2.gz VAFZDGRACVQORA-VIFPVBQESA-N -1 1 305.216 0.503 20 0 DCADMM C[C@@H](O)[C@@H]1CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001589995611 1166739664 /nfs/dbraw/zinc/73/96/64/1166739664.db2.gz MVFSDBGXSWIPDT-HTQZYQBOSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H](O)[C@@H]1CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001589995611 1166739674 /nfs/dbraw/zinc/73/96/74/1166739674.db2.gz MVFSDBGXSWIPDT-HTQZYQBOSA-N -1 1 323.382 0.236 20 0 DCADMM CC1(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590129161 1166781724 /nfs/dbraw/zinc/78/17/24/1166781724.db2.gz IVNWKRWGZVMTRL-UHFFFAOYSA-N -1 1 301.310 0.117 20 0 DCADMM CC1(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590129161 1166781727 /nfs/dbraw/zinc/78/17/27/1166781727.db2.gz IVNWKRWGZVMTRL-UHFFFAOYSA-N -1 1 301.310 0.117 20 0 DCADMM C[C@@]1(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)CCCO1 ZINC001590131644 1166785184 /nfs/dbraw/zinc/78/51/84/1166785184.db2.gz KLTLORRHHIQBLF-LBPRGKRZSA-N -1 1 323.382 0.692 20 0 DCADMM C[C@@]1(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)CCCO1 ZINC001590131644 1166785189 /nfs/dbraw/zinc/78/51/89/1166785189.db2.gz KLTLORRHHIQBLF-LBPRGKRZSA-N -1 1 323.382 0.692 20 0 DCADMM C[C@]1(COC(=O)c2sccc2-c2nn[n-]n2)CNC(=O)C1 ZINC001590139778 1166788565 /nfs/dbraw/zinc/78/85/65/1166788565.db2.gz LWWQJVSEQGSILP-GFCCVEGCSA-N -1 1 307.335 0.611 20 0 DCADMM C[C@H]1C[C@H](CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590195195 1166807582 /nfs/dbraw/zinc/80/75/82/1166807582.db2.gz YJEWYJSFKZECDJ-VHSXEESVSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1C[C@H](CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001590195195 1166807586 /nfs/dbraw/zinc/80/75/86/1166807586.db2.gz YJEWYJSFKZECDJ-VHSXEESVSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CS1 ZINC001590200953 1166809483 /nfs/dbraw/zinc/80/94/83/1166809483.db2.gz SSTUVXVZMZLMOL-BQBZGAKWSA-N -1 1 308.371 0.616 20 0 DCADMM C[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CS1 ZINC001590200953 1166809486 /nfs/dbraw/zinc/80/94/86/1166809486.db2.gz SSTUVXVZMZLMOL-BQBZGAKWSA-N -1 1 308.371 0.616 20 0 DCADMM C[C@@H]1CC(NC(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC001590203127 1166813726 /nfs/dbraw/zinc/81/37/26/1166813726.db2.gz MKEKXNGTSWRFBR-RKDXNWHRSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@@H]1CC(NC(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC001590203127 1166813731 /nfs/dbraw/zinc/81/37/31/1166813731.db2.gz MKEKXNGTSWRFBR-RKDXNWHRSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590214805 1166814419 /nfs/dbraw/zinc/81/44/19/1166814419.db2.gz CUNXKIWSFIMLOU-LTFJCZIQSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590214805 1166814423 /nfs/dbraw/zinc/81/44/23/1166814423.db2.gz CUNXKIWSFIMLOU-LTFJCZIQSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590214467 1166814534 /nfs/dbraw/zinc/81/45/34/1166814534.db2.gz NDUQALIEMHSFSI-DTWKUNHWSA-N -1 1 302.342 0.183 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590214467 1166814540 /nfs/dbraw/zinc/81/45/40/1166814540.db2.gz NDUQALIEMHSFSI-DTWKUNHWSA-N -1 1 302.342 0.183 20 0 DCADMM C[C@H]1CC[C@@H](Nc2ncncc2-c2nn[n-]n2)CS1(=O)=O ZINC001590240737 1166822915 /nfs/dbraw/zinc/82/29/15/1166822915.db2.gz UGIWZGNPPOCVCQ-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CCC[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)O1 ZINC001590244268 1166826457 /nfs/dbraw/zinc/82/64/57/1166826457.db2.gz RZNRAXFKCHHNEG-UWVGGRQHSA-N -1 1 302.338 0.949 20 0 DCADMM C[C@H]1CCC[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)O1 ZINC001590244268 1166826465 /nfs/dbraw/zinc/82/64/65/1166826465.db2.gz RZNRAXFKCHHNEG-UWVGGRQHSA-N -1 1 302.338 0.949 20 0 DCADMM C[C@@H]1CCC[C@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001590247397 1166827332 /nfs/dbraw/zinc/82/73/32/1166827332.db2.gz JVCXGIRPPBNSAU-SFYZADRCSA-N -1 1 305.342 0.514 20 0 DCADMM C[C@H]1CC[N@H+](Cc2cc(=O)n3[n-]cc(-c4nn[n-]n4)c3n2)C1 ZINC001590272133 1166834300 /nfs/dbraw/zinc/83/43/00/1166834300.db2.gz PEHVCUNBYFGJMJ-QMMMGPOBSA-N -1 1 300.326 0.457 20 0 DCADMM C[C@H]1CC[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nn[n-]n4)c3n2)C1 ZINC001590272133 1166834304 /nfs/dbraw/zinc/83/43/04/1166834304.db2.gz PEHVCUNBYFGJMJ-QMMMGPOBSA-N -1 1 300.326 0.457 20 0 DCADMM C[C@H]1CCSCCN1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001590277105 1166837242 /nfs/dbraw/zinc/83/72/42/1166837242.db2.gz GMPXBOQXVXBBPZ-JTQLQIEISA-N -1 1 306.395 0.813 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1O ZINC001590291267 1166842979 /nfs/dbraw/zinc/84/29/79/1166842979.db2.gz BNCKKUZXYOLADP-CABZTGNLSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1O ZINC001590291267 1166842989 /nfs/dbraw/zinc/84/29/89/1166842989.db2.gz BNCKKUZXYOLADP-CABZTGNLSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H](CO)O1 ZINC001590316427 1166859004 /nfs/dbraw/zinc/85/90/04/1166859004.db2.gz MIQNXIXVGJGUAL-RITPCOANSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H](CO)O1 ZINC001590316427 1166859006 /nfs/dbraw/zinc/85/90/06/1166859006.db2.gz MIQNXIXVGJGUAL-RITPCOANSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@H]1C ZINC001590331343 1166869355 /nfs/dbraw/zinc/86/93/55/1166869355.db2.gz MDMLRNLHVVBMPL-FXQIFTODSA-N -1 1 320.378 0.666 20 0 DCADMM C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC001590331343 1166869359 /nfs/dbraw/zinc/86/93/59/1166869359.db2.gz MDMLRNLHVVBMPL-FXQIFTODSA-N -1 1 320.378 0.666 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590333386 1166871519 /nfs/dbraw/zinc/87/15/19/1166871519.db2.gz DAYPRCPRDDUREQ-QHOPCYEYSA-N -1 1 305.342 0.598 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590333386 1166871523 /nfs/dbraw/zinc/87/15/23/1166871523.db2.gz DAYPRCPRDDUREQ-QHOPCYEYSA-N -1 1 305.342 0.598 20 0 DCADMM C[C@H]1OCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)[C@H]1C ZINC001590336057 1166874759 /nfs/dbraw/zinc/87/47/59/1166874759.db2.gz JHFNGZKWKODWRQ-JGVFFNPUSA-N -1 1 323.382 0.642 20 0 DCADMM C[C@H]1OCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)[C@H]1C ZINC001590336057 1166874766 /nfs/dbraw/zinc/87/47/66/1166874766.db2.gz JHFNGZKWKODWRQ-JGVFFNPUSA-N -1 1 323.382 0.642 20 0 DCADMM C[C@@H]1SCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590337205 1166874793 /nfs/dbraw/zinc/87/47/93/1166874793.db2.gz OCBTVUZCBNHOKY-WCBMZHEXSA-N -1 1 304.379 0.814 20 0 DCADMM C[C@@H]1SCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590337205 1166874794 /nfs/dbraw/zinc/87/47/94/1166874794.db2.gz OCBTVUZCBNHOKY-WCBMZHEXSA-N -1 1 304.379 0.814 20 0 DCADMM C/C=C(/C)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590341421 1166875504 /nfs/dbraw/zinc/87/55/04/1166875504.db2.gz GJKVHNKPRNAGPR-KSXVILFYSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(/C)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590341421 1166875511 /nfs/dbraw/zinc/87/55/11/1166875511.db2.gz GJKVHNKPRNAGPR-KSXVILFYSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(/C)C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001590346373 1166880051 /nfs/dbraw/zinc/88/00/51/1166880051.db2.gz FRMSLSVNSWSAHB-FWAPLPHYSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(/C)C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001590346373 1166880057 /nfs/dbraw/zinc/88/00/57/1166880057.db2.gz FRMSLSVNSWSAHB-FWAPLPHYSA-N -1 1 316.369 0.930 20 0 DCADMM CC=CC[C@H]1NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001590354789 1166881892 /nfs/dbraw/zinc/88/18/92/1166881892.db2.gz MYCNKHUICXYRSV-TYWZFMJISA-N -1 1 319.350 0.710 20 0 DCADMM CC=CC[C@H]1NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001590354789 1166881895 /nfs/dbraw/zinc/88/18/95/1166881895.db2.gz MYCNKHUICXYRSV-TYWZFMJISA-N -1 1 319.350 0.710 20 0 DCADMM CCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001590362332 1166887430 /nfs/dbraw/zinc/88/74/30/1166887430.db2.gz HWIFWFPGABMUJY-UHFFFAOYSA-N -1 1 317.353 0.791 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590365803 1166888833 /nfs/dbraw/zinc/88/88/33/1166888833.db2.gz QVRWHIFSEIYKRK-SECBINFHSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590365803 1166888837 /nfs/dbraw/zinc/88/88/37/1166888837.db2.gz QVRWHIFSEIYKRK-SECBINFHSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001590364767 1166890300 /nfs/dbraw/zinc/89/03/00/1166890300.db2.gz CTQDPAZPVQKAKD-YWVKMMECSA-N -1 1 314.353 0.293 20 0 DCADMM CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001590364767 1166890305 /nfs/dbraw/zinc/89/03/05/1166890305.db2.gz CTQDPAZPVQKAKD-YWVKMMECSA-N -1 1 314.353 0.293 20 0 DCADMM CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590411863 1166899788 /nfs/dbraw/zinc/89/97/88/1166899788.db2.gz CKMYFQKRHQCLET-SFYZADRCSA-N -1 1 307.310 0.920 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590451769 1166910433 /nfs/dbraw/zinc/91/04/33/1166910433.db2.gz MNUMFIXJQXZXQK-SECBINFHSA-N -1 1 322.348 0.087 20 0 DCADMM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H](O)C(C)C ZINC001590460221 1166915093 /nfs/dbraw/zinc/91/50/93/1166915093.db2.gz ZJXCUPVOHPPSFZ-SKDRFNHKSA-N -1 1 304.354 0.787 20 0 DCADMM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H](O)C(C)C ZINC001590460221 1166915103 /nfs/dbraw/zinc/91/51/03/1166915103.db2.gz ZJXCUPVOHPPSFZ-SKDRFNHKSA-N -1 1 304.354 0.787 20 0 DCADMM CCC1(CC(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)COC1 ZINC001590491078 1166923222 /nfs/dbraw/zinc/92/32/22/1166923222.db2.gz AOXIIZNUDWFZFX-UHFFFAOYSA-N -1 1 305.342 0.664 20 0 DCADMM CCC1(CC(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)COC1 ZINC001590491078 1166923227 /nfs/dbraw/zinc/92/32/27/1166923227.db2.gz AOXIIZNUDWFZFX-UHFFFAOYSA-N -1 1 305.342 0.664 20 0 DCADMM CC[C@@H]1CN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CCCO1 ZINC001590516962 1166930077 /nfs/dbraw/zinc/93/00/77/1166930077.db2.gz LJEPBWLXGBSZNR-VHSXEESVSA-N -1 1 320.357 0.047 20 0 DCADMM CC[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)[C@H](C)CO1 ZINC001590517745 1166931085 /nfs/dbraw/zinc/93/10/85/1166931085.db2.gz HUCVHLWVBPAEPA-PSASIEDQSA-N -1 1 320.353 0.732 20 0 DCADMM CC[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)[C@H](C)CO1 ZINC001590517745 1166931090 /nfs/dbraw/zinc/93/10/90/1166931090.db2.gz HUCVHLWVBPAEPA-PSASIEDQSA-N -1 1 320.353 0.732 20 0 DCADMM CC/C=C(/C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590526197 1166936050 /nfs/dbraw/zinc/93/60/50/1166936050.db2.gz XQTCZFBOADXKPF-YHYXMXQVSA-N -1 1 316.369 0.883 20 0 DCADMM CC/C=C(/C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590526197 1166936058 /nfs/dbraw/zinc/93/60/58/1166936058.db2.gz XQTCZFBOADXKPF-YHYXMXQVSA-N -1 1 316.369 0.883 20 0 DCADMM CC/C=C(\C)C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590536019 1166936153 /nfs/dbraw/zinc/93/61/53/1166936153.db2.gz SXDMEVXQYGILJT-BJMVGYQFSA-N -1 1 316.369 0.931 20 0 DCADMM CC/C=C(\C)C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590536019 1166936158 /nfs/dbraw/zinc/93/61/58/1166936158.db2.gz SXDMEVXQYGILJT-BJMVGYQFSA-N -1 1 316.369 0.931 20 0 DCADMM CCCC(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001590531805 1166937856 /nfs/dbraw/zinc/93/78/56/1166937856.db2.gz OLJPGEVBXVTYDR-SECBINFHSA-N -1 1 304.358 0.716 20 0 DCADMM CCCC(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001590531805 1166937861 /nfs/dbraw/zinc/93/78/61/1166937861.db2.gz OLJPGEVBXVTYDR-SECBINFHSA-N -1 1 304.358 0.716 20 0 DCADMM CCC[C@@H]1C(=O)NCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590568221 1166944454 /nfs/dbraw/zinc/94/44/54/1166944454.db2.gz ZIVNKDPZQJTGGO-SNVBAGLBSA-N -1 1 302.342 0.070 20 0 DCADMM CCC[C@@H]1C(=O)NCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590568221 1166944460 /nfs/dbraw/zinc/94/44/60/1166944460.db2.gz ZIVNKDPZQJTGGO-SNVBAGLBSA-N -1 1 302.342 0.070 20 0 DCADMM 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ZINC001591251558 1167179420 /nfs/dbraw/zinc/17/94/20/1167179420.db2.gz DQDZOVYXNBNHIN-UHFFFAOYSA-N -1 1 305.294 0.485 20 0 DCADMM COC(=O)CCCCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001591261839 1167183158 /nfs/dbraw/zinc/18/31/58/1167183158.db2.gz CETOKAPOPCFOCG-UHFFFAOYSA-N -1 1 317.349 0.860 20 0 DCADMM COC(=O)CC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001591263041 1167186291 /nfs/dbraw/zinc/18/62/91/1167186291.db2.gz OXVFWEZELPQEHH-JTQLQIEISA-N -1 1 317.353 0.826 20 0 DCADMM COC(=O)CC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001591263041 1167186293 /nfs/dbraw/zinc/18/62/93/1167186293.db2.gz OXVFWEZELPQEHH-JTQLQIEISA-N -1 1 317.353 0.826 20 0 DCADMM COC(=O)CC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001591262970 1167186298 /nfs/dbraw/zinc/18/62/98/1167186298.db2.gz KWTOYGBCWIAYBP-JTQLQIEISA-N -1 1 317.353 0.826 20 0 DCADMM COC(=O)CC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001591262970 1167186300 /nfs/dbraw/zinc/18/63/00/1167186300.db2.gz KWTOYGBCWIAYBP-JTQLQIEISA-N -1 1 317.353 0.826 20 0 DCADMM COC(=O)CCc1nnn(Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001591266646 1167188919 /nfs/dbraw/zinc/18/89/19/1167188919.db2.gz QPTOJSVEVWQMIT-UHFFFAOYSA-N -1 1 320.338 0.069 20 0 DCADMM COC(=O)C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001591270432 1167192470 /nfs/dbraw/zinc/19/24/70/1167192470.db2.gz UFSWIAJXAVSCGJ-RKDXNWHRSA-N -1 1 303.326 0.292 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC2(O)CCCC2)c1 ZINC001591286662 1167200692 /nfs/dbraw/zinc/20/06/92/1167200692.db2.gz ONNKHCLRYVAZDB-UHFFFAOYSA-N -1 1 319.321 0.120 20 0 DCADMM COC(=O)[C@H]1CC[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC001591283915 1167201829 /nfs/dbraw/zinc/20/18/29/1167201829.db2.gz ZEFYARGZPDPCLJ-ZKCHVHJHSA-N -1 1 319.325 0.265 20 0 DCADMM COC(=O)c1ccc(N[C@H](C)C(OC)OC)c(-c2nnn[n-]2)n1 ZINC001591296981 1167204416 /nfs/dbraw/zinc/20/44/16/1167204416.db2.gz ZFAZTXZTOSYJSI-SSDOTTSWSA-N -1 1 322.325 0.468 20 0 DCADMM COC(=O)c1ccc(N[C@H](C)C(OC)OC)c(-c2nn[n-]n2)n1 ZINC001591296981 1167204420 /nfs/dbraw/zinc/20/44/20/1167204420.db2.gz ZFAZTXZTOSYJSI-SSDOTTSWSA-N -1 1 322.325 0.468 20 0 DCADMM COC(=O)c1coc(CNC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001591307415 1167207087 /nfs/dbraw/zinc/20/70/87/1167207087.db2.gz GZCOWWITRLNKMR-UHFFFAOYSA-N -1 1 317.261 0.769 20 0 DCADMM COC(=O)c1coc(CNC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001591307415 1167207094 /nfs/dbraw/zinc/20/70/94/1167207094.db2.gz GZCOWWITRLNKMR-UHFFFAOYSA-N -1 1 317.261 0.769 20 0 DCADMM COC(C)(C)CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591314425 1167209786 /nfs/dbraw/zinc/20/97/86/1167209786.db2.gz PVRAITANBARBOB-UHFFFAOYSA-N -1 1 311.371 0.547 20 0 DCADMM COC(C)(C)CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591314425 1167209793 /nfs/dbraw/zinc/20/97/93/1167209793.db2.gz PVRAITANBARBOB-UHFFFAOYSA-N -1 1 311.371 0.547 20 0 DCADMM CO[C@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001591319043 1167211981 /nfs/dbraw/zinc/21/19/81/1167211981.db2.gz ZNLGBFJOUUUDGN-CQSZACIVSA-N -1 1 302.338 0.807 20 0 DCADMM CO[C@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001591319043 1167211987 /nfs/dbraw/zinc/21/19/87/1167211987.db2.gz ZNLGBFJOUUUDGN-CQSZACIVSA-N -1 1 302.338 0.807 20 0 DCADMM CO[C@H](C)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591323381 1167214685 /nfs/dbraw/zinc/21/46/85/1167214685.db2.gz ZMXQDTHIUYGAKE-SSDOTTSWSA-N -1 1 317.396 0.584 20 0 DCADMM CO[C@H](C)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591323381 1167214691 /nfs/dbraw/zinc/21/46/91/1167214691.db2.gz ZMXQDTHIUYGAKE-SSDOTTSWSA-N -1 1 317.396 0.584 20 0 DCADMM COC1(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)CC1 ZINC001591335735 1167219352 /nfs/dbraw/zinc/21/93/52/1167219352.db2.gz KLOKCSHSHNENOF-UHFFFAOYSA-N -1 1 300.322 0.720 20 0 DCADMM COC1(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)CC1 ZINC001591335735 1167219357 /nfs/dbraw/zinc/21/93/57/1167219357.db2.gz KLOKCSHSHNENOF-UHFFFAOYSA-N -1 1 300.322 0.720 20 0 DCADMM CO[C@]1(C(F)(F)F)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001591338917 1167222550 /nfs/dbraw/zinc/22/25/50/1167222550.db2.gz 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COCC1=CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC001591392642 1167261415 /nfs/dbraw/zinc/26/14/15/1167261415.db2.gz PSKORPQXUNAVNF-UHFFFAOYSA-N -1 1 318.341 0.411 20 0 DCADMM COCC1=CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC001591392642 1167261423 /nfs/dbraw/zinc/26/14/23/1167261423.db2.gz PSKORPQXUNAVNF-UHFFFAOYSA-N -1 1 318.341 0.411 20 0 DCADMM COC[C@@H]1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591394290 1167262007 /nfs/dbraw/zinc/26/20/07/1167262007.db2.gz PHQJNYLIKJSAOD-SECBINFHSA-N -1 1 303.326 0.762 20 0 DCADMM COC[C@@H]1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591394290 1167262014 /nfs/dbraw/zinc/26/20/14/1167262014.db2.gz PHQJNYLIKJSAOD-SECBINFHSA-N -1 1 303.326 0.762 20 0 DCADMM COC[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC001591395271 1167263449 /nfs/dbraw/zinc/26/34/49/1167263449.db2.gz ASBXRSFVIBNGCF-CBAPKCEASA-N -1 1 310.383 0.872 20 0 DCADMM COC[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001591395842 1167264226 /nfs/dbraw/zinc/26/42/26/1167264226.db2.gz 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-1 1 324.304 0.712 20 0 DCADMM COc1ncc(NC(=O)c2cccc(=O)[nH]2)cc1-c1nn[n-]n1 ZINC001591668301 1167345491 /nfs/dbraw/zinc/34/54/91/1167345491.db2.gz WPBYUAXCHQFEND-UHFFFAOYSA-N -1 1 313.277 0.623 20 0 DCADMM CS(=O)(=O)C1CCN(Cc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001591673002 1167348341 /nfs/dbraw/zinc/34/83/41/1167348341.db2.gz CUVUSYKMLAEWIU-UHFFFAOYSA-N -1 1 322.394 0.271 20 0 DCADMM CS(=O)(=O)C1CCN(Cc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001591673002 1167348347 /nfs/dbraw/zinc/34/83/47/1167348347.db2.gz CUVUSYKMLAEWIU-UHFFFAOYSA-N -1 1 322.394 0.271 20 0 DCADMM CS(=O)(=O)C1CN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001591673287 1167349685 /nfs/dbraw/zinc/34/96/85/1167349685.db2.gz LWKCADHAWOONTN-UHFFFAOYSA-N -1 1 320.787 0.210 20 0 DCADMM CS(=O)(=O)C1CN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001591673287 1167349694 /nfs/dbraw/zinc/34/96/94/1167349694.db2.gz LWKCADHAWOONTN-UHFFFAOYSA-N -1 1 320.787 0.210 20 0 DCADMM CS(=O)(=O)CCCOC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591675019 1167351949 /nfs/dbraw/zinc/35/19/49/1167351949.db2.gz NQDGQXQJXVBQKC-UHFFFAOYSA-N -1 1 316.364 0.520 20 0 DCADMM CS(=O)(=O)CCCOC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591675019 1167351952 /nfs/dbraw/zinc/35/19/52/1167351952.db2.gz NQDGQXQJXVBQKC-UHFFFAOYSA-N -1 1 316.364 0.520 20 0 DCADMM C[S@](=O)CCNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591684159 1167354697 /nfs/dbraw/zinc/35/46/97/1167354697.db2.gz NATQGSXBBISGJU-NRFANRHFSA-N -1 1 315.305 0.253 20 0 DCADMM C[S@](=O)CCNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591684159 1167354701 /nfs/dbraw/zinc/35/47/01/1167354701.db2.gz NATQGSXBBISGJU-NRFANRHFSA-N -1 1 315.305 0.253 20 0 DCADMM CSCC[C@@H](O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001591700739 1167357739 /nfs/dbraw/zinc/35/77/39/1167357739.db2.gz SRFKABHDABGLCA-SNVBAGLBSA-N -1 1 309.351 0.625 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@H](F)C2)cc1-c1nn[n-]n1 ZINC001591704315 1167359083 /nfs/dbraw/zinc/35/90/83/1167359083.db2.gz RUHDSAWWEFPQAF-LURJTMIESA-N -1 1 324.341 0.873 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)OC(C)(C)C ZINC001591729432 1167363177 /nfs/dbraw/zinc/36/31/77/1167363177.db2.gz PXRGGAJJQOETAK-SSDOTTSWSA-N -1 1 307.310 0.920 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)OC(C)(C)C ZINC001591729432 1167363181 /nfs/dbraw/zinc/36/31/81/1167363181.db2.gz PXRGGAJJQOETAK-SSDOTTSWSA-N -1 1 307.310 0.920 20 0 DCADMM C[C@H](O)C1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591770284 1167372247 /nfs/dbraw/zinc/37/22/47/1167372247.db2.gz OUUCHGVLIYYHOA-VIFPVBQESA-N -1 1 317.353 0.886 20 0 DCADMM C[C@H](O)C1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591770284 1167372252 /nfs/dbraw/zinc/37/22/52/1167372252.db2.gz OUUCHGVLIYYHOA-VIFPVBQESA-N -1 1 317.353 0.886 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)nn2)nn1C ZINC001591796847 1167380952 /nfs/dbraw/zinc/38/09/52/1167380952.db2.gz BPZOLKAQCCEAHZ-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)nn2)nn1C ZINC001591796847 1167380958 /nfs/dbraw/zinc/38/09/58/1167380958.db2.gz BPZOLKAQCCEAHZ-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCc2cccnc2)nn1C ZINC001591797490 1167383714 /nfs/dbraw/zinc/38/37/14/1167383714.db2.gz YORLOVPEGTZZEB-UHFFFAOYSA-N -1 1 312.337 0.875 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCc2cccnc2)nn1C ZINC001591797490 1167383717 /nfs/dbraw/zinc/38/37/17/1167383717.db2.gz YORLOVPEGTZZEB-UHFFFAOYSA-N -1 1 312.337 0.875 20 0 DCADMM Cc1c(CCC(=O)Nc2cccc(-c3nnn[n-]3)n2)cnn1C ZINC001591819002 1167389060 /nfs/dbraw/zinc/38/90/60/1167389060.db2.gz PCPWUXXKRKMFSL-UHFFFAOYSA-N -1 1 312.337 0.875 20 0 DCADMM Cc1c(CCC(=O)Nc2cccc(-c3nn[n-]n3)n2)cnn1C ZINC001591819002 1167389065 /nfs/dbraw/zinc/38/90/65/1167389065.db2.gz PCPWUXXKRKMFSL-UHFFFAOYSA-N -1 1 312.337 0.875 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N2CCCC[C@@H]2C)c1 ZINC001591836328 1167389906 /nfs/dbraw/zinc/38/99/06/1167389906.db2.gz MLHVXTBTIFIVKN-NSHDSACASA-N -1 1 316.365 0.738 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@@H]2C[C@@H]21 ZINC001591835242 1167390528 /nfs/dbraw/zinc/39/05/28/1167390528.db2.gz QWXFAEIZTUHDIF-SCZZXKLOSA-N -1 1 300.322 0.900 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@]1(C)CCCO1 ZINC001591835514 1167391346 /nfs/dbraw/zinc/39/13/46/1167391346.db2.gz CJEVUYHHYHAMAE-CQSZACIVSA-N -1 1 318.337 0.575 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C(N)=O)CC[C@H]2C)n1 ZINC001591883889 1167408632 /nfs/dbraw/zinc/40/86/32/1167408632.db2.gz LBAMVBKMWJJPDF-BDAKNGLRSA-N -1 1 302.342 0.055 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C(N)=O)CC[C@H]2C)n1 ZINC001591883889 1167408634 /nfs/dbraw/zinc/40/86/34/1167408634.db2.gz LBAMVBKMWJJPDF-BDAKNGLRSA-N -1 1 302.342 0.055 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2C2OCCO2)n1 ZINC001591888682 1167411014 /nfs/dbraw/zinc/41/10/14/1167411014.db2.gz OCRYCLNPZGCROV-JTQLQIEISA-N -1 1 303.326 0.307 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2C2OCCO2)n1 ZINC001591888682 1167411019 /nfs/dbraw/zinc/41/10/19/1167411019.db2.gz OCRYCLNPZGCROV-JTQLQIEISA-N -1 1 303.326 0.307 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](O)c2cncs2)n1 ZINC001591895763 1167412511 /nfs/dbraw/zinc/41/25/11/1167412511.db2.gz BCPLDQZBORZFAQ-MRVPVSSYSA-N -1 1 304.339 0.567 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](O)c2cncs2)n1 ZINC001591895763 1167412516 /nfs/dbraw/zinc/41/25/16/1167412516.db2.gz BCPLDQZBORZFAQ-MRVPVSSYSA-N -1 1 304.339 0.567 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)C(C)C)n1 ZINC001591892034 1167413098 /nfs/dbraw/zinc/41/30/98/1167413098.db2.gz PKHXLVTZEYGDJO-SECBINFHSA-N -1 1 304.358 0.538 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)C(C)C)n1 ZINC001591892034 1167413099 /nfs/dbraw/zinc/41/30/99/1167413099.db2.gz PKHXLVTZEYGDJO-SECBINFHSA-N -1 1 304.358 0.538 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc(C)nnc2C)nn1C ZINC001591934982 1167420866 /nfs/dbraw/zinc/42/08/66/1167420866.db2.gz BFLALGJJTCOQTL-UHFFFAOYSA-N -1 1 313.325 0.568 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc(C)nnc2C)nn1C ZINC001591934982 1167420869 /nfs/dbraw/zinc/42/08/69/1167420869.db2.gz BFLALGJJTCOQTL-UHFFFAOYSA-N -1 1 313.325 0.568 20 0 DCADMM Cc1cc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)sn1 ZINC001592016877 1167434893 /nfs/dbraw/zinc/43/48/93/1167434893.db2.gz ZFYLRICMJUUXLX-ZCFIWIBFSA-N -1 1 305.327 0.423 20 0 DCADMM Cc1cc(N[C@H](CO)C[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001592035675 1167442403 /nfs/dbraw/zinc/44/24/03/1167442403.db2.gz LGAWIQMADBLZEQ-RYUDHWBXSA-N -1 1 304.354 0.334 20 0 DCADMM Cc1cc(N[C@H](CO)C[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001592035675 1167442407 /nfs/dbraw/zinc/44/24/07/1167442407.db2.gz LGAWIQMADBLZEQ-RYUDHWBXSA-N -1 1 304.354 0.334 20 0 DCADMM Cc1cc(NC[C@@H](CO)[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592042088 1167443440 /nfs/dbraw/zinc/44/34/40/1167443440.db2.gz XAPUSDSXRMPONO-MNOVXSKESA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(NC[C@@H](CO)[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592042088 1167443446 /nfs/dbraw/zinc/44/34/46/1167443446.db2.gz XAPUSDSXRMPONO-MNOVXSKESA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(N[C@@H]2COc3ccccc3[C@@H]2O)cc(-c2nnn[n-]2)n1 ZINC001592040483 1167443827 /nfs/dbraw/zinc/44/38/27/1167443827.db2.gz ZCCDDSBIRXIERZ-HIFRSBDPSA-N -1 1 324.344 0.899 20 0 DCADMM Cc1cc(N[C@@H]2COc3ccccc3[C@@H]2O)cc(-c2nn[n-]n2)n1 ZINC001592040483 1167443830 /nfs/dbraw/zinc/44/38/30/1167443830.db2.gz ZCCDDSBIRXIERZ-HIFRSBDPSA-N -1 1 324.344 0.899 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001592110923 1167457545 /nfs/dbraw/zinc/45/75/45/1167457545.db2.gz XFMWXBVDTUHCKP-LLVKDONJSA-N -1 1 313.365 0.771 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](CO)[C@@H]1CCOC1 ZINC001592114093 1167459143 /nfs/dbraw/zinc/45/91/43/1167459143.db2.gz NVEKNITWKXAUNZ-MNOVXSKESA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CC[C@H](C)[S@@](=O)CC1 ZINC001592109752 1167459165 /nfs/dbraw/zinc/45/91/65/1167459165.db2.gz AGFHMFYHXKHQBX-CWKPULSASA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@H](C)[S@@](=O)CC1 ZINC001592109752 1167459170 /nfs/dbraw/zinc/45/91/70/1167459170.db2.gz AGFHMFYHXKHQBX-CWKPULSASA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001592110090 1167459420 /nfs/dbraw/zinc/45/94/20/1167459420.db2.gz JMORZQOAZYTUMY-JTQLQIEISA-N -1 1 322.394 0.584 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001592110090 1167459424 /nfs/dbraw/zinc/45/94/24/1167459424.db2.gz JMORZQOAZYTUMY-JTQLQIEISA-N -1 1 322.394 0.584 20 0 DCADMM Cc1ccc(C[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592148428 1167464102 /nfs/dbraw/zinc/46/41/02/1167464102.db2.gz QSXVNTGXVMXNEO-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccc(C[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592148428 1167464108 /nfs/dbraw/zinc/46/41/08/1167464108.db2.gz QSXVNTGXVMXNEO-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccc(N2CCC3(CC2)COCCO3)nc1-c1nnn[n-]1 ZINC001592177946 1167469690 /nfs/dbraw/zinc/46/96/90/1167469690.db2.gz PNCWFVRSUIMNAI-UHFFFAOYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(N2CCC3(CC2)COCCO3)nc1-c1nn[n-]n1 ZINC001592177946 1167469695 /nfs/dbraw/zinc/46/96/95/1167469695.db2.gz PNCWFVRSUIMNAI-UHFFFAOYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(N(C)C(=O)Cc2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001592177094 1167469930 /nfs/dbraw/zinc/46/99/30/1167469930.db2.gz ZZDFPKDBYISXRH-UHFFFAOYSA-N -1 1 310.321 0.566 20 0 DCADMM Cc1ccc(N(C)C(=O)Cc2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001592177094 1167469936 /nfs/dbraw/zinc/46/99/36/1167469936.db2.gz ZZDFPKDBYISXRH-UHFFFAOYSA-N -1 1 310.321 0.566 20 0 DCADMM Cc1ccc(N[C@@H]2CCc3nnn(C)c3C2)c(-c2nnn[n-]2)n1 ZINC001592183408 1167470014 /nfs/dbraw/zinc/47/00/14/1167470014.db2.gz CYESBHSSGMJOQG-SECBINFHSA-N -1 1 311.353 0.668 20 0 DCADMM Cc1ccc(N[C@@H]2CCc3nnn(C)c3C2)c(-c2nn[n-]n2)n1 ZINC001592183408 1167470022 /nfs/dbraw/zinc/47/00/22/1167470022.db2.gz CYESBHSSGMJOQG-SECBINFHSA-N -1 1 311.353 0.668 20 0 DCADMM Cc1ccc(NC[C@@]2(CCO)CCOC2)nc1-c1nnn[n-]1 ZINC001592183307 1167470174 /nfs/dbraw/zinc/47/01/74/1167470174.db2.gz PJGPXAXHSYSFAZ-CQSZACIVSA-N -1 1 304.354 0.771 20 0 DCADMM Cc1ccc(NC[C@@]2(CCO)CCOC2)nc1-c1nn[n-]n1 ZINC001592183307 1167470179 /nfs/dbraw/zinc/47/01/79/1167470179.db2.gz PJGPXAXHSYSFAZ-CQSZACIVSA-N -1 1 304.354 0.771 20 0 DCADMM Cc1ccc(NC[C@@H]2CC(=O)N(C3CC3)C2)nc1-c1nnn[n-]1 ZINC001592182872 1167470685 /nfs/dbraw/zinc/47/06/85/1167470685.db2.gz CKLGIMBREOEABK-JTQLQIEISA-N -1 1 313.365 0.993 20 0 DCADMM Cc1ccc(NC[C@@H]2CC(=O)N(C3CC3)C2)nc1-c1nn[n-]n1 ZINC001592182872 1167470689 /nfs/dbraw/zinc/47/06/89/1167470689.db2.gz CKLGIMBREOEABK-JTQLQIEISA-N -1 1 313.365 0.993 20 0 DCADMM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001592191127 1167472444 /nfs/dbraw/zinc/47/24/44/1167472444.db2.gz QBFHFNPFNDTMGZ-UHFFFAOYSA-N -1 1 307.291 0.931 20 0 DCADMM Cc1ccc(NCCCn2cc(CO)nn2)c(-c2nnn[n-]2)n1 ZINC001592185503 1167472463 /nfs/dbraw/zinc/47/24/63/1167472463.db2.gz AIAVEEHGANADGN-UHFFFAOYSA-N -1 1 315.341 0.156 20 0 DCADMM Cc1ccc(NCCCn2cc(CO)nn2)c(-c2nn[n-]n2)n1 ZINC001592185503 1167472466 /nfs/dbraw/zinc/47/24/66/1167472466.db2.gz AIAVEEHGANADGN-UHFFFAOYSA-N -1 1 315.341 0.156 20 0 DCADMM Cc1cccc2c1OC[C@H](Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001592245224 1167477329 /nfs/dbraw/zinc/47/73/29/1167477329.db2.gz FKKCHPUJULOOOS-LLVKDONJSA-N -1 1 309.333 0.803 20 0 DCADMM Cc1cccc(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001592235927 1167478008 /nfs/dbraw/zinc/47/80/08/1167478008.db2.gz ZGRPFEMUNCBOLQ-UHFFFAOYSA-N -1 1 313.325 0.588 20 0 DCADMM Cc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001592230845 1167478746 /nfs/dbraw/zinc/47/87/46/1167478746.db2.gz POGOUIQNHVCCMZ-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1ccn(CN(C)Cc2ccns2)c(=O)c1-c1nn[n-]n1 ZINC001592267626 1167480058 /nfs/dbraw/zinc/48/00/58/1167480058.db2.gz SJLRMMHXNBOCHR-UHFFFAOYSA-N -1 1 317.378 0.883 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnn3ccc(C)nc23)c1-c1nn[n-]n1 ZINC001592271364 1167480739 /nfs/dbraw/zinc/48/07/39/1167480739.db2.gz ZUWAZYLEXARFIU-UHFFFAOYSA-N -1 1 324.308 0.502 20 0 DCADMM Cc1noc(C)c1C(=O)Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001592266246 1167480843 /nfs/dbraw/zinc/48/08/43/1167480843.db2.gz SDZYVJDQZOPNKI-UHFFFAOYSA-N -1 1 314.305 0.825 20 0 DCADMM Cc1ccn2ncc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)c2c1 ZINC001592271236 1167481009 /nfs/dbraw/zinc/48/10/09/1167481009.db2.gz WCPXMVPXNTZIKT-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1ccn2ncc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)c2c1 ZINC001592271236 1167481010 /nfs/dbraw/zinc/48/10/10/1167481010.db2.gz WCPXMVPXNTZIKT-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1ccsc1CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592283388 1167484149 /nfs/dbraw/zinc/48/41/49/1167484149.db2.gz BKWLAHSJJUNRFE-MRVPVSSYSA-N -1 1 318.366 0.706 20 0 DCADMM Cc1cnccc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592299643 1167484529 /nfs/dbraw/zinc/48/45/29/1167484529.db2.gz ZSTVGCJXOLGFBK-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1cnccc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592299643 1167484532 /nfs/dbraw/zinc/48/45/32/1167484532.db2.gz ZSTVGCJXOLGFBK-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1csc(=O)n1CCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592312665 1167486976 /nfs/dbraw/zinc/48/69/76/1167486976.db2.gz SOIRJBGCHMACFR-UHFFFAOYSA-N -1 1 320.338 0.150 20 0 DCADMM Cc1csc(=O)n1CCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592312665 1167486980 /nfs/dbraw/zinc/48/69/80/1167486980.db2.gz SOIRJBGCHMACFR-UHFFFAOYSA-N -1 1 320.338 0.150 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC001592327226 1167489122 /nfs/dbraw/zinc/48/91/22/1167489122.db2.gz GTRXVUAVTWSYAM-SSDOTTSWSA-N -1 1 320.357 0.388 20 0 DCADMM Cc1[nH]nc(NCc2csc(-c3nn[n-]n3)c2)c1C(N)=O ZINC001592330434 1167492044 /nfs/dbraw/zinc/49/20/44/1167492044.db2.gz HFCHTFYLXJBCJY-UHFFFAOYSA-N -1 1 304.339 0.671 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]([C@@H]3CCCO3)C2)n1 ZINC001592337351 1167493975 /nfs/dbraw/zinc/49/39/75/1167493975.db2.gz HOMNBRKCRFBFHQ-JQWIXIFHSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]([C@@H]3CCCO3)C2)n1 ZINC001592337351 1167493981 /nfs/dbraw/zinc/49/39/81/1167493981.db2.gz HOMNBRKCRFBFHQ-JQWIXIFHSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1 ZINC001592341383 1167496297 /nfs/dbraw/zinc/49/62/97/1167496297.db2.gz RXTYPZWSOZHJIK-RYUDHWBXSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1 ZINC001592341383 1167496300 /nfs/dbraw/zinc/49/63/00/1167496300.db2.gz RXTYPZWSOZHJIK-RYUDHWBXSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(N[C@@H](C)[C@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592378191 1167509964 /nfs/dbraw/zinc/50/99/64/1167509964.db2.gz FKPRKTWEWMJPCR-NVNXEXLPSA-N -1 1 303.248 0.689 20 0 DCADMM Cc1nc(N[C@@H](C)[C@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592378191 1167509967 /nfs/dbraw/zinc/50/99/67/1167509967.db2.gz FKPRKTWEWMJPCR-NVNXEXLPSA-N -1 1 303.248 0.689 20 0 DCADMM Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592399040 1167512894 /nfs/dbraw/zinc/51/28/94/1167512894.db2.gz ZORPOQDNNBBDHZ-UHFFFAOYSA-N -1 1 319.306 0.690 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cn3nccc3nc2C)c1-c1nn[n-]n1 ZINC001592405288 1167514806 /nfs/dbraw/zinc/51/48/06/1167514806.db2.gz PKJZYCLGEOXYJD-UHFFFAOYSA-N -1 1 324.308 0.502 20 0 DCADMM Cc1nn(C)c(NC(=O)Cc2cnn(C)c2C)c1-c1nnn[n-]1 ZINC001592433502 1167520500 /nfs/dbraw/zinc/52/05/00/1167520500.db2.gz BSJGTGURFNBYJO-UHFFFAOYSA-N -1 1 315.341 0.132 20 0 DCADMM Cc1nn(C)c(NC(=O)Cc2cnn(C)c2C)c1-c1nn[n-]n1 ZINC001592433502 1167520504 /nfs/dbraw/zinc/52/05/04/1167520504.db2.gz BSJGTGURFNBYJO-UHFFFAOYSA-N -1 1 315.341 0.132 20 0 DCADMM Cc1ncsc1COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592426021 1167520646 /nfs/dbraw/zinc/52/06/46/1167520646.db2.gz OEXRWJBWSSSMSR-SSDOTTSWSA-N -1 1 320.338 0.528 20 0 DCADMM Cc1nn2c(CNc3n[nH]cc3-c3nn[n-]n3)c(C)nc2s1 ZINC001592438382 1167522448 /nfs/dbraw/zinc/52/24/48/1167522448.db2.gz WLRZHPRXAAKDGL-UHFFFAOYSA-N -1 1 316.354 0.923 20 0 DCADMM Cc1nn(CCc2ccns2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437069 1167522485 /nfs/dbraw/zinc/52/24/85/1167522485.db2.gz KASDJVARRDCZBR-UHFFFAOYSA-N -1 1 303.351 0.739 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC001592441019 1167524079 /nfs/dbraw/zinc/52/40/79/1167524079.db2.gz LIYCTMQDKQPWNL-LURJTMIESA-N -1 1 316.350 0.913 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC001592441019 1167524085 /nfs/dbraw/zinc/52/40/85/1167524085.db2.gz LIYCTMQDKQPWNL-LURJTMIESA-N -1 1 316.350 0.913 20 0 DCADMM Cc1nnc(CNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)o1 ZINC001592444656 1167526957 /nfs/dbraw/zinc/52/69/57/1167526957.db2.gz YIDNALYLMRWLFG-UHFFFAOYSA-N -1 1 324.304 0.969 20 0 DCADMM Cc1noc([C@@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592457058 1167529361 /nfs/dbraw/zinc/52/93/61/1167529361.db2.gz SBWQKDJKVAWTDO-SSDOTTSWSA-N -1 1 315.293 0.800 20 0 DCADMM Cc1noc([C@@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592457058 1167529367 /nfs/dbraw/zinc/52/93/67/1167529367.db2.gz SBWQKDJKVAWTDO-SSDOTTSWSA-N -1 1 315.293 0.800 20 0 DCADMM Cc1noc(CNC(=O)Nc2snc(C)c2-c2nnn[n-]2)n1 ZINC001592461892 1167532321 /nfs/dbraw/zinc/53/23/21/1167532321.db2.gz JIWZNTMRJCETRA-UHFFFAOYSA-N -1 1 321.326 0.645 20 0 DCADMM Cc1noc(CNC(=O)Nc2snc(C)c2-c2nn[n-]n2)n1 ZINC001592461892 1167532327 /nfs/dbraw/zinc/53/23/27/1167532327.db2.gz JIWZNTMRJCETRA-UHFFFAOYSA-N -1 1 321.326 0.645 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@@H](CO)[C@H]2C)c1-c1nnn[n-]1 ZINC001592479946 1167534371 /nfs/dbraw/zinc/53/43/71/1167534371.db2.gz RNPJBYLXXFCZSI-SFYZADRCSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@@H](CO)[C@H]2C)c1-c1nn[n-]n1 ZINC001592479946 1167534378 /nfs/dbraw/zinc/53/43/78/1167534378.db2.gz RNPJBYLXXFCZSI-SFYZADRCSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)c1nncn1C ZINC001592500528 1167541731 /nfs/dbraw/zinc/54/17/31/1167541731.db2.gz DJLCLCDDOFCFNX-ZETCQYMHSA-N -1 1 303.282 0.815 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)c1nncn1C ZINC001592500528 1167541736 /nfs/dbraw/zinc/54/17/36/1167541736.db2.gz DJLCLCDDOFCFNX-ZETCQYMHSA-N -1 1 303.282 0.815 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC1CCN(C=O)CC1 ZINC001592500431 1167541918 /nfs/dbraw/zinc/54/19/18/1167541918.db2.gz BIXCDDKEOLFSQB-UHFFFAOYSA-N -1 1 305.294 0.546 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC1CCN(C=O)CC1 ZINC001592500431 1167541921 /nfs/dbraw/zinc/54/19/21/1167541921.db2.gz BIXCDDKEOLFSQB-UHFFFAOYSA-N -1 1 305.294 0.546 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NC1CCCC1 ZINC001592500494 1167542369 /nfs/dbraw/zinc/54/23/69/1167542369.db2.gz CNAANNNOYKUEDO-UHFFFAOYSA-N -1 1 319.321 0.984 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NC1CCCC1 ZINC001592500494 1167542377 /nfs/dbraw/zinc/54/23/77/1167542377.db2.gz CNAANNNOYKUEDO-UHFFFAOYSA-N -1 1 319.321 0.984 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H]3COC[C@]3(C)C2)c1-c1nnn[n-]1 ZINC001592515385 1167543683 /nfs/dbraw/zinc/54/36/83/1167543683.db2.gz DVPPGQKNEZJCDA-XPTSAGLGSA-N -1 1 318.337 0.201 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H]3COC[C@]3(C)C2)c1-c1nn[n-]n1 ZINC001592515385 1167543687 /nfs/dbraw/zinc/54/36/87/1167543687.db2.gz DVPPGQKNEZJCDA-XPTSAGLGSA-N -1 1 318.337 0.201 20 0 DCADMM Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H]2CO)c(-c2nn[n-]n2)c1C ZINC001592509700 1167545253 /nfs/dbraw/zinc/54/52/53/1167545253.db2.gz WCZMSBCLPMJMTP-PSASIEDQSA-N -1 1 320.353 0.470 20 0 DCADMM Cc1onc(CC(=O)N2CCC3(CCO3)CC2)c1-c1nnn[n-]1 ZINC001592516116 1167547648 /nfs/dbraw/zinc/54/76/48/1167547648.db2.gz SGESJYKGBVWEKH-UHFFFAOYSA-N -1 1 318.337 0.487 20 0 DCADMM Cc1onc(CC(=O)N2CCC3(CCO3)CC2)c1-c1nn[n-]n1 ZINC001592516116 1167547658 /nfs/dbraw/zinc/54/76/58/1167547658.db2.gz SGESJYKGBVWEKH-UHFFFAOYSA-N -1 1 318.337 0.487 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCC(C)(C)O2)c1-c1nnn[n-]1 ZINC001592516972 1167548308 /nfs/dbraw/zinc/54/83/08/1167548308.db2.gz CZOSZEFIDFYGRB-SECBINFHSA-N -1 1 320.353 0.779 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCC(C)(C)O2)c1-c1nn[n-]n1 ZINC001592516972 1167548316 /nfs/dbraw/zinc/54/83/16/1167548316.db2.gz CZOSZEFIDFYGRB-SECBINFHSA-N -1 1 320.353 0.779 20 0 DCADMM Cc1scc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1C ZINC001592521890 1167549007 /nfs/dbraw/zinc/54/90/07/1167549007.db2.gz XVWOUAQRTGOJHK-UHFFFAOYSA-N -1 1 318.366 0.453 20 0 DCADMM Cn1c(=O)[nH]c(NCCC2(F)CCC2)c(-c2nn[n-]n2)c1=O ZINC001592546151 1167549592 /nfs/dbraw/zinc/54/95/92/1167549592.db2.gz KRYVLEDVJWLXLU-UHFFFAOYSA-N -1 1 309.305 0.360 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@@]2(C)CC2(F)F)c(-c2nn[n-]n2)c1=O ZINC001592545617 1167551459 /nfs/dbraw/zinc/55/14/59/1167551459.db2.gz HADVLPLHNSFOPR-SNVBAGLBSA-N -1 1 313.268 0.123 20 0 DCADMM Cn1c2cc(Cn3cc(-c4nn[n-]n4)ccc3=O)ccc2oc1=O ZINC001592546227 1167552609 /nfs/dbraw/zinc/55/26/09/1167552609.db2.gz MJBNAYJDSBSJDJ-UHFFFAOYSA-N -1 1 324.300 0.522 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2C[C@H]2C2CCC2)n1 ZINC001592560697 1167560542 /nfs/dbraw/zinc/56/05/42/1167560542.db2.gz PHQLBYJRGFLWDB-WCBMZHEXSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2C[C@H]2C2CCC2)n1 ZINC001592560697 1167560549 /nfs/dbraw/zinc/56/05/49/1167560549.db2.gz PHQLBYJRGFLWDB-WCBMZHEXSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3c(c2)COC3)n1 ZINC001592560136 1167561907 /nfs/dbraw/zinc/56/19/07/1167561907.db2.gz NDSCVPHTMGCSEA-UHFFFAOYSA-N -1 1 311.305 0.883 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3c(c2)COC3)n1 ZINC001592560136 1167561912 /nfs/dbraw/zinc/56/19/12/1167561912.db2.gz NDSCVPHTMGCSEA-UHFFFAOYSA-N -1 1 311.305 0.883 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2c3c(nn2C)CCC3)n1 ZINC001592561151 1167562631 /nfs/dbraw/zinc/56/26/31/1167562631.db2.gz YHFPEUWACHAFIX-UHFFFAOYSA-N -1 1 313.325 0.075 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2c3c(nn2C)CCC3)n1 ZINC001592561151 1167562637 /nfs/dbraw/zinc/56/26/37/1167562637.db2.gz YHFPEUWACHAFIX-UHFFFAOYSA-N -1 1 313.325 0.075 20 0 DCADMM Cn1cc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001592572721 1167565173 /nfs/dbraw/zinc/56/51/73/1167565173.db2.gz ZQAJZDKTRUIXLF-UHFFFAOYSA-N -1 1 319.354 0.056 20 0 DCADMM Cn1ccnc1CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592585536 1167569988 /nfs/dbraw/zinc/56/99/88/1167569988.db2.gz CLKNUNCCJHVQAE-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1ccnc1CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001592585536 1167569991 /nfs/dbraw/zinc/56/99/91/1167569991.db2.gz CLKNUNCCJHVQAE-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1ncc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1Cl ZINC001592600866 1167578779 /nfs/dbraw/zinc/57/87/79/1167578779.db2.gz FLWJFUGFAKVMAL-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1ncc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1Cl ZINC001592600866 1167578782 /nfs/dbraw/zinc/57/87/82/1167578782.db2.gz FLWJFUGFAKVMAL-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1ncc(CNCc2nc(-c3nnn[n-]3)cs2)c1Cl ZINC001592601497 1167578856 /nfs/dbraw/zinc/57/88/56/1167578856.db2.gz ORLNOMNKTAFDST-UHFFFAOYSA-N -1 1 310.774 1.000 20 0 DCADMM Cn1ncc(CNCc2nc(-c3nn[n-]n3)cs2)c1Cl ZINC001592601497 1167578861 /nfs/dbraw/zinc/57/88/61/1167578861.db2.gz ORLNOMNKTAFDST-UHFFFAOYSA-N -1 1 310.774 1.000 20 0 DCADMM Cn1ncnc1Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001592608136 1167582185 /nfs/dbraw/zinc/58/21/85/1167582185.db2.gz JEIHDUUWGKOWHQ-UHFFFAOYSA-N -1 1 314.334 0.420 20 0 DCADMM FC1(F)C[C@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCN2C1 ZINC001592630773 1167586728 /nfs/dbraw/zinc/58/67/28/1167586728.db2.gz MLISTKALYUTVIJ-VIFPVBQESA-N -1 1 310.308 0.985 20 0 DCADMM NC(=O)[C@H](F)C1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001592715166 1167608830 /nfs/dbraw/zinc/60/88/30/1167608830.db2.gz IBGSRRDLCKDQKH-LLVKDONJSA-N -1 1 305.317 0.302 20 0 DCADMM NC(=O)[C@H](F)C1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001592715166 1167608835 /nfs/dbraw/zinc/60/88/35/1167608835.db2.gz IBGSRRDLCKDQKH-LLVKDONJSA-N -1 1 305.317 0.302 20 0 DCADMM NC(=O)[C@@H](C1CC1)N(CC1CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001592714874 1167610435 /nfs/dbraw/zinc/61/04/35/1167610435.db2.gz SZSJVPREFPCPMI-GFCCVEGCSA-N -1 1 314.353 0.137 20 0 DCADMM NC(=O)[C@@H](C1CC1)N(CC1CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001592714874 1167610439 /nfs/dbraw/zinc/61/04/39/1167610439.db2.gz SZSJVPREFPCPMI-GFCCVEGCSA-N -1 1 314.353 0.137 20 0 DCADMM NC(=O)Cc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001592729659 1167618514 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O[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001593506884 1167885371 /nfs/dbraw/zinc/88/53/71/1167885371.db2.gz NXCWCGRQUIKGOD-RKDXNWHRSA-N -1 1 310.745 0.867 20 0 DCADMM O[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001593506884 1167885381 /nfs/dbraw/zinc/88/53/81/1167885381.db2.gz NXCWCGRQUIKGOD-RKDXNWHRSA-N -1 1 310.745 0.867 20 0 DCADMM O[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1c[nH]cn1 ZINC001593510010 1167889285 /nfs/dbraw/zinc/88/92/85/1167889285.db2.gz VNSHNZMUMYRZQL-NSHDSACASA-N -1 1 323.320 0.679 20 0 DCADMM OC[C@H]([C@@H](Nc1ncncc1-c1nn[n-]n1)C1CC1)C1CC1 ZINC001593522421 1167897474 /nfs/dbraw/zinc/89/74/74/1167897474.db2.gz RFNPWOWZCOERSS-RYUDHWBXSA-N -1 1 301.354 0.866 20 0 DCADMM OC[C@@]1(F)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001593525387 1167901367 /nfs/dbraw/zinc/90/13/67/1167901367.db2.gz LLBVWRIDXHKIAY-SECBINFHSA-N -1 1 304.738 0.887 20 0 DCADMM OC[C@@]1(F)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001593525387 1167901375 /nfs/dbraw/zinc/90/13/75/1167901375.db2.gz 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319.361 0.652 20 0 DCADMM Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2C)c(C(=O)[O-])[nH]1 ZINC001600262789 1168152879 /nfs/dbraw/zinc/15/28/79/1168152879.db2.gz MMQOZQDTXHBFPG-SECBINFHSA-N -1 1 308.338 0.170 20 0 DCADMM Cc1ccc(CNC(=O)[C@H](C)N2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC001600415820 1168179912 /nfs/dbraw/zinc/17/99/12/1168179912.db2.gz MFVDGAKAJQRZNI-BLLLJJGKSA-N -1 1 306.362 0.521 20 0 DCADMM Cc1ccc(CNC(=O)[C@@H](C)N2CCN(CC(=O)[O-])CC2)cc1 ZINC001600416138 1168180547 /nfs/dbraw/zinc/18/05/47/1168180547.db2.gz RVSBIEUVCUCQAH-CQSZACIVSA-N -1 1 319.405 0.702 20 0 DCADMM Cc1ccc(NCCNS(=O)(=O)c2c[n-]c(C(=O)[O-])c2)[nH+]c1 ZINC001600460307 1168188168 /nfs/dbraw/zinc/18/81/68/1168188168.db2.gz SFWWZWWMAUQSFL-UHFFFAOYSA-N -1 1 324.362 0.807 20 0 DCADMM Cc1cccc(CNC(=O)CN2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC001600531742 1168195645 /nfs/dbraw/zinc/19/56/45/1168195645.db2.gz QTKNZLNXRSYWDD-KGLIPLIRSA-N -1 1 306.362 0.379 20 0 DCADMM Cc1cccc(CNC(=O)CN2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001600531743 1168196058 /nfs/dbraw/zinc/19/60/58/1168196058.db2.gz QTKNZLNXRSYWDD-UONOGXRCSA-N -1 1 306.362 0.379 20 0 DCADMM Cc1cccc2c([O-])c(C(=O)NCC[N@@H+](C)CC(=O)[O-])cnc12 ZINC001600553441 1168199088 /nfs/dbraw/zinc/19/90/88/1168199088.db2.gz LZMVZVWUHNCOIX-UHFFFAOYSA-N -1 1 317.345 0.583 20 0 DCADMM Cc1cccc2c([O-])c(C(=O)NCC[N@H+](C)CC(=O)[O-])cnc12 ZINC001600553441 1168199095 /nfs/dbraw/zinc/19/90/95/1168199095.db2.gz LZMVZVWUHNCOIX-UHFFFAOYSA-N -1 1 317.345 0.583 20 0 DCADMM Cc1cnn(C)c1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001600635928 1168221768 /nfs/dbraw/zinc/22/17/68/1168221768.db2.gz VFGXIROTMAMNPZ-NSHDSACASA-N -1 1 309.370 0.741 20 0 DCADMM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H]1CCCCN1CCO ZINC001600643658 1168226942 /nfs/dbraw/zinc/22/69/42/1168226942.db2.gz NECNJRBVWXGOHQ-GFCCVEGCSA-N -1 1 324.377 0.792 20 0 DCADMM Cc1[nH]ncc1CN(C)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001600674121 1168242129 /nfs/dbraw/zinc/24/21/29/1168242129.db2.gz GAJZIGIECQAGQN-UHFFFAOYSA-N -1 1 324.362 0.940 20 0 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ZINC001605346736 1169897852 /nfs/dbraw/zinc/89/78/52/1169897852.db2.gz JXTCGAHAYCCFDF-SECBINFHSA-N -1 1 319.325 0.523 20 0 DCADMM COc1ncc(NC(=O)N[C@H]2COC[C@H]2C)cc1-c1nn[n-]n1 ZINC001605346672 1169899250 /nfs/dbraw/zinc/89/92/50/1169899250.db2.gz GQFZEWGRORQKSO-XCBNKYQSSA-N -1 1 319.325 0.427 20 0 DCADMM COc1ncc(NC(=O)Nc2cc(C)[nH]n2)cc1-c1nn[n-]n1 ZINC001605346100 1169899665 /nfs/dbraw/zinc/89/96/65/1169899665.db2.gz MQFQILCKYCIKCK-UHFFFAOYSA-N -1 1 315.297 0.946 20 0 DCADMM COc1ncc(NC(=O)N2CCC[C@@H](O)C2)cc1-c1nn[n-]n1 ZINC001605346454 1169899895 /nfs/dbraw/zinc/89/98/95/1169899895.db2.gz CHPPXXZKBACXBX-SECBINFHSA-N -1 1 319.325 0.259 20 0 DCADMM COc1ncccc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001605349391 1169901514 /nfs/dbraw/zinc/90/15/14/1169901514.db2.gz HFSAYMIDPVEJCS-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1ncccc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001605349391 1169901517 /nfs/dbraw/zinc/90/15/17/1169901517.db2.gz HFSAYMIDPVEJCS-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM C[S@](=O)[C@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001605362858 1169904648 /nfs/dbraw/zinc/90/46/48/1169904648.db2.gz MBNMYYWVFLKWEB-HORACTTISA-N -1 1 307.383 0.758 20 0 DCADMM C[S@](=O)[C@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001605362858 1169904651 /nfs/dbraw/zinc/90/46/51/1169904651.db2.gz MBNMYYWVFLKWEB-HORACTTISA-N -1 1 307.383 0.758 20 0 DCADMM CS(=O)(=O)c1cccc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC001605361007 1169904747 /nfs/dbraw/zinc/90/47/47/1169904747.db2.gz HPBKGOIAGLTMQO-UHFFFAOYSA-N -1 1 304.335 0.515 20 0 DCADMM CS(=O)(=O)c1cccc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC001605361007 1169904749 /nfs/dbraw/zinc/90/47/49/1169904749.db2.gz HPBKGOIAGLTMQO-UHFFFAOYSA-N -1 1 304.335 0.515 20 0 DCADMM CS[C@@H](C)CC(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001605368047 1169906792 /nfs/dbraw/zinc/90/67/92/1169906792.db2.gz WUOXUBMXNKZJIJ-QMMMGPOBSA-N -1 1 322.398 0.326 20 0 DCADMM CS[C@@H](C)CC(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001605368047 1169906798 /nfs/dbraw/zinc/90/67/98/1169906798.db2.gz WUOXUBMXNKZJIJ-QMMMGPOBSA-N -1 1 322.398 0.326 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C=C1CCC1 ZINC001605437563 1169920038 /nfs/dbraw/zinc/92/00/38/1169920038.db2.gz HQEZRDKZSDRWJL-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C=C1CCC1 ZINC001605437563 1169920040 /nfs/dbraw/zinc/92/00/40/1169920040.db2.gz HQEZRDKZSDRWJL-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CCC(=O)C[C@H]2C)nn1C ZINC001605465130 1169929782 /nfs/dbraw/zinc/92/97/82/1169929782.db2.gz QDCZFDVUXYSIKK-XCBNKYQSSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC(=O)C[C@H]2C)nn1C ZINC001605465130 1169929787 /nfs/dbraw/zinc/92/97/87/1169929787.db2.gz QDCZFDVUXYSIKK-XCBNKYQSSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1c(CC(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)cnn1C ZINC001605485598 1169936526 /nfs/dbraw/zinc/93/65/26/1169936526.db2.gz BBQCNASUMMXASL-UHFFFAOYSA-N -1 1 315.341 0.132 20 0 DCADMM Cc1c(CC(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)cnn1C ZINC001605485598 1169936531 /nfs/dbraw/zinc/93/65/31/1169936531.db2.gz BBQCNASUMMXASL-UHFFFAOYSA-N -1 1 315.341 0.132 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)CC1(C)COC1 ZINC001605504957 1169942252 /nfs/dbraw/zinc/94/22/52/1169942252.db2.gz PHMQWDDEVHBTMI-UHFFFAOYSA-N -1 1 318.337 0.384 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H](O)C1CCC1 ZINC001605510676 1169942828 /nfs/dbraw/zinc/94/28/28/1169942828.db2.gz VYUSBEMVLONFOV-SNVBAGLBSA-N -1 1 318.337 0.167 20 0 DCADMM CCOC(=O)C1CCN(C(=O)CN[C@](C)(CC)C(=O)[O-])CC1 ZINC001605527522 1169947688 /nfs/dbraw/zinc/94/76/88/1169947688.db2.gz ZBJQTXMAZABBKL-OAHLLOKOSA-N -1 1 314.382 0.631 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC001605562707 1169960490 /nfs/dbraw/zinc/96/04/90/1169960490.db2.gz MHMOCUWUAZNHFF-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC001605562707 1169960496 /nfs/dbraw/zinc/96/04/96/1169960496.db2.gz MHMOCUWUAZNHFF-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(CNC(=O)O3)CC2)c1 ZINC001605559655 1169960568 /nfs/dbraw/zinc/96/05/68/1169960568.db2.gz FDRLTOVXKQKOEO-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(CNC(=O)O3)CC2)c1 ZINC001605559655 1169960570 /nfs/dbraw/zinc/96/05/70/1169960570.db2.gz FDRLTOVXKQKOEO-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC001605562706 1169960922 /nfs/dbraw/zinc/96/09/22/1169960922.db2.gz MHMOCUWUAZNHFF-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC001605562706 1169960928 /nfs/dbraw/zinc/96/09/28/1169960928.db2.gz MHMOCUWUAZNHFF-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@@H]2C2CCC2)n1 ZINC001605564073 1169961004 /nfs/dbraw/zinc/96/10/04/1169961004.db2.gz LYTYJCTZICYUNZ-GFCCVEGCSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@@H]2C2CCC2)n1 ZINC001605564073 1169961010 /nfs/dbraw/zinc/96/10/10/1169961010.db2.gz LYTYJCTZICYUNZ-GFCCVEGCSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC(=O)N(CC3CC3)C2)n1 ZINC001605569107 1169962041 /nfs/dbraw/zinc/96/20/41/1169962041.db2.gz FRTULGVHXWPUQL-JTQLQIEISA-N -1 1 314.353 0.388 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC(=O)N(CC3CC3)C2)n1 ZINC001605569107 1169962043 /nfs/dbraw/zinc/96/20/43/1169962043.db2.gz FRTULGVHXWPUQL-JTQLQIEISA-N -1 1 314.353 0.388 20 0 DCADMM Cc1cc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)n(C)n1 ZINC001605625400 1169976521 /nfs/dbraw/zinc/97/65/21/1169976521.db2.gz ZGWBKFNOTZPHKU-UHFFFAOYSA-N -1 1 313.325 0.761 20 0 DCADMM Cc1cc(N[C@@H](CO)c2cnn(C)c2)nc(-c2nnn[n-]2)c1 ZINC001605720710 1169992489 /nfs/dbraw/zinc/99/24/89/1169992489.db2.gz LOEQKVBWALKEBV-NSHDSACASA-N -1 1 300.326 0.449 20 0 DCADMM Cc1cc(N[C@@H](CO)c2cnn(C)c2)nc(-c2nn[n-]n2)c1 ZINC001605720710 1169992495 /nfs/dbraw/zinc/99/24/95/1169992495.db2.gz LOEQKVBWALKEBV-NSHDSACASA-N -1 1 300.326 0.449 20 0 DCADMM CCc1nnc(C)cc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001605868507 1170018402 /nfs/dbraw/zinc/01/84/02/1170018402.db2.gz SNFBSQYFSZREPN-GFCCVEGCSA-N -1 1 320.393 0.968 20 0 DCADMM Cc1ccc(N[C@H]2CS(=O)(=O)C[C@H]2C)nc1-c1nnn[n-]1 ZINC001605875465 1170020232 /nfs/dbraw/zinc/02/02/32/1170020232.db2.gz NXQDHRUXNRMHNP-BDAKNGLRSA-N -1 1 308.367 0.415 20 0 DCADMM Cc1ccc(N[C@H]2CS(=O)(=O)C[C@H]2C)nc1-c1nn[n-]n1 ZINC001605875465 1170020238 /nfs/dbraw/zinc/02/02/38/1170020238.db2.gz NXQDHRUXNRMHNP-BDAKNGLRSA-N -1 1 308.367 0.415 20 0 DCADMM CCn1cc(CNCc2cc(C(=O)[O-])c(C)[nH]2)c(=O)[nH]c1=O ZINC001605922116 1170027428 /nfs/dbraw/zinc/02/74/28/1170027428.db2.gz JLHOMRZPIMLERS-UHFFFAOYSA-N -1 1 306.322 0.593 20 0 DCADMM Cc1ccnc([C@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001605953748 1170033801 /nfs/dbraw/zinc/03/38/01/1170033801.db2.gz ISENDOIQOPDERL-VIFPVBQESA-N -1 1 310.321 0.851 20 0 DCADMM Cc1ccnc([C@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001605953748 1170033806 /nfs/dbraw/zinc/03/38/06/1170033806.db2.gz ISENDOIQOPDERL-VIFPVBQESA-N -1 1 310.321 0.851 20 0 DCADMM Cc1ccn(CN2CCOC[C@H](C)C2)c(=O)c1-c1nn[n-]n1 ZINC001605953069 1170035369 /nfs/dbraw/zinc/03/53/69/1170035369.db2.gz XEVWKGONZOLHFY-SNVBAGLBSA-N -1 1 304.354 0.263 20 0 DCADMM Cc1nc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC001606034973 1170060743 /nfs/dbraw/zinc/06/07/43/1170060743.db2.gz LNZIYZREHCDSOA-ZCFIWIBFSA-N -1 1 300.282 0.444 20 0 DCADMM Cc1nc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC001606034973 1170060746 /nfs/dbraw/zinc/06/07/46/1170060746.db2.gz LNZIYZREHCDSOA-ZCFIWIBFSA-N -1 1 300.282 0.444 20 0 DCADMM Cc1nc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)oc1C ZINC001606044894 1170064719 /nfs/dbraw/zinc/06/47/19/1170064719.db2.gz RVELHVHKOXORHP-UHFFFAOYSA-N -1 1 301.310 0.693 20 0 DCADMM Cc1nc(N[C@@H](C)CO[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001606061144 1170068335 /nfs/dbraw/zinc/06/83/35/1170068335.db2.gz SSBPFKQXLWTBFP-WCBMZHEXSA-N -1 1 305.342 0.571 20 0 DCADMM Cc1nc(N[C@@H](C)CO[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001606061144 1170068340 /nfs/dbraw/zinc/06/83/40/1170068340.db2.gz SSBPFKQXLWTBFP-WCBMZHEXSA-N -1 1 305.342 0.571 20 0 DCADMM Cc1nc(NC[C@@H]2CCCCS2(=O)=O)cc(-c2nnn[n-]2)n1 ZINC001606069526 1170069590 /nfs/dbraw/zinc/06/95/90/1170069590.db2.gz KWPSIFNOBSYNIZ-VIFPVBQESA-N -1 1 323.382 0.344 20 0 DCADMM Cc1nc(NC[C@@H]2CCCCS2(=O)=O)cc(-c2nn[n-]n2)n1 ZINC001606069526 1170069594 /nfs/dbraw/zinc/06/95/94/1170069594.db2.gz KWPSIFNOBSYNIZ-VIFPVBQESA-N -1 1 323.382 0.344 20 0 DCADMM CN(CC(=O)Nc1cccc(C(=O)[O-])n1)CC1(O)CCOCC1 ZINC001606085110 1170072952 /nfs/dbraw/zinc/07/29/52/1170072952.db2.gz IESSNQGGLCJDBW-UHFFFAOYSA-N -1 1 323.349 0.192 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001606106591 1170078091 /nfs/dbraw/zinc/07/80/91/1170078091.db2.gz BDJMCDGRRLSBGO-VIFPVBQESA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001606106591 1170078101 /nfs/dbraw/zinc/07/81/01/1170078101.db2.gz BDJMCDGRRLSBGO-VIFPVBQESA-N -1 1 315.341 0.153 20 0 DCADMM Cc1noc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001606127951 1170087081 /nfs/dbraw/zinc/08/70/81/1170087081.db2.gz KINDNBRSRVTFLI-ZCFIWIBFSA-N -1 1 300.282 0.444 20 0 DCADMM Cc1noc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001606127951 1170087085 /nfs/dbraw/zinc/08/70/85/1170087085.db2.gz KINDNBRSRVTFLI-ZCFIWIBFSA-N -1 1 300.282 0.444 20 0 DCADMM Cc1noc([C@H]2CCCN(c3ncncc3-c3nn[n-]n3)C2)n1 ZINC001606132449 1170090081 /nfs/dbraw/zinc/09/00/81/1170090081.db2.gz RKIRKTRIDYEHHH-VIFPVBQESA-N -1 1 313.325 0.732 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)c2ccnn2C)c1-c1nnn[n-]1 ZINC001606180052 1170104843 /nfs/dbraw/zinc/10/48/43/1170104843.db2.gz XGDXWOLMHSELMW-ZETCQYMHSA-N -1 1 316.325 0.317 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)c2ccnn2C)c1-c1nn[n-]n1 ZINC001606180052 1170104846 /nfs/dbraw/zinc/10/48/46/1170104846.db2.gz XGDXWOLMHSELMW-ZETCQYMHSA-N -1 1 316.325 0.317 20 0 DCADMM CN1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC001606208784 1170114078 /nfs/dbraw/zinc/11/40/78/1170114078.db2.gz LMDOYPXUQVEWEJ-IUCAKERBSA-N -1 1 316.404 0.771 20 0 DCADMM Cn1c(CO)nnc1SCc1nc(-c2nnn[n-]2)cs1 ZINC001606217403 1170119093 /nfs/dbraw/zinc/11/90/93/1170119093.db2.gz GUDIIDFCWIXMAY-UHFFFAOYSA-N -1 1 310.368 0.236 20 0 DCADMM Cn1c(CO)nnc1SCc1nc(-c2nn[n-]n2)cs1 ZINC001606217403 1170119098 /nfs/dbraw/zinc/11/90/98/1170119098.db2.gz GUDIIDFCWIXMAY-UHFFFAOYSA-N -1 1 310.368 0.236 20 0 DCADMM CN1CCC(O)(CNS(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC001606219563 1170119751 /nfs/dbraw/zinc/11/97/51/1170119751.db2.gz NVQULPDYYRKRHD-UHFFFAOYSA-N -1 1 322.427 0.008 20 0 DCADMM CN1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606225074 1170122837 /nfs/dbraw/zinc/12/28/37/1170122837.db2.gz WOSCTFIBLQNRJR-YPMHNXCESA-N -1 1 321.381 0.624 20 0 DCADMM C[N@H+]1CCN(C(=O)c2cc(F)cc3nc[nH]c32)C[C@H](C(=O)[O-])C1 ZINC001606236254 1170129991 /nfs/dbraw/zinc/12/99/91/1170129991.db2.gz VFSYBKAJBZAWFC-SECBINFHSA-N -1 1 320.324 0.790 20 0 DCADMM CN1CCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)[C@H](CO)C1 ZINC001606242692 1170134518 /nfs/dbraw/zinc/13/45/18/1170134518.db2.gz QJGQUYOVTYMMRE-QZDDGCDVSA-N -1 1 320.389 0.772 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2C)C[C@@H]1C(=O)[O-] ZINC001606414968 1170191456 /nfs/dbraw/zinc/19/14/56/1170191456.db2.gz APFPTMATQHYVIL-XQQFMLRXSA-N -1 1 320.345 0.327 20 0 DCADMM NC(=O)c1c[nH]c(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)c1 ZINC001606425850 1170196448 /nfs/dbraw/zinc/19/64/48/1170196448.db2.gz GMZIHVFQPYWAEW-UHFFFAOYSA-N -1 1 323.276 0.406 20 0 DCADMM NC(=O)c1c[nH]c(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)c1 ZINC001606425850 1170196454 /nfs/dbraw/zinc/19/64/54/1170196454.db2.gz GMZIHVFQPYWAEW-UHFFFAOYSA-N -1 1 323.276 0.406 20 0 DCADMM NC(=O)c1ccc(Oc2cc(-c3nnn[n-]3)ncn2)c(F)c1 ZINC001606430074 1170198502 /nfs/dbraw/zinc/19/85/02/1170198502.db2.gz OGHGQMNEAZMVSW-UHFFFAOYSA-N -1 1 301.241 0.687 20 0 DCADMM NC(=O)c1ccc(Oc2cc(-c3nn[n-]n3)ncn2)c(F)c1 ZINC001606430074 1170198506 /nfs/dbraw/zinc/19/85/06/1170198506.db2.gz OGHGQMNEAZMVSW-UHFFFAOYSA-N -1 1 301.241 0.687 20 0 DCADMM Nc1ccnc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001606452257 1170209911 /nfs/dbraw/zinc/20/99/11/1170209911.db2.gz KAUVACGJSGPSAH-UHFFFAOYSA-N -1 1 314.284 0.308 20 0 DCADMM Nc1ccnc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001606452257 1170209916 /nfs/dbraw/zinc/20/99/16/1170209916.db2.gz KAUVACGJSGPSAH-UHFFFAOYSA-N -1 1 314.284 0.308 20 0 DCADMM O=C([C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)N1CCCC1 ZINC001606475171 1170217811 /nfs/dbraw/zinc/21/78/11/1170217811.db2.gz LOGKJYKGMZNZJV-JTQLQIEISA-N -1 1 314.353 0.105 20 0 DCADMM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001606506003 1170223261 /nfs/dbraw/zinc/22/32/61/1170223261.db2.gz XWMINSIOYNDOGD-GARJFASQSA-N -1 1 300.355 0.382 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nnn[n-]2)n1)NCC1CCC1 ZINC001606564711 1170235006 /nfs/dbraw/zinc/23/50/06/1170235006.db2.gz WDKWLCQWQVSZSR-UHFFFAOYSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nn[n-]n2)n1)NCC1CCC1 ZINC001606564711 1170235008 /nfs/dbraw/zinc/23/50/08/1170235008.db2.gz WDKWLCQWQVSZSR-UHFFFAOYSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(COc1ccc(F)nc1-c1nn[n-]n1)NC[C@H]1CCCO1 ZINC001606571902 1170236266 /nfs/dbraw/zinc/23/62/66/1170236266.db2.gz GPRMECOCDMWVBL-MRVPVSSYSA-N -1 1 322.300 0.075 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCC[C@@H]1CCO ZINC001606595554 1170239986 /nfs/dbraw/zinc/23/99/86/1170239986.db2.gz ZCJRADRXYVWEPX-VXGBXAGGSA-N -1 1 316.365 0.472 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCC[C@@H]1CCO ZINC001606595554 1170239990 /nfs/dbraw/zinc/23/99/90/1170239990.db2.gz ZCJRADRXYVWEPX-VXGBXAGGSA-N -1 1 316.365 0.472 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CCC[C@H]1CCO ZINC001606595553 1170240067 /nfs/dbraw/zinc/24/00/67/1170240067.db2.gz ZCJRADRXYVWEPX-RYUDHWBXSA-N -1 1 316.365 0.472 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCC[C@H]1CCO ZINC001606595553 1170240075 /nfs/dbraw/zinc/24/00/75/1170240075.db2.gz ZCJRADRXYVWEPX-RYUDHWBXSA-N -1 1 316.365 0.472 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCCCC[C@H]1CO ZINC001606595158 1170240412 /nfs/dbraw/zinc/24/04/12/1170240412.db2.gz SBCUDYXKLSQLAR-LBPRGKRZSA-N -1 1 316.365 0.568 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCCCC[C@H]1CO ZINC001606595158 1170240413 /nfs/dbraw/zinc/24/04/13/1170240413.db2.gz SBCUDYXKLSQLAR-LBPRGKRZSA-N -1 1 316.365 0.568 20 0 DCADMM COC(=O)c1oc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1C ZINC001606637150 1170251296 /nfs/dbraw/zinc/25/12/96/1170251296.db2.gz XFOKOUFYGNQRFK-VIFPVBQESA-N -1 1 321.289 0.523 20 0 DCADMM O=C(N[C@H]1COC2(CCC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606689391 1170262011 /nfs/dbraw/zinc/26/20/11/1170262011.db2.gz SNNBYMGPABITIB-SNVBAGLBSA-N -1 1 300.322 0.703 20 0 DCADMM O=C(N[C@H]1COC2(CCC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606689391 1170262017 /nfs/dbraw/zinc/26/20/17/1170262017.db2.gz SNNBYMGPABITIB-SNVBAGLBSA-N -1 1 300.322 0.703 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(-c2nnn[n-]2)o1 ZINC001606696968 1170265720 /nfs/dbraw/zinc/26/57/20/1170265720.db2.gz YCLIAVPSRVYJJI-ZWNOBZJWSA-N -1 1 311.301 0.848 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(-c2nn[n-]n2)o1 ZINC001606696968 1170265723 /nfs/dbraw/zinc/26/57/23/1170265723.db2.gz YCLIAVPSRVYJJI-ZWNOBZJWSA-N -1 1 311.301 0.848 20 0 DCADMM CO[C@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(CCC(C)C)C2=O)C1 ZINC001606702434 1170267928 /nfs/dbraw/zinc/26/79/28/1170267928.db2.gz AQPAPWHQXFRLAA-IAQYHMDHSA-N -1 1 312.366 0.336 20 0 DCADMM CO[C@@]1(C(=O)[O-])CCN(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001606704087 1170267964 /nfs/dbraw/zinc/26/79/64/1170267964.db2.gz UMKCHIOOTADWDQ-AWEZNQCLSA-N -1 1 300.355 0.781 20 0 DCADMM CO[C@H]1CCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606743175 1170276987 /nfs/dbraw/zinc/27/69/87/1170276987.db2.gz XAVMGVYLUGBHQP-APPZFPTMSA-N -1 1 304.324 0.466 20 0 DCADMM O=C(NCC[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606763454 1170281747 /nfs/dbraw/zinc/28/17/47/1170281747.db2.gz RBMZNYAANUBSCG-SNVBAGLBSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCC[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606763454 1170281748 /nfs/dbraw/zinc/28/17/48/1170281748.db2.gz RBMZNYAANUBSCG-SNVBAGLBSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCCNc1cnc(-c2nnn[n-]2)cn1)c1ccc[nH]1 ZINC001606768503 1170283180 /nfs/dbraw/zinc/28/31/80/1170283180.db2.gz CQIQXLSJSSRIHA-UHFFFAOYSA-N -1 1 313.325 0.217 20 0 DCADMM O=C(NCCCNc1cnc(-c2nn[n-]n2)cn1)c1ccc[nH]1 ZINC001606768503 1170283183 /nfs/dbraw/zinc/28/31/83/1170283183.db2.gz CQIQXLSJSSRIHA-UHFFFAOYSA-N -1 1 313.325 0.217 20 0 DCADMM O=C(NCCOCCCO)c1cccc(F)c1-c1nnn[n-]1 ZINC001606789454 1170288954 /nfs/dbraw/zinc/28/89/54/1170288954.db2.gz SXXUDMFICVXBTQ-UHFFFAOYSA-N -1 1 309.301 0.135 20 0 DCADMM O=C(NCCOCCCO)c1cccc(F)c1-c1nn[n-]n1 ZINC001606789454 1170288960 /nfs/dbraw/zinc/28/89/60/1170288960.db2.gz SXXUDMFICVXBTQ-UHFFFAOYSA-N -1 1 309.301 0.135 20 0 DCADMM COC[C@@H](C)CC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001606793386 1170291909 /nfs/dbraw/zinc/29/19/09/1170291909.db2.gz NAIHOYZGQRUFBJ-WFASDCNBSA-N -1 1 314.382 0.047 20 0 DCADMM O=C(NCCc1cnc(=O)[nH]c1)c1csc(-c2nn[n-]n2)c1 ZINC001606796591 1170293322 /nfs/dbraw/zinc/29/33/22/1170293322.db2.gz VFGPETQAPFUAOG-UHFFFAOYSA-N -1 1 317.334 0.396 20 0 DCADMM COC[C@H](C)OC[C@H](O)CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001606798726 1170293382 /nfs/dbraw/zinc/29/33/82/1170293382.db2.gz SJWQMYYPBPNGGH-IVZWLZJFSA-N -1 1 318.395 0.904 20 0 DCADMM COC[C@]1(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CNCCO1 ZINC001606821395 1170301567 /nfs/dbraw/zinc/30/15/67/1170301567.db2.gz CVMQLTQAIGNTHL-INIZCTEOSA-N -1 1 322.361 0.348 20 0 DCADMM O=C(NCc1ccccc1CO)c1ccnc(-c2nnn[n-]2)c1 ZINC001606835668 1170308052 /nfs/dbraw/zinc/30/80/52/1170308052.db2.gz IBVRWFDPMJXYKZ-UHFFFAOYSA-N -1 1 310.317 0.684 20 0 DCADMM O=C(NCc1ccccc1CO)c1ccnc(-c2nn[n-]n2)c1 ZINC001606835668 1170308061 /nfs/dbraw/zinc/30/80/61/1170308061.db2.gz IBVRWFDPMJXYKZ-UHFFFAOYSA-N -1 1 310.317 0.684 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001606887717 1170322634 /nfs/dbraw/zinc/32/26/34/1170322634.db2.gz OXOQEWVPWIMBQV-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001606887717 1170322641 /nfs/dbraw/zinc/32/26/41/1170322641.db2.gz OXOQEWVPWIMBQV-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001606999248 1170349425 /nfs/dbraw/zinc/34/94/25/1170349425.db2.gz POHTUESEIKFCDU-GHMZBOCLSA-N -1 1 309.322 0.112 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H](Cn2ccnn2)C1 ZINC001607030606 1170359693 /nfs/dbraw/zinc/35/96/93/1170359693.db2.gz KIPXJVRBMSJCCA-SECBINFHSA-N -1 1 314.309 0.214 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H](Cn2ccnn2)C1 ZINC001607030606 1170359698 /nfs/dbraw/zinc/35/96/98/1170359698.db2.gz KIPXJVRBMSJCCA-SECBINFHSA-N -1 1 314.309 0.214 20 0 DCADMM O=S(=O)(CCCC1CC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001607057895 1170374587 /nfs/dbraw/zinc/37/45/87/1170374587.db2.gz LEYGXFHPUJIALB-UHFFFAOYSA-N -1 1 322.394 0.871 20 0 DCADMM O=S(=O)(CCCC1CC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001607057895 1170374596 /nfs/dbraw/zinc/37/45/96/1170374596.db2.gz LEYGXFHPUJIALB-UHFFFAOYSA-N -1 1 322.394 0.871 20 0 DCADMM O=S(=O)(NCCCC(F)F)c1cccnc1-c1nn[n-]n1 ZINC001607066414 1170376559 /nfs/dbraw/zinc/37/65/59/1170376559.db2.gz TYYQKKZJMLRCLX-UHFFFAOYSA-N -1 1 318.309 0.585 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]2C[C@@H]2C1 ZINC001607071183 1170378470 /nfs/dbraw/zinc/37/84/70/1170378470.db2.gz ANTUKPIZJAXAIJ-RKDXNWHRSA-N -1 1 306.351 0.292 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]2C[C@@H]2C1 ZINC001607071183 1170378473 /nfs/dbraw/zinc/37/84/73/1170378473.db2.gz ANTUKPIZJAXAIJ-RKDXNWHRSA-N -1 1 306.351 0.292 20 0 DCADMM O=S(=O)(NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001607067136 1170378541 /nfs/dbraw/zinc/37/85/41/1170378541.db2.gz YOCFUKGWMXGBQS-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM O=S(=O)(NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001607067136 1170378553 /nfs/dbraw/zinc/37/85/53/1170378553.db2.gz YOCFUKGWMXGBQS-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM O=S(=O)([N-]c1ccccc1O)c1ccc(-c2nn[nH]n2)o1 ZINC001607068900 1170379191 /nfs/dbraw/zinc/37/91/91/1170379191.db2.gz HGNZZNYERZAGAC-UHFFFAOYSA-N -1 1 307.291 0.966 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@@H]1CCCC2(CCC2)O1 ZINC001607089692 1170387244 /nfs/dbraw/zinc/38/72/44/1170387244.db2.gz IMXYFTGEKMKLSO-JTQLQIEISA-N -1 1 302.338 0.915 20 0 DCADMM OC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC001607101384 1170393634 /nfs/dbraw/zinc/39/36/34/1170393634.db2.gz HRVCBETVSFHOCY-CYBMUJFWSA-N -1 1 300.297 0.968 20 0 DCADMM OC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC001607101384 1170393638 /nfs/dbraw/zinc/39/36/38/1170393638.db2.gz HRVCBETVSFHOCY-CYBMUJFWSA-N -1 1 300.297 0.968 20 0 DCADMM O[C@@H]1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC[C@@H]1O ZINC001607109434 1170401708 /nfs/dbraw/zinc/40/17/08/1170401708.db2.gz RUWSHSRPBMIXRK-LETLQTKMSA-N -1 1 324.772 0.991 20 0 DCADMM O[C@@H]1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC[C@@H]1O ZINC001607109434 1170401709 /nfs/dbraw/zinc/40/17/09/1170401709.db2.gz RUWSHSRPBMIXRK-LETLQTKMSA-N -1 1 324.772 0.991 20 0 DCADMM c1cc([C@@H]2CCCN(c3ncncc3-c3nn[n-]n3)C2)ncn1 ZINC001607118160 1170403594 /nfs/dbraw/zinc/40/35/94/1170403594.db2.gz SMDSAOCIDSKULU-SNVBAGLBSA-N -1 1 309.337 0.831 20 0 DCADMM c1cc(NCCCOC[C@@H]2CCCO2)nc(-c2nn[n-]n2)n1 ZINC001607122002 1170404568 /nfs/dbraw/zinc/40/45/68/1170404568.db2.gz XQMMVLGPYDIDMA-JTQLQIEISA-N -1 1 305.342 0.076 20 0 DCADMM c1ccc(N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001607130084 1170405958 /nfs/dbraw/zinc/40/59/58/1170405958.db2.gz BOIMRNVZULHLKZ-JTQLQIEISA-N -1 1 309.337 0.164 20 0 DCADMM c1ncn(Cc2noc(-c3ccc(-c4nnn[n-]4)s3)n2)n1 ZINC001607137458 1170407452 /nfs/dbraw/zinc/40/74/52/1170407452.db2.gz AUUOKVIIZVHMCO-UHFFFAOYSA-N -1 1 301.295 0.618 20 0 DCADMM c1ncn(Cc2noc(-c3ccc(-c4nn[n-]n4)s3)n2)n1 ZINC001607137458 1170407453 /nfs/dbraw/zinc/40/74/53/1170407453.db2.gz AUUOKVIIZVHMCO-UHFFFAOYSA-N -1 1 301.295 0.618 20 0 DCADMM c1coc(-c2nnc(COc3cnc(-c4nn[n-]n4)nc3)o2)c1 ZINC001607135532 1170407556 /nfs/dbraw/zinc/40/75/56/1170407556.db2.gz JFULVGMSGHTELY-UHFFFAOYSA-N -1 1 312.249 0.879 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2CCC3(CCOCC3)O2)n1 ZINC001607138245 1170409050 /nfs/dbraw/zinc/40/90/50/1170409050.db2.gz DLNHTJJUKLKQGB-JTQLQIEISA-N -1 1 317.353 0.797 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CCO[C@]3(CCSC3)C2)n1 ZINC001607139202 1170409231 /nfs/dbraw/zinc/40/92/31/1170409231.db2.gz XRAXGXZKHOHUQR-GFCCVEGCSA-N -1 1 305.367 0.369 20 0 DCADMM c1ncn([C@@H]2CCN(Cc3nc(-c4nnn[n-]4)cs3)C2)n1 ZINC001607137471 1170409534 /nfs/dbraw/zinc/40/95/34/1170409534.db2.gz AZFHFTHYJFXVAA-MRVPVSSYSA-N -1 1 303.355 0.362 20 0 DCADMM c1ncn([C@@H]2CCN(Cc3nc(-c4nn[n-]n4)cs3)C2)n1 ZINC001607137471 1170409535 /nfs/dbraw/zinc/40/95/35/1170409535.db2.gz AZFHFTHYJFXVAA-MRVPVSSYSA-N -1 1 303.355 0.362 20 0 DCADMM COc1cccc([C@@H](C(=O)[O-])N(C)CCS(N)(=O)=O)c1 ZINC001607309108 1170426396 /nfs/dbraw/zinc/42/63/96/1170426396.db2.gz 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UZZAJICYAHNTGW-UHFFFAOYSA-N -1 1 305.294 0.932 20 0 DCADMM O=C([O-])c1cc(S(=O)(=O)NC2Cc3ccccc3C2)on1 ZINC000316268127 963996193 /nfs/dbraw/zinc/99/61/93/963996193.db2.gz ZLXPFZAVSJJOTI-UHFFFAOYSA-N -1 1 308.315 0.819 20 0 DCADMM CCn1ncnc1CN(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001368944843 964170462 /nfs/dbraw/zinc/17/04/62/964170462.db2.gz SXOHODBXRIRVSO-NSHDSACASA-N -1 1 318.381 0.649 20 0 DCADMM CC[C@@H](CNC(=O)C[C@](C)(O)C1CC1)NCc1n[nH]c(=O)[n-]1 ZINC001373738648 964553835 /nfs/dbraw/zinc/55/38/35/964553835.db2.gz BZURMZAEYFVUHK-HZMBPMFUSA-N -1 1 311.386 0.046 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2ccsc2)c1[O-] ZINC001369319664 964729023 /nfs/dbraw/zinc/72/90/23/964729023.db2.gz GLNYPUXMPXFZBQ-SNVBAGLBSA-N -1 1 310.379 0.366 20 0 DCADMM COCC(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001375822235 964872902 /nfs/dbraw/zinc/87/29/02/964872902.db2.gz KXZDSMZKGLPDJL-LLVKDONJSA-N -1 1 309.366 0.694 20 0 DCADMM CC(C)(C)[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CC1(F)F ZINC001369537771 965150088 /nfs/dbraw/zinc/15/00/88/965150088.db2.gz DHGMJUUUDKTMLK-YUMQZZPRSA-N -1 1 317.340 0.786 20 0 DCADMM Cc1[nH]nc(C(=O)N2CCN(C[C@@H]3C[C@]34CCOC4)CC2)c1[O-] ZINC001374278558 965214528 /nfs/dbraw/zinc/21/45/28/965214528.db2.gz AQKMZXDHORDCCU-LRDDRELGSA-N -1 1 320.393 0.608 20 0 DCADMM CC(C)[C@H](CNC(=O)Cc1cccnc1)NCc1n[nH]c(=O)[n-]1 ZINC001374415013 965358960 /nfs/dbraw/zinc/35/89/60/965358960.db2.gz FEZGAHUGPBEPLD-LBPRGKRZSA-N -1 1 318.381 0.378 20 0 DCADMM CC(C)[C@H](CNC(=O)C1CC(F)(F)C1)NCc1n[nH]c(=O)[n-]1 ZINC001374415164 965359623 /nfs/dbraw/zinc/35/96/23/965359623.db2.gz KPCALNPMOOBYSU-VIFPVBQESA-N -1 1 317.340 0.786 20 0 DCADMM O=C(CC(F)(F)F)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001376201285 965366775 /nfs/dbraw/zinc/36/67/75/965366775.db2.gz KYXOLXLQMJOGNP-ZETCQYMHSA-N -1 1 307.276 0.447 20 0 DCADMM Cc1ncc(CC(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C(C)C)o1 ZINC001374428086 965375972 /nfs/dbraw/zinc/37/59/72/965375972.db2.gz URWNVLXIHHEHNK-NSHDSACASA-N -1 1 322.369 0.280 20 0 DCADMM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001376230894 965413270 /nfs/dbraw/zinc/41/32/70/965413270.db2.gz NTGKTZMFTQDZAA-RWMBFGLXSA-N -1 1 319.409 0.931 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)CCc1ccoc1 ZINC001447830741 1013578244 /nfs/dbraw/zinc/57/82/44/1013578244.db2.gz ATSWTNOGDVROTA-NXEZZACHSA-N -1 1 307.354 0.719 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2ncccc2[O-])C1 ZINC001370005565 965684185 /nfs/dbraw/zinc/68/41/85/965684185.db2.gz ZXJRHCFUZZTWOU-GHMZBOCLSA-N -1 1 319.361 0.136 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ncc[nH]1 ZINC001430568115 1013594363 /nfs/dbraw/zinc/59/43/63/1013594363.db2.gz WPIAALIHUKVBMC-SECBINFHSA-N -1 1 303.322 0.449 20 0 DCADMM COCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001370249388 965921761 /nfs/dbraw/zinc/92/17/61/965921761.db2.gz SZLBPTUYACYZIN-WDEREUQCSA-N -1 1 307.350 0.591 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ccncn1)NC(=O)c1ncccc1[O-] ZINC001370573192 966250972 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CN(CCNC(=O)c1ncccc1[O-])CC(=O)NC(C)(C)C ZINC001371949470 967476592 /nfs/dbraw/zinc/47/65/92/967476592.db2.gz DAHNLRLOIPWOBM-UHFFFAOYSA-N -1 1 308.382 0.364 20 0 DCADMM Cc1conc1C(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001382537835 967478173 /nfs/dbraw/zinc/47/81/73/967478173.db2.gz DRCVDYJBXWAMBQ-VIFPVBQESA-N -1 1 322.369 0.741 20 0 DCADMM CN(C)c1noc(CN(C)CCNC(=O)c2ncccc2[O-])n1 ZINC001371951550 967483645 /nfs/dbraw/zinc/48/36/45/967483645.db2.gz LRRHCTOLIBSLLU-UHFFFAOYSA-N -1 1 320.353 0.098 20 0 DCADMM C[C@@H](NC(=O)c1cncnc1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001382767520 967657315 /nfs/dbraw/zinc/65/73/15/967657315.db2.gz PURFSNRKWMIRBN-ZJUUUORDSA-N -1 1 315.333 0.514 20 0 DCADMM Cc1cc(C(=O)NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])no1 ZINC001382902619 967737377 /nfs/dbraw/zinc/73/73/77/967737377.db2.gz CNYZOBLURWJHJT-SECBINFHSA-N -1 1 318.333 0.974 20 0 DCADMM CCN(CCNC(=O)C[C@@H](C)SC)Cc1nc(=O)n(C)[n-]1 ZINC001372316461 967886818 /nfs/dbraw/zinc/88/68/18/967886818.db2.gz HKZXGCXJFDKASU-SNVBAGLBSA-N -1 1 315.443 0.188 20 0 DCADMM COCCC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001372381721 967947330 /nfs/dbraw/zinc/94/73/30/967947330.db2.gz QCTYIDMGTGXPDD-NSHDSACASA-N -1 1 307.350 0.448 20 0 DCADMM CCN(CCNC(=O)[C@@H]1CC[C@H](F)C1)Cc1nc(=O)n(C)[n-]1 ZINC001372400347 967961807 /nfs/dbraw/zinc/96/18/07/967961807.db2.gz ULJNHRIAFNTTAK-MNOVXSKESA-N -1 1 313.377 0.185 20 0 DCADMM Cc1ncncc1C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001372783916 968368179 /nfs/dbraw/zinc/36/81/79/968368179.db2.gz SPCILDNIGZATKV-SECBINFHSA-N -1 1 315.333 0.434 20 0 DCADMM C[C@@H](CNC(=O)Cc1ccco1)NC(=O)c1ncccc1[O-] ZINC001373056270 968672754 /nfs/dbraw/zinc/67/27/54/968672754.db2.gz PKCXYWYRWWPCGH-JTQLQIEISA-N -1 1 303.318 0.857 20 0 DCADMM COC1(CC(=O)NCC[C@@H](C)NC(=O)c2cnn[nH]2)CCC1 ZINC001373268196 968876208 /nfs/dbraw/zinc/87/62/08/968876208.db2.gz VJAZCQRBWGRPKL-SNVBAGLBSA-N -1 1 309.370 0.389 20 0 DCADMM CCC[C@@H](CC)C(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001448336120 1013876161 /nfs/dbraw/zinc/87/61/61/1013876161.db2.gz OQDAEJFYRSURCV-VXGBXAGGSA-N -1 1 323.441 0.871 20 0 DCADMM O=C(N1CCC(O)(c2nn[n-]n2)CC1)[C@@]12CCO[C@H]1CCCC2 ZINC001448345997 1013879220 /nfs/dbraw/zinc/87/92/20/1013879220.db2.gz JINJFLWCJQNLCW-FZMZJTMJSA-N -1 1 321.381 0.359 20 0 DCADMM Cc1ccc([C@H](C)C(=O)N2CCC(O)(c3nn[n-]n3)CC2)o1 ZINC001448354938 1013882783 /nfs/dbraw/zinc/88/27/83/1013882783.db2.gz ZCSDZEQTABSNBY-JTQLQIEISA-N -1 1 305.338 0.715 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)COC1CCCC1 ZINC001431214988 1013951510 /nfs/dbraw/zinc/95/15/10/1013951510.db2.gz HYZONSHOOUHHDP-UHFFFAOYSA-N -1 1 321.377 0.935 20 0 DCADMM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cc(F)cc3nn[nH]c31)C2 ZINC001606553047 970332014 /nfs/dbraw/zinc/33/20/14/970332014.db2.gz CQVQZBKCLXNWAJ-WJWGPLDTSA-N -1 1 320.280 0.270 20 0 DCADMM C[C@@H](C(=O)[O-])C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC001609705859 970476924 /nfs/dbraw/zinc/47/69/24/970476924.db2.gz IEPGYUPDLKNAJC-ZETCQYMHSA-N -1 1 312.303 0.272 20 0 DCADMM COCC(C)(C)C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001431371716 1014019965 /nfs/dbraw/zinc/01/99/65/1014019965.db2.gz JWHZQWHSSKEWFY-UHFFFAOYSA-N -1 1 309.366 0.648 20 0 DCADMM O=C([O-])c1c(F)cccc1NC(=O)NCC(=O)N1CCNCC1 ZINC000320366068 970654437 /nfs/dbraw/zinc/65/44/37/970654437.db2.gz NQXIRCXFBNILNA-UHFFFAOYSA-N -1 1 324.312 0.077 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)Cn1cnc2ccccc21 ZINC000320625412 970686298 /nfs/dbraw/zinc/68/62/98/970686298.db2.gz FGOLDMQPNOYEHQ-LBPRGKRZSA-N -1 1 313.317 0.572 20 0 DCADMM CN(CCN1CC2(C1)CCOCC2)C(=O)CSCC(=O)[O-] ZINC001604174871 972591144 /nfs/dbraw/zinc/59/11/44/972591144.db2.gz HJTQWMNUYDFSID-UHFFFAOYSA-N -1 1 316.423 0.375 20 0 DCADMM COC(=O)[C@H]1CN(C)CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)C1 ZINC001604292658 972913458 /nfs/dbraw/zinc/91/34/58/972913458.db2.gz JRSGVKKRAGVNHV-QWRGUYRKSA-N -1 1 314.382 0.297 20 0 DCADMM C[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CCN1CC(C)(C)O ZINC001603440123 973223277 /nfs/dbraw/zinc/22/32/77/973223277.db2.gz QEGNYSUDEHCRCV-BDJLRTHQSA-N -1 1 312.410 0.791 20 0 DCADMM Cc1n[nH]cc1CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001605394487 973371663 /nfs/dbraw/zinc/37/16/63/973371663.db2.gz RAYJOZYGKLFZJK-LLVKDONJSA-N -1 1 306.366 0.616 20 0 DCADMM COc1cccc(CNC(=O)CN2C[C@H](C(=O)[O-])C[C@H](O)C2)c1 ZINC000401831305 973429459 /nfs/dbraw/zinc/42/94/59/973429459.db2.gz NWQXMRSJFDDVDJ-OLZOCXBDSA-N -1 1 322.361 0.079 20 0 DCADMM COC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001604541831 973526882 /nfs/dbraw/zinc/52/68/82/973526882.db2.gz KOIODWUDSYBFRT-HZMBPMFUSA-N -1 1 315.370 0.032 20 0 DCADMM Cn1nc(C(=O)[O-])cc1CN1CC2(CCOCC2)CC[C@H]1CO ZINC001605539023 973735298 /nfs/dbraw/zinc/73/52/98/973735298.db2.gz PXAUEFJLHDYWSS-LBPRGKRZSA-N -1 1 323.393 0.872 20 0 DCADMM COCCOc1cccc(CNC(=O)CNC(C)(C)C(=O)[O-])c1 ZINC001604626104 973747015 /nfs/dbraw/zinc/74/70/15/973747015.db2.gz KCTMKDZTKPVOQM-UHFFFAOYSA-N -1 1 324.377 0.781 20 0 DCADMM O=C([O-])Cn1cc(NC(=O)Cc2n[nH]c3c2CCCC3)cn1 ZINC001606339166 973768765 /nfs/dbraw/zinc/76/87/65/973768765.db2.gz BXLILCUDYNUPDG-UHFFFAOYSA-N -1 1 303.322 0.751 20 0 DCADMM Cn1ncc(I)c1CNCCC(=O)[O-] ZINC001605559363 973789894 /nfs/dbraw/zinc/78/98/94/973789894.db2.gz RVPCUWDXHNORRZ-UHFFFAOYSA-N -1 1 309.107 0.589 20 0 DCADMM CCC(CC)(NC(=O)[C@H]1CCc2nnn(C)c2C1)c1nn[n-]n1 ZINC001449025749 1014141749 /nfs/dbraw/zinc/14/17/49/1014141749.db2.gz RAQGEPFOAKAWLL-VIFPVBQESA-N -1 1 318.385 0.265 20 0 DCADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C(=O)N1CCOCC1 ZINC001549169841 1014158931 /nfs/dbraw/zinc/15/89/31/1014158931.db2.gz UIEGWSZAAYNQAH-NWDGAFQWSA-N -1 1 319.361 0.354 20 0 DCADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C[C@@H](O)CC1(O)CCCC1 ZINC001591711908 975599075 /nfs/dbraw/zinc/59/90/75/975599075.db2.gz JBVIKEHZLNBBAV-STQMWFEESA-N -1 1 303.399 0.853 20 0 DCADMM CC(C)Oc1cccnc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001591804379 976029419 /nfs/dbraw/zinc/02/94/19/976029419.db2.gz FHBKLAYZLVWJGV-LBPRGKRZSA-N -1 1 321.377 0.957 20 0 DCADMM CC(C)Oc1ncccc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001591811102 976041424 /nfs/dbraw/zinc/04/14/24/976041424.db2.gz BPFVUILFGHJCIA-LBPRGKRZSA-N -1 1 321.377 0.957 20 0 DCADMM CC(C)n1cc(CNCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nn1 ZINC001592126876 976952735 /nfs/dbraw/zinc/95/27/35/976952735.db2.gz MBIVGFBOYNIDIO-NWDGAFQWSA-N -1 1 309.370 0.176 20 0 DCADMM C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000706002997 977306139 /nfs/dbraw/zinc/30/61/39/977306139.db2.gz KWRDZCJBSJROTN-DOERSZECSA-N -1 1 306.362 0.898 20 0 DCADMM CCN(CCNC(=O)[C@@H]1CCCO1)C(=O)c1ncccc1[O-] ZINC001449296908 1014389491 /nfs/dbraw/zinc/38/94/91/1014389491.db2.gz PAOYNFDODWQIRP-LBPRGKRZSA-N -1 1 307.350 0.545 20 0 DCADMM CCN(CCNC(=O)C1=COCCO1)C(=O)c1ncccc1[O-] ZINC001528739110 1014400268 /nfs/dbraw/zinc/40/02/68/1014400268.db2.gz YBNSNXMGRROHSM-UHFFFAOYSA-N -1 1 321.333 0.254 20 0 DCADMM CN(C(=O)c1cccn2ncc(Br)c12)c1nn[n-]n1 ZINC001528748940 1014405090 /nfs/dbraw/zinc/40/50/90/1014405090.db2.gz 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C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CC1OCCCO1 ZINC001594513890 985812888 /nfs/dbraw/zinc/81/28/88/985812888.db2.gz ANJWZVFVIGZOON-NSHDSACASA-N -1 1 300.355 0.147 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CC1OCCCO1 ZINC001594513888 985813040 /nfs/dbraw/zinc/81/30/40/985813040.db2.gz ANJWZVFVIGZOON-LLVKDONJSA-N -1 1 300.355 0.147 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1COCC1(C)C ZINC001594516885 985917741 /nfs/dbraw/zinc/91/77/41/985917741.db2.gz VSKYJXOYZCOUFU-RYUDHWBXSA-N -1 1 313.398 0.602 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc2n(n1)CCC2 ZINC001594519873 985966633 /nfs/dbraw/zinc/96/66/33/985966633.db2.gz HUIMFZIPSIXNID-LLVKDONJSA-N -1 1 306.366 0.450 20 0 DCADMM C[C@@H]1CCCCN1C(=O)CN1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001594521657 985995018 /nfs/dbraw/zinc/99/50/18/985995018.db2.gz IOTSGEVCSKFGAU-KGLIPLIRSA-N -1 1 311.426 0.868 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=S)Nc1cnn(C)c1 ZINC001594521985 985999234 /nfs/dbraw/zinc/99/92/34/985999234.db2.gz 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20 0 DCADMM Cc1cnn(C)c1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001386236130 986984437 /nfs/dbraw/zinc/98/44/37/986984437.db2.gz HWIPPJYBKLYJCY-SNVBAGLBSA-N -1 1 317.349 0.377 20 0 DCADMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001386339076 987086165 /nfs/dbraw/zinc/08/61/65/987086165.db2.gz SLSYNGUVZSIBNM-GYSYKLTISA-N -1 1 321.377 0.837 20 0 DCADMM CN(CCNC(=O)[C@H]1CCCOCC1)C(=O)c1ncccc1[O-] ZINC001386877107 987472917 /nfs/dbraw/zinc/47/29/17/987472917.db2.gz XTRYLHSQEWTQEP-LBPRGKRZSA-N -1 1 321.377 0.792 20 0 DCADMM CC(C)(C(=O)[O-])N1CCN(C(=O)C(=O)N[C@@H]2CC=CCC2)CC1 ZINC001589620598 987498678 /nfs/dbraw/zinc/49/86/78/987498678.db2.gz MDCVKNRYPZZJIM-GFCCVEGCSA-N -1 1 323.393 0.219 20 0 DCADMM CCC(=O)NCCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C1CC1 ZINC001387454390 987842989 /nfs/dbraw/zinc/84/29/89/987842989.db2.gz NNOABASKVIIWES-UHFFFAOYSA-N -1 1 324.337 0.027 20 0 DCADMM CC[C@@H](CNC(=O)CN1CCCC1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001388082976 988023757 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CCc1nocc1CNC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001597756479 989172499 /nfs/dbraw/zinc/17/24/99/989172499.db2.gz IZICOUNWYJVLTI-CMPLNLGQSA-N -1 1 302.352 0.215 20 0 DCADMM C[C@@H]1CNCCN1C(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001599872810 989376545 /nfs/dbraw/zinc/37/65/45/989376545.db2.gz IGKGMIKCSUSCJX-LLVKDONJSA-N -1 1 319.361 0.463 20 0 DCADMM O=C(Cc1cccs1)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001389553931 989379513 /nfs/dbraw/zinc/37/95/13/989379513.db2.gz JJLBLOJVBWRUFU-NSHDSACASA-N -1 1 321.406 0.799 20 0 DCADMM CSC[C@H](C)C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001389560342 989385072 /nfs/dbraw/zinc/38/50/72/989385072.db2.gz KOPVOMHEAGCBTP-WPRPVWTQSA-N -1 1 313.427 0.494 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)c2ccn[nH]2)c1[O-] ZINC001450959458 1015484640 /nfs/dbraw/zinc/48/46/40/1015484640.db2.gz RSONLMVMPDIZOE-ZETCQYMHSA-N -1 1 306.326 0.037 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cc(=O)cc[nH]1 ZINC001450977324 1015499067 /nfs/dbraw/zinc/49/90/67/1015499067.db2.gz 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304.412 0.501 20 0 DCADMM CO[C@@H](C)CC(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001393966709 993379054 /nfs/dbraw/zinc/37/90/54/993379054.db2.gz LCVOUDRLYKRMIL-JTQLQIEISA-N -1 1 307.350 0.495 20 0 DCADMM COc1ccc(C(=O)N[C@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)o1 ZINC001393978081 993388423 /nfs/dbraw/zinc/38/84/23/993388423.db2.gz DDDFRCABGIYBPU-JGVFFNPUSA-N -1 1 309.326 0.409 20 0 DCADMM CN1CCC(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001598587370 993405005 /nfs/dbraw/zinc/40/50/05/993405005.db2.gz HVFXYQRETZGPAI-UHFFFAOYSA-N -1 1 312.391 0.686 20 0 DCADMM CN1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598597421 993526459 /nfs/dbraw/zinc/52/64/59/993526459.db2.gz FOXAPZYGFKWNPA-QWRGUYRKSA-N -1 1 304.412 0.596 20 0 DCADMM CN1CCCN(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CC1 ZINC001598600918 993571290 /nfs/dbraw/zinc/57/12/90/993571290.db2.gz GMFWVCGHMZUMOC-UHFFFAOYSA-N -1 1 309.370 0.872 20 0 DCADMM COc1ccc(F)cc1CCNCc1cn(CC(=O)[O-])nn1 ZINC001599582634 993572512 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0.214 20 0 DCADMM CCOC(=O)c1nc([C@@H](C)NC(=O)C2(O)CCCCC2)n[n-]1 ZINC001469993339 1016377475 /nfs/dbraw/zinc/37/74/75/1016377475.db2.gz IBJIWTCIMAPDBP-SECBINFHSA-N -1 1 310.354 0.854 20 0 DCADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C2(O)CCCCC2)[n-]1 ZINC001469993339 1016377485 /nfs/dbraw/zinc/37/74/85/1016377485.db2.gz IBJIWTCIMAPDBP-SECBINFHSA-N -1 1 310.354 0.854 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C2(O)CCCCC2)n1 ZINC001469993339 1016377496 /nfs/dbraw/zinc/37/74/96/1016377496.db2.gz IBJIWTCIMAPDBP-SECBINFHSA-N -1 1 310.354 0.854 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])CC(=O)Nc1ccon1 ZINC001418459437 1000246179 /nfs/dbraw/zinc/24/61/79/1000246179.db2.gz ZMBZHRKCSAXHKJ-UHFFFAOYSA-N -1 1 319.321 0.076 20 0 DCADMM Cc1cccc(CC(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)c1 ZINC001418493450 1000281846 /nfs/dbraw/zinc/28/18/46/1000281846.db2.gz IURBWNICCBVXKZ-UHFFFAOYSA-N -1 1 317.393 0.208 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)C1(C)CC(F)(F)C1 ZINC001401249606 1000307567 /nfs/dbraw/zinc/30/75/67/1000307567.db2.gz ADZQFVFINGYSFX-MRVPVSSYSA-N -1 1 317.340 0.882 20 0 DCADMM CN(CCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)Cc1nc(=O)n(C)[n-]1 ZINC001401370847 1000387258 /nfs/dbraw/zinc/38/72/58/1000387258.db2.gz MONPARFOHNBTLV-JHJVBQTASA-N -1 1 321.425 0.435 20 0 DCADMM CN(CCN(C)C(=O)[C@@H]1CC12CCCC2)Cc1nc(=O)n(C)[n-]1 ZINC001401427632 1000419145 /nfs/dbraw/zinc/41/91/45/1000419145.db2.gz DIGDRPXLQOAWOJ-LBPRGKRZSA-N -1 1 321.425 0.579 20 0 DCADMM C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)C1 ZINC001418689832 1000453820 /nfs/dbraw/zinc/45/38/20/1000453820.db2.gz ZILBHYHLPXFBHE-RISCZKNCSA-N -1 1 300.366 0.747 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(c2ccccn2)C1 ZINC001418803195 1000532097 /nfs/dbraw/zinc/53/20/97/1000532097.db2.gz ZKKKOGBHXJSLPL-UHFFFAOYSA-N -1 1 302.290 0.531 20 0 DCADMM CCn1ncc(Cl)c1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001418863267 1000574129 /nfs/dbraw/zinc/57/41/29/1000574129.db2.gz KHDHTZIOGWVPOA-MRVPVSSYSA-N -1 1 311.733 0.283 20 0 DCADMM Cc1oc(C(C)C)nc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001418864230 1000576730 /nfs/dbraw/zinc/57/67/30/1000576730.db2.gz VKBPJMMRUYJTBV-SECBINFHSA-N -1 1 306.326 0.833 20 0 DCADMM CC[C@@H](OC)C(=O)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001418883824 1000587252 /nfs/dbraw/zinc/58/72/52/1000587252.db2.gz FMNPHBBCLAKLRK-GHMZBOCLSA-N -1 1 311.386 0.264 20 0 DCADMM O=C(N[C@@H](CO)[C@@H](O)c1cccnc1)c1cccc([O-])c1F ZINC001418922488 1000617686 /nfs/dbraw/zinc/61/76/86/1000617686.db2.gz MKSGOSREADXNBQ-FZMZJTMJSA-N -1 1 306.293 0.751 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(F)c(F)c1 ZINC001401685191 1000625280 /nfs/dbraw/zinc/62/52/80/1000625280.db2.gz JGDVMRPHDDLHLP-ZETCQYMHSA-N -1 1 311.292 0.697 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1CCCC1(F)F ZINC001401696557 1000636737 /nfs/dbraw/zinc/63/67/37/1000636737.db2.gz BWRMJGLKUSZLFL-DTWKUNHWSA-N -1 1 317.340 0.930 20 0 DCADMM COC(=O)C1=NO[C@@]2(CCN(C(=O)c3ncc(C)cc3[O-])C2)C1 ZINC001418962441 1000649064 /nfs/dbraw/zinc/64/90/64/1000649064.db2.gz DTHHKVAFVFYIRG-HNNXBMFYSA-N -1 1 319.317 0.630 20 0 DCADMM CCCn1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001419021712 1000696446 /nfs/dbraw/zinc/69/64/46/1000696446.db2.gz MFUVBTZBTUTNCR-UHFFFAOYSA-N -1 1 317.349 0.791 20 0 DCADMM C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001401775780 1000713563 /nfs/dbraw/zinc/71/35/63/1000713563.db2.gz YOIIUHQBEVQHLQ-DRZSPHRISA-N -1 1 321.425 0.481 20 0 DCADMM C[C@@H](CC(=O)N1CC[C@@H](c2nn[n-]n2)C1)NC(=O)OC(C)(C)C ZINC001419044967 1000717250 /nfs/dbraw/zinc/71/72/50/1000717250.db2.gz WHKVWCVNUPZOKR-VHSXEESVSA-N -1 1 324.385 0.819 20 0 DCADMM C[C@@]1(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)CCCOC1 ZINC001401880272 1000811403 /nfs/dbraw/zinc/81/14/03/1000811403.db2.gz SUEHUZMYBRCWDR-IAQYHMDHSA-N -1 1 323.397 0.311 20 0 DCADMM CC[C@H](CNC(=O)c1ccccc1F)NCc1n[nH]c(=O)[n-]1 ZINC001419164869 1000835808 /nfs/dbraw/zinc/83/58/08/1000835808.db2.gz VZLIOJXYFXGKTQ-SECBINFHSA-N -1 1 307.329 0.948 20 0 DCADMM CC[C@H](CNC(=O)C1(COC)CCC1)NCc1n[nH]c(=O)[n-]1 ZINC001419207575 1000880061 /nfs/dbraw/zinc/88/00/61/1000880061.db2.gz FDTKJZJQLHWJMC-SNVBAGLBSA-N -1 1 311.386 0.311 20 0 DCADMM CCOc1cc(C(=O)NC[C@@H](CC)NCc2n[nH]c(=O)[n-]2)on1 ZINC001419214423 1000884858 /nfs/dbraw/zinc/88/48/58/1000884858.db2.gz LXSKKCQXTFMDLY-MRVPVSSYSA-N -1 1 324.341 0.195 20 0 DCADMM CC[C@@H](CNC(=O)c1cc(OC)ccn1)NCc1n[nH]c(=O)[n-]1 ZINC001419224348 1000894861 /nfs/dbraw/zinc/89/48/61/1000894861.db2.gz OXHXPSFEQJNGPG-VIFPVBQESA-N -1 1 320.353 0.212 20 0 DCADMM Cn1[nH]c(C[NH2+]C2(CNC(=O)C3CC4(CCC4)C3)CC2)nc1=O ZINC001401954979 1000899429 /nfs/dbraw/zinc/89/94/29/1000899429.db2.gz CIZMPSLGTWCVFV-UHFFFAOYSA-N -1 1 319.409 0.427 20 0 DCADMM CC(C)[C@@H](O)C(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001419296917 1000956260 /nfs/dbraw/zinc/95/62/60/1000956260.db2.gz PPPODIHXKMFTQO-LLVKDONJSA-N -1 1 311.386 0.046 20 0 DCADMM Cn1[n-]c(CN2CC[C@](C)(NC(=O)CC3CCCC3)C2)nc1=O ZINC001402127530 1001038750 /nfs/dbraw/zinc/03/87/50/1001038750.db2.gz SNZMFAWIQKUXIE-INIZCTEOSA-N -1 1 321.425 0.769 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H](CNC(=O)C(C)(C)F)C2)nc1=O ZINC001419528077 1001118172 /nfs/dbraw/zinc/11/81/72/1001118172.db2.gz SXUUNPGYLYMEEQ-JTQLQIEISA-N -1 1 313.377 0.185 20 0 DCADMM Cc1nnc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)s1 ZINC001470628813 1016468283 /nfs/dbraw/zinc/46/82/83/1016468283.db2.gz FNUSEHLCIXGXLM-SECBINFHSA-N -1 1 301.335 0.879 20 0 DCADMM COC[C@@H](NC(=O)c1cccc(N2CCCC2)c1)c1nn[n-]n1 ZINC001419558487 1001139583 /nfs/dbraw/zinc/13/95/83/1001139583.db2.gz WFLQNNBVPLUAFP-CYBMUJFWSA-N -1 1 316.365 0.917 20 0 DCADMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCCC1)c1cnco1 ZINC001419617287 1001173776 /nfs/dbraw/zinc/17/37/76/1001173776.db2.gz YABHVNUWBJEPFU-UHFFFAOYSA-N -1 1 306.326 0.331 20 0 DCADMM COCCN(CCNC(=O)c1ncccc1[O-])C(=O)C1CC1 ZINC001511850118 1016469064 /nfs/dbraw/zinc/46/90/64/1016469064.db2.gz UJHLLXVOIDTDRT-UHFFFAOYSA-N -1 1 307.350 0.402 20 0 DCADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCN1CCNC1=O ZINC001419703006 1001235064 /nfs/dbraw/zinc/23/50/64/1001235064.db2.gz PYCBCAVZISRGNW-UHFFFAOYSA-N -1 1 321.381 0.543 20 0 DCADMM C[C@@]1(C(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C2CC2)CCCOC1 ZINC001402348409 1001237938 /nfs/dbraw/zinc/23/79/38/1001237938.db2.gz VKAWVYZXDDUMRZ-IAQYHMDHSA-N -1 1 323.397 0.311 20 0 DCADMM O=C(NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1)[C@@H]1CC12CCC2 ZINC001402354952 1001243438 /nfs/dbraw/zinc/24/34/38/1001243438.db2.gz ZAYWDHGZFWYAKP-WDEREUQCSA-N -1 1 305.382 0.685 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NCc1nnnn1C1CC1 ZINC001419737497 1001265463 /nfs/dbraw/zinc/26/54/63/1001265463.db2.gz UIEKEULCHDMNEP-SECBINFHSA-N -1 1 317.353 0.017 20 0 DCADMM COCC1(C(=O)NC[C@@H](C)NCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001419762343 1001289137 /nfs/dbraw/zinc/28/91/37/1001289137.db2.gz GLXHGJMVZIKCNE-SNVBAGLBSA-N -1 1 311.386 0.311 20 0 DCADMM CC(C)OCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001402542826 1001396354 /nfs/dbraw/zinc/39/63/54/1001396354.db2.gz BTJUVDXFWLOARN-YOGCLGLASA-N -1 1 323.397 0.547 20 0 DCADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001402576752 1001418662 /nfs/dbraw/zinc/41/86/62/1001418662.db2.gz WKPOQLDGGTZGIR-WDEREUQCSA-N -1 1 307.398 0.931 20 0 DCADMM O=C(CCc1cccc(O)c1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001470935769 1016500661 /nfs/dbraw/zinc/50/06/61/1016500661.db2.gz STFJPBVPSAVBTO-LBPRGKRZSA-N -1 1 303.322 0.438 20 0 DCADMM CC(=O)OCC(C)(C)CC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001470933410 1016502993 /nfs/dbraw/zinc/50/29/93/1016502993.db2.gz DNFRTTUERCBNRQ-JTQLQIEISA-N -1 1 311.342 0.079 20 0 DCADMM C[C@H](CNC(=O)c1noc2c1CCCC2)NCc1n[nH]c(=O)[n-]1 ZINC001403021421 1001635945 /nfs/dbraw/zinc/63/59/45/1001635945.db2.gz PQXPVDQWFKCQIF-MRVPVSSYSA-N -1 1 320.353 0.285 20 0 DCADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001403086362 1001667028 /nfs/dbraw/zinc/66/70/28/1001667028.db2.gz OBLQUJUJAVVFBE-MRVPVSSYSA-N -1 1 321.385 0.439 20 0 DCADMM CCc1noc(CN(C)[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001403128902 1001686673 /nfs/dbraw/zinc/68/66/73/1001686673.db2.gz WTMZAQIXUVQMOU-SNVBAGLBSA-N -1 1 319.365 0.983 20 0 DCADMM COc1cnc(C(C)(C)NC(=O)c2nccnc2N)[n-]c1=O ZINC001419971543 1001735760 /nfs/dbraw/zinc/73/57/60/1001735760.db2.gz HOQAQDLGERXJFN-UHFFFAOYSA-N -1 1 304.310 0.228 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC001471178247 1016541044 /nfs/dbraw/zinc/54/10/44/1016541044.db2.gz FEKFBFUHYGRQCO-JTQLQIEISA-N -1 1 311.359 0.772 20 0 DCADMM Cc1cnc(CN(C)CCNC(=O)c2ncccc2[O-])cn1 ZINC001420207487 1002040387 /nfs/dbraw/zinc/04/03/87/1002040387.db2.gz BZRZWFRNMPOQFX-UHFFFAOYSA-N -1 1 301.350 0.747 20 0 DCADMM CCOc1cc(C(=O)N[C@@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)on1 ZINC001424806661 1002044083 /nfs/dbraw/zinc/04/40/83/1002044083.db2.gz RCZAEFDDLSMSHY-YUMQZZPRSA-N -1 1 324.341 0.194 20 0 DCADMM CNc1ncccc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001471391733 1016571146 /nfs/dbraw/zinc/57/11/46/1016571146.db2.gz TVBZATBRUZDTRV-UHFFFAOYSA-N -1 1 315.333 0.622 20 0 DCADMM Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)c2ncccc2[O-])s1 ZINC001420276770 1002153932 /nfs/dbraw/zinc/15/39/32/1002153932.db2.gz ZSOQQCIWEZYOJR-MRVPVSSYSA-N -1 1 307.379 0.855 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)CCNC(=O)C2CC2)c1[O-] ZINC001424933078 1002159230 /nfs/dbraw/zinc/15/92/30/1002159230.db2.gz QKRHVUMAYYAVEP-VIFPVBQESA-N -1 1 323.397 0.000 20 0 DCADMM CSc1ncc(C(=O)N2CCC[C@@H]2C2OCCO2)c(=O)[n-]1 ZINC001420324213 1002223799 /nfs/dbraw/zinc/22/37/99/1002223799.db2.gz LJNHBBKLNHTDQL-SECBINFHSA-N -1 1 311.363 0.882 20 0 DCADMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1ncc[nH]1 ZINC001512237754 1016592281 /nfs/dbraw/zinc/59/22/81/1016592281.db2.gz JYWZOBWARTXBAZ-NXEZZACHSA-N -1 1 317.349 0.837 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@@H](CO)NCc2cccc(F)c2)c1[O-] ZINC001403648856 1002271104 /nfs/dbraw/zinc/27/11/04/1002271104.db2.gz RHAWNZWHJCMEOG-LBPRGKRZSA-N -1 1 322.340 0.443 20 0 DCADMM Cc1c[nH]nc1C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001425040104 1002280510 /nfs/dbraw/zinc/28/05/10/1002280510.db2.gz AWZFYEDFQRYFQN-SNVBAGLBSA-N -1 1 317.349 0.709 20 0 DCADMM COC(=O)C(C)(C)CN(CC(C)C)C(=O)CCc1nn[n-]n1 ZINC001471553572 1016600434 /nfs/dbraw/zinc/60/04/34/1016600434.db2.gz ZZLKFFHWKIVRQK-UHFFFAOYSA-N -1 1 311.386 0.816 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)[C@@H](C)O)co1 ZINC001420438759 1002418075 /nfs/dbraw/zinc/41/80/75/1002418075.db2.gz KXWAKQXAHNVVDR-MRVPVSSYSA-N -1 1 304.368 0.325 20 0 DCADMM O=C(N[C@@H](CO)CC1OCCO1)c1ncc2ccccc2c1[O-] ZINC001471650752 1016622920 /nfs/dbraw/zinc/62/29/20/1016622920.db2.gz GVUVWLNSYPFBBD-LLVKDONJSA-N -1 1 318.329 0.794 20 0 DCADMM CC(C)CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC001425292182 1002526477 /nfs/dbraw/zinc/52/64/77/1002526477.db2.gz DWGLNBXPPXCYCZ-GFCCVEGCSA-N -1 1 323.441 0.871 20 0 DCADMM C[C@H](CN(C)C(=O)c1ccc(F)cn1)NCc1n[nH]c(=O)[n-]1 ZINC001425538155 1002781775 /nfs/dbraw/zinc/78/17/75/1002781775.db2.gz HHJJKEJSVIXMQW-MRVPVSSYSA-N -1 1 308.317 0.295 20 0 DCADMM CC(C)[C@H](C)C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC001420681484 1002796538 /nfs/dbraw/zinc/79/65/38/1002796538.db2.gz JAIGXIAUAKCJPH-NSHDSACASA-N -1 1 309.414 0.481 20 0 DCADMM O=C(Cc1ccnc(F)c1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001471853522 1016674932 /nfs/dbraw/zinc/67/49/32/1016674932.db2.gz LIGAMSSVORXUPQ-LLVKDONJSA-N -1 1 304.329 0.758 20 0 DCADMM Cc1cc(C)n(CC(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)n1 ZINC001471854213 1016675124 /nfs/dbraw/zinc/67/51/24/1016675124.db2.gz RRWFTZROMFUSOG-LBPRGKRZSA-N -1 1 303.370 0.494 20 0 DCADMM CC(C)(C)n1cnc(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)n1 ZINC001471852818 1016675151 /nfs/dbraw/zinc/67/51/51/1016675151.db2.gz DATSOVYMHJTCGF-SNVBAGLBSA-N -1 1 318.385 0.641 20 0 DCADMM CCO[C@H](C)C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001403962298 1002807059 /nfs/dbraw/zinc/80/70/59/1002807059.db2.gz UOUMFRATCJISAX-NXEZZACHSA-N -1 1 313.402 0.556 20 0 DCADMM C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCN1C(=O)c1ncccc1[O-] ZINC001425568936 1002827625 /nfs/dbraw/zinc/82/76/25/1002827625.db2.gz SKJBEYBZPQCKQH-QWRGUYRKSA-N -1 1 321.377 0.667 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)[C@H](C)c1nncn1C ZINC001505905501 1016685651 /nfs/dbraw/zinc/68/56/51/1016685651.db2.gz QVMBCAHFUMHFLN-GHMZBOCLSA-N -1 1 318.381 0.727 20 0 DCADMM Cc1cnc(C(=O)N(C)C[C@@H](C)NCc2n[nH]c(=O)[n-]2)c(C)c1 ZINC001425611144 1002886728 /nfs/dbraw/zinc/88/67/28/1002886728.db2.gz RJUOHSOHNVFMNF-LLVKDONJSA-N -1 1 318.381 0.772 20 0 DCADMM C[C@@H](CN(C)C(=O)CCc1ccccn1)NCc1n[nH]c(=O)[n-]1 ZINC001425612021 1002893387 /nfs/dbraw/zinc/89/33/87/1002893387.db2.gz FXLUVJXYORELDQ-NSHDSACASA-N -1 1 318.381 0.475 20 0 DCADMM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)CCCc1nn[n-]n1)O2 ZINC001471930073 1016691034 /nfs/dbraw/zinc/69/10/34/1016691034.db2.gz YHMCMZNVSXTCOA-OXJKWZBOSA-N -1 1 323.397 0.611 20 0 DCADMM CCc1nc(C(=O)N(C)C[C@H](C)NCc2n[nH]c(=O)[n-]2)c(C)o1 ZINC001425647824 1002925420 /nfs/dbraw/zinc/92/54/20/1002925420.db2.gz FXOCCMNOZVOIMZ-QMMMGPOBSA-N -1 1 322.369 0.619 20 0 DCADMM CCO[C@H](C)C(=O)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001420851330 1003030243 /nfs/dbraw/zinc/03/02/43/1003030243.db2.gz DRWMMTWWOBOQJN-MNOVXSKESA-N -1 1 311.386 0.264 20 0 DCADMM Cc1nc(CN[C@H](CO)CNC(=O)c2ncccc2[O-])c(C)o1 ZINC001425741550 1003037326 /nfs/dbraw/zinc/03/73/26/1003037326.db2.gz VLXFXJKZTCMXBW-NSHDSACASA-N -1 1 320.349 0.273 20 0 DCADMM CO[C@@H](C(=O)N(C)[C@H](C)CNCc1n[nH]c(=O)[n-]1)C1CCC1 ZINC001405860961 1003148284 /nfs/dbraw/zinc/14/82/84/1003148284.db2.gz XXWYARPOBCNKMT-BXKDBHETSA-N -1 1 311.386 0.262 20 0 DCADMM C[C@@]1(NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN(C/C=C\Cl)C1 ZINC001421228446 1003465902 /nfs/dbraw/zinc/46/59/02/1003465902.db2.gz VJTYOGSJKBFHOH-DTRQGZQOSA-N -1 1 315.761 0.022 20 0 DCADMM CC(C)OCC(=O)NCC1CC(NC(=O)c2ncccc2[O-])C1 ZINC001508366538 1016781015 /nfs/dbraw/zinc/78/10/15/1016781015.db2.gz ZCSLPFJRUOBMKJ-UHFFFAOYSA-N -1 1 321.377 0.837 20 0 DCADMM CCN(C(=O)CC1CCC1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001421322839 1003539916 /nfs/dbraw/zinc/53/99/16/1003539916.db2.gz GCROVJGWMKIMTG-ZDUSSCGKSA-N -1 1 321.425 0.721 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)OCC[C@H]2C)co1 ZINC001472393247 1016793420 /nfs/dbraw/zinc/79/34/20/1016793420.db2.gz IHFNMSGMESDVJV-NXEZZACHSA-N -1 1 316.379 0.827 20 0 DCADMM CC(C)[C@@H](O)C(=O)NCC1CC(NC(=O)c2ncccc2[O-])C1 ZINC001426337469 1003719191 /nfs/dbraw/zinc/71/91/91/1003719191.db2.gz CIMIIUNMEAKCCT-QIMFLAQGSA-N -1 1 321.377 0.429 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)C2CCC(OC)CC2)n[n-]1 ZINC001472546024 1016821189 /nfs/dbraw/zinc/82/11/89/1016821189.db2.gz NQYSEVVADASLPR-UHFFFAOYSA-N -1 1 310.354 0.803 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)C2CCC(OC)CC2)n1 ZINC001472546024 1016821209 /nfs/dbraw/zinc/82/12/09/1016821209.db2.gz NQYSEVVADASLPR-UHFFFAOYSA-N -1 1 310.354 0.803 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)c2cncc(Cl)c2)n[n-]1 ZINC001472546794 1016821541 /nfs/dbraw/zinc/82/15/41/1016821541.db2.gz ZHBUBRLSJUBTNA-UHFFFAOYSA-N -1 1 309.713 0.960 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cncc(Cl)c2)n1 ZINC001472546794 1016821559 /nfs/dbraw/zinc/82/15/59/1016821559.db2.gz ZHBUBRLSJUBTNA-UHFFFAOYSA-N -1 1 309.713 0.960 20 0 DCADMM C[C@@H]1CC[C@H](O)CN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001428166813 1003739322 /nfs/dbraw/zinc/73/93/22/1003739322.db2.gz DYRMNKNNJZULBD-ZJUUUORDSA-N -1 1 322.365 0.310 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H](C)c1cccnc1 ZINC001406545809 1003817159 /nfs/dbraw/zinc/81/71/59/1003817159.db2.gz PNCUWMFXPHSRIC-UWVGGRQHSA-N -1 1 304.354 0.303 20 0 DCADMM CCO[C@H](C)C(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001426579483 1003873123 /nfs/dbraw/zinc/87/31/23/1003873123.db2.gz FZEUSUWWQJKBQA-GHMZBOCLSA-N -1 1 309.366 0.789 20 0 DCADMM C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C(C)(C)C1CC1 ZINC001406645610 1003962839 /nfs/dbraw/zinc/96/28/39/1003962839.db2.gz LISSCCPRZTYZIL-JTQLQIEISA-N -1 1 309.414 0.481 20 0 DCADMM CCO[C@H](C)C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001407185086 1004453825 /nfs/dbraw/zinc/45/38/25/1004453825.db2.gz BHVPIJDZLDFTRS-NEPJUHHUSA-N -1 1 321.377 0.885 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NC(=O)CN2CCCC2)c1[O-] ZINC001508540946 1016894817 /nfs/dbraw/zinc/89/48/17/1016894817.db2.gz VYMAIDSPUKTLAW-VHSXEESVSA-N -1 1 323.397 0.143 20 0 DCADMM O=C(NC[C@H](NC(=O)[C@@H]1CCCO1)C1CC1)c1ncccc1[O-] ZINC001407634110 1004775170 /nfs/dbraw/zinc/77/51/70/1004775170.db2.gz XMZUHTBQEVSRMH-AAEUAGOBSA-N -1 1 319.361 0.591 20 0 DCADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1cn(C)cn1 ZINC001408457524 1005208708 /nfs/dbraw/zinc/20/87/08/1005208708.db2.gz AHVHPRWOQIWQTH-SNVBAGLBSA-N -1 1 317.349 0.459 20 0 DCADMM COc1nscc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO ZINC001414249608 1005265484 /nfs/dbraw/zinc/26/54/84/1005265484.db2.gz NJTKIQLEZHRAOD-DTWKUNHWSA-N -1 1 306.409 0.981 20 0 DCADMM COc1nscc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CCO ZINC001414249615 1005265509 /nfs/dbraw/zinc/26/55/09/1005265509.db2.gz NJTKIQLEZHRAOD-RKDXNWHRSA-N -1 1 306.409 0.981 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C)C1 ZINC001414312903 1005283638 /nfs/dbraw/zinc/28/36/38/1005283638.db2.gz ZBBIMLUZWANPPY-DTWKUNHWSA-N -1 1 301.368 0.911 20 0 DCADMM COCCC(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001414630098 1005372762 /nfs/dbraw/zinc/37/27/62/1005372762.db2.gz UFTXLJKLAWVILS-UHFFFAOYSA-N -1 1 307.350 0.498 20 0 DCADMM CCC(=O)N1CCN(CCNC(=O)c2ncccc2[O-])CC1 ZINC001414747882 1005394932 /nfs/dbraw/zinc/39/49/32/1005394932.db2.gz BONSUOIPTQQQCU-UHFFFAOYSA-N -1 1 306.366 0.071 20 0 DCADMM Cc1ccc(C(=O)NCCN(C)C(=O)c2ncccc2[O-])nn1 ZINC001415489539 1005544513 /nfs/dbraw/zinc/54/45/13/1005544513.db2.gz CGYMRGKYOFWHBE-UHFFFAOYSA-N -1 1 315.333 0.388 20 0 DCADMM Cc1nc[nH]c1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001416887168 1005753478 /nfs/dbraw/zinc/75/34/78/1005753478.db2.gz FYSMYCMCWUXULS-QMMMGPOBSA-N -1 1 303.322 0.367 20 0 DCADMM O=C(C[C@@H]1CCOC1)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001417009519 1005770006 /nfs/dbraw/zinc/77/00/06/1005770006.db2.gz 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ZINC001417704755 1005872182 /nfs/dbraw/zinc/87/21/82/1005872182.db2.gz FRNZEPPDSLZTTN-PSASIEDQSA-N -1 1 305.342 0.650 20 0 DCADMM CC(=O)N1CCC(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)CC1 ZINC001417720168 1005875952 /nfs/dbraw/zinc/87/59/52/1005875952.db2.gz TYFMRJMJRQVCKF-LLVKDONJSA-N -1 1 324.410 0.075 20 0 DCADMM COc1cncc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1C ZINC001417725964 1005877132 /nfs/dbraw/zinc/87/71/32/1005877132.db2.gz PYAKZZMLKCZFHX-UHFFFAOYSA-N -1 1 318.337 0.036 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)C2CCC2)co1 ZINC001418036146 1005965745 /nfs/dbraw/zinc/96/57/45/1005965745.db2.gz BTAFSADRSHDASJ-JTQLQIEISA-N -1 1 302.352 0.079 20 0 DCADMM CC(C)C[C@H](CO)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001434831871 1006023447 /nfs/dbraw/zinc/02/34/47/1006023447.db2.gz ZEZIDIMFDHJODU-SNVBAGLBSA-N -1 1 324.381 0.461 20 0 DCADMM Cc1cc(C(=O)NC[C@H]2CCN2C(=O)c2ncccc2[O-])on1 ZINC001435714514 1006085595 /nfs/dbraw/zinc/08/55/95/1006085595.db2.gz YVWUYVQDBQQCJB-SNVBAGLBSA-N -1 1 316.317 0.728 20 0 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O=S(=O)(N[C@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489672 607747471 /nfs/dbraw/zinc/74/74/71/607747471.db2.gz WYMBECFDNCRFQH-ZETCQYMHSA-N -1 1 313.314 0.073 20 0 DCADMM CC(C)CNC(=O)NC(=O)CN1CC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000833797176 605562008 /nfs/dbraw/zinc/56/20/08/605562008.db2.gz UJHGGXMXTGOYGG-QWRGUYRKSA-N -1 1 314.386 0.446 20 0 DCADMM COCCN1CCC[C@H](NC(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC000833723823 605566030 /nfs/dbraw/zinc/56/60/30/605566030.db2.gz BNTSMIFQDKWUCB-JTQLQIEISA-N -1 1 308.338 0.015 20 0 DCADMM O=C([O-])NCC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000834193607 605812726 /nfs/dbraw/zinc/81/27/26/605812726.db2.gz KUBXYORRBKJUPM-UHFFFAOYSA-N -1 1 313.398 0.605 20 0 DCADMM O=C([O-])NCCNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000834242376 605821318 /nfs/dbraw/zinc/82/13/18/605821318.db2.gz ZWHGWKXMGRFUFP-JTQLQIEISA-N -1 1 322.369 0.839 20 0 DCADMM O=C([O-])N1CCC[C@H]1CCC(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000833995286 605965672 /nfs/dbraw/zinc/96/56/72/605965672.db2.gz RLZFFWXPVXYVIQ-QWRGUYRKSA-N -1 1 322.369 0.828 20 0 DCADMM O=C([O-])N1CCC[C@H]1CCC(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000833995285 605965809 /nfs/dbraw/zinc/96/58/09/605965809.db2.gz RLZFFWXPVXYVIQ-MNOVXSKESA-N -1 1 322.369 0.828 20 0 DCADMM Cn1cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000822669656 606136412 /nfs/dbraw/zinc/13/64/12/606136412.db2.gz LFOCDZDAFDMEAK-UHFFFAOYSA-N -1 1 318.318 0.701 20 0 DCADMM Cn1cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000822669656 606136414 /nfs/dbraw/zinc/13/64/14/606136414.db2.gz LFOCDZDAFDMEAK-UHFFFAOYSA-N -1 1 318.318 0.701 20 0 DCADMM C[C@@H](O)C[C@@H](C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820473853 606160579 /nfs/dbraw/zinc/16/05/79/606160579.db2.gz MWMFINYBYSNDFO-HTQZYQBOSA-N -1 1 308.346 0.129 20 0 DCADMM C[C@@H](O)C[C@@H](C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820473853 606160581 /nfs/dbraw/zinc/16/05/81/606160581.db2.gz MWMFINYBYSNDFO-HTQZYQBOSA-N -1 1 308.346 0.129 20 0 DCADMM CN(C[C@H]1CCOC1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821598122 606170025 /nfs/dbraw/zinc/17/00/25/606170025.db2.gz RCAHJPCGOPUISG-MRVPVSSYSA-N -1 1 306.330 0.100 20 0 DCADMM CN(C[C@H]1CCOC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821598122 606170026 /nfs/dbraw/zinc/17/00/26/606170026.db2.gz RCAHJPCGOPUISG-MRVPVSSYSA-N -1 1 306.330 0.100 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCO ZINC000822542230 606183478 /nfs/dbraw/zinc/18/34/78/606183478.db2.gz VZHXHMKJPQOFSZ-UHFFFAOYSA-N -1 1 316.321 0.671 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCO ZINC000822542230 606183480 /nfs/dbraw/zinc/18/34/80/606183480.db2.gz VZHXHMKJPQOFSZ-UHFFFAOYSA-N -1 1 316.321 0.671 20 0 DCADMM Cc1ccccc1Cc1noc(Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000822362458 606204169 /nfs/dbraw/zinc/20/41/69/606204169.db2.gz UKMLEUGPEJEDRN-UHFFFAOYSA-N -1 1 323.320 0.789 20 0 DCADMM Cn1cc([C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)cn1 ZINC000822674062 606228667 /nfs/dbraw/zinc/22/86/67/606228667.db2.gz KMIGWUHFVDLONQ-LBPRGKRZSA-N -1 1 312.337 0.573 20 0 DCADMM Cn1cc([C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)cn1 ZINC000822674062 606228668 /nfs/dbraw/zinc/22/86/68/606228668.db2.gz KMIGWUHFVDLONQ-LBPRGKRZSA-N -1 1 312.337 0.573 20 0 DCADMM CN1CC[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1=O ZINC000821621820 606295359 /nfs/dbraw/zinc/29/53/59/606295359.db2.gz HQVKWJSAOSHRDB-SECBINFHSA-N -1 1 316.321 0.379 20 0 DCADMM O=S1(=O)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000823612935 606465721 /nfs/dbraw/zinc/46/57/21/606465721.db2.gz GTQUAHWZJUYRJQ-UHFFFAOYSA-N -1 1 314.758 0.150 20 0 DCADMM O=S1(=O)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000823612935 606465722 /nfs/dbraw/zinc/46/57/22/606465722.db2.gz GTQUAHWZJUYRJQ-UHFFFAOYSA-N -1 1 314.758 0.150 20 0 DCADMM NC(=O)C1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC000822859087 606512482 /nfs/dbraw/zinc/51/24/82/606512482.db2.gz FMPAHVNVTYATSZ-UHFFFAOYSA-N -1 1 320.378 0.846 20 0 DCADMM NC(=O)C1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC000822859087 606512483 /nfs/dbraw/zinc/51/24/83/606512483.db2.gz FMPAHVNVTYATSZ-UHFFFAOYSA-N -1 1 320.378 0.846 20 0 DCADMM CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819796315 606516249 /nfs/dbraw/zinc/51/62/49/606516249.db2.gz DWXSALCVHCROIN-UHFFFAOYSA-N -1 1 306.351 0.233 20 0 DCADMM CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819796315 606516251 /nfs/dbraw/zinc/51/62/51/606516251.db2.gz DWXSALCVHCROIN-UHFFFAOYSA-N -1 1 306.351 0.233 20 0 DCADMM NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000822860517 606518942 /nfs/dbraw/zinc/51/89/42/606518942.db2.gz XILWXMIMQSMNSA-SSDOTTSWSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000822860517 606518944 /nfs/dbraw/zinc/51/89/44/606518944.db2.gz XILWXMIMQSMNSA-SSDOTTSWSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822859366 606551096 /nfs/dbraw/zinc/55/10/96/606551096.db2.gz GVJCGDQOKLDTSU-UHFFFAOYSA-N -1 1 320.378 0.702 20 0 DCADMM NC(=O)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822859366 606551098 /nfs/dbraw/zinc/55/10/98/606551098.db2.gz GVJCGDQOKLDTSU-UHFFFAOYSA-N -1 1 320.378 0.702 20 0 DCADMM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822859739 606583172 /nfs/dbraw/zinc/58/31/72/606583172.db2.gz ITTMYQQZNBZYRW-YUMQZZPRSA-N -1 1 320.378 0.702 20 0 DCADMM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822859739 606583174 /nfs/dbraw/zinc/58/31/74/606583174.db2.gz ITTMYQQZNBZYRW-YUMQZZPRSA-N -1 1 320.378 0.702 20 0 DCADMM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820287375 606625609 /nfs/dbraw/zinc/62/56/09/606625609.db2.gz LGDLORCSQKIMIS-ONGXEEELSA-N -1 1 318.337 0.186 20 0 DCADMM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820287375 606625611 /nfs/dbraw/zinc/62/56/11/606625611.db2.gz LGDLORCSQKIMIS-ONGXEEELSA-N -1 1 318.337 0.186 20 0 DCADMM Cc1ccn2c(c1)nnc2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822374441 606693464 /nfs/dbraw/zinc/69/34/64/606693464.db2.gz WSCSJYYVCJGBJR-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1ccn2c(c1)nnc2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822374441 606693465 /nfs/dbraw/zinc/69/34/65/606693465.db2.gz WSCSJYYVCJGBJR-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM CCO[C@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)C ZINC000821352159 606734791 /nfs/dbraw/zinc/73/47/91/606734791.db2.gz YFUWJBJBQAHKCU-SNVBAGLBSA-N -1 1 307.358 0.990 20 0 DCADMM CCO[C@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC000821352159 606734792 /nfs/dbraw/zinc/73/47/92/606734792.db2.gz YFUWJBJBQAHKCU-SNVBAGLBSA-N -1 1 307.358 0.990 20 0 DCADMM CCOC(=O)C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821326370 606758228 /nfs/dbraw/zinc/75/82/28/606758228.db2.gz WISLJXNZTJVUFR-SSDOTTSWSA-N -1 1 309.351 1.000 20 0 DCADMM CCOC(=O)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821326370 606758229 /nfs/dbraw/zinc/75/82/29/606758229.db2.gz WISLJXNZTJVUFR-SSDOTTSWSA-N -1 1 309.351 1.000 20 0 DCADMM CCc1nnc(COC(=O)c2ccc(-c3nn[n-]n3)s2)n1C ZINC000821516837 606775439 /nfs/dbraw/zinc/77/54/39/606775439.db2.gz DHVCSUKGMALMIZ-UHFFFAOYSA-N -1 1 319.350 0.976 20 0 DCADMM CCc1nnc(COC(=O)c2ccc(-c3nnn[n-]3)s2)n1C ZINC000821516837 606775437 /nfs/dbraw/zinc/77/54/37/606775437.db2.gz DHVCSUKGMALMIZ-UHFFFAOYSA-N -1 1 319.350 0.976 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@]2(CCOC2)C1 ZINC000823478344 606815083 /nfs/dbraw/zinc/81/50/83/606815083.db2.gz JMBYVYYNTMKKOH-CQSZACIVSA-N -1 1 300.322 0.514 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@]2(CCOC2)C1 ZINC000823478344 606815084 /nfs/dbraw/zinc/81/50/84/606815084.db2.gz JMBYVYYNTMKKOH-CQSZACIVSA-N -1 1 300.322 0.514 20 0 DCADMM c1ccc(O[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)nc1 ZINC000823792270 606879777 /nfs/dbraw/zinc/87/97/77/606879777.db2.gz RLUUNAZSDMJFEH-JTQLQIEISA-N -1 1 310.321 0.709 20 0 DCADMM c1ccc(O[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)nc1 ZINC000823792270 606879779 /nfs/dbraw/zinc/87/97/79/606879779.db2.gz RLUUNAZSDMJFEH-JTQLQIEISA-N -1 1 310.321 0.709 20 0 DCADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)c1nnc2n1CCCC2 ZINC000820461547 607027725 /nfs/dbraw/zinc/02/77/25/607027725.db2.gz MBZFIMHVWQDFOP-MRVPVSSYSA-N -1 1 312.341 0.758 20 0 DCADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1nnc2n1CCCC2 ZINC000820461547 607027726 /nfs/dbraw/zinc/02/77/26/607027726.db2.gz MBZFIMHVWQDFOP-MRVPVSSYSA-N -1 1 312.341 0.758 20 0 DCADMM O=C(N[C@H]1CCCc2c[nH]nc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823149581 607097386 /nfs/dbraw/zinc/09/73/86/607097386.db2.gz CMZQQOUBGLTCEC-JTQLQIEISA-N -1 1 310.321 0.792 20 0 DCADMM O=C(CCCNC(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822958951 607103331 /nfs/dbraw/zinc/10/33/31/607103331.db2.gz PASFMXLFSWBEQA-UHFFFAOYSA-N -1 1 321.366 0.568 20 0 DCADMM O=C(CCCNC(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822958951 607103332 /nfs/dbraw/zinc/10/33/32/607103332.db2.gz PASFMXLFSWBEQA-UHFFFAOYSA-N -1 1 321.366 0.568 20 0 DCADMM C[C@@H](Cc1cccs1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820299840 607206974 /nfs/dbraw/zinc/20/69/74/607206974.db2.gz LKANDTBLXUISLH-QMMMGPOBSA-N -1 1 318.366 0.267 20 0 DCADMM C[C@@H]1CCC[C@H](C)N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820691114 607219271 /nfs/dbraw/zinc/21/92/71/607219271.db2.gz VLKBFZJWFATOTG-ZJUUUORDSA-N -1 1 304.358 0.495 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000823127026 607219569 /nfs/dbraw/zinc/21/95/69/607219569.db2.gz QZKLZICINHMFBN-NEPJUHHUSA-N -1 1 324.348 0.206 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000823127115 607219906 /nfs/dbraw/zinc/21/99/06/607219906.db2.gz UCZUFMJVDXIUQQ-GARJFASQSA-N -1 1 316.369 0.543 20 0 DCADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820650645 607221193 /nfs/dbraw/zinc/22/11/93/607221193.db2.gz XADCVGHCSVXLSI-NXEZZACHSA-N -1 1 318.385 0.789 20 0 DCADMM COc1ccc(F)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821828064 607223107 /nfs/dbraw/zinc/22/31/07/607223107.db2.gz OXWKBFOUFNYNOJ-UHFFFAOYSA-N -1 1 318.272 0.245 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3c(c2)ncn3C)n1 ZINC000826357981 607801135 /nfs/dbraw/zinc/80/11/35/607801135.db2.gz ZAXNEFGFZKFVSJ-UHFFFAOYSA-N -1 1 323.320 0.739 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3c(c2)ncn3C)n1 ZINC000826357981 607801136 /nfs/dbraw/zinc/80/11/36/607801136.db2.gz ZAXNEFGFZKFVSJ-UHFFFAOYSA-N -1 1 323.320 0.739 20 0 DCADMM C[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC000824428534 607822294 /nfs/dbraw/zinc/82/22/94/607822294.db2.gz SOAAHEFJMIZFHE-ZCFIWIBFSA-N -1 1 316.774 0.760 20 0 DCADMM C[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC000824428534 607822295 /nfs/dbraw/zinc/82/22/95/607822295.db2.gz SOAAHEFJMIZFHE-ZCFIWIBFSA-N -1 1 316.774 0.760 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Cl)cc1O ZINC000826425546 607836088 /nfs/dbraw/zinc/83/60/88/607836088.db2.gz IZRBIPXSDVPONJ-UHFFFAOYSA-N -1 1 320.700 0.456 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC12CCC(CC1)C2 ZINC000826425735 607944936 /nfs/dbraw/zinc/94/49/36/607944936.db2.gz QUEAAJAXBZDWHM-UHFFFAOYSA-N -1 1 302.342 0.155 20 0 DCADMM O=C(O[C@@H]1CC(=O)N(C2CC2)C1)c1sccc1-c1nn[n-]n1 ZINC000826462255 608076004 /nfs/dbraw/zinc/07/60/04/608076004.db2.gz SMIISWLGLGPKTG-MRVPVSSYSA-N -1 1 319.346 0.848 20 0 DCADMM CC(C)CSCCCn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000824274460 608095537 /nfs/dbraw/zinc/09/55/37/608095537.db2.gz IEJNASJYOKRUMY-UHFFFAOYSA-N -1 1 324.410 0.506 20 0 DCADMM O=C(Nc1nc2ccccn2n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826460173 608091289 /nfs/dbraw/zinc/09/12/89/608091289.db2.gz PYSMPFPOFNZIAJ-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1nc2ccccn2n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826460173 608091290 /nfs/dbraw/zinc/09/12/90/608091290.db2.gz PYSMPFPOFNZIAJ-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825486790 608139515 /nfs/dbraw/zinc/13/95/15/608139515.db2.gz YUPQPWQRSMKJBC-BDAKNGLRSA-N -1 1 318.337 0.579 20 0 DCADMM CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825486790 608139516 /nfs/dbraw/zinc/13/95/16/608139516.db2.gz YUPQPWQRSMKJBC-BDAKNGLRSA-N -1 1 318.337 0.579 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCCCc1ccccc1 ZINC000826425052 608147850 /nfs/dbraw/zinc/14/78/50/608147850.db2.gz OEEDIOSOMPTPKG-UHFFFAOYSA-N -1 1 311.349 0.812 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCCCc1ccccc1 ZINC000826425052 608147848 /nfs/dbraw/zinc/14/78/48/608147848.db2.gz OEEDIOSOMPTPKG-UHFFFAOYSA-N -1 1 311.349 0.812 20 0 DCADMM COC[C@H](O)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826152012 608229940 /nfs/dbraw/zinc/22/99/40/608229940.db2.gz OGCXRDRFBLIBHV-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM COC[C@H](O)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826152012 608229943 /nfs/dbraw/zinc/22/99/43/608229943.db2.gz OGCXRDRFBLIBHV-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM O=C1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1c1ccccc1 ZINC000826479372 608406003 /nfs/dbraw/zinc/40/60/03/608406003.db2.gz XHPOHRSDCHREBL-JTQLQIEISA-N -1 1 322.332 0.874 20 0 DCADMM O=C1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1c1ccccc1 ZINC000826479372 608406005 /nfs/dbraw/zinc/40/60/05/608406005.db2.gz XHPOHRSDCHREBL-JTQLQIEISA-N -1 1 322.332 0.874 20 0 DCADMM Cn1cc(C[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC000826360493 608428580 /nfs/dbraw/zinc/42/85/80/608428580.db2.gz MLRGJEOFIJTGST-JTQLQIEISA-N -1 1 311.353 0.459 20 0 DCADMM Cn1cc(C[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC000826360493 608428582 /nfs/dbraw/zinc/42/85/82/608428582.db2.gz MLRGJEOFIJTGST-JTQLQIEISA-N -1 1 311.353 0.459 20 0 DCADMM c1c(CNc2ccc(-c3nnn[n-]3)nn2)nnn1-c1ccccc1 ZINC000826519658 608431112 /nfs/dbraw/zinc/43/11/12/608431112.db2.gz IFTWNCUIRDRABQ-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1c(CNc2ccc(-c3nn[n-]n3)nn2)nnn1-c1ccccc1 ZINC000826519658 608431113 /nfs/dbraw/zinc/43/11/13/608431113.db2.gz IFTWNCUIRDRABQ-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cncc(O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC000826526136 608433650 /nfs/dbraw/zinc/43/36/50/608433650.db2.gz MIIBJKWERQRNPN-LLVKDONJSA-N -1 1 310.321 0.709 20 0 DCADMM c1cncc(O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC000826526136 608433651 /nfs/dbraw/zinc/43/36/51/608433651.db2.gz MIIBJKWERQRNPN-LLVKDONJSA-N -1 1 310.321 0.709 20 0 DCADMM C[C@H]1CC(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824893970 608472012 /nfs/dbraw/zinc/47/20/12/608472012.db2.gz WEKYRJFSXUZAEH-YUMQZZPRSA-N -1 1 320.357 0.678 20 0 DCADMM C[C@H]1CC(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824893970 608472013 /nfs/dbraw/zinc/47/20/13/608472013.db2.gz WEKYRJFSXUZAEH-YUMQZZPRSA-N -1 1 320.357 0.678 20 0 DCADMM CC(=O)NC[C@@H]1CCCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC000823994696 608543391 /nfs/dbraw/zinc/54/33/91/608543391.db2.gz MOENYVNLDJBBSE-LBPRGKRZSA-N -1 1 315.381 0.923 20 0 DCADMM CC(C)c1nnc(Cn2cccc(-c3nn[n-]n3)c2=O)n1C ZINC000824364438 608583810 /nfs/dbraw/zinc/58/38/10/608583810.db2.gz GSXAJVHUNMUKHR-UHFFFAOYSA-N -1 1 300.326 0.329 20 0 DCADMM COC(=O)[C@H](COC(C)C)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826103617 608846868 /nfs/dbraw/zinc/84/68/68/608846868.db2.gz IQIVUJKUIANPDY-NSHDSACASA-N -1 1 323.353 0.858 20 0 DCADMM COC(=O)[C@H](COC(C)C)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826103617 608846869 /nfs/dbraw/zinc/84/68/69/608846869.db2.gz IQIVUJKUIANPDY-NSHDSACASA-N -1 1 323.353 0.858 20 0 DCADMM Cc1nn(Cc2cnc3ccccn23)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334624 609174854 /nfs/dbraw/zinc/17/48/54/609174854.db2.gz CANMRQNNNSCGDL-UHFFFAOYSA-N -1 1 322.332 0.736 20 0 DCADMM CN(C)C(=O)CC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000825838850 609311376 /nfs/dbraw/zinc/31/13/76/609311376.db2.gz DAGOXXNAELTQDU-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(C)C(=O)CC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000825838850 609311378 /nfs/dbraw/zinc/31/13/78/609311378.db2.gz DAGOXXNAELTQDU-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825908902 609403581 /nfs/dbraw/zinc/40/35/81/609403581.db2.gz NZIPXJHNJIKTJK-WCQYABFASA-N -1 1 316.365 0.885 20 0 DCADMM CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825908902 609403582 /nfs/dbraw/zinc/40/35/82/609403582.db2.gz NZIPXJHNJIKTJK-WCQYABFASA-N -1 1 316.365 0.885 20 0 DCADMM CC[C@@H](C)n1nc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1C ZINC000825082105 609404135 /nfs/dbraw/zinc/40/41/35/609404135.db2.gz QHHYOZBFBIMMHD-SSDOTTSWSA-N -1 1 315.341 0.810 20 0 DCADMM CN1CCC[C@H](OC(=O)c2sccc2-c2nn[n-]n2)C1=O ZINC000826034035 609467106 /nfs/dbraw/zinc/46/71/06/609467106.db2.gz NQOQBEHMBNYQRU-QMMMGPOBSA-N -1 1 307.335 0.706 20 0 DCADMM O=C(NCC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826436344 609620623 /nfs/dbraw/zinc/62/06/23/609620623.db2.gz QKTLIJWPSIUAOB-LLVKDONJSA-N -1 1 302.338 0.951 20 0 DCADMM O=C(NCC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826436344 609620624 /nfs/dbraw/zinc/62/06/24/609620624.db2.gz QKTLIJWPSIUAOB-LLVKDONJSA-N -1 1 302.338 0.951 20 0 DCADMM O=C(N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)c1ncc[nH]1 ZINC000978738204 660594010 /nfs/dbraw/zinc/59/40/10/660594010.db2.gz CELJVJGJEAYIMX-AOOOYVTPSA-N -1 1 315.333 0.449 20 0 DCADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CC[C@H](O)C1 ZINC000872479823 663049608 /nfs/dbraw/zinc/04/96/08/663049608.db2.gz BGEZNUFBTDZREV-RAALSFIWSA-N -1 1 312.457 0.878 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)C=C2CCC2)CCO1 ZINC000979275427 660700567 /nfs/dbraw/zinc/70/05/67/660700567.db2.gz PTJIMBDZLRIERQ-JQWIXIFHSA-N -1 1 321.381 0.326 20 0 DCADMM Cc1ccoc1C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001027756150 660696512 /nfs/dbraw/zinc/69/65/12/660696512.db2.gz CTNGYONXEASFMH-LLVKDONJSA-N -1 1 319.365 0.404 20 0 DCADMM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21)[C@H]1CC12CC2 ZINC000979504158 660761682 /nfs/dbraw/zinc/76/16/82/660761682.db2.gz OVVRHLZHENJFTB-XZUYRWCXSA-N -1 1 313.357 0.774 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2[C@@H](C)C(=O)N(C)C)c1[O-] ZINC001027832227 660808554 /nfs/dbraw/zinc/80/85/54/660808554.db2.gz BIEJUHBBFPPUKF-QWRGUYRKSA-N -1 1 323.397 0.095 20 0 DCADMM C[C@H](C(=O)N(C)C)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001027844597 660829190 /nfs/dbraw/zinc/82/91/90/660829190.db2.gz VVTMCDYQJFSJKH-NEPJUHHUSA-N -1 1 320.393 0.458 20 0 DCADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1)C1CC1 ZINC000980493979 660949189 /nfs/dbraw/zinc/94/91/89/660949189.db2.gz KSCFIHPYPUZFMY-WCQYABFASA-N -1 1 321.425 0.577 20 0 DCADMM CCC(CC)(NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)[O-] ZINC000317120561 661015514 /nfs/dbraw/zinc/01/55/14/661015514.db2.gz ZGTWKEODDCNWCI-VXGBXAGGSA-N -1 1 313.398 0.792 20 0 DCADMM Cn1ncnc1CN1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000981026658 661067393 /nfs/dbraw/zinc/06/73/93/661067393.db2.gz IBHMWPDUMJSQKJ-UHFFFAOYSA-N -1 1 316.365 0.264 20 0 DCADMM CC(=O)N1CC2(C1)CCCN(Cc1cc(=O)n3[n-]ccc3n1)C2 ZINC000981558989 661172113 /nfs/dbraw/zinc/17/21/13/661172113.db2.gz DMVOTCQFLBOZSJ-UHFFFAOYSA-N -1 1 315.377 0.467 20 0 DCADMM Cn1[n-]c(CN2CCCC3(CN(C(=O)CC4CC4)C3)C2)nc1=O ZINC000981581027 661176436 /nfs/dbraw/zinc/17/64/36/661176436.db2.gz XDWWNXYBJBYPPS-UHFFFAOYSA-N -1 1 319.409 0.333 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)C3(C)CC=CC3)CC2)nc1=O ZINC000981878347 661241968 /nfs/dbraw/zinc/24/19/68/661241968.db2.gz RXOLWRADNJHGNS-UHFFFAOYSA-N -1 1 319.409 0.499 20 0 DCADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@]1(O)CCO[C@@H]1C ZINC000319031531 661289020 /nfs/dbraw/zinc/28/90/20/661289020.db2.gz GRCUAHNFGAOMPN-MEBBXXQBSA-N -1 1 309.366 0.884 20 0 DCADMM COc1ccc(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)o1 ZINC000998325276 665437419 /nfs/dbraw/zinc/43/74/19/665437419.db2.gz PFVUUZXQZSLLJT-UHFFFAOYSA-N -1 1 317.301 0.643 20 0 DCADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ccnnc1 ZINC000938965938 665454861 /nfs/dbraw/zinc/45/48/61/665454861.db2.gz CVYOIAYZZMOVLO-NSHDSACASA-N -1 1 313.317 0.222 20 0 DCADMM O=S(=O)(N=S1(=O)CCCC1)[N-]CCSCCCO ZINC000866844396 657476233 /nfs/dbraw/zinc/47/62/33/657476233.db2.gz PDFXWZROZOJFIS-UHFFFAOYSA-N -1 1 316.470 0.198 20 0 DCADMM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866845062 657480166 /nfs/dbraw/zinc/48/01/66/657480166.db2.gz BHURUUAESDQKPP-LLVKDONJSA-N -1 1 310.322 0.426 20 0 DCADMM C[C@@H](NC(=O)C1CCCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969193252 657548306 /nfs/dbraw/zinc/54/83/06/657548306.db2.gz WCMMUFRHQBPVFV-SNVBAGLBSA-N -1 1 307.398 0.235 20 0 DCADMM COCc1nc(N2CCN(c3cnccn3)CC2)cc(=O)[n-]1 ZINC000891731188 657694805 /nfs/dbraw/zinc/69/48/05/657694805.db2.gz JMJFLHLJIOTWBB-UHFFFAOYSA-N -1 1 302.338 0.445 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC(Cc2ccoc2)C1 ZINC000890571195 657696681 /nfs/dbraw/zinc/69/66/81/657696681.db2.gz SORVPSZWHVDQHM-UHFFFAOYSA-N -1 1 303.318 0.221 20 0 DCADMM Cn1cncc1CN1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001010726803 657741095 /nfs/dbraw/zinc/74/10/95/657741095.db2.gz NJPFBRJESVWHNM-NSHDSACASA-N -1 1 301.350 0.525 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001023488386 657921739 /nfs/dbraw/zinc/92/17/39/657921739.db2.gz FVXQJHUUCPQHCK-IRUJWGPZSA-N -1 1 319.361 0.135 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2cnn(C)n2)C1 ZINC000969543476 657970040 /nfs/dbraw/zinc/97/00/40/657970040.db2.gz OTXVMBBJYBLFTN-SNVBAGLBSA-N -1 1 316.365 0.166 20 0 DCADMM O=C(CC[C@@H]1CCOC1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998871954 665543950 /nfs/dbraw/zinc/54/39/50/665543950.db2.gz HLBLGBDNYJFZPU-NEPJUHHUSA-N -1 1 323.397 0.408 20 0 DCADMM COc1cnc([C@@H]2CCCN2CC(=O)N2CCCC2)[n-]c1=O ZINC000934274352 658266798 /nfs/dbraw/zinc/26/67/98/658266798.db2.gz SSGIDYABSUXYRK-NSHDSACASA-N -1 1 306.366 0.950 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000972110239 658310466 /nfs/dbraw/zinc/31/04/66/658310466.db2.gz UHZRQFVFMMTVGT-BLLLJJGKSA-N -1 1 319.409 0.497 20 0 DCADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000999049439 665567608 /nfs/dbraw/zinc/56/76/08/665567608.db2.gz XWQPZOOJHRXCOA-CIUDSAMLSA-N -1 1 315.324 0.492 20 0 DCADMM Cc1coc(C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)c1 ZINC000972133743 658344341 /nfs/dbraw/zinc/34/43/41/658344341.db2.gz FZQFEZXFACCBNC-NSHDSACASA-N -1 1 319.365 0.356 20 0 DCADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C(C)(C)F)C(C)(C)C2)nc1=O ZINC000972743862 658374390 /nfs/dbraw/zinc/37/43/90/658374390.db2.gz LQRXETXVROBEOY-SECBINFHSA-N -1 1 313.377 0.183 20 0 DCADMM O=C([C@@H]1C[C@H]1c1ccco1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970039232 658390295 /nfs/dbraw/zinc/39/02/95/658390295.db2.gz CAQCLFUPFMKONV-GMTAPVOTSA-N -1 1 317.349 0.598 20 0 DCADMM Cn1cccc1C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000939462790 665583966 /nfs/dbraw/zinc/58/39/66/665583966.db2.gz XSYXFCFZJXHTCQ-LLVKDONJSA-N -1 1 314.345 0.770 20 0 DCADMM CC(C)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[n-]2)C1 ZINC001020850600 658520873 /nfs/dbraw/zinc/52/08/73/658520873.db2.gz DMWDOOIICNLIRM-KKOKHZNYSA-N -1 1 307.398 0.137 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC000971353548 658523367 /nfs/dbraw/zinc/52/33/67/658523367.db2.gz CEMUMWFGBSTYCL-MNOVXSKESA-N -1 1 307.398 0.187 20 0 DCADMM Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC34CCC4)C2)nc1=O ZINC001022781967 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CC(C)C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573957966 1163604026 /nfs/dbraw/zinc/60/40/26/1163604026.db2.gz KVEAQRCPNKVHDI-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CC(C)C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573965913 1163609081 /nfs/dbraw/zinc/60/90/81/1163609081.db2.gz HMYCYMMUFHKMOK-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573965913 1163609087 /nfs/dbraw/zinc/60/90/87/1163609087.db2.gz HMYCYMMUFHKMOK-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM COC[C@@H](NC(=O)CC1CCC(C(=O)[O-])CC1)c1nn[nH]n1 ZINC001573967970 1163611810 /nfs/dbraw/zinc/61/18/10/1163611810.db2.gz AACXXNOYNMPZGG-UDNWOFFPSA-N -1 1 311.342 0.285 20 0 DCADMM CC(C)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573967475 1163611981 /nfs/dbraw/zinc/61/19/81/1163611981.db2.gz WDUGCCJBYJJYKT-NSHDSACASA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573967475 1163611989 /nfs/dbraw/zinc/61/19/89/1163611989.db2.gz WDUGCCJBYJJYKT-NSHDSACASA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@H](CNC(=O)C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574023322 1163626305 /nfs/dbraw/zinc/62/63/05/1163626305.db2.gz OFXXMPSGZFAYNR-JTQLQIEISA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)[C@H](CNC(=O)C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574023322 1163626312 /nfs/dbraw/zinc/62/63/12/1163626312.db2.gz OFXXMPSGZFAYNR-JTQLQIEISA-N -1 1 316.369 0.619 20 0 DCADMM COc1nc(CN2CCC(C(=O)NCC(=O)[O-])CC2)ccc1C ZINC001574055937 1163630166 /nfs/dbraw/zinc/63/01/66/1163630166.db2.gz YBTAHDFCNVZHAT-UHFFFAOYSA-N -1 1 321.377 0.811 20 0 DCADMM CSCc1n[nH]c(CNC(=O)[C@@H]2CSCN2C(=O)[O-])n1 ZINC001574096308 1163634356 /nfs/dbraw/zinc/63/43/56/1163634356.db2.gz GCTZHHCSKVEQIP-LURJTMIESA-N -1 1 317.396 0.337 20 0 DCADMM CSCc1nnc(CNC(=O)[C@@H]2CSCN2C(=O)[O-])[nH]1 ZINC001574096308 1163634363 /nfs/dbraw/zinc/63/43/63/1163634363.db2.gz GCTZHHCSKVEQIP-LURJTMIESA-N -1 1 317.396 0.337 20 0 DCADMM O=C([O-])C[C@H](NC(=O)CCCc1nn[nH]n1)c1ccc(F)cc1 ZINC001574358929 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1164240908 /nfs/dbraw/zinc/24/09/08/1164240908.db2.gz BGHLQLHGBXRTLD-NQMVMOMDSA-N -1 1 318.337 0.574 20 0 DCADMM CCC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576406503 1164329691 /nfs/dbraw/zinc/32/96/91/1164329691.db2.gz BOUHYDDHKYAMQL-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576406503 1164329697 /nfs/dbraw/zinc/32/96/97/1164329697.db2.gz BOUHYDDHKYAMQL-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N(C)C[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576409694 1164330517 /nfs/dbraw/zinc/33/05/17/1164330517.db2.gz HWQMRESRUMQNGD-SECBINFHSA-N -1 1 304.358 0.634 20 0 DCADMM CCC(=O)N(C)C[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576409694 1164330528 /nfs/dbraw/zinc/33/05/28/1164330528.db2.gz HWQMRESRUMQNGD-SECBINFHSA-N -1 1 304.358 0.634 20 0 DCADMM CCC(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576415536 1164334952 /nfs/dbraw/zinc/33/49/52/1164334952.db2.gz VZCOSUSUILMOCE-JTQLQIEISA-N -1 1 316.369 0.636 20 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DCADMM CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001576444421 1164348562 /nfs/dbraw/zinc/34/85/62/1164348562.db2.gz HBTADOZUDVANNT-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001576471157 1164353644 /nfs/dbraw/zinc/35/36/44/1164353644.db2.gz LOSCGGCMCIVTIO-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001576471157 1164353651 /nfs/dbraw/zinc/35/36/51/1164353651.db2.gz LOSCGGCMCIVTIO-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576475731 1164358601 /nfs/dbraw/zinc/35/86/01/1164358601.db2.gz IVJOHUOXGWOBAK-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576475731 1164358607 /nfs/dbraw/zinc/35/86/07/1164358607.db2.gz IVJOHUOXGWOBAK-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576486981 1164362346 /nfs/dbraw/zinc/36/23/46/1164362346.db2.gz IBRIYIMPYMPGTG-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCC(C)(C)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576531474 1164381371 /nfs/dbraw/zinc/38/13/71/1164381371.db2.gz FLINGPTZKCKNBU-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCC(C)(C)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576531474 1164381374 /nfs/dbraw/zinc/38/13/74/1164381374.db2.gz FLINGPTZKCKNBU-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCC(CC)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576718117 1164442793 /nfs/dbraw/zinc/44/27/93/1164442793.db2.gz LSHIYHSFMJCYTD-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCC(CC)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576718117 1164442797 /nfs/dbraw/zinc/44/27/97/1164442797.db2.gz LSHIYHSFMJCYTD-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](CNC(=O)C1CC1)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576790334 1164463030 /nfs/dbraw/zinc/46/30/30/1164463030.db2.gz ZWWQECBWDJWYFX-JTQLQIEISA-N -1 1 316.369 0.682 20 0 DCADMM CC[C@@H](CNC(=O)C1CC1)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576790334 1164463038 /nfs/dbraw/zinc/46/30/38/1164463038.db2.gz ZWWQECBWDJWYFX-JTQLQIEISA-N -1 1 316.369 0.682 20 0 DCADMM CC[C@@H](CNC(=O)CCCF)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576818126 1164481452 /nfs/dbraw/zinc/48/14/52/1164481452.db2.gz YLMONHREVPZJPY-VIFPVBQESA-N -1 1 322.348 0.135 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576927112 1164536036 /nfs/dbraw/zinc/53/60/36/1164536036.db2.gz LHJCRSRQZTZXRJ-SECBINFHSA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576927112 1164536046 /nfs/dbraw/zinc/53/60/46/1164536046.db2.gz LHJCRSRQZTZXRJ-SECBINFHSA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576966866 1164562539 /nfs/dbraw/zinc/56/25/39/1164562539.db2.gz YURWKQHVRALLST-RKDXNWHRSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576966866 1164562543 /nfs/dbraw/zinc/56/25/43/1164562543.db2.gz YURWKQHVRALLST-RKDXNWHRSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576966206 1164563385 /nfs/dbraw/zinc/56/33/85/1164563385.db2.gz PTFKOHFEYVXZQE-RKDXNWHRSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(C)(C)O ZINC001576973118 1164566747 /nfs/dbraw/zinc/56/67/47/1164566747.db2.gz DGGAMLHQCUPZSX-VIFPVBQESA-N -1 1 320.353 0.555 20 0 DCADMM CCC1(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001577086198 1164600274 /nfs/dbraw/zinc/60/02/74/1164600274.db2.gz CANKPRVXTBOQLJ-SECBINFHSA-N -1 1 316.369 0.185 20 0 DCADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001577174081 1164620868 /nfs/dbraw/zinc/62/08/68/1164620868.db2.gz WXBBOQQNNMKMNK-MNOVXSKESA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001577174081 1164620871 /nfs/dbraw/zinc/62/08/71/1164620871.db2.gz WXBBOQQNNMKMNK-MNOVXSKESA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001577187886 1164627156 /nfs/dbraw/zinc/62/71/56/1164627156.db2.gz NXSUCAOSRRQQMM-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001577187886 1164627159 /nfs/dbraw/zinc/62/71/59/1164627159.db2.gz NXSUCAOSRRQQMM-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001577187799 1164627612 /nfs/dbraw/zinc/62/76/12/1164627612.db2.gz LPLVOPDSXRCQAW-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001577187799 1164627615 /nfs/dbraw/zinc/62/76/15/1164627615.db2.gz LPLVOPDSXRCQAW-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577209854 1164634992 /nfs/dbraw/zinc/63/49/92/1164634992.db2.gz AMRGZSRFMPUBPN-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577209854 1164634994 /nfs/dbraw/zinc/63/49/94/1164634994.db2.gz AMRGZSRFMPUBPN-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577216123 1164638357 /nfs/dbraw/zinc/63/83/57/1164638357.db2.gz NOWBJCAZZTUDBF-UHFFFAOYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577216123 1164638361 /nfs/dbraw/zinc/63/83/61/1164638361.db2.gz NOWBJCAZZTUDBF-UHFFFAOYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001577216171 1164638992 /nfs/dbraw/zinc/63/89/92/1164638992.db2.gz OYAOPITYUSEGSP-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001577216171 1164639002 /nfs/dbraw/zinc/63/90/02/1164639002.db2.gz OYAOPITYUSEGSP-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577407848 1164686533 /nfs/dbraw/zinc/68/65/33/1164686533.db2.gz CPPWFLKSKTWCLR-NXEZZACHSA-N -1 1 318.385 0.574 20 0 DCADMM CCCCC(=O)NCCN(CC)c1nccnc1-c1nnn[n-]1 ZINC001577424595 1164690606 /nfs/dbraw/zinc/69/06/06/1164690606.db2.gz BWLYCGQNQHWEJU-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCCC(=O)NCCN(CC)c1nccnc1-c1nn[n-]n1 ZINC001577424595 1164690609 /nfs/dbraw/zinc/69/06/09/1164690609.db2.gz BWLYCGQNQHWEJU-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3c[nH]nn3)[C@H]2C)c1[O-] ZINC001577518207 1164711809 /nfs/dbraw/zinc/71/18/09/1164711809.db2.gz BPINYOHGKBYMTN-ONGXEEELSA-N -1 1 319.369 0.325 20 0 DCADMM CCN(CCNC(=O)CCCF)c1ccc(-c2nnn[n-]2)nn1 ZINC001577975649 1164870349 /nfs/dbraw/zinc/87/03/49/1164870349.db2.gz GBTZIPKMSDCOHM-UHFFFAOYSA-N -1 1 322.348 0.349 20 0 DCADMM CCN(CCNC(=O)CCCF)c1ccc(-c2nn[n-]n2)nn1 ZINC001577975649 1164870352 /nfs/dbraw/zinc/87/03/52/1164870352.db2.gz GBTZIPKMSDCOHM-UHFFFAOYSA-N -1 1 322.348 0.349 20 0 DCADMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)[C@H]1C[C@@H]1C ZINC001578141140 1164934379 /nfs/dbraw/zinc/93/43/79/1164934379.db2.gz FWKXGJWFBGHEIX-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)[C@H]1C[C@@H]1C ZINC001578141140 1164934387 /nfs/dbraw/zinc/93/43/87/1164934387.db2.gz FWKXGJWFBGHEIX-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM CC[N@H+](CCOC)Cc1cc(=O)n2[n-]cc(-c3nn[n-]n3)c2n1 ZINC001578170919 1164943477 /nfs/dbraw/zinc/94/34/77/1164943477.db2.gz GUPGARFBBNZLCP-UHFFFAOYSA-N -1 1 318.341 0.083 20 0 DCADMM CC[N@@H+](CCOC)Cc1cc(=O)n2[n-]cc(-c3nn[n-]n3)c2n1 ZINC001578170919 1164943484 /nfs/dbraw/zinc/94/34/84/1164943484.db2.gz GUPGARFBBNZLCP-UHFFFAOYSA-N -1 1 318.341 0.083 20 0 DCADMM CCc1nnc(C)cc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001578702176 1165088099 /nfs/dbraw/zinc/08/80/99/1165088099.db2.gz JOTIVBZDDACRNK-UHFFFAOYSA-N -1 1 324.348 0.853 20 0 DCADMM CCc1nnc(C)cc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001578702176 1165088105 /nfs/dbraw/zinc/08/81/05/1165088105.db2.gz JOTIVBZDDACRNK-UHFFFAOYSA-N -1 1 324.348 0.853 20 0 DCADMM CCc1noc(CCCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001578709987 1165089396 /nfs/dbraw/zinc/08/93/96/1165089396.db2.gz AHZRHZNUPSFRBZ-UHFFFAOYSA-N -1 1 317.313 0.497 20 0 DCADMM CCc1noc(CCCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001578709987 1165089398 /nfs/dbraw/zinc/08/93/98/1165089398.db2.gz AHZRHZNUPSFRBZ-UHFFFAOYSA-N -1 1 317.313 0.497 20 0 DCADMM CN(C(=O)CCc1cncnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578874528 1165147129 /nfs/dbraw/zinc/14/71/29/1165147129.db2.gz HOIWOLVAVXZFGC-UHFFFAOYSA-N -1 1 310.321 0.647 20 0 DCADMM CN(CCCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)C1CC1 ZINC001579112927 1165212489 /nfs/dbraw/zinc/21/24/89/1165212489.db2.gz UKQNPLHPSLYEDA-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)C1CC1 ZINC001579112927 1165212498 /nfs/dbraw/zinc/21/24/98/1165212498.db2.gz UKQNPLHPSLYEDA-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)C1CCC1 ZINC001579148398 1165223601 /nfs/dbraw/zinc/22/36/01/1165223601.db2.gz STPWHVYHUZODCT-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)c1ccco1 ZINC001579216653 1165240812 /nfs/dbraw/zinc/24/08/12/1165240812.db2.gz FAZXYFJDEBRRKK-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)c1ccco1 ZINC001579216653 1165240820 /nfs/dbraw/zinc/24/08/20/1165240820.db2.gz FAZXYFJDEBRRKK-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM COc1cccc([C@@H](N)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC001579263872 1165253147 /nfs/dbraw/zinc/25/31/47/1165253147.db2.gz XYHTVGXGLAMLIG-CQSZACIVSA-N -1 1 311.345 0.989 20 0 DCADMM COC(=O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)C[C@@H]1C ZINC001579466652 1165318873 /nfs/dbraw/zinc/31/88/73/1165318873.db2.gz GLAVNXXCUCLKHG-WCBMZHEXSA-N -1 1 317.353 0.601 20 0 DCADMM COC(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)C[C@@H]1C ZINC001579466652 1165318880 /nfs/dbraw/zinc/31/88/80/1165318880.db2.gz GLAVNXXCUCLKHG-WCBMZHEXSA-N -1 1 317.353 0.601 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001579467918 1165319794 /nfs/dbraw/zinc/31/97/94/1165319794.db2.gz MGLRGHQHCKRDCB-JGVFFNPUSA-N -1 1 319.325 0.046 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001579467918 1165319800 /nfs/dbraw/zinc/31/98/00/1165319800.db2.gz MGLRGHQHCKRDCB-JGVFFNPUSA-N -1 1 319.325 0.046 20 0 DCADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n(C)n1 ZINC001579483352 1165327894 /nfs/dbraw/zinc/32/78/94/1165327894.db2.gz DFNMTTGHJIZPMM-UHFFFAOYSA-N -1 1 317.265 0.232 20 0 DCADMM COCC(=O)NCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001579641364 1165370745 /nfs/dbraw/zinc/37/07/45/1165370745.db2.gz PFVUNNQWNAHPPB-UHFFFAOYSA-N -1 1 317.762 0.151 20 0 DCADMM COCC(=O)NCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001579641364 1165370750 /nfs/dbraw/zinc/37/07/50/1165370750.db2.gz PFVUNNQWNAHPPB-UHFFFAOYSA-N -1 1 317.762 0.151 20 0 DCADMM COc1cc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)ccc1C ZINC001579929321 1165440059 /nfs/dbraw/zinc/44/00/59/1165440059.db2.gz DVQIFDWBNDNESR-UHFFFAOYSA-N -1 1 314.305 0.494 20 0 DCADMM COc1ncc(NC(=O)Cc2cscn2)cc1-c1nn[n-]n1 ZINC001580135112 1165513502 /nfs/dbraw/zinc/51/35/02/1165513502.db2.gz UZOXUINDWDQMSW-UHFFFAOYSA-N -1 1 317.334 0.908 20 0 DCADMM C[S@](=O)c1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001580172915 1165528685 /nfs/dbraw/zinc/52/86/85/1165528685.db2.gz RCVQRNUHDVMCAX-QFIPXVFZSA-N -1 1 317.334 0.580 20 0 DCADMM C[S@](=O)c1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001580172915 1165528690 /nfs/dbraw/zinc/52/86/90/1165528690.db2.gz RCVQRNUHDVMCAX-QFIPXVFZSA-N -1 1 317.334 0.580 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)Nc2cnoc2)cc1-c1nn[n-]n1 ZINC001580229766 1165543257 /nfs/dbraw/zinc/54/32/57/1165543257.db2.gz BRJAERUHQMCICT-UHFFFAOYSA-N -1 1 319.306 0.930 20 0 DCADMM C[C@@H](NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O)c1ccccc1 ZINC001580307092 1165566372 /nfs/dbraw/zinc/56/63/72/1165566372.db2.gz HUNNZTRSJRGBDE-LLVKDONJSA-N -1 1 324.344 0.906 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C1CC1 ZINC001580363123 1165585556 /nfs/dbraw/zinc/58/55/56/1165585556.db2.gz COJIMWFPISALNR-PSASIEDQSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C1CC1 ZINC001580363123 1165585559 /nfs/dbraw/zinc/58/55/59/1165585559.db2.gz COJIMWFPISALNR-PSASIEDQSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001580370095 1165587563 /nfs/dbraw/zinc/58/75/63/1165587563.db2.gz WFHBVYKKNHWFOD-KXUCPTDWSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@]1(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CCC(=O)N1 ZINC001580392496 1165592841 /nfs/dbraw/zinc/59/28/41/1165592841.db2.gz UGEBJNUNHJMKDW-ZDUSSCGKSA-N -1 1 316.325 0.074 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCCF ZINC001580429785 1165600965 /nfs/dbraw/zinc/60/09/65/1165600965.db2.gz SDBWBCCFKCOLIK-MRVPVSSYSA-N -1 1 308.321 0.323 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCCF ZINC001580429785 1165600972 /nfs/dbraw/zinc/60/09/72/1165600972.db2.gz SDBWBCCFKCOLIK-MRVPVSSYSA-N -1 1 308.321 0.323 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC1(CO)CCC1 ZINC001580601426 1165651809 /nfs/dbraw/zinc/65/18/09/1165651809.db2.gz ABFOYXWODDRYCP-UHFFFAOYSA-N -1 1 318.337 0.168 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](CO)C1CCC1 ZINC001580604228 1165652627 /nfs/dbraw/zinc/65/26/27/1165652627.db2.gz ZXXKMECZFFRGNI-JTQLQIEISA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)[C@H]2C[C@H]2C)n1 ZINC001580639604 1165670746 /nfs/dbraw/zinc/67/07/46/1165670746.db2.gz JXZZFOWMOUIYLK-SCZZXKLOSA-N -1 1 316.369 0.174 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)[C@H]2C[C@H]2C)n1 ZINC001580639604 1165670753 /nfs/dbraw/zinc/67/07/53/1165670753.db2.gz JXZZFOWMOUIYLK-SCZZXKLOSA-N -1 1 316.369 0.174 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)C(C)(C)C)n1 ZINC001580695961 1165689596 /nfs/dbraw/zinc/68/95/96/1165689596.db2.gz SJGLLYBNKRZKDD-SECBINFHSA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)C(C)(C)C)n1 ZINC001580695961 1165689599 /nfs/dbraw/zinc/68/95/99/1165689599.db2.gz SJGLLYBNKRZKDD-SECBINFHSA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)CC(C)C)n1 ZINC001580694804 1165690005 /nfs/dbraw/zinc/69/00/05/1165690005.db2.gz FIHCPFJOTAKZLJ-SNVBAGLBSA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)CC(C)C)n1 ZINC001580694804 1165690007 /nfs/dbraw/zinc/69/00/07/1165690007.db2.gz FIHCPFJOTAKZLJ-SNVBAGLBSA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)N(C)C(=O)C(C)C)n1 ZINC001580719562 1165697590 /nfs/dbraw/zinc/69/75/90/1165697590.db2.gz GELBEMJYYIYPJG-SNVBAGLBSA-N -1 1 318.385 0.880 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)N(C)C(=O)C(C)C)n1 ZINC001580719562 1165697593 /nfs/dbraw/zinc/69/75/93/1165697593.db2.gz GELBEMJYYIYPJG-SNVBAGLBSA-N -1 1 318.385 0.880 20 0 DCADMM Cc1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccn1 ZINC001580925659 1165759183 /nfs/dbraw/zinc/75/91/83/1165759183.db2.gz NBGXFIWFHCQUOL-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccn1 ZINC001580925659 1165759189 /nfs/dbraw/zinc/75/91/89/1165759189.db2.gz NBGXFIWFHCQUOL-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1onc(CC(=O)Nc2cc(C)cc(=O)[nH]2)c1-c1nnn[n-]1 ZINC001580980900 1165768090 /nfs/dbraw/zinc/76/80/90/1165768090.db2.gz WUTKVAXJBHLIMX-UHFFFAOYSA-N -1 1 315.293 0.753 20 0 DCADMM Cc1onc(CC(=O)Nc2cc(C)cc(=O)[nH]2)c1-c1nn[n-]n1 ZINC001580980900 1165768099 /nfs/dbraw/zinc/76/80/99/1165768099.db2.gz WUTKVAXJBHLIMX-UHFFFAOYSA-N -1 1 315.293 0.753 20 0 DCADMM Cc1cccc(OCCn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)c1 ZINC001581246769 1165805408 /nfs/dbraw/zinc/80/54/08/1165805408.db2.gz IHSRZUAUVYMGIS-UHFFFAOYSA-N -1 1 314.305 0.516 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cc3ncccn3n2)c1-c1nnn[n-]1 ZINC001581593682 1165847694 /nfs/dbraw/zinc/84/76/94/1165847694.db2.gz NZMQLCOLWUDHNW-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cc3ncccn3n2)c1-c1nn[n-]n1 ZINC001581593682 1165847700 /nfs/dbraw/zinc/84/77/00/1165847700.db2.gz NZMQLCOLWUDHNW-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)o1 ZINC001581605354 1165849371 /nfs/dbraw/zinc/84/93/71/1165849371.db2.gz AHMGWIFETSTYQW-RXMQYKEDSA-N -1 1 318.301 0.174 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)o1 ZINC001581605354 1165849380 /nfs/dbraw/zinc/84/93/80/1165849380.db2.gz AHMGWIFETSTYQW-RXMQYKEDSA-N -1 1 318.301 0.174 20 0 DCADMM Cc1nnc(CCNC(=O)c2csc(-c3nn[n-]n3)c2)n1C ZINC001581609178 1165850178 /nfs/dbraw/zinc/85/01/78/1165850178.db2.gz AXIGBGBYYLXOQY-UHFFFAOYSA-N -1 1 318.366 0.338 20 0 DCADMM Cc1nnc2n1CCN(C(=O)c1coc(-c3nnn[n-]3)c1)[C@H]2C ZINC001581611983 1165850849 /nfs/dbraw/zinc/85/08/49/1165850849.db2.gz IGCRHTCBMBVCHE-ZETCQYMHSA-N -1 1 314.309 0.577 20 0 DCADMM Cc1nnc2n1CCN(C(=O)c1coc(-c3nn[n-]n3)c1)[C@H]2C ZINC001581611983 1165850859 /nfs/dbraw/zinc/85/08/59/1165850859.db2.gz IGCRHTCBMBVCHE-ZETCQYMHSA-N -1 1 314.309 0.577 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)o1 ZINC001581605355 1165851089 /nfs/dbraw/zinc/85/10/89/1165851089.db2.gz AHMGWIFETSTYQW-YFKPBYRVSA-N -1 1 318.301 0.174 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)o1 ZINC001581605355 1165851098 /nfs/dbraw/zinc/85/10/98/1165851098.db2.gz AHMGWIFETSTYQW-YFKPBYRVSA-N -1 1 318.301 0.174 20 0 DCADMM Cc1nnc(N2CCOCC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001581612064 1165851770 /nfs/dbraw/zinc/85/17/70/1165851770.db2.gz HVNXVOQTOYVJQF-UHFFFAOYSA-N -1 1 316.325 0.245 20 0 DCADMM Cc1nnc(N2CCOCC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001581612064 1165851776 /nfs/dbraw/zinc/85/17/76/1165851776.db2.gz HVNXVOQTOYVJQF-UHFFFAOYSA-N -1 1 316.325 0.245 20 0 DCADMM Cc1nsc(NC(=O)N[C@]2(C)CCOC2=O)c1-c1nnn[n-]1 ZINC001581685756 1165859074 /nfs/dbraw/zinc/85/90/74/1165859074.db2.gz RLDRGUKHUDGTAB-LLVKDONJSA-N -1 1 323.338 0.459 20 0 DCADMM Cc1nsc(NC(=O)N[C@]2(C)CCOC2=O)c1-c1nn[n-]n1 ZINC001581685756 1165859079 /nfs/dbraw/zinc/85/90/79/1165859079.db2.gz RLDRGUKHUDGTAB-LLVKDONJSA-N -1 1 323.338 0.459 20 0 DCADMM Cc1nsc(NC(=O)c2cccn(C)c2=O)c1-c1nn[n-]n1 ZINC001581686627 1165859772 /nfs/dbraw/zinc/85/97/72/1165859772.db2.gz HZEHYQOIEGEKOH-UHFFFAOYSA-N -1 1 317.334 0.583 20 0 DCADMM Cc1nsc(NC(=O)NCc2ncn(C)n2)c1-c1nnn[n-]1 ZINC001581686508 1165859964 /nfs/dbraw/zinc/85/99/64/1165859964.db2.gz DBDDTAQRUCCSOU-UHFFFAOYSA-N -1 1 320.342 0.082 20 0 DCADMM Cc1nsc(NC(=O)NCc2ncn(C)n2)c1-c1nn[n-]n1 ZINC001581686508 1165859969 /nfs/dbraw/zinc/85/99/69/1165859969.db2.gz DBDDTAQRUCCSOU-UHFFFAOYSA-N -1 1 320.342 0.082 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC001581738840 1165861214 /nfs/dbraw/zinc/86/12/14/1165861214.db2.gz DCOJXNKRVCLYEC-HTQZYQBOSA-N -1 1 318.337 0.389 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC001581738840 1165861224 /nfs/dbraw/zinc/86/12/24/1165861224.db2.gz DCOJXNKRVCLYEC-HTQZYQBOSA-N -1 1 318.337 0.389 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)Cc1cnn(C)c1 ZINC001581726964 1165861513 /nfs/dbraw/zinc/86/15/13/1165861513.db2.gz CKDBPMMQRKLKII-QMMMGPOBSA-N -1 1 315.337 0.863 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)Cc1cnn(C)c1 ZINC001581726964 1165861517 /nfs/dbraw/zinc/86/15/17/1165861517.db2.gz CKDBPMMQRKLKII-QMMMGPOBSA-N -1 1 315.337 0.863 20 0 DCADMM Clc1ccc(N2CCO[C@@H]3COCC[C@@H]32)nc1-c1nnn[n-]1 ZINC001581746154 1165863682 /nfs/dbraw/zinc/86/36/82/1165863682.db2.gz LRCMRLDATIHPQP-VHSXEESVSA-N -1 1 322.756 0.909 20 0 DCADMM Clc1ccc(N2CCO[C@@H]3COCC[C@@H]32)nc1-c1nn[n-]n1 ZINC001581746154 1165863691 /nfs/dbraw/zinc/86/36/91/1165863691.db2.gz LRCMRLDATIHPQP-VHSXEESVSA-N -1 1 322.756 0.909 20 0 DCADMM NC(=O)[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)o1)C2 ZINC001581903143 1165907633 /nfs/dbraw/zinc/90/76/33/1165907633.db2.gz QEFBUFBNLRLFDL-RTHLEPHNSA-N -1 1 316.321 0.187 20 0 DCADMM NC(=O)[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)o1)C2 ZINC001581903143 1165907640 /nfs/dbraw/zinc/90/76/40/1165907640.db2.gz QEFBUFBNLRLFDL-RTHLEPHNSA-N -1 1 316.321 0.187 20 0 DCADMM NC(=O)c1csc(CNCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001581905866 1165909392 /nfs/dbraw/zinc/90/93/92/1165909392.db2.gz DRRIHDISBDDSPM-UHFFFAOYSA-N -1 1 321.391 0.773 20 0 DCADMM NC(=O)c1csc(CNCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001581905866 1165909393 /nfs/dbraw/zinc/90/93/93/1165909393.db2.gz DRRIHDISBDDSPM-UHFFFAOYSA-N -1 1 321.391 0.773 20 0 DCADMM NS(=O)(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001581908283 1165909798 /nfs/dbraw/zinc/90/97/98/1165909798.db2.gz BGOGKYXCHUAJNV-UHFFFAOYSA-N -1 1 321.318 0.686 20 0 DCADMM NS(=O)(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001581908283 1165909804 /nfs/dbraw/zinc/90/98/04/1165909804.db2.gz BGOGKYXCHUAJNV-UHFFFAOYSA-N -1 1 321.318 0.686 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@@H]1Cc2ccccc2O1 ZINC001581908973 1165909815 /nfs/dbraw/zinc/90/98/15/1165909815.db2.gz KJLZJSHXFLGLJV-VIFPVBQESA-N -1 1 311.305 0.679 20 0 DCADMM O=C(CC1CC1)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001581969987 1165926708 /nfs/dbraw/zinc/92/67/08/1165926708.db2.gz JMIDZDPZMRUXSS-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(CC1CC1)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001581969987 1165926719 /nfs/dbraw/zinc/92/67/19/1165926719.db2.gz JMIDZDPZMRUXSS-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]2COC[C@@H]21 ZINC001582137560 1165965851 /nfs/dbraw/zinc/96/58/51/1165965851.db2.gz AYBIFAYNVSZKFC-YPMHNXCESA-N -1 1 314.349 0.442 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]2COC[C@@H]21 ZINC001582137560 1165965858 /nfs/dbraw/zinc/96/58/58/1165965858.db2.gz AYBIFAYNVSZKFC-YPMHNXCESA-N -1 1 314.349 0.442 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nn1cnc2ccccc21 ZINC001582139364 1165967205 /nfs/dbraw/zinc/96/72/05/1165967205.db2.gz VIDJLYDDUFEKGA-UHFFFAOYSA-N -1 1 320.316 0.924 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nn1cnc2ccccc21 ZINC001582139364 1165967210 /nfs/dbraw/zinc/96/72/10/1165967210.db2.gz VIDJLYDDUFEKGA-UHFFFAOYSA-N -1 1 320.316 0.924 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)c1ccnc(C(F)(F)F)c1 ZINC001582188200 1165978294 /nfs/dbraw/zinc/97/82/94/1165978294.db2.gz IHARIMNRFSQKRM-UHFFFAOYSA-N -1 1 324.226 0.755 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)N1CCc2ccccc21 ZINC001582198388 1165982580 /nfs/dbraw/zinc/98/25/80/1165982580.db2.gz ZAXWXBOOPQPCJN-UHFFFAOYSA-N -1 1 323.316 0.013 20 0 DCADMM O=C(N[C@H](CO)C1CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001582233212 1165987907 /nfs/dbraw/zinc/98/79/07/1165987907.db2.gz ZUSSANIUAGWEHO-SNVBAGLBSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1csc(-c2nn[n-]n2)c1 ZINC001582233115 1165988044 /nfs/dbraw/zinc/98/80/44/1165988044.db2.gz SLMTYOFHSYNGRN-SNVBAGLBSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@H]1C[C@@H]1c1ccccc1 ZINC001582528705 1166032190 /nfs/dbraw/zinc/03/21/90/1166032190.db2.gz JFWLESPMICRXPT-NEPJUHHUSA-N -1 1 324.348 0.378 20 0 DCADMM O=C(NCc1c[nH]c(=O)[nH]1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582542944 1166035283 /nfs/dbraw/zinc/03/52/83/1166035283.db2.gz RTHBHJFFEUCQDI-UHFFFAOYSA-N -1 1 321.247 0.504 20 0 DCADMM O=C(NCc1c[nH]c(=O)[nH]1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582542944 1166035292 /nfs/dbraw/zinc/03/52/92/1166035292.db2.gz RTHBHJFFEUCQDI-UHFFFAOYSA-N -1 1 321.247 0.504 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cnn(CCO)c1 ZINC001582551547 1166038686 /nfs/dbraw/zinc/03/86/86/1166038686.db2.gz PCQUKONEXXTIEO-UHFFFAOYSA-N -1 1 319.350 0.047 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NCc1ccncc1 ZINC001582556503 1166042278 /nfs/dbraw/zinc/04/22/78/1166042278.db2.gz CGAYZWVLANEQFF-UHFFFAOYSA-N -1 1 316.350 0.718 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NCc1ccncc1 ZINC001582556503 1166042284 /nfs/dbraw/zinc/04/22/84/1166042284.db2.gz CGAYZWVLANEQFF-UHFFFAOYSA-N -1 1 316.350 0.718 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cc(F)c[nH]c1=O ZINC001582559096 1166044237 /nfs/dbraw/zinc/04/42/37/1166044237.db2.gz PLKOWBFHZBJTRD-UHFFFAOYSA-N -1 1 321.297 0.493 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cc(F)c[nH]c1=O ZINC001582559096 1166044238 /nfs/dbraw/zinc/04/42/38/1166044238.db2.gz PLKOWBFHZBJTRD-UHFFFAOYSA-N -1 1 321.297 0.493 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001582559327 1166044413 /nfs/dbraw/zinc/04/44/13/1166044413.db2.gz QXWASNQTNFLXLW-LKEWCRSYSA-N -1 1 321.366 0.442 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001582559327 1166044426 /nfs/dbraw/zinc/04/44/26/1166044426.db2.gz QXWASNQTNFLXLW-LKEWCRSYSA-N -1 1 321.366 0.442 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1noc2c1CCCC2 ZINC001582650605 1166061499 /nfs/dbraw/zinc/06/14/99/1166061499.db2.gz XHYMTDQASXYYSQ-UHFFFAOYSA-N -1 1 300.282 0.709 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1Cc2c[nH]nc2C1 ZINC001582800009 1166083411 /nfs/dbraw/zinc/08/34/11/1166083411.db2.gz QHIOESTZXGLLMO-UHFFFAOYSA-N -1 1 323.363 0.356 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1Cc2c[nH]nc2C1 ZINC001582800009 1166083416 /nfs/dbraw/zinc/08/34/16/1166083416.db2.gz QHIOESTZXGLLMO-UHFFFAOYSA-N -1 1 323.363 0.356 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1cccnc1C(F)(F)F ZINC001582806862 1166086967 /nfs/dbraw/zinc/08/69/67/1166086967.db2.gz WMOPLDYGGGDFNG-UHFFFAOYSA-N -1 1 323.238 0.886 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001582807197 1166087573 /nfs/dbraw/zinc/08/75/73/1166087573.db2.gz RJLNGCNNWUGAJS-QMTHXVAHSA-N -1 1 318.337 0.152 20 0 DCADMM O=c1cc(CNc2nccnc2-c2nnn[n-]2)nc(C2CC2)[nH]1 ZINC001582807325 1166088560 /nfs/dbraw/zinc/08/85/60/1166088560.db2.gz VUTCUHZKFXPOCU-UHFFFAOYSA-N -1 1 311.309 0.642 20 0 DCADMM O=c1cc(CNc2nccnc2-c2nn[n-]n2)nc(C2CC2)[nH]1 ZINC001582807325 1166088564 /nfs/dbraw/zinc/08/85/64/1166088564.db2.gz VUTCUHZKFXPOCU-UHFFFAOYSA-N -1 1 311.309 0.642 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1ccc2c(c1)OCCO2 ZINC001582807185 1166089369 /nfs/dbraw/zinc/08/93/69/1166089369.db2.gz RBDBDDPLQRNGOY-UHFFFAOYSA-N -1 1 312.289 0.243 20 0 DCADMM CC/C(C)=C/C(=O)NC[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001582997058 1166165532 /nfs/dbraw/zinc/16/55/32/1166165532.db2.gz XMJUAUCGCBJGQA-PFEDMVJOSA-N -1 1 307.350 0.350 20 0 DCADMM COCCCCC(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001584049280 1166302335 /nfs/dbraw/zinc/30/23/35/1166302335.db2.gz AXIVMLSSCJNOGI-NSHDSACASA-N -1 1 309.366 0.838 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)/C=C\c3nccs3)nc2n1 ZINC001584142275 1166311875 /nfs/dbraw/zinc/31/18/75/1166311875.db2.gz OEJNRKSAXMUHND-IHWYPQMZSA-N -1 1 302.319 0.834 20 0 DCADMM CN(C(=O)c1cn(-c2cccc(Cl)c2F)nn1)c1nn[n-]n1 ZINC001586262065 1166489723 /nfs/dbraw/zinc/48/97/23/1166489723.db2.gz DJHOKPVDXZNENZ-UHFFFAOYSA-N -1 1 322.691 0.850 20 0 DCADMM O=C(C(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001586806357 1166499715 /nfs/dbraw/zinc/49/97/15/1166499715.db2.gz UVAFUXCLVSCBQZ-JTQLQIEISA-N -1 1 321.724 0.636 20 0 DCADMM CC(=O)N(C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588800572 1166592573 /nfs/dbraw/zinc/59/25/73/1166592573.db2.gz QDMXIRONFXRPBY-UHFFFAOYSA-N -1 1 301.763 0.867 20 0 DCADMM CC(=O)N(C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588800572 1166592576 /nfs/dbraw/zinc/59/25/76/1166592576.db2.gz QDMXIRONFXRPBY-UHFFFAOYSA-N -1 1 301.763 0.867 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001588811584 1166593890 /nfs/dbraw/zinc/59/38/90/1166593890.db2.gz DRDHZINMNIYBTN-PSASIEDQSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001588811584 1166593894 /nfs/dbraw/zinc/59/38/94/1166593894.db2.gz DRDHZINMNIYBTN-PSASIEDQSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001588811063 1166595188 /nfs/dbraw/zinc/59/51/88/1166595188.db2.gz XRYCSDBGMHRYJG-SECBINFHSA-N -1 1 320.378 0.526 20 0 DCADMM CC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001588811063 1166595196 /nfs/dbraw/zinc/59/51/96/1166595196.db2.gz XRYCSDBGMHRYJG-SECBINFHSA-N -1 1 320.378 0.526 20 0 DCADMM CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001588818198 1166598034 /nfs/dbraw/zinc/59/80/34/1166598034.db2.gz CZKKTCVBCHRBET-GXSJLCMTSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001588818198 1166598042 /nfs/dbraw/zinc/59/80/42/1166598042.db2.gz CZKKTCVBCHRBET-GXSJLCMTSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588818609 1166598692 /nfs/dbraw/zinc/59/86/92/1166598692.db2.gz LSDNDEHFCCVMAW-NSHDSACASA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588818609 1166598696 /nfs/dbraw/zinc/59/86/96/1166598696.db2.gz LSDNDEHFCCVMAW-NSHDSACASA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)NCC1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001588854745 1166608166 /nfs/dbraw/zinc/60/81/66/1166608166.db2.gz JUXIKXKEJLWZPY-UHFFFAOYSA-N -1 1 307.383 0.958 20 0 DCADMM C[C@@H](C(=O)N[C@@]1(C)CC=CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970030 1166623193 /nfs/dbraw/zinc/62/31/93/1166623193.db2.gz AHUATPUKCZUWEA-ZANVPECISA-N -1 1 302.342 0.634 20 0 DCADMM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)N1CCSCC1 ZINC001589031157 1166631092 /nfs/dbraw/zinc/63/10/92/1166631092.db2.gz TXWQHGHOBVIRJH-SECBINFHSA-N -1 1 323.378 0.940 20 0 DCADMM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)N1CCSCC1 ZINC001589031157 1166631094 /nfs/dbraw/zinc/63/10/94/1166631094.db2.gz TXWQHGHOBVIRJH-SECBINFHSA-N -1 1 323.378 0.940 20 0 DCADMM CC(C)(C)N1C[C@H](Nc2ncncc2-c2nn[n-]n2)CC1=O ZINC001589135012 1166637697 /nfs/dbraw/zinc/63/76/97/1166637697.db2.gz RDUWZQLUYBMNLC-MRVPVSSYSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(CNc1ncncc1-c1nn[n-]n1)CS(C)(=O)=O ZINC001589292381 1166644463 /nfs/dbraw/zinc/64/44/63/1166644463.db2.gz LRDSDMDUNFRCOA-UHFFFAOYSA-N -1 1 311.371 0.139 20 0 DCADMM CC(C)(NC(=O)c1coc(-c2nnn[n-]2)c1)[C@H](O)C(F)(F)F ZINC001589321985 1166648686 /nfs/dbraw/zinc/64/86/86/1166648686.db2.gz KZYZDDOSPUWPFI-VIFPVBQESA-N -1 1 319.243 0.891 20 0 DCADMM CC(C)(NC(=O)c1coc(-c2nn[n-]n2)c1)[C@H](O)C(F)(F)F ZINC001589321985 1166648692 /nfs/dbraw/zinc/64/86/92/1166648692.db2.gz KZYZDDOSPUWPFI-VIFPVBQESA-N -1 1 319.243 0.891 20 0 DCADMM CC(C)=CC(=O)NCC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589368266 1166651841 /nfs/dbraw/zinc/65/18/41/1166651841.db2.gz UDIUDKANCIRCOR-SNVBAGLBSA-N -1 1 316.369 0.930 20 0 DCADMM CC(C)=CC(=O)NCC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589368266 1166651842 /nfs/dbraw/zinc/65/18/42/1166651842.db2.gz UDIUDKANCIRCOR-SNVBAGLBSA-N -1 1 316.369 0.930 20 0 DCADMM CC(C)CC(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001589536462 1166665040 /nfs/dbraw/zinc/66/50/40/1166665040.db2.gz WTIHFXDJRQJGSH-UHFFFAOYSA-N -1 1 304.358 0.255 20 0 DCADMM CC(C)C[C@H]1C(=O)NCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001589572591 1166667164 /nfs/dbraw/zinc/66/71/64/1166667164.db2.gz QPRDMTSWNGFQNF-JTQLQIEISA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)C[C@H]1C(=O)NCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001589572591 1166667168 /nfs/dbraw/zinc/66/71/68/1166667168.db2.gz QPRDMTSWNGFQNF-JTQLQIEISA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)CC[C@H](C)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589588458 1166667420 /nfs/dbraw/zinc/66/74/20/1166667420.db2.gz UTQXPSLUGDCOQQ-JTQLQIEISA-N -1 1 321.389 0.582 20 0 DCADMM CC(C)NC(=O)[C@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589721216 1166676656 /nfs/dbraw/zinc/67/66/56/1166676656.db2.gz TXXCBGJEKQDAQX-QMMMGPOBSA-N -1 1 304.310 0.332 20 0 DCADMM CC(C)NC(=O)[C@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589721216 1166676663 /nfs/dbraw/zinc/67/66/63/1166676663.db2.gz TXXCBGJEKQDAQX-QMMMGPOBSA-N -1 1 304.310 0.332 20 0 DCADMM CC(C)NC(=O)NCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589724316 1166679507 /nfs/dbraw/zinc/67/95/07/1166679507.db2.gz IZNLYRGLCLXECE-UHFFFAOYSA-N -1 1 319.325 0.126 20 0 DCADMM CC(C)NC(=O)NCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589724316 1166679514 /nfs/dbraw/zinc/67/95/14/1166679514.db2.gz IZNLYRGLCLXECE-UHFFFAOYSA-N -1 1 319.325 0.126 20 0 DCADMM CC(C)O[C@]1(CNc2ncncc2-c2nn[n-]n2)CCOC1 ZINC001589737406 1166681861 /nfs/dbraw/zinc/68/18/61/1166681861.db2.gz LXOHUBWDMFDTQH-ZDUSSCGKSA-N -1 1 305.342 0.653 20 0 DCADMM CC(C)n1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)nn1 ZINC001589782621 1166684815 /nfs/dbraw/zinc/68/48/15/1166684815.db2.gz RMQISXIFDXXJRI-UHFFFAOYSA-N -1 1 314.309 0.791 20 0 DCADMM CC(C)n1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)nn1 ZINC001589782621 1166684822 /nfs/dbraw/zinc/68/48/22/1166684822.db2.gz RMQISXIFDXXJRI-UHFFFAOYSA-N -1 1 314.309 0.791 20 0 DCADMM CC(C)c1coc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC001589773746 1166685264 /nfs/dbraw/zinc/68/52/64/1166685264.db2.gz PAEGSYOTMNFIGV-UHFFFAOYSA-N -1 1 303.286 0.208 20 0 DCADMM CC(C)n1ccnc1C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001589783448 1166685340 /nfs/dbraw/zinc/68/53/40/1166685340.db2.gz SIPYHGIJYVNCOC-UHFFFAOYSA-N -1 1 313.321 0.689 20 0 DCADMM CC(C)n1cc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001589781697 1166685409 /nfs/dbraw/zinc/68/54/09/1166685409.db2.gz CBJJHCVENUPBBF-UHFFFAOYSA-N -1 1 320.338 0.853 20 0 DCADMM CC(C)n1cc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001589781697 1166685413 /nfs/dbraw/zinc/68/54/13/1166685413.db2.gz CBJJHCVENUPBBF-UHFFFAOYSA-N -1 1 320.338 0.853 20 0 DCADMM CC(C)n1cc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)nn1 ZINC001589781761 1166686523 /nfs/dbraw/zinc/68/65/23/1166686523.db2.gz GKICBLYVAAZGMF-UHFFFAOYSA-N -1 1 313.325 0.364 20 0 DCADMM CC(C)n1cc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)nn1 ZINC001589781761 1166686527 /nfs/dbraw/zinc/68/65/27/1166686527.db2.gz GKICBLYVAAZGMF-UHFFFAOYSA-N -1 1 313.325 0.364 20 0 DCADMM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589802691 1166691273 /nfs/dbraw/zinc/69/12/73/1166691273.db2.gz HXERQLQRWQJDBJ-DTWKUNHWSA-N -1 1 301.310 0.596 20 0 DCADMM C[C@H](CCNC(=O)C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001589822673 1166692867 /nfs/dbraw/zinc/69/28/67/1166692867.db2.gz MMXMEIUHQKXUFU-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CCNC(=O)C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001589822673 1166692870 /nfs/dbraw/zinc/69/28/70/1166692870.db2.gz MMXMEIUHQKXUFU-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CCCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CC1 ZINC001589815400 1166693476 /nfs/dbraw/zinc/69/34/76/1166693476.db2.gz SOHLLNFRPBKQTQ-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM C[C@H](CO)N(CC1CCC1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589881725 1166706698 /nfs/dbraw/zinc/70/66/98/1166706698.db2.gz CGQKDGIPFCVZDA-SNVBAGLBSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H](CO)N(CC1CCC1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589881725 1166706704 /nfs/dbraw/zinc/70/67/04/1166706704.db2.gz CGQKDGIPFCVZDA-SNVBAGLBSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H](CO)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589885517 1166707483 /nfs/dbraw/zinc/70/74/83/1166707483.db2.gz ATCFFIYOWWJRJC-ZWNOBZJWSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H](CO)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589885517 1166707487 /nfs/dbraw/zinc/70/74/87/1166707487.db2.gz ATCFFIYOWWJRJC-ZWNOBZJWSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H](CO)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589885516 1166708630 /nfs/dbraw/zinc/70/86/30/1166708630.db2.gz ATCFFIYOWWJRJC-MFKMUULPSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H](CO)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589885516 1166708635 /nfs/dbraw/zinc/70/86/35/1166708635.db2.gz ATCFFIYOWWJRJC-MFKMUULPSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H](CO)C1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001589887605 1166709650 /nfs/dbraw/zinc/70/96/50/1166709650.db2.gz UJSUMTALHPMXHH-SECBINFHSA-N -1 1 305.338 0.940 20 0 DCADMM C[C@H](CO)C1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001589887605 1166709655 /nfs/dbraw/zinc/70/96/55/1166709655.db2.gz UJSUMTALHPMXHH-SECBINFHSA-N -1 1 305.338 0.940 20 0 DCADMM C[C@H](C(=O)N[C@@H](C)c1ccccn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589918411 1166717608 /nfs/dbraw/zinc/71/76/08/1166717608.db2.gz JVMWBYPCVZNJLF-DTWKUNHWSA-N -1 1 313.325 0.292 20 0 DCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccn1 ZINC001589977013 1166735063 /nfs/dbraw/zinc/73/50/63/1166735063.db2.gz XQNRPRQDTIQKPF-QMMMGPOBSA-N -1 1 320.334 0.894 20 0 DCADMM C[C@@H](O)[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC001589995131 1166739889 /nfs/dbraw/zinc/73/98/89/1166739889.db2.gz KTRCCWUVAGDBAR-APPZFPTMSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@@H](O)[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC001589995131 1166739892 /nfs/dbraw/zinc/73/98/92/1166739892.db2.gz KTRCCWUVAGDBAR-APPZFPTMSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589998151 1166746194 /nfs/dbraw/zinc/74/61/94/1166746194.db2.gz WEYFRGMIIUDWNU-SKDRFNHKSA-N -1 1 302.338 0.637 20 0 DCADMM C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589998151 1166746197 /nfs/dbraw/zinc/74/61/97/1166746197.db2.gz WEYFRGMIIUDWNU-SKDRFNHKSA-N -1 1 302.338 0.637 20 0 DCADMM C[C@@H](Oc1ccccn1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590033985 1166757973 /nfs/dbraw/zinc/75/79/73/1166757973.db2.gz DVAOGUHAKOKSLO-SSDOTTSWSA-N -1 1 300.282 0.391 20 0 DCADMM C[C@]1(C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCNC(=O)C1 ZINC001590074371 1166766099 /nfs/dbraw/zinc/76/60/99/1166766099.db2.gz STPRRPZCBCUAAY-ZDUSSCGKSA-N -1 1 321.362 0.888 20 0 DCADMM CC1(CCC(=O)NCCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001590126064 1166780904 /nfs/dbraw/zinc/78/09/04/1166780904.db2.gz BTIFYYVYCAKLMN-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC1(CCC(=O)NCCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001590126064 1166780911 /nfs/dbraw/zinc/78/09/11/1166780911.db2.gz BTIFYYVYCAKLMN-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC1(CC(=O)NCCCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001590122885 1166782857 /nfs/dbraw/zinc/78/28/57/1166782857.db2.gz IJMXDSAYNRIVCD-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC1(CC(=O)NCCCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001590122885 1166782862 /nfs/dbraw/zinc/78/28/62/1166782862.db2.gz IJMXDSAYNRIVCD-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM C[C@@]1(COC(=O)c2sccc2-c2nn[n-]n2)CNC(=O)C1 ZINC001590139779 1166787221 /nfs/dbraw/zinc/78/72/21/1166787221.db2.gz LWWQJVSEQGSILP-LBPRGKRZSA-N -1 1 307.335 0.611 20 0 DCADMM CC1(O)CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590150646 1166790737 /nfs/dbraw/zinc/79/07/37/1166790737.db2.gz UFRSJZZMTHKUQL-UHFFFAOYSA-N -1 1 303.326 0.640 20 0 DCADMM CC1(O)CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590150646 1166790743 /nfs/dbraw/zinc/79/07/43/1166790743.db2.gz UFRSJZZMTHKUQL-UHFFFAOYSA-N -1 1 303.326 0.640 20 0 DCADMM CC1=NO[C@@](C)(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590162690 1166792135 /nfs/dbraw/zinc/79/21/35/1166792135.db2.gz NCTYRFISIMVXDD-CYBMUJFWSA-N -1 1 301.310 0.779 20 0 DCADMM CC1=NO[C@@](C)(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590162690 1166792146 /nfs/dbraw/zinc/79/21/46/1166792146.db2.gz NCTYRFISIMVXDD-CYBMUJFWSA-N -1 1 301.310 0.779 20 0 DCADMM CC1=NO[C@](C)(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590162724 1166793430 /nfs/dbraw/zinc/79/34/30/1166793430.db2.gz NCTYRFISIMVXDD-ZDUSSCGKSA-N -1 1 301.310 0.779 20 0 DCADMM CC1=NO[C@](C)(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590162724 1166793433 /nfs/dbraw/zinc/79/34/33/1166793433.db2.gz NCTYRFISIMVXDD-ZDUSSCGKSA-N -1 1 301.310 0.779 20 0 DCADMM CC1=C[C@@H](C)CN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001590156738 1166793910 /nfs/dbraw/zinc/79/39/10/1166793910.db2.gz IHABEPQWLVKSNY-SCZZXKLOSA-N -1 1 302.342 0.444 20 0 DCADMM C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590164205 1166794650 /nfs/dbraw/zinc/79/46/50/1166794650.db2.gz NTHCKMYWCGDGKH-SSDOTTSWSA-N -1 1 306.351 0.231 20 0 DCADMM C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590164205 1166794660 /nfs/dbraw/zinc/79/46/60/1166794660.db2.gz NTHCKMYWCGDGKH-SSDOTTSWSA-N -1 1 306.351 0.231 20 0 DCADMM C[C@@H]1C(=O)N(C)CCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590163927 1166794940 /nfs/dbraw/zinc/79/49/40/1166794940.db2.gz MGULQKOTMZCVCY-MRVPVSSYSA-N -1 1 314.353 0.201 20 0 DCADMM C[C@@H]1C(=O)N(C)CCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590163927 1166794944 /nfs/dbraw/zinc/79/49/44/1166794944.db2.gz MGULQKOTMZCVCY-MRVPVSSYSA-N -1 1 314.353 0.201 20 0 DCADMM C[C@@H]1C[C@H](C)N(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2C)C1 ZINC001590191139 1166803641 /nfs/dbraw/zinc/80/36/41/1166803641.db2.gz PSSAOFVWIKEPHV-SFYZADRCSA-N -1 1 314.357 0.620 20 0 DCADMM C[C@H]1C[C@H](C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)CO1 ZINC001590183561 1166803681 /nfs/dbraw/zinc/80/36/81/1166803681.db2.gz XZYGLPBQVIYLLU-UWVGGRQHSA-N -1 1 314.349 0.966 20 0 DCADMM C[C@H]1C[C@H](C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)CO1 ZINC001590183561 1166803686 /nfs/dbraw/zinc/80/36/86/1166803686.db2.gz XZYGLPBQVIYLLU-UWVGGRQHSA-N -1 1 314.349 0.966 20 0 DCADMM C[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590192960 1166805203 /nfs/dbraw/zinc/80/52/03/1166805203.db2.gz YOHIEBWUAMCVLW-DTWKUNHWSA-N -1 1 308.367 0.681 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CO1 ZINC001590199483 1166808527 /nfs/dbraw/zinc/80/85/27/1166808527.db2.gz KZRJVYHADCAFTG-RQJHMYQMSA-N -1 1 309.355 0.300 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CO1 ZINC001590199483 1166808532 /nfs/dbraw/zinc/80/85/32/1166808532.db2.gz KZRJVYHADCAFTG-RQJHMYQMSA-N -1 1 309.355 0.300 20 0 DCADMM C[C@@H]1CC[C@@H](C(=O)NCCNc2nccnc2-c2nnn[n-]2)C1 ZINC001590223704 1166820239 /nfs/dbraw/zinc/82/02/39/1166820239.db2.gz PGNMLCHHHKQPBA-NXEZZACHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H]1CC[C@@H](C(=O)NCCNc2nccnc2-c2nn[n-]n2)C1 ZINC001590223704 1166820252 /nfs/dbraw/zinc/82/02/52/1166820252.db2.gz PGNMLCHHHKQPBA-NXEZZACHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H]1CCC[C@]1(O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590251008 1166826778 /nfs/dbraw/zinc/82/67/78/1166826778.db2.gz XDMVLCXSXZVJJJ-BONVTDFDSA-N -1 1 316.365 0.472 20 0 DCADMM C[C@H]1CCC[C@]1(O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590251008 1166826785 /nfs/dbraw/zinc/82/67/85/1166826785.db2.gz XDMVLCXSXZVJJJ-BONVTDFDSA-N -1 1 316.365 0.472 20 0 DCADMM C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001590242369 1166826996 /nfs/dbraw/zinc/82/69/96/1166826996.db2.gz GFYSMWYQDNRAIA-AOOOYVTPSA-N -1 1 317.353 0.213 20 0 DCADMM C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590266327 1166831850 /nfs/dbraw/zinc/83/18/50/1166831850.db2.gz QKIHNWWTMXMODS-MRVPVSSYSA-N -1 1 301.310 0.069 20 0 DCADMM C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590266327 1166831855 /nfs/dbraw/zinc/83/18/55/1166831855.db2.gz QKIHNWWTMXMODS-MRVPVSSYSA-N -1 1 301.310 0.069 20 0 DCADMM C[C@@H]1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC001590272487 1166834914 /nfs/dbraw/zinc/83/49/14/1166834914.db2.gz PXOWRXDFPVVGFG-SNVBAGLBSA-N -1 1 322.394 0.271 20 0 DCADMM C[C@@H]1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC001590272487 1166834923 /nfs/dbraw/zinc/83/49/23/1166834923.db2.gz PXOWRXDFPVVGFG-SNVBAGLBSA-N -1 1 322.394 0.271 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)[C@H](C)[C@@H](C)O1 ZINC001590293399 1166843162 /nfs/dbraw/zinc/84/31/62/1166843162.db2.gz XNDIDFOBBMKTPZ-GMTAPVOTSA-N -1 1 316.365 0.829 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)[C@H](C)[C@@H](C)O1 ZINC001590293399 1166843166 /nfs/dbraw/zinc/84/31/66/1166843166.db2.gz XNDIDFOBBMKTPZ-GMTAPVOTSA-N -1 1 316.365 0.829 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@]1(C)CO ZINC001590297021 1166843359 /nfs/dbraw/zinc/84/33/59/1166843359.db2.gz AKZVFKYXBMANMY-LKFCYVNXSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@]1(C)CO ZINC001590297021 1166843367 /nfs/dbraw/zinc/84/33/67/1166843367.db2.gz AKZVFKYXBMANMY-LKFCYVNXSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001590298389 1166846448 /nfs/dbraw/zinc/84/64/48/1166846448.db2.gz WDXGINKUZPKWJS-WKEGUHRASA-N -1 1 309.276 0.598 20 0 DCADMM C[C@H]1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C[C@@H]1O ZINC001590298389 1166846454 /nfs/dbraw/zinc/84/64/54/1166846454.db2.gz WDXGINKUZPKWJS-WKEGUHRASA-N -1 1 309.276 0.598 20 0 DCADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@]2(CCOC2)O1 ZINC001590312743 1166858169 /nfs/dbraw/zinc/85/81/69/1166858169.db2.gz QMWMOCFKNPMTSP-ZANVPECISA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@]2(CCOC2)O1 ZINC001590312743 1166858171 /nfs/dbraw/zinc/85/81/71/1166858171.db2.gz QMWMOCFKNPMTSP-ZANVPECISA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC(=O)N1C ZINC001590313203 1166858554 /nfs/dbraw/zinc/85/85/54/1166858554.db2.gz LZIBYLFJQKOSSC-MRVPVSSYSA-N -1 1 314.353 0.201 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC(=O)N1C ZINC001590313203 1166858561 /nfs/dbraw/zinc/85/85/61/1166858561.db2.gz LZIBYLFJQKOSSC-MRVPVSSYSA-N -1 1 314.353 0.201 20 0 DCADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@]2(CCOC2)O1 ZINC001590317200 1166863070 /nfs/dbraw/zinc/86/30/70/1166863070.db2.gz ZFBREURSTRAOCT-ZANVPECISA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@H](C(F)(F)F)O1 ZINC001590321293 1166863864 /nfs/dbraw/zinc/86/38/64/1166863864.db2.gz VBUMNNVFAXEWIB-POYBYMJQSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1COC[C@H]1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590322624 1166863937 /nfs/dbraw/zinc/86/39/37/1166863937.db2.gz DDIOIEHDECUMOL-QUBYGPBYSA-N -1 1 309.276 0.910 20 0 DCADMM C[C@H]1COC[C@H]1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590322624 1166863941 /nfs/dbraw/zinc/86/39/41/1166863941.db2.gz DDIOIEHDECUMOL-QUBYGPBYSA-N -1 1 309.276 0.910 20 0 DCADMM C[C@H]1CSCCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590328738 1166867297 /nfs/dbraw/zinc/86/72/97/1166867297.db2.gz IUKCWOXMEGPVKW-QMMMGPOBSA-N -1 1 322.398 0.960 20 0 DCADMM C[C@H]1CSCCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590328738 1166867301 /nfs/dbraw/zinc/86/73/01/1166867301.db2.gz IUKCWOXMEGPVKW-QMMMGPOBSA-N -1 1 322.398 0.960 20 0 DCADMM C[C@@H]1OCC[C@]12CN(c1ncncc1-c1nn[n-]n1)CCO2 ZINC001590333838 1166869806 /nfs/dbraw/zinc/86/98/06/1166869806.db2.gz LEWZJLDKKDXIBS-ZANVPECISA-N -1 1 303.326 0.041 20 0 DCADMM C/C=C(/C)C(=O)N(CC)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590344929 1166875690 /nfs/dbraw/zinc/87/56/90/1166875690.db2.gz XPGNTLSNIVLRCM-WMZJFQQLSA-N -1 1 316.369 0.883 20 0 DCADMM C/C=C(/C)C(=O)N(CC)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590344929 1166875697 /nfs/dbraw/zinc/87/56/97/1166875697.db2.gz XPGNTLSNIVLRCM-WMZJFQQLSA-N -1 1 316.369 0.883 20 0 DCADMM C/C=C(\C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590342515 1166876683 /nfs/dbraw/zinc/87/66/83/1166876683.db2.gz HLURFSORLUSXHI-NAZIUFLLSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(\C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590342515 1166876689 /nfs/dbraw/zinc/87/66/89/1166876689.db2.gz HLURFSORLUSXHI-NAZIUFLLSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(\C)C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590349156 1166878626 /nfs/dbraw/zinc/87/86/26/1166878626.db2.gz ZQDUKGXVBMMGGS-CYNRKNSPSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(\C)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590349156 1166878633 /nfs/dbraw/zinc/87/86/33/1166878633.db2.gz ZQDUKGXVBMMGGS-CYNRKNSPSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(/C)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001590348566 1166878867 /nfs/dbraw/zinc/87/88/67/1166878867.db2.gz UOILVPBOFHUIMJ-HYHWUIIZSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(/C)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001590348566 1166878871 /nfs/dbraw/zinc/87/88/71/1166878871.db2.gz UOILVPBOFHUIMJ-HYHWUIIZSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(\C)C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590347354 1166878963 /nfs/dbraw/zinc/87/89/63/1166878963.db2.gz PCYAPKQFZIQCEN-LLGDCAAFSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(\C)C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590347354 1166878964 /nfs/dbraw/zinc/87/89/64/1166878964.db2.gz PCYAPKQFZIQCEN-LLGDCAAFSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(\C)C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590345028 1166879671 /nfs/dbraw/zinc/87/96/71/1166879671.db2.gz HBZMPYRXAHPIEE-WXLQGSQKSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(\C)C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590345028 1166879677 /nfs/dbraw/zinc/87/96/77/1166879677.db2.gz HBZMPYRXAHPIEE-WXLQGSQKSA-N -1 1 316.369 0.930 20 0 DCADMM CCC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001590374904 1166892914 /nfs/dbraw/zinc/89/29/14/1166892914.db2.gz CRRVLTZHALJCRK-SECBINFHSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001590374904 1166892916 /nfs/dbraw/zinc/89/29/16/1166892916.db2.gz CRRVLTZHALJCRK-SECBINFHSA-N -1 1 302.342 0.373 20 0 DCADMM CC/C(C)=C/C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590395424 1166896528 /nfs/dbraw/zinc/89/65/28/1166896528.db2.gz ZMNLCRIZPHAVKR-PCYYEKQGSA-N -1 1 316.369 0.352 20 0 DCADMM CC[C@@H](C)NC(=O)CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590412425 1166900867 /nfs/dbraw/zinc/90/08/67/1166900867.db2.gz KMXDXKZRNFLDKL-SECBINFHSA-N -1 1 317.353 0.296 20 0 DCADMM CC[C@@H](C)NC(=O)CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590412425 1166900871 /nfs/dbraw/zinc/90/08/71/1166900871.db2.gz KMXDXKZRNFLDKL-SECBINFHSA-N -1 1 317.353 0.296 20 0 DCADMM CC[C@H](F)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590453542 1166910895 /nfs/dbraw/zinc/91/08/95/1166910895.db2.gz SELQSPJMOINYEV-VIFPVBQESA-N -1 1 320.332 0.053 20 0 DCADMM CC[C@@H]1[C@@H](C)CCN1C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590501197 1166928820 /nfs/dbraw/zinc/92/88/20/1166928820.db2.gz XLDPEJXLLZUDHF-LPEHRKFASA-N -1 1 304.358 0.666 20 0 DCADMM CC/C=C\[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001590534015 1166937021 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1167100990 /nfs/dbraw/zinc/10/09/90/1167100990.db2.gz GZLYFTUDGHMICJ-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCCNC(=O)CC1CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001591075159 1167100995 /nfs/dbraw/zinc/10/09/95/1167100995.db2.gz GZLYFTUDGHMICJ-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCS(C)(=O)=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001591117172 1167108035 /nfs/dbraw/zinc/10/80/35/1167108035.db2.gz KFWNRMCPPOEZHI-UHFFFAOYSA-N -1 1 301.397 0.405 20 0 DCADMM CN(Cc1ccccc1F)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001591148919 1167116758 /nfs/dbraw/zinc/11/67/58/1167116758.db2.gz MDHZELXASGLILL-UHFFFAOYSA-N -1 1 316.300 0.256 20 0 DCADMM CN(Cc1ccccc1)C(=O)CNc1ccnc(-c2nnn[n-]2)c1 ZINC001591147460 1167117678 /nfs/dbraw/zinc/11/76/78/1167117678.db2.gz IOYCUIDRXFZLHE-UHFFFAOYSA-N -1 1 323.360 0.754 20 0 DCADMM CN(Cc1ccccc1)C(=O)CNc1ccnc(-c2nn[n-]n2)c1 ZINC001591147460 1167117684 /nfs/dbraw/zinc/11/76/84/1167117684.db2.gz IOYCUIDRXFZLHE-UHFFFAOYSA-N -1 1 323.360 0.754 20 0 DCADMM CN(Cc1ncnn1CC(F)F)c1ccc(-c2nnn[n-]2)nn1 ZINC001591153233 1167118509 /nfs/dbraw/zinc/11/85/09/1167118509.db2.gz GKANALYENUXCBP-UHFFFAOYSA-N -1 1 322.283 0.150 20 0 DCADMM CN(Cc1ncnn1CC(F)F)c1ccc(-c2nn[n-]n2)nn1 ZINC001591153233 1167118517 /nfs/dbraw/zinc/11/85/17/1167118517.db2.gz GKANALYENUXCBP-UHFFFAOYSA-N -1 1 322.283 0.150 20 0 DCADMM CN1C[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1=O ZINC001591168321 1167121163 /nfs/dbraw/zinc/12/11/63/1167121163.db2.gz KAHGVTPPEFHHBN-QMMMGPOBSA-N -1 1 320.378 0.526 20 0 DCADMM CN1C[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1=O ZINC001591168321 1167121167 /nfs/dbraw/zinc/12/11/67/1167121167.db2.gz KAHGVTPPEFHHBN-QMMMGPOBSA-N -1 1 320.378 0.526 20 0 DCADMM CN1C(=O)c2ccccc2[C@@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001591165836 1167121532 /nfs/dbraw/zinc/12/15/32/1167121532.db2.gz YOGGWVPSDIKLDQ-LBPRGKRZSA-N -1 1 322.332 0.896 20 0 DCADMM CN1C(=O)c2ccccc2[C@@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001591165836 1167121535 /nfs/dbraw/zinc/12/15/35/1167121535.db2.gz 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1167181987 /nfs/dbraw/zinc/18/19/87/1167181987.db2.gz XQMUYNZPCJYFCP-CQSZACIVSA-N -1 1 319.321 0.921 20 0 DCADMM COC(=O)C[C@@](C)(NC(=O)c1coc(-c2nn[n-]n2)c1)C1CC1 ZINC001591258035 1167181991 /nfs/dbraw/zinc/18/19/91/1167181991.db2.gz XQMUYNZPCJYFCP-CQSZACIVSA-N -1 1 319.321 0.921 20 0 DCADMM COC(=O)CC1(COC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001591258721 1167183339 /nfs/dbraw/zinc/18/33/39/1167183339.db2.gz DSOSLERWGREHIY-UHFFFAOYSA-N -1 1 306.278 0.960 20 0 DCADMM COC(=O)CC1(COC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001591258721 1167183344 /nfs/dbraw/zinc/18/33/44/1167183344.db2.gz DSOSLERWGREHIY-UHFFFAOYSA-N -1 1 306.278 0.960 20 0 DCADMM COC(=O)CCCCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591262236 1167184223 /nfs/dbraw/zinc/18/42/23/1167184223.db2.gz NMMIZTLXYMBYJG-UHFFFAOYSA-N -1 1 304.310 0.335 20 0 DCADMM COC(=O)CCCCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591262236 1167184226 /nfs/dbraw/zinc/18/42/26/1167184226.db2.gz NMMIZTLXYMBYJG-UHFFFAOYSA-N -1 1 304.310 0.335 20 0 DCADMM COC(=O)C[C@H]1COCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001591263365 1167187052 /nfs/dbraw/zinc/18/70/52/1167187052.db2.gz ZFFPRMKIYCKTNQ-JTQLQIEISA-N -1 1 304.310 0.030 20 0 DCADMM COC(=O)C[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001591263365 1167187058 /nfs/dbraw/zinc/18/70/58/1167187058.db2.gz ZFFPRMKIYCKTNQ-JTQLQIEISA-N -1 1 304.310 0.030 20 0 DCADMM COC(=O)CN(CC(C)C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591267025 1167188009 /nfs/dbraw/zinc/18/80/09/1167188009.db2.gz FOOGKWHQCOPDBR-UHFFFAOYSA-N -1 1 305.342 0.601 20 0 DCADMM COC(=O)CN(CC(C)C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591267025 1167188017 /nfs/dbraw/zinc/18/80/17/1167188017.db2.gz FOOGKWHQCOPDBR-UHFFFAOYSA-N -1 1 305.342 0.601 20 0 DCADMM COC(=O)N(C)CCCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001591271575 1167190603 /nfs/dbraw/zinc/19/06/03/1167190603.db2.gz SUVLGOYRVRWKLQ-UHFFFAOYSA-N -1 1 308.302 0.007 20 0 DCADMM COC(=O)N(C)CCCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001591271575 1167190608 /nfs/dbraw/zinc/19/06/08/1167190608.db2.gz SUVLGOYRVRWKLQ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/20/32/86/1167203286.db2.gz RYTAMCIFMAFPJG-JTQLQIEISA-N -1 1 304.310 0.231 20 0 DCADMM CO[C@H](Cc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001591335282 1167219146 /nfs/dbraw/zinc/21/91/46/1167219146.db2.gz ZQVONVDZVRDSDX-LLVKDONJSA-N -1 1 313.321 0.543 20 0 DCADMM COC1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCOCC1 ZINC001591337034 1167219520 /nfs/dbraw/zinc/21/95/20/1167219520.db2.gz ZIWHBAZOEWKIRC-UHFFFAOYSA-N -1 1 324.366 0.135 20 0 DCADMM COC1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCOCC1 ZINC001591337034 1167219524 /nfs/dbraw/zinc/21/95/24/1167219524.db2.gz ZIWHBAZOEWKIRC-UHFFFAOYSA-N -1 1 324.366 0.135 20 0 DCADMM COC1(CO)CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001591343779 1167225341 /nfs/dbraw/zinc/22/53/41/1167225341.db2.gz GXRUEKAFQWHIDK-UHFFFAOYSA-N -1 1 310.383 0.297 20 0 DCADMM COC1(CO)CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001591343779 1167225347 /nfs/dbraw/zinc/22/53/47/1167225347.db2.gz GXRUEKAFQWHIDK-UHFFFAOYSA-N -1 1 310.383 0.297 20 0 DCADMM CO[C@H]1CC[C@@H](C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)C1 ZINC001591348816 1167228348 /nfs/dbraw/zinc/22/83/48/1167228348.db2.gz XMNUKECASWMBTE-BDAKNGLRSA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@H]1CC[C@@H](C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)C1 ZINC001591348816 1167228354 /nfs/dbraw/zinc/22/83/54/1167228354.db2.gz XMNUKECASWMBTE-BDAKNGLRSA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591360404 1167233229 /nfs/dbraw/zinc/23/32/29/1167233229.db2.gz HYSANGVQMKMACJ-DTWKUNHWSA-N -1 1 323.378 0.710 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591360404 1167233235 /nfs/dbraw/zinc/23/32/35/1167233235.db2.gz HYSANGVQMKMACJ-DTWKUNHWSA-N -1 1 323.378 0.710 20 0 DCADMM COC1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001591357943 1167234306 /nfs/dbraw/zinc/23/43/06/1167234306.db2.gz QVBGJGRMEUQWQP-UHFFFAOYSA-N -1 1 302.338 0.442 20 0 DCADMM COC1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001591357943 1167234313 /nfs/dbraw/zinc/23/43/13/1167234313.db2.gz 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COC[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591393880 1167261716 /nfs/dbraw/zinc/26/17/16/1167261716.db2.gz HXWUOFKTIMKMJE-LLVKDONJSA-N -1 1 302.338 0.299 20 0 DCADMM COCCN(c1ccnc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC001591428980 1167282452 /nfs/dbraw/zinc/28/24/52/1167282452.db2.gz LSFCAENIFVFINT-UHFFFAOYSA-N -1 1 305.342 0.289 20 0 DCADMM COCCNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001591430587 1167283991 /nfs/dbraw/zinc/28/39/91/1167283991.db2.gz GRRTVCHYWSWYOW-UHFFFAOYSA-N -1 1 316.243 0.657 20 0 DCADMM COCCn1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001591451358 1167292600 /nfs/dbraw/zinc/29/26/00/1167292600.db2.gz MMCXWFXMQRVYOY-UHFFFAOYSA-N -1 1 318.293 0.660 20 0 DCADMM COCCn1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001591451358 1167292603 /nfs/dbraw/zinc/29/26/03/1167292603.db2.gz MMCXWFXMQRVYOY-UHFFFAOYSA-N -1 1 318.293 0.660 20 0 DCADMM COCc1csc(CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591459751 1167294049 /nfs/dbraw/zinc/29/40/49/1167294049.db2.gz UHSTUQNOXKIBBQ-UHFFFAOYSA-N -1 1 303.351 0.899 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1scnc1C ZINC001591475233 1167306766 /nfs/dbraw/zinc/30/67/66/1167306766.db2.gz UQZYZXDNFIUJJQ-UHFFFAOYSA-N -1 1 304.335 0.850 20 0 DCADMM COc1cc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)n(C)n1 ZINC001591546132 1167328572 /nfs/dbraw/zinc/32/85/72/1167328572.db2.gz NMXRUABXCYZTPF-UHFFFAOYSA-N -1 1 303.282 0.763 20 0 DCADMM COc1cc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)n(C)n1 ZINC001591546132 1167328577 /nfs/dbraw/zinc/32/85/77/1167328577.db2.gz NMXRUABXCYZTPF-UHFFFAOYSA-N -1 1 303.282 0.763 20 0 DCADMM COc1ccc(OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001591618890 1167340221 /nfs/dbraw/zinc/34/02/21/1167340221.db2.gz RCVAXCPAJXOBFH-MRVPVSSYSA-N -1 1 315.293 0.633 20 0 DCADMM COc1cccnc1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001591655083 1167340270 /nfs/dbraw/zinc/34/02/70/1167340270.db2.gz SNEKKJBZJOQQKY-UHFFFAOYSA-N -1 1 300.282 0.175 20 0 DCADMM COc1cccnc1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001591655083 1167340278 /nfs/dbraw/zinc/34/02/78/1167340278.db2.gz SNEKKJBZJOQQKY-UHFFFAOYSA-N -1 1 300.282 0.175 20 0 DCADMM COc1ncc(C=CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)cn1 ZINC001591663218 1167343043 /nfs/dbraw/zinc/34/30/43/1167343043.db2.gz KKCPPBNDSAFIJZ-NSCUHMNNSA-N -1 1 313.281 0.040 20 0 DCADMM COc1ncc(NC(=O)CCC2(O)CCC2)cc1-c1nn[n-]n1 ZINC001591663983 1167344680 /nfs/dbraw/zinc/34/46/80/1167344680.db2.gz HCUPILOUAIHDDF-UHFFFAOYSA-N -1 1 318.337 0.904 20 0 DCADMM COc1nc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)co1 ZINC001591660405 1167344823 /nfs/dbraw/zinc/34/48/23/1167344823.db2.gz KVJMIZVGGAHSAT-UHFFFAOYSA-N -1 1 316.281 0.716 20 0 DCADMM CS(=O)(=O)[C@H]1CCCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591673743 1167348697 /nfs/dbraw/zinc/34/86/97/1167348697.db2.gz MOGUFGBZPYIDGT-JTQLQIEISA-N -1 1 322.394 0.665 20 0 DCADMM CS(=O)(=O)[C@H]1CCCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591673743 1167348703 /nfs/dbraw/zinc/34/87/03/1167348703.db2.gz MOGUFGBZPYIDGT-JTQLQIEISA-N -1 1 322.394 0.665 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001591673069 1167348853 /nfs/dbraw/zinc/34/88/53/1167348853.db2.gz GGAWTQQDLKNCTP-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001591673069 1167348859 /nfs/dbraw/zinc/34/88/59/1167348859.db2.gz GGAWTQQDLKNCTP-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)C[C@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001591672675 1167349416 /nfs/dbraw/zinc/34/94/16/1167349416.db2.gz AJQCJSSJSDXDOU-SNVBAGLBSA-N -1 1 322.394 0.665 20 0 DCADMM CS(=O)(=O)C[C@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001591672675 1167349423 /nfs/dbraw/zinc/34/94/23/1167349423.db2.gz AJQCJSSJSDXDOU-SNVBAGLBSA-N -1 1 322.394 0.665 20 0 DCADMM CS(=O)(=O)C[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591672963 1167349615 /nfs/dbraw/zinc/34/96/15/1167349615.db2.gz KHZBXYWZZIYSFG-JTQLQIEISA-N -1 1 322.394 0.523 20 0 DCADMM CS(=O)(=O)C[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591672963 1167349623 /nfs/dbraw/zinc/34/96/23/1167349623.db2.gz KHZBXYWZZIYSFG-JTQLQIEISA-N -1 1 322.394 0.523 20 0 DCADMM C[S@](=O)C1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001591683048 1167351608 /nfs/dbraw/zinc/35/16/08/1167351608.db2.gz RLNPNDRAGMESSJ-QFIPXVFZSA-N -1 1 320.378 0.293 20 0 DCADMM C[S@](=O)C1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001591683048 1167351616 /nfs/dbraw/zinc/35/16/16/1167351616.db2.gz RLNPNDRAGMESSJ-QFIPXVFZSA-N -1 1 320.378 0.293 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)NC2(C)COC2)cc1-c1nn[n-]n1 ZINC001591702961 1167359172 /nfs/dbraw/zinc/35/91/72/1167359172.db2.gz DOQNGAMFPKHMNP-UHFFFAOYSA-N -1 1 322.350 0.208 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c(=O)n1C ZINC001591794084 1167382242 /nfs/dbraw/zinc/38/22/42/1167382242.db2.gz YALMUTKHIAHBNW-AXFHLTTASA-N -1 1 314.349 0.248 20 0 DCADMM Cc1c(CC(=O)OCc2cccnc2-c2nnn[n-]2)cnn1C ZINC001591815792 1167386249 /nfs/dbraw/zinc/38/62/49/1167386249.db2.gz DVPVYXOGMVLHBL-UHFFFAOYSA-N -1 1 313.321 0.590 20 0 DCADMM Cc1c(CC(=O)OCc2cccnc2-c2nn[n-]n2)cnn1C ZINC001591815792 1167386252 /nfs/dbraw/zinc/38/62/52/1167386252.db2.gz DVPVYXOGMVLHBL-UHFFFAOYSA-N -1 1 313.321 0.590 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC001591883788 1167408758 /nfs/dbraw/zinc/40/87/58/1167408758.db2.gz GWKKBMSQCLNMTR-ZJUUUORDSA-N -1 1 301.354 0.660 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC001591883788 1167408763 /nfs/dbraw/zinc/40/87/63/1167408763.db2.gz GWKKBMSQCLNMTR-ZJUUUORDSA-N -1 1 301.354 0.660 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C(N)=O)CC[C@@H]2C)n1 ZINC001591883891 1167409501 /nfs/dbraw/zinc/40/95/01/1167409501.db2.gz LBAMVBKMWJJPDF-DTWKUNHWSA-N -1 1 302.342 0.055 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C(N)=O)CC[C@@H]2C)n1 ZINC001591883891 1167409507 /nfs/dbraw/zinc/40/95/07/1167409507.db2.gz LBAMVBKMWJJPDF-DTWKUNHWSA-N -1 1 302.342 0.055 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](C)[C@H]2CCO)n1 ZINC001591889293 1167411082 /nfs/dbraw/zinc/41/10/82/1167411082.db2.gz PEMFYFCVMFYYFK-BXKDBHETSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](C)[C@H]2CCO)n1 ZINC001591889293 1167411088 /nfs/dbraw/zinc/41/10/88/1167411088.db2.gz PEMFYFCVMFYYFK-BXKDBHETSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCNC(=O)C2CCC2)n1 ZINC001591899132 1167412950 /nfs/dbraw/zinc/41/29/50/1167412950.db2.gz ZBXJUUIYCFAECU-UHFFFAOYSA-N -1 1 316.369 0.683 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCNC(=O)C2CCC2)n1 ZINC001591899132 1167412954 /nfs/dbraw/zinc/41/29/54/1167412954.db2.gz ZBXJUUIYCFAECU-UHFFFAOYSA-N -1 1 316.369 0.683 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(SC[C@H]2CN(C)CCO2)n1 ZINC001591902950 1167415854 /nfs/dbraw/zinc/41/58/54/1167415854.db2.gz CERKMWRCPCICDH-SECBINFHSA-N -1 1 307.383 0.388 20 0 DCADMM Cc1cc(F)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(F)c1 ZINC001591987685 1167429592 /nfs/dbraw/zinc/42/95/92/1167429592.db2.gz FHOZMHDCZSNNIT-UHFFFAOYSA-N -1 1 305.248 0.921 20 0 DCADMM Cc1cc(N2CCCS(=O)(=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001592005892 1167432870 /nfs/dbraw/zinc/43/28/70/1167432870.db2.gz IAGDAYLDMXCCME-UHFFFAOYSA-N -1 1 308.367 0.195 20 0 DCADMM Cc1cc(N2CCCS(=O)(=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001592005892 1167432880 /nfs/dbraw/zinc/43/28/80/1167432880.db2.gz IAGDAYLDMXCCME-UHFFFAOYSA-N -1 1 308.367 0.195 20 0 DCADMM Cc1cc(N2CCO[C@@](C)(C(=O)[O-])C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592007543 1167435413 /nfs/dbraw/zinc/43/54/13/1167435413.db2.gz VHMKRCMKNDEMOL-CYBMUJFWSA-N -1 1 304.310 0.250 20 0 DCADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c(N(C)C)nn1 ZINC001592029700 1167439419 /nfs/dbraw/zinc/43/94/19/1167439419.db2.gz HLZFXAZQRGRHBN-UHFFFAOYSA-N -1 1 314.309 0.876 20 0 DCADMM Cc1cc(N[C@H](CO)C[C@@H](O)C(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592035722 1167441185 /nfs/dbraw/zinc/44/11/85/1167441185.db2.gz PQVMLBXJHAIOAJ-WCQYABFASA-N -1 1 320.397 0.562 20 0 DCADMM Cc1cc(N[C@H](CO)C[C@@H](O)C(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592035722 1167441191 /nfs/dbraw/zinc/44/11/91/1167441191.db2.gz PQVMLBXJHAIOAJ-WCQYABFASA-N -1 1 320.397 0.562 20 0 DCADMM Cc1cc(N[C@@H]2CCc3nnn(C)c3C2)cc(-c2nnn[n-]2)n1 ZINC001592040142 1167442255 /nfs/dbraw/zinc/44/22/55/1167442255.db2.gz QUTDLTCIIGGKSZ-SECBINFHSA-N -1 1 311.353 0.090 20 0 DCADMM Cc1cc(N[C@@H]2CCc3nnn(C)c3C2)cc(-c2nn[n-]n2)n1 ZINC001592040142 1167442260 /nfs/dbraw/zinc/44/22/60/1167442260.db2.gz QUTDLTCIIGGKSZ-SECBINFHSA-N -1 1 311.353 0.090 20 0 DCADMM Cc1cc([C@H](C)OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)no1 ZINC001592067757 1167448301 /nfs/dbraw/zinc/44/83/01/1167448301.db2.gz BPRKYVBJOYSAHG-YUMQZZPRSA-N -1 1 318.297 0.620 20 0 DCADMM Cc1ccc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)nc1 ZINC001592167544 1167467582 /nfs/dbraw/zinc/46/75/82/1167467582.db2.gz MFFKCDNMORQRIG-VIFPVBQESA-N -1 1 314.309 0.466 20 0 DCADMM Cc1ccc(N2CCOC3(CCOCC3)C2)c(-c2nnn[n-]2)n1 ZINC001592175179 1167467870 /nfs/dbraw/zinc/46/78/70/1167467870.db2.gz ICYFIAWBJHKFRO-UHFFFAOYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(N2CCOC3(CCOCC3)C2)c(-c2nn[n-]n2)n1 ZINC001592175179 1167467874 /nfs/dbraw/zinc/46/78/74/1167467874.db2.gz ICYFIAWBJHKFRO-UHFFFAOYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(N2C[C@@H]3CCC[C@]3(C(N)=O)C2)c(-c2nnn[n-]2)n1 ZINC001592176675 1167470460 /nfs/dbraw/zinc/47/04/60/1167470460.db2.gz CUXWKCATARVMBN-BONVTDFDSA-N -1 1 313.365 0.662 20 0 DCADMM Cc1ccc(N2C[C@@H]3CCC[C@]3(C(N)=O)C2)c(-c2nn[n-]n2)n1 ZINC001592176675 1167470463 /nfs/dbraw/zinc/47/04/63/1167470463.db2.gz CUXWKCATARVMBN-BONVTDFDSA-N -1 1 313.365 0.662 20 0 DCADMM Cc1ccc(N2CCN3C(=O)OC[C@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592176240 1167471270 /nfs/dbraw/zinc/47/12/70/1167471270.db2.gz RMCIZRBZUXPHDR-SECBINFHSA-N -1 1 301.310 0.211 20 0 DCADMM Cc1ccc(N2CCN3C(=O)OC[C@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592176240 1167471272 /nfs/dbraw/zinc/47/12/72/1167471272.db2.gz RMCIZRBZUXPHDR-SECBINFHSA-N -1 1 301.310 0.211 20 0 DCADMM Cc1ccc(NCC[C@@H]2CC(=O)N(C)C2)nc1-c1nnn[n-]1 ZINC001592183153 1167471367 /nfs/dbraw/zinc/47/13/67/1167471367.db2.gz NZZSVHBFULXCLM-SNVBAGLBSA-N -1 1 301.354 0.850 20 0 DCADMM Cc1ccc(NCC[C@@H]2CC(=O)N(C)C2)nc1-c1nn[n-]n1 ZINC001592183153 1167471369 /nfs/dbraw/zinc/47/13/69/1167471369.db2.gz NZZSVHBFULXCLM-SNVBAGLBSA-N -1 1 301.354 0.850 20 0 DCADMM Cc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)n1 ZINC001592176105 1167471574 /nfs/dbraw/zinc/47/15/74/1167471574.db2.gz VYHMSODWLQSMCV-JTQLQIEISA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)n1 ZINC001592176105 1167471578 /nfs/dbraw/zinc/47/15/78/1167471578.db2.gz VYHMSODWLQSMCV-JTQLQIEISA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(NCC(=O)NCc2ccco2)nc1-c1nnn[n-]1 ZINC001592183815 1167472426 /nfs/dbraw/zinc/47/24/26/1167472426.db2.gz JVJYLKZYQSLZTP-UHFFFAOYSA-N -1 1 313.321 0.891 20 0 DCADMM Cc1ccc(NCC(=O)NCc2ccco2)nc1-c1nn[n-]n1 ZINC001592183815 1167472429 /nfs/dbraw/zinc/47/24/29/1167472429.db2.gz JVJYLKZYQSLZTP-UHFFFAOYSA-N -1 1 313.321 0.891 20 0 DCADMM Cc1ccc(NC[C@H](O)c2cnn(C)c2)c(-c2nnn[n-]2)n1 ZINC001592183921 1167473660 /nfs/dbraw/zinc/47/36/60/1167473660.db2.gz YTZUUVGTGDEXAG-NSHDSACASA-N -1 1 300.326 0.449 20 0 DCADMM Cc1ccc(NC[C@H](O)c2cnn(C)c2)c(-c2nn[n-]n2)n1 ZINC001592183921 1167473664 /nfs/dbraw/zinc/47/36/64/1167473664.db2.gz YTZUUVGTGDEXAG-NSHDSACASA-N -1 1 300.326 0.449 20 0 DCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)C(F)F ZINC001592202332 1167475821 /nfs/dbraw/zinc/47/58/21/1167475821.db2.gz COTHMBQVJLISCW-UHFFFAOYSA-N -1 1 320.259 0.719 20 0 DCADMM Cc1ccn([C@H](C)CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC001592264881 1167479576 /nfs/dbraw/zinc/47/95/76/1167479576.db2.gz LAOFJZHVXPIQAJ-SECBINFHSA-N -1 1 315.341 0.695 20 0 DCADMM Cc1ccn([C@H](C)CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC001592264881 1167479581 /nfs/dbraw/zinc/47/95/81/1167479581.db2.gz LAOFJZHVXPIQAJ-SECBINFHSA-N -1 1 315.341 0.695 20 0 DCADMM Cc1cnc(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)c([O-])c1 ZINC001592290378 1167484547 /nfs/dbraw/zinc/48/45/47/1167484547.db2.gz PCEYONOAGVQNEO-UHFFFAOYSA-N -1 1 311.305 0.601 20 0 DCADMM Cc1cncc(CCn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)n1 ZINC001592298527 1167484959 /nfs/dbraw/zinc/48/49/59/1167484959.db2.gz BKEALAXAIRZVGD-UHFFFAOYSA-N -1 1 312.337 0.381 20 0 DCADMM Cc1nnc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)[nH]1 ZINC001592327182 1167488170 /nfs/dbraw/zinc/48/81/70/1167488170.db2.gz FCFXXIOJHTZAOI-UHFFFAOYSA-N -1 1 308.305 0.656 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](c3nncn3C)C2)n1 ZINC001592337132 1167494424 /nfs/dbraw/zinc/49/44/24/1167494424.db2.gz CACLTEOZRLLJOB-VIFPVBQESA-N -1 1 312.341 0.088 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](c3nncn3C)C2)n1 ZINC001592337132 1167494426 /nfs/dbraw/zinc/49/44/26/1167494426.db2.gz CACLTEOZRLLJOB-VIFPVBQESA-N -1 1 312.341 0.088 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)N2CCOC(C)(C)C2)c1C ZINC001592340036 1167495734 /nfs/dbraw/zinc/49/57/34/1167495734.db2.gz TXMLOMZUFQVXQM-UHFFFAOYSA-N -1 1 319.369 0.317 20 0 DCADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)N2CCOC(C)(C)C2)c1C ZINC001592340036 1167495736 /nfs/dbraw/zinc/49/57/36/1167495736.db2.gz TXMLOMZUFQVXQM-UHFFFAOYSA-N -1 1 319.369 0.317 20 0 DCADMM Cc1nc(N[C@H](C(N)=O)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001592376543 1167507461 /nfs/dbraw/zinc/50/74/61/1167507461.db2.gz DXPOQKIVHLWQAI-LBPRGKRZSA-N -1 1 310.321 0.604 20 0 DCADMM Cc1nc(N[C@H](C(N)=O)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001592376543 1167507468 /nfs/dbraw/zinc/50/74/68/1167507468.db2.gz DXPOQKIVHLWQAI-LBPRGKRZSA-N -1 1 310.321 0.604 20 0 DCADMM Cc1ncc(C=CC(=O)n2ncc(-c3nn[n-]n3)c2N)s1 ZINC001592408659 1167513892 /nfs/dbraw/zinc/51/38/92/1167513892.db2.gz WLCMCJNVMJBXRL-NSCUHMNNSA-N -1 1 302.323 0.764 20 0 DCADMM Cc1ncc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)s1 ZINC001592411295 1167514097 /nfs/dbraw/zinc/51/40/97/1167514097.db2.gz GQKMIAHOBTUZDE-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1ncc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)s1 ZINC001592411295 1167514098 /nfs/dbraw/zinc/51/40/98/1167514098.db2.gz GQKMIAHOBTUZDE-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1ncc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c(C)n1 ZINC001592407008 1167514167 /nfs/dbraw/zinc/51/41/67/1167514167.db2.gz YTHOUZKPPATLDX-UHFFFAOYSA-N -1 1 310.321 0.945 20 0 DCADMM Cc1ncc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c(C)n1 ZINC001592407008 1167514170 /nfs/dbraw/zinc/51/41/70/1167514170.db2.gz YTHOUZKPPATLDX-UHFFFAOYSA-N -1 1 310.321 0.945 20 0 DCADMM Cc1nc2ccnn2c(C)c1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592404573 1167515133 /nfs/dbraw/zinc/51/51/33/1167515133.db2.gz RTAXOWWCMKQAIJ-UHFFFAOYSA-N -1 1 324.308 0.502 20 0 DCADMM Cc1nc2ccnn2c(C)c1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592404573 1167515137 /nfs/dbraw/zinc/51/51/37/1167515137.db2.gz RTAXOWWCMKQAIJ-UHFFFAOYSA-N -1 1 324.308 0.502 20 0 DCADMM Cc1nc2ccccc2nc1Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001592403907 1167516136 /nfs/dbraw/zinc/51/61/36/1167516136.db2.gz ALNPVPDGVJCGMZ-UHFFFAOYSA-N -1 1 320.316 0.723 20 0 DCADMM Cc1ncccc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592426882 1167519454 /nfs/dbraw/zinc/51/94/54/1167519454.db2.gz XHNVWGFNLITKJE-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1ncccc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592426882 1167519456 /nfs/dbraw/zinc/51/94/56/1167519456.db2.gz XHNVWGFNLITKJE-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1nnc(Sc2nc(-c3nn[n-]n3)c(Cl)s2)n1N ZINC001592450255 1167528039 /nfs/dbraw/zinc/52/80/39/1167528039.db2.gz GOMQAMUAIGMEHG-UHFFFAOYSA-N -1 1 315.775 0.742 20 0 DCADMM Cc1noc(CNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)n1 ZINC001592461826 1167531186 /nfs/dbraw/zinc/53/11/86/1167531186.db2.gz CSRRNZDGMDJIBD-UHFFFAOYSA-N -1 1 324.304 0.969 20 0 DCADMM Cc1nsc(NC(=O)NC[C@@H](C)CCO)c1-c1nnn[n-]1 ZINC001592481221 1167535171 /nfs/dbraw/zinc/53/51/71/1167535171.db2.gz IWUSQHIUKYSDRC-LURJTMIESA-N -1 1 311.371 0.772 20 0 DCADMM Cc1nsc(NC(=O)NC[C@@H](C)CCO)c1-c1nn[n-]n1 ZINC001592481221 1167535177 /nfs/dbraw/zinc/53/51/77/1167535177.db2.gz IWUSQHIUKYSDRC-LURJTMIESA-N -1 1 311.371 0.772 20 0 DCADMM Cc1nsc(NC(=O)N[C@@](C)(CO)C2CC2)c1-c1nnn[n-]1 ZINC001592480904 1167535904 /nfs/dbraw/zinc/53/59/04/1167535904.db2.gz YMKBIXNNMDHUGO-LBPRGKRZSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)N[C@@](C)(CO)C2CC2)c1-c1nn[n-]n1 ZINC001592480904 1167535910 /nfs/dbraw/zinc/53/59/10/1167535910.db2.gz YMKBIXNNMDHUGO-LBPRGKRZSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NCc2n[nH]c(=O)n2C2CC2)c1-c1nn[n-]n1 ZINC001592493223 1167536492 /nfs/dbraw/zinc/53/64/92/1167536492.db2.gz SFYPCTATBQBQMO-UHFFFAOYSA-N -1 1 319.354 0.876 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2CO[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592481769 1167537376 /nfs/dbraw/zinc/53/73/76/1167537376.db2.gz VTUZIHOURSHHID-VDTYLAMSSA-N -1 1 309.355 0.931 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2CO[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592481769 1167537384 /nfs/dbraw/zinc/53/73/84/1167537384.db2.gz VTUZIHOURSHHID-VDTYLAMSSA-N -1 1 309.355 0.931 20 0 DCADMM Cc1nsc(N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)c1-c1nn[n-]n1 ZINC001592486475 1167538184 /nfs/dbraw/zinc/53/81/84/1167538184.db2.gz NOVIEEBTMYRSOJ-PSVAKVPMSA-N -1 1 310.383 0.708 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCCN(C)C1=O ZINC001592500860 1167540611 /nfs/dbraw/zinc/54/06/11/1167540611.db2.gz ZIRKVUMPZKMXRX-VIFPVBQESA-N -1 1 304.310 0.119 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCCN(C)C1=O ZINC001592500860 1167540615 /nfs/dbraw/zinc/54/06/15/1167540615.db2.gz ZIRKVUMPZKMXRX-VIFPVBQESA-N -1 1 304.310 0.119 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@]1(CCO)CCOC1 ZINC001592500117 1167541092 /nfs/dbraw/zinc/54/10/92/1167541092.db2.gz UQCARPJKPVCHKE-ZDUSSCGKSA-N -1 1 307.310 0.039 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@]1(CCO)CCOC1 ZINC001592500117 1167541098 /nfs/dbraw/zinc/54/10/98/1167541098.db2.gz UQCARPJKPVCHKE-ZDUSSCGKSA-N -1 1 307.310 0.039 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1CCNC(=O)CC1 ZINC001592503031 1167541584 /nfs/dbraw/zinc/54/15/84/1167541584.db2.gz ABLQSJIEKNHOOI-VIFPVBQESA-N -1 1 319.321 0.841 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1CCNC(=O)CC1 ZINC001592503031 1167541588 /nfs/dbraw/zinc/54/15/88/1167541588.db2.gz ABLQSJIEKNHOOI-VIFPVBQESA-N -1 1 319.321 0.841 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)CN1CCOCC1 ZINC001592500106 1167541897 /nfs/dbraw/zinc/54/18/97/1167541897.db2.gz UIZZQSLXXDIVAN-SECBINFHSA-N -1 1 320.353 0.219 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)CN1CCOCC1 ZINC001592500106 1167541902 /nfs/dbraw/zinc/54/19/02/1167541902.db2.gz UIZZQSLXXDIVAN-SECBINFHSA-N -1 1 320.353 0.219 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H]3COC[C@@]3(C)C2)c1-c1nnn[n-]1 ZINC001592515380 1167545501 /nfs/dbraw/zinc/54/55/01/1167545501.db2.gz DVPPGQKNEZJCDA-LKFCYVNXSA-N -1 1 318.337 0.201 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H]3COC[C@@]3(C)C2)c1-c1nn[n-]n1 ZINC001592515380 1167545509 /nfs/dbraw/zinc/54/55/09/1167545509.db2.gz DVPPGQKNEZJCDA-LKFCYVNXSA-N -1 1 318.337 0.201 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H](CCCO)C2)c1-c1nnn[n-]1 ZINC001592515826 1167546466 /nfs/dbraw/zinc/54/64/66/1167546466.db2.gz LZFIEYPGTXRHLF-JTQLQIEISA-N -1 1 320.353 0.327 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H](CCCO)C2)c1-c1nn[n-]n1 ZINC001592515826 1167546473 /nfs/dbraw/zinc/54/64/73/1167546473.db2.gz LZFIEYPGTXRHLF-JTQLQIEISA-N -1 1 320.353 0.327 20 0 DCADMM Cc1oncc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592517363 1167546643 /nfs/dbraw/zinc/54/66/43/1167546643.db2.gz LSKMAEGMYLIWTQ-UHFFFAOYSA-N -1 1 310.295 0.235 20 0 DCADMM Cc1onc(CC(=O)NC2CC3(CSC3)C2)c1-c1nnn[n-]1 ZINC001592517918 1167547498 /nfs/dbraw/zinc/54/74/98/1167547498.db2.gz XWBOPYXRLKXZKC-UHFFFAOYSA-N -1 1 320.378 0.717 20 0 DCADMM Cc1onc(CC(=O)NC2CC3(CSC3)C2)c1-c1nn[n-]n1 ZINC001592517918 1167547504 /nfs/dbraw/zinc/54/75/04/1167547504.db2.gz XWBOPYXRLKXZKC-UHFFFAOYSA-N -1 1 320.378 0.717 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2C[C@H]2C2CCC2)c(-c2nn[n-]n2)c1=O ZINC001592545260 1167549312 /nfs/dbraw/zinc/54/93/12/1167549312.db2.gz RUMKCMVQANDNSY-JGVFFNPUSA-N -1 1 303.326 0.267 20 0 DCADMM Cn1c(=O)[nH]c(N2CC[C@@H]2C2CCCC2)c(-c2nn[n-]n2)c1=O ZINC001592542841 1167549710 /nfs/dbraw/zinc/54/97/10/1167549710.db2.gz ALOGTEPQCUESNE-SECBINFHSA-N -1 1 317.353 0.023 20 0 DCADMM Cn1c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)nnc1C1CC1 ZINC001592555728 1167557514 /nfs/dbraw/zinc/55/75/14/1167557514.db2.gz QFEXEDYCQTZJEK-UHFFFAOYSA-N -1 1 311.309 0.520 20 0 DCADMM Cn1c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)nnc1C1CC1 ZINC001592555728 1167557522 /nfs/dbraw/zinc/55/75/22/1167557522.db2.gz QFEXEDYCQTZJEK-UHFFFAOYSA-N -1 1 311.309 0.520 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2COC3(CCC3)C2)n1 ZINC001592560015 1167560248 /nfs/dbraw/zinc/56/02/48/1167560248.db2.gz SPLLJGLXCDRUJM-MRVPVSSYSA-N -1 1 318.341 0.433 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2COC3(CCC3)C2)n1 ZINC001592560015 1167560254 /nfs/dbraw/zinc/56/02/54/1167560254.db2.gz SPLLJGLXCDRUJM-MRVPVSSYSA-N -1 1 318.341 0.433 20 0 DCADMM Cn1ccc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)n1 ZINC001592580448 1167568861 /nfs/dbraw/zinc/56/88/61/1167568861.db2.gz IHYWUQVIPYKDMF-UHFFFAOYSA-N -1 1 311.349 0.689 20 0 DCADMM FC(F)(F)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001592615311 1167587795 /nfs/dbraw/zinc/58/77/95/1167587795.db2.gz IGUMQQDVSBGMQO-MRVPVSSYSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)(F)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001592615311 1167587799 /nfs/dbraw/zinc/58/77/99/1167587799.db2.gz IGUMQQDVSBGMQO-MRVPVSSYSA-N -1 1 315.259 0.814 20 0 DCADMM Fc1cccnc1OCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592661475 1167592362 /nfs/dbraw/zinc/59/23/62/1167592362.db2.gz VMLGRYCTDSFELV-UHFFFAOYSA-N -1 1 302.273 0.104 20 0 DCADMM NC(=O)[C@@H](Cc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001592713670 1167609089 /nfs/dbraw/zinc/60/90/89/1167609089.db2.gz DAMPHUNPLYGIGV-SNVBAGLBSA-N -1 1 310.321 0.165 20 0 DCADMM NC(=O)[C@@H](Cc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001592713670 1167609093 /nfs/dbraw/zinc/60/90/93/1167609093.db2.gz DAMPHUNPLYGIGV-SNVBAGLBSA-N -1 1 310.321 0.165 20 0 DCADMM NC(=O)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001592720033 1167612194 /nfs/dbraw/zinc/61/21/94/1167612194.db2.gz FAHIEZBGJDRKEO-UHFFFAOYSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001592720033 1167612202 /nfs/dbraw/zinc/61/22/02/1167612202.db2.gz FAHIEZBGJDRKEO-UHFFFAOYSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@@H]1CCCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001592722582 1167613565 /nfs/dbraw/zinc/61/35/65/1167613565.db2.gz ZYGZKLXCNCPZNS-RKDXNWHRSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@@H]1CCCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001592722582 1167613569 /nfs/dbraw/zinc/61/35/69/1167613569.db2.gz ZYGZKLXCNCPZNS-RKDXNWHRSA-N -1 1 302.342 0.503 20 0 DCADMM NS(=O)(=O)c1cccc(N2CCC=C(F)C2)c1-c1nn[n-]n1 ZINC001592748911 1167629682 /nfs/dbraw/zinc/62/96/82/1167629682.db2.gz QQCGCYIQMZJUTN-UHFFFAOYSA-N -1 1 324.341 0.578 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1csc(C2CC2)n1 ZINC001592752902 1167631951 /nfs/dbraw/zinc/63/19/51/1167631951.db2.gz FOWGYPSCGHFDCQ-UHFFFAOYSA-N -1 1 316.350 0.862 20 0 DCADMM Nc1ccnc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001592760737 1167636206 /nfs/dbraw/zinc/63/62/06/1167636206.db2.gz RPYJZIXJIOJZJX-UHFFFAOYSA-N -1 1 301.335 0.835 20 0 DCADMM O=C(C=Cc1ccncn1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592802550 1167644619 /nfs/dbraw/zinc/64/46/19/1167644619.db2.gz VUESEHXQNBQZLH-ONEGZZNKSA-N -1 1 323.320 0.909 20 0 DCADMM O=C(C=Cc1cccnc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592799035 1167644956 /nfs/dbraw/zinc/64/49/56/1167644956.db2.gz IBWARIHMUQDXFC-ARJAWSKDSA-N -1 1 307.317 0.986 20 0 DCADMM O=C(C=Cc1cccnc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592799035 1167644960 /nfs/dbraw/zinc/64/49/60/1167644960.db2.gz IBWARIHMUQDXFC-ARJAWSKDSA-N -1 1 307.317 0.986 20 0 DCADMM O=C(CNC(=O)c1cccc(-c2nnn[n-]2)n1)Nc1cccnc1 ZINC001592870877 1167654259 /nfs/dbraw/zinc/65/42/59/1167654259.db2.gz OAYAYNMAJWADBC-UHFFFAOYSA-N -1 1 324.304 0.025 20 0 DCADMM O=C(CNC(=O)c1cccc(-c2nn[n-]n2)n1)Nc1cccnc1 ZINC001592870877 1167654261 /nfs/dbraw/zinc/65/42/61/1167654261.db2.gz OAYAYNMAJWADBC-UHFFFAOYSA-N -1 1 324.304 0.025 20 0 DCADMM O=C(CNc1ccnc(-c2nnn[n-]2)c1)N1CCc2ccccc21 ZINC001592878828 1167655100 /nfs/dbraw/zinc/65/51/00/1167655100.db2.gz UDMHLZTYFXRTNT-UHFFFAOYSA-N -1 1 321.344 0.685 20 0 DCADMM O=C(CNc1ccnc(-c2nn[n-]n2)c1)N1CCc2ccccc21 ZINC001592878828 1167655104 /nfs/dbraw/zinc/65/51/04/1167655104.db2.gz UDMHLZTYFXRTNT-UHFFFAOYSA-N -1 1 321.344 0.685 20 0 DCADMM O=C(COC1CCCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592884539 1167657150 /nfs/dbraw/zinc/65/71/50/1167657150.db2.gz HMGRUOLVLUSDIF-UHFFFAOYSA-N -1 1 302.338 0.837 20 0 DCADMM O=C(COC1CCCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592884539 1167657155 /nfs/dbraw/zinc/65/71/55/1167657155.db2.gz HMGRUOLVLUSDIF-UHFFFAOYSA-N -1 1 302.338 0.837 20 0 DCADMM O=C(COCC1CC1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592886765 1167657582 /nfs/dbraw/zinc/65/75/82/1167657582.db2.gz PJPSYLMLCWGLDB-UHFFFAOYSA-N -1 1 303.326 0.832 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC(F)(F)C(F)F ZINC001592914535 1167663323 /nfs/dbraw/zinc/66/33/23/1167663323.db2.gz BTUJVZAJZRFADU-UHFFFAOYSA-N -1 1 318.234 0.821 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC(F)(F)C(F)F ZINC001592914535 1167663325 /nfs/dbraw/zinc/66/33/25/1167663325.db2.gz BTUJVZAJZRFADU-UHFFFAOYSA-N -1 1 318.234 0.821 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)N1CCc2sccc2C1 ZINC001592936272 1167667640 /nfs/dbraw/zinc/66/76/40/1167667640.db2.gz KHNOEBWIDSZESF-UHFFFAOYSA-N -1 1 316.350 0.105 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCC2(CC2)C1 ZINC001592940270 1167669508 /nfs/dbraw/zinc/66/95/08/1167669508.db2.gz WJOQPBQEPOUMGG-SECBINFHSA-N -1 1 302.342 0.297 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)c1ccc2c(c1)CCO2 ZINC001592941763 1167670033 /nfs/dbraw/zinc/67/00/33/1167670033.db2.gz UWNCNSFCHRQHSL-UHFFFAOYSA-N -1 1 324.300 0.241 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1ccc(-c2nnn[n-]2)o1 ZINC001592954013 1167673454 /nfs/dbraw/zinc/67/34/54/1167673454.db2.gz BNKWMXPEMHOOPF-VIFPVBQESA-N -1 1 300.278 0.318 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1ccc(-c2nn[n-]n2)o1 ZINC001592954013 1167673459 /nfs/dbraw/zinc/67/34/59/1167673459.db2.gz BNKWMXPEMHOOPF-VIFPVBQESA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@H](O)c1cccnc1)c1csc(-c2nn[n-]n2)c1 ZINC001593013382 1167686427 /nfs/dbraw/zinc/68/64/27/1167686427.db2.gz BFVUUWPFMGTPQM-JTQLQIEISA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@H](O)c1cccnc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593013959 1167689408 /nfs/dbraw/zinc/68/94/08/1167689408.db2.gz QPGOVKZEXRIKCR-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NC[C@H](O)c1cccnc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593013959 1167689412 /nfs/dbraw/zinc/68/94/12/1167689412.db2.gz QPGOVKZEXRIKCR-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NCC[C@@H](O)C(F)(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001593057581 1167694372 /nfs/dbraw/zinc/69/43/72/1167694372.db2.gz VQQVQESBLTZDHD-MRVPVSSYSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(NCC[C@@H](O)C(F)(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001593057581 1167694376 /nfs/dbraw/zinc/69/43/76/1167694376.db2.gz VQQVQESBLTZDHD-MRVPVSSYSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(NCCNC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccco1 ZINC001593083178 1167700943 /nfs/dbraw/zinc/70/09/43/1167700943.db2.gz FTZFJFNAKCOMNP-UHFFFAOYSA-N -1 1 316.277 0.213 20 0 DCADMM O=C(NCCNC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccco1 ZINC001593083178 1167700953 /nfs/dbraw/zinc/70/09/53/1167700953.db2.gz FTZFJFNAKCOMNP-UHFFFAOYSA-N -1 1 316.277 0.213 20 0 DCADMM O=C(NCCOCC(F)F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593096710 1167706748 /nfs/dbraw/zinc/70/67/48/1167706748.db2.gz SOYWABUYMKYZLY-UHFFFAOYSA-N -1 1 313.268 0.665 20 0 DCADMM O=C(NCCOCC(F)F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593096710 1167706757 /nfs/dbraw/zinc/70/67/57/1167706757.db2.gz SOYWABUYMKYZLY-UHFFFAOYSA-N -1 1 313.268 0.665 20 0 DCADMM O=C(NCc1ccc2nonc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593140548 1167721245 /nfs/dbraw/zinc/72/12/45/1167721245.db2.gz IOTMRLMXJMHMAL-UHFFFAOYSA-N -1 1 322.288 0.728 20 0 DCADMM O=C(NCc1ccc2nonc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593140548 1167721252 /nfs/dbraw/zinc/72/12/52/1167721252.db2.gz IOTMRLMXJMHMAL-UHFFFAOYSA-N -1 1 322.288 0.728 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N1CC[C@@H](CF)C1 ZINC001593150158 1167726386 /nfs/dbraw/zinc/72/63/86/1167726386.db2.gz UJKYJEXGBMIGCQ-ZETCQYMHSA-N -1 1 311.346 0.824 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N1CC[C@@H](CF)C1 ZINC001593150158 1167726391 /nfs/dbraw/zinc/72/63/91/1167726391.db2.gz UJKYJEXGBMIGCQ-ZETCQYMHSA-N -1 1 311.346 0.824 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(-n2cccn2)nc1 ZINC001593197587 1167734115 /nfs/dbraw/zinc/73/41/15/1167734115.db2.gz MORQOBHDKWFLEF-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(-n2cccn2)nc1 ZINC001593197587 1167734123 /nfs/dbraw/zinc/73/41/23/1167734123.db2.gz MORQOBHDKWFLEF-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CC(=O)N(C2CC2)C1 ZINC001593244477 1167742788 /nfs/dbraw/zinc/74/27/88/1167742788.db2.gz YEIOZMTVMXVJLL-QMMMGPOBSA-N -1 1 313.321 0.211 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CC(=O)N(C2CC2)C1 ZINC001593244477 1167742792 /nfs/dbraw/zinc/74/27/92/1167742792.db2.gz YEIOZMTVMXVJLL-QMMMGPOBSA-N -1 1 313.321 0.211 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cn(CC2CC2)nn1 ZINC001593267650 1167750313 /nfs/dbraw/zinc/75/03/13/1167750313.db2.gz HXODJSYFTGCAIH-UHFFFAOYSA-N -1 1 317.338 0.577 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cn(CC2CC2)nn1 ZINC001593267650 1167750321 /nfs/dbraw/zinc/75/03/21/1167750321.db2.gz HXODJSYFTGCAIH-UHFFFAOYSA-N -1 1 317.338 0.577 20 0 DCADMM O=C(Nc1nnnn1C1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593269861 1167750429 /nfs/dbraw/zinc/75/04/29/1167750429.db2.gz QAEZRMPOJCQFED-UHFFFAOYSA-N -1 1 303.311 0.502 20 0 DCADMM O=C([O-])[C@@]1([NH2+]Cc2cccc(-c3nn[n-]n3)n2)CCSC1 ZINC001593274926 1167753199 /nfs/dbraw/zinc/75/31/99/1167753199.db2.gz RZBCTHMHWPDFQY-GFCCVEGCSA-N -1 1 306.351 0.312 20 0 DCADMM O=C(O[C@@H]1CCN(C2CC2)C1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593282148 1167758985 /nfs/dbraw/zinc/75/89/85/1167758985.db2.gz XADQAAJULRACIL-SECBINFHSA-N -1 1 303.278 0.380 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCSC[C@@H]1CO ZINC001593338099 1167778983 /nfs/dbraw/zinc/77/89/83/1167778983.db2.gz KRKFRRXBQMMEJT-ZETCQYMHSA-N -1 1 311.392 0.478 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCSC[C@@H]1CO ZINC001593338099 1167778992 /nfs/dbraw/zinc/77/89/92/1167778992.db2.gz KRKFRRXBQMMEJT-ZETCQYMHSA-N -1 1 311.392 0.478 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCn2nncc2C1 ZINC001593338283 1167779262 /nfs/dbraw/zinc/77/92/62/1167779262.db2.gz YIARUAWCOFZBEX-UHFFFAOYSA-N -1 1 302.323 0.176 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCn2nncc2C1 ZINC001593338283 1167779268 /nfs/dbraw/zinc/77/92/68/1167779268.db2.gz YIARUAWCOFZBEX-UHFFFAOYSA-N -1 1 302.323 0.176 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC(Oc2ccncc2)C1 ZINC001593340203 1167780877 /nfs/dbraw/zinc/78/08/77/1167780877.db2.gz FUHYQMPXIZMUIZ-UHFFFAOYSA-N -1 1 312.289 0.758 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC(Oc2ccncc2)C1 ZINC001593340203 1167780882 /nfs/dbraw/zinc/78/08/82/1167780882.db2.gz FUHYQMPXIZMUIZ-UHFFFAOYSA-N -1 1 312.289 0.758 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H]2COCC[C@H]21 ZINC001593359019 1167785380 /nfs/dbraw/zinc/78/53/80/1167785380.db2.gz SWKFHUUVIPNJRP-WCQYABFASA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H]2COCC[C@H]21 ZINC001593359019 1167785386 /nfs/dbraw/zinc/78/53/86/1167785386.db2.gz SWKFHUUVIPNJRP-WCQYABFASA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCOCC2(CC2)C1 ZINC001593349031 1167785399 /nfs/dbraw/zinc/78/53/99/1167785399.db2.gz WQHHAAOSJCHGQR-UHFFFAOYSA-N -1 1 300.322 0.514 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCOCC2(CC2)C1 ZINC001593349031 1167785406 /nfs/dbraw/zinc/78/54/06/1167785406.db2.gz WQHHAAOSJCHGQR-UHFFFAOYSA-N -1 1 300.322 0.514 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1c1cc[nH]n1 ZINC001593349152 1167785509 /nfs/dbraw/zinc/78/55/09/1167785509.db2.gz ZPJRAOXQXFTZFM-LBPRGKRZSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1c1cc[nH]n1 ZINC001593349152 1167785517 /nfs/dbraw/zinc/78/55/17/1167785517.db2.gz ZPJRAOXQXFTZFM-LBPRGKRZSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@@](O)(C2CC2)C1 ZINC001593362164 1167788680 /nfs/dbraw/zinc/78/86/80/1167788680.db2.gz JKGWGDRETCNSHA-ZDUSSCGKSA-N -1 1 305.363 0.915 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@@](O)(C2CC2)C1 ZINC001593362164 1167788686 /nfs/dbraw/zinc/78/86/86/1167788686.db2.gz JKGWGDRETCNSHA-ZDUSSCGKSA-N -1 1 305.363 0.915 20 0 DCADMM O=C1CCN(c2cnc(-c3nnn[n-]3)cn2)CCCCCCN1 ZINC001593394122 1167806871 /nfs/dbraw/zinc/80/68/71/1167806871.db2.gz GEVHQHYRCUSYLH-UHFFFAOYSA-N -1 1 316.369 0.543 20 0 DCADMM O=C1CCN(c2cnc(-c3nn[n-]n3)cn2)CCCCCCN1 ZINC001593394122 1167806877 /nfs/dbraw/zinc/80/68/77/1167806877.db2.gz GEVHQHYRCUSYLH-UHFFFAOYSA-N -1 1 316.369 0.543 20 0 DCADMM O=S(=O)(NC1CCCCC1)c1cccnc1-c1nn[n-]n1 ZINC001593434754 1167836665 /nfs/dbraw/zinc/83/66/65/1167836665.db2.gz LWHIRIZOKDDYTB-UHFFFAOYSA-N -1 1 308.367 0.873 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)o1)N1CCOCC12CC2 ZINC001593455169 1167844049 /nfs/dbraw/zinc/84/40/49/1167844049.db2.gz TZIOHXXVCYKVRW-UHFFFAOYSA-N -1 1 311.323 0.013 20 0 DCADMM O=S(=O)(Oc1cccnc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001593450262 1167846353 /nfs/dbraw/zinc/84/63/53/1167846353.db2.gz OJAIHNRJBIYZNX-UHFFFAOYSA-N -1 1 311.254 0.762 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@H]1C1CC1)c1cccnc1-c1nn[n-]n1 ZINC001593444254 1167846954 /nfs/dbraw/zinc/84/69/54/1167846954.db2.gz PNELEOQXJHHXSW-DTWKUNHWSA-N -1 1 306.351 0.339 20 0 DCADMM O=S1(=NCCNc2cc(-c3nnn[n-]3)ncn2)CCCC1 ZINC001593459497 1167848722 /nfs/dbraw/zinc/84/87/22/1167848722.db2.gz DUTJTDMPPLOEII-UHFFFAOYSA-N -1 1 308.371 0.330 20 0 DCADMM O=S1(=NCCNc2cc(-c3nn[n-]n3)ncn2)CCCC1 ZINC001593459497 1167848731 /nfs/dbraw/zinc/84/87/31/1167848731.db2.gz DUTJTDMPPLOEII-UHFFFAOYSA-N -1 1 308.371 0.330 20 0 DCADMM O=S1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001593466221 1167852924 /nfs/dbraw/zinc/85/29/24/1167852924.db2.gz FRITXRCVIYRWHV-UHFFFAOYSA-N -1 1 304.788 0.545 20 0 DCADMM O=S1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001593466221 1167852927 /nfs/dbraw/zinc/85/29/27/1167852927.db2.gz FRITXRCVIYRWHV-UHFFFAOYSA-N -1 1 304.788 0.545 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccccc1Cl ZINC001593489123 1167870908 /nfs/dbraw/zinc/87/09/08/1167870908.db2.gz AAIQKMGSHQUNQC-UHFFFAOYSA-N -1 1 304.697 0.831 20 0 DCADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CC1(CO)COC1 ZINC001593494625 1167876144 /nfs/dbraw/zinc/87/61/44/1167876144.db2.gz POCLCUMBUBNCNT-UHFFFAOYSA-N -1 1 313.317 0.191 20 0 DCADMM O=c1cc(Cn2ccc(-c3nn[n-]n3)cc2=O)nc(C2CC2)[nH]1 ZINC001593494402 1167877279 /nfs/dbraw/zinc/87/72/79/1167877279.db2.gz SKRJECKOMPVRNN-UHFFFAOYSA-N -1 1 311.305 0.450 20 0 DCADMM O=c1cc(COc2cnc(-c3nn[n-]n3)nc2)nc2ccccn12 ZINC001593495701 1167878946 /nfs/dbraw/zinc/87/89/46/1167878946.db2.gz QZGWXVAGUVIJFC-UHFFFAOYSA-N -1 1 322.288 0.244 20 0 DCADMM O[C@@H](COc1ccc(F)nc1-c1nn[n-]n1)CC1(O)CCCC1 ZINC001593508723 1167889851 /nfs/dbraw/zinc/88/98/51/1167889851.db2.gz XCMBRDHYEREFNP-SECBINFHSA-N -1 1 323.328 0.836 20 0 DCADMM O[C@H](COc1ccc(F)nc1-c1nn[n-]n1)CC1(O)CCCC1 ZINC001593508724 1167890415 /nfs/dbraw/zinc/89/04/15/1167890415.db2.gz XCMBRDHYEREFNP-VIFPVBQESA-N -1 1 323.328 0.836 20 0 DCADMM O[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]2CCCC[C@@H]12 ZINC001593519032 1167892261 /nfs/dbraw/zinc/89/22/61/1167892261.db2.gz HYZWDPVYIDDWOE-YUSALJHKSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]2CCCC[C@@H]12 ZINC001593519032 1167892264 /nfs/dbraw/zinc/89/22/64/1167892264.db2.gz HYZWDPVYIDDWOE-YUSALJHKSA-N -1 1 301.354 0.787 20 0 DCADMM OC[C@H](CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001593522181 1167897560 /nfs/dbraw/zinc/89/75/60/1167897560.db2.gz CMVITRBXLBEEDU-JTQLQIEISA-N -1 1 315.312 0.406 20 0 DCADMM OCCO[C@@H]1CCCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001593531871 1167913925 /nfs/dbraw/zinc/91/39/25/1167913925.db2.gz BKEHHQPSUBPXEE-SECBINFHSA-N -1 1 310.383 0.297 20 0 DCADMM O[C@@H]1COCC[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001593536064 1167916442 /nfs/dbraw/zinc/91/64/42/1167916442.db2.gz ANQIVUJFXKQOMT-RFZPGFLSSA-N -1 1 302.747 0.538 20 0 DCADMM c1cc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)nc(-c2nn[n-]n2)n1 ZINC001593558703 1167935355 /nfs/dbraw/zinc/93/53/55/1167935355.db2.gz PGXSXGIVBLWRON-KHQFGBGNSA-N -1 1 321.435 0.870 20 0 DCADMM c1cc(CN2CCOC[C@@H]2[C@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001593555462 1167935822 /nfs/dbraw/zinc/93/58/22/1167935822.db2.gz LMNJUIDYCCSWHB-ZIAGYGMSSA-N -1 1 316.365 0.642 20 0 DCADMM c1cc(NC2CCC3(CC2)OCCO3)nc(-c2nn[n-]n2)n1 ZINC001593557882 1167936705 /nfs/dbraw/zinc/93/67/05/1167936705.db2.gz AJIDXGRZTRDYRU-UHFFFAOYSA-N -1 1 303.326 0.176 20 0 DCADMM c1cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001593558492 1167938803 /nfs/dbraw/zinc/93/88/03/1167938803.db2.gz HAOFPBFNDZFLGH-QWHCGFSZSA-N -1 1 302.338 0.646 20 0 DCADMM c1cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001593558492 1167938810 /nfs/dbraw/zinc/93/88/10/1167938810.db2.gz HAOFPBFNDZFLGH-QWHCGFSZSA-N -1 1 302.338 0.646 20 0 DCADMM c1cn(Cc2ccccn2)nc1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001593575907 1167944857 /nfs/dbraw/zinc/94/48/57/1167944857.db2.gz BJSOJHRGESVVMX-UHFFFAOYSA-N -1 1 320.320 0.462 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCO[C@H]([C@H]3CCCO3)C2)n1 ZINC001593590001 1167951548 /nfs/dbraw/zinc/95/15/48/1167951548.db2.gz BKXAKQMPOZNGQV-MNOVXSKESA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCO[C@H]([C@H]3CCCO3)C2)n1 ZINC001593590001 1167951552 /nfs/dbraw/zinc/95/15/52/1167951552.db2.gz BKXAKQMPOZNGQV-MNOVXSKESA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCOC3(CCOCC3)CC2)n1 ZINC001593590296 1167954946 /nfs/dbraw/zinc/95/49/46/1167954946.db2.gz NMMQZNAOQYFFGC-UHFFFAOYSA-N -1 1 317.353 0.433 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCOC3(CCOCC3)CC2)n1 ZINC001593590296 1167954957 /nfs/dbraw/zinc/95/49/57/1167954957.db2.gz NMMQZNAOQYFFGC-UHFFFAOYSA-N -1 1 317.353 0.433 20 0 DCADMM c1sc(CN2CCC[C@H]2C2OCCO2)nc1-c1nnn[n-]1 ZINC001593596280 1167959400 /nfs/dbraw/zinc/95/94/00/1167959400.db2.gz SHTFCLDOCWQKMB-VIFPVBQESA-N -1 1 308.367 0.661 20 0 DCADMM c1sc(CN2CCC[C@H]2C2OCCO2)nc1-c1nn[n-]n1 ZINC001593596280 1167959412 /nfs/dbraw/zinc/95/94/12/1167959412.db2.gz SHTFCLDOCWQKMB-VIFPVBQESA-N -1 1 308.367 0.661 20 0 DCADMM COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc3cncn3c2)CCO1 ZINC001593981005 1167963834 /nfs/dbraw/zinc/96/38/34/1167963834.db2.gz VAVMVZZMKMUNII-OAHLLOKOSA-N -1 1 319.317 0.277 20 0 DCADMM CCn1cccc1C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001597911366 1168012821 /nfs/dbraw/zinc/01/28/21/1168012821.db2.gz USEIYCHDRSPODO-UHFFFAOYSA-N -1 1 322.409 0.282 20 0 DCADMM COC(=O)c1cccc2c1CCN(CCC(=O)NCC(=O)[O-])C2 ZINC001599000948 1168062378 /nfs/dbraw/zinc/06/23/78/1168062378.db2.gz LBNBZDUHTOJKSA-UHFFFAOYSA-N -1 1 320.345 0.422 20 0 DCADMM COC(=O)c1ccccc1CC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001599002334 1168064402 /nfs/dbraw/zinc/06/44/02/1168064402.db2.gz PHODNVWALBFHGR-UHFFFAOYSA-N -1 1 320.345 0.245 20 0 DCADMM Cc1cc(NC(=O)C(=O)NCCN2CCCCC2)c(C(=O)[O-])[nH]1 ZINC001600247587 1168148104 /nfs/dbraw/zinc/14/81/04/1168148104.db2.gz 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/nfs/dbraw/zinc/22/87/28/1169228728.db2.gz SQJFTUFXWKKESW-BDAKNGLRSA-N -1 1 302.342 0.468 20 0 DCADMM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1)N1CCCCCC1 ZINC001603153315 1169256343 /nfs/dbraw/zinc/25/63/43/1169256343.db2.gz IUSPOBITCNXDMV-WCQYABFASA-N -1 1 308.382 0.927 20 0 DCADMM CC(C)(COCC(F)F)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001603151479 1169257232 /nfs/dbraw/zinc/25/72/32/1169257232.db2.gz BMIBPXVCDAMCPT-UHFFFAOYSA-N -1 1 315.284 0.836 20 0 DCADMM CC(C)(COCC(F)F)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001603151479 1169257238 /nfs/dbraw/zinc/25/72/38/1169257238.db2.gz BMIBPXVCDAMCPT-UHFFFAOYSA-N -1 1 315.284 0.836 20 0 DCADMM C[C@H](C(=O)NCC1CCCCC1)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001603164522 1169263757 /nfs/dbraw/zinc/26/37/57/1169263757.db2.gz RBNFPKXFNSBWBR-BNOWGMLFSA-N -1 1 312.410 0.839 20 0 DCADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC001603166812 1169264115 /nfs/dbraw/zinc/26/41/15/1169264115.db2.gz OHFWBVVSVBQFRC-GWCFXTLKSA-N -1 1 320.345 0.796 20 0 DCADMM C[C@@H](NC(=O)[C@H](C)N1CCN(CC(=O)[O-])CC1)c1ccccc1 ZINC001603173721 1169267628 /nfs/dbraw/zinc/26/76/28/1169267628.db2.gz DMMYWPVAQLAJGL-KGLIPLIRSA-N -1 1 319.405 0.955 20 0 DCADMM CC(C)C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001603197053 1169271183 /nfs/dbraw/zinc/27/11/83/1169271183.db2.gz SEACFJNTUAXBOW-UHFFFAOYSA-N -1 1 304.358 0.255 20 0 DCADMM CC(C)C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001603197053 1169271190 /nfs/dbraw/zinc/27/11/90/1169271190.db2.gz SEACFJNTUAXBOW-UHFFFAOYSA-N -1 1 304.358 0.255 20 0 DCADMM CC(C)[C@@H](F)C(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001603225032 1169278180 /nfs/dbraw/zinc/27/81/80/1169278180.db2.gz JCDOLSNRZWQSIT-MRVPVSSYSA-N -1 1 308.321 0.179 20 0 DCADMM CC(C)[C@@H](F)C(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001603225032 1169278189 /nfs/dbraw/zinc/27/81/89/1169278189.db2.gz JCDOLSNRZWQSIT-MRVPVSSYSA-N -1 1 308.321 0.179 20 0 DCADMM CC(C)(C(=O)[O-])N1CCN(C(=O)C2(C(=O)NC3CC3)CC2)CC1 ZINC001603259064 1169285627 /nfs/dbraw/zinc/28/56/27/1169285627.db2.gz XCLHHYXUUMWWCG-UHFFFAOYSA-N -1 1 323.393 0.053 20 0 DCADMM C[C@H](CN1CCCC1=O)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603517725 1169317096 /nfs/dbraw/zinc/31/70/96/1169317096.db2.gz NNZVNKXKTQZVGJ-MRVPVSSYSA-N -1 1 304.310 0.200 20 0 DCADMM C[C@H](CN1CCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603517725 1169317100 /nfs/dbraw/zinc/31/71/00/1169317100.db2.gz NNZVNKXKTQZVGJ-MRVPVSSYSA-N -1 1 304.310 0.200 20 0 DCADMM C[C@@H](CNC(=O)C=C1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603528204 1169317592 /nfs/dbraw/zinc/31/75/92/1169317592.db2.gz MIHPOARWNBLULX-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H](CNC(=O)C=C1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603528204 1169317597 /nfs/dbraw/zinc/31/75/97/1169317597.db2.gz MIHPOARWNBLULX-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM CC(F)(F)CC(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001603594944 1169331421 /nfs/dbraw/zinc/33/14/21/1169331421.db2.gz WQPVDUJVWFNQQJ-UHFFFAOYSA-N -1 1 312.284 0.230 20 0 DCADMM CC(F)(F)CC(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001603594944 1169331429 /nfs/dbraw/zinc/33/14/29/1169331429.db2.gz WQPVDUJVWFNQQJ-UHFFFAOYSA-N -1 1 312.284 0.230 20 0 DCADMM CC(C)(O)[C@H]1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC001603689558 1169351971 /nfs/dbraw/zinc/35/19/71/1169351971.db2.gz MWQKRCDPXJNLNI-LBPRGKRZSA-N -1 1 312.410 0.983 20 0 DCADMM C[C@H](Oc1cccnc1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001603718397 1169371116 /nfs/dbraw/zinc/37/11/16/1169371116.db2.gz DKMLUEWJYHEABX-ZETCQYMHSA-N -1 1 300.282 0.391 20 0 DCADMM C[C@H](c1nc([C@H]2CCCO2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001603739808 1169374119 /nfs/dbraw/zinc/37/41/19/1169374119.db2.gz XPFQEPKSDVDCCL-RNFRBKRXSA-N -1 1 303.286 0.302 20 0 DCADMM C[C@H](c1nc(-c2ccon2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001603739629 1169374335 /nfs/dbraw/zinc/37/43/35/1169374335.db2.gz VHTNADOKJIHGDC-RXMQYKEDSA-N -1 1 300.242 0.106 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CC[C@@H](C2OCCO2)C1)C(=O)[O-] ZINC001603775172 1169386340 /nfs/dbraw/zinc/38/63/40/1169386340.db2.gz DTOPFPCDUDNLNU-NEPJUHHUSA-N -1 1 314.382 0.297 20 0 DCADMM CC1(C)CN(Cc2ccnc(-c3nn[n-]n3)c2)C[C@@H](CO)O1 ZINC001603785499 1169389222 /nfs/dbraw/zinc/38/92/22/1169389222.db2.gz BVJIKXVXHZRQPZ-NSHDSACASA-N -1 1 304.354 0.233 20 0 DCADMM CC1(CC(=O)NCCCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001603797198 1169395049 /nfs/dbraw/zinc/39/50/49/1169395049.db2.gz LZZIYJQJWRDKDG-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC1(CC(=O)NCCCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001603797198 1169395053 /nfs/dbraw/zinc/39/50/53/1169395053.db2.gz LZZIYJQJWRDKDG-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC(C)CN(Cc1nn[nH]n1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC001603814288 1169402187 /nfs/dbraw/zinc/40/21/87/1169402187.db2.gz AYIYLFHXLUCWKR-UHFFFAOYSA-N -1 1 304.310 0.591 20 0 DCADMM CC(C)CN1CCO[C@H](COC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC001603816384 1169402815 /nfs/dbraw/zinc/40/28/15/1169402815.db2.gz NWTSKIKSXSEFNE-RWMBFGLXSA-N -1 1 315.366 0.519 20 0 DCADMM C[C@H]1CC(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@H](C)C1 ZINC001603847366 1169410101 /nfs/dbraw/zinc/41/01/01/1169410101.db2.gz YLTDVMPWCVMWBE-HTQZYQBOSA-N -1 1 319.369 0.903 20 0 DCADMM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@H]1CO ZINC001603900739 1169427040 /nfs/dbraw/zinc/42/70/40/1169427040.db2.gz LDDFPQJGNQOGSC-PWSUYJOCSA-N -1 1 316.365 0.281 20 0 DCADMM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@H]1CO ZINC001603900739 1169427043 /nfs/dbraw/zinc/42/70/43/1169427043.db2.gz LDDFPQJGNQOGSC-PWSUYJOCSA-N -1 1 316.365 0.281 20 0 DCADMM CC(C)NC(=O)[C@@H]1CCCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001603901983 1169427184 /nfs/dbraw/zinc/42/71/84/1169427184.db2.gz UHBMGJRJZGLDIY-LLVKDONJSA-N -1 1 306.366 0.911 20 0 DCADMM C[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)n2)C[C@@H](C)S1(=O)=O ZINC001603935154 1169440249 /nfs/dbraw/zinc/44/02/49/1169440249.db2.gz FCVDKXRWBDHKMG-NXEZZACHSA-N -1 1 322.394 0.269 20 0 DCADMM C[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)C[C@@H](C)S1(=O)=O ZINC001603935154 1169440256 /nfs/dbraw/zinc/44/02/56/1169440256.db2.gz FCVDKXRWBDHKMG-NXEZZACHSA-N -1 1 322.394 0.269 20 0 DCADMM CCC(=O)N1CC[C@@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001603967867 1169456927 /nfs/dbraw/zinc/45/69/27/1169456927.db2.gz RHOUAQYORWEKCA-SECBINFHSA-N -1 1 315.337 0.459 20 0 DCADMM CCC(=O)N1CC[C@@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001603967867 1169456930 /nfs/dbraw/zinc/45/69/30/1169456930.db2.gz RHOUAQYORWEKCA-SECBINFHSA-N -1 1 315.337 0.459 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001603970871 1169458258 /nfs/dbraw/zinc/45/82/58/1169458258.db2.gz HPPKPHZINDRTDV-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001603970871 1169458263 /nfs/dbraw/zinc/45/82/63/1169458263.db2.gz HPPKPHZINDRTDV-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(C)(C)[C@H](C)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001603983179 1169463888 /nfs/dbraw/zinc/46/38/88/1169463888.db2.gz MYKHOOKFZZHNOT-VIFPVBQESA-N -1 1 321.389 0.582 20 0 DCADMM CC/C(C)=C\C(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001603990220 1169464808 /nfs/dbraw/zinc/46/48/08/1169464808.db2.gz JLYHHWMEMIZKJO-HJWRWDBZSA-N -1 1 302.342 0.541 20 0 DCADMM CC/C(C)=C\C(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001603990220 1169464813 /nfs/dbraw/zinc/46/48/13/1169464813.db2.gz JLYHHWMEMIZKJO-HJWRWDBZSA-N -1 1 302.342 0.541 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001603994758 1169465075 /nfs/dbraw/zinc/46/50/75/1169465075.db2.gz HNPVQZUDZMLYMI-BDAKNGLRSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001603994758 1169465079 /nfs/dbraw/zinc/46/50/79/1169465079.db2.gz HNPVQZUDZMLYMI-BDAKNGLRSA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)c1ncncc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001604020704 1169472633 /nfs/dbraw/zinc/47/26/33/1169472633.db2.gz OVCJRIJJTNCKNK-NSHDSACASA-N -1 1 303.322 0.749 20 0 DCADMM CC[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC001604041090 1169477301 /nfs/dbraw/zinc/47/73/01/1169477301.db2.gz XPTOQLZCDFRROB-SECBINFHSA-N -1 1 319.369 0.858 20 0 DCADMM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)[C@@H](C)O ZINC001604048368 1169478254 /nfs/dbraw/zinc/47/82/54/1169478254.db2.gz XPRMTPZWIBORLX-VXNVDRBHSA-N -1 1 310.383 0.887 20 0 DCADMM CC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(C)(C)O ZINC001604047597 1169479568 /nfs/dbraw/zinc/47/95/68/1169479568.db2.gz NBXNXOLKECDPPD-NSHDSACASA-N -1 1 304.354 0.470 20 0 DCADMM CC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(C)(C)O ZINC001604047597 1169479571 /nfs/dbraw/zinc/47/95/71/1169479571.db2.gz NBXNXOLKECDPPD-NSHDSACASA-N -1 1 304.354 0.470 20 0 DCADMM C[C@@](CC(=O)[O-])(NC(=O)Cc1nnc[nH]1)c1cccc(F)c1 ZINC001604079303 1169487707 /nfs/dbraw/zinc/48/77/07/1169487707.db2.gz YGZLTVYTXWBTTK-AWEZNQCLSA-N -1 1 306.297 0.993 20 0 DCADMM CCC1(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)COC1 ZINC001604085963 1169488188 /nfs/dbraw/zinc/48/81/88/1169488188.db2.gz DJIVYYGEQBRLQD-UHFFFAOYSA-N -1 1 318.337 0.432 20 0 DCADMM CC[C@H]1CCC[C@H]1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001604098381 1169492386 /nfs/dbraw/zinc/49/23/86/1169492386.db2.gz CORNJVQSHOUAJE-VHSXEESVSA-N -1 1 319.373 0.336 20 0 DCADMM CC[C@@H]1CCCCN1C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001604102356 1169492437 /nfs/dbraw/zinc/49/24/37/1169492437.db2.gz BKFUYVSVZDKJLN-GFCCVEGCSA-N -1 1 316.365 0.820 20 0 DCADMM CC[C@@H]1CCC[C@]1(C)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001604099992 1169492475 /nfs/dbraw/zinc/49/24/75/1169492475.db2.gz OKMLKHAFWQAMPT-YGRLFVJLSA-N -1 1 318.385 0.791 20 0 DCADMM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@]2(CCOC2)O1 ZINC001604111209 1169495826 /nfs/dbraw/zinc/49/58/26/1169495826.db2.gz BQPUAIHGTFLXFP-YGRLFVJLSA-N -1 1 317.353 0.431 20 0 DCADMM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@]2(CCOC2)O1 ZINC001604111209 1169495831 /nfs/dbraw/zinc/49/58/31/1169495831.db2.gz BQPUAIHGTFLXFP-YGRLFVJLSA-N -1 1 317.353 0.431 20 0 DCADMM CC[C@H]1COCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001604116625 1169498333 /nfs/dbraw/zinc/49/83/33/1169498333.db2.gz SCZITWIUUZHQKI-VIFPVBQESA-N -1 1 318.337 0.527 20 0 DCADMM CCCC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001604126283 1169499767 /nfs/dbraw/zinc/49/97/67/1169499767.db2.gz JBVKQFVAONMPNF-UHFFFAOYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001604126283 1169499772 /nfs/dbraw/zinc/49/97/72/1169499772.db2.gz JBVKQFVAONMPNF-UHFFFAOYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N(CC)CCNc1nccnc1-c1nnn[n-]1 ZINC001604120123 1169500860 /nfs/dbraw/zinc/50/08/60/1169500860.db2.gz QAGGNDFGYGAGSX-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCCC(=O)N(CC)CCNc1nccnc1-c1nn[n-]n1 ZINC001604120123 1169500861 /nfs/dbraw/zinc/50/08/61/1169500861.db2.gz QAGGNDFGYGAGSX-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])nc1)N(C)C1CC1 ZINC001604191578 1169519353 /nfs/dbraw/zinc/51/93/53/1169519353.db2.gz PWOMPHSHSKHEJR-SECBINFHSA-N -1 1 313.379 0.541 20 0 DCADMM CCCn1ncc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1C ZINC001604252177 1169534664 /nfs/dbraw/zinc/53/46/64/1169534664.db2.gz ICIFQYPXFZLGNM-UHFFFAOYSA-N -1 1 301.314 0.249 20 0 DCADMM C[C@H](N[C@H]1CCO[C@H]1C(=O)[O-])C(=O)c1c[nH]c2ncccc12 ZINC001604361662 1169569471 /nfs/dbraw/zinc/56/94/71/1169569471.db2.gz AWVKBGHVZJHALE-LJUAHTATSA-N -1 1 303.318 0.966 20 0 DCADMM CCOC(=O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001604369615 1169570987 /nfs/dbraw/zinc/57/09/87/1169570987.db2.gz FLENMFWYDZKQSM-SECBINFHSA-N -1 1 303.326 0.355 20 0 DCADMM CCOC(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001604369615 1169570991 /nfs/dbraw/zinc/57/09/91/1169570991.db2.gz FLENMFWYDZKQSM-SECBINFHSA-N -1 1 303.326 0.355 20 0 DCADMM CCOC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001604366155 1169571436 /nfs/dbraw/zinc/57/14/36/1169571436.db2.gz SHBZKOYMJMVPFA-NSHDSACASA-N -1 1 316.321 0.333 20 0 DCADMM CCOC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001604366155 1169571444 /nfs/dbraw/zinc/57/14/44/1169571444.db2.gz SHBZKOYMJMVPFA-NSHDSACASA-N -1 1 316.321 0.333 20 0 DCADMM CCOC(=O)C[C@H](C)CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001604370901 1169573674 /nfs/dbraw/zinc/57/36/74/1169573674.db2.gz HYYJZPGUACBOAJ-QMMMGPOBSA-N -1 1 305.342 0.966 20 0 DCADMM CCOC(=O)C[C@H](C)CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001604370901 1169573677 /nfs/dbraw/zinc/57/36/77/1169573677.db2.gz HYYJZPGUACBOAJ-QMMMGPOBSA-N -1 1 305.342 0.966 20 0 DCADMM CCOC(=O)N1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001604377959 1169574812 /nfs/dbraw/zinc/57/48/12/1169574812.db2.gz DHHSXCZCZJOARG-UHFFFAOYSA-N -1 1 323.382 0.597 20 0 DCADMM CCOC(=O)N1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001604377959 1169574832 /nfs/dbraw/zinc/57/48/32/1169574832.db2.gz DHHSXCZCZJOARG-UHFFFAOYSA-N -1 1 323.382 0.597 20 0 DCADMM CCOC(=O)C[C@@H](O)CSc1cccnc1-c1nnn[n-]1 ZINC001604375151 1169575760 /nfs/dbraw/zinc/57/57/60/1169575760.db2.gz MWZURGNNVDPWSQ-MRVPVSSYSA-N -1 1 309.351 0.668 20 0 DCADMM CCOC(=O)C[C@@H](O)CSc1cccnc1-c1nn[n-]n1 ZINC001604375151 1169575766 /nfs/dbraw/zinc/57/57/66/1169575766.db2.gz MWZURGNNVDPWSQ-MRVPVSSYSA-N -1 1 309.351 0.668 20 0 DCADMM CCOC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001604379791 1169577478 /nfs/dbraw/zinc/57/74/78/1169577478.db2.gz UJGKDHXESDAHAJ-MRVPVSSYSA-N -1 1 304.314 0.299 20 0 DCADMM CCOC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001604379791 1169577486 /nfs/dbraw/zinc/57/74/86/1169577486.db2.gz UJGKDHXESDAHAJ-MRVPVSSYSA-N -1 1 304.314 0.299 20 0 DCADMM CCOC(=O)c1cnn(Cc2nnc(C)s2)c1-c1nn[n-]n1 ZINC001604391190 1169579682 /nfs/dbraw/zinc/57/96/82/1169579682.db2.gz VBDUSMIUIDIKGN-UHFFFAOYSA-N -1 1 320.338 0.448 20 0 DCADMM CCOC(=O)c1cnn(Cc2oc(C)nc2C)c1-c1nn[n-]n1 ZINC001604391136 1169579986 /nfs/dbraw/zinc/57/99/86/1169579986.db2.gz SNWCJGMZOSVDNU-UHFFFAOYSA-N -1 1 317.309 0.893 20 0 DCADMM CCOC(=O)c1cnn(Cc2cccnc2C)c1-c1nn[n-]n1 ZINC001604391381 1169581794 /nfs/dbraw/zinc/58/17/94/1169581794.db2.gz ZEWVMLLMIAIWAX-UHFFFAOYSA-N -1 1 313.321 0.992 20 0 DCADMM CCO[C@H](C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC001604394664 1169581864 /nfs/dbraw/zinc/58/18/64/1169581864.db2.gz AFARQSITTXFNHN-SCZZXKLOSA-N -1 1 321.341 0.278 20 0 DCADMM CCO[C@@H]1[C@H](C)[C@H]1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001604405774 1169584116 /nfs/dbraw/zinc/58/41/16/1169584116.db2.gz MWQNYJXOIWIAPC-AVPPRXQKSA-N -1 1 318.337 0.880 20 0 DCADMM CCOC[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001604421153 1169590610 /nfs/dbraw/zinc/59/06/10/1169590610.db2.gz DYYPDTZTHBAVCS-UWVGGRQHSA-N -1 1 322.373 0.197 20 0 DCADMM CCOCCO[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001604434874 1169591883 /nfs/dbraw/zinc/59/18/83/1169591883.db2.gz RMFUFDBZSKKBSB-LBPRGKRZSA-N -1 1 304.354 0.894 20 0 DCADMM CCOCCO[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001604434874 1169591889 /nfs/dbraw/zinc/59/18/89/1169591889.db2.gz RMFUFDBZSKKBSB-LBPRGKRZSA-N -1 1 304.354 0.894 20 0 DCADMM CCOc1cncc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001604469695 1169598588 /nfs/dbraw/zinc/59/85/88/1169598588.db2.gz GBCFGSZVYOBKEN-UHFFFAOYSA-N -1 1 312.293 0.703 20 0 DCADMM CCOc1cncc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001604469695 1169598593 /nfs/dbraw/zinc/59/85/93/1169598593.db2.gz GBCFGSZVYOBKEN-UHFFFAOYSA-N -1 1 312.293 0.703 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(-n2c(Cl)cncc2=O)n1 ZINC001604542822 1169612826 /nfs/dbraw/zinc/61/28/26/1169612826.db2.gz JZYPNHLJJMPPMB-UHFFFAOYSA-N -1 1 304.701 0.418 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(-n2c(Cl)cncc2=O)n1 ZINC001604542822 1169612830 /nfs/dbraw/zinc/61/28/30/1169612830.db2.gz JZYPNHLJJMPPMB-UHFFFAOYSA-N -1 1 304.701 0.418 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(CC)C(=O)C2)n1 ZINC001604543785 1169613150 /nfs/dbraw/zinc/61/31/50/1169613150.db2.gz QMPSOTUFKGJGFF-UHFFFAOYSA-N -1 1 316.369 0.278 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(CC)C(=O)C2)n1 ZINC001604543785 1169613156 /nfs/dbraw/zinc/61/31/56/1169613156.db2.gz QMPSOTUFKGJGFF-UHFFFAOYSA-N -1 1 316.369 0.278 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCOC[C@@H]2C[C@@H](C)O)n1 ZINC001604547506 1169614438 /nfs/dbraw/zinc/61/44/38/1169614438.db2.gz OJQKNJFIWRQUDZ-ZJUUUORDSA-N -1 1 319.369 0.195 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCOC[C@@H]2C[C@@H](C)O)n1 ZINC001604547506 1169614451 /nfs/dbraw/zinc/61/44/51/1169614451.db2.gz OJQKNJFIWRQUDZ-ZJUUUORDSA-N -1 1 319.369 0.195 20 0 DCADMM CC1(C)CNCCN1S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001604546178 1169614808 /nfs/dbraw/zinc/61/48/08/1169614808.db2.gz HDLLRDXDHLCPPV-UHFFFAOYSA-N -1 1 316.354 0.896 20 0 DCADMM CC1(NCc2csnn2)CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001604598780 1169626303 /nfs/dbraw/zinc/62/63/03/1169626303.db2.gz YKFGBAAGMXEWOT-QWRGUYRKSA-N -1 1 324.406 0.730 20 0 DCADMM CCn1nnc(C)c1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001604624576 1169635771 /nfs/dbraw/zinc/63/57/71/1169635771.db2.gz ZJXMBGQOXXLKPB-UHFFFAOYSA-N -1 1 305.371 0.533 20 0 DCADMM CCn1nnc(C)c1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001604624576 1169635775 /nfs/dbraw/zinc/63/57/75/1169635775.db2.gz ZJXMBGQOXXLKPB-UHFFFAOYSA-N -1 1 305.371 0.533 20 0 DCADMM C[C@H]1[C@H](Nc2ncc(C(=O)[O-])cn2)CCN1C(=O)c1ccn[nH]1 ZINC001604647128 1169642192 /nfs/dbraw/zinc/64/21/92/1169642192.db2.gz VKJDICMIKAFMBT-WCBMZHEXSA-N -1 1 316.321 0.613 20 0 DCADMM CN(C)C(=O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001604668724 1169646656 /nfs/dbraw/zinc/64/66/56/1169646656.db2.gz ZYXNGORXJYDQMH-UHFFFAOYSA-N -1 1 315.259 0.781 20 0 DCADMM CN(C)C(=O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001604668724 1169646663 /nfs/dbraw/zinc/64/66/63/1169646663.db2.gz ZYXNGORXJYDQMH-UHFFFAOYSA-N -1 1 315.259 0.781 20 0 DCADMM CN(C)C(=O)CC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001604666592 1169647249 /nfs/dbraw/zinc/64/72/49/1169647249.db2.gz MHLWCNDUYBRUTP-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(C)C(=O)CC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001604666592 1169647252 /nfs/dbraw/zinc/64/72/52/1169647252.db2.gz MHLWCNDUYBRUTP-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(C)C(=O)NCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001604671030 1169648328 /nfs/dbraw/zinc/64/83/28/1169648328.db2.gz PKGQERQWKHHEQU-UHFFFAOYSA-N -1 1 316.778 0.660 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC(CC(=O)[O-])C2)CN1C1CC1 ZINC001604672374 1169650513 /nfs/dbraw/zinc/65/05/13/1169650513.db2.gz KKVFZFLTEZBZAC-WNYYMSAVSA-N -1 1 323.393 0.097 20 0 DCADMM CN(C1CC(O)C1)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001604706186 1169660366 /nfs/dbraw/zinc/66/03/66/1169660366.db2.gz LKLUDJOSIVXRDB-UHFFFAOYSA-N -1 1 315.380 0.072 20 0 DCADMM CN(CC1CCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001604729054 1169664563 /nfs/dbraw/zinc/66/45/63/1169664563.db2.gz MOQAFNBVDMYXFC-UHFFFAOYSA-N -1 1 308.367 0.682 20 0 DCADMM CN(CC1CCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001604729054 1169664564 /nfs/dbraw/zinc/66/45/64/1169664564.db2.gz MOQAFNBVDMYXFC-UHFFFAOYSA-N -1 1 308.367 0.682 20 0 DCADMM CN(C[C@H]1CCCCO1)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001604729435 1169664737 /nfs/dbraw/zinc/66/47/37/1169664737.db2.gz SXBOLCNCWVVSOT-LLVKDONJSA-N -1 1 304.354 0.487 20 0 DCADMM C[C@@H]1CCCN(CCNS(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001604738797 1169666287 /nfs/dbraw/zinc/66/62/87/1169666287.db2.gz UKDLGZSBLCCGSW-LLVKDONJSA-N -1 1 306.428 0.749 20 0 DCADMM CN(C[C@H]1COCCO1)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001604735814 1169666317 /nfs/dbraw/zinc/66/63/17/1169666317.db2.gz GOZPPYUJMJTYSF-JTQLQIEISA-N -1 1 317.353 0.386 20 0 DCADMM CN(C[C@H]1COCCO1)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001604735814 1169666318 /nfs/dbraw/zinc/66/63/18/1169666318.db2.gz GOZPPYUJMJTYSF-JTQLQIEISA-N -1 1 317.353 0.386 20 0 DCADMM CN(CCNC(=O)C1CC=CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001604765656 1169674055 /nfs/dbraw/zinc/67/40/55/1169674055.db2.gz MDPPGSHYUNPLLV-UHFFFAOYSA-N -1 1 314.353 0.175 20 0 DCADMM CN(CCNC(=O)C1CC=CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001604765656 1169674068 /nfs/dbraw/zinc/67/40/68/1169674068.db2.gz MDPPGSHYUNPLLV-UHFFFAOYSA-N -1 1 314.353 0.175 20 0 DCADMM C[C@H]1CN(C(=O)CCCC(=O)N(C)C)CCN1CCC(=O)[O-] ZINC001604771176 1169676992 /nfs/dbraw/zinc/67/69/92/1169676992.db2.gz LXIOUIZZROYUNQ-LBPRGKRZSA-N -1 1 313.398 0.252 20 0 DCADMM CNC(=O)C1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001604876675 1169725991 /nfs/dbraw/zinc/72/59/91/1169725991.db2.gz QXEVVCCXQZXZGS-UHFFFAOYSA-N -1 1 301.354 0.533 20 0 DCADMM 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1170081196 /nfs/dbraw/zinc/08/11/96/1170081196.db2.gz QNZWYXCZHSWGIG-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC001606167806 1170101604 /nfs/dbraw/zinc/10/16/04/1170101604.db2.gz XOZUGJLGSQDNDY-ZJUUUORDSA-N -1 1 321.337 0.143 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC001606167806 1170101609 /nfs/dbraw/zinc/10/16/09/1170101609.db2.gz XOZUGJLGSQDNDY-ZJUUUORDSA-N -1 1 321.337 0.143 20 0 DCADMM Cc1oc(NC(=O)CN2CC=C[C@H]2CO)c(-c2nn[n-]n2)c1C ZINC001606174873 1170102180 /nfs/dbraw/zinc/10/21/80/1170102180.db2.gz OGCCJAHRHAJRPS-JTQLQIEISA-N -1 1 318.337 0.248 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCN1CCO[C@H](C)C1 ZINC001606170615 1170102499 /nfs/dbraw/zinc/10/24/99/1170102499.db2.gz KOPPWDDLSNOEKH-SECBINFHSA-N -1 1 321.337 0.646 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCN1CCO[C@H](C)C1 ZINC001606170615 1170102502 /nfs/dbraw/zinc/10/25/02/1170102502.db2.gz KOPPWDDLSNOEKH-SECBINFHSA-N -1 1 321.337 0.646 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2COC(C)(C)C2)c1-c1nnn[n-]1 ZINC001606179831 1170103869 /nfs/dbraw/zinc/10/38/69/1170103869.db2.gz JWQDLPMDUAOLBG-QMMMGPOBSA-N -1 1 306.326 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2COC(C)(C)C2)c1-c1nn[n-]n1 ZINC001606179831 1170103875 /nfs/dbraw/zinc/10/38/75/1170103875.db2.gz JWQDLPMDUAOLBG-QMMMGPOBSA-N -1 1 306.326 0.389 20 0 DCADMM CN1C[C@H](NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C(C)(C)C1 ZINC001606203620 1170110867 /nfs/dbraw/zinc/11/08/67/1170110867.db2.gz WEJUATGEXZSJHY-UTUOFQBUSA-N -1 1 318.439 0.889 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@]2(C)CCCCO2)c(-c2nn[n-]n2)c1=O ZINC001606205901 1170112409 /nfs/dbraw/zinc/11/24/09/1170112409.db2.gz MMOQDXGGJBXKBI-ZDUSSCGKSA-N -1 1 321.341 0.037 20 0 DCADMM Cn1c(=O)[nH]c(NC(C)(C)C(F)F)c(-c2nn[n-]n2)c1=O ZINC001606205887 1170113146 /nfs/dbraw/zinc/11/31/46/1170113146.db2.gz LMYAUZUHOKCFGW-UHFFFAOYSA-N -1 1 301.257 0.122 20 0 DCADMM CN1CCN(C2CN(C(=O)c3cc(F)cc(C(=O)[O-])c3)C2)CC1 ZINC001606239326 1170132884 /nfs/dbraw/zinc/13/28/84/1170132884.db2.gz NLWCABVQGUSUSZ-UHFFFAOYSA-N -1 1 321.352 0.596 20 0 DCADMM Cn1ccnc1CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606256445 1170137889 /nfs/dbraw/zinc/13/78/89/1170137889.db2.gz NWKPZLQLQPPRKW-UHFFFAOYSA-N -1 1 319.354 0.056 20 0 DCADMM Cn1ccnc1CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606256445 1170137892 /nfs/dbraw/zinc/13/78/92/1170137892.db2.gz NWKPZLQLQPPRKW-UHFFFAOYSA-N -1 1 319.354 0.056 20 0 DCADMM Cn1nc(C2CC2)nc1Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001606268746 1170142429 /nfs/dbraw/zinc/14/24/29/1170142429.db2.gz USSHFBRDLLVNOQ-UHFFFAOYSA-N -1 1 310.325 0.370 20 0 DCADMM CNC(=O)CN[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001606272687 1170143910 /nfs/dbraw/zinc/14/39/10/1170143910.db2.gz DFFGEEIHNXDLBF-INIZCTEOSA-N -1 1 305.378 0.441 20 0 DCADMM CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001606277881 1170145321 /nfs/dbraw/zinc/14/53/21/1170145321.db2.gz HEWSTVLFSXADGT-ZBEGNZNMSA-N -1 1 319.361 0.559 20 0 DCADMM CO/C(=C/c1ccccc1)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001606314925 1170156988 /nfs/dbraw/zinc/15/69/88/1170156988.db2.gz DCOPBFVGWRZPJN-SDNWHVSQSA-N -1 1 304.346 0.903 20 0 DCADMM COC(=O)C1CCN(C(=O)[C@H](C)N[C@H](C(=O)[O-])C2CC2)CC1 ZINC001606405717 1170186656 /nfs/dbraw/zinc/18/66/56/1170186656.db2.gz WWVOZWCSDPYBMC-CABZTGNLSA-N -1 1 312.366 0.239 20 0 DCADMM COC(=O)[C@@H]1CCN(Cc2cnn(CCF)c2)[C@H](C(=O)[O-])C1 ZINC001606413972 1170191483 /nfs/dbraw/zinc/19/14/83/1170191483.db2.gz KJMYAUPCPYJPOD-NEPJUHHUSA-N -1 1 313.329 0.691 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=CCOC1CCOCC1 ZINC001606445474 1170204653 /nfs/dbraw/zinc/20/46/53/1170204653.db2.gz WTVCARDEHDROKA-UPHRSURJSA-N -1 1 319.325 0.037 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001606444808 1170204719 /nfs/dbraw/zinc/20/47/19/1170204719.db2.gz BIEAFBBVTAFOMK-ADEWGFFLSA-N -1 1 307.317 0.872 20 0 DCADMM COC(=O)CC[C@@H](C(=O)OC)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001606448094 1170206859 /nfs/dbraw/zinc/20/68/59/1170206859.db2.gz CRQDVMCZCCVDRD-MXWKQRLJSA-N -1 1 301.339 0.524 20 0 DCADMM O=C(C=C1CCC1)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001606478025 1170217647 /nfs/dbraw/zinc/21/76/47/1170217647.db2.gz BJXRLVPEVMXYJA-UHFFFAOYSA-N -1 1 300.326 0.295 20 0 DCADMM O=C(C=C1CCC1)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001606478025 1170217652 /nfs/dbraw/zinc/21/76/52/1170217652.db2.gz BJXRLVPEVMXYJA-UHFFFAOYSA-N -1 1 300.326 0.295 20 0 DCADMM O=C(CC1(O)CCC1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606491499 1170220152 /nfs/dbraw/zinc/22/01/52/1170220152.db2.gz BUKFPDNQPCOFRF-UHFFFAOYSA-N -1 1 303.326 0.711 20 0 DCADMM COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001606501626 1170221060 /nfs/dbraw/zinc/22/10/60/1170221060.db2.gz GVEUYLZUQJHGIM-SNVBAGLBSA-N -1 1 319.273 0.645 20 0 DCADMM O=C(CCCF)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001606518399 1170226805 /nfs/dbraw/zinc/22/68/05/1170226805.db2.gz ZBJGNBWWEDMUAA-UHFFFAOYSA-N -1 1 320.332 0.467 20 0 DCADMM O=C(CCCF)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001606518399 1170226810 /nfs/dbraw/zinc/22/68/10/1170226810.db2.gz ZBJGNBWWEDMUAA-UHFFFAOYSA-N -1 1 320.332 0.467 20 0 DCADMM O=C(CCc1ccncn1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606534291 1170229039 /nfs/dbraw/zinc/22/90/39/1170229039.db2.gz FGDMVBMJQBCKJZ-UHFFFAOYSA-N -1 1 311.305 0.934 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@@H]1CC[C@@H](O)C1 ZINC001606594782 1170238834 /nfs/dbraw/zinc/23/88/34/1170238834.db2.gz MDVPUNQPTLZWJZ-MWLCHTKSSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@@H]1CC[C@@H](O)C1 ZINC001606594782 1170238836 /nfs/dbraw/zinc/23/88/36/1170238836.db2.gz MDVPUNQPTLZWJZ-MWLCHTKSSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)c1ccc(Cl)cc1 ZINC001606623495 1170247222 /nfs/dbraw/zinc/24/72/22/1170247222.db2.gz OKVUJFGLJMKVJM-UHFFFAOYSA-N -1 1 316.708 0.960 20 0 DCADMM O=C(N[C@H]1CCC[C@@H]1CCO)c1ccc(-c2nnn[n-]2)nc1 ZINC001606667202 1170256100 /nfs/dbraw/zinc/25/61/00/1170256100.db2.gz JSRPYPJHQUDMMK-KOLCDFICSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CCC[C@@H]1CCO)c1ccc(-c2nn[n-]n2)nc1 ZINC001606667202 1170256101 /nfs/dbraw/zinc/25/61/01/1170256101.db2.gz JSRPYPJHQUDMMK-KOLCDFICSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1)C1CC1 ZINC001606678520 1170260425 /nfs/dbraw/zinc/26/04/25/1170260425.db2.gz YMQLVGAQEFFESI-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1)C1CC1 ZINC001606678520 1170260426 /nfs/dbraw/zinc/26/04/26/1170260426.db2.gz YMQLVGAQEFFESI-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC[C@H](O)c1cncs1)c1ccc(-c2nnn[n-]2)o1 ZINC001606704549 1170267296 /nfs/dbraw/zinc/26/72/96/1170267296.db2.gz IVRXCOSTDQYFSW-LURJTMIESA-N -1 1 306.307 0.380 20 0 DCADMM O=C(NC[C@H](O)c1cncs1)c1ccc(-c2nn[n-]n2)o1 ZINC001606704549 1170267299 /nfs/dbraw/zinc/26/72/99/1170267299.db2.gz IVRXCOSTDQYFSW-LURJTMIESA-N -1 1 306.307 0.380 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)N1CCSCC1 ZINC001606842373 1170308966 /nfs/dbraw/zinc/30/89/66/1170308966.db2.gz QQXKLKXJNVFHHX-UHFFFAOYSA-N -1 1 305.367 0.520 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)N1CCSCC1 ZINC001606842373 1170308970 /nfs/dbraw/zinc/30/89/70/1170308970.db2.gz QQXKLKXJNVFHHX-UHFFFAOYSA-N -1 1 305.367 0.520 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001606887504 1170322746 /nfs/dbraw/zinc/32/27/46/1170322746.db2.gz ITSXLGQLMODKJA-KYZUINATSA-N -1 1 300.326 0.126 20 0 DCADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001606887504 1170322751 /nfs/dbraw/zinc/32/27/51/1170322751.db2.gz ITSXLGQLMODKJA-KYZUINATSA-N -1 1 300.326 0.126 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc(-c2cccnc2)on1 ZINC001606893172 1170323950 /nfs/dbraw/zinc/32/39/50/1170323950.db2.gz IONYGQTZXFIQOM-UHFFFAOYSA-N -1 1 323.276 0.892 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc(-c2cccnc2)on1 ZINC001606893172 1170323957 /nfs/dbraw/zinc/32/39/57/1170323957.db2.gz IONYGQTZXFIQOM-UHFFFAOYSA-N -1 1 323.276 0.892 20 0 DCADMM COCCNCC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001606896112 1170326353 /nfs/dbraw/zinc/32/63/53/1170326353.db2.gz FJXFLULLEJQAOX-UHFFFAOYSA-N -1 1 306.322 0.295 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CCCCNC1=O ZINC001606933438 1170334493 /nfs/dbraw/zinc/33/44/93/1170334493.db2.gz LUQKSRVIZGJDAQ-SECBINFHSA-N -1 1 316.325 0.052 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CCCCNC1=O ZINC001606933438 1170334501 /nfs/dbraw/zinc/33/45/01/1170334501.db2.gz LUQKSRVIZGJDAQ-SECBINFHSA-N -1 1 316.325 0.052 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCC12OCCO2 ZINC001606953509 1170337128 /nfs/dbraw/zinc/33/71/28/1170337128.db2.gz UTKISZCCOOUOGE-SSDOTTSWSA-N -1 1 322.350 0.805 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCC12OCCO2 ZINC001606953509 1170337136 /nfs/dbraw/zinc/33/71/36/1170337136.db2.gz UTKISZCCOOUOGE-SSDOTTSWSA-N -1 1 322.350 0.805 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCc2n[nH]cc2C1 ZINC001606953565 1170339130 /nfs/dbraw/zinc/33/91/30/1170339130.db2.gz ULZCHSWCQWBPTG-ZCFIWIBFSA-N -1 1 316.350 0.790 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCc2n[nH]cc2C1 ZINC001606953565 1170339133 /nfs/dbraw/zinc/33/91/33/1170339133.db2.gz ULZCHSWCQWBPTG-ZCFIWIBFSA-N -1 1 316.350 0.790 20 0 DCADMM O=C(O[C@@H]1CCCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001606963433 1170340989 /nfs/dbraw/zinc/34/09/89/1170340989.db2.gz WYAYBLWABVFXGR-SSDOTTSWSA-N -1 1 312.307 0.194 20 0 DCADMM O=C(OC[C@H]1CCCCNC1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001606967785 1170341688 /nfs/dbraw/zinc/34/16/88/1170341688.db2.gz QBFUIZNLQLCBRZ-SNVBAGLBSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(OC[C@H]1CCCCNC1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001606967785 1170341692 /nfs/dbraw/zinc/34/16/92/1170341692.db2.gz QBFUIZNLQLCBRZ-SNVBAGLBSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnn(CCF)c1 ZINC001606983050 1170346019 /nfs/dbraw/zinc/34/60/19/1170346019.db2.gz XHUMNGYSBNCMMY-UHFFFAOYSA-N -1 1 317.284 0.785 20 0 DCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnn(CCF)c1 ZINC001606983050 1170346025 /nfs/dbraw/zinc/34/60/25/1170346025.db2.gz XHUMNGYSBNCMMY-UHFFFAOYSA-N -1 1 317.284 0.785 20 0 DCADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1(n2cccn2)CC1 ZINC001606985542 1170346273 /nfs/dbraw/zinc/34/62/73/1170346273.db2.gz QVXQBAIXUYLVRG-UHFFFAOYSA-N -1 1 317.334 0.752 20 0 DCADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1(n2cccn2)CC1 ZINC001606985542 1170346279 /nfs/dbraw/zinc/34/62/79/1170346279.db2.gz QVXQBAIXUYLVRG-UHFFFAOYSA-N -1 1 317.334 0.752 20 0 DCADMM CO[C@]12CCC[C@@]1(C(=O)N1CCN(CC(=O)[O-])CC1)CCO2 ZINC001607004581 1170351017 /nfs/dbraw/zinc/35/10/17/1170351017.db2.gz JFJNBMVQVVAYOV-GJZGRUSLSA-N -1 1 312.366 0.149 20 0 DCADMM COc1c(C(=O)[O-])ncnc1N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC001607010811 1170353030 /nfs/dbraw/zinc/35/30/30/1170353030.db2.gz CGLOAZSDXLTXMZ-JTQLQIEISA-N -1 1 324.381 0.465 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCOc2ncccc2C1 ZINC001607017616 1170355242 /nfs/dbraw/zinc/35/52/42/1170355242.db2.gz ZBKNBVLAWZXAFF-UHFFFAOYSA-N -1 1 312.289 0.890 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCOc2ncccc2C1 ZINC001607017616 1170355246 /nfs/dbraw/zinc/35/52/46/1170355246.db2.gz ZBKNBVLAWZXAFF-UHFFFAOYSA-N -1 1 312.289 0.890 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCOc2ccncc21 ZINC001607025887 1170357743 /nfs/dbraw/zinc/35/77/43/1170357743.db2.gz OOVZLGBRZCFVNP-UHFFFAOYSA-N -1 1 309.289 0.696 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCOc2ccncc21 ZINC001607025887 1170357748 /nfs/dbraw/zinc/35/77/48/1170357748.db2.gz OOVZLGBRZCFVNP-UHFFFAOYSA-N -1 1 309.289 0.696 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@]12CCOC2=O ZINC001607021752 1170359024 /nfs/dbraw/zinc/35/90/24/1170359024.db2.gz ACLUFFZPKKJQHY-CQSZACIVSA-N -1 1 314.305 0.183 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@]12CCOC2=O ZINC001607021752 1170359026 /nfs/dbraw/zinc/35/90/26/1170359026.db2.gz ACLUFFZPKKJQHY-CQSZACIVSA-N -1 1 314.305 0.183 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@](F)(CO)C1 ZINC001607022421 1170359232 /nfs/dbraw/zinc/35/92/32/1170359232.db2.gz PYUOJGSXPVVBPA-CYBMUJFWSA-N -1 1 309.276 0.552 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@](F)(CO)C1 ZINC001607022421 1170359239 /nfs/dbraw/zinc/35/92/39/1170359239.db2.gz PYUOJGSXPVVBPA-CYBMUJFWSA-N -1 1 309.276 0.552 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCn2nncc2C1 ZINC001607032098 1170360911 /nfs/dbraw/zinc/36/09/11/1170360911.db2.gz RYBVHACFQQHESH-UHFFFAOYSA-N -1 1 316.350 0.566 20 0 DCADMM O=C1CNC(=O)N1CCSc1cccc(F)c1-c1nn[n-]n1 ZINC001607047656 1170367930 /nfs/dbraw/zinc/36/79/30/1170367930.db2.gz BZPUEVLMUTXYDL-UHFFFAOYSA-N -1 1 322.325 0.650 20 0 DCADMM O=C(C[C@@H]1CCCC(=O)N1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001607045078 1170368398 /nfs/dbraw/zinc/36/83/98/1170368398.db2.gz TYMSZXKUCNWCTA-QMMMGPOBSA-N -1 1 305.294 0.562 20 0 DCADMM O=C(C[C@@H]1CCCC(=O)N1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001607045078 1170368404 /nfs/dbraw/zinc/36/84/04/1170368404.db2.gz TYMSZXKUCNWCTA-QMMMGPOBSA-N -1 1 305.294 0.562 20 0 DCADMM O=C1NCC2(CCN(c3cccc(-c4nnn[n-]4)n3)CC2)O1 ZINC001607050012 1170370745 /nfs/dbraw/zinc/37/07/45/1170370745.db2.gz LSPAFQSONYIVSX-UHFFFAOYSA-N -1 1 301.310 0.341 20 0 DCADMM O=C1NCC2(CCN(c3cccc(-c4nn[n-]n4)n3)CC2)O1 ZINC001607050012 1170370749 /nfs/dbraw/zinc/37/07/49/1170370749.db2.gz LSPAFQSONYIVSX-UHFFFAOYSA-N -1 1 301.310 0.341 20 0 DCADMM O=C1OCC[C@H]1N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001607055180 1170374926 /nfs/dbraw/zinc/37/49/26/1170374926.db2.gz ZLTHEQULQOBWQQ-SNVBAGLBSA-N -1 1 320.378 0.366 20 0 DCADMM O=S(=O)(NC[C@H]1C=CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001607061387 1170376453 /nfs/dbraw/zinc/37/64/53/1170376453.db2.gz FKZBQRUBILSJIS-VIFPVBQESA-N -1 1 306.351 0.506 20 0 DCADMM O=S(=O)(NC[C@H]1C=CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001607061387 1170376457 /nfs/dbraw/zinc/37/64/57/1170376457.db2.gz FKZBQRUBILSJIS-VIFPVBQESA-N -1 1 306.351 0.506 20 0 DCADMM O=S(=O)(NC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001607064130 1170376857 /nfs/dbraw/zinc/37/68/57/1170376857.db2.gz SMBZMHQEPZDLCZ-SSDOTTSWSA-N -1 1 315.380 0.243 20 0 DCADMM O=S(=O)(NC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001607064130 1170376861 /nfs/dbraw/zinc/37/68/61/1170376861.db2.gz SMBZMHQEPZDLCZ-SSDOTTSWSA-N -1 1 315.380 0.243 20 0 DCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC2(CC2)C1 ZINC001607072370 1170378591 /nfs/dbraw/zinc/37/85/91/1170378591.db2.gz KVLLUEXGSNGGOD-UHFFFAOYSA-N -1 1 309.326 0.790 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)c(F)c1)N1C[C@@H]2C[C@@H]2C1 ZINC001607069920 1170378715 /nfs/dbraw/zinc/37/87/15/1170378715.db2.gz JULFAWGJTHNEAD-OCAPTIKFSA-N -1 1 309.326 0.646 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@H]1CCCC2(CCC2)O1 ZINC001607088631 1170386298 /nfs/dbraw/zinc/38/62/98/1170386298.db2.gz PZADIJZZTBATNC-SECBINFHSA-N -1 1 318.337 0.621 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1nnc(C2CC2)n1C1CC1 ZINC001607091086 1170389184 /nfs/dbraw/zinc/38/91/84/1170389184.db2.gz GJJVZBDMJSUVSX-UHFFFAOYSA-N -1 1 324.348 0.881 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1CCOc1ccc(F)cc1 ZINC001607091155 1170389793 /nfs/dbraw/zinc/38/97/93/1170389793.db2.gz JSUSYXFMBFONFL-UHFFFAOYSA-N -1 1 302.269 0.642 20 0 DCADMM O=c1cc(C=Cc2ccc(F)c(-c3nn[nH]n3)c2)nc2nc[n-]n21 ZINC001607091465 1170389883 /nfs/dbraw/zinc/38/98/83/1170389883.db2.gz OCXJVGORRMRAJE-HNQUOIGGSA-N -1 1 324.279 0.907 20 0 DCADMM O[C@H](CCC1(O)CCC1)COc1cccnc1-c1nnn[n-]1 ZINC001607091559 1170390783 /nfs/dbraw/zinc/39/07/83/1170390783.db2.gz IUJNEUZZSDAVOI-SNVBAGLBSA-N -1 1 305.338 0.697 20 0 DCADMM O[C@H](CCC1(O)CCC1)COc1cccnc1-c1nn[n-]n1 ZINC001607091559 1170390788 /nfs/dbraw/zinc/39/07/88/1170390788.db2.gz IUJNEUZZSDAVOI-SNVBAGLBSA-N -1 1 305.338 0.697 20 0 DCADMM O[C@@H](CC[C@H](O)c1ccccc1)Cn1cc(-c2nn[n-]n2)nn1 ZINC001607092164 1170390875 /nfs/dbraw/zinc/39/08/75/1170390875.db2.gz SNTVCWKHYFDLGJ-AAEUAGOBSA-N -1 1 315.337 0.333 20 0 DCADMM O[C@H](CNc1cncc(-c2nnn[n-]2)n1)Cc1cccc(F)c1 ZINC001607096303 1170392816 /nfs/dbraw/zinc/39/28/16/1170392816.db2.gz FEVVHHAYYKAYMS-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1cncc(-c2nn[n-]n2)n1)Cc1cccc(F)c1 ZINC001607096303 1170392822 /nfs/dbraw/zinc/39/28/22/1170392822.db2.gz FEVVHHAYYKAYMS-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H]1C[C@@H](c2ccccc2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001607100158 1170394520 /nfs/dbraw/zinc/39/45/20/1170394520.db2.gz FIBDWCZUNUEVJH-AAEUAGOBSA-N -1 1 309.333 0.969 20 0 DCADMM O[C@H]1C[C@@H](c2ccccc2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001607100158 1170394525 /nfs/dbraw/zinc/39/45/25/1170394525.db2.gz FIBDWCZUNUEVJH-AAEUAGOBSA-N -1 1 309.333 0.969 20 0 DCADMM OC[C@@]1(O)CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001607104584 1170399469 /nfs/dbraw/zinc/39/94/69/1170399469.db2.gz LNIUHQBRKNHKPZ-SNVBAGLBSA-N -1 1 316.774 0.300 20 0 DCADMM OCCCN(CCO)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001607107200 1170399981 /nfs/dbraw/zinc/39/99/81/1170399981.db2.gz DOSKLWOCJUNOFQ-UHFFFAOYSA-N -1 1 304.763 0.158 20 0 DCADMM O[C@H](CNc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001607109398 1170402297 /nfs/dbraw/zinc/40/22/97/1170402297.db2.gz PHTNHBZCPHKMCX-CYBMUJFWSA-N -1 1 300.297 0.968 20 0 DCADMM O[C@H](CNc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001607109398 1170402298 /nfs/dbraw/zinc/40/22/98/1170402298.db2.gz PHTNHBZCPHKMCX-CYBMUJFWSA-N -1 1 300.297 0.968 20 0 DCADMM c1nn(C[C@@H]2CCCO2)cc1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001607120999 1170405061 /nfs/dbraw/zinc/40/50/61/1170405061.db2.gz AUNWWTZGQYYDBG-JTQLQIEISA-N -1 1 313.325 0.198 20 0 DCADMM c1cc(NC[C@H]2CC3(CO2)CCOCC3)cc(-c2nnn[n-]2)n1 ZINC001607120543 1170405163 /nfs/dbraw/zinc/40/51/63/1170405163.db2.gz BKMVOBRWHQPVRY-GFCCVEGCSA-N -1 1 316.365 0.681 20 0 DCADMM c1cc(NC[C@H]2CC3(CO2)CCOCC3)cc(-c2nn[n-]n2)n1 ZINC001607120543 1170405167 /nfs/dbraw/zinc/40/51/67/1170405167.db2.gz BKMVOBRWHQPVRY-GFCCVEGCSA-N -1 1 316.365 0.681 20 0 DCADMM c1cc(O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)ccn1 ZINC001607125745 1170406596 /nfs/dbraw/zinc/40/65/96/1170406596.db2.gz ORXDSPSSONMJQG-LLVKDONJSA-N -1 1 310.321 0.709 20 0 DCADMM c1cnn([C@H]2CCN(Cc3nc(-c4nn[n-]n4)cs3)C2)c1 ZINC001607135454 1170407781 /nfs/dbraw/zinc/40/77/81/1170407781.db2.gz 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COC(=O)c1c(OCCO)n[n-]c1NC(=O)c1cnccc1C ZINC001420986157 1003204503 /nfs/dbraw/zinc/20/45/03/1003204503.db2.gz IBCKWKOXBXUAAX-UHFFFAOYSA-N -1 1 320.305 0.523 20 0 DCADMM Cc1ccn(C)c1C(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C(C)C ZINC001406014895 1003265742 /nfs/dbraw/zinc/26/57/42/1003265742.db2.gz FSERWXWYEMNVNC-LLVKDONJSA-N -1 1 320.397 0.701 20 0 DCADMM CN(CCN1CCCCC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573873062 1163574075 /nfs/dbraw/zinc/57/40/75/1163574075.db2.gz UFVXLEXWSFTFKV-UHFFFAOYSA-N -1 1 316.383 0.214 20 0 DCADMM CCc1cnc(CNC[C@H](O)CNC(=O)c2ncccc2[O-])o1 ZINC001406226166 1003498391 /nfs/dbraw/zinc/49/83/91/1003498391.db2.gz YOBRRRVWVMDPTP-JTQLQIEISA-N -1 1 320.349 0.218 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCC[C@@]12CCOC2 ZINC001472395822 1016793045 /nfs/dbraw/zinc/79/30/45/1016793045.db2.gz CKUBHPLDBLQMCQ-AWEZNQCLSA-N -1 1 309.322 0.682 20 0 DCADMM CN(C[C@H](O)CNC(=O)c1ncccc1[O-])C(=O)c1ccco1 ZINC001428147869 1003726678 /nfs/dbraw/zinc/72/66/78/1003726678.db2.gz LFGCIRRKSJBSCF-SNVBAGLBSA-N -1 1 319.317 0.243 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)Cn1cccn1 ZINC001426614467 1003910639 /nfs/dbraw/zinc/91/06/39/1003910639.db2.gz FYLDOKUOWDYHCM-LLVKDONJSA-N -1 1 317.349 0.261 20 0 DCADMM Cc1c(C(=O)N[C@@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)ccn1C ZINC001406650131 1003966106 /nfs/dbraw/zinc/96/61/06/1003966106.db2.gz CPJZGJKMGQORJQ-JTQLQIEISA-N -1 1 320.397 0.006 20 0 DCADMM COC[C@@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001426767714 1004022233 /nfs/dbraw/zinc/02/22/33/1004022233.db2.gz ZIYAENPSFNZKJO-VXGBXAGGSA-N -1 1 321.377 0.743 20 0 DCADMM Cc1noc(C)c1C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001406742587 1004049127 /nfs/dbraw/zinc/04/91/27/1004049127.db2.gz PDIHTRAYVMAYAU-SNVBAGLBSA-N -1 1 320.353 0.413 20 0 DCADMM CC(C)[C@@H](O)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001427028682 1004173421 /nfs/dbraw/zinc/17/34/21/1004173421.db2.gz CFOZXXNVXHQEJW-UHIISALHSA-N -1 1 321.377 0.523 20 0 DCADMM CC(C)OCC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001429073029 1004367172 /nfs/dbraw/zinc/36/71/72/1004367172.db2.gz RRFKPFFOCJPMKY-TXEJJXNPSA-N -1 1 321.377 0.837 20 0 DCADMM CN(CCNC(=O)C[C@@H]1CCCCO1)C(=O)c1ncccc1[O-] ZINC001429207705 1004454673 /nfs/dbraw/zinc/45/46/73/1004454673.db2.gz RMKUOXFBIJOPKU-LBPRGKRZSA-N -1 1 321.377 0.935 20 0 DCADMM CCC[C@H](C)C(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001407190846 1004458357 /nfs/dbraw/zinc/45/83/57/1004458357.db2.gz DMWIOVUCFRPQRS-NHYWBVRUSA-N -1 1 309.414 0.625 20 0 DCADMM CC(C)[C@@H](O)C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001407202165 1004465650 /nfs/dbraw/zinc/46/56/50/1004465650.db2.gz KJYAQCWZUZVZBN-SMDDNHRTSA-N -1 1 321.377 0.477 20 0 DCADMM O=C(NCC1(O)CN(CC[C@H]2CCCO2)C1)c1ncccc1[O-] ZINC001407405282 1004630094 /nfs/dbraw/zinc/63/00/94/1004630094.db2.gz JHMJCGGIXMZZGG-GFCCVEGCSA-N -1 1 321.377 0.133 20 0 DCADMM CC(C)OCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001429514795 1004641885 /nfs/dbraw/zinc/64/18/85/1004641885.db2.gz LLOMVTFJCLAYND-LLVKDONJSA-N -1 1 307.350 0.543 20 0 DCADMM O=C(NC[C@H](NC(=O)c1cnn[nH]1)C1CC1)c1ccsn1 ZINC001427945881 1004699125 /nfs/dbraw/zinc/69/91/25/1004699125.db2.gz DMWAPEIFCZDQDX-VIFPVBQESA-N -1 1 306.351 0.200 20 0 DCADMM CC(=O)CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001407854719 1004903187 /nfs/dbraw/zinc/90/31/87/1004903187.db2.gz KOCJWSGERWCUQK-TXEJJXNPSA-N -1 1 319.361 0.924 20 0 DCADMM O=S(=O)([N-][C@H]1CCO[C@@]2(CCOC2)C1)c1c[nH]nc1Cl ZINC001414240377 1005263464 /nfs/dbraw/zinc/26/34/64/1005263464.db2.gz IAMKROCJOJAOAI-KWQFWETISA-N -1 1 321.786 0.680 20 0 DCADMM CC(C)(C)OC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1ccns1 ZINC001414251384 1005266308 /nfs/dbraw/zinc/26/63/08/1005266308.db2.gz ZTXNLDYQFBOOKV-LLVKDONJSA-N -1 1 322.408 0.514 20 0 DCADMM CSC[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H]1C ZINC001414326249 1005287723 /nfs/dbraw/zinc/28/77/23/1005287723.db2.gz UHIZGZWICQNMRP-AEJSXWLSSA-N -1 1 311.411 0.523 20 0 DCADMM COC(=O)C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(C)onc2N)C1 ZINC001414372833 1005302191 /nfs/dbraw/zinc/30/21/91/1005302191.db2.gz ZVCMYXNEERHVKU-BDAKNGLRSA-N -1 1 317.367 0.575 20 0 DCADMM COC(=O)CC1CC(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC001414439303 1005324522 /nfs/dbraw/zinc/32/45/22/1005324522.db2.gz QMVFCVQAIKYXPZ-UHFFFAOYSA-N -1 1 317.349 0.805 20 0 DCADMM CO[C@H](C)[C@H](C)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001414713207 1005387959 /nfs/dbraw/zinc/38/79/59/1005387959.db2.gz OQCCHWGSWLIUJN-DTWKUNHWSA-N -1 1 310.354 0.478 20 0 DCADMM CCCC(=O)N[C@@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001414758584 1005396402 /nfs/dbraw/zinc/39/64/02/1005396402.db2.gz AEZLMQOKTQFURP-MRVPVSSYSA-N -1 1 324.337 0.027 20 0 DCADMM C[C@@H](CNC(=O)[C@H](C)n1cccn1)NC(=O)c1ncccc1[O-] ZINC001415119554 1005461796 /nfs/dbraw/zinc/46/17/96/1005461796.db2.gz IBRLIVHDFWAOCQ-QWRGUYRKSA-N -1 1 317.349 0.479 20 0 DCADMM CCc1nc(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])co1 ZINC001415143171 1005468385 /nfs/dbraw/zinc/46/83/85/1005468385.db2.gz IMKGBDMVVLKSHA-VIFPVBQESA-N -1 1 318.333 0.886 20 0 DCADMM COC(=O)[C@]12C[C@H]1CCCN2Cc1nc2c(c(=O)[n-]1)COCC2 ZINC001473819208 1016973075 /nfs/dbraw/zinc/97/30/75/1016973075.db2.gz SUTQRWRCTTVCPR-HWPZZCPQSA-N -1 1 319.361 0.782 20 0 DCADMM CCO[C@H](CC)C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001415477857 1005540081 /nfs/dbraw/zinc/54/00/81/1005540081.db2.gz VDOADCUIJOUQDB-GFCCVEGCSA-N -1 1 309.366 0.791 20 0 DCADMM Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001415477743 1005540129 /nfs/dbraw/zinc/54/01/29/1005540129.db2.gz RAGQBMGYOBGLNM-UHFFFAOYSA-N -1 1 319.321 0.026 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CCCCO1 ZINC001415665136 1005588606 /nfs/dbraw/zinc/58/86/06/1005588606.db2.gz SFZWMPQWEUMUEH-ZDUSSCGKSA-N -1 1 321.377 0.935 20 0 DCADMM CCO[C@H](CC)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001415980454 1005640397 /nfs/dbraw/zinc/64/03/97/1005640397.db2.gz MIWGDVBXLNCGPF-GFCCVEGCSA-N -1 1 307.350 0.543 20 0 DCADMM C[C@@H](CNC(=O)CC1(O)CCC1)CNC(=O)c1ncccc1[O-] ZINC001416457052 1005701311 /nfs/dbraw/zinc/70/13/11/1005701311.db2.gz MSUIILWKDIERSB-NSHDSACASA-N -1 1 321.377 0.574 20 0 DCADMM C[C@@H](CNC(=O)c1cncnc1)NC(=O)c1ncccc1[O-] ZINC001416888327 1005753992 /nfs/dbraw/zinc/75/39/92/1005753992.db2.gz UDVWDSUCMPYNMR-VIFPVBQESA-N -1 1 301.306 0.126 20 0 DCADMM Cc1cc(C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)[nH]n1 ZINC001417123486 1005788349 /nfs/dbraw/zinc/78/83/49/1005788349.db2.gz PQAYDNBQODRKHT-UHFFFAOYSA-N -1 1 315.333 0.511 20 0 DCADMM Cc1nc(C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)co1 ZINC001417124021 1005788358 /nfs/dbraw/zinc/78/83/58/1005788358.db2.gz VACFVRMXWWDHNS-UHFFFAOYSA-N -1 1 316.317 0.776 20 0 DCADMM Cc1nc(C(=O)NCC2(NC(=O)c3ncccc3[O-])CC2)co1 ZINC001417125626 1005788780 /nfs/dbraw/zinc/78/87/80/1005788780.db2.gz ANARZKDJBOYHQY-UHFFFAOYSA-N -1 1 316.317 0.776 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCCN1C(=O)Cc2ccccc21 ZINC001417627165 1005854561 /nfs/dbraw/zinc/85/45/61/1005854561.db2.gz DGTDDCSRFCJXHG-UHFFFAOYSA-N -1 1 314.349 0.228 20 0 DCADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H]1CCCNC1=O ZINC001417635863 1005856787 /nfs/dbraw/zinc/85/67/87/1005856787.db2.gz JUOWYWOTETZNSK-SNVBAGLBSA-N -1 1 306.366 0.870 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)CCc2nn[n-]n2)C(=O)N1c1ccccc1 ZINC001417653161 1005861397 /nfs/dbraw/zinc/86/13/97/1005861397.db2.gz IWBKDWSORRTNOP-CMPLNLGQSA-N -1 1 314.349 0.443 20 0 DCADMM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(F)c([O-])c1 ZINC001417664469 1005863044 /nfs/dbraw/zinc/86/30/44/1005863044.db2.gz WPUFZTXFKMKIMI-GFCCVEGCSA-N -1 1 312.341 0.296 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@H]1COc2ccc(O)cc2O1)c1nn[n-]n1 ZINC001417705179 1005872066 /nfs/dbraw/zinc/87/20/66/1005872066.db2.gz SSLOIOHVQLGGET-QPUJVOFHSA-N -1 1 319.321 0.307 20 0 DCADMM C[C@@H](NC(=O)CCc1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC001417703984 1005872269 /nfs/dbraw/zinc/87/22/69/1005872269.db2.gz FGZWNLXXBLXRPT-BTKVJGODSA-N -1 1 307.379 0.747 20 0 DCADMM C[C@H](O)c1cn(C2CN(C(=O)c3cccc([O-])c3F)C2)nn1 ZINC001417709122 1005873054 /nfs/dbraw/zinc/87/30/54/1005873054.db2.gz FOTFNZQUFROVTD-QMMMGPOBSA-N -1 1 306.297 0.873 20 0 DCADMM Cc1noc(CNC[C@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001438650868 1005992202 /nfs/dbraw/zinc/99/22/02/1005992202.db2.gz VPSSJAHQZPTFEM-VIFPVBQESA-N -1 1 305.338 0.729 20 0 DCADMM CCc1c(C(=O)N(C)[C@H](C)CNCc2n[nH]c(=O)[n-]2)cnn1C ZINC001438659398 1006000923 /nfs/dbraw/zinc/00/09/23/1006000923.db2.gz CYKAZGVLXCKXFC-SECBINFHSA-N -1 1 321.385 0.057 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@H]1CCC(F)(F)C1 ZINC001438664477 1006001251 /nfs/dbraw/zinc/00/12/51/1006001251.db2.gz WHXBCKBKHVMYSZ-IUCAKERBSA-N -1 1 317.340 0.882 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001438664476 1006002340 /nfs/dbraw/zinc/00/23/40/1006002340.db2.gz WHXBCKBKHVMYSZ-DTWKUNHWSA-N -1 1 317.340 0.882 20 0 DCADMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H]1CCC[C@@H]1O ZINC001434829802 1006018115 /nfs/dbraw/zinc/01/81/15/1006018115.db2.gz DBSAYHCXTDRBGD-SKDRFNHKSA-N -1 1 322.365 0.215 20 0 DCADMM Cc1nc(C(=O)N(C)[C@H](C)CNCc2n[nH]c(=O)[n-]2)c(C)o1 ZINC001438704583 1006049085 /nfs/dbraw/zinc/04/90/85/1006049085.db2.gz YMCCFDWQCWEGMU-SSDOTTSWSA-N -1 1 308.342 0.365 20 0 DCADMM CC(C)(C)O[C@H]1C[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001418164461 1006120371 /nfs/dbraw/zinc/12/03/71/1006120371.db2.gz PXRLQMGMVZWWGL-PHIMTYICSA-N -1 1 321.377 0.979 20 0 DCADMM CC(C)CCCC(=O)N[C@@H](CO)CNC(=O)c1ncccc1[O-] ZINC001451372983 1006131184 /nfs/dbraw/zinc/13/11/84/1006131184.db2.gz HJMIJLCOMNCWQA-GFCCVEGCSA-N -1 1 323.393 0.820 20 0 DCADMM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C1N=NC(=O)N1C ZINC001418237497 1006222876 /nfs/dbraw/zinc/22/28/76/1006222876.db2.gz YXOUMZXOXKYVQU-LURJTMIESA-N -1 1 304.310 0.385 20 0 DCADMM C[C@H](CNC(=O)[C@@H](F)Cc1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC001418314450 1006357924 /nfs/dbraw/zinc/35/79/24/1006357924.db2.gz TXDNEXHBXZSOHT-PWSUYJOCSA-N -1 1 321.356 0.685 20 0 DCADMM CCC[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001451824825 1006438134 /nfs/dbraw/zinc/43/81/34/1006438134.db2.gz KGNKOBXRUWVZER-NWDGAFQWSA-N -1 1 323.393 0.773 20 0 DCADMM Cc1n[nH]c(C(=O)NCC[C@@H](C)NCc2nccc(C)n2)c1[O-] ZINC001418395247 1006467528 /nfs/dbraw/zinc/46/75/28/1006467528.db2.gz XYHRPBMKJWWXKM-SECBINFHSA-N -1 1 318.381 0.820 20 0 DCADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cccnc2OC)n[n-]1 ZINC001418406656 1006481783 /nfs/dbraw/zinc/48/17/83/1006481783.db2.gz RXLISRGGWHUICD-MRVPVSSYSA-N -1 1 319.321 0.876 20 0 DCADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cccnc2OC)[n-]1 ZINC001418406656 1006481790 /nfs/dbraw/zinc/48/17/90/1006481790.db2.gz RXLISRGGWHUICD-MRVPVSSYSA-N -1 1 319.321 0.876 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cccnc2OC)n1 ZINC001418406656 1006481795 /nfs/dbraw/zinc/48/17/95/1006481795.db2.gz RXLISRGGWHUICD-MRVPVSSYSA-N -1 1 319.321 0.876 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001439123574 1006492731 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0.479 20 0 DCADMM CCOc1ccc(OCC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000348280978 159238708 /nfs/dbraw/zinc/23/87/08/159238708.db2.gz RYNCVHIWIILYEG-UHFFFAOYSA-N -1 1 303.322 0.783 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000348276670 159238739 /nfs/dbraw/zinc/23/87/39/159238739.db2.gz LKNQTIGBKMKSPS-UHFFFAOYSA-N -1 1 313.321 0.148 20 0 DCADMM C[C@H]1C[C@@H](CNC(=O)CNC(=O)c2ncccc2[O-])CCO1 ZINC000356873340 159254850 /nfs/dbraw/zinc/25/48/50/159254850.db2.gz WTGDMHRFOATHJQ-QWRGUYRKSA-N -1 1 307.350 0.448 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](O)(C3CC3)C2)co1 ZINC000366911114 159296480 /nfs/dbraw/zinc/29/64/80/159296480.db2.gz LDLLXWWDBKHKKF-CYBMUJFWSA-N -1 1 314.363 0.175 20 0 DCADMM Cn1[n-]c(CN2CCN(CC(F)(F)F)CC2(C)C)nc1=O ZINC000408199596 160058571 /nfs/dbraw/zinc/05/85/71/160058571.db2.gz UMNUNHHDUGGTJM-UHFFFAOYSA-N -1 1 307.320 0.567 20 0 DCADMM CCN1CCOC[C@H]1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408472509 160115198 /nfs/dbraw/zinc/11/51/98/160115198.db2.gz 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415145486 /nfs/dbraw/zinc/14/54/86/415145486.db2.gz COZBUDSIFFXMDB-LBPRGKRZSA-N -1 1 302.352 0.079 20 0 DCADMM CCC[C@@H](NC(=O)c1ccc(C(=O)NC)nc1)c1nn[n-]n1 ZINC000268161586 415169706 /nfs/dbraw/zinc/16/97/06/415169706.db2.gz IFPQSJJIUIOOCP-SECBINFHSA-N -1 1 303.326 0.226 20 0 DCADMM COc1cc(NC(=O)c2cc(=O)n3[n-]cnc3n2)cc(OC)c1 ZINC000352424973 415171409 /nfs/dbraw/zinc/17/14/09/415171409.db2.gz WJSPVCCBUPUFDW-UHFFFAOYSA-N -1 1 315.289 0.687 20 0 DCADMM CCC[C@@H](NC(=O)Cn1c(C)c(C)sc1=O)c1nn[n-]n1 ZINC000268229034 415176957 /nfs/dbraw/zinc/17/69/57/415176957.db2.gz RVCGENYTTDSMOE-SECBINFHSA-N -1 1 310.383 0.697 20 0 DCADMM C[C@@H](Cc1cccs1)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000352448098 415180890 /nfs/dbraw/zinc/18/08/90/415180890.db2.gz QBXZPFHCCLXOGQ-QMMMGPOBSA-N -1 1 303.347 0.840 20 0 DCADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)[C@H]1COC[C@@H]1O ZINC000342456665 415181460 /nfs/dbraw/zinc/18/14/60/415181460.db2.gz NWJAPZSXSGZRMS-UWVGGRQHSA-N -1 1 309.366 0.620 20 0 DCADMM 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DAWRYJMLHKXKSS-SSDOTTSWSA-N -1 1 306.351 0.327 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(C2CC2)CC1 ZINC000823484130 606536833 /nfs/dbraw/zinc/53/68/33/606536833.db2.gz RYMNOPDFURKSBW-UHFFFAOYSA-N -1 1 304.379 0.848 20 0 DCADMM CN(CCN1CCCC1=O)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821601706 606560482 /nfs/dbraw/zinc/56/04/82/606560482.db2.gz VYOLVRGLSBXBSA-UHFFFAOYSA-N -1 1 320.378 0.623 20 0 DCADMM CN(CCN1CCCC1=O)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821601706 606560484 /nfs/dbraw/zinc/56/04/84/606560484.db2.gz VYOLVRGLSBXBSA-UHFFFAOYSA-N -1 1 320.378 0.623 20 0 DCADMM CCc1nncn1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821553009 606569968 /nfs/dbraw/zinc/56/99/68/606569968.db2.gz DPRPJKOQIIYJPH-UHFFFAOYSA-N -1 1 318.366 0.512 20 0 DCADMM CCc1nncn1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821553009 606569970 /nfs/dbraw/zinc/56/99/70/606569970.db2.gz DPRPJKOQIIYJPH-UHFFFAOYSA-N -1 1 318.366 0.512 20 0 DCADMM CCC1(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCC1 ZINC000820962048 606593601 /nfs/dbraw/zinc/59/36/01/606593601.db2.gz GWGDXJLWXOFKAQ-UHFFFAOYSA-N -1 1 319.369 0.256 20 0 DCADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000821658876 606625994 /nfs/dbraw/zinc/62/59/94/606625994.db2.gz LNLNRAMQGFYUPD-MRVPVSSYSA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000821658876 606625996 /nfs/dbraw/zinc/62/59/96/606625996.db2.gz LNLNRAMQGFYUPD-MRVPVSSYSA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)NC(C)(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821665008 606651322 /nfs/dbraw/zinc/65/13/22/606651322.db2.gz RTBAIDWBLZYBDS-UHFFFAOYSA-N -1 1 320.309 0.440 20 0 DCADMM COC(=O)NC(C)(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821665008 606651323 /nfs/dbraw/zinc/65/13/23/606651323.db2.gz RTBAIDWBLZYBDS-UHFFFAOYSA-N -1 1 320.309 0.440 20 0 DCADMM CCNC(=O)N1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000821286898 606724962 /nfs/dbraw/zinc/72/49/62/606724962.db2.gz ZIGTUTXJYAIWIL-VIFPVBQESA-N -1 1 302.342 0.477 20 0 DCADMM CCNC(=O)N1CC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000821286898 606724963 /nfs/dbraw/zinc/72/49/63/606724963.db2.gz ZIGTUTXJYAIWIL-VIFPVBQESA-N -1 1 302.342 0.477 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2nccc(N)n2)n1 ZINC000822427129 606770688 /nfs/dbraw/zinc/77/06/88/606770688.db2.gz DCMAPZREBZEMMU-UHFFFAOYSA-N -1 1 315.366 0.938 20 0 DCADMM c1cnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)c(-c2nnn[n-]2)n1 ZINC000823809316 606802188 /nfs/dbraw/zinc/80/21/88/606802188.db2.gz KGNQYENHAMYIOT-VHSXEESVSA-N -1 1 303.326 0.041 20 0 DCADMM c1cnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)c(-c2nn[n-]n2)n1 ZINC000823809316 606802190 /nfs/dbraw/zinc/80/21/90/606802190.db2.gz KGNQYENHAMYIOT-VHSXEESVSA-N -1 1 303.326 0.041 20 0 DCADMM CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820838676 606804545 /nfs/dbraw/zinc/80/45/45/606804545.db2.gz ZMUQVDLJJXKKHJ-QMMMGPOBSA-N -1 1 320.378 0.669 20 0 DCADMM CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820838676 606804547 /nfs/dbraw/zinc/80/45/47/606804547.db2.gz ZMUQVDLJJXKKHJ-QMMMGPOBSA-N -1 1 320.378 0.669 20 0 DCADMM O=C(NCCCO[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823191382 606811778 /nfs/dbraw/zinc/81/17/78/606811778.db2.gz KXRHREBQNJPQFM-VIFPVBQESA-N -1 1 323.378 0.854 20 0 DCADMM O=C(NCCCO[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823191382 606811779 /nfs/dbraw/zinc/81/17/79/606811779.db2.gz KXRHREBQNJPQFM-VIFPVBQESA-N -1 1 323.378 0.854 20 0 DCADMM CCCCN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C1CC1 ZINC000821065802 606834828 /nfs/dbraw/zinc/83/48/28/606834828.db2.gz NLACIBOAAGSMFE-UHFFFAOYSA-N -1 1 319.369 0.033 20 0 DCADMM Cc1noc(CCCC(=O)Nc2ncc(-c3nnn[n-]3)s2)n1 ZINC000822527742 607107050 /nfs/dbraw/zinc/10/70/50/607107050.db2.gz BTFHRSHKMKEHFS-UHFFFAOYSA-N -1 1 320.338 0.976 20 0 DCADMM Cc1noc(CCCC(=O)Nc2ncc(-c3nn[n-]n3)s2)n1 ZINC000822527742 607107052 /nfs/dbraw/zinc/10/70/52/607107052.db2.gz BTFHRSHKMKEHFS-UHFFFAOYSA-N -1 1 320.338 0.976 20 0 DCADMM C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820235763 607129574 /nfs/dbraw/zinc/12/95/74/607129574.db2.gz UTRLXKVGJPWNID-ZJUUUORDSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820235763 607129576 /nfs/dbraw/zinc/12/95/76/607129576.db2.gz UTRLXKVGJPWNID-ZJUUUORDSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)Cc2ccccc21 ZINC000820735967 607205805 /nfs/dbraw/zinc/20/58/05/607205805.db2.gz WBTZAYWVXFVWED-SNVBAGLBSA-N -1 1 324.348 0.604 20 0 DCADMM Cc1cc(C)cc(N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822196428 607209624 /nfs/dbraw/zinc/20/96/24/607209624.db2.gz JGRGXNKHYORBPO-UHFFFAOYSA-N -1 1 312.337 0.738 20 0 DCADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820037799 607214214 /nfs/dbraw/zinc/21/42/14/607214214.db2.gz IEIHGAUVVZKNMP-GHMZBOCLSA-N -1 1 318.385 0.789 20 0 DCADMM CSCC[C@@H](C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821962522 607218337 /nfs/dbraw/zinc/21/83/37/607218337.db2.gz RMRYWJXJHRAING-MRVPVSSYSA-N -1 1 310.387 0.058 20 0 DCADMM CS[C@@H]1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821951429 607218469 /nfs/dbraw/zinc/21/84/69/607218469.db2.gz YLQZPLTYABMXML-RKDXNWHRSA-N -1 1 322.398 0.249 20 0 DCADMM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820633791 607219455 /nfs/dbraw/zinc/21/94/55/607219455.db2.gz DQBIRSVSXSAQQF-ABAIWWIYSA-N -1 1 324.348 0.305 20 0 DCADMM CCc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1F ZINC000825712649 607776590 /nfs/dbraw/zinc/77/65/90/607776590.db2.gz UBLRERIPTAPCRN-UHFFFAOYSA-N -1 1 316.300 0.798 20 0 DCADMM CN(C[C@@H]1CCC[C@@H]1O)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825908824 607857197 /nfs/dbraw/zinc/85/71/97/607857197.db2.gz MQACBVOWUKMYIU-WPRPVWTQSA-N -1 1 320.357 0.225 20 0 DCADMM CN(C[C@@H]1CCC[C@@H]1O)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825908824 607857198 /nfs/dbraw/zinc/85/71/98/607857198.db2.gz MQACBVOWUKMYIU-WPRPVWTQSA-N -1 1 320.357 0.225 20 0 DCADMM CC[C@H](C[C@@H](C)CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825082762 607994490 /nfs/dbraw/zinc/99/44/90/607994490.db2.gz VMTCRDAAVHWVJX-MWLCHTKSSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@H](C[C@@H](C)CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825082762 607994491 /nfs/dbraw/zinc/99/44/91/607994491.db2.gz VMTCRDAAVHWVJX-MWLCHTKSSA-N -1 1 304.354 0.789 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000826425325 608014588 /nfs/dbraw/zinc/01/45/88/608014588.db2.gz YDTUMDJWABZDQY-WDEREUQCSA-N -1 1 317.353 0.233 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000826425325 608014589 /nfs/dbraw/zinc/01/45/89/608014589.db2.gz YDTUMDJWABZDQY-WDEREUQCSA-N -1 1 317.353 0.233 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000826425322 608014673 /nfs/dbraw/zinc/01/46/73/608014673.db2.gz YDTUMDJWABZDQY-GHMZBOCLSA-N -1 1 317.353 0.233 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000826425322 608014674 /nfs/dbraw/zinc/01/46/74/608014674.db2.gz YDTUMDJWABZDQY-GHMZBOCLSA-N -1 1 317.353 0.233 20 0 DCADMM CSC[C@H](CCO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826228295 608073893 /nfs/dbraw/zinc/07/38/93/608073893.db2.gz LBIKOZLDEXFGHR-VIFPVBQESA-N -1 1 308.367 0.106 20 0 DCADMM CSC[C@H](CCO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826228295 608073892 /nfs/dbraw/zinc/07/38/92/608073892.db2.gz LBIKOZLDEXFGHR-VIFPVBQESA-N -1 1 308.367 0.106 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ncc(C)s2)c1=O ZINC000825799988 608217999 /nfs/dbraw/zinc/21/79/99/608217999.db2.gz XSGAQXWQEYCDSA-UHFFFAOYSA-N -1 1 319.350 0.023 20 0 DCADMM Cn1nnnc1CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826367239 608240329 /nfs/dbraw/zinc/24/03/29/608240329.db2.gz QQIIWCDTSLWFHL-UHFFFAOYSA-N -1 1 312.750 0.155 20 0 DCADMM Cn1nnnc1CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826367239 608240332 /nfs/dbraw/zinc/24/03/32/608240332.db2.gz QQIIWCDTSLWFHL-UHFFFAOYSA-N -1 1 312.750 0.155 20 0 DCADMM CCN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825391072 608351581 /nfs/dbraw/zinc/35/15/81/608351581.db2.gz UKZBSSXYCAMNMU-UHFFFAOYSA-N -1 1 320.357 0.235 20 0 DCADMM CCN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825391072 608351583 /nfs/dbraw/zinc/35/15/83/608351583.db2.gz UKZBSSXYCAMNMU-UHFFFAOYSA-N -1 1 320.357 0.235 20 0 DCADMM CCOC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825518413 608390057 /nfs/dbraw/zinc/39/00/57/608390057.db2.gz ZQZHMPFNJDUYIS-UHFFFAOYSA-N -1 1 318.341 0.690 20 0 DCADMM CCOC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825518413 608390058 /nfs/dbraw/zinc/39/00/58/608390058.db2.gz ZQZHMPFNJDUYIS-UHFFFAOYSA-N -1 1 318.341 0.690 20 0 DCADMM CN(CCCNc1ccc(-c2nnn[n-]2)nn1)CC(F)(F)F ZINC000825918402 608398392 /nfs/dbraw/zinc/39/83/92/608398392.db2.gz DVHSUVYMVWKGHA-UHFFFAOYSA-N -1 1 316.291 0.953 20 0 DCADMM CN(CCCNc1ccc(-c2nn[n-]n2)nn1)CC(F)(F)F ZINC000825918402 608398394 /nfs/dbraw/zinc/39/83/94/608398394.db2.gz DVHSUVYMVWKGHA-UHFFFAOYSA-N -1 1 316.291 0.953 20 0 DCADMM Nc1nc2c(s1)CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826396018 608398571 /nfs/dbraw/zinc/39/85/71/608398571.db2.gz CHLXHQWFKJLBPU-UHFFFAOYSA-N -1 1 301.339 0.258 20 0 DCADMM Nc1nc2c(s1)CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826396018 608398572 /nfs/dbraw/zinc/39/85/72/608398572.db2.gz CHLXHQWFKJLBPU-UHFFFAOYSA-N -1 1 301.339 0.258 20 0 DCADMM CCc1nnc2n1C[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000825771632 608407773 /nfs/dbraw/zinc/40/77/73/608407773.db2.gz NJOHUQJPPDQTMO-QMMMGPOBSA-N -1 1 312.341 0.238 20 0 DCADMM CCc1nnc2n1C[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000825771632 608407776 /nfs/dbraw/zinc/40/77/76/608407776.db2.gz NJOHUQJPPDQTMO-QMMMGPOBSA-N -1 1 312.341 0.238 20 0 DCADMM CCCNC(=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825328042 608407870 /nfs/dbraw/zinc/40/78/70/608407870.db2.gz OLDVYISGWPWDDN-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCCNC(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825328042 608407872 /nfs/dbraw/zinc/40/78/72/608407872.db2.gz OLDVYISGWPWDDN-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM OC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC000826508529 608420408 /nfs/dbraw/zinc/42/04/08/608420408.db2.gz SEAVYRYZUKEYRK-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM OC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC000826508529 608420410 /nfs/dbraw/zinc/42/04/10/608420410.db2.gz SEAVYRYZUKEYRK-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC000823973206 608436678 /nfs/dbraw/zinc/43/66/78/608436678.db2.gz JFMNKLPIMLLVIQ-PSASIEDQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC000823973206 608436679 /nfs/dbraw/zinc/43/66/79/608436679.db2.gz JFMNKLPIMLLVIQ-PSASIEDQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(C)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824184971 608489900 /nfs/dbraw/zinc/48/99/00/608489900.db2.gz PCGQRZVVUOKGPK-UHFFFAOYSA-N -1 1 322.394 0.772 20 0 DCADMM CC(C)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824184971 608489901 /nfs/dbraw/zinc/48/99/01/608489901.db2.gz PCGQRZVVUOKGPK-UHFFFAOYSA-N -1 1 322.394 0.772 20 0 DCADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C1CC1 ZINC000824040200 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DCADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1cnon1 ZINC000939377789 665563819 /nfs/dbraw/zinc/56/38/19/665563819.db2.gz HPKAKRUILNKIFR-PSASIEDQSA-N -1 1 317.305 0.061 20 0 DCADMM COc1ccc(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)o1 ZINC000939385236 665567576 /nfs/dbraw/zinc/56/75/76/665567576.db2.gz GDZRSQQBTBISEQ-RKDXNWHRSA-N -1 1 321.337 0.362 20 0 DCADMM CC(C)[C@H](F)C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1 ZINC000972123042 658335042 /nfs/dbraw/zinc/33/50/42/658335042.db2.gz WCOURZRMBWNQTB-PWSUYJOCSA-N -1 1 313.377 0.135 20 0 DCADMM CO[C@@H](C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC000999043121 665570148 /nfs/dbraw/zinc/57/01/48/665570148.db2.gz ARTKQSGTJUZAHX-ZYHUDNBSSA-N -1 1 309.370 0.016 20 0 DCADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](C)COCCOC ZINC000866874048 658481901 /nfs/dbraw/zinc/48/19/01/658481901.db2.gz DFVYPRFOWKKLSQ-SNVBAGLBSA-N -1 1 316.445 0.380 20 0 DCADMM CN(Cc1ncnn1C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971394885 658581911 /nfs/dbraw/zinc/58/19/11/658581911.db2.gz RJEZNXGXHYUUDL-LLVKDONJSA-N -1 1 316.365 0.262 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cc2n(n1)CCCC2 ZINC000804757177 658635233 /nfs/dbraw/zinc/63/52/33/658635233.db2.gz KTHUIYWGEYREGX-UHFFFAOYSA-N -1 1 303.322 0.098 20 0 DCADMM COc1ccc(C(=O)[N-]C(=O)CSc2nnc(C)n2N)cc1 ZINC000022433144 658652210 /nfs/dbraw/zinc/65/22/10/658652210.db2.gz HGLHDKXCAPJZKN-UHFFFAOYSA-N -1 1 321.362 0.358 20 0 DCADMM CN(CC(=O)[O-])C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000737989401 658920238 /nfs/dbraw/zinc/92/02/38/658920238.db2.gz QQIQDBZNPXMFPB-UHFFFAOYSA-N -1 1 307.331 0.379 20 0 DCADMM CCO[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973063808 659001491 /nfs/dbraw/zinc/00/14/91/659001491.db2.gz ASMZDJMLOQUOTI-UZWSLXQKSA-N -1 1 319.361 0.589 20 0 DCADMM Cc1conc1C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025133618 659077768 /nfs/dbraw/zinc/07/77/68/659077768.db2.gz HMNABXLYICPHDT-SNVBAGLBSA-N -1 1 320.353 0.591 20 0 DCADMM O=C(Cc1cc[nH]n1)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000973980605 659110658 /nfs/dbraw/zinc/11/06/58/659110658.db2.gz GQLONMJJIBVAFN-PHIMTYICSA-N -1 1 315.333 0.130 20 0 DCADMM O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CCCCO2)C1)c1ncccc1[O-] ZINC000973168715 659159187 /nfs/dbraw/zinc/15/91/87/659159187.db2.gz FQQLXEHEXQQEPW-GVXVVHGQSA-N -1 1 319.361 0.733 20 0 DCADMM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21)c1cccnc1 ZINC000976052262 659166012 /nfs/dbraw/zinc/16/60/12/659166012.db2.gz LJBCSGJYNWQKNA-IMRBUKKESA-N -1 1 324.340 0.683 20 0 DCADMM O=C([C@H]1CCC1(F)F)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000999475883 665649582 /nfs/dbraw/zinc/64/95/82/665649582.db2.gz KGNTWJCLKLRPLU-DTWKUNHWSA-N -1 1 315.324 0.636 20 0 DCADMM Cc1cc(C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)n(C)n1 ZINC000872485897 667902103 /nfs/dbraw/zinc/90/21/03/667902103.db2.gz UPTDWGWNZKMMJX-IBGZPJMESA-N -1 1 322.456 0.959 20 0 DCADMM O=C(N[C@H]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)C1)c1ncccc1[O-] ZINC000974059083 659174939 /nfs/dbraw/zinc/17/49/39/659174939.db2.gz YSNHFTPTRDDEDR-HFBDOXOYSA-N -1 1 323.324 0.293 20 0 DCADMM C[C@@H]1CO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000973198772 659174971 /nfs/dbraw/zinc/17/49/71/659174971.db2.gz GRROQTWFDBIRPC-MRBYEJRBSA-N -1 1 319.361 0.589 20 0 DCADMM O=C(N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)c1ncc[nH]1 ZINC000973202011 659177888 /nfs/dbraw/zinc/17/78/88/659177888.db2.gz WASARARDOQQOFM-KYZUINATSA-N -1 1 301.306 0.201 20 0 DCADMM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21)C1CC=CC1 ZINC000976281396 659270028 /nfs/dbraw/zinc/27/00/28/659270028.db2.gz DWAKJTYLURJSOB-IMRBUKKESA-N -1 1 313.357 0.940 20 0 DCADMM CC(C)(O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC000976395311 659318650 /nfs/dbraw/zinc/31/86/50/659318650.db2.gz BDAZVLCAIZAUER-IWIIMEHWSA-N -1 1 319.361 0.135 20 0 DCADMM O=C(N[C@@H]1[C@H]2CN(C(=O)C3CCC3)C[C@H]21)c1ncccc1[O-] ZINC000976406656 659322891 /nfs/dbraw/zinc/32/28/91/659322891.db2.gz XTPZHPZZPDFTOO-PJXYFTJBSA-N -1 1 301.346 0.774 20 0 DCADMM CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000976526425 659370177 /nfs/dbraw/zinc/37/01/77/659370177.db2.gz HWONIHWZKQOKDD-GDNZZTSVSA-N -1 1 302.334 0.266 20 0 DCADMM O=C(c1occc1Cl)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019339300 659394513 /nfs/dbraw/zinc/39/45/13/659394513.db2.gz YZKQEQJCIAAFFP-ZETCQYMHSA-N -1 1 311.729 0.761 20 0 DCADMM O=C(c1ncccc1[O-])N1CCN(C(=O)C2CCOCC2)CC1 ZINC001009742492 659680529 /nfs/dbraw/zinc/68/05/29/659680529.db2.gz LFPBOGICSHOZNS-UHFFFAOYSA-N -1 1 319.361 0.498 20 0 DCADMM O=C(N[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1)c1ncccc1[O-] ZINC000940134349 665705025 /nfs/dbraw/zinc/70/50/25/665705025.db2.gz MUNYJBLXYGCAQP-SNVBAGLBSA-N -1 1 318.308 0.899 20 0 DCADMM Cc1ocnc1C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940125690 665707321 /nfs/dbraw/zinc/70/73/21/665707321.db2.gz OODVKRQVOBXWKX-SNVBAGLBSA-N -1 1 316.317 0.728 20 0 DCADMM COCc1nc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)cc(=O)[n-]1 ZINC000893920153 661418884 /nfs/dbraw/zinc/41/88/84/661418884.db2.gz KRFHMQXAOLEWOA-IUCAKERBSA-N -1 1 301.368 0.340 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3ccn[nH]3)C2)c1[O-] ZINC000982478076 661438707 /nfs/dbraw/zinc/43/87/07/661438707.db2.gz HIXQKKOTBWXTRZ-SECBINFHSA-N -1 1 318.337 0.039 20 0 DCADMM Cn1cc(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)nc1Cl ZINC000756976891 668108974 /nfs/dbraw/zinc/10/89/74/668108974.db2.gz YMOAPFJEPNVCQT-RXMQYKEDSA-N -1 1 321.708 0.665 20 0 DCADMM CCOc1cccc(CNC(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC000726868089 661677337 /nfs/dbraw/zinc/67/73/37/661677337.db2.gz WEJZCXQMDYPXEH-UHFFFAOYSA-N -1 1 317.345 0.642 20 0 DCADMM CCOc1ncccc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000726866135 661678517 /nfs/dbraw/zinc/67/85/17/661678517.db2.gz UCUZPLATHCWDAQ-UHFFFAOYSA-N -1 1 304.306 0.359 20 0 DCADMM CCC(=O)N1C[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C[C@H]1C ZINC001012109513 661732360 /nfs/dbraw/zinc/73/23/60/661732360.db2.gz MFDCOQCPCXPIMZ-HTQZYQBOSA-N -1 1 324.337 0.026 20 0 DCADMM COC(=O)[C@H](CO)[N-]S(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC000882041419 662098298 /nfs/dbraw/zinc/09/82/98/662098298.db2.gz RYPJGPPFJBRYIH-BQBZGAKWSA-N -1 1 320.194 0.024 20 0 DCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CCN1C ZINC000928566867 662131851 /nfs/dbraw/zinc/13/18/51/662131851.db2.gz RYRIMEMFVQCWNL-NSHDSACASA-N -1 1 311.407 0.882 20 0 DCADMM CCO[C@@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C1CCOCC1 ZINC000866901283 662143273 /nfs/dbraw/zinc/14/32/73/662143273.db2.gz CCDSKCIIOMSDHR-CHWSQXEVSA-N -1 1 323.397 0.737 20 0 DCADMM O=C([N-]OCc1ccccn1)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000909518960 662173676 /nfs/dbraw/zinc/17/36/76/662173676.db2.gz FFDCUDFCBUWRPR-NXEZZACHSA-N -1 1 317.267 0.944 20 0 DCADMM CCCc1nnc(NC(=O)CCn2cc[n-]c(=O)c2=O)s1 ZINC000727848165 662253534 /nfs/dbraw/zinc/25/35/34/662253534.db2.gz GBJODABLRBVMCE-UHFFFAOYSA-N -1 1 309.351 0.369 20 0 DCADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)CCn2cc[n-]c(=O)c2=O)o1 ZINC000727851986 662254465 /nfs/dbraw/zinc/25/44/65/662254465.db2.gz PJMIQSBSYGBLKI-CMPLNLGQSA-N -1 1 317.345 0.960 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)N(Cc1ccncc1)C1CC1 ZINC000727852574 662255252 /nfs/dbraw/zinc/25/52/52/662255252.db2.gz ZXLLIDXQVJAJDD-UHFFFAOYSA-N -1 1 314.345 0.513 20 0 DCADMM O=C(COc1cccnc1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000728070682 662341657 /nfs/dbraw/zinc/34/16/57/662341657.db2.gz JPUDZMICSWGSJB-CQSZACIVSA-N -1 1 310.317 0.879 20 0 DCADMM Cc1ccc(CN(C)C(=O)CCn2cc[n-]c(=O)c2=O)s1 ZINC000728082378 662343254 /nfs/dbraw/zinc/34/32/54/662343254.db2.gz VFYPLWZVIOASSL-UHFFFAOYSA-N -1 1 307.375 0.955 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)c1ccns1 ZINC000985104466 662366255 /nfs/dbraw/zinc/36/62/55/662366255.db2.gz AQAGNEIMFLOFBV-WCBMZHEXSA-N -1 1 320.378 0.684 20 0 DCADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ccns1 ZINC000940849363 665861331 /nfs/dbraw/zinc/86/13/31/665861331.db2.gz PJHPKZXBGDRXGQ-SECBINFHSA-N -1 1 318.358 0.888 20 0 DCADMM O=C(Cc1ccco1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001000502503 665863652 /nfs/dbraw/zinc/86/36/52/665863652.db2.gz HKSUKZWIOZDQIC-JTQLQIEISA-N -1 1 305.338 0.427 20 0 DCADMM Cc1c[nH]nc1C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985424414 662437908 /nfs/dbraw/zinc/43/79/08/662437908.db2.gz ZIFMQTJCPRUDDK-UHFFFAOYSA-N -1 1 319.369 0.278 20 0 DCADMM CS[C@H](C)C(=O)N1CC[C@@H](CN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001029653668 662439361 /nfs/dbraw/zinc/43/93/61/662439361.db2.gz QSSCEFYERKOKTI-ZJUUUORDSA-N -1 1 313.427 0.542 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC001029705152 662455035 /nfs/dbraw/zinc/45/50/35/662455035.db2.gz CZIKUDVPFXXUQP-NEPJUHHUSA-N -1 1 323.397 0.360 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC001029732794 662462466 /nfs/dbraw/zinc/46/24/66/662462466.db2.gz CUKYUEKBPZGXLX-DTWKUNHWSA-N -1 1 315.324 0.446 20 0 DCADMM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](CN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001029844694 662492292 /nfs/dbraw/zinc/49/22/92/662492292.db2.gz NMCQGWAKWVEJQS-WZRBSPASSA-N -1 1 323.397 0.216 20 0 DCADMM COC(=O)[C@H]1CSCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000925204847 662500376 /nfs/dbraw/zinc/50/03/76/662500376.db2.gz TUXXLLUXQDZSJX-LLVKDONJSA-N -1 1 309.343 0.692 20 0 DCADMM O=C([C@@H]1COc2ccccc2C1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737790041 662516458 /nfs/dbraw/zinc/51/64/58/662516458.db2.gz DZNOSYQLLXAWGN-NWDGAFQWSA-N -1 1 315.333 0.351 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)C1CCOCC1 ZINC000985870729 662523113 /nfs/dbraw/zinc/52/31/13/662523113.db2.gz CFHGTSVORJGUBF-ONGXEEELSA-N -1 1 309.370 0.016 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)c2nccs2)C1 ZINC001029872707 662524295 /nfs/dbraw/zinc/52/42/95/662524295.db2.gz JICGMCRDGCMQNO-SECBINFHSA-N -1 1 322.394 0.561 20 0 DCADMM C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)C(=O)C(C)(C)C ZINC000986062762 662547967 /nfs/dbraw/zinc/54/79/67/662547967.db2.gz HOPQBQICZSZZBX-BDAKNGLRSA-N -1 1 309.370 0.205 20 0 DCADMM C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1ccnc(F)c1 ZINC000986085442 662550738 /nfs/dbraw/zinc/55/07/38/662550738.db2.gz YPOCHERXUXZJER-SCZZXKLOSA-N -1 1 320.328 0.437 20 0 DCADMM Cc1ncc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@H]2C)s1 ZINC000986085347 662550810 /nfs/dbraw/zinc/55/08/10/662550810.db2.gz XUZXVWGSMXPLBG-VXNVDRBHSA-N -1 1 322.394 0.668 20 0 DCADMM C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)C1CC(F)(F)C1 ZINC000986128440 662559381 /nfs/dbraw/zinc/55/93/81/662559381.db2.gz MRKDEPCGXXYENU-APPZFPTMSA-N -1 1 315.324 0.635 20 0 DCADMM C[C@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[n-]2)CCN1C(=O)C=C1CCC1 ZINC000986145457 662561220 /nfs/dbraw/zinc/56/12/20/662561220.db2.gz HHDYAVIQAFOUIS-CMPLNLGQSA-N -1 1 305.382 0.298 20 0 DCADMM C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1ccn(C)c1 ZINC000986160809 662563170 /nfs/dbraw/zinc/56/31/70/662563170.db2.gz LYYHREVDZTVZHS-MWLCHTKSSA-N -1 1 304.354 0.242 20 0 DCADMM C[C@H]1[C@H]([NH2+]Cc2ncccn2)CCN1C(=O)c1ncccc1[O-] ZINC000986174747 662564619 /nfs/dbraw/zinc/56/46/19/662564619.db2.gz ZDUHJOBHVIKLFH-NWDGAFQWSA-N -1 1 313.361 0.970 20 0 DCADMM C[C@H]1[C@H](NCc2ncccn2)CCN1C(=O)c1ncccc1[O-] ZINC000986174747 662564621 /nfs/dbraw/zinc/56/46/21/662564621.db2.gz ZDUHJOBHVIKLFH-NWDGAFQWSA-N -1 1 313.361 0.970 20 0 DCADMM Cc1ccc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)nn1 ZINC000986267519 662578650 /nfs/dbraw/zinc/57/86/50/662578650.db2.gz QNIQJNBZRPCQLB-VHSXEESVSA-N -1 1 317.353 0.002 20 0 DCADMM Cc1noc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)c1C ZINC000986410996 662588981 /nfs/dbraw/zinc/58/89/81/662588981.db2.gz ZWFKZPZBVXMYQM-VHSXEESVSA-N -1 1 320.353 0.508 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)c2ccon2)CC1 ZINC001029940039 662593983 /nfs/dbraw/zinc/59/39/83/662593983.db2.gz MRULYEGGTDRPNV-UHFFFAOYSA-N -1 1 320.353 0.483 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)c2cocn2)CC1 ZINC001029945405 662596837 /nfs/dbraw/zinc/59/68/37/662596837.db2.gz GXNVSSRASCJWDM-UHFFFAOYSA-N -1 1 320.353 0.483 20 0 DCADMM O=S(=O)([N-]CCCO[C@@H]1CCOC1)c1ccc(F)nc1F ZINC000866948795 662653146 /nfs/dbraw/zinc/65/31/46/662653146.db2.gz LMJGTXICPSUNLJ-SECBINFHSA-N -1 1 322.333 0.834 20 0 DCADMM COC[C@@](C)([N-]S(=O)(=O)c1ccc(F)nc1F)C(=O)OC ZINC000866948931 662653429 /nfs/dbraw/zinc/65/34/29/662653429.db2.gz LCFKEEQHIJULCH-LLVKDONJSA-N -1 1 324.305 0.216 20 0 DCADMM C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1nccs1 ZINC000987227057 662657758 /nfs/dbraw/zinc/65/77/58/662657758.db2.gz FKMNOOGMTAPUGA-SFYZADRCSA-N -1 1 308.367 0.360 20 0 DCADMM C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cc1ccco1 ZINC000987222996 662658643 /nfs/dbraw/zinc/65/86/43/662658643.db2.gz JBAINHLOPKFVIG-GXSJLCMTSA-N -1 1 305.338 0.425 20 0 DCADMM Cc1cc(CS(=O)(=O)[N-][C@@H](C)C(=O)OCC(C)C)on1 ZINC000763396363 668408141 /nfs/dbraw/zinc/40/81/41/668408141.db2.gz RZMIRXBUNQQKIL-JTQLQIEISA-N -1 1 304.368 0.990 20 0 DCADMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C1CCC1 ZINC000940959691 665889036 /nfs/dbraw/zinc/88/90/36/665889036.db2.gz XNSMKHKMBXCEHD-DGCLKSJQSA-N -1 1 319.361 0.543 20 0 DCADMM C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1cncs1 ZINC000988253217 662743580 /nfs/dbraw/zinc/74/35/80/662743580.db2.gz ZINDJXALOOOJLG-HTQZYQBOSA-N -1 1 308.367 0.360 20 0 DCADMM C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1ccc(F)nc1 ZINC000988339396 662755377 /nfs/dbraw/zinc/75/53/77/662755377.db2.gz IZWXVZRTTLNVQS-PSASIEDQSA-N -1 1 320.328 0.437 20 0 DCADMM NS(=O)(=O)c1ccc(CC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000729285451 662764063 /nfs/dbraw/zinc/76/40/63/662764063.db2.gz YNBFHPACGGOTKX-ZDUSSCGKSA-N -1 1 314.363 0.451 20 0 DCADMM Cc1ncoc1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000988484003 662792641 /nfs/dbraw/zinc/79/26/41/662792641.db2.gz CVHFCECMTBERNK-CBAPKCEASA-N -1 1 306.326 0.200 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CC[C@@H](OC)C2)co1 ZINC000800464513 662793103 /nfs/dbraw/zinc/79/31/03/662793103.db2.gz XGOGNTQLBPNPAS-ZJUUUORDSA-N -1 1 303.336 0.912 20 0 DCADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@H]1CCOC1 ZINC000937731588 662812009 /nfs/dbraw/zinc/81/20/09/662812009.db2.gz VHQVIUJNAXQKEH-QWRGUYRKSA-N -1 1 305.334 0.154 20 0 DCADMM CCc1nc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C[C@H]2C)co1 ZINC000988674031 662824760 /nfs/dbraw/zinc/82/47/60/662824760.db2.gz CDQUXFFZSQLTRN-RKDXNWHRSA-N -1 1 320.353 0.454 20 0 DCADMM C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1ccc(F)cn1 ZINC000988675232 662825194 /nfs/dbraw/zinc/82/51/94/662825194.db2.gz XCUAFKKYXZZKQA-WPRPVWTQSA-N -1 1 320.328 0.437 20 0 DCADMM O=C(N[C@H]1CCN(C(=O)c2ccsn2)C1)c1ncccc1[O-] ZINC000937865837 662835436 /nfs/dbraw/zinc/83/54/36/662835436.db2.gz QHFISGWNEKHKLK-VIFPVBQESA-N -1 1 318.358 0.888 20 0 DCADMM O=C(Cc1ccc[nH]1)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000938049418 662857536 /nfs/dbraw/zinc/85/75/36/662857536.db2.gz UICPRCZPJFWSKW-LBPRGKRZSA-N -1 1 314.345 0.689 20 0 DCADMM Cc1ccc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C[C@H]2C)nn1 ZINC000988837006 662866150 /nfs/dbraw/zinc/86/61/50/662866150.db2.gz SVKAFRYHHWZTNK-NXEZZACHSA-N -1 1 317.353 0.002 20 0 DCADMM C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1cncs1 ZINC000988993038 662874644 /nfs/dbraw/zinc/87/46/44/662874644.db2.gz DJERKYFJPJQGBH-BDAKNGLRSA-N -1 1 322.394 0.289 20 0 DCADMM O=C(Cn1cnc2ccccc21)N[N-]C(=O)c1ccc[n+]([O-])c1 ZINC000078263340 662877859 /nfs/dbraw/zinc/87/78/59/662877859.db2.gz FXQHQJXWQCNMAK-UHFFFAOYSA-N -1 1 311.301 0.131 20 0 DCADMM CCn1cccc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000989803268 662978492 /nfs/dbraw/zinc/97/84/92/662978492.db2.gz QJOWABQEMMYBCT-GHMZBOCLSA-N -1 1 318.381 0.725 20 0 DCADMM Cc1c(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)cnn1C ZINC000990258760 663024539 /nfs/dbraw/zinc/02/45/39/663024539.db2.gz WRQNMRAOEPEVQW-UHFFFAOYSA-N -1 1 315.333 0.084 20 0 DCADMM O=C(NN1CC(=O)[N-]C1=O)c1ccc(OCC(F)(F)F)nc1 ZINC000041823186 663088256 /nfs/dbraw/zinc/08/82/56/663088256.db2.gz HLXIKMKOERGGJN-UHFFFAOYSA-N -1 1 318.211 0.219 20 0 DCADMM CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)[N-]OCCO)CO1 ZINC000898939029 663114849 /nfs/dbraw/zinc/11/48/49/663114849.db2.gz FQPFEUHVVIJAOX-WDEREUQCSA-N -1 1 303.355 0.554 20 0 DCADMM CO[C@@]1(C(=O)Nc2cccc(F)c2[O-])CCS(=O)(=O)C1 ZINC000899140879 663125335 /nfs/dbraw/zinc/12/53/35/663125335.db2.gz DSLKWFSHRAXPPK-LBPRGKRZSA-N -1 1 303.311 0.674 20 0 DCADMM CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C(=O)c1ccc([O-])cc1 ZINC000899835716 663191522 /nfs/dbraw/zinc/19/15/22/663191522.db2.gz RSWJVJIIZJDRPG-NEPJUHHUSA-N -1 1 302.330 0.797 20 0 DCADMM CN(CCN1CCOCC1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900517863 663252333 /nfs/dbraw/zinc/25/23/33/663252333.db2.gz HSMXYSVYDXKJIQ-UHFFFAOYSA-N -1 1 306.366 0.464 20 0 DCADMM CC1(C)CC[C@@H](CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)OC1 ZINC000900626968 663263677 /nfs/dbraw/zinc/26/36/77/663263677.db2.gz TXULKMLQEQGEKU-QWRGUYRKSA-N -1 1 309.370 0.695 20 0 DCADMM O=C(c1c([O-])cnc2c(F)cccc21)N1C[C@H](O)C[C@H](O)C1 ZINC000900917207 663293857 /nfs/dbraw/zinc/29/38/57/663293857.db2.gz IWHVVVKUURTRIS-DTORHVGOSA-N -1 1 306.293 0.647 20 0 DCADMM O=C(C[C@H]1COCCN1)[N-]S(=O)(=O)CC1CCCCC1 ZINC000901019810 663308849 /nfs/dbraw/zinc/30/88/49/663308849.db2.gz UABLVFYWCKIUNE-LBPRGKRZSA-N -1 1 304.412 0.391 20 0 DCADMM O=C(NC[C@@]1(O)CCOC1)c1c([O-])cnc2c(F)cccc21 ZINC000901205257 663330255 /nfs/dbraw/zinc/33/02/55/663330255.db2.gz URJCFERNGVHZRT-HNNXBMFYSA-N -1 1 306.293 0.961 20 0 DCADMM CO[C@H](C(=O)[O-])C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000901886234 663372233 /nfs/dbraw/zinc/37/22/33/663372233.db2.gz GGQMBXGBLOPQTP-FZMZJTMJSA-N -1 1 306.362 0.649 20 0 DCADMM Cn1nc([N-]S(=O)(=O)N2CCCOCC2)c2ccccc21 ZINC000901987140 663376868 /nfs/dbraw/zinc/37/68/68/663376868.db2.gz NBIJTBFEVTUFJB-UHFFFAOYSA-N -1 1 310.379 0.952 20 0 DCADMM O=C(CC[C@@H]1CCCO1)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990970125 663396947 /nfs/dbraw/zinc/39/69/47/663396947.db2.gz VLIUXKRPMHVOFZ-LBPRGKRZSA-N -1 1 319.361 0.687 20 0 DCADMM C[C@]1(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)CCCOC1 ZINC000990971781 663397848 /nfs/dbraw/zinc/39/78/48/663397848.db2.gz JCQVPIQZFGJFQD-INIZCTEOSA-N -1 1 319.361 0.545 20 0 DCADMM O=C(NCCO[C@@H]1CCOC1)c1nc2ccccc2c(=O)[n-]1 ZINC000902980345 663441734 /nfs/dbraw/zinc/44/17/34/663441734.db2.gz KHYAHVXTEXUHQS-SNVBAGLBSA-N -1 1 303.318 0.458 20 0 DCADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCn2cncc2C1 ZINC000903194396 663448653 /nfs/dbraw/zinc/44/86/53/663448653.db2.gz BYPBNIJZSXJCPQ-JTQLQIEISA-N -1 1 320.440 0.540 20 0 DCADMM CS(=O)(=O)c1cc([N-]S(=O)(=O)CC2(F)CC2)ccn1 ZINC000903637451 663472606 /nfs/dbraw/zinc/47/26/06/663472606.db2.gz LUDBIEYHBFHXSV-UHFFFAOYSA-N -1 1 308.356 0.729 20 0 DCADMM O=C(C[C@H]1CCCOC1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001000955204 665971089 /nfs/dbraw/zinc/97/10/89/665971089.db2.gz ZCMCORRGEGZGOI-VXGBXAGGSA-N -1 1 323.397 0.408 20 0 DCADMM Cn1cnnc1[C@@H](CO)[N-]S(=O)(=O)c1ccccc1Cl ZINC000907374205 663690077 /nfs/dbraw/zinc/69/00/77/663690077.db2.gz ZMEICLBTXNMJKI-SECBINFHSA-N -1 1 316.770 0.480 20 0 DCADMM O=C(c1ncc2n1CCCC2)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907474236 663697095 /nfs/dbraw/zinc/69/70/95/663697095.db2.gz FKUAHLOHJURRLI-SNVBAGLBSA-N -1 1 319.394 0.663 20 0 DCADMM O=C(/C=C/C1CCOCC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907475656 663697341 /nfs/dbraw/zinc/69/73/41/663697341.db2.gz PBBGLCFVZSYZCB-FMBMQGQPSA-N -1 1 309.395 0.799 20 0 DCADMM CCn1cc(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)cn1 ZINC000907477671 663697388 /nfs/dbraw/zinc/69/73/88/663697388.db2.gz GXAJYPVRYAQADY-SNVBAGLBSA-N -1 1 307.383 0.275 20 0 DCADMM COc1cnc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(F)c1 ZINC000907477952 663697958 /nfs/dbraw/zinc/69/79/58/663697958.db2.gz UKRNCYBNNFFUNL-SECBINFHSA-N -1 1 324.341 0.673 20 0 DCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479372 663700922 /nfs/dbraw/zinc/70/09/22/663700922.db2.gz CQTXPHMHTICRCV-KOLCDFICSA-N -1 1 321.410 0.429 20 0 DCADMM Cc1ccncc1CC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907481218 663701816 /nfs/dbraw/zinc/70/18/16/663701816.db2.gz UDHLODGRPAPJQT-NSHDSACASA-N -1 1 304.379 0.762 20 0 DCADMM C[C@@H](CC(=O)N1CCC(O)(c2nn[n-]n2)CC1)n1cccc1 ZINC000907942832 663725039 /nfs/dbraw/zinc/72/50/39/663725039.db2.gz BNNMTOAZOBRCEG-NSHDSACASA-N -1 1 304.354 0.463 20 0 DCADMM CCCN(C(=O)NCCN1CCCOCC1)[C@@H](CC)C(=O)[O-] ZINC000909106532 663782015 /nfs/dbraw/zinc/78/20/15/663782015.db2.gz AHGYBFHGKVWLRM-ZDUSSCGKSA-N -1 1 315.414 0.994 20 0 DCADMM COc1cccc(S([O-])=CC(=O)NC(C)(C)c2c[nH]nn2)c1 ZINC000909724091 663797829 /nfs/dbraw/zinc/79/78/29/663797829.db2.gz MAWDSSDQGUDNKP-QFIPXVFZSA-N -1 1 322.390 0.972 20 0 DCADMM O=C(c1c([O-])cnc2c(F)cccc21)N1C[C@@H](O)[C@H](CO)C1 ZINC000909885278 663814749 /nfs/dbraw/zinc/81/47/49/663814749.db2.gz RQELODAEOZJAFY-QPUJVOFHSA-N -1 1 306.293 0.505 20 0 DCADMM CN(C)S(=O)(=O)CCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909983724 663829119 /nfs/dbraw/zinc/82/91/19/663829119.db2.gz BBERHSIJGPIVAD-UHFFFAOYSA-N -1 1 308.306 0.890 20 0 DCADMM CN1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000910164969 663849023 /nfs/dbraw/zinc/84/90/23/663849023.db2.gz COEUGMHLNVQGFF-OJDYBEQGSA-N -1 1 310.394 0.545 20 0 DCADMM CCC(C)(C)[C@H](O)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000910174434 663849295 /nfs/dbraw/zinc/84/92/95/663849295.db2.gz TZYXPLQHMYINSN-WCQYABFASA-N -1 1 300.399 0.791 20 0 DCADMM CN(CC(=O)N1CCSC[C@H](C(=O)[O-])C1)[C@H]1CCSC1 ZINC000910146637 663850143 /nfs/dbraw/zinc/85/01/43/663850143.db2.gz FKOUVBYEILYMKP-MNOVXSKESA-N -1 1 318.464 0.700 20 0 DCADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cnn3ncccc23)CC1 ZINC000910177084 663851757 /nfs/dbraw/zinc/85/17/57/663851757.db2.gz JJGIFLMHDXHFMK-UHFFFAOYSA-N -1 1 317.349 0.350 20 0 DCADMM O=C([O-])[C@H](CNC(=O)CN1CCCC1)Cc1ccc(O)cc1 ZINC000911348610 664033488 /nfs/dbraw/zinc/03/34/88/664033488.db2.gz GPMBKYBNXKNUNN-ZDUSSCGKSA-N -1 1 306.362 0.848 20 0 DCADMM O=C([O-])[C@@H]1CCCN(CC(=O)N2C[C@H](O)Cc3ccccc32)C1 ZINC000911397412 664047698 /nfs/dbraw/zinc/04/76/98/664047698.db2.gz YPQIGEQSTSQCCB-ZIAGYGMSSA-N -1 1 318.373 0.733 20 0 DCADMM C[C@@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H](C)CN1CCO ZINC000911440077 664052390 /nfs/dbraw/zinc/05/23/90/664052390.db2.gz 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HBOSYZJMOLPMBV-NSHDSACASA-N -1 1 320.378 0.428 20 0 DCADMM Cc1c([N-]S(=O)(=O)CCCS(N)(=O)=O)n[nH]c1C1CC1 ZINC000848957892 685369661 /nfs/dbraw/zinc/36/96/61/685369661.db2.gz XLJXZLZMFSRDGM-UHFFFAOYSA-N -1 1 322.412 0.016 20 0 DCADMM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000848956912 685369678 /nfs/dbraw/zinc/36/96/78/685369678.db2.gz DDCPHGRISBJHIM-UHFFFAOYSA-N -1 1 323.396 0.036 20 0 DCADMM CO[C@H](C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001024946309 693848567 /nfs/dbraw/zinc/84/85/67/693848567.db2.gz HIGWCQRFMPUEID-YPMHNXCESA-N -1 1 323.397 0.406 20 0 DCADMM COc1cc[n-]c(=NNC(=O)NCc2cn3ccccc3n2)n1 ZINC000043477350 685058422 /nfs/dbraw/zinc/05/84/22/685058422.db2.gz YKHOYRNQUZJOLP-UHFFFAOYSA-N -1 1 313.321 0.959 20 0 DCADMM CN(C(=O)[C@H]1CCCO1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000953667262 685771841 /nfs/dbraw/zinc/77/18/41/685771841.db2.gz QAAYMMAVGPQRBE-GFCCVEGCSA-N -1 1 305.334 0.249 20 0 DCADMM CN(C(=O)c1cnsn1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000953804655 685851252 /nfs/dbraw/zinc/85/12/52/685851252.db2.gz JNMUKYYHQVJZNG-UHFFFAOYSA-N -1 1 319.346 0.235 20 0 DCADMM Cc1nocc1C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC000954125115 685949260 /nfs/dbraw/zinc/94/92/60/685949260.db2.gz CCBFZHKNGCDZKV-UHFFFAOYSA-N -1 1 316.317 0.680 20 0 DCADMM CN(C(=O)c1cc[nH]c1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000954479154 686033028 /nfs/dbraw/zinc/03/30/28/686033028.db2.gz JRHQPQXTGBDFJG-UHFFFAOYSA-N -1 1 300.318 0.712 20 0 DCADMM Cc1ccccc1C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001038027049 693991566 /nfs/dbraw/zinc/99/15/66/693991566.db2.gz DPQCZENBPUSKDZ-GFCCVEGCSA-N -1 1 315.377 0.421 20 0 DCADMM C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000955125625 686292865 /nfs/dbraw/zinc/29/28/65/686292865.db2.gz XPVKJAFWSGFCGW-CMPLNLGQSA-N -1 1 319.361 0.495 20 0 DCADMM Cc1nnc(CN2CC[C@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001038193860 694010005 /nfs/dbraw/zinc/01/00/05/694010005.db2.gz MGFOXIIYUFJDKU-JTQLQIEISA-N -1 1 303.322 0.483 20 0 DCADMM C[C@]1(NC(=O)[C@H]2CCCO2)CCN(C(=O)c2ncccc2[O-])C1 ZINC000956669969 686778425 /nfs/dbraw/zinc/77/84/25/686778425.db2.gz LVBAMXREIBYCRM-WBMJQRKESA-N -1 1 319.361 0.687 20 0 DCADMM C[C@]1(NC(=O)c2ccn[nH]2)CCN(C(=O)c2ncccc2[O-])C1 ZINC000956726518 686807473 /nfs/dbraw/zinc/80/74/73/686807473.db2.gz HSXJWKXHDZIFQI-HNNXBMFYSA-N -1 1 315.333 0.545 20 0 DCADMM CO[C@@H](C)C(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC000956849436 686882223 /nfs/dbraw/zinc/88/22/23/686882223.db2.gz RNJBEOYIBRASNB-BONVTDFDSA-N -1 1 307.350 0.543 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000958830359 687948403 /nfs/dbraw/zinc/94/84/03/687948403.db2.gz QZMJYWINKHOXEI-ZPFDUUQYSA-N -1 1 319.361 0.087 20 0 DCADMM COCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000959006702 688024580 /nfs/dbraw/zinc/02/45/80/688024580.db2.gz GQXBCSPCKPJOBL-WDEREUQCSA-N -1 1 307.350 0.400 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC000959806711 688221620 /nfs/dbraw/zinc/22/16/20/688221620.db2.gz IUKRKQPRDXYEMM-RVMXOQNASA-N -1 1 315.373 0.974 20 0 DCADMM O=C(C[C@H]1CCCO1)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000959893040 688252724 /nfs/dbraw/zinc/25/27/24/688252724.db2.gz ZKALBHOZITXFQB-NWDGAFQWSA-N -1 1 323.397 0.550 20 0 DCADMM Cc1nc(C(=O)N2CCCC[C@H]2CNCc2n[nH]c(=O)[n-]2)c[nH]1 ZINC000959920875 688261257 /nfs/dbraw/zinc/26/12/57/688261257.db2.gz SYXOOOOXDMLNHK-JTQLQIEISA-N -1 1 319.369 0.326 20 0 DCADMM CC(C)(O)CC(=O)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000959979615 688272571 /nfs/dbraw/zinc/27/25/71/688272571.db2.gz AILAYZDKIOLHEG-JTQLQIEISA-N -1 1 311.386 0.142 20 0 DCADMM O=C(c1ccsn1)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000960039052 688285479 /nfs/dbraw/zinc/28/54/79/688285479.db2.gz VNFBJFISOSDEJC-VIFPVBQESA-N -1 1 322.394 0.751 20 0 DCADMM COCCN1CC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001038922756 694241153 /nfs/dbraw/zinc/24/11/53/694241153.db2.gz PXQJMTFEYYNNQL-VIFPVBQESA-N -1 1 306.322 0.379 20 0 DCADMM COCC(=O)N1CCC2(C[C@@H]2NC(=O)c2ncccc2[O-])CC1 ZINC000963684503 689082883 /nfs/dbraw/zinc/08/28/83/689082883.db2.gz SGYXERQYWROBEX-LBPRGKRZSA-N -1 1 319.361 0.545 20 0 DCADMM C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1CCCC1 ZINC000964624213 689272921 /nfs/dbraw/zinc/27/29/21/689272921.db2.gz QVEQXGRXOURNRA-WCQYABFASA-N -1 1 321.425 0.625 20 0 DCADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1cnco1 ZINC000966334723 689728778 /nfs/dbraw/zinc/72/87/78/689728778.db2.gz YPAOZJVWIQWEAQ-VHSXEESVSA-N -1 1 316.317 0.666 20 0 DCADMM O=C(Cc1cccs1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000966341067 689730493 /nfs/dbraw/zinc/73/04/93/689730493.db2.gz XOXHHUQTJLQZBF-SECBINFHSA-N -1 1 307.379 0.505 20 0 DCADMM COCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC000967007892 689915316 /nfs/dbraw/zinc/91/53/16/689915316.db2.gz DIEPPNJYMXNFJM-GFCCVEGCSA-N -1 1 321.377 0.791 20 0 DCADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)c2cc[nH]n2)C1 ZINC000967902179 690117738 /nfs/dbraw/zinc/11/77/38/690117738.db2.gz VGGDTLBLRMYEIY-UHFFFAOYSA-N -1 1 315.333 0.497 20 0 DCADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)c2ccn[nH]2)C1 ZINC000967902179 690117740 /nfs/dbraw/zinc/11/77/40/690117740.db2.gz VGGDTLBLRMYEIY-UHFFFAOYSA-N -1 1 315.333 0.497 20 0 DCADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)c2cnco2)C1 ZINC000967907669 690119042 /nfs/dbraw/zinc/11/90/42/690119042.db2.gz OVUWSXNLERPPNJ-UHFFFAOYSA-N -1 1 316.317 0.762 20 0 DCADMM C[C@H](C(N)=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001039363285 694347967 /nfs/dbraw/zinc/34/79/67/694347967.db2.gz IJJHHPCZXZSSJB-UTUOFQBUSA-N -1 1 318.377 0.340 20 0 DCADMM CCc1nc(CN[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)no1 ZINC000968478385 690287402 /nfs/dbraw/zinc/28/74/02/690287402.db2.gz SOAKCNJOZNIHMF-SNVBAGLBSA-N -1 1 317.349 0.737 20 0 DCADMM CC(C)n1nccc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000968798483 690393334 /nfs/dbraw/zinc/39/33/34/690393334.db2.gz QNTLYHAOSVOZPX-SNVBAGLBSA-N -1 1 319.369 0.292 20 0 DCADMM CSCC(=O)N1CC([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001005953190 690547358 /nfs/dbraw/zinc/54/73/58/690547358.db2.gz SAHUAIQITFREDG-SECBINFHSA-N -1 1 309.391 0.727 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H](NC(=O)C3CC(C)(C)C3)C2)nc1=O ZINC001007261631 690651863 /nfs/dbraw/zinc/65/18/63/690651863.db2.gz AGWYVOLSWHYTCP-GFCCVEGCSA-N -1 1 321.425 0.625 20 0 DCADMM Cn1[n-]c(CN2CC[C@H](NC(=O)C3CCCCC3)C2)nc1=O ZINC001009942863 691135768 /nfs/dbraw/zinc/13/57/68/691135768.db2.gz NQMQRCLTCJPPIZ-LBPRGKRZSA-N -1 1 307.398 0.379 20 0 DCADMM O=C(C1=COCCC1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001010643894 691335407 /nfs/dbraw/zinc/33/54/07/691335407.db2.gz FLQZDUDVGHNBOI-UHFFFAOYSA-N -1 1 317.345 0.766 20 0 DCADMM Cc1nnc([C@@H](C)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)[nH]1 ZINC001010732143 691364864 /nfs/dbraw/zinc/36/48/64/691364864.db2.gz LKZVAKDGYXDVII-MWLCHTKSSA-N -1 1 316.365 0.779 20 0 DCADMM C[C@@H]1[C@H](NC(=O)c2cn[nH]c2)CCN1C(=O)c1ncccc1[O-] ZINC001011671245 691597721 /nfs/dbraw/zinc/59/77/21/691597721.db2.gz GCHWEYXDGDBABL-MWLCHTKSSA-N -1 1 315.333 0.543 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CN1C(=O)c1ccon1 ZINC001012350412 691762117 /nfs/dbraw/zinc/76/21/17/691762117.db2.gz YPBXMFJAFTUZRU-VHSXEESVSA-N -1 1 316.317 0.808 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H](NC(=O)C34CCC(CC3)C4)C2)nc1=O ZINC001014953121 692141092 /nfs/dbraw/zinc/14/10/92/692141092.db2.gz RWPCAVDXPYXDGW-BWBHSNQOSA-N -1 1 319.409 0.379 20 0 DCADMM Cn1[n-]c(CN2CC[C@H](NC(=O)C3(C)CC=CC3)C2)nc1=O ZINC001015652540 692380862 /nfs/dbraw/zinc/38/08/62/692380862.db2.gz AOLVFABUHUGAJW-NSHDSACASA-N -1 1 305.382 0.155 20 0 DCADMM CN(C(=O)c1ncccc1[O-])C1CC(NC(=O)c2ccon2)C1 ZINC001016432175 692687665 /nfs/dbraw/zinc/68/76/65/692687665.db2.gz VEYLEAWSSNJRPF-UHFFFAOYSA-N -1 1 316.317 0.808 20 0 DCADMM CO[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)c1ncccc1[O-])C2 ZINC001018843132 693258953 /nfs/dbraw/zinc/25/89/53/693258953.db2.gz DRKMMCWJCHCYAK-NSHDSACASA-N -1 1 319.361 0.497 20 0 DCADMM Cc1cncc(CC(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1 ZINC001019192635 693383278 /nfs/dbraw/zinc/38/32/78/693383278.db2.gz KOKKBTPHNRDJJZ-LBPRGKRZSA-N -1 1 316.365 0.147 20 0 DCADMM CC(C)c1[nH]ccc1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019269594 693413460 /nfs/dbraw/zinc/41/34/60/693413460.db2.gz VIPMOUOATALCPX-JTQLQIEISA-N -1 1 318.381 0.966 20 0 DCADMM O=C([C@@H](F)c1ccccc1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019440545 693474787 /nfs/dbraw/zinc/47/47/87/693474787.db2.gz KALLRHZNNAMBFG-AAEUAGOBSA-N -1 1 319.340 0.912 20 0 DCADMM O=C([C@H](F)c1ccccc1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019440546 693474922 /nfs/dbraw/zinc/47/49/22/693474922.db2.gz KALLRHZNNAMBFG-WCQYABFASA-N -1 1 319.340 0.912 20 0 DCADMM C[C@@H](CC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1)c1ccco1 ZINC001019666331 693560765 /nfs/dbraw/zinc/56/07/65/693560765.db2.gz GZEWTSUJJRYRSN-QWRGUYRKSA-N -1 1 319.365 0.988 20 0 DCADMM Cc1nc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)sc1C ZINC001019790867 693589423 /nfs/dbraw/zinc/58/94/23/693589423.db2.gz QEFLMUNSXPITEQ-VIFPVBQESA-N -1 1 322.394 0.588 20 0 DCADMM C[C@@H](C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1)C1CCOCC1 ZINC001019895923 693618219 /nfs/dbraw/zinc/61/82/19/693618219.db2.gz PYNXKZOVIIFRKD-PWSUYJOCSA-N -1 1 323.397 0.264 20 0 DCADMM COCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001073900201 694798918 /nfs/dbraw/zinc/79/89/18/694798918.db2.gz HMZRZYAUTGFENT-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM CC(C)C(=O)NCC1(O)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001074558287 694907595 /nfs/dbraw/zinc/90/75/95/694907595.db2.gz BLLBTJYWALGXRK-UHFFFAOYSA-N -1 1 321.377 0.527 20 0 DCADMM C[C@@H](CCNC(=O)c1cnccn1)NC(=O)c1ncccc1[O-] ZINC001075459559 694951966 /nfs/dbraw/zinc/95/19/66/694951966.db2.gz RKQBTHGKOHTDSZ-JTQLQIEISA-N -1 1 315.333 0.516 20 0 DCADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1cn(C)cn1 ZINC001076243827 695008187 /nfs/dbraw/zinc/00/81/87/695008187.db2.gz AHVHPRWOQIWQTH-JTQLQIEISA-N -1 1 317.349 0.459 20 0 DCADMM Cc1ncc(C(=O)N[C@@H](C)CCNC(=O)c2ncccc2[O-])[nH]1 ZINC001076244192 695008260 /nfs/dbraw/zinc/00/82/60/695008260.db2.gz LWBYUZUGWBJKOC-VIFPVBQESA-N -1 1 317.349 0.757 20 0 DCADMM CC/C=C(\C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@H](C)C1 ZINC001570430435 1162512886 /nfs/dbraw/zinc/51/28/86/1162512886.db2.gz CMIUXURULPGALG-WXYBXBMJSA-N -1 1 321.425 0.934 20 0 DCADMM CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001570741232 1162607986 /nfs/dbraw/zinc/60/79/86/1162607986.db2.gz HSURBUSESWOWER-UHFFFAOYSA-N -1 1 300.278 0.420 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001691484220 1157802090 /nfs/dbraw/zinc/80/20/90/1157802090.db2.gz SXCCYKMQNUVLRS-NXEZZACHSA-N -1 1 305.338 0.455 20 0 DCADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@]2(F)CCOC2)CCC1 ZINC001649848504 1158213902 /nfs/dbraw/zinc/21/39/02/1158213902.db2.gz DDHHIJNCORVCSO-GFCCVEGCSA-N -1 1 308.375 0.045 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001691561673 1158339769 /nfs/dbraw/zinc/33/97/69/1158339769.db2.gz QZWGRLDVPLURRK-QWHCGFSZSA-N -1 1 315.377 0.862 20 0 DCADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1COC(C)(C)C1)C1CC1 ZINC001649920454 1158626735 /nfs/dbraw/zinc/62/67/35/1158626735.db2.gz DGSRQIFYSTUFEF-MNOVXSKESA-N -1 1 305.396 0.815 20 0 DCADMM COCCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H](C)C1 ZINC001649113308 1158645516 /nfs/dbraw/zinc/64/55/16/1158645516.db2.gz GZDILDOWQGFAJW-SNVBAGLBSA-N -1 1 306.374 0.265 20 0 DCADMM COCCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H](C)C1 ZINC001649113308 1158645518 /nfs/dbraw/zinc/64/55/18/1158645518.db2.gz GZDILDOWQGFAJW-SNVBAGLBSA-N -1 1 306.374 0.265 20 0 DCADMM C[C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082583932 1158754011 /nfs/dbraw/zinc/75/40/11/1158754011.db2.gz AXVADSWTWDVTRP-HRDYMLBCSA-N -1 1 315.324 0.492 20 0 DCADMM CS[C@@H](C)C(=O)NCCCN(Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001691701533 1158911984 /nfs/dbraw/zinc/91/19/84/1158911984.db2.gz NTCXUGVUBJGVRD-JTQLQIEISA-N -1 1 315.443 0.979 20 0 DCADMM Cc1nc2sccn2c1C(=O)NCCCc1nc([O-])n[nH]1 ZINC000863893801 1158925732 /nfs/dbraw/zinc/92/57/32/1158925732.db2.gz YMIRXMWVTJWBME-UHFFFAOYSA-N -1 1 306.351 0.891 20 0 DCADMM C[C@@H](CCCNC(=O)c1ncccc1[O-])NC(=O)c1cn[nH]c1 ZINC001572082083 1163017778 /nfs/dbraw/zinc/01/77/78/1163017778.db2.gz HNTWSXKTIAZHAW-JTQLQIEISA-N -1 1 317.349 0.839 20 0 DCADMM O=C(c1ccc([O-])cn1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC001445956662 1159325239 /nfs/dbraw/zinc/32/52/39/1159325239.db2.gz KBIRITQRCBDMMV-CHWSQXEVSA-N -1 1 310.375 0.969 20 0 DCADMM COc1cc(NC(C)=O)ccc1NC(=O)CCc1nn[n-]n1 ZINC001446355697 1159392726 /nfs/dbraw/zinc/39/27/26/1159392726.db2.gz MYZBMOLEJDTAKF-UHFFFAOYSA-N -1 1 304.310 0.738 20 0 DCADMM Cn1[n-]c(CN2CC[C@](C)(NC(=O)CC3(C)CC3)C2)nc1=O ZINC001446545351 1159463555 /nfs/dbraw/zinc/46/35/55/1159463555.db2.gz TTYLQPMCWCBMPC-HNNXBMFYSA-N -1 1 307.398 0.379 20 0 DCADMM CO[C@@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1)C(C)C ZINC001447240999 1159603074 /nfs/dbraw/zinc/60/30/74/1159603074.db2.gz JARATUKBWYXARC-LLVKDONJSA-N -1 1 311.386 0.310 20 0 DCADMM [NH3+]CC[C@H]([N-]S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])C(F)F ZINC001608257092 1159803147 /nfs/dbraw/zinc/80/31/47/1159803147.db2.gz SVGAARRWNDGOMD-CIUDSAMLSA-N -1 1 314.354 0.532 20 0 DCADMM COCCOc1ncccc1CNC(=O)CCCc1nn[n-]n1 ZINC001542350571 1159812322 /nfs/dbraw/zinc/81/23/22/1159812322.db2.gz KKFJMAGMRMBSOK-UHFFFAOYSA-N -1 1 320.353 0.259 20 0 DCADMM O=C(NCc1nn[n-]n1)c1cnc2c(F)cc(F)cc2c1O ZINC001542881327 1159816412 /nfs/dbraw/zinc/81/64/12/1159816412.db2.gz FNPINTOMTBSAJI-UHFFFAOYSA-N -1 1 306.232 0.249 20 0 DCADMM Cc1cc(Br)c(N)c(C(=O)NCc2nn[n-]n2)c1 ZINC001565584602 1159887102 /nfs/dbraw/zinc/88/71/02/1159887102.db2.gz BVFYDEDVCGJHFW-UHFFFAOYSA-N -1 1 311.143 0.783 20 0 DCADMM COC(=O)C[C@H]1CN(C(=O)c2cc(C)cc(C=O)c2[O-])CCO1 ZINC001566138155 1159969507 /nfs/dbraw/zinc/96/95/07/1159969507.db2.gz YTUSOEBMLKDSBX-LBPRGKRZSA-N -1 1 321.329 0.917 20 0 DCADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)[N-]OCC(N)=O)C1 ZINC001566981059 1160201175 /nfs/dbraw/zinc/20/11/75/1160201175.db2.gz YWKZRPNCVCPHBG-VHSXEESVSA-N -1 1 315.370 0.603 20 0 DCADMM CCOC(=O)C1(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)CC1 ZINC001567839734 1160497237 /nfs/dbraw/zinc/49/72/37/1160497237.db2.gz UQLKIEGYNGZJCZ-UHFFFAOYSA-N -1 1 311.363 0.852 20 0 DCADMM O=C(NC/C=C\CNCc1cnns1)c1ncccc1[O-] ZINC001568839373 1160800982 /nfs/dbraw/zinc/80/09/82/1160800982.db2.gz BISCRGXBTUJGNA-UPHRSURJSA-N -1 1 305.363 0.715 20 0 DCADMM O=C(NC/C=C/CNCc1cnns1)c1ncccc1[O-] ZINC001568839372 1160802522 /nfs/dbraw/zinc/80/25/22/1160802522.db2.gz BISCRGXBTUJGNA-OWOJBTEDSA-N -1 1 305.363 0.715 20 0 DCADMM CC(C)C[C@@H](CNC(=O)CN(C)[C@@H]1CCC[C@H]1O)NC(=O)[O-] ZINC001573501789 1163451789 /nfs/dbraw/zinc/45/17/89/1163451789.db2.gz IWLDLXVMDOBHGX-YNEHKIRRSA-N -1 1 315.414 0.630 20 0 DCADMM C[C@H](NC(=O)c1cc(CN(C)C)on1)c1nc(C(=O)[O-])n[nH]1 ZINC001573569427 1163505448 /nfs/dbraw/zinc/50/54/48/1163505448.db2.gz XLEZWKYRYGKYNA-LURJTMIESA-N -1 1 308.298 0.044 20 0 DCADMM CC[N@@H+](CCC(=O)NC)Cc1cnc2c(C(=O)[O-])cnn2c1 ZINC001573771363 1163548417 /nfs/dbraw/zinc/54/84/17/1163548417.db2.gz WOHZPOWKASLIKI-UHFFFAOYSA-N -1 1 305.338 0.386 20 0 DCADMM CCN(CCC(=O)NC)Cc1cnc2c(C(=O)[O-])cnn2c1 ZINC001573771363 1163548423 /nfs/dbraw/zinc/54/84/23/1163548423.db2.gz WOHZPOWKASLIKI-UHFFFAOYSA-N -1 1 305.338 0.386 20 0 DCADMM CN(C(=O)Cc1n[nH]c(C2CC2)n1)c1ncc(CC(=O)[O-])s1 ZINC001573853300 1163568629 /nfs/dbraw/zinc/56/86/29/1163568629.db2.gz ZMWYCRWTCXGSOR-UHFFFAOYSA-N -1 1 321.362 0.971 20 0 DCADMM CN(CCc1ccccc1)CC(=O)NCc1[nH]cnc1C(=O)[O-] ZINC001573872743 1163573769 /nfs/dbraw/zinc/57/37/69/1163573769.db2.gz IMYULSAFKAEFHO-UHFFFAOYSA-N -1 1 316.361 0.899 20 0 DCADMM CC(C)C[C@@H]1C[C@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001574236575 1163670774 /nfs/dbraw/zinc/67/07/74/1163670774.db2.gz JLIMDUPCHFAFPL-RKDXNWHRSA-N -1 1 319.369 0.111 20 0 DCADMM NC(=O)[C@H]1CCCN(Cc2cnc3c(C(=O)[O-])cnn3c2)C1 ZINC001574247131 1163673813 /nfs/dbraw/zinc/67/38/13/1163673813.db2.gz AFFSBHITOACCTI-JTQLQIEISA-N -1 1 303.322 0.125 20 0 DCADMM NC(=O)Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001574255245 1163676067 /nfs/dbraw/zinc/67/60/67/1163676067.db2.gz VDRMVIXZRPTZAG-GFCCVEGCSA-N -1 1 319.361 0.450 20 0 DCADMM NC(=O)c1cccc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC001574259452 1163677881 /nfs/dbraw/zinc/67/78/81/1163677881.db2.gz PJANZQWAQOQOOJ-ZDUSSCGKSA-N -1 1 319.361 0.198 20 0 DCADMM O=C([O-])[C@@H]1[C@@H]2CCN(CC(=O)NC(=O)Nc3ccccc3)C[C@@H]21 ZINC001574300122 1163689464 /nfs/dbraw/zinc/68/94/64/1163689464.db2.gz BHHUTVOLVXPKDB-MBNYWOFBSA-N -1 1 317.345 0.987 20 0 DCADMM O=C([O-])Cc1csc(CNC(=O)CCN2CC[C@H](F)C2)n1 ZINC001574375387 1163709208 /nfs/dbraw/zinc/70/92/08/1163709208.db2.gz MXTJJPDKABJZFP-VIFPVBQESA-N -1 1 315.370 0.820 20 0 DCADMM O=C([O-])N1C[C@H](CO)[C@H](NCc2ccc(-c3cc[nH]n3)o2)C1 ZINC001574377626 1163711059 /nfs/dbraw/zinc/71/10/59/1163711059.db2.gz VRCHIBDXIMGOCD-BXKDBHETSA-N -1 1 306.322 0.730 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001574414495 1163718023 /nfs/dbraw/zinc/71/80/23/1163718023.db2.gz APEOZBQNGQDZQV-VIFPVBQESA-N -1 1 304.310 0.106 20 0 DCADMM O=C([O-])N1C[C@H](NCc2ccc3c(c2)NC(=O)CO3)[C@@H](CO)C1 ZINC001574430952 1163723097 /nfs/dbraw/zinc/72/30/97/1163723097.db2.gz PZRJNBFQVIPLRA-PWSUYJOCSA-N -1 1 321.333 0.078 20 0 DCADMM C[C@@H](CCNC(=O)C1(C)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574586053 1163733090 /nfs/dbraw/zinc/73/30/90/1163733090.db2.gz AUMOBWYMXQFEJO-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNC(=O)C1(C)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574586053 1163733094 /nfs/dbraw/zinc/73/30/94/1163733094.db2.gz AUMOBWYMXQFEJO-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM O=C([O-])c1cccc(CNC(=O)NCCN2CCC(O)CC2)c1 ZINC001574812407 1163757612 /nfs/dbraw/zinc/75/76/12/1163757612.db2.gz KPBWZKPWWIQBIL-UHFFFAOYSA-N -1 1 321.377 0.641 20 0 DCADMM C[C@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)CC1CC1 ZINC001574812465 1163758087 /nfs/dbraw/zinc/75/80/87/1163758087.db2.gz IEHBJYZGMOLBGE-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)CC1CC1 ZINC001574812465 1163758094 /nfs/dbraw/zinc/75/80/94/1163758094.db2.gz IEHBJYZGMOLBGE-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574839556 1163765797 /nfs/dbraw/zinc/76/57/97/1163765797.db2.gz DLKKDKFETCGLSJ-LDYMZIIASA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574839556 1163765800 /nfs/dbraw/zinc/76/58/00/1163765800.db2.gz DLKKDKFETCGLSJ-LDYMZIIASA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574840384 1163768273 /nfs/dbraw/zinc/76/82/73/1163768273.db2.gz JCVFJMRETBULJO-LDYMZIIASA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574840384 1163768276 /nfs/dbraw/zinc/76/82/76/1163768276.db2.gz JCVFJMRETBULJO-LDYMZIIASA-N -1 1 322.348 0.567 20 0 DCADMM C[C@@H](CNC(=O)C1CCC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574868606 1163779215 /nfs/dbraw/zinc/77/92/15/1163779215.db2.gz LLUJSARZGKDIHJ-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CNC(=O)C1CCC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574868606 1163779218 /nfs/dbraw/zinc/77/92/18/1163779218.db2.gz LLUJSARZGKDIHJ-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CNC(=O)CC1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574896696 1163789516 /nfs/dbraw/zinc/78/95/16/1163789516.db2.gz GRSRQKNHLVJWEW-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)CC1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574896696 1163789527 /nfs/dbraw/zinc/78/95/27/1163789527.db2.gz GRSRQKNHLVJWEW-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)CC1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574896695 1163789848 /nfs/dbraw/zinc/78/98/48/1163789848.db2.gz GRSRQKNHLVJWEW-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)CC1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574896695 1163789853 /nfs/dbraw/zinc/78/98/53/1163789853.db2.gz GRSRQKNHLVJWEW-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)CC1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574896491 1163789872 /nfs/dbraw/zinc/78/98/72/1163789872.db2.gz YCZNQEHPIJYVKT-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CNC(=O)CC1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574896491 1163789876 /nfs/dbraw/zinc/78/98/76/1163789876.db2.gz YCZNQEHPIJYVKT-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CNC(=O)CCCF)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574904724 1163792381 /nfs/dbraw/zinc/79/23/81/1163792381.db2.gz QSCPLGUWGZUDCD-VIFPVBQESA-N -1 1 322.348 0.571 20 0 DCADMM C[C@H](CNC(=O)CCCF)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574904724 1163792387 /nfs/dbraw/zinc/79/23/87/1163792387.db2.gz QSCPLGUWGZUDCD-VIFPVBQESA-N -1 1 322.348 0.571 20 0 DCADMM C[C@](O)(CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001575469085 1164024397 /nfs/dbraw/zinc/02/43/97/1164024397.db2.gz ILOJETHOYILIFQ-AWEZNQCLSA-N -1 1 313.321 0.826 20 0 DCADMM C[C@](O)(CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001575469085 1164024403 /nfs/dbraw/zinc/02/44/03/1164024403.db2.gz ILOJETHOYILIFQ-AWEZNQCLSA-N -1 1 313.321 0.826 20 0 DCADMM C[C@@H](O)[C@@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001575475635 1164027804 /nfs/dbraw/zinc/02/78/04/1164027804.db2.gz XJTZSVMMKXAKQK-KCJUWKMLSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@@H](O)[C@@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001575475635 1164027811 /nfs/dbraw/zinc/02/78/11/1164027811.db2.gz XJTZSVMMKXAKQK-KCJUWKMLSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@@H](O)[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCO1 ZINC001575475296 1164027819 /nfs/dbraw/zinc/02/78/19/1164027819.db2.gz UXAQLAUCCRWILB-RITPCOANSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H](O)[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001575475296 1164027827 /nfs/dbraw/zinc/02/78/27/1164027827.db2.gz UXAQLAUCCRWILB-RITPCOANSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1C[C@@H](C(=O)NCCCNC(=O)c2ncccc2[O-])CO1 ZINC001575795232 1164154433 /nfs/dbraw/zinc/15/44/33/1164154433.db2.gz YMJPMYJDDHGKOF-GHMZBOCLSA-N -1 1 307.350 0.448 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576081568 1164234233 /nfs/dbraw/zinc/23/42/33/1164234233.db2.gz JFUJSIXIRGABNG-KCJUWKMLSA-N -1 1 318.406 0.885 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576084390 1164236815 /nfs/dbraw/zinc/23/68/15/1164236815.db2.gz JHLMMFYSZGVAEU-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576084390 1164236823 /nfs/dbraw/zinc/23/68/23/1164236823.db2.gz JHLMMFYSZGVAEU-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001576098737 1164240932 /nfs/dbraw/zinc/24/09/32/1164240932.db2.gz BGHLQLHGBXRTLD-KHQFGBGNSA-N -1 1 318.337 0.574 20 0 DCADMM C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001576098737 1164240939 /nfs/dbraw/zinc/24/09/39/1164240939.db2.gz BGHLQLHGBXRTLD-KHQFGBGNSA-N -1 1 318.337 0.574 20 0 DCADMM CCC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576406504 1164329621 /nfs/dbraw/zinc/32/96/21/1164329621.db2.gz BOUHYDDHKYAMQL-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576406504 1164329630 /nfs/dbraw/zinc/32/96/30/1164329630.db2.gz BOUHYDDHKYAMQL-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N(CC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576410435 1164330900 /nfs/dbraw/zinc/33/09/00/1164330900.db2.gz JCEOCXXEMBCCBP-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N(CC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576410435 1164330907 /nfs/dbraw/zinc/33/09/07/1164330907.db2.gz JCEOCXXEMBCCBP-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576415626 1164334808 /nfs/dbraw/zinc/33/48/08/1164334808.db2.gz YMPFJRDFCZFFQG-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576415626 1164334815 /nfs/dbraw/zinc/33/48/15/1164334815.db2.gz YMPFJRDFCZFFQG-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576577289 1164402491 /nfs/dbraw/zinc/40/24/91/1164402491.db2.gz WCQXDAKQXWESPE-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576577289 1164402497 /nfs/dbraw/zinc/40/24/97/1164402497.db2.gz WCQXDAKQXWESPE-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576606238 1164410813 /nfs/dbraw/zinc/41/08/13/1164410813.db2.gz QDYKMOHCOVAODD-PSASIEDQSA-N -1 1 318.385 0.928 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576606238 1164410817 /nfs/dbraw/zinc/41/08/17/1164410817.db2.gz QDYKMOHCOVAODD-PSASIEDQSA-N -1 1 318.385 0.928 20 0 DCADMM CCC(CC)C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576731406 1164445871 /nfs/dbraw/zinc/44/58/71/1164445871.db2.gz VXOJXUMGUZNEHZ-VIFPVBQESA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576774391 1164459042 /nfs/dbraw/zinc/45/90/42/1164459042.db2.gz MIVONGIMXWTKBZ-UWVGGRQHSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](CC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576778622 1164460842 /nfs/dbraw/zinc/46/08/42/1164460842.db2.gz VVHUVELEPYYMGW-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576778622 1164460845 /nfs/dbraw/zinc/46/08/45/1164460845.db2.gz VVHUVELEPYYMGW-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001576928217 1164536595 /nfs/dbraw/zinc/53/65/95/1164536595.db2.gz SIOGJVWYAUHLMR-SECBINFHSA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001576928217 1164536603 /nfs/dbraw/zinc/53/66/03/1164536603.db2.gz SIOGJVWYAUHLMR-SECBINFHSA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@H](F)C(=O)N(CC)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576928774 1164538487 /nfs/dbraw/zinc/53/84/87/1164538487.db2.gz YPLDDCOAVXMXOQ-VIFPVBQESA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@H](F)C(=O)N(CC)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576928774 1164538490 /nfs/dbraw/zinc/53/84/90/1164538490.db2.gz YPLDDCOAVXMXOQ-VIFPVBQESA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576940832 1164548102 /nfs/dbraw/zinc/54/81/02/1164548102.db2.gz LPPDUNJUSCYJKT-BDAKNGLRSA-N -1 1 322.348 0.133 20 0 DCADMM CCCC(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577184770 1164626046 /nfs/dbraw/zinc/62/60/46/1164626046.db2.gz MPTFCFVIACUXMY-UHFFFAOYSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577184770 1164626056 /nfs/dbraw/zinc/62/60/56/1164626056.db2.gz MPTFCFVIACUXMY-UHFFFAOYSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577200033 1164630963 /nfs/dbraw/zinc/63/09/63/1164630963.db2.gz FDIBTJNUSLIMPO-JTQLQIEISA-N -1 1 316.369 0.778 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577200033 1164630968 /nfs/dbraw/zinc/63/09/68/1164630968.db2.gz FDIBTJNUSLIMPO-JTQLQIEISA-N -1 1 316.369 0.778 20 0 DCADMM CCCC(=O)NC[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001577213427 1164636690 /nfs/dbraw/zinc/63/66/90/1164636690.db2.gz CHKVBRFIVCRYSR-VIFPVBQESA-N -1 1 318.385 0.929 20 0 DCADMM CCCC(=O)NC[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001577213427 1164636691 /nfs/dbraw/zinc/63/66/91/1164636691.db2.gz CHKVBRFIVCRYSR-VIFPVBQESA-N -1 1 318.385 0.929 20 0 DCADMM CCCC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001577214055 1164637827 /nfs/dbraw/zinc/63/78/27/1164637827.db2.gz XJRAPSUCNPQLLI-NSHDSACASA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001577214055 1164637832 /nfs/dbraw/zinc/63/78/32/1164637832.db2.gz XJRAPSUCNPQLLI-NSHDSACASA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577218908 1164639943 /nfs/dbraw/zinc/63/99/43/1164639943.db2.gz OBXSHRRUUIIHBO-AOOOYVTPSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577218908 1164639951 /nfs/dbraw/zinc/63/99/51/1164639951.db2.gz OBXSHRRUUIIHBO-AOOOYVTPSA-N -1 1 316.369 0.764 20 0 DCADMM CCC[C@@H](C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577270019 1164655401 /nfs/dbraw/zinc/65/54/01/1164655401.db2.gz PUHDTSKBDSNHRO-NXEZZACHSA-N -1 1 318.385 0.431 20 0 DCADMM CCCCC(=O)NCCN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001577424890 1164690035 /nfs/dbraw/zinc/69/00/35/1164690035.db2.gz KOZXGAKIQHSKHO-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCCC(=O)NCCN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001577424890 1164690045 /nfs/dbraw/zinc/69/00/45/1164690045.db2.gz KOZXGAKIQHSKHO-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCN(CCNC(=O)C(C)C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577582127 1164729828 /nfs/dbraw/zinc/72/98/28/1164729828.db2.gz NVCDXFBKIVPCKZ-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCNC(C)=O)c1snc(Cl)c1-c1nnn[n-]1 ZINC001578105070 1164923798 /nfs/dbraw/zinc/92/37/98/1164923798.db2.gz KAAYLFBMOYDCKB-UHFFFAOYSA-N -1 1 315.790 0.939 20 0 DCADMM CCN(CCNC(C)=O)c1snc(Cl)c1-c1nn[n-]n1 ZINC001578105070 1164923803 /nfs/dbraw/zinc/92/38/03/1164923803.db2.gz KAAYLFBMOYDCKB-UHFFFAOYSA-N -1 1 315.790 0.939 20 0 DCADMM CCOC(=O)NCCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001578247241 1164963813 /nfs/dbraw/zinc/96/38/13/1164963813.db2.gz BVXQNDXBPBNAMS-UHFFFAOYSA-N -1 1 324.366 0.681 20 0 DCADMM CCO[C@H]1C[C@@H](NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001578383382 1164993975 /nfs/dbraw/zinc/99/39/75/1164993975.db2.gz OJRAWFWIBSEZDJ-DTORHVGOSA-N -1 1 318.337 0.573 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCNC(=O)C(C)C)n1 ZINC001578573348 1165064880 /nfs/dbraw/zinc/06/48/80/1165064880.db2.gz SQBYJDSYDZHPBY-UHFFFAOYSA-N -1 1 318.385 0.428 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCNC(=O)C(C)C)n1 ZINC001578573348 1165064890 /nfs/dbraw/zinc/06/48/90/1165064890.db2.gz SQBYJDSYDZHPBY-UHFFFAOYSA-N -1 1 318.385 0.428 20 0 DCADMM CN(C(=O)C1CC1)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001578848391 1165140265 /nfs/dbraw/zinc/14/02/65/1165140265.db2.gz IVAFOOJNSAFDKC-UHFFFAOYSA-N -1 1 314.353 0.468 20 0 DCADMM CN(C(=O)C1CC1)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001578848391 1165140268 /nfs/dbraw/zinc/14/02/68/1165140268.db2.gz IVAFOOJNSAFDKC-UHFFFAOYSA-N -1 1 314.353 0.468 20 0 DCADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(O)c1 ZINC001578888744 1165152686 /nfs/dbraw/zinc/15/26/86/1165152686.db2.gz XOPXJQSSHCKAKD-UHFFFAOYSA-N -1 1 314.309 0.974 20 0 DCADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(O)c1 ZINC001578888744 1165152688 /nfs/dbraw/zinc/15/26/88/1165152688.db2.gz XOPXJQSSHCKAKD-UHFFFAOYSA-N -1 1 314.309 0.974 20 0 DCADMM CN(CCCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)C1CC1 ZINC001579115952 1165213649 /nfs/dbraw/zinc/21/36/49/1165213649.db2.gz OJDVCSRCPGXNAX-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)C1CC1 ZINC001579115952 1165213655 /nfs/dbraw/zinc/21/36/55/1165213655.db2.gz OJDVCSRCPGXNAX-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCNC(=O)[C@@H]1CC1(C)C)c1nccnc1-c1nnn[n-]1 ZINC001579166505 1165227778 /nfs/dbraw/zinc/22/77/78/1165227778.db2.gz GAUHVASYHDIGCJ-VIFPVBQESA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNC(=O)[C@@H]1CC1(C)C)c1nccnc1-c1nn[n-]n1 ZINC001579166505 1165227781 /nfs/dbraw/zinc/22/77/81/1165227781.db2.gz GAUHVASYHDIGCJ-VIFPVBQESA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNC(=O)C=C1CCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001579174529 1165229793 /nfs/dbraw/zinc/22/97/93/1165229793.db2.gz ZSZQIWQNWPBZBO-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CN(CCNC(=O)C=C1CCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001579174529 1165229798 /nfs/dbraw/zinc/22/97/98/1165229798.db2.gz ZSZQIWQNWPBZBO-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)[C@@H]1CC1(C)C ZINC001579217430 1165241413 /nfs/dbraw/zinc/24/14/13/1165241413.db2.gz ITENZKJKNCKGDJ-VIFPVBQESA-N -1 1 316.369 0.573 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)[C@@H]1CC1(C)C ZINC001579217430 1165241418 /nfs/dbraw/zinc/24/14/18/1165241418.db2.gz ITENZKJKNCKGDJ-VIFPVBQESA-N -1 1 316.369 0.573 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)c1ccc[nH]1 ZINC001579220310 1165243634 /nfs/dbraw/zinc/24/36/34/1165243634.db2.gz UTDMFTHHBZEHEM-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)c1ccc[nH]1 ZINC001579220310 1165243643 /nfs/dbraw/zinc/24/36/43/1165243643.db2.gz UTDMFTHHBZEHEM-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(Cc1cscn1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001579268004 1165256746 /nfs/dbraw/zinc/25/67/46/1165256746.db2.gz NHGAVSPEAJKFEE-UHFFFAOYSA-N -1 1 315.362 0.919 20 0 DCADMM CN(Cc1cscn1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001579268004 1165256751 /nfs/dbraw/zinc/25/67/51/1165256751.db2.gz NHGAVSPEAJKFEE-UHFFFAOYSA-N -1 1 315.362 0.919 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001579470062 1165320114 /nfs/dbraw/zinc/32/01/14/1165320114.db2.gz MDFHCCIPVYRPTK-CABZTGNLSA-N -1 1 318.337 0.024 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001579470062 1165320124 /nfs/dbraw/zinc/32/01/24/1165320124.db2.gz MDFHCCIPVYRPTK-CABZTGNLSA-N -1 1 318.337 0.024 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001579467719 1165320324 /nfs/dbraw/zinc/32/03/24/1165320324.db2.gz DNHSIHRZXZHKFS-JGVFFNPUSA-N -1 1 319.325 0.046 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001579467719 1165320327 /nfs/dbraw/zinc/32/03/27/1165320327.db2.gz DNHSIHRZXZHKFS-JGVFFNPUSA-N -1 1 319.325 0.046 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1N(c1ncncc1-c1nn[n-]n1)CC2 ZINC001579474688 1165324651 /nfs/dbraw/zinc/32/46/51/1165324651.db2.gz CZAWWOLHCVGKDF-YGRLFVJLSA-N -1 1 315.337 0.579 20 0 DCADMM COC(=O)c1cnc(CNc2nccnc2-c2nnn[n-]2)s1 ZINC001579488907 1165330735 /nfs/dbraw/zinc/33/07/35/1165330735.db2.gz IBVIXKCTKVFDCR-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1cnc(CNc2nccnc2-c2nn[n-]n2)s1 ZINC001579488907 1165330743 /nfs/dbraw/zinc/33/07/43/1165330743.db2.gz IBVIXKCTKVFDCR-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(OC)[C@@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001579595524 1165354571 /nfs/dbraw/zinc/35/45/71/1165354571.db2.gz DRKVXENMKGZQNO-SSDOTTSWSA-N -1 1 324.345 0.071 20 0 DCADMM COC(OC)[C@@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001579595524 1165354575 /nfs/dbraw/zinc/35/45/75/1165354575.db2.gz DRKVXENMKGZQNO-SSDOTTSWSA-N -1 1 324.345 0.071 20 0 DCADMM COCc1csc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001579839876 1165407425 /nfs/dbraw/zinc/40/74/25/1165407425.db2.gz ZMZWYFKKQGVHGY-UHFFFAOYSA-N -1 1 305.323 0.542 20 0 DCADMM CO[C@@H]1COC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579867602 1165416827 /nfs/dbraw/zinc/41/68/27/1165416827.db2.gz JLLZPETUGQCQJD-RKDXNWHRSA-N -1 1 324.366 0.141 20 0 DCADMM COc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)ncn1 ZINC001579908127 1165431118 /nfs/dbraw/zinc/43/11/18/1165431118.db2.gz YQCZNCLWKNZKKY-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1cnc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)nc1 ZINC001580106424 1165505307 /nfs/dbraw/zinc/50/53/07/1165505307.db2.gz GXEQBOYPIVGGRC-UHFFFAOYSA-N -1 1 318.322 0.683 20 0 DCADMM COc1cnc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)nc1 ZINC001580106424 1165505313 /nfs/dbraw/zinc/50/53/13/1165505313.db2.gz GXEQBOYPIVGGRC-UHFFFAOYSA-N -1 1 318.322 0.683 20 0 DCADMM COc1nnc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001580151132 1165519203 /nfs/dbraw/zinc/51/92/03/1165519203.db2.gz HGKZLUGLTRYDBR-UHFFFAOYSA-N -1 1 318.322 0.303 20 0 DCADMM COc1nnc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001580151132 1165519207 /nfs/dbraw/zinc/51/92/07/1165519207.db2.gz HGKZLUGLTRYDBR-UHFFFAOYSA-N -1 1 318.322 0.303 20 0 DCADMM CS(=O)(=O)c1cccc(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001580171448 1165526675 /nfs/dbraw/zinc/52/66/75/1165526675.db2.gz OYDKERRQKVXDGP-UHFFFAOYSA-N -1 1 319.350 0.605 20 0 DCADMM CS(=O)(=O)c1cccc(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001580171448 1165526683 /nfs/dbraw/zinc/52/66/83/1165526683.db2.gz OYDKERRQKVXDGP-UHFFFAOYSA-N -1 1 319.350 0.605 20 0 DCADMM CS[C@@H]1CCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001580205138 1165536169 /nfs/dbraw/zinc/53/61/69/1165536169.db2.gz OIWJBLQQLRUZPA-MRVPVSSYSA-N -1 1 320.378 0.853 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CC12CC2 ZINC001580295586 1165561268 /nfs/dbraw/zinc/56/12/68/1165561268.db2.gz SQMVRUFKSFUJNZ-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CC12CC2 ZINC001580295586 1165561274 /nfs/dbraw/zinc/56/12/74/1165561274.db2.gz SQMVRUFKSFUJNZ-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CC12CC2 ZINC001580295585 1165561725 /nfs/dbraw/zinc/56/17/25/1165561725.db2.gz SQMVRUFKSFUJNZ-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CC12CC2 ZINC001580295585 1165561732 /nfs/dbraw/zinc/56/17/32/1165561732.db2.gz SQMVRUFKSFUJNZ-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1=CCCC1 ZINC001580427295 1165601091 /nfs/dbraw/zinc/60/10/91/1165601091.db2.gz IGVSJSIXGWTBDY-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1=CCCC1 ZINC001580427295 1165601095 /nfs/dbraw/zinc/60/10/95/1165601095.db2.gz IGVSJSIXGWTBDY-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H]1CN(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC001580444746 1165603446 /nfs/dbraw/zinc/60/34/46/1165603446.db2.gz BMANOPHHDCGYIE-AOOOYVTPSA-N -1 1 317.353 0.581 20 0 DCADMM C[C@@H]1CN(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001580444746 1165603451 /nfs/dbraw/zinc/60/34/51/1165603451.db2.gz BMANOPHHDCGYIE-AOOOYVTPSA-N -1 1 317.353 0.581 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001580454714 1165606593 /nfs/dbraw/zinc/60/65/93/1165606593.db2.gz PRRYAUFLVCCOHG-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001580454714 1165606605 /nfs/dbraw/zinc/60/66/05/1165606605.db2.gz PRRYAUFLVCCOHG-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC001580598547 1165649479 /nfs/dbraw/zinc/64/94/79/1165649479.db2.gz YYFLRJNYRFVFQI-WCBMZHEXSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC001580600099 1165651166 /nfs/dbraw/zinc/65/11/66/1165651166.db2.gz LWHSDTIQLJQBQL-IUCAKERBSA-N -1 1 318.337 0.525 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@H](C)[C@@H]1C ZINC001580600097 1165651559 /nfs/dbraw/zinc/65/15/59/1165651559.db2.gz LWHSDTIQLJQBQL-DTWKUNHWSA-N -1 1 318.337 0.525 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H]1CCCO1 ZINC001580602943 1165653081 /nfs/dbraw/zinc/65/30/81/1165653081.db2.gz JDBCYDXNEYFKIF-MRVPVSSYSA-N -1 1 304.310 0.185 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1COC(C)(C)C1 ZINC001580604945 1165654203 /nfs/dbraw/zinc/65/42/03/1165654203.db2.gz VGIDLUJGEXZVPN-QMMMGPOBSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1ccon1 ZINC001580606598 1165654310 /nfs/dbraw/zinc/65/43/10/1165654310.db2.gz YOTURJCVNSWFHD-UHFFFAOYSA-N -1 1 301.266 0.194 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)NC(=O)CCCF)n1 ZINC001580748867 1165709389 /nfs/dbraw/zinc/70/93/89/1165709389.db2.gz UGEREFYRKHIODH-SECBINFHSA-N -1 1 322.348 0.631 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)NC(=O)CCCF)n1 ZINC001580748867 1165709391 /nfs/dbraw/zinc/70/93/91/1165709391.db2.gz UGEREFYRKHIODH-SECBINFHSA-N -1 1 322.348 0.631 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)NC(=O)C(C)(C)C)n1 ZINC001580749712 1165709432 /nfs/dbraw/zinc/70/94/32/1165709432.db2.gz XAVNKWDBFBKRSR-VIFPVBQESA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)NC(=O)C(C)(C)C)n1 ZINC001580749712 1165709435 /nfs/dbraw/zinc/70/94/35/1165709435.db2.gz XAVNKWDBFBKRSR-VIFPVBQESA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)nc(C)n1 ZINC001580979386 1165768362 /nfs/dbraw/zinc/76/83/62/1165768362.db2.gz MAPCOGDAJJHRHT-ZETCQYMHSA-N -1 1 314.313 0.065 20 0 DCADMM Cc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c(=O)[nH]1 ZINC001581171200 1165792465 /nfs/dbraw/zinc/79/24/65/1165792465.db2.gz YEAZSKHXWWOXRZ-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c(=O)[nH]1 ZINC001581171200 1165792471 /nfs/dbraw/zinc/79/24/71/1165792471.db2.gz YEAZSKHXWWOXRZ-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1cnccc1Sc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001581337141 1165815498 /nfs/dbraw/zinc/81/54/98/1165815498.db2.gz IWANAWPCWVEAFD-UHFFFAOYSA-N -1 1 317.334 0.108 20 0 DCADMM Cc1[nH]c(=O)ccc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581530518 1165839160 /nfs/dbraw/zinc/83/91/60/1165839160.db2.gz DIDKHRQGGYQUME-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1[nH]c(=O)ccc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581530518 1165839167 /nfs/dbraw/zinc/83/91/67/1165839167.db2.gz DIDKHRQGGYQUME-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1nsc(N2CC(O)(c3ccnn3C)C2)c1-c1nn[n-]n1 ZINC001581667827 1165858200 /nfs/dbraw/zinc/85/82/00/1165858200.db2.gz RLOZJNJCUOKFHC-UHFFFAOYSA-N -1 1 318.366 0.073 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccn(C)c(=O)c1 ZINC001581727387 1165860774 /nfs/dbraw/zinc/86/07/74/1165860774.db2.gz UTLMNKWETROMCM-UHFFFAOYSA-N -1 1 300.278 0.719 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccn(C)c(=O)c1 ZINC001581727387 1165860778 /nfs/dbraw/zinc/86/07/78/1165860778.db2.gz UTLMNKWETROMCM-UHFFFAOYSA-N -1 1 300.278 0.719 20 0 DCADMM Cn1ccc(CCNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001581790250 1165876846 /nfs/dbraw/zinc/87/68/46/1165876846.db2.gz CSFMFDZWSHQEJV-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1ccc(CCNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001581790250 1165876850 /nfs/dbraw/zinc/87/68/50/1165876850.db2.gz CSFMFDZWSHQEJV-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1cccc1CNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001581796858 1165878337 /nfs/dbraw/zinc/87/83/37/1165878337.db2.gz XSXONBNYYKZSAJ-UHFFFAOYSA-N -1 1 324.391 0.745 20 0 DCADMM NC(=O)c1cccc2c1CCN(c1ncncc1-c1nn[n-]n1)C2 ZINC001581905353 1165909650 /nfs/dbraw/zinc/90/96/50/1165909650.db2.gz DNNHPCNUJHDHHJ-UHFFFAOYSA-N -1 1 322.332 0.318 20 0 DCADMM O=C(C1CC1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001581922176 1165914330 /nfs/dbraw/zinc/91/43/30/1165914330.db2.gz DHOWZCQYNBHCBI-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001581922176 1165914334 /nfs/dbraw/zinc/91/43/34/1165914334.db2.gz DHOWZCQYNBHCBI-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CC1CC1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001581967807 1165925441 /nfs/dbraw/zinc/92/54/41/1165925441.db2.gz BLHBAJCZTRGRSH-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(CC1CC1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001581967807 1165925447 /nfs/dbraw/zinc/92/54/47/1165925447.db2.gz BLHBAJCZTRGRSH-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(CC1CC1)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001581972078 1165926872 /nfs/dbraw/zinc/92/68/72/1165926872.db2.gz FRFRSEPTFYVEIE-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(CC1CC1)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001581972078 1165926879 /nfs/dbraw/zinc/92/68/79/1165926879.db2.gz FRFRSEPTFYVEIE-MGCOHNPYSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(CCCF)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001582046722 1165944491 /nfs/dbraw/zinc/94/44/91/1165944491.db2.gz VZGZNUWVYWOHEN-KYZUINATSA-N -1 1 320.332 0.466 20 0 DCADMM O=C(CCCF)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001582046722 1165944497 /nfs/dbraw/zinc/94/44/97/1165944497.db2.gz VZGZNUWVYWOHEN-KYZUINATSA-N -1 1 320.332 0.466 20 0 DCADMM O=C(COC[C@@H]1CCCO1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582125855 1165962827 /nfs/dbraw/zinc/96/28/27/1165962827.db2.gz AQFILHSOTRRLLI-NSHDSACASA-N -1 1 318.337 0.074 20 0 DCADMM O=C(COC[C@@H]1CCCO1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582125855 1165962833 /nfs/dbraw/zinc/96/28/33/1165962833.db2.gz AQFILHSOTRRLLI-NSHDSACASA-N -1 1 318.337 0.074 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCc1cccc(O)c1 ZINC001582137572 1165966289 /nfs/dbraw/zinc/96/62/89/1165966289.db2.gz BLOIYMOPMDCNBG-UHFFFAOYSA-N -1 1 324.344 0.869 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCc1cccc(O)c1 ZINC001582137572 1165966297 /nfs/dbraw/zinc/96/62/97/1165966297.db2.gz BLOIYMOPMDCNBG-UHFFFAOYSA-N -1 1 324.344 0.869 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCOc1ccccc1 ZINC001582138177 1165967252 /nfs/dbraw/zinc/96/72/52/1165967252.db2.gz SDAUYGWVBJBRSM-UHFFFAOYSA-N -1 1 324.344 0.999 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCOc1ccccc1 ZINC001582138177 1165967257 /nfs/dbraw/zinc/96/72/57/1165967257.db2.gz SDAUYGWVBJBRSM-UHFFFAOYSA-N -1 1 324.344 0.999 20 0 DCADMM O=C(Cc1ccc(O)cc1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001582142188 1165967586 /nfs/dbraw/zinc/96/75/86/1165967586.db2.gz HMDDSYSRJSJLBU-UHFFFAOYSA-N -1 1 316.346 0.888 20 0 DCADMM O=C(Cc1ccc(O)cc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001582142188 1165967593 /nfs/dbraw/zinc/96/75/93/1165967593.db2.gz HMDDSYSRJSJLBU-UHFFFAOYSA-N -1 1 316.346 0.888 20 0 DCADMM O=C(Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2)c1ccoc1 ZINC001582185793 1165978569 /nfs/dbraw/zinc/97/85/69/1165978569.db2.gz ULQSAUACNDLDPP-UHFFFAOYSA-N -1 1 311.301 0.993 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccc(F)c1F ZINC001582199228 1165982056 /nfs/dbraw/zinc/98/20/56/1165982056.db2.gz GCGSBYCGVREMDP-UHFFFAOYSA-N -1 1 320.263 0.053 20 0 DCADMM O=C(NC[C@H](O)c1cncs1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582381096 1166009015 /nfs/dbraw/zinc/00/90/15/1166009015.db2.gz HEVHOTXLEMNAAM-VIFPVBQESA-N -1 1 317.334 0.182 20 0 DCADMM O=C(NC[C@H](O)c1cncs1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582381096 1166009017 /nfs/dbraw/zinc/00/90/17/1166009017.db2.gz HEVHOTXLEMNAAM-VIFPVBQESA-N -1 1 317.334 0.182 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1n[nH]c2c1CCCC2 ZINC001582554616 1166040977 /nfs/dbraw/zinc/04/09/77/1166040977.db2.gz OQFUYXKUTXENFI-UHFFFAOYSA-N -1 1 324.348 0.794 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H](O)C1CCCCC1 ZINC001582555318 1166041865 /nfs/dbraw/zinc/04/18/65/1166041865.db2.gz YCGVVEVKOCJNHF-CYBMUJFWSA-N -1 1 316.365 0.819 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H](O)C1CCCCC1 ZINC001582555318 1166041870 /nfs/dbraw/zinc/04/18/70/1166041870.db2.gz YCGVVEVKOCJNHF-CYBMUJFWSA-N -1 1 316.365 0.819 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001582701675 1166068216 /nfs/dbraw/zinc/06/82/16/1166068216.db2.gz UYBFFJVBPBDCFL-ZETCQYMHSA-N -1 1 315.293 0.518 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001582701675 1166068218 /nfs/dbraw/zinc/06/82/18/1166068218.db2.gz UYBFFJVBPBDCFL-ZETCQYMHSA-N -1 1 315.293 0.518 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCc2c(=O)[nH]cnc21 ZINC001582708550 1166068941 /nfs/dbraw/zinc/06/89/41/1166068941.db2.gz OXNNMPZACKQFIT-UHFFFAOYSA-N -1 1 324.304 0.350 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@@]12CCOC2=O ZINC001582745299 1166073410 /nfs/dbraw/zinc/07/34/10/1166073410.db2.gz YHHGXKSIXOVIFE-ZDUSSCGKSA-N -1 1 319.346 0.850 20 0 DCADMM O=S(=O)(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cccnc1-c1nn[n-]n1 ZINC001582794383 1166084972 /nfs/dbraw/zinc/08/49/72/1166084972.db2.gz LYSAMOPDMLPFHK-UTLUCORTSA-N -1 1 320.378 0.729 20 0 DCADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccc(F)cc1 ZINC001582808919 1166089300 /nfs/dbraw/zinc/08/93/00/1166089300.db2.gz DOHGSKZMWDTBLL-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccc(F)cc1 ZINC001582808919 1166089308 /nfs/dbraw/zinc/08/93/08/1166089308.db2.gz DOHGSKZMWDTBLL-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@@H](CNc1nccnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001582810420 1166091210 /nfs/dbraw/zinc/09/12/10/1166091210.db2.gz IETHEXSPUXUPSC-SNVBAGLBSA-N -1 1 315.312 0.984 20 0 DCADMM OC[C@@H](CNc1nccnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001582810420 1166091216 /nfs/dbraw/zinc/09/12/16/1166091216.db2.gz IETHEXSPUXUPSC-SNVBAGLBSA-N -1 1 315.312 0.984 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cccn4nccc34)nc2n1 ZINC001584142899 1166311385 /nfs/dbraw/zinc/31/13/85/1166311385.db2.gz XYAGUIMDVJOWJL-UHFFFAOYSA-N -1 1 309.289 0.626 20 0 DCADMM O=C(c1cc2ncccc2o1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001585183956 1166410146 /nfs/dbraw/zinc/41/01/46/1166410146.db2.gz YVNRGXMCIHJCGF-LLVKDONJSA-N -1 1 300.278 0.555 20 0 DCADMM O=C([N-]Cc1nc2ncccn2n1)C(F)(F)c1nccs1 ZINC001585258778 1166414044 /nfs/dbraw/zinc/41/40/44/1166414044.db2.gz QRXGTAKBXSAUCJ-UHFFFAOYSA-N -1 1 310.289 0.989 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)c1 ZINC001586538440 1166495533 /nfs/dbraw/zinc/49/55/33/1166495533.db2.gz HYKMMNMHIRSGTO-DOMZBBRYSA-N -1 1 319.405 0.877 20 0 DCADMM CC(=O)N1CCC(Nc2ccc(C)nc2-c2nnn[n-]2)CC1 ZINC001588812417 1166593747 /nfs/dbraw/zinc/59/37/47/1166593747.db2.gz LGYGMWRTGRAQIE-UHFFFAOYSA-N -1 1 301.354 0.993 20 0 DCADMM CC(=O)N1CCC(Nc2ccc(C)nc2-c2nn[n-]n2)CC1 ZINC001588812417 1166593749 /nfs/dbraw/zinc/59/37/49/1166593749.db2.gz LGYGMWRTGRAQIE-UHFFFAOYSA-N -1 1 301.354 0.993 20 0 DCADMM CC(=O)N1CCC(COC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001588811591 1166595047 /nfs/dbraw/zinc/59/50/47/1166595047.db2.gz FBSDCVNOXIVTBO-UHFFFAOYSA-N -1 1 319.321 0.875 20 0 DCADMM CC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588818124 1166598401 /nfs/dbraw/zinc/59/84/01/1166598401.db2.gz AQSPZQFJZUJZSR-LLVKDONJSA-N -1 1 316.369 0.860 20 0 DCADMM CC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588818124 1166598409 /nfs/dbraw/zinc/59/84/09/1166598409.db2.gz AQSPZQFJZUJZSR-LLVKDONJSA-N -1 1 316.369 0.860 20 0 DCADMM CC(=O)N[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001588828779 1166599145 /nfs/dbraw/zinc/59/91/45/1166599145.db2.gz RNKDLXIQPUKRIL-NSHDSACASA-N -1 1 322.394 0.705 20 0 DCADMM CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001588842113 1166605051 /nfs/dbraw/zinc/60/50/51/1166605051.db2.gz VWNFUHSDABERGZ-SNVBAGLBSA-N -1 1 302.342 0.008 20 0 DCADMM CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588842113 1166605055 /nfs/dbraw/zinc/60/50/55/1166605055.db2.gz VWNFUHSDABERGZ-SNVBAGLBSA-N -1 1 302.342 0.008 20 0 DCADMM CC(=O)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588840176 1166606182 /nfs/dbraw/zinc/60/61/82/1166606182.db2.gz OXWQHHSGVSKTHB-QWRGUYRKSA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588840176 1166606186 /nfs/dbraw/zinc/60/61/86/1166606186.db2.gz OXWQHHSGVSKTHB-QWRGUYRKSA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588840175 1166606837 /nfs/dbraw/zinc/60/68/37/1166606837.db2.gz OXWQHHSGVSKTHB-MNOVXSKESA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588840175 1166606844 /nfs/dbraw/zinc/60/68/44/1166606844.db2.gz OXWQHHSGVSKTHB-MNOVXSKESA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)NCCC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001588858016 1166611757 /nfs/dbraw/zinc/61/17/57/1166611757.db2.gz QYMSDEWBCZJRMO-LLVKDONJSA-N -1 1 316.369 0.542 20 0 DCADMM CC(=O)NCCC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001588858016 1166611762 /nfs/dbraw/zinc/61/17/62/1166611762.db2.gz QYMSDEWBCZJRMO-LLVKDONJSA-N -1 1 316.369 0.542 20 0 DCADMM CC(=O)Nc1ccc(C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001588874773 1166612525 /nfs/dbraw/zinc/61/25/25/1166612525.db2.gz WCMOVEGLDDROKB-UHFFFAOYSA-N -1 1 312.293 0.300 20 0 DCADMM CC(=O)Nc1nc(COc2cnc(-c3nn[n-]n3)nc2)cs1 ZINC001588886302 1166612582 /nfs/dbraw/zinc/61/25/82/1166612582.db2.gz BJRAEBLTMXAFPD-UHFFFAOYSA-N -1 1 318.322 0.651 20 0 DCADMM CC(=O)N[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588869402 1166612615 /nfs/dbraw/zinc/61/26/15/1166612615.db2.gz WEMKJCDVLDZJFY-SCSAIBSYSA-N -1 1 301.763 0.913 20 0 DCADMM CC(=O)N[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588869402 1166612621 /nfs/dbraw/zinc/61/26/21/1166612621.db2.gz WEMKJCDVLDZJFY-SCSAIBSYSA-N -1 1 301.763 0.913 20 0 DCADMM CC(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588872446 1166613073 /nfs/dbraw/zinc/61/30/73/1166613073.db2.gz RGQIZSLRWDHFDE-MGCOHNPYSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588872446 1166613078 /nfs/dbraw/zinc/61/30/78/1166613078.db2.gz RGQIZSLRWDHFDE-MGCOHNPYSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001588869444 1166613511 /nfs/dbraw/zinc/61/35/11/1166613511.db2.gz ZMLWURLBGDDCNQ-QMMMGPOBSA-N -1 1 323.382 0.813 20 0 DCADMM CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001588869444 1166613517 /nfs/dbraw/zinc/61/35/17/1166613517.db2.gz ZMLWURLBGDDCNQ-QMMMGPOBSA-N -1 1 323.382 0.813 20 0 DCADMM CC(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588865427 1166614707 /nfs/dbraw/zinc/61/47/07/1166614707.db2.gz UOFUGQKISISDQU-UHFFFAOYSA-N -1 1 301.763 0.549 20 0 DCADMM CC(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588865427 1166614713 /nfs/dbraw/zinc/61/47/13/1166614713.db2.gz UOFUGQKISISDQU-UHFFFAOYSA-N -1 1 301.763 0.549 20 0 DCADMM CC(=O)c1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1C ZINC001588915145 1166616568 /nfs/dbraw/zinc/61/65/68/1166616568.db2.gz PFJYTBKWDYBHAH-UHFFFAOYSA-N -1 1 311.305 0.845 20 0 DCADMM CC(=O)c1ccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001588915295 1166617060 /nfs/dbraw/zinc/61/70/60/1166617060.db2.gz ZCKOVEYZZGFWJE-UHFFFAOYSA-N -1 1 311.305 0.731 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H]2CCC[C@@H]2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588964055 1166620674 /nfs/dbraw/zinc/62/06/74/1166620674.db2.gz WOUISGDKTVKESB-LPEHRKFASA-N -1 1 302.342 0.278 20 0 DCADMM C[C@H](C(=O)N[C@@H]1CCCC2(CC2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588973965 1166623475 /nfs/dbraw/zinc/62/34/75/1166623475.db2.gz VXCHIARRLNQZTI-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@H](C(=O)NCCNc1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001588992536 1166626882 /nfs/dbraw/zinc/62/68/82/1166626882.db2.gz UYMYJLBZCWPSPN-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](C(=O)NCCNc1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001588992536 1166626889 /nfs/dbraw/zinc/62/68/89/1166626889.db2.gz UYMYJLBZCWPSPN-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](C(=O)OC/C(Cl)=C/Cl)n1cnc(-c2nn[n-]n2)n1 ZINC001589025786 1166628290 /nfs/dbraw/zinc/62/82/90/1166628290.db2.gz DPKAELJTZKXQCI-LUYJLRHBSA-N -1 1 318.124 0.881 20 0 DCADMM CC(C)(C)C[C@@H](CO)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589119306 1166636095 /nfs/dbraw/zinc/63/60/95/1166636095.db2.gz VFVQXXOGAGSRBM-VIFPVBQESA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(C)C[C@@H](CO)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589119306 1166636101 /nfs/dbraw/zinc/63/61/01/1166636101.db2.gz VFVQXXOGAGSRBM-VIFPVBQESA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(C)OCCCCn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001589194113 1166639309 /nfs/dbraw/zinc/63/93/09/1166639309.db2.gz VFRAWTMWOYXAAS-UHFFFAOYSA-N -1 1 308.342 0.724 20 0 DCADMM CC(C)=CC(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001589370370 1166651466 /nfs/dbraw/zinc/65/14/66/1166651466.db2.gz XHEWYRGTEUFNGF-UHFFFAOYSA-N -1 1 302.342 0.175 20 0 DCADMM CC(C)=CC(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001589370370 1166651472 /nfs/dbraw/zinc/65/14/72/1166651472.db2.gz XHEWYRGTEUFNGF-UHFFFAOYSA-N -1 1 302.342 0.175 20 0 DCADMM CC(C)[C@H](O)CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589475450 1166660945 /nfs/dbraw/zinc/66/09/45/1166660945.db2.gz HOMXVGCREPGUQP-SECBINFHSA-N -1 1 308.346 0.129 20 0 DCADMM CC(C)[C@H](O)CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589475450 1166660946 /nfs/dbraw/zinc/66/09/46/1166660946.db2.gz HOMXVGCREPGUQP-SECBINFHSA-N -1 1 308.346 0.129 20 0 DCADMM CC(C)[C@H](O)C1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001589476943 1166661731 /nfs/dbraw/zinc/66/17/31/1166661731.db2.gz XAPWOKQNBYVZAR-NSHDSACASA-N -1 1 305.338 0.987 20 0 DCADMM CC(C)[C@H](O)C1(CNC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001589476943 1166661733 /nfs/dbraw/zinc/66/17/33/1166661733.db2.gz XAPWOKQNBYVZAR-NSHDSACASA-N -1 1 305.338 0.987 20 0 DCADMM CC(C)CC(=O)NCCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001589533812 1166665427 /nfs/dbraw/zinc/66/54/27/1166665427.db2.gz FNZPSIRPBGQOKX-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CC(C)CC(=O)NCCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001589533812 1166665430 /nfs/dbraw/zinc/66/54/30/1166665430.db2.gz FNZPSIRPBGQOKX-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CC(C)C[C@H](C)N(C)C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001589550802 1166667452 /nfs/dbraw/zinc/66/74/52/1166667452.db2.gz QKJAHFCIZRIGGK-NSHDSACASA-N -1 1 318.381 0.921 20 0 DCADMM CC(C)C[C@@H](C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001589550617 1166667654 /nfs/dbraw/zinc/66/76/54/1166667654.db2.gz NHIUUECXWPORFK-SNVBAGLBSA-N -1 1 319.369 0.316 20 0 DCADMM CC(C)C[C@H](O)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589562454 1166667892 /nfs/dbraw/zinc/66/78/92/1166667892.db2.gz IDBVLSBBHADVOF-VIFPVBQESA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)C[C@H](O)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589562454 1166667895 /nfs/dbraw/zinc/66/78/95/1166667895.db2.gz IDBVLSBBHADVOF-VIFPVBQESA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)C[C@H](CO)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589659609 1166671042 /nfs/dbraw/zinc/67/10/42/1166671042.db2.gz BILWRDBOZVTHKK-SNVBAGLBSA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)C[C@H](CO)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589659609 1166671047 /nfs/dbraw/zinc/67/10/47/1166671047.db2.gz BILWRDBOZVTHKK-SNVBAGLBSA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)OC1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589739907 1166680875 /nfs/dbraw/zinc/68/08/75/1166680875.db2.gz TZHASFAMEMNAKG-UHFFFAOYSA-N -1 1 302.338 0.440 20 0 DCADMM CC(C)OC1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589739907 1166680879 /nfs/dbraw/zinc/68/08/79/1166680879.db2.gz TZHASFAMEMNAKG-UHFFFAOYSA-N -1 1 302.338 0.440 20 0 DCADMM CC(C)[C@H](NC=O)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001589765693 1166685422 /nfs/dbraw/zinc/68/54/22/1166685422.db2.gz LUWKICJXLLOENB-VIFPVBQESA-N -1 1 318.341 0.176 20 0 DCADMM C[C@@H](CC(=O)NCc1nc(-c2nnn[n-]2)cs1)n1cccn1 ZINC001589793644 1166689115 /nfs/dbraw/zinc/68/91/15/1166689115.db2.gz ZWSUMSBAXJFFMF-QMMMGPOBSA-N -1 1 318.366 0.787 20 0 DCADMM C[C@@H](CC(=O)NCc1nc(-c2nn[n-]n2)cs1)n1cccn1 ZINC001589793644 1166689121 /nfs/dbraw/zinc/68/91/21/1166689121.db2.gz ZWSUMSBAXJFFMF-QMMMGPOBSA-N -1 1 318.366 0.787 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589850332 1166700375 /nfs/dbraw/zinc/70/03/75/1166700375.db2.gz INJDWUAMLQFYIP-QMMMGPOBSA-N -1 1 304.358 0.041 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)CC1(C)OCCO1 ZINC001589878549 1166706287 /nfs/dbraw/zinc/70/62/87/1166706287.db2.gz AWTIEEWSHZRSKR-SECBINFHSA-N -1 1 305.342 0.858 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)CC1(C)OCCO1 ZINC001589878549 1166706293 /nfs/dbraw/zinc/70/62/93/1166706293.db2.gz AWTIEEWSHZRSKR-SECBINFHSA-N -1 1 305.342 0.858 20 0 DCADMM C[C@@H](COCC1CC1)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589884427 1166709598 /nfs/dbraw/zinc/70/95/98/1166709598.db2.gz DMLAGGPARHPGRZ-JTQLQIEISA-N -1 1 316.365 0.736 20 0 DCADMM C[C@@H](COCC1CC1)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589884427 1166709605 /nfs/dbraw/zinc/70/96/05/1166709605.db2.gz DMLAGGPARHPGRZ-JTQLQIEISA-N -1 1 316.365 0.736 20 0 DCADMM C[C@H](Cn1cnc2ncc(-c3nn[n-]n3)c(=O)n21)C(C)(C)C ZINC001589903812 1166713090 /nfs/dbraw/zinc/71/30/90/1166713090.db2.gz JMKSBZIBMAISSB-MRVPVSSYSA-N -1 1 302.342 0.753 20 0 DCADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)C(=O)NCc1ccco1 ZINC001589982468 1166734629 /nfs/dbraw/zinc/73/46/29/1166734629.db2.gz XTNCQOYMMVINEJ-MRVPVSSYSA-N -1 1 314.309 0.367 20 0 DCADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)C(=O)NCc1ccco1 ZINC001589982468 1166734636 /nfs/dbraw/zinc/73/46/36/1166734636.db2.gz XTNCQOYMMVINEJ-MRVPVSSYSA-N -1 1 314.309 0.367 20 0 DCADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1nncn1C ZINC001589980087 1166735001 /nfs/dbraw/zinc/73/50/01/1166735001.db2.gz HMTHAHRKNQGRLX-SSDOTTSWSA-N -1 1 312.341 0.836 20 0 DCADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1nncn1C ZINC001589980087 1166735005 /nfs/dbraw/zinc/73/50/05/1166735005.db2.gz HMTHAHRKNQGRLX-SSDOTTSWSA-N -1 1 312.341 0.836 20 0 DCADMM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1cccnc1 ZINC001589978050 1166735044 /nfs/dbraw/zinc/73/50/44/1166735044.db2.gz GMLBROCZWPUYJF-SSDOTTSWSA-N -1 1 314.309 0.234 20 0 DCADMM C[C@](O)(CNc1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001589990002 1166737021 /nfs/dbraw/zinc/73/70/21/1166737021.db2.gz HXBUVTYOGYSFKF-LBPRGKRZSA-N -1 1 303.351 0.460 20 0 DCADMM C[C@](O)(CNC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccco1 ZINC001589988641 1166738561 /nfs/dbraw/zinc/73/85/61/1166738561.db2.gz NVLSNDLHJKLMOZ-AWEZNQCLSA-N -1 1 314.305 0.492 20 0 DCADMM C[C@](O)(CNC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccco1 ZINC001589988641 1166738566 /nfs/dbraw/zinc/73/85/66/1166738566.db2.gz NVLSNDLHJKLMOZ-AWEZNQCLSA-N -1 1 314.305 0.492 20 0 DCADMM C[C@H](O)[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001589994741 1166741362 /nfs/dbraw/zinc/74/13/62/1166741362.db2.gz IKZVEGRXXGETOB-UWVGGRQHSA-N -1 1 317.353 0.886 20 0 DCADMM C[C@H](O)[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001589994741 1166741366 /nfs/dbraw/zinc/74/13/66/1166741366.db2.gz IKZVEGRXXGETOB-UWVGGRQHSA-N -1 1 317.353 0.886 20 0 DCADMM C[C@H](O)[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001589997591 1166743821 /nfs/dbraw/zinc/74/38/21/1166743821.db2.gz SCNLJOOWRAEFAS-UFBFGSQYSA-N -1 1 315.312 0.752 20 0 DCADMM C[C@@H](c1nc(-c2ccncc2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590053159 1166759396 /nfs/dbraw/zinc/75/93/96/1166759396.db2.gz FBZXAHHXLUINOL-ZETCQYMHSA-N -1 1 310.281 0.513 20 0 DCADMM CC1(C)[C@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)[C@H]2CCO[C@@H]21 ZINC001590077266 1166769259 /nfs/dbraw/zinc/76/92/59/1166769259.db2.gz ROADHAASXZNHNG-JLLWLGSASA-N -1 1 314.349 0.805 20 0 DCADMM CC1(C)[C@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)[C@H]2CCO[C@@H]21 ZINC001590077266 1166769263 /nfs/dbraw/zinc/76/92/63/1166769263.db2.gz ROADHAASXZNHNG-JLLWLGSASA-N -1 1 314.349 0.805 20 0 DCADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H](CO)O1 ZINC001590101940 1166774846 /nfs/dbraw/zinc/77/48/46/1166774846.db2.gz INBGXRNIKNVFJO-QMMMGPOBSA-N -1 1 307.310 0.072 20 0 DCADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@@H](CO)O1 ZINC001590101940 1166774853 /nfs/dbraw/zinc/77/48/53/1166774853.db2.gz INBGXRNIKNVFJO-QMMMGPOBSA-N -1 1 307.310 0.072 20 0 DCADMM CC1(C)CO[C@H](CCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC001590110818 1166777622 /nfs/dbraw/zinc/77/76/22/1166777622.db2.gz IWFOJNSWAWOPEK-MRVPVSSYSA-N -1 1 305.342 0.881 20 0 DCADMM CC1(C)OC[C@@H](COC(=O)c2ccnc(-c3nnn[n-]3)c2)O1 ZINC001590120010 1166781014 /nfs/dbraw/zinc/78/10/14/1166781014.db2.gz WPIIZNXIESLUMX-SECBINFHSA-N -1 1 305.294 0.570 20 0 DCADMM CC1(C)OC[C@@H](COC(=O)c2ccnc(-c3nn[n-]n3)c2)O1 ZINC001590120010 1166781021 /nfs/dbraw/zinc/78/10/21/1166781021.db2.gz WPIIZNXIESLUMX-SECBINFHSA-N -1 1 305.294 0.570 20 0 DCADMM CC1(C)OCC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590118027 1166783050 /nfs/dbraw/zinc/78/30/50/1166783050.db2.gz JYHJNEUUUTYPBM-NSHDSACASA-N -1 1 302.338 0.488 20 0 DCADMM CC1(C)OCC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590118027 1166783056 /nfs/dbraw/zinc/78/30/56/1166783056.db2.gz JYHJNEUUUTYPBM-NSHDSACASA-N -1 1 302.338 0.488 20 0 DCADMM C[C@H]1C(=O)N(C)CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590163233 1166792290 /nfs/dbraw/zinc/79/22/90/1166792290.db2.gz HLFDFYHYWUYYTP-YFKPBYRVSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@H]1C(=O)N(C)CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590163233 1166792297 /nfs/dbraw/zinc/79/22/97/1166792297.db2.gz HLFDFYHYWUYYTP-YFKPBYRVSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590168276 1166797700 /nfs/dbraw/zinc/79/77/00/1166797700.db2.gz KHVQHSPYNQUHEL-BDAKNGLRSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590168276 1166797704 /nfs/dbraw/zinc/79/77/04/1166797704.db2.gz KHVQHSPYNQUHEL-BDAKNGLRSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC001590205492 1166812071 /nfs/dbraw/zinc/81/20/71/1166812071.db2.gz ATIQMEJSSPEBBD-RNLVFQAGSA-N -1 1 321.341 0.034 20 0 DCADMM C[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CS1(=O)=O ZINC001590236572 1166823536 /nfs/dbraw/zinc/82/35/36/1166823536.db2.gz KVUPEFSITIQLAR-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CS1(=O)=O ZINC001590236572 1166823539 /nfs/dbraw/zinc/82/35/39/1166823539.db2.gz KVUPEFSITIQLAR-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H]1CCO ZINC001590259911 1166828071 /nfs/dbraw/zinc/82/80/71/1166828071.db2.gz CVHOATHKLVEBPM-MFKMUULPSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H]1CCO ZINC001590259911 1166828075 /nfs/dbraw/zinc/82/80/75/1166828075.db2.gz CVHOATHKLVEBPM-MFKMUULPSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H]1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC[S@@]1=O ZINC001590272729 1166836414 /nfs/dbraw/zinc/83/64/14/1166836414.db2.gz RCUWWOQNTNUEDR-SQFXPLBJSA-N -1 1 312.424 0.666 20 0 DCADMM C[C@@H]1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC[S@@]1=O ZINC001590272729 1166836417 /nfs/dbraw/zinc/83/64/17/1166836417.db2.gz RCUWWOQNTNUEDR-SQFXPLBJSA-N -1 1 312.424 0.666 20 0 DCADMM C[C@@H]1CN(C(=O)Cn2ccnc2-c2nnn[n-]2)CC(C)(C)O1 ZINC001590292494 1166842393 /nfs/dbraw/zinc/84/23/93/1166842393.db2.gz YESJPCRLCOAMFU-SECBINFHSA-N -1 1 305.342 0.089 20 0 DCADMM C[C@@H]1CN(C(=O)Cn2ccnc2-c2nn[n-]n2)CC(C)(C)O1 ZINC001590292494 1166842399 /nfs/dbraw/zinc/84/23/99/1166842399.db2.gz YESJPCRLCOAMFU-SECBINFHSA-N -1 1 305.342 0.089 20 0 DCADMM C[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@H](C)[C@@H](C)O1 ZINC001590311569 1166856409 /nfs/dbraw/zinc/85/64/09/1166856409.db2.gz XVQVOSUEBZLDIL-GMTAPVOTSA-N -1 1 304.354 0.484 20 0 DCADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@]2(CCOC2)O1 ZINC001590312742 1166857156 /nfs/dbraw/zinc/85/71/56/1166857156.db2.gz QMWMOCFKNPMTSP-TVQRCGJNSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@]2(CCOC2)O1 ZINC001590312742 1166857161 /nfs/dbraw/zinc/85/71/61/1166857161.db2.gz QMWMOCFKNPMTSP-TVQRCGJNSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@]2(CCOC2)O1 ZINC001590317197 1166862359 /nfs/dbraw/zinc/86/23/59/1166862359.db2.gz ZFBREURSTRAOCT-NOZJJQNGSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@H](C(F)(F)F)O1 ZINC001590321290 1166863273 /nfs/dbraw/zinc/86/32/73/1166863273.db2.gz VBUMNNVFAXEWIB-HTRCEHHLSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@](C)(C(F)F)O1 ZINC001590317382 1166863403 /nfs/dbraw/zinc/86/34/03/1166863403.db2.gz YNRHJJZHLYPYBV-KRTXAFLBSA-N -1 1 311.296 0.906 20 0 DCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@](C)(C(F)F)O1 ZINC001590317382 1166863408 /nfs/dbraw/zinc/86/34/08/1166863408.db2.gz YNRHJJZHLYPYBV-KRTXAFLBSA-N -1 1 311.296 0.906 20 0 DCADMM C[C@H](C(=O)N1CCS[C@@H](C)[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590339341 1166875827 /nfs/dbraw/zinc/87/58/27/1166875827.db2.gz XKZXBHNGBCLZFI-HLTSFMKQSA-N -1 1 322.398 0.372 20 0 DCADMM C/C=C(/C)C(=O)NCCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590349781 1166879216 /nfs/dbraw/zinc/87/92/16/1166879216.db2.gz NNDPSTXTJAULTG-WTKPLQERSA-N -1 1 316.369 0.850 20 0 DCADMM C/C=C(/C)C(=O)NCCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590349781 1166879226 /nfs/dbraw/zinc/87/92/26/1166879226.db2.gz NNDPSTXTJAULTG-WTKPLQERSA-N -1 1 316.369 0.850 20 0 DCADMM C/C=C(\C)C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590351753 1166882174 /nfs/dbraw/zinc/88/21/74/1166882174.db2.gz ZYSLZNYBORASPZ-YCRREMRBSA-N -1 1 302.342 0.541 20 0 DCADMM C/C=C(\C)C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590351753 1166882180 /nfs/dbraw/zinc/88/21/80/1166882180.db2.gz ZYSLZNYBORASPZ-YCRREMRBSA-N -1 1 302.342 0.541 20 0 DCADMM CCC(=O)N[C@H](C)CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001590363757 1166888053 /nfs/dbraw/zinc/88/80/53/1166888053.db2.gz UGJICIGHZWCPLK-SSDOTTSWSA-N -1 1 309.399 0.983 20 0 DCADMM CCC(C)(C)[C@@H](C)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590373237 1166891436 /nfs/dbraw/zinc/89/14/36/1166891436.db2.gz DKLGZAOBCHRUGO-RKDXNWHRSA-N -1 1 306.374 0.960 20 0 DCADMM CC/C(C)=C\C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001590389332 1166895053 /nfs/dbraw/zinc/89/50/53/1166895053.db2.gz RGXBSIBQSCQRLV-TWGQIWQCSA-N -1 1 302.342 0.541 20 0 DCADMM CC/C(C)=C\C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001590389332 1166895057 /nfs/dbraw/zinc/89/50/57/1166895057.db2.gz RGXBSIBQSCQRLV-TWGQIWQCSA-N -1 1 302.342 0.541 20 0 DCADMM CC[C@@H](C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001590394382 1166897966 /nfs/dbraw/zinc/89/79/66/1166897966.db2.gz ZLNRBDQQCHGWTR-SECBINFHSA-N -1 1 304.358 0.255 20 0 DCADMM CC[C@@H](C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001590394382 1166897974 /nfs/dbraw/zinc/89/79/74/1166897974.db2.gz ZLNRBDQQCHGWTR-SECBINFHSA-N -1 1 304.358 0.255 20 0 DCADMM CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590412797 1166901292 /nfs/dbraw/zinc/90/12/92/1166901292.db2.gz PBFRDWFSZFOVKQ-MRVPVSSYSA-N -1 1 306.326 0.494 20 0 DCADMM CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590412797 1166901300 /nfs/dbraw/zinc/90/13/00/1166901300.db2.gz PBFRDWFSZFOVKQ-MRVPVSSYSA-N -1 1 306.326 0.494 20 0 DCADMM CC[C@H](C)n1ncc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1C ZINC001590418567 1166902424 /nfs/dbraw/zinc/90/24/24/1166902424.db2.gz QVDXCULKXYKICW-ZETCQYMHSA-N -1 1 315.341 0.810 20 0 DCADMM CC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001590443025 1166905797 /nfs/dbraw/zinc/90/57/97/1166905797.db2.gz PLIXCAFMHKHZGK-QMMMGPOBSA-N -1 1 304.310 0.191 20 0 DCADMM CC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC001590443025 1166905800 /nfs/dbraw/zinc/90/58/00/1166905800.db2.gz PLIXCAFMHKHZGK-QMMMGPOBSA-N -1 1 304.310 0.191 20 0 DCADMM CC[C@@H](NS(=O)(=O)c1ccsc1-c1nn[nH]n1)C(=O)[O-] ZINC001590469330 1166916985 /nfs/dbraw/zinc/91/69/85/1166916985.db2.gz JQVLHIBDWSPHCX-RXMQYKEDSA-N -1 1 317.352 0.070 20 0 DCADMM CC[C@H](NS(=O)(=O)c1ccsc1-c1nn[nH]n1)C(=O)[O-] ZINC001590469331 1166917906 /nfs/dbraw/zinc/91/79/06/1166917906.db2.gz JQVLHIBDWSPHCX-YFKPBYRVSA-N -1 1 317.352 0.070 20 0 DCADMM CC[C@@]1(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCOC1 ZINC001590495055 1166922424 /nfs/dbraw/zinc/92/24/24/1166922424.db2.gz BNBPNNJWIHDEKG-CQSZACIVSA-N -1 1 302.338 0.490 20 0 DCADMM CC[C@@]1(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCOC1 ZINC001590495055 1166922432 /nfs/dbraw/zinc/92/24/32/1166922432.db2.gz BNBPNNJWIHDEKG-CQSZACIVSA-N -1 1 302.338 0.490 20 0 DCADMM CC[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001590518898 1166931563 /nfs/dbraw/zinc/93/15/63/1166931563.db2.gz QBCYNSRAEXWQSO-SCZZXKLOSA-N -1 1 303.326 0.496 20 0 DCADMM CC[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001590518898 1166931567 /nfs/dbraw/zinc/93/15/67/1166931567.db2.gz QBCYNSRAEXWQSO-SCZZXKLOSA-N -1 1 303.326 0.496 20 0 DCADMM CC/C=C(/C)C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590533341 1166936743 /nfs/dbraw/zinc/93/67/43/1166936743.db2.gz DNQAQOWAVOVJAD-HYHWUIIZSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C=C(/C)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590533341 1166936754 /nfs/dbraw/zinc/93/67/54/1166936754.db2.gz DNQAQOWAVOVJAD-HYHWUIIZSA-N -1 1 316.369 0.930 20 0 DCADMM CCC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590549653 1166941614 /nfs/dbraw/zinc/94/16/14/1166941614.db2.gz CIGHYGAVDMKNSX-MRVPVSSYSA-N -1 1 303.326 0.505 20 0 DCADMM CCC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590549653 1166941621 /nfs/dbraw/zinc/94/16/21/1166941621.db2.gz CIGHYGAVDMKNSX-MRVPVSSYSA-N -1 1 303.326 0.505 20 0 DCADMM CCCCc1nc(Cn2cncc(-c3nn[n-]n3)c2=O)no1 ZINC001590614792 1166949782 /nfs/dbraw/zinc/94/97/82/1166949782.db2.gz UROIMGYUCABRBU-UHFFFAOYSA-N -1 1 302.298 0.197 20 0 DCADMM CCCCCNC(=O)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590599520 1166949845 /nfs/dbraw/zinc/94/98/45/1166949845.db2.gz ZRAKONQOUWFOOU-UHFFFAOYSA-N -1 1 318.337 0.725 20 0 DCADMM CCCCCNC(=O)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590599520 1166949850 /nfs/dbraw/zinc/94/98/50/1166949850.db2.gz ZRAKONQOUWFOOU-UHFFFAOYSA-N -1 1 318.337 0.725 20 0 DCADMM CCCN(CC(=O)N(C)C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590620896 1166951102 /nfs/dbraw/zinc/95/11/02/1166951102.db2.gz SUPKYXSUXOKNOG-UHFFFAOYSA-N -1 1 317.353 0.202 20 0 DCADMM CCCN(CC(=O)N(C)C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590620896 1166951107 /nfs/dbraw/zinc/95/11/07/1166951107.db2.gz SUPKYXSUXOKNOG-UHFFFAOYSA-N -1 1 317.353 0.202 20 0 DCADMM CCCNC(=O)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590636262 1166958176 /nfs/dbraw/zinc/95/81/76/1166958176.db2.gz BKMHOMDHAWSEAW-QMMMGPOBSA-N -1 1 307.310 0.840 20 0 DCADMM CCCNC(=O)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590636262 1166958179 /nfs/dbraw/zinc/95/81/79/1166958179.db2.gz BKMHOMDHAWSEAW-QMMMGPOBSA-N -1 1 307.310 0.840 20 0 DCADMM CCN([C@H]1CCOC1)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590680167 1166969880 /nfs/dbraw/zinc/96/98/80/1166969880.db2.gz YOQMJRSMOYPGPA-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM CCN(CC)C(=O)CN(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590681559 1166972253 /nfs/dbraw/zinc/97/22/53/1166972253.db2.gz QWLKNRLZFJOUCB-UHFFFAOYSA-N -1 1 317.353 0.202 20 0 DCADMM CCN(CC)C(=O)CN(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590681559 1166972258 /nfs/dbraw/zinc/97/22/58/1166972258.db2.gz QWLKNRLZFJOUCB-UHFFFAOYSA-N -1 1 317.353 0.202 20 0 DCADMM CCN(C[C@@H](C)OC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590681003 1166972743 /nfs/dbraw/zinc/97/27/43/1166972743.db2.gz OTLIAHUJBIEXPK-MRVPVSSYSA-N -1 1 308.346 0.489 20 0 DCADMM CCN(C[C@@H](C)OC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590681003 1166972748 /nfs/dbraw/zinc/97/27/48/1166972748.db2.gz OTLIAHUJBIEXPK-MRVPVSSYSA-N -1 1 308.346 0.489 20 0 DCADMM CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590691516 1166976156 /nfs/dbraw/zinc/97/61/56/1166976156.db2.gz QYJMWLSXZYPUDG-SNVBAGLBSA-N -1 1 302.338 0.903 20 0 DCADMM CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590691516 1166976162 /nfs/dbraw/zinc/97/61/62/1166976162.db2.gz QYJMWLSXZYPUDG-SNVBAGLBSA-N -1 1 302.338 0.903 20 0 DCADMM CCN1C[C@H](CNC(=O)c2csc(-c3nn[n-]n3)c2)CC1=O ZINC001590730359 1166987249 /nfs/dbraw/zinc/98/72/49/1166987249.db2.gz OPQHHPZCXWPTDZ-QMMMGPOBSA-N -1 1 320.378 0.526 20 0 DCADMM CCN1CC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC001590732447 1166990048 /nfs/dbraw/zinc/99/00/48/1166990048.db2.gz LSMZWKJNNNHHHK-SSDOTTSWSA-N -1 1 307.335 0.706 20 0 DCADMM CCN1CC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC001590732447 1166990049 /nfs/dbraw/zinc/99/00/49/1166990049.db2.gz LSMZWKJNNNHHHK-SSDOTTSWSA-N -1 1 307.335 0.706 20 0 DCADMM CCN1CCOC[C@H]1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590736117 1166994139 /nfs/dbraw/zinc/99/41/39/1166994139.db2.gz LPGTWLZETAWQAP-QMMMGPOBSA-N -1 1 323.382 0.291 20 0 DCADMM CCN1CCOC[C@H]1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590736117 1166994148 /nfs/dbraw/zinc/99/41/48/1166994148.db2.gz LPGTWLZETAWQAP-QMMMGPOBSA-N -1 1 323.382 0.291 20 0 DCADMM CCNC(=O)C1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001590738001 1166998720 /nfs/dbraw/zinc/99/87/20/1166998720.db2.gz ODCDBIWEVQBOAR-UHFFFAOYSA-N -1 1 318.337 0.496 20 0 DCADMM CCNC(=O)C1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001590738001 1166998727 /nfs/dbraw/zinc/99/87/27/1166998727.db2.gz ODCDBIWEVQBOAR-UHFFFAOYSA-N -1 1 318.337 0.496 20 0 DCADMM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590751213 1167005173 /nfs/dbraw/zinc/00/51/73/1167005173.db2.gz PJFDYTPCIKZBRL-JGVFFNPUSA-N -1 1 307.310 0.777 20 0 DCADMM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590751213 1167005179 /nfs/dbraw/zinc/00/51/79/1167005179.db2.gz PJFDYTPCIKZBRL-JGVFFNPUSA-N -1 1 307.310 0.777 20 0 DCADMM CCOC(=O)[C@]1(C)CN(c2cccnc2-c2nnn[n-]2)CCO1 ZINC001590755410 1167009322 /nfs/dbraw/zinc/00/93/22/1167009322.db2.gz IITHGUADGQVVJV-AWEZNQCLSA-N -1 1 318.337 0.420 20 0 DCADMM CCOC(=O)[C@]1(C)CN(c2cccnc2-c2nn[n-]n2)CCO1 ZINC001590755410 1167009328 /nfs/dbraw/zinc/00/93/28/1167009328.db2.gz IITHGUADGQVVJV-AWEZNQCLSA-N -1 1 318.337 0.420 20 0 DCADMM CCOC(=O)CCN(CC1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001590761517 1167011088 /nfs/dbraw/zinc/01/10/88/1167011088.db2.gz CVMQARXAGXBACS-UHFFFAOYSA-N -1 1 317.353 0.826 20 0 DCADMM CCOC(=O)[C@H](CC)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590770660 1167016750 /nfs/dbraw/zinc/01/67/50/1167016750.db2.gz DRDZAYMFQQBHJT-JTQLQIEISA-N -1 1 305.294 0.760 20 0 DCADMM CCOC(=O)[C@H](CC)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590770660 1167016759 /nfs/dbraw/zinc/01/67/59/1167016759.db2.gz DRDZAYMFQQBHJT-JTQLQIEISA-N -1 1 305.294 0.760 20 0 DCADMM CCOC(OCC)[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590785252 1167019503 /nfs/dbraw/zinc/01/95/03/1167019503.db2.gz LLTOCJPTSQPKKR-VIFPVBQESA-N -1 1 320.353 0.779 20 0 DCADMM CCOC(OCC)[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590785252 1167019508 /nfs/dbraw/zinc/01/95/08/1167019508.db2.gz LLTOCJPTSQPKKR-VIFPVBQESA-N -1 1 320.353 0.779 20 0 DCADMM CCO[C@@H]1C[C@H](Nc2ncncc2-c2nn[n-]n2)[C@@]12CCCO2 ZINC001590791295 1167020561 /nfs/dbraw/zinc/02/05/61/1167020561.db2.gz MJMNTUOMSWWUOJ-WDMOLILDSA-N -1 1 317.353 0.795 20 0 DCADMM CCO[C@@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1OC ZINC001590792681 1167022307 /nfs/dbraw/zinc/02/23/07/1167022307.db2.gz UMNNTHFCEXPDGU-GDPRMGEGSA-N -1 1 305.342 0.569 20 0 DCADMM CCO[C@@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1OC ZINC001590792681 1167022310 /nfs/dbraw/zinc/02/23/10/1167022310.db2.gz UMNNTHFCEXPDGU-GDPRMGEGSA-N -1 1 305.342 0.569 20 0 DCADMM CCO[C@@H]1COCC[C@@H]1Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590796207 1167022427 /nfs/dbraw/zinc/02/24/27/1167022427.db2.gz JLUCPJKNUUZELQ-WCQYABFASA-N -1 1 304.354 0.598 20 0 DCADMM CCO[C@@H]1COCC[C@@H]1Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590796207 1167022430 /nfs/dbraw/zinc/02/24/30/1167022430.db2.gz JLUCPJKNUUZELQ-WCQYABFASA-N -1 1 304.354 0.598 20 0 DCADMM CCO[C@@H]1COC[C@H]1Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590821369 1167033704 /nfs/dbraw/zinc/03/37/04/1167033704.db2.gz DPHSMAWIWCIEGG-NXEZZACHSA-N -1 1 305.342 0.435 20 0 DCADMM CCO[C@@H]1COC[C@H]1Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590821369 1167033709 /nfs/dbraw/zinc/03/37/09/1167033709.db2.gz DPHSMAWIWCIEGG-NXEZZACHSA-N -1 1 305.342 0.435 20 0 DCADMM CCOc1ccc(OCCn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001590839406 1167036371 /nfs/dbraw/zinc/03/63/71/1167036371.db2.gz TZQTZYUKOBOBGC-UHFFFAOYSA-N -1 1 301.310 0.936 20 0 DCADMM CCc1nc(N[C@@H](CO)C[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001590915839 1167048086 /nfs/dbraw/zinc/04/80/86/1167048086.db2.gz PSLFLNKNBWLNSU-ZJUUUORDSA-N -1 1 319.369 0.561 20 0 DCADMM CCc1nc(N[C@@H](CO)C[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001590915839 1167048092 /nfs/dbraw/zinc/04/80/92/1167048092.db2.gz PSLFLNKNBWLNSU-ZJUUUORDSA-N -1 1 319.369 0.561 20 0 DCADMM CCc1nc(NC[C@](C)(O)C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590916531 1167049068 /nfs/dbraw/zinc/04/90/68/1167049068.db2.gz SMLZOYHMEGHCCV-JTQLQIEISA-N -1 1 317.275 0.944 20 0 DCADMM CCc1nc(NC[C@](C)(O)C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590916531 1167049074 /nfs/dbraw/zinc/04/90/74/1167049074.db2.gz SMLZOYHMEGHCCV-JTQLQIEISA-N -1 1 317.275 0.944 20 0 DCADMM CCc1nc(N[C@@H](CO)[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001590915861 1167049188 /nfs/dbraw/zinc/04/91/88/1167049188.db2.gz SKYRSKHBVJNHSI-SCZZXKLOSA-N -1 1 305.342 0.028 20 0 DCADMM CCc1nc(N[C@@H](CO)[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001590915861 1167049194 /nfs/dbraw/zinc/04/91/94/1167049194.db2.gz SKYRSKHBVJNHSI-SCZZXKLOSA-N -1 1 305.342 0.028 20 0 DCADMM CCc1nc(NCC(=O)NCC(F)F)cc(-c2nnn[n-]2)n1 ZINC001590916886 1167050723 /nfs/dbraw/zinc/05/07/23/1167050723.db2.gz XDAVCZYGTNFNBN-UHFFFAOYSA-N -1 1 312.284 0.012 20 0 DCADMM CCc1nc(NCC(=O)NCC(F)F)cc(-c2nn[n-]n2)n1 ZINC001590916886 1167050729 /nfs/dbraw/zinc/05/07/29/1167050729.db2.gz XDAVCZYGTNFNBN-UHFFFAOYSA-N -1 1 312.284 0.012 20 0 DCADMM CCc1nc(NC[C@H](O)[C@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001590917559 1167052656 /nfs/dbraw/zinc/05/26/56/1167052656.db2.gz QYSVLQRTKHAWOE-VHSXEESVSA-N -1 1 305.342 0.171 20 0 DCADMM CCc1nc(NC[C@H](O)[C@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001590917559 1167052662 /nfs/dbraw/zinc/05/26/62/1167052662.db2.gz QYSVLQRTKHAWOE-VHSXEESVSA-N -1 1 305.342 0.171 20 0 DCADMM CCc1nnsc1C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001590934240 1167056635 /nfs/dbraw/zinc/05/66/35/1167056635.db2.gz MKVAOAIQIOUEQN-UHFFFAOYSA-N -1 1 319.354 0.575 20 0 DCADMM CCc1nnsc1C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001590934240 1167056638 /nfs/dbraw/zinc/05/66/38/1167056638.db2.gz MKVAOAIQIOUEQN-UHFFFAOYSA-N -1 1 319.354 0.575 20 0 DCADMM CCn1nccc1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001590969702 1167061910 /nfs/dbraw/zinc/06/19/10/1167061910.db2.gz RKHJXUDGHVHMKO-UHFFFAOYSA-N -1 1 301.314 0.377 20 0 DCADMM CCn1nccc1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001590969702 1167061911 /nfs/dbraw/zinc/06/19/11/1167061911.db2.gz RKHJXUDGHVHMKO-UHFFFAOYSA-N -1 1 301.314 0.377 20 0 DCADMM CCn1ncnc1COC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590971053 1167063237 /nfs/dbraw/zinc/06/32/37/1167063237.db2.gz LKUHBGXGURPEJN-UHFFFAOYSA-N -1 1 305.323 0.897 20 0 DCADMM CCn1ncnc1COC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590971053 1167063246 /nfs/dbraw/zinc/06/32/46/1167063246.db2.gz LKUHBGXGURPEJN-UHFFFAOYSA-N -1 1 305.323 0.897 20 0 DCADMM CN(C(=O)C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1nn[n-]n1 ZINC001590975465 1167064837 /nfs/dbraw/zinc/06/48/37/1167064837.db2.gz GMPBFUHPLHCVSA-UHFFFAOYSA-N -1 1 311.309 0.074 20 0 DCADMM CN(C(=O)c1coc(-c2nnn[n-]2)c1)[C@@H]1CC(C)(C)OC1=O ZINC001590998147 1167068304 /nfs/dbraw/zinc/06/83/04/1167068304.db2.gz DNYDUCYISRXUDV-MRVPVSSYSA-N -1 1 305.294 0.626 20 0 DCADMM CN(C(=O)c1coc(-c2nn[n-]n2)c1)[C@@H]1CC(C)(C)OC1=O ZINC001590998147 1167068306 /nfs/dbraw/zinc/06/83/06/1167068306.db2.gz DNYDUCYISRXUDV-MRVPVSSYSA-N -1 1 305.294 0.626 20 0 DCADMM CN(CC(F)F)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001591043811 1167091596 /nfs/dbraw/zinc/09/15/96/1167091596.db2.gz IGVUDZLYNQXZRG-UHFFFAOYSA-N -1 1 324.339 0.822 20 0 DCADMM CN(CC(F)F)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001591043811 1167091602 /nfs/dbraw/zinc/09/16/02/1167091602.db2.gz IGVUDZLYNQXZRG-UHFFFAOYSA-N -1 1 324.339 0.822 20 0 DCADMM CN(C[C@@H](O)Cc1ccccc1)c1cc(-c2nnn[n-]2)ncn1 ZINC001591048724 1167091873 /nfs/dbraw/zinc/09/18/73/1167091873.db2.gz DCXVXTYGTMHBHS-LBPRGKRZSA-N -1 1 311.349 0.697 20 0 DCADMM CN(C[C@@H](O)Cc1ccccc1)c1cc(-c2nn[n-]n2)ncn1 ZINC001591048724 1167091876 /nfs/dbraw/zinc/09/18/76/1167091876.db2.gz DCXVXTYGTMHBHS-LBPRGKRZSA-N -1 1 311.349 0.697 20 0 DCADMM CN(CC1(C)COC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591053343 1167094222 /nfs/dbraw/zinc/09/42/22/1167094222.db2.gz PUOAVXCOMWTXKO-UHFFFAOYSA-N -1 1 313.339 0.117 20 0 DCADMM CN(CCCCO)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001591065674 1167101100 /nfs/dbraw/zinc/10/11/00/1167101100.db2.gz 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ZINC001591231067 1167168431 /nfs/dbraw/zinc/16/84/31/1167168431.db2.gz AXMLRHJVOJOETE-LLVKDONJSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)CC(C)C ZINC001591232165 1167168625 /nfs/dbraw/zinc/16/86/25/1167168625.db2.gz LPTMZHKXIBKFEC-SECBINFHSA-N -1 1 305.342 0.904 20 0 DCADMM COC(=O)[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)CC(C)C ZINC001591232165 1167168627 /nfs/dbraw/zinc/16/86/27/1167168627.db2.gz LPTMZHKXIBKFEC-SECBINFHSA-N -1 1 305.342 0.904 20 0 DCADMM COC(=O)C1CCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)CC1 ZINC001591251858 1167178126 /nfs/dbraw/zinc/17/81/26/1167178126.db2.gz HATNRNNRWAQENL-UHFFFAOYSA-N -1 1 319.321 0.793 20 0 DCADMM COC(=O)C1CCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)CC1 ZINC001591251858 1167178128 /nfs/dbraw/zinc/17/81/28/1167178128.db2.gz HATNRNNRWAQENL-UHFFFAOYSA-N -1 1 319.321 0.793 20 0 DCADMM COC(=O)CC(C)(C)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591258075 1167180726 /nfs/dbraw/zinc/18/07/26/1167180726.db2.gz YKYYVEMYVCCLCC-UHFFFAOYSA-N -1 1 318.337 0.581 20 0 DCADMM COC(=O)CC(C)(C)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591258075 1167180728 /nfs/dbraw/zinc/18/07/28/1167180728.db2.gz YKYYVEMYVCCLCC-UHFFFAOYSA-N -1 1 318.337 0.581 20 0 DCADMM COC(=O)/C=C/[C@@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591255548 1167181491 /nfs/dbraw/zinc/18/14/91/1167181491.db2.gz CGIKZEOHMOPLET-KGGZQZJCSA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)/C=C/[C@@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591255548 1167181497 /nfs/dbraw/zinc/18/14/97/1167181497.db2.gz CGIKZEOHMOPLET-KGGZQZJCSA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)C[C@H](C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001591257442 1167181506 /nfs/dbraw/zinc/18/15/06/1167181506.db2.gz MBDYKVTZRZZQCP-QMMMGPOBSA-N -1 1 304.310 0.077 20 0 DCADMM COC(=O)C[C@H](C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001591257442 1167181511 /nfs/dbraw/zinc/18/15/11/1167181511.db2.gz MBDYKVTZRZZQCP-QMMMGPOBSA-N -1 1 304.310 0.077 20 0 DCADMM COC(=O)N(C)CCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591271822 1167190619 /nfs/dbraw/zinc/19/06/19/1167190619.db2.gz 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COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591280684 1167197841 /nfs/dbraw/zinc/19/78/41/1167197841.db2.gz IPNVMLPGMHMWIN-CBAPKCEASA-N -1 1 323.284 0.494 20 0 DCADMM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591280684 1167197851 /nfs/dbraw/zinc/19/78/51/1167197851.db2.gz IPNVMLPGMHMWIN-CBAPKCEASA-N -1 1 323.284 0.494 20 0 DCADMM COC(=O)c1ccc(N[C@@H](C)C(OC)OC)c(-c2nnn[n-]2)n1 ZINC001591296984 1167202431 /nfs/dbraw/zinc/20/24/31/1167202431.db2.gz ZFAZTXZTOSYJSI-ZETCQYMHSA-N -1 1 322.325 0.468 20 0 DCADMM COC(=O)c1ccc(N[C@@H](C)C(OC)OC)c(-c2nn[n-]n2)n1 ZINC001591296984 1167202436 /nfs/dbraw/zinc/20/24/36/1167202436.db2.gz ZFAZTXZTOSYJSI-ZETCQYMHSA-N -1 1 322.325 0.468 20 0 DCADMM COC(=O)c1cccc(Cn2cnc(-c3nn[n-]n3)n2)c1Cl ZINC001591302509 1167205186 /nfs/dbraw/zinc/20/51/86/1167205186.db2.gz MRWNFKDPNSJYPK-UHFFFAOYSA-N -1 1 319.712 0.947 20 0 DCADMM CO[C@@H](C)c1nc(CNc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001591325539 1167218430 /nfs/dbraw/zinc/21/84/30/1167218430.db2.gz QMYRZFUMGMEHNI-ZETCQYMHSA-N -1 1 318.366 0.855 20 0 DCADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591345188 1167224805 /nfs/dbraw/zinc/22/48/05/1167224805.db2.gz HMCKCXLCRLYWPD-BDPUXZDNSA-N -1 1 315.333 0.955 20 0 DCADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591345188 1167224812 /nfs/dbraw/zinc/22/48/12/1167224812.db2.gz HMCKCXLCRLYWPD-BDPUXZDNSA-N -1 1 315.333 0.955 20 0 DCADMM CO[C@@H]1CC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591350100 1167227755 /nfs/dbraw/zinc/22/77/55/1167227755.db2.gz DERCTZAEAUEGCN-RKDXNWHRSA-N -1 1 303.326 0.951 20 0 DCADMM CO[C@@H]1CC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591350100 1167227762 /nfs/dbraw/zinc/22/77/62/1167227762.db2.gz DERCTZAEAUEGCN-RKDXNWHRSA-N -1 1 303.326 0.951 20 0 DCADMM CO[C@H]1CC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591350094 1167227772 /nfs/dbraw/zinc/22/77/72/1167227772.db2.gz DERCTZAEAUEGCN-BDAKNGLRSA-N -1 1 303.326 0.951 20 0 DCADMM CO[C@H]1CC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591350094 1167227778 /nfs/dbraw/zinc/22/77/78/1167227778.db2.gz DERCTZAEAUEGCN-BDAKNGLRSA-N -1 1 303.326 0.951 20 0 DCADMM CO[C@H]1CC[C@H](C)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591347741 1167228725 /nfs/dbraw/zinc/22/87/25/1167228725.db2.gz JJXMGIDNJQITID-UWVGGRQHSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@H]1CC[C@H](C)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591347741 1167228730 /nfs/dbraw/zinc/22/87/30/1167228730.db2.gz JJXMGIDNJQITID-UWVGGRQHSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@@H]1CC[C@@H](C)N(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591347057 1167229048 /nfs/dbraw/zinc/22/90/48/1167229048.db2.gz BDCKMVANOGRLOD-MWLCHTKSSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@@H]1CC[C@@H](C)N(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591347057 1167229056 /nfs/dbraw/zinc/22/90/56/1167229056.db2.gz BDCKMVANOGRLOD-MWLCHTKSSA-N -1 1 302.338 0.901 20 0 DCADMM COC1CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001591357635 1167229673 /nfs/dbraw/zinc/22/96/73/1167229673.db2.gz OEPQGLSVOJFYQY-UHFFFAOYSA-N -1 1 323.382 0.644 20 0 DCADMM COC1CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001591357635 1167229682 /nfs/dbraw/zinc/22/96/82/1167229682.db2.gz OEPQGLSVOJFYQY-UHFFFAOYSA-N -1 1 323.382 0.644 20 0 DCADMM COC[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001591382178 1167252377 /nfs/dbraw/zinc/25/23/77/1167252377.db2.gz RBLVQQDEIGFSOW-NXEZZACHSA-N -1 1 323.378 0.852 20 0 DCADMM COC[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001591382178 1167252385 /nfs/dbraw/zinc/25/23/85/1167252385.db2.gz RBLVQQDEIGFSOW-NXEZZACHSA-N -1 1 323.378 0.852 20 0 DCADMM COCC1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001591388591 1167257509 /nfs/dbraw/zinc/25/75/09/1167257509.db2.gz GCCIWRWZHIPWAH-UHFFFAOYSA-N -1 1 305.342 0.512 20 0 DCADMM COCC1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001591388591 1167257513 /nfs/dbraw/zinc/25/75/13/1167257513.db2.gz GCCIWRWZHIPWAH-UHFFFAOYSA-N -1 1 305.342 0.512 20 0 DCADMM COCC[C@@H](C)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591399152 1167268224 /nfs/dbraw/zinc/26/82/24/1167268224.db2.gz NJXQTFUOSFBYLR-SSDOTTSWSA-N -1 1 311.371 0.547 20 0 DCADMM COCC[C@@H](C)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591399152 1167268229 /nfs/dbraw/zinc/26/82/29/1167268229.db2.gz NJXQTFUOSFBYLR-SSDOTTSWSA-N -1 1 311.371 0.547 20 0 DCADMM COCC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591402663 1167269561 /nfs/dbraw/zinc/26/95/61/1167269561.db2.gz DKTXEFDDQRXVSI-LLVKDONJSA-N -1 1 318.337 0.139 20 0 DCADMM COCC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591402663 1167269565 /nfs/dbraw/zinc/26/95/65/1167269565.db2.gz DKTXEFDDQRXVSI-LLVKDONJSA-N -1 1 318.337 0.139 20 0 DCADMM COCCCCC(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001591411136 1167271243 /nfs/dbraw/zinc/27/12/43/1167271243.db2.gz SNFMHNTVBSLOTI-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM COCCCCC(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001591411136 1167271251 /nfs/dbraw/zinc/27/12/51/1167271251.db2.gz SNFMHNTVBSLOTI-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM COCCCN(CCOC)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591414793 1167275940 /nfs/dbraw/zinc/27/59/40/1167275940.db2.gz YCBBZWHVTODDJB-UHFFFAOYSA-N -1 1 307.358 0.454 20 0 DCADMM COCCCN(CCOC)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591414793 1167275947 /nfs/dbraw/zinc/27/59/47/1167275947.db2.gz YCBBZWHVTODDJB-UHFFFAOYSA-N -1 1 307.358 0.454 20 0 DCADMM COCCN1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001591430313 1167280569 /nfs/dbraw/zinc/28/05/69/1167280569.db2.gz KDZLSCMPBLFHCU-UHFFFAOYSA-N -1 1 309.399 0.087 20 0 DCADMM COCCN1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001591430313 1167280573 /nfs/dbraw/zinc/28/05/73/1167280573.db2.gz KDZLSCMPBLFHCU-UHFFFAOYSA-N -1 1 309.399 0.087 20 0 DCADMM COCCN1C(=O)C2(CC2)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC001591428967 1167281504 /nfs/dbraw/zinc/28/15/04/1167281504.db2.gz LKTVXXZZKLBYHL-LLVKDONJSA-N -1 1 320.378 0.538 20 0 DCADMM COCCONC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001591441223 1167289668 /nfs/dbraw/zinc/28/96/68/1167289668.db2.gz XLUSLDUEDCXCOY-UHFFFAOYSA-N -1 1 302.294 0.656 20 0 DCADMM COCc1nc(CNc2ncncc2-c2nn[n-]n2)cs1 ZINC001591459460 1167293993 /nfs/dbraw/zinc/29/39/93/1167293993.db2.gz IVZCBEUJNZOFDB-UHFFFAOYSA-N -1 1 304.339 0.872 20 0 DCADMM CO[C@@H]1COC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001591471618 1167302699 /nfs/dbraw/zinc/30/26/99/1167302699.db2.gz DTBDGAVRMCDVLD-RKDXNWHRSA-N -1 1 324.728 0.059 20 0 DCADMM COc1ccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001591595918 1167336911 /nfs/dbraw/zinc/33/69/11/1167336911.db2.gz OCEWIMPMHCSEAB-UHFFFAOYSA-N -1 1 300.278 0.793 20 0 DCADMM COc1ccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001591595918 1167336916 /nfs/dbraw/zinc/33/69/16/1167336916.db2.gz OCEWIMPMHCSEAB-UHFFFAOYSA-N -1 1 300.278 0.793 20 0 DCADMM COc1ccccc1C(=O)COc1cnc(-c2nn[n-]n2)nc1 ZINC001591649107 1167341076 /nfs/dbraw/zinc/34/10/76/1167341076.db2.gz HXBQCVNRYZCYOH-UHFFFAOYSA-N -1 1 312.289 0.927 20 0 DCADMM COc1ccnc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001591655266 1167342021 /nfs/dbraw/zinc/34/20/21/1167342021.db2.gz IYKKOSDYKUGFKP-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1ccnc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001591655266 1167342029 /nfs/dbraw/zinc/34/20/29/1167342029.db2.gz IYKKOSDYKUGFKP-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM C[S@](=N)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001591671669 1167347926 /nfs/dbraw/zinc/34/79/26/1167347926.db2.gz XAZRBGKYLWVCAP-OAQYLSRUSA-N -1 1 311.371 0.169 20 0 DCADMM C[S@](=N)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001591671669 1167347934 /nfs/dbraw/zinc/34/79/34/1167347934.db2.gz XAZRBGKYLWVCAP-OAQYLSRUSA-N -1 1 311.371 0.169 20 0 DCADMM CS(=O)(=O)C[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591671435 1167348325 /nfs/dbraw/zinc/34/83/25/1167348325.db2.gz MVEMFOADDIRNFZ-VIFPVBQESA-N -1 1 308.367 0.133 20 0 DCADMM CS(=O)(=O)C[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591671435 1167348329 /nfs/dbraw/zinc/34/83/29/1167348329.db2.gz MVEMFOADDIRNFZ-VIFPVBQESA-N -1 1 308.367 0.133 20 0 DCADMM C[S@@](=N)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001591671665 1167348967 /nfs/dbraw/zinc/34/89/67/1167348967.db2.gz XAZRBGKYLWVCAP-NRFANRHFSA-N -1 1 311.371 0.169 20 0 DCADMM C[S@@](=N)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001591671665 1167348973 /nfs/dbraw/zinc/34/89/73/1167348973.db2.gz XAZRBGKYLWVCAP-NRFANRHFSA-N -1 1 311.371 0.169 20 0 DCADMM CS(=O)(=O)C1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001591673004 1167349150 /nfs/dbraw/zinc/34/91/50/1167349150.db2.gz CVFNMOFMHOUASF-UHFFFAOYSA-N -1 1 320.787 0.210 20 0 DCADMM CS(=O)(=O)C1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001591673004 1167349155 /nfs/dbraw/zinc/34/91/55/1167349155.db2.gz CVFNMOFMHOUASF-UHFFFAOYSA-N -1 1 320.787 0.210 20 0 DCADMM CS(=O)(=O)C1(COC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001591671672 1167349297 /nfs/dbraw/zinc/34/92/97/1167349297.db2.gz IEJVFXWWFUBTTP-UHFFFAOYSA-N -1 1 312.307 0.194 20 0 DCADMM C[S@](=O)[C@H]1CC[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591683129 1167351342 /nfs/dbraw/zinc/35/13/42/1167351342.db2.gz TYOXOVCAFSQRLX-HORACTTISA-N -1 1 309.351 0.489 20 0 DCADMM C[S@](=O)[C@H]1CC[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591683129 1167351348 /nfs/dbraw/zinc/35/13/48/1167351348.db2.gz TYOXOVCAFSQRLX-HORACTTISA-N -1 1 309.351 0.489 20 0 DCADMM CS[C@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591690638 1167354236 /nfs/dbraw/zinc/35/42/36/1167354236.db2.gz PPYLUOKUXIDDSP-JTQLQIEISA-N -1 1 304.379 0.768 20 0 DCADMM CS[C@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591690638 1167354242 /nfs/dbraw/zinc/35/42/42/1167354242.db2.gz PPYLUOKUXIDDSP-JTQLQIEISA-N -1 1 304.379 0.768 20 0 DCADMM CSC[C@H](CCO)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591696029 1167355107 /nfs/dbraw/zinc/35/51/07/1167355107.db2.gz PACJPBGPHHFAOG-QMMMGPOBSA-N -1 1 323.382 0.497 20 0 DCADMM CSC[C@H](CCO)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591696029 1167355113 /nfs/dbraw/zinc/35/51/13/1167355113.db2.gz PACJPBGPHHFAOG-QMMMGPOBSA-N -1 1 323.382 0.497 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@H]2CCC[C@H](C)C2)c(=O)n1C ZINC001591793894 1167381556 /nfs/dbraw/zinc/38/15/56/1167381556.db2.gz NJMNSFNCHWDTCB-ONGXEEELSA-N -1 1 318.381 0.862 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1nccn1C ZINC001591836192 1167390771 /nfs/dbraw/zinc/39/07/71/1167390771.db2.gz FIYVCFNXALBQGQ-UHFFFAOYSA-N -1 1 300.282 0.262 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3=C(CCC(=O)N3)C2)n1 ZINC001591889665 1167410761 /nfs/dbraw/zinc/41/07/61/1167410761.db2.gz YHRQMEYKZXUOSR-UHFFFAOYSA-N -1 1 312.337 0.339 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3=C(CCC(=O)N3)C2)n1 ZINC001591889665 1167410765 /nfs/dbraw/zinc/41/07/65/1167410765.db2.gz YHRQMEYKZXUOSR-UHFFFAOYSA-N -1 1 312.337 0.339 20 0 DCADMM Cc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc(Cl)n1 ZINC001591941402 1167422742 /nfs/dbraw/zinc/42/27/42/1167422742.db2.gz VHIZAXHHMOSKIJ-UHFFFAOYSA-N -1 1 304.701 0.691 20 0 DCADMM Cc1cc(N2CCN3C(=O)OCC[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592006853 1167433256 /nfs/dbraw/zinc/43/32/56/1167433256.db2.gz AJCDKNAQSSENPW-JTQLQIEISA-N -1 1 315.337 0.601 20 0 DCADMM Cc1cc(N2CCN3C(=O)OCC[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592006853 1167433259 /nfs/dbraw/zinc/43/32/59/1167433259.db2.gz AJCDKNAQSSENPW-JTQLQIEISA-N -1 1 315.337 0.601 20 0 DCADMM Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)nc(C)n1 ZINC001592018603 1167437445 /nfs/dbraw/zinc/43/74/45/1167437445.db2.gz DJCNWSSRILHUIC-UHFFFAOYSA-N -1 1 310.321 0.850 20 0 DCADMM Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)nc(C)n1 ZINC001592018603 1167437450 /nfs/dbraw/zinc/43/74/50/1167437450.db2.gz DJCNWSSRILHUIC-UHFFFAOYSA-N -1 1 310.321 0.850 20 0 DCADMM Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cc1-c1nn[nH]n1 ZINC001592153603 1167462763 /nfs/dbraw/zinc/46/27/63/1167462763.db2.gz HJSYMLSYZJBMSY-YPMHNXCESA-N -1 1 303.366 0.757 20 0 DCADMM Cc1ccc([C@@H](C)C(=O)NCCn2cnc(-c3nn[n-]n3)n2)o1 ZINC001592134565 1167463510 /nfs/dbraw/zinc/46/35/10/1167463510.db2.gz FTZNRORGXULFCI-SECBINFHSA-N -1 1 316.325 0.280 20 0 DCADMM Cc1ccc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)nc1-c1nnn[n-]1 ZINC001592177643 1167469851 /nfs/dbraw/zinc/46/98/51/1167469851.db2.gz DYCBSGDHVLAYMS-GHMZBOCLSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001592177643 1167469865 /nfs/dbraw/zinc/46/98/65/1167469865.db2.gz DYCBSGDHVLAYMS-GHMZBOCLSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(N[C@H]2CCc3nnn(C)c3C2)nc1-c1nnn[n-]1 ZINC001592183475 1167470044 /nfs/dbraw/zinc/47/00/44/1167470044.db2.gz FJTSNOYDZYSWNW-VIFPVBQESA-N -1 1 311.353 0.668 20 0 DCADMM Cc1ccc(N[C@H]2CCc3nnn(C)c3C2)nc1-c1nn[n-]n1 ZINC001592183475 1167470049 /nfs/dbraw/zinc/47/00/49/1167470049.db2.gz FJTSNOYDZYSWNW-VIFPVBQESA-N -1 1 311.353 0.668 20 0 DCADMM Cc1ccc(NC[C@@H]2CCCS(=O)(=O)C2)c(-c2nnn[n-]2)n1 ZINC001592182845 1167470159 /nfs/dbraw/zinc/47/01/59/1167470159.db2.gz BQGMGYSUJWMLQI-JTQLQIEISA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(NC[C@@H]2CCCS(=O)(=O)C2)c(-c2nn[n-]n2)n1 ZINC001592182845 1167470164 /nfs/dbraw/zinc/47/01/64/1167470164.db2.gz BQGMGYSUJWMLQI-JTQLQIEISA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592176259 1167471138 /nfs/dbraw/zinc/47/11/38/1167471138.db2.gz YLOQQIZMHDSCKT-AOOOYVTPSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592176259 1167471142 /nfs/dbraw/zinc/47/11/42/1167471142.db2.gz YLOQQIZMHDSCKT-AOOOYVTPSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1cccc2c1O[C@H](C(=O)n1ncc(-c3nn[n-]n3)c1N)C2 ZINC001592244780 1167477303 /nfs/dbraw/zinc/47/73/03/1167477303.db2.gz KBCBUAJJOKZMSO-JTQLQIEISA-N -1 1 311.305 0.598 20 0 DCADMM Cc1ccn(Cc2cn3cccnc3n2)c(=O)c1-c1nn[n-]n1 ZINC001592266339 1167479523 /nfs/dbraw/zinc/47/95/23/1167479523.db2.gz ZNKCVRPIAIXRFU-UHFFFAOYSA-N -1 1 308.305 0.428 20 0 DCADMM Cc1ccn(CN2CCO[C@@H]3CCC[C@@H]32)c(=O)c1-c1nn[n-]n1 ZINC001592267073 1167480573 /nfs/dbraw/zinc/48/05/73/1167480573.db2.gz LLWCMYYLBGBVCI-NWDGAFQWSA-N -1 1 316.365 0.548 20 0 DCADMM Cc1cnc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001592290176 1167484608 /nfs/dbraw/zinc/48/46/08/1167484608.db2.gz HJHSGEXWNSUBRG-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1ccoc1CNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001592284254 1167484949 /nfs/dbraw/zinc/48/49/49/1167484949.db2.gz UFBZVCDXKDFFTA-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1[nH]nc(NC(=O)CNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001592328211 1167489881 /nfs/dbraw/zinc/48/98/81/1167489881.db2.gz PCYTVVPTODHSOQ-UHFFFAOYSA-N -1 1 322.329 0.361 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnc3nccnc3c2)c1-c1nn[n-]n1 ZINC001592331292 1167490844 /nfs/dbraw/zinc/49/08/44/1167490844.db2.gz ZHPPQYVHCCZYLF-UHFFFAOYSA-N -1 1 322.292 0.489 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCCC[C@H]2O)n1 ZINC001592338573 1167494187 /nfs/dbraw/zinc/49/41/87/1167494187.db2.gz IELYZCKODZVBRN-CMPLNLGQSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCCC[C@H]2O)n1 ZINC001592338573 1167494191 /nfs/dbraw/zinc/49/41/91/1167494191.db2.gz IELYZCKODZVBRN-CMPLNLGQSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cs1 ZINC001592359056 1167503520 /nfs/dbraw/zinc/50/35/20/1167503520.db2.gz PFPSZDOZPRDJGG-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nc(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cs1 ZINC001592359056 1167503528 /nfs/dbraw/zinc/50/35/28/1167503528.db2.gz PFPSZDOZPRDJGG-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nc(NCc2nncn2C(C)C)cc(-c2nnn[n-]2)n1 ZINC001592394385 1167511993 /nfs/dbraw/zinc/51/19/93/1167511993.db2.gz RZCFGPCWJHHKTP-UHFFFAOYSA-N -1 1 300.330 0.750 20 0 DCADMM Cc1nc(NCc2nncn2C(C)C)cc(-c2nn[n-]n2)n1 ZINC001592394385 1167511998 /nfs/dbraw/zinc/51/19/98/1167511998.db2.gz RZCFGPCWJHHKTP-UHFFFAOYSA-N -1 1 300.330 0.750 20 0 DCADMM Cc1[nH]c(=S)sc1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592397483 1167512237 /nfs/dbraw/zinc/51/22/37/1167512237.db2.gz RQZZWGWIBPAMTR-UHFFFAOYSA-N -1 1 322.379 0.582 20 0 DCADMM Cc1cnc(C)nc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592408635 1167515996 /nfs/dbraw/zinc/51/59/96/1167515996.db2.gz UGMUVFUAVZOMCF-UHFFFAOYSA-N -1 1 310.321 0.850 20 0 DCADMM Cc1cnc(C)nc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592408635 1167516001 /nfs/dbraw/zinc/51/60/01/1167516001.db2.gz UGMUVFUAVZOMCF-UHFFFAOYSA-N -1 1 310.321 0.850 20 0 DCADMM Cc1ncsc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592423443 1167517974 /nfs/dbraw/zinc/51/79/74/1167517974.db2.gz KRBBZQXPIQHEPO-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1ncsc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592423443 1167517984 /nfs/dbraw/zinc/51/79/84/1167517984.db2.gz KRBBZQXPIQHEPO-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1nn(CC[C@@H]2COC(C)(C)O2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436816 1167523569 /nfs/dbraw/zinc/52/35/69/1167523569.db2.gz AVPLMMCSRYFELF-SNVBAGLBSA-N -1 1 320.353 0.582 20 0 DCADMM Cc1nn(C[C@@](C)(O)C(F)F)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436670 1167523658 /nfs/dbraw/zinc/52/36/58/1167523658.db2.gz YJZHGBNRJKGQDV-LLVKDONJSA-N -1 1 300.269 0.056 20 0 DCADMM Cc1nnc(CNc2c3ccccc3nnc2-c2nnn[n-]2)n1C ZINC001592442991 1167525275 /nfs/dbraw/zinc/52/52/75/1167525275.db2.gz JTMRPYHPWSDKBD-UHFFFAOYSA-N -1 1 322.336 0.859 20 0 DCADMM Cc1nnc(CNc2c3ccccc3nnc2-c2nn[n-]n2)n1C ZINC001592442991 1167525277 /nfs/dbraw/zinc/52/52/77/1167525277.db2.gz JTMRPYHPWSDKBD-UHFFFAOYSA-N -1 1 322.336 0.859 20 0 DCADMM Cc1nnc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592444122 1167528170 /nfs/dbraw/zinc/52/81/70/1167528170.db2.gz PAEUYHRMTWNQJT-UHFFFAOYSA-N -1 1 301.270 0.275 20 0 DCADMM Cc1nnc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592444122 1167528174 /nfs/dbraw/zinc/52/81/74/1167528174.db2.gz PAEUYHRMTWNQJT-UHFFFAOYSA-N -1 1 301.270 0.275 20 0 DCADMM Cc1noc(CCCOC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592462449 1167531415 /nfs/dbraw/zinc/53/14/15/1167531415.db2.gz HSINFNVWNVVHTR-UHFFFAOYSA-N -1 1 315.293 0.743 20 0 DCADMM Cc1noc(CCCOC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592462449 1167531422 /nfs/dbraw/zinc/53/14/22/1167531422.db2.gz HSINFNVWNVVHTR-UHFFFAOYSA-N -1 1 315.293 0.743 20 0 DCADMM Cc1nsc(N2CC[C@H](S(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC001592474174 1167534857 /nfs/dbraw/zinc/53/48/57/1167534857.db2.gz HDWKKRGEPFNERI-ZETCQYMHSA-N -1 1 314.396 0.255 20 0 DCADMM Cc1nsc(NC(=O)NC[C@H](C)CCO)c1-c1nnn[n-]1 ZINC001592481222 1167535756 /nfs/dbraw/zinc/53/57/56/1167535756.db2.gz IWUSQHIUKYSDRC-ZCFIWIBFSA-N -1 1 311.371 0.772 20 0 DCADMM Cc1nsc(NC(=O)NC[C@H](C)CCO)c1-c1nn[n-]n1 ZINC001592481222 1167535760 /nfs/dbraw/zinc/53/57/60/1167535760.db2.gz IWUSQHIUKYSDRC-ZCFIWIBFSA-N -1 1 311.371 0.772 20 0 DCADMM Cc1nsc(NC(=O)NC[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC001592481969 1167537837 /nfs/dbraw/zinc/53/78/37/1167537837.db2.gz YRZHQOGUGOCHMH-ZETCQYMHSA-N -1 1 309.355 0.790 20 0 DCADMM Cc1nsc(NC(=O)NC[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC001592481969 1167537842 /nfs/dbraw/zinc/53/78/42/1167537842.db2.gz YRZHQOGUGOCHMH-ZETCQYMHSA-N -1 1 309.355 0.790 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)CN1CCOCC1 ZINC001592502791 1167541420 /nfs/dbraw/zinc/54/14/20/1167541420.db2.gz XJEAGEWXCLHHDY-VIFPVBQESA-N -1 1 321.337 0.646 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)CN1CCOCC1 ZINC001592502791 1167541427 /nfs/dbraw/zinc/54/14/27/1167541427.db2.gz XJEAGEWXCLHHDY-VIFPVBQESA-N -1 1 321.337 0.646 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H](O)c1ccco1 ZINC001592502998 1167542293 /nfs/dbraw/zinc/54/22/93/1167542293.db2.gz QHPBDENVCDEKQO-VIFPVBQESA-N -1 1 303.278 0.825 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H](O)c1ccco1 ZINC001592502998 1167542301 /nfs/dbraw/zinc/54/23/01/1167542301.db2.gz QHPBDENVCDEKQO-VIFPVBQESA-N -1 1 303.278 0.825 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H]3COC[C@]3(C)C2)c1-c1nnn[n-]1 ZINC001592515382 1167543017 /nfs/dbraw/zinc/54/30/17/1167543017.db2.gz DVPPGQKNEZJCDA-OTYXRUKQSA-N -1 1 318.337 0.201 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H]3COC[C@]3(C)C2)c1-c1nn[n-]n1 ZINC001592515382 1167543026 /nfs/dbraw/zinc/54/30/26/1167543026.db2.gz DVPPGQKNEZJCDA-OTYXRUKQSA-N -1 1 318.337 0.201 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1nc(N(C)C)no1 ZINC001592503773 1167544254 /nfs/dbraw/zinc/54/42/54/1167544254.db2.gz MBFHYKQFIVPQFL-UHFFFAOYSA-N -1 1 319.281 0.574 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1nc(N(C)C)no1 ZINC001592503773 1167544257 /nfs/dbraw/zinc/54/42/57/1167544257.db2.gz MBFHYKQFIVPQFL-UHFFFAOYSA-N -1 1 319.281 0.574 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCc1ccnn1C ZINC001592503310 1167544674 /nfs/dbraw/zinc/54/46/74/1167544674.db2.gz FHSFEEAAHMDMSP-UHFFFAOYSA-N -1 1 302.294 0.901 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCc1ccnn1C ZINC001592503310 1167544680 /nfs/dbraw/zinc/54/46/80/1167544680.db2.gz FHSFEEAAHMDMSP-UHFFFAOYSA-N -1 1 302.294 0.901 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2C[C@@H](O)C23CCC3)c1-c1nnn[n-]1 ZINC001592517588 1167546887 /nfs/dbraw/zinc/54/68/87/1167546887.db2.gz NAHSNRBLPOHWGN-VHSXEESVSA-N -1 1 318.337 0.125 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2C[C@@H](O)C23CCC3)c1-c1nn[n-]n1 ZINC001592517588 1167546892 /nfs/dbraw/zinc/54/68/92/1167546892.db2.gz NAHSNRBLPOHWGN-VHSXEESVSA-N -1 1 318.337 0.125 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CSC2(C)C)c1-c1nnn[n-]1 ZINC001592517787 1167547930 /nfs/dbraw/zinc/54/79/30/1167547930.db2.gz QISJKPYEWCCDJZ-QMMMGPOBSA-N -1 1 308.367 0.716 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CSC2(C)C)c1-c1nn[n-]n1 ZINC001592517787 1167547938 /nfs/dbraw/zinc/54/79/38/1167547938.db2.gz QISJKPYEWCCDJZ-QMMMGPOBSA-N -1 1 308.367 0.716 20 0 DCADMM Clc1nc(N2CCC3(C2)OCCO3)sc1-c1nnn[n-]1 ZINC001592540886 1167550737 /nfs/dbraw/zinc/55/07/37/1167550737.db2.gz QRFMURWVITURNQ-UHFFFAOYSA-N -1 1 314.758 0.930 20 0 DCADMM Clc1nc(N2CCC3(C2)OCCO3)sc1-c1nn[n-]n1 ZINC001592540886 1167550740 /nfs/dbraw/zinc/55/07/40/1167550740.db2.gz QRFMURWVITURNQ-UHFFFAOYSA-N -1 1 314.758 0.930 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592556683 1167557718 /nfs/dbraw/zinc/55/77/18/1167557718.db2.gz CAYOHXSGYIRWNC-JTQLQIEISA-N -1 1 324.348 0.267 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(SC2CCCC2)n(C)c1=O ZINC001592556799 1167557858 /nfs/dbraw/zinc/55/78/58/1167557858.db2.gz MSGXKNOKRVKYBT-UHFFFAOYSA-N -1 1 308.367 0.299 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cn2cc(Cl)cn2)n1 ZINC001592558599 1167558386 /nfs/dbraw/zinc/55/83/86/1167558386.db2.gz AKIHFHUMYPIAIV-UHFFFAOYSA-N -1 1 307.705 0.089 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cn2cc(Cl)cn2)n1 ZINC001592558599 1167558394 /nfs/dbraw/zinc/55/83/94/1167558394.db2.gz AKIHFHUMYPIAIV-UHFFFAOYSA-N -1 1 307.705 0.089 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCCc2ccccn2)n1 ZINC001592558600 1167559015 /nfs/dbraw/zinc/55/90/15/1167559015.db2.gz AMLUHWRJNHJFMZ-UHFFFAOYSA-N -1 1 312.337 0.957 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCCc2ccccn2)n1 ZINC001592558600 1167559022 /nfs/dbraw/zinc/55/90/22/1167559022.db2.gz AMLUHWRJNHJFMZ-UHFFFAOYSA-N -1 1 312.337 0.957 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](CO)C2CCCC2)n1 ZINC001592559440 1167561072 /nfs/dbraw/zinc/56/10/72/1167561072.db2.gz QJHFPJDIFHGWFM-JTQLQIEISA-N -1 1 320.357 0.273 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](CO)C2CCCC2)n1 ZINC001592559440 1167561077 /nfs/dbraw/zinc/56/10/77/1167561077.db2.gz QJHFPJDIFHGWFM-JTQLQIEISA-N -1 1 320.357 0.273 20 0 DCADMM Cn1cnc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001592587274 1167571261 /nfs/dbraw/zinc/57/12/61/1167571261.db2.gz LGBDCVOVFXHEKK-UHFFFAOYSA-N -1 1 311.718 0.357 20 0 DCADMM Cn1cncc1CCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592590634 1167572408 /nfs/dbraw/zinc/57/24/08/1167572408.db2.gz XCZJZXQKPMYTGF-UHFFFAOYSA-N -1 1 312.337 0.244 20 0 DCADMM Cn1nccc1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592603856 1167580790 /nfs/dbraw/zinc/58/07/90/1167580790.db2.gz BCSNZPUKSVPLDU-UHFFFAOYSA-N -1 1 310.730 0.962 20 0 DCADMM Cn1nnc2cc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)cnc21 ZINC001592610376 1167585248 /nfs/dbraw/zinc/58/52/48/1167585248.db2.gz KLVFPFPZEIXBQX-UHFFFAOYSA-N -1 1 322.292 0.191 20 0 DCADMM Cn1nnc2cc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)cnc21 ZINC001592610376 1167585255 /nfs/dbraw/zinc/58/52/55/1167585255.db2.gz KLVFPFPZEIXBQX-UHFFFAOYSA-N -1 1 322.292 0.191 20 0 DCADMM Fc1ccc2c(c1)OC[C@@H](Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001592655505 1167591519 /nfs/dbraw/zinc/59/15/19/1167591519.db2.gz WSJGWLMUGZTINN-JTQLQIEISA-N -1 1 313.296 0.633 20 0 DCADMM NC(=O)[C@@H](F)C1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001592715168 1167609372 /nfs/dbraw/zinc/60/93/72/1167609372.db2.gz IBGSRRDLCKDQKH-NSHDSACASA-N -1 1 305.317 0.302 20 0 DCADMM NC(=O)[C@@H](F)C1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001592715168 1167609374 /nfs/dbraw/zinc/60/93/74/1167609374.db2.gz IBGSRRDLCKDQKH-NSHDSACASA-N -1 1 305.317 0.302 20 0 DCADMM NC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001592729803 1167617715 /nfs/dbraw/zinc/61/77/15/1167617715.db2.gz PXASGLYQDULPNV-SSDOTTSWSA-N -1 1 321.366 0.059 20 0 DCADMM NC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001592729803 1167617721 /nfs/dbraw/zinc/61/77/21/1167617721.db2.gz PXASGLYQDULPNV-SSDOTTSWSA-N -1 1 321.366 0.059 20 0 DCADMM NC(=O)NCCCCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592731639 1167618899 /nfs/dbraw/zinc/61/88/99/1167618899.db2.gz KJTLMLZOEBWYHT-UHFFFAOYSA-N -1 1 323.382 0.383 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccnc(-c2ccco2)c1 ZINC001592753382 1167632013 /nfs/dbraw/zinc/63/20/13/1167632013.db2.gz XCEOGULMVHZRRY-UHFFFAOYSA-N -1 1 322.288 0.989 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)COc1ccc(F)c(F)c1 ZINC001592753584 1167632188 /nfs/dbraw/zinc/63/21/88/1167632188.db2.gz WXVIHIHIGJTGGP-UHFFFAOYSA-N -1 1 321.247 0.643 20 0 DCADMM Nc1ccnc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)n1 ZINC001592760503 1167635184 /nfs/dbraw/zinc/63/51/84/1167635184.db2.gz LHYXBLPNMWMOGS-UHFFFAOYSA-N -1 1 308.265 0.181 20 0 DCADMM Nc1ccnc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)n1 ZINC001592760503 1167635190 /nfs/dbraw/zinc/63/51/90/1167635190.db2.gz LHYXBLPNMWMOGS-UHFFFAOYSA-N -1 1 308.265 0.181 20 0 DCADMM Nc1cccnc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592760562 1167636532 /nfs/dbraw/zinc/63/65/32/1167636532.db2.gz NIIWILBDGZYNHJ-UHFFFAOYSA-N -1 1 311.309 0.697 20 0 DCADMM O=C(C(F)F)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001592770486 1167639883 /nfs/dbraw/zinc/63/98/83/1167639883.db2.gz LARIGXIKOLSFFQ-UHFFFAOYSA-N -1 1 309.280 0.175 20 0 DCADMM O=C(C(F)F)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001592770486 1167639884 /nfs/dbraw/zinc/63/98/84/1167639884.db2.gz LARIGXIKOLSFFQ-UHFFFAOYSA-N -1 1 309.280 0.175 20 0 DCADMM O=C(C=Cc1ccccc1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592794060 1167642384 /nfs/dbraw/zinc/64/23/84/1167642384.db2.gz JAAGEISFSNQNKS-VOTSOKGWSA-N -1 1 310.321 0.288 20 0 DCADMM O=C(C=C1CCCCC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592789887 1167643133 /nfs/dbraw/zinc/64/31/33/1167643133.db2.gz AXVBZSDZTAMFIO-UHFFFAOYSA-N -1 1 302.342 0.465 20 0 DCADMM O=C(CC1OCCCO1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592827331 1167646895 /nfs/dbraw/zinc/64/68/95/1167646895.db2.gz VOGRGNXCMMARPP-UHFFFAOYSA-N -1 1 305.294 0.458 20 0 DCADMM O=C(CC1OCCCO1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592827331 1167646899 /nfs/dbraw/zinc/64/68/99/1167646899.db2.gz VOGRGNXCMMARPP-UHFFFAOYSA-N -1 1 305.294 0.458 20 0 DCADMM O=C(C[C@H]1CSCCS1)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001592827725 1167647195 /nfs/dbraw/zinc/64/71/95/1167647195.db2.gz DRHOUGGOYXGTOA-LURJTMIESA-N -1 1 311.396 0.767 20 0 DCADMM O=C(C[C@H]1CSCCS1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592827725 1167647200 /nfs/dbraw/zinc/64/72/00/1167647200.db2.gz DRHOUGGOYXGTOA-LURJTMIESA-N -1 1 311.396 0.767 20 0 DCADMM O=C(CSc1nncs1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592906272 1167661886 /nfs/dbraw/zinc/66/18/86/1167661886.db2.gz HNWSHOOJISNYCT-UHFFFAOYSA-N -1 1 309.340 0.172 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)c1cnn(-c2ccccc2)c1 ZINC001592937265 1167667169 /nfs/dbraw/zinc/66/71/69/1167667169.db2.gz YCQGPADBAIHSCX-UHFFFAOYSA-N -1 1 321.304 0.527 20 0 DCADMM O=C(Cc1noc2ccccc12)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592934562 1167668115 /nfs/dbraw/zinc/66/81/15/1167668115.db2.gz ISTPLGNMCNJSNL-UHFFFAOYSA-N -1 1 310.277 0.912 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)C1(c2ccccc2)CC1 ZINC001592941164 1167669159 /nfs/dbraw/zinc/66/91/59/1167669159.db2.gz FPCAAYBUAZTXGA-UHFFFAOYSA-N -1 1 322.328 0.724 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)c1c[nH]c2ccccc12 ZINC001592941062 1167669950 /nfs/dbraw/zinc/66/99/50/1167669950.db2.gz BFJDYERAYSQOPM-UHFFFAOYSA-N -1 1 321.300 0.788 20 0 DCADMM O=C(N[C@@H](CO)[C@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001592954270 1167674042 /nfs/dbraw/zinc/67/40/42/1167674042.db2.gz XVBHNOZEDDRNRH-CBAPKCEASA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@H]1CCCC12OCCO2)c1csc(-c2nn[n-]n2)c1 ZINC001592977363 1167678507 /nfs/dbraw/zinc/67/85/07/1167678507.db2.gz KVLOYRDGQSAETQ-JTQLQIEISA-N -1 1 321.362 0.954 20 0 DCADMM O=C(NC[C@H](O)[C@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001593012382 1167686518 /nfs/dbraw/zinc/68/65/18/1167686518.db2.gz BIYNKHXVZQUGID-DTWKUNHWSA-N -1 1 309.351 0.198 20 0 DCADMM O=C(NC[C@H](CO)[C@@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001593006534 1167686820 /nfs/dbraw/zinc/68/68/20/1167686820.db2.gz LOQKOBYODKYGCU-RKDXNWHRSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@H](CO)[C@@H]1CCOC1)c1ccsc1-c1nn[n-]n1 ZINC001593006534 1167686823 /nfs/dbraw/zinc/68/68/23/1167686823.db2.gz LOQKOBYODKYGCU-RKDXNWHRSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@@H](O)c1ccncc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593013938 1167688119 /nfs/dbraw/zinc/68/81/19/1167688119.db2.gz PWYZFAWXUCPZGS-SECBINFHSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@@H](O)c1ccncc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593013938 1167688121 /nfs/dbraw/zinc/68/81/21/1167688121.db2.gz PWYZFAWXUCPZGS-SECBINFHSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NCC1CCC(O)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593029459 1167690909 /nfs/dbraw/zinc/69/09/09/1167690909.db2.gz KTDRLEXTIAPPJK-UHFFFAOYSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NCC1CCC(O)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593029459 1167690913 /nfs/dbraw/zinc/69/09/13/1167690913.db2.gz KTDRLEXTIAPPJK-UHFFFAOYSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001593112967 1167713388 /nfs/dbraw/zinc/71/33/88/1167713388.db2.gz VEHBDEGITNPYBS-UHFFFAOYSA-N -1 1 318.728 0.542 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ncc[nH]1 ZINC001593122535 1167714328 /nfs/dbraw/zinc/71/43/28/1167714328.db2.gz KJZPAVHTYMUART-UHFFFAOYSA-N -1 1 305.248 0.798 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ncc[nH]1 ZINC001593122535 1167714334 /nfs/dbraw/zinc/71/43/34/1167714334.db2.gz KJZPAVHTYMUART-UHFFFAOYSA-N -1 1 305.248 0.798 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593154447 1167730164 /nfs/dbraw/zinc/73/01/64/1167730164.db2.gz NBWKWWCJFQDBIG-UHFFFAOYSA-N -1 1 300.282 0.316 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593154447 1167730172 /nfs/dbraw/zinc/73/01/72/1167730172.db2.gz NBWKWWCJFQDBIG-UHFFFAOYSA-N -1 1 300.282 0.316 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1OCCc2ccccc21 ZINC001593261028 1167745686 /nfs/dbraw/zinc/74/56/86/1167745686.db2.gz QESOURVHNYHPPP-GFCCVEGCSA-N -1 1 311.305 0.842 20 0 DCADMM O=C(Nc1ccnnc1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593257366 1167746118 /nfs/dbraw/zinc/74/61/18/1167746118.db2.gz ZBMOUYOANOGOHM-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CC[C@H]1CO ZINC001593263217 1167750135 /nfs/dbraw/zinc/75/01/35/1167750135.db2.gz IIPHWDBFJFLCRS-BYPYZUCNSA-N -1 1 315.746 0.575 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@H]2O1)c1sccc1-c1nn[n-]n1 ZINC001593285274 1167758740 /nfs/dbraw/zinc/75/87/40/1167758740.db2.gz ROAGCINTBUDFMX-OYNCUSHFSA-N -1 1 322.346 0.889 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@@H]2O1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593285890 1167760919 /nfs/dbraw/zinc/76/09/19/1167760919.db2.gz ZJWRTTVAWHMZNG-NHCYSSNCSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@@H]2O1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593285890 1167760923 /nfs/dbraw/zinc/76/09/23/1167760923.db2.gz ZJWRTTVAWHMZNG-NHCYSSNCSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OCCOc1cccnc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593291086 1167764052 /nfs/dbraw/zinc/76/40/52/1167764052.db2.gz VZIKOZIBHOQEDJ-UHFFFAOYSA-N -1 1 312.289 0.893 20 0 DCADMM O=C(OCCOc1cccnc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593291086 1167764057 /nfs/dbraw/zinc/76/40/57/1167764057.db2.gz VZIKOZIBHOQEDJ-UHFFFAOYSA-N -1 1 312.289 0.893 20 0 DCADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1(O)CCSCC1 ZINC001593298120 1167764162 /nfs/dbraw/zinc/76/41/62/1167764162.db2.gz WYIOCUYXDUJBFU-UHFFFAOYSA-N -1 1 310.335 0.761 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1(O)CCSCC1 ZINC001593298120 1167764165 /nfs/dbraw/zinc/76/41/65/1167764165.db2.gz WYIOCUYXDUJBFU-UHFFFAOYSA-N -1 1 310.335 0.761 20 0 DCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1(F)CCOCC1 ZINC001593301113 1167764610 /nfs/dbraw/zinc/76/46/10/1167764610.db2.gz BSFWVTOPSWKPPU-UHFFFAOYSA-N -1 1 307.285 0.824 20 0 DCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1(F)CCOCC1 ZINC001593301113 1167764616 /nfs/dbraw/zinc/76/46/16/1167764616.db2.gz BSFWVTOPSWKPPU-UHFFFAOYSA-N -1 1 307.285 0.824 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC2(CC1)COCCO2 ZINC001593341301 1167783379 /nfs/dbraw/zinc/78/33/79/1167783379.db2.gz SMMURPGFGBOBGQ-UHFFFAOYSA-N -1 1 319.321 0.481 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC2(CC1)COCCO2 ZINC001593341301 1167783386 /nfs/dbraw/zinc/78/33/86/1167783386.db2.gz SMMURPGFGBOBGQ-UHFFFAOYSA-N -1 1 319.321 0.481 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCOc2ccncc21 ZINC001593348840 1167784610 /nfs/dbraw/zinc/78/46/10/1167784610.db2.gz RLWGCBSLHWDKQN-UHFFFAOYSA-N -1 1 309.289 0.696 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCOc2ccncc21 ZINC001593348840 1167784615 /nfs/dbraw/zinc/78/46/15/1167784615.db2.gz RLWGCBSLHWDKQN-UHFFFAOYSA-N -1 1 309.289 0.696 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCO[C@H](CCF)C1 ZINC001593348671 1167786062 /nfs/dbraw/zinc/78/60/62/1167786062.db2.gz KMWMSPKEGPKVGJ-SECBINFHSA-N -1 1 306.301 0.462 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCO[C@H](CCF)C1 ZINC001593348671 1167786069 /nfs/dbraw/zinc/78/60/69/1167786069.db2.gz KMWMSPKEGPKVGJ-SECBINFHSA-N -1 1 306.301 0.462 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001593369969 1167787431 /nfs/dbraw/zinc/78/74/31/1167787431.db2.gz VJASKTCWSWIFTO-GXSJLCMTSA-N -1 1 305.294 0.090 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001593369969 1167787439 /nfs/dbraw/zinc/78/74/39/1167787439.db2.gz VJASKTCWSWIFTO-GXSJLCMTSA-N -1 1 305.294 0.090 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CC(=O)c2ccccc21 ZINC001593383267 1167795443 /nfs/dbraw/zinc/79/54/43/1167795443.db2.gz QSMVWGRSJAYOMQ-SECBINFHSA-N -1 1 309.289 0.899 20 0 DCADMM O=C1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C(=O)N1 ZINC001593391598 1167803879 /nfs/dbraw/zinc/80/38/79/1167803879.db2.gz ZHKAATUIKPKYNO-GSVOUGTGSA-N -1 1 313.730 0.194 20 0 DCADMM O=C1CCN(c2ccnc(-c3nnn[n-]3)c2)CCCCCN1 ZINC001593394700 1167806265 /nfs/dbraw/zinc/80/62/65/1167806265.db2.gz WIWCADMLHCXQST-UHFFFAOYSA-N -1 1 301.354 0.758 20 0 DCADMM O=C1CCN(c2ccnc(-c3nn[n-]n3)c2)CCCCCN1 ZINC001593394700 1167806278 /nfs/dbraw/zinc/80/62/78/1167806278.db2.gz WIWCADMLHCXQST-UHFFFAOYSA-N -1 1 301.354 0.758 20 0 DCADMM O=C1CCCCN1CCCNc1ncncc1-c1nn[n-]n1 ZINC001593393592 1167807892 /nfs/dbraw/zinc/80/78/92/1167807892.db2.gz PZZNGDJBCOPIPU-UHFFFAOYSA-N -1 1 302.342 0.471 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)o1)N1Cc2ccncc2C1 ZINC001593453811 1167847424 /nfs/dbraw/zinc/84/74/24/1167847424.db2.gz CFAWCMCQFYAQLC-UHFFFAOYSA-N -1 1 318.318 0.559 20 0 DCADMM O=S1(=O)CCC[C@H](Sc2cncc(-c3nnn[n-]3)n2)C1 ZINC001593462675 1167851014 /nfs/dbraw/zinc/85/10/14/1167851014.db2.gz CWKHTVFRXBTEQL-ZETCQYMHSA-N -1 1 312.380 0.326 20 0 DCADMM O=S1(=O)CCC[C@H](Sc2cncc(-c3nn[n-]n3)n2)C1 ZINC001593462675 1167851020 /nfs/dbraw/zinc/85/10/20/1167851020.db2.gz CWKHTVFRXBTEQL-ZETCQYMHSA-N -1 1 312.380 0.326 20 0 DCADMM O=S1(=O)CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001593462900 1167851820 /nfs/dbraw/zinc/85/18/20/1167851820.db2.gz IJKZXQAEHAELCC-MRVPVSSYSA-N -1 1 309.355 0.036 20 0 DCADMM O=S1(=O)CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001593462900 1167851833 /nfs/dbraw/zinc/85/18/33/1167851833.db2.gz IJKZXQAEHAELCC-MRVPVSSYSA-N -1 1 309.355 0.036 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccc(Cl)nc1 ZINC001593489676 1167873907 /nfs/dbraw/zinc/87/39/07/1167873907.db2.gz VKNZJEJKGAYKKB-UHFFFAOYSA-N -1 1 305.685 0.226 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CN1CCC(F)(F)C1)CCC2 ZINC001593491934 1167874941 /nfs/dbraw/zinc/87/49/41/1167874941.db2.gz CTPRQZBEVMNFNB-UHFFFAOYSA-N -1 1 322.319 0.816 20 0 DCADMM O=c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)n[nH]1 ZINC001593496095 1167879998 /nfs/dbraw/zinc/87/99/98/1167879998.db2.gz ATTNEKCFLRNVKA-UHFFFAOYSA-N -1 1 321.304 0.918 20 0 DCADMM O=c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)n[nH]1 ZINC001593496095 1167880003 /nfs/dbraw/zinc/88/00/03/1167880003.db2.gz ATTNEKCFLRNVKA-UHFFFAOYSA-N -1 1 321.304 0.918 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1ncnn1-c1ccccc1 ZINC001593494862 1167880801 /nfs/dbraw/zinc/88/08/01/1167880801.db2.gz ZCMOJPMYOLXNCZ-UHFFFAOYSA-N -1 1 320.316 0.657 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@@H]1CC2(CO1)CCOCC2 ZINC001593496493 1167881382 /nfs/dbraw/zinc/88/13/82/1167881382.db2.gz LZXUXYDECCVTQM-LBPRGKRZSA-N -1 1 317.349 0.614 20 0 DCADMM O[C@H](COc1ccc(F)nc1-c1nn[n-]n1)C1(O)CCCC1 ZINC001593507709 1167886244 /nfs/dbraw/zinc/88/62/44/1167886244.db2.gz JRJPQFODHSQOSM-SECBINFHSA-N -1 1 309.301 0.446 20 0 DCADMM O[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@@H]1F ZINC001593518522 1167891059 /nfs/dbraw/zinc/89/10/59/1167891059.db2.gz ASXOANIXCDTCAB-ONGXEEELSA-N -1 1 315.312 0.719 20 0 DCADMM O[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@@H]1F ZINC001593518522 1167891070 /nfs/dbraw/zinc/89/10/70/1167891070.db2.gz ASXOANIXCDTCAB-ONGXEEELSA-N -1 1 315.312 0.719 20 0 DCADMM OC[C@@H](Cc1ccc(F)cc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593521518 1167895671 /nfs/dbraw/zinc/89/56/71/1167895671.db2.gz VSCRWLLLWKHWQL-CYBMUJFWSA-N -1 1 314.324 0.838 20 0 DCADMM OC[C@@H](Cc1ccc(F)cc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593521518 1167895678 /nfs/dbraw/zinc/89/56/78/1167895678.db2.gz VSCRWLLLWKHWQL-CYBMUJFWSA-N -1 1 314.324 0.838 20 0 DCADMM OC[C@H](CNc1ncncc1-c1nn[n-]n1)Cc1ccoc1 ZINC001593522935 1167898912 /nfs/dbraw/zinc/89/89/12/1167898912.db2.gz HZKHNXXAGROUDF-JTQLQIEISA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)Cc1cccnc1 ZINC001593524760 1167900305 /nfs/dbraw/zinc/90/03/05/1167900305.db2.gz RSMYMAGLZDNEEU-LLVKDONJSA-N -1 1 312.337 0.315 20 0 DCADMM OC[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)Cc1cccnc1 ZINC001593524760 1167900320 /nfs/dbraw/zinc/90/03/20/1167900320.db2.gz RSMYMAGLZDNEEU-LLVKDONJSA-N -1 1 312.337 0.315 20 0 DCADMM OC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ncc[nH]1 ZINC001593525707 1167900854 /nfs/dbraw/zinc/90/08/54/1167900854.db2.gz GIIDHQXVRUCMEK-SCSAIBSYSA-N -1 1 312.746 0.845 20 0 DCADMM OC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ncc[nH]1 ZINC001593525707 1167900861 /nfs/dbraw/zinc/90/08/61/1167900861.db2.gz GIIDHQXVRUCMEK-SCSAIBSYSA-N -1 1 312.746 0.845 20 0 DCADMM OC[C@]1(F)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001593525026 1167901697 /nfs/dbraw/zinc/90/16/97/1167901697.db2.gz JNVZUXABMHOQFI-VIFPVBQESA-N -1 1 304.738 0.887 20 0 DCADMM OC[C@]1(F)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001593525026 1167901699 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ZINC001593536257 1167917495 /nfs/dbraw/zinc/91/74/95/1167917495.db2.gz GBRNDBATVNTJJX-PSASIEDQSA-N -1 1 303.326 0.096 20 0 DCADMM c1cc(CN2CCO[C@H]([C@@H]3CCCO3)C2)nc(-c2nn[n-]n2)c1 ZINC001593555081 1167929972 /nfs/dbraw/zinc/92/99/72/1167929972.db2.gz HEDSDISFGCNGCP-KBPBESRZSA-N -1 1 316.365 0.642 20 0 DCADMM c1ccc2c(c1)OC[C@H](CNc1ccnc(-c3nnn[n-]3)c1)O2 ZINC001593579941 1167949170 /nfs/dbraw/zinc/94/91/70/1167949170.db2.gz PWPVBGHOMUPILT-NSHDSACASA-N -1 1 310.317 0.936 20 0 DCADMM c1ccc2c(c1)OC[C@H](CNc1ccnc(-c3nn[n-]n3)c1)O2 ZINC001593579941 1167949176 /nfs/dbraw/zinc/94/91/76/1167949176.db2.gz PWPVBGHOMUPILT-NSHDSACASA-N -1 1 310.317 0.936 20 0 DCADMM c1cnc(N2CCN(Cc3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001593584047 1167949380 /nfs/dbraw/zinc/94/93/80/1167949380.db2.gz SZGFRBMRLXQZKH-UHFFFAOYSA-N -1 1 323.364 0.374 20 0 DCADMM COC[C@@H](NC(=O)c1cccc2nsnc21)c1nn[n-]n1 ZINC001595889522 1167981830 /nfs/dbraw/zinc/98/18/30/1167981830.db2.gz RAASXIJUMPWONO-MRVPVSSYSA-N -1 1 305.323 0.322 20 0 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305.342 0.514 20 0 DCADMM Cn1c(CNc2cnc(-c3nnn[n-]3)cn2)nnc1C1CCC1 ZINC001606217639 1170118433 /nfs/dbraw/zinc/11/84/33/1170118433.db2.gz NLMOVFMSQJSBLK-UHFFFAOYSA-N -1 1 312.341 0.665 20 0 DCADMM Cn1c(CNc2cnc(-c3nn[n-]n3)cn2)nnc1C1CCC1 ZINC001606217639 1170118440 /nfs/dbraw/zinc/11/84/40/1170118440.db2.gz NLMOVFMSQJSBLK-UHFFFAOYSA-N -1 1 312.341 0.665 20 0 DCADMM CN1CCN(C(=O)c2ccc3cnccc3n2)C[C@H](C(=O)[O-])C1 ZINC001606235208 1170129357 /nfs/dbraw/zinc/12/93/57/1170129357.db2.gz DJTRKLQPAMJGEO-GFCCVEGCSA-N -1 1 314.345 0.718 20 0 DCADMM CN1CCN(CCNC(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001606242334 1170133873 /nfs/dbraw/zinc/13/38/73/1170133873.db2.gz CVHCCAWVVOGGRE-HWKANZROSA-N -1 1 307.350 0.355 20 0 DCADMM Cn1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1=O ZINC001606250857 1170136828 /nfs/dbraw/zinc/13/68/28/1170136828.db2.gz ZSMUSJMJKHUIRP-UHFFFAOYSA-N -1 1 317.330 0.984 20 0 DCADMM CN1Cc2ccccc2[C@@H]1CNCc1cn(CC(=O)[O-])nn1 ZINC001606258557 1170138093 /nfs/dbraw/zinc/13/80/93/1170138093.db2.gz DIASZUZHADGRPP-AWEZNQCLSA-N -1 1 301.350 0.639 20 0 DCADMM CNC(=O)Cc1noc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1 ZINC001606277977 1170145838 /nfs/dbraw/zinc/14/58/38/1170145838.db2.gz WPDCQUXAVVRPHW-SNVBAGLBSA-N -1 1 324.381 0.681 20 0 DCADMM CNC(=O)Cc1noc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1 ZINC001606277977 1170145840 /nfs/dbraw/zinc/14/58/40/1170145840.db2.gz WPDCQUXAVVRPHW-SNVBAGLBSA-N -1 1 324.381 0.681 20 0 DCADMM NC(=O)C1(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CC1 ZINC001606404538 1170186667 /nfs/dbraw/zinc/18/66/67/1170186667.db2.gz OGJMFGNXZDMPOO-UHFFFAOYSA-N -1 1 311.305 0.096 20 0 DCADMM COC(=O)[C@H]1CCN(Cc2cnc3n2CCC3)[C@H](C(=O)[O-])C1 ZINC001606413757 1170190978 /nfs/dbraw/zinc/19/09/78/1170190978.db2.gz HJKUJYOMPJQEIA-JQWIXIFHSA-N -1 1 307.350 0.668 20 0 DCADMM COC(=O)[C@H]1CN(Cc2c(C)nn(C)c2Cl)C[C@@H]1C(=O)[O-] ZINC001606428120 1170197366 /nfs/dbraw/zinc/19/73/66/1170197366.db2.gz BJKMKPUKOMHMAY-UWVGGRQHSA-N -1 1 315.757 0.688 20 0 DCADMM COC(=O)CCN1CCN(c2ccnc(C(=O)[O-])n2)[C@H](C)C1 ZINC001606455750 1170211468 /nfs/dbraw/zinc/21/14/68/1170211468.db2.gz XZODAEKWWVVFNU-SNVBAGLBSA-N -1 1 308.338 0.248 20 0 DCADMM COC(=O)c1cc(CN2C[C@H](O)C[C@H]2CO)cc(C(=O)[O-])c1 ZINC001606542705 1170232809 /nfs/dbraw/zinc/23/28/09/1170232809.db2.gz KLIYAHIWPJDVJZ-QWHCGFSZSA-N -1 1 309.318 0.099 20 0 DCADMM O=C(Cc1noc(-c2coc(-c3nnn[n-]3)c2)n1)N1CCCC1 ZINC001606614544 1170243137 /nfs/dbraw/zinc/24/31/37/1170243137.db2.gz HNKJVELEMMLXAA-UHFFFAOYSA-N -1 1 315.293 0.675 20 0 DCADMM O=C(Cc1noc(-c2coc(-c3nn[n-]n3)c2)n1)N1CCCC1 ZINC001606614544 1170243144 /nfs/dbraw/zinc/24/31/44/1170243144.db2.gz HNKJVELEMMLXAA-UHFFFAOYSA-N -1 1 315.293 0.675 20 0 DCADMM O=C(N[C@H]1CCC[C@@H](CO)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606662120 1170256445 /nfs/dbraw/zinc/25/64/45/1170256445.db2.gz HHZPKXPYBYHKCM-ZJUUUORDSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CCC[C@@H](CO)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606662120 1170256448 /nfs/dbraw/zinc/25/64/48/1170256448.db2.gz HHZPKXPYBYHKCM-ZJUUUORDSA-N -1 1 302.338 0.543 20 0 DCADMM CO[C@@H](CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C1CC1 ZINC001606676879 1170259619 /nfs/dbraw/zinc/25/96/19/1170259619.db2.gz UYPVCWJVCXYWNX-YPMHNXCESA-N -1 1 313.398 0.602 20 0 DCADMM O=C(NC1COC1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001606689249 1170262437 /nfs/dbraw/zinc/26/24/37/1170262437.db2.gz QVKVJZZNAHXUNQ-UHFFFAOYSA-N -1 1 314.227 0.409 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(-c2nnn[n-]2)n1 ZINC001606696429 1170265022 /nfs/dbraw/zinc/26/50/22/1170265022.db2.gz OPSFKCLGVONFIC-UONOGXRCSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(-c2nn[n-]n2)n1 ZINC001606696429 1170265025 /nfs/dbraw/zinc/26/50/25/1170265025.db2.gz OPSFKCLGVONFIC-UONOGXRCSA-N -1 1 322.328 0.650 20 0 DCADMM CO[C@@H]1CN(C(=O)Cc2csc(CN)n2)[C@](C)(C(=O)[O-])C1 ZINC001606764535 1170282335 /nfs/dbraw/zinc/28/23/35/1170282335.db2.gz RTDAAOCJMWXFGH-ZANVPECISA-N -1 1 313.379 0.235 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001606787373 1170289715 /nfs/dbraw/zinc/28/97/15/1170289715.db2.gz ZYVGZSGYINAEGJ-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001606787373 1170289718 /nfs/dbraw/zinc/28/97/18/1170289718.db2.gz ZYVGZSGYINAEGJ-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM COC[C@H](C)NC(=S)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001606798404 1170293406 /nfs/dbraw/zinc/29/34/06/1170293406.db2.gz XESFLTQVQMWENX-WDEREUQCSA-N -1 1 303.428 0.377 20 0 DCADMM COC[C@@H](CO)NCc1oc(Br)cc1C(=O)[O-] ZINC001606805164 1170295736 /nfs/dbraw/zinc/29/57/36/1170295736.db2.gz WUKZPTHXKNFLOZ-ZCFIWIBFSA-N -1 1 308.128 0.837 20 0 DCADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001606812000 1170298091 /nfs/dbraw/zinc/29/80/91/1170298091.db2.gz FEOXWBOTSSOKCY-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001606812000 1170298096 /nfs/dbraw/zinc/29/80/96/1170298096.db2.gz FEOXWBOTSSOKCY-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM COC[C@@]1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CNCCO1 ZINC001606823418 1170302642 /nfs/dbraw/zinc/30/26/42/1170302642.db2.gz BXQFIGOAMJSRSP-CQSZACIVSA-N -1 1 312.297 0.467 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@@H]1CCCOC1 ZINC001606844339 1170311729 /nfs/dbraw/zinc/31/17/29/1170311729.db2.gz NLCOPMVCHZVRQR-QMMMGPOBSA-N -1 1 323.382 0.549 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@@H]1CCCOC1 ZINC001606844339 1170311737 /nfs/dbraw/zinc/31/17/37/1170311737.db2.gz NLCOPMVCHZVRQR-QMMMGPOBSA-N -1 1 323.382 0.549 20 0 DCADMM O=C(NCc1nc(-c2nn[nH]n2)cs1)c1ncccc1[O-] ZINC001606847003 1170312960 /nfs/dbraw/zinc/31/29/60/1170312960.db2.gz CAUJPOKEHYUYKC-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc(C(F)F)ncn1 ZINC001606893350 1170324244 /nfs/dbraw/zinc/32/42/44/1170324244.db2.gz MVXIDJICTYZHGX-UHFFFAOYSA-N -1 1 307.224 0.570 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc(C(F)F)ncn1 ZINC001606893350 1170324250 /nfs/dbraw/zinc/32/42/50/1170324250.db2.gz MVXIDJICTYZHGX-UHFFFAOYSA-N -1 1 307.224 0.570 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H](O)c1ccccn1 ZINC001606897394 1170325363 /nfs/dbraw/zinc/32/53/63/1170325363.db2.gz CSEMMGHPFRKCGV-LBPRGKRZSA-N -1 1 312.289 0.639 20 0 DCADMM O=C(Nc1cccc(-n2cnnn2)c1)c1coc(-c2nnn[n-]2)c1 ZINC001606934748 1170334708 /nfs/dbraw/zinc/33/47/08/1170334708.db2.gz KOWQJHZJJCIMIQ-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1cccc(-n2cnnn2)c1)c1coc(-c2nn[n-]n2)c1 ZINC001606934748 1170334713 /nfs/dbraw/zinc/33/47/13/1170334713.db2.gz KOWQJHZJJCIMIQ-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(O[C@H]1CC(=O)N(C2CC2)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606962789 1170340197 /nfs/dbraw/zinc/34/01/97/1170340197.db2.gz JZBOKHLLDFPLML-VIFPVBQESA-N -1 1 314.305 0.182 20 0 DCADMM O=C(O[C@H]1CC(=O)N(C2CC2)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606962789 1170340199 /nfs/dbraw/zinc/34/01/99/1170340199.db2.gz JZBOKHLLDFPLML-VIFPVBQESA-N -1 1 314.305 0.182 20 0 DCADMM O=C(COC(=O)c1cccc(F)c1-c1nnn[n-]1)N1CCCC1 ZINC001606965795 1170342278 /nfs/dbraw/zinc/34/22/78/1170342278.db2.gz VCHWHAOUSQNBJC-UHFFFAOYSA-N -1 1 319.296 0.785 20 0 DCADMM O=C(COC(=O)c1cccc(F)c1-c1nn[n-]n1)N1CCCC1 ZINC001606965795 1170342285 /nfs/dbraw/zinc/34/22/85/1170342285.db2.gz VCHWHAOUSQNBJC-UHFFFAOYSA-N -1 1 319.296 0.785 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@H]2O1)c1ccc(-c2nn[n-]n2)o1 ZINC001606965265 1170342558 /nfs/dbraw/zinc/34/25/58/1170342558.db2.gz MGTHRIZPXBXOFM-DKCNOQQISA-N -1 1 306.278 0.420 20 0 DCADMM O=C(OC[C@@H]1CCS(=O)(=O)C1)c1coc(-c2nnn[n-]2)c1 ZINC001606967583 1170343272 /nfs/dbraw/zinc/34/32/72/1170343272.db2.gz MEGHSBHDUCLHRL-ZETCQYMHSA-N -1 1 312.307 0.051 20 0 DCADMM O=C(OC[C@@H]1CCS(=O)(=O)C1)c1coc(-c2nn[n-]n2)c1 ZINC001606967583 1170343279 /nfs/dbraw/zinc/34/32/79/1170343279.db2.gz MEGHSBHDUCLHRL-ZETCQYMHSA-N -1 1 312.307 0.051 20 0 DCADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CC[C@H](CO)C1 ZINC001606994201 1170348192 /nfs/dbraw/zinc/34/81/92/1170348192.db2.gz UHQJCNKORLWVFR-VIFPVBQESA-N -1 1 312.333 0.802 20 0 DCADMM COc1c(C(=O)[O-])ncnc1N1CCC(c2nc[nH]n2)CC1 ZINC001607011493 1170353717 /nfs/dbraw/zinc/35/37/17/1170353717.db2.gz KKXURSUNNXACKI-UHFFFAOYSA-N -1 1 304.310 0.686 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC(CO)CC1 ZINC001607022468 1170358100 /nfs/dbraw/zinc/35/81/00/1170358100.db2.gz RLVSGLWUEJWIKG-UHFFFAOYSA-N -1 1 305.313 0.850 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC(CO)CC1 ZINC001607022468 1170358107 /nfs/dbraw/zinc/35/81/07/1170358107.db2.gz RLVSGLWUEJWIKG-UHFFFAOYSA-N -1 1 305.313 0.850 20 0 DCADMM O=S(=O)(N[C@H]1CCCOCC1)c1cccnc1-c1nn[n-]n1 ZINC001607060363 1170374343 /nfs/dbraw/zinc/37/43/43/1170374343.db2.gz RZDHFGGJTIKJIN-VIFPVBQESA-N -1 1 324.366 0.109 20 0 DCADMM O=c1[nH]cccc1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001607069016 1170378479 /nfs/dbraw/zinc/37/84/79/1170378479.db2.gz PJLIMPBNMWFMRC-UHFFFAOYSA-N -1 1 319.306 0.163 20 0 DCADMM O=c1[nH]cccc1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001607069016 1170378481 /nfs/dbraw/zinc/37/84/81/1170378481.db2.gz PJLIMPBNMWFMRC-UHFFFAOYSA-N -1 1 319.306 0.163 20 0 DCADMM O=c1ccccn1Cc1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001607090580 1170388637 /nfs/dbraw/zinc/38/86/37/1170388637.db2.gz NMQBNWCXKBOPPU-UHFFFAOYSA-N -1 1 322.288 0.522 20 0 DCADMM O=c1ccccn1Cc1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001607090580 1170388644 /nfs/dbraw/zinc/38/86/44/1170388644.db2.gz NMQBNWCXKBOPPU-UHFFFAOYSA-N -1 1 322.288 0.522 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001607091878 1170388916 /nfs/dbraw/zinc/38/89/16/1170388916.db2.gz LWYABNFPBSLVLC-XHDPSFHLSA-N -1 1 317.349 0.757 20 0 DCADMM O[C@@]1(C(F)F)CCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001607098352 1170391718 /nfs/dbraw/zinc/39/17/18/1170391718.db2.gz MNYXBVVTIJAPGI-JTQLQIEISA-N -1 1 302.310 0.525 20 0 DCADMM O[C@@]1(C(F)F)CCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001607098352 1170391725 /nfs/dbraw/zinc/39/17/25/1170391725.db2.gz 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C[C@@H]1CCC[C@H]1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001609164609 1170835502 /nfs/dbraw/zinc/83/55/02/1170835502.db2.gz UMNHXEZWNKVTLD-BDAKNGLRSA-N -1 1 319.369 0.112 20 0 DCADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCS(=O)(=O)C1 ZINC001609175399 1170843768 /nfs/dbraw/zinc/84/37/68/1170843768.db2.gz PNPJVBJNWVCGTE-VIFPVBQESA-N -1 1 308.367 0.133 20 0 DCADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCS(=O)(=O)C1 ZINC001609175399 1170843771 /nfs/dbraw/zinc/84/37/71/1170843771.db2.gz PNPJVBJNWVCGTE-VIFPVBQESA-N -1 1 308.367 0.133 20 0 DCADMM C[C@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@]2(CCCOC2)O1 ZINC001609176811 1170849100 /nfs/dbraw/zinc/84/91/00/1170849100.db2.gz GLDCHSOQGUBQMN-HZMBPMFUSA-N -1 1 317.353 0.431 20 0 DCADMM CC[C@@](NC(=O)c1cc(-c2nnn[n-]2)oc1C)(C(N)=O)C(C)C ZINC001609192252 1170861036 /nfs/dbraw/zinc/86/10/36/1170861036.db2.gz ANNUAKPGOBKECV-AWEZNQCLSA-N -1 1 320.353 0.788 20 0 DCADMM CC[C@@](NC(=O)c1cc(-c2nn[n-]n2)oc1C)(C(N)=O)C(C)C ZINC001609192252 1170861042 /nfs/dbraw/zinc/86/10/42/1170861042.db2.gz ANNUAKPGOBKECV-AWEZNQCLSA-N -1 1 320.353 0.788 20 0 DCADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@H](O)C(F)(F)F ZINC001609192313 1170861792 /nfs/dbraw/zinc/86/17/92/1170861792.db2.gz CDEXIFQYAQSCRG-XNCJUZBTSA-N -1 1 319.243 0.891 20 0 DCADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@H](O)C(F)(F)F ZINC001609192313 1170861802 /nfs/dbraw/zinc/86/18/02/1170861802.db2.gz CDEXIFQYAQSCRG-XNCJUZBTSA-N -1 1 319.243 0.891 20 0 DCADMM CCN(Cc1cn(C)nn1)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609225577 1170877317 /nfs/dbraw/zinc/87/73/17/1170877317.db2.gz OAQMOTPEKKFFQB-UHFFFAOYSA-N -1 1 300.330 0.120 20 0 DCADMM CCN(Cc1cn(C)nn1)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609225577 1170877323 /nfs/dbraw/zinc/87/73/23/1170877323.db2.gz OAQMOTPEKKFFQB-UHFFFAOYSA-N -1 1 300.330 0.120 20 0 DCADMM CCc1nn(CC(=O)C2CCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001609255579 1170900465 /nfs/dbraw/zinc/90/04/65/1170900465.db2.gz JSFXNQDBTYCMTM-UHFFFAOYSA-N -1 1 316.365 0.917 20 0 DCADMM CN(C)C(=O)OC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609264831 1170904016 /nfs/dbraw/zinc/90/40/16/1170904016.db2.gz FXCOHBIYBURELK-UHFFFAOYSA-N -1 1 317.353 0.929 20 0 DCADMM CN(C)C(=O)OC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001609264831 1170904017 /nfs/dbraw/zinc/90/40/17/1170904017.db2.gz FXCOHBIYBURELK-UHFFFAOYSA-N -1 1 317.353 0.929 20 0 DCADMM CN(C[C@@H](O)C1CC1)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609273079 1170904688 /nfs/dbraw/zinc/90/46/88/1170904688.db2.gz PNPNLEHBCCFDQQ-LLVKDONJSA-N -1 1 305.313 0.849 20 0 DCADMM CN(C[C@@H](O)C1CC1)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609273079 1170904691 /nfs/dbraw/zinc/90/46/91/1170904691.db2.gz PNPNLEHBCCFDQQ-LLVKDONJSA-N -1 1 305.313 0.849 20 0 DCADMM COC(=O)[C@@]1(C)CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609294647 1170916889 /nfs/dbraw/zinc/91/68/89/1170916889.db2.gz VSPLNNLHRYXQMO-ZDUSSCGKSA-N -1 1 303.326 0.436 20 0 DCADMM COC(=O)[C@@]1(C)CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609294647 1170916893 /nfs/dbraw/zinc/91/68/93/1170916893.db2.gz VSPLNNLHRYXQMO-ZDUSSCGKSA-N -1 1 303.326 0.436 20 0 DCADMM COC(=O)[C@H]1CSCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001609297130 1170920459 /nfs/dbraw/zinc/92/04/59/1170920459.db2.gz DMCGATGQLHTBON-SECBINFHSA-N -1 1 320.378 0.604 20 0 DCADMM COC(=O)[C@H]1CSCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001609297130 1170920464 /nfs/dbraw/zinc/92/04/64/1170920464.db2.gz DMCGATGQLHTBON-SECBINFHSA-N -1 1 320.378 0.604 20 0 DCADMM COC(=O)C[C@@H]1CN(c2cc(C)nc(-c3nnn[n-]3)c2)CCO1 ZINC001609298071 1170920922 /nfs/dbraw/zinc/92/09/22/1170920922.db2.gz GOGIHEZCIUXBIK-LLVKDONJSA-N -1 1 318.337 0.338 20 0 DCADMM COC(=O)C[C@@H]1CN(c2cc(C)nc(-c3nn[n-]n3)c2)CCO1 ZINC001609298071 1170920925 /nfs/dbraw/zinc/92/09/25/1170920925.db2.gz GOGIHEZCIUXBIK-LLVKDONJSA-N -1 1 318.337 0.338 20 0 DCADMM COC(=O)c1ccc(N(C)CC(C)(C)O)c(-c2nnn[n-]2)n1 ZINC001609303419 1170923844 /nfs/dbraw/zinc/92/38/44/1170923844.db2.gz STRCXMMCYPYQJD-UHFFFAOYSA-N -1 1 306.326 0.255 20 0 DCADMM COC(=O)c1ccc(N(C)CC(C)(C)O)c(-c2nn[n-]n2)n1 ZINC001609303419 1170923852 /nfs/dbraw/zinc/92/38/52/1170923852.db2.gz STRCXMMCYPYQJD-UHFFFAOYSA-N -1 1 306.326 0.255 20 0 DCADMM COC(=O)c1ccc(CNc2cnc(-c3nnn[n-]3)cn2)o1 ZINC001609303405 1170925652 /nfs/dbraw/zinc/92/56/52/1170925652.db2.gz SBLRCUCXRIBTSQ-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM COC(=O)c1ccc(CNc2cnc(-c3nn[n-]n3)cn2)o1 ZINC001609303405 1170925653 /nfs/dbraw/zinc/92/56/53/1170925653.db2.gz SBLRCUCXRIBTSQ-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM CO[C@H](C)c1noc(COc2cccnc2-c2nnn[n-]2)n1 ZINC001609308985 1170927879 /nfs/dbraw/zinc/92/78/79/1170927879.db2.gz ISISYIRXJIDETG-SSDOTTSWSA-N -1 1 303.282 0.931 20 0 DCADMM CO[C@H](C)c1noc(COc2cccnc2-c2nn[n-]n2)n1 ZINC001609308985 1170927883 /nfs/dbraw/zinc/92/78/83/1170927883.db2.gz ISISYIRXJIDETG-SSDOTTSWSA-N -1 1 303.282 0.931 20 0 DCADMM COCCn1cc(NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001609330433 1170941782 /nfs/dbraw/zinc/94/17/82/1170941782.db2.gz LDGDFKLWTBJBAR-UHFFFAOYSA-N -1 1 306.355 0.778 20 0 DCADMM COCCn1cc(NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001609330433 1170941786 /nfs/dbraw/zinc/94/17/86/1170941786.db2.gz LDGDFKLWTBJBAR-UHFFFAOYSA-N -1 1 306.355 0.778 20 0 DCADMM CSCCCN(C)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609371078 1170951390 /nfs/dbraw/zinc/95/13/90/1170951390.db2.gz PGEUIKRIKPIFOM-QMMMGPOBSA-N -1 1 310.387 0.231 20 0 DCADMM CS[C@H](C)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609369239 1170952435 /nfs/dbraw/zinc/95/24/35/1170952435.db2.gz RARWOXPKLADWJW-SSDOTTSWSA-N -1 1 321.366 0.068 20 0 DCADMM CS[C@H](C)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609369239 1170952442 /nfs/dbraw/zinc/95/24/42/1170952442.db2.gz RARWOXPKLADWJW-SSDOTTSWSA-N -1 1 321.366 0.068 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCC1(CS(C)(=O)=O)CC1 ZINC001609417037 1170972449 /nfs/dbraw/zinc/97/24/49/1170972449.db2.gz HTKKDNIFGTXKAO-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(N(C)CC(=O)NC(C)(C)C)nc1-c1nnn[n-]1 ZINC001609424762 1170974447 /nfs/dbraw/zinc/97/44/47/1170974447.db2.gz HKYBHAAOTUBKBL-UHFFFAOYSA-N -1 1 303.370 0.921 20 0 DCADMM Cc1ccc(N(C)CC(=O)NC(C)(C)C)nc1-c1nn[n-]n1 ZINC001609424762 1170974451 /nfs/dbraw/zinc/97/44/51/1170974451.db2.gz HKYBHAAOTUBKBL-UHFFFAOYSA-N -1 1 303.370 0.921 20 0 DCADMM Cc1ccc(NCCCN2CCCC2=O)nc1-c1nnn[n-]1 ZINC001609426383 1170974484 /nfs/dbraw/zinc/97/44/84/1170974484.db2.gz QKRQHMJFCLQYDQ-UHFFFAOYSA-N -1 1 301.354 0.995 20 0 DCADMM Cc1ccc(NCCCN2CCCC2=O)nc1-c1nn[n-]n1 ZINC001609426383 1170974495 /nfs/dbraw/zinc/97/44/95/1170974495.db2.gz QKRQHMJFCLQYDQ-UHFFFAOYSA-N -1 1 301.354 0.995 20 0 DCADMM Cc1ccc(NCCS(=O)(=O)C(C)C)nc1-c1nnn[n-]1 ZINC001609426299 1170975278 /nfs/dbraw/zinc/97/52/78/1170975278.db2.gz MQJMZGKDJMOVGQ-UHFFFAOYSA-N -1 1 310.383 0.805 20 0 DCADMM Cc1ccc(NCCS(=O)(=O)C(C)C)nc1-c1nn[n-]n1 ZINC001609426299 1170975284 /nfs/dbraw/zinc/97/52/84/1170975284.db2.gz MQJMZGKDJMOVGQ-UHFFFAOYSA-N -1 1 310.383 0.805 20 0 DCADMM Cc1ccccc1NC(=O)COc1cnc(-c2nn[n-]n2)nc1 ZINC001609437287 1170977419 /nfs/dbraw/zinc/97/74/19/1170977419.db2.gz WPWNUQCGQQHVNV-UHFFFAOYSA-N -1 1 311.305 0.983 20 0 DCADMM Cc1nn(Cc2noc(C3CC3)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC001609459803 1170984692 /nfs/dbraw/zinc/98/46/92/1170984692.db2.gz VOONTEZSTLOVGJ-UHFFFAOYSA-N -1 1 314.309 0.349 20 0 DCADMM Cc1noc(C)c1CN(C)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609462841 1170987408 /nfs/dbraw/zinc/98/74/08/1170987408.db2.gz ZMIYMVXHVSQAGX-UHFFFAOYSA-N -1 1 315.337 0.723 20 0 DCADMM Cc1onc(CC(=O)N[C@@]2(C)CCO[C@H]2C)c1-c1nnn[n-]1 ZINC001609470998 1170989753 /nfs/dbraw/zinc/98/97/53/1170989753.db2.gz JEWFWLVAJHAKDP-SDBXPKJASA-N -1 1 306.326 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@@]2(C)CCO[C@H]2C)c1-c1nn[n-]n1 ZINC001609470998 1170989757 /nfs/dbraw/zinc/98/97/57/1170989757.db2.gz JEWFWLVAJHAKDP-SDBXPKJASA-N -1 1 306.326 0.389 20 0 DCADMM Fc1cc(Cl)cnc1NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609489405 1170995650 /nfs/dbraw/zinc/99/56/50/1170995650.db2.gz CJZYHBDOBIBUNX-UHFFFAOYSA-N -1 1 309.696 0.758 20 0 DCADMM FC(F)(F)CN1CC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609484143 1170995759 /nfs/dbraw/zinc/99/57/59/1170995759.db2.gz UEXKTWVXIVUQMH-SSDOTTSWSA-N -1 1 314.275 0.705 20 0 DCADMM FC(F)(F)CN1CC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609484143 1170995761 /nfs/dbraw/zinc/99/57/61/1170995761.db2.gz UEXKTWVXIVUQMH-SSDOTTSWSA-N -1 1 314.275 0.705 20 0 DCADMM O=C(C[C@@H]1CCCC(=O)N1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609520172 1171006715 /nfs/dbraw/zinc/00/67/15/1171006715.db2.gz HAOFJMIFALRWME-QMMMGPOBSA-N -1 1 301.310 0.259 20 0 DCADMM O=C(C[C@@H]1CCCC(=O)N1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609520172 1171006722 /nfs/dbraw/zinc/00/67/22/1171006722.db2.gz HAOFJMIFALRWME-QMMMGPOBSA-N -1 1 301.310 0.259 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC[C@H]1C(F)F ZINC001609537308 1171011776 /nfs/dbraw/zinc/01/17/76/1171011776.db2.gz HAERMCBKBKWLCQ-ZETCQYMHSA-N -1 1 312.284 0.104 20 0 DCADMM O=C(NCc1ccn2ccnc2c1)c1cccc(-c2nn[n-]n2)n1 ZINC001609556927 1171022418 /nfs/dbraw/zinc/02/24/18/1171022418.db2.gz ILGYIDHLYVECLS-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)NC1CCCC1 ZINC001609566712 1171024076 /nfs/dbraw/zinc/02/40/76/1171024076.db2.gz ASJVKDZODRIBJO-UHFFFAOYSA-N -1 1 301.310 0.259 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)NC1CCCC1 ZINC001609566712 1171024082 /nfs/dbraw/zinc/02/40/82/1171024082.db2.gz ASJVKDZODRIBJO-UHFFFAOYSA-N -1 1 301.310 0.259 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001609581555 1171030222 /nfs/dbraw/zinc/03/02/22/1171030222.db2.gz RWRNPQOPGZFEHF-NXEZZACHSA-N -1 1 303.322 0.958 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001609581555 1171030227 /nfs/dbraw/zinc/03/02/27/1171030227.db2.gz RWRNPQOPGZFEHF-NXEZZACHSA-N -1 1 303.322 0.958 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(F)(F)[C@H](CO)C1 ZINC001609581541 1171030439 /nfs/dbraw/zinc/03/04/39/1171030439.db2.gz QSWOWEJYJVQAHF-ZETCQYMHSA-N -1 1 313.264 0.549 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(F)(F)[C@H](CO)C1 ZINC001609581541 1171030446 /nfs/dbraw/zinc/03/04/46/1171030446.db2.gz QSWOWEJYJVQAHF-ZETCQYMHSA-N -1 1 313.264 0.549 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC(=O)Nc2ccccc21 ZINC001609589017 1171031676 /nfs/dbraw/zinc/03/16/76/1171031676.db2.gz ZROSCLQJRLORAV-UHFFFAOYSA-N -1 1 321.300 0.861 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC(=O)Nc2ccccc21 ZINC001609589017 1171031682 /nfs/dbraw/zinc/03/16/82/1171031682.db2.gz ZROSCLQJRLORAV-UHFFFAOYSA-N -1 1 321.300 0.861 20 0 DCADMM c1nn2cc(CN3CCOCC34CC4)cnc2c1-c1nnn[n-]1 ZINC001609621054 1171049950 /nfs/dbraw/zinc/04/99/50/1171049950.db2.gz OMTFXAPSHPPIMV-UHFFFAOYSA-N -1 1 312.337 0.274 20 0 DCADMM c1nn2cc(CN3CCOCC34CC4)cnc2c1-c1nn[n-]n1 ZINC001609621054 1171049956 /nfs/dbraw/zinc/04/99/56/1171049956.db2.gz OMTFXAPSHPPIMV-UHFFFAOYSA-N -1 1 312.337 0.274 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CC[C@@H](C(=O)N(C)C)C1)C(=O)[O-] ZINC001609693243 1171067383 /nfs/dbraw/zinc/06/73/83/1171067383.db2.gz CPHJGYHTUCRPQV-NEPJUHHUSA-N -1 1 313.398 0.012 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(O)cc2O)CC1 ZINC001609735305 1171076008 /nfs/dbraw/zinc/07/60/08/1171076008.db2.gz SQBFTHIAJJBAJP-JTQLQIEISA-N -1 1 308.334 0.719 20 0 DCADMM C[C@H]1CN([C@@H](C(=O)[O-])c2cccnc2)CCN1CC(C)(C)O ZINC001609867925 1171109363 /nfs/dbraw/zinc/10/93/63/1171109363.db2.gz OYNORVDXGTVDRO-GXTWGEPZSA-N -1 1 307.394 0.984 20 0 DCADMM CCCC[N@@H+](C)CCNS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001609968688 1171128611 /nfs/dbraw/zinc/12/86/11/1171128611.db2.gz PNBFVDLSORWVPI-UHFFFAOYSA-N -1 1 315.395 0.790 20 0 DCADMM CCCc1cc(C(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])n[nH]1 ZINC001609983308 1171131061 /nfs/dbraw/zinc/13/10/61/1171131061.db2.gz UCNDSTSBBXSRRZ-BXKDBHETSA-N -1 1 323.349 0.841 20 0 DCADMM CCCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)OC)n[nH]1 ZINC001609983200 1171131287 /nfs/dbraw/zinc/13/12/87/1171131287.db2.gz PPWGZWKIGQJGDZ-SKDRFNHKSA-N -1 1 323.349 0.841 20 0 DCADMM CCCn1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cn1 ZINC001609987862 1171132331 /nfs/dbraw/zinc/13/23/31/1171132331.db2.gz UGPICXQHRPLPKZ-GFCCVEGCSA-N -1 1 308.382 0.914 20 0 DCADMM CCOC(=O)[C@H]1CCCN(C(=O)CN[C@](C)(CC)C(=O)[O-])C1 ZINC001610014903 1171140051 /nfs/dbraw/zinc/14/00/51/1171140051.db2.gz VZRHJOHXRBQSND-XHDPSFHLSA-N -1 1 314.382 0.631 20 0 DCADMM CN(C)CCN(C)S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001610100397 1171156520 /nfs/dbraw/zinc/15/65/20/1171156520.db2.gz SKIFDASWYMNFHV-UHFFFAOYSA-N -1 1 318.370 0.635 20 0 DCADMM CNc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc(Cl)n1 ZINC001610147641 1171176866 /nfs/dbraw/zinc/17/68/66/1171176866.db2.gz HOFOEPWIFJOHPU-VIFPVBQESA-N -1 1 323.740 0.926 20 0 DCADMM CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)CC(=O)[O-])ccc1O ZINC001610148049 1171177434 /nfs/dbraw/zinc/17/74/34/1171177434.db2.gz CEEALQXNFJEUEA-ZETCQYMHSA-N -1 1 316.335 0.350 20 0 DCADMM COC(=O)[C@@H]1CN(C)CCN(c2nc(C(=O)[O-])c(C)s2)C1 ZINC001610176290 1171187211 /nfs/dbraw/zinc/18/72/11/1171187211.db2.gz BPZBBZSWDCMDMX-SECBINFHSA-N -1 1 313.379 0.691 20 0 DCADMM COc1cc(C(=O)[O-])ccc1NC(=O)NCCc1nc[nH]n1 ZINC001610285045 1171215939 /nfs/dbraw/zinc/21/59/39/1171215939.db2.gz NBOFCHNUGQKMRE-UHFFFAOYSA-N -1 1 305.294 0.876 20 0 DCADMM Cc1ccc(C(=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC001610483385 1171242461 /nfs/dbraw/zinc/24/24/61/1171242461.db2.gz RIEFOQRPOLVJGL-LBPRGKRZSA-N -1 1 301.302 0.713 20 0 DCADMM Cc1[nH]ncc1CNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001610549251 1171252181 /nfs/dbraw/zinc/25/21/81/1171252181.db2.gz AJTYNYGXGJQBHX-JTQLQIEISA-N -1 1 319.325 0.164 20 0 DCADMM Cc1oc(C)c(S(=O)(=O)N2CCN[C@@H](C)[C@H]2C)c1C(=O)[O-] ZINC001610581580 1171260369 /nfs/dbraw/zinc/26/03/69/1171260369.db2.gz UPZQIBQVMMSTDG-JGVFFNPUSA-N -1 1 316.379 0.966 20 0 DCADMM Cn1cc(CN2CCC[C@H](CS(N)(=O)=O)C2)cc1C(=O)[O-] ZINC001610602456 1171263709 /nfs/dbraw/zinc/26/37/09/1171263709.db2.gz CYGXWZBZUOLRTD-JTQLQIEISA-N -1 1 315.395 0.224 20 0 DCADMM Cn1ccc([C@H](NC(=O)c2ccc3[nH]nnc3c2)C(=O)[O-])n1 ZINC001610610501 1171267724 /nfs/dbraw/zinc/26/77/24/1171267724.db2.gz YQPLTRFOXDZUJH-NSHDSACASA-N -1 1 300.278 0.247 20 0 DCADMM 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/nfs/dbraw/zinc/98/26/49/1175982649.db2.gz TWLQPZROHXWGMD-GFCCVEGCSA-N -1 1 321.377 0.887 20 0 DCADMM Cc1ncoc1C(=O)NC/C=C/CNC(=O)c1ncccc1[O-] ZINC001689283655 1176793397 /nfs/dbraw/zinc/79/33/97/1176793397.db2.gz KMANNJSOMPSBPQ-NSCUHMNNSA-N -1 1 316.317 0.800 20 0 DCADMM CCN(CCCNC(=O)c1ccncc1F)Cc1n[nH]c(=O)[n-]1 ZINC001689923762 1177114282 /nfs/dbraw/zinc/11/42/82/1177114282.db2.gz JSVHGNYGGMAPRO-UHFFFAOYSA-N -1 1 322.344 0.686 20 0 DCADMM CCc1cccnc1C(=O)N(CC)CCNCc1n[nH]c(=O)[n-]1 ZINC001699189703 1177926824 /nfs/dbraw/zinc/92/68/24/1177926824.db2.gz LLGNKLQNJHARHK-UHFFFAOYSA-N -1 1 318.381 0.720 20 0 DCADMM O=C(CC1CCCC1)N(CCO)CCNCc1n[nH]c(=O)[n-]1 ZINC001700020774 1178434318 /nfs/dbraw/zinc/43/43/18/1178434318.db2.gz ACQMCRBBLVVREG-UHFFFAOYSA-N -1 1 311.386 0.001 20 0 DCADMM C[C@@H]1CO[C@H](C(=O)NC/C=C/CNC(=O)c2ncccc2[O-])C1 ZINC001705019752 1180226240 /nfs/dbraw/zinc/22/62/40/1180226240.db2.gz NQMUJWKRMSJHMO-BZLCLMNCSA-N -1 1 319.361 0.614 20 0 DCADMM O=C(NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1cnccn1 ZINC001707475254 1180532436 /nfs/dbraw/zinc/53/24/36/1180532436.db2.gz ZSKWVVJJYQSIGU-UHFFFAOYSA-N -1 1 317.353 0.085 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2OC)co1 ZINC000156474827 1180557200 /nfs/dbraw/zinc/55/72/00/1180557200.db2.gz SRQQEOFLBKCEOP-NXEZZACHSA-N -1 1 302.352 0.485 20 0 DCADMM CCC(CO)(CO)[N-]S(=O)(=O)c1sc(Cl)nc1C ZINC000232876901 1180560596 /nfs/dbraw/zinc/56/05/96/1180560596.db2.gz DNCXIOWDGQGBNL-UHFFFAOYSA-N -1 1 314.816 0.517 20 0 DCADMM O=S(=O)([N-]C[C@H](O)C(F)(F)F)c1cnc(Cl)nc1 ZINC000236525124 1180641270 /nfs/dbraw/zinc/64/12/70/1180641270.db2.gz GOMCHQDKONOCQR-YFKPBYRVSA-N -1 1 305.665 0.332 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)C1(C)CC(F)(F)C1 ZINC001713651846 1180995929 /nfs/dbraw/zinc/99/59/29/1180995929.db2.gz LFIGYUCOPBVMIG-UHFFFAOYSA-N -1 1 303.313 0.494 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001714222253 1181285369 /nfs/dbraw/zinc/28/53/69/1181285369.db2.gz 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Cc1nn(C)c(=O)c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1C ZINC000270972343 1186543904 /nfs/dbraw/zinc/54/39/04/1186543904.db2.gz CLCLVASUQPJNKT-UHFFFAOYSA-N -1 1 316.243 0.786 20 0 DCADMM CC[C@@H]1CCO[C@@H]1C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001736725221 1187068555 /nfs/dbraw/zinc/06/85/55/1187068555.db2.gz GTOBPRSWGGMTEF-MFKMUULPSA-N -1 1 307.350 0.448 20 0 DCADMM Cc1ncc(C(=O)NCCCN(C)C(=O)c2ncccc2[O-])[nH]1 ZINC001737112391 1187247938 /nfs/dbraw/zinc/24/79/38/1187247938.db2.gz LALLLURXERXCJC-UHFFFAOYSA-N -1 1 317.349 0.711 20 0 DCADMM CC[C@H](CNC(=O)CCCOC)NC(=O)c1ncccc1[O-] ZINC001738106868 1187474461 /nfs/dbraw/zinc/47/44/61/1187474461.db2.gz GVVXVAXZHVUCRN-LLVKDONJSA-N -1 1 309.366 0.838 20 0 DCADMM Cc1n[nH]cc1C(=O)NCC=CCNC(=O)c1ncccc1[O-] ZINC001738492853 1187572314 /nfs/dbraw/zinc/57/23/14/1187572314.db2.gz XMEHNACHLBMREO-NSCUHMNNSA-N -1 1 315.333 0.535 20 0 DCADMM COCCCC(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001739769384 1187838128 /nfs/dbraw/zinc/83/81/28/1187838128.db2.gz APHIUIUAMYRVCY-GFCCVEGCSA-N -1 1 321.377 0.887 20 0 DCADMM CC[C@H]1CC[C@H](C(=O)NCCNC(=O)c2ncccc2[O-])O1 ZINC001742355064 1187963600 /nfs/dbraw/zinc/96/36/00/1187963600.db2.gz BNXSUPAWBQHSPC-CMPLNLGQSA-N -1 1 307.350 0.591 20 0 DCADMM COCc1cc(C(=O)NCCNC(=O)c2ncccc2[O-])no1 ZINC001742355703 1187964851 /nfs/dbraw/zinc/96/48/51/1187964851.db2.gz KWIKDIVXZNRDFM-UHFFFAOYSA-N -1 1 320.305 0.081 20 0 DCADMM CCOCCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001744102190 1188182948 /nfs/dbraw/zinc/18/29/48/1188182948.db2.gz YYRRGNYJFDZUEM-LLVKDONJSA-N -1 1 307.350 0.545 20 0 DCADMM Cc1n[nH]c(C(=O)NCC2CN(CCOCC3CCC3)C2)c1[O-] ZINC001753400164 1188583732 /nfs/dbraw/zinc/58/37/32/1188583732.db2.gz YRUJDZBAJDWYIE-UHFFFAOYSA-N -1 1 322.409 0.902 20 0 DCADMM O=C(c1ccc[nH]1)N1CCC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001753539509 1188615683 /nfs/dbraw/zinc/61/56/83/1188615683.db2.gz HYEQCMBINJEJEC-NSHDSACASA-N -1 1 318.381 0.871 20 0 DCADMM O=C(N[C@@H](CO)CNC(=O)[C@@H]1CC=CCC1)c1ncccc1[O-] ZINC001756506527 1189362780 /nfs/dbraw/zinc/36/27/80/1189362780.db2.gz QFRJPWFDXOLDDR-VXGBXAGGSA-N -1 1 319.361 0.350 20 0 DCADMM Cc1cc(OCC(=O)NCCNC(=O)c2ncccc2[O-])no1 ZINC001757966728 1189644689 /nfs/dbraw/zinc/64/46/89/1189644689.db2.gz DOICQCBMOUDGDR-UHFFFAOYSA-N -1 1 320.305 0.009 20 0 DCADMM CC(C)C(=O)NCCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001758126094 1189737284 /nfs/dbraw/zinc/73/72/84/1189737284.db2.gz UNRKRFAUBOIKFJ-UHFFFAOYSA-N -1 1 306.366 0.952 20 0 DCADMM CCOCCC(=O)NCCCN(C)C(=O)c1ncccc1[O-] ZINC001758347423 1189842065 /nfs/dbraw/zinc/84/20/65/1189842065.db2.gz MMSDWQSVSDKQMV-UHFFFAOYSA-N -1 1 309.366 0.792 20 0 DCADMM CCN(CCCNC(=O)c1ncccc1[O-])C(=O)[C@@H](C)OC ZINC001758489747 1189906087 /nfs/dbraw/zinc/90/60/87/1189906087.db2.gz SKUKNTCAIBLQCA-LLVKDONJSA-N -1 1 309.366 0.791 20 0 DCADMM CCc1nc(S(=O)(=O)[C@@H](C)c2nc(COC)no2)n[n-]1 ZINC001771648576 1190402457 /nfs/dbraw/zinc/40/24/57/1190402457.db2.gz CBMJNOCFMOAXQG-LURJTMIESA-N -1 1 301.328 0.431 20 0 DCADMM C[C@H](CN(C)C(=O)c1cc(=O)[nH]c(C2CC2)n1)c1nn[n-]n1 ZINC001771764440 1190493310 /nfs/dbraw/zinc/49/33/10/1190493310.db2.gz JKFZYIVPLPQMQA-SSDOTTSWSA-N -1 1 303.326 0.448 20 0 DCADMM CS[C@H](C)CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001771834835 1190520158 /nfs/dbraw/zinc/52/01/58/1190520158.db2.gz AREDOVYDEUXZEW-MRVPVSSYSA-N -1 1 312.395 0.806 20 0 DCADMM O=C([O-])c1cc(CN2CCC[C@H](C(=O)NCC3CC3)C2)[nH]n1 ZINC001771908320 1190551230 /nfs/dbraw/zinc/55/12/30/1190551230.db2.gz MHNBJQXFWPOXIH-NSHDSACASA-N -1 1 306.366 0.846 20 0 DCADMM CCOC[C@@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2)CCO1 ZINC001771920007 1190556567 /nfs/dbraw/zinc/55/65/67/1190556567.db2.gz ICUBXDBEHXJVBD-STQMWFEESA-N -1 1 314.382 0.047 20 0 DCADMM C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CCN1CC(C)(C)O ZINC001771921816 1190557544 /nfs/dbraw/zinc/55/75/44/1190557544.db2.gz YFFQNKMEZDDJCJ-XQQFMLRXSA-N -1 1 312.410 0.791 20 0 DCADMM CO[C@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)[C@](C)(CO)C1 ZINC001771925866 1190560415 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CCn1c(-c2nnn[n-]2)nnc1N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001772184890 1190624494 /nfs/dbraw/zinc/62/44/94/1190624494.db2.gz ZCZDSYQDBIKXQK-NXEZZACHSA-N -1 1 304.358 0.483 20 0 DCADMM CCn1c(-c2nn[n-]n2)nnc1N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001772184890 1190624496 /nfs/dbraw/zinc/62/44/96/1190624496.db2.gz ZCZDSYQDBIKXQK-NXEZZACHSA-N -1 1 304.358 0.483 20 0 DCADMM Cc1ccn(CC(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)c(=O)c1 ZINC001772463490 1190691469 /nfs/dbraw/zinc/69/14/69/1190691469.db2.gz JAJSMFZBVNWBSY-LBPRGKRZSA-N -1 1 316.365 0.151 20 0 DCADMM O=C(c1cccc(CO)c1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001772464649 1190691921 /nfs/dbraw/zinc/69/19/21/1190691921.db2.gz XKAPIXDPEWHJPB-LLVKDONJSA-N -1 1 301.350 0.787 20 0 DCADMM C[N@@H+]1CC=C(CNS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000392258447 1190701350 /nfs/dbraw/zinc/70/13/50/1190701350.db2.gz PAPOIAJLDZQHRE-UHFFFAOYSA-N -1 1 324.402 0.854 20 0 DCADMM CN1CC=C(CNS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000392258447 1190701351 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Nc1ccc(S(=O)(=O)[N-]c2cnc(NCCO)nc2)cc1 ZINC001210901679 747143758 /nfs/dbraw/zinc/14/37/58/747143758.db2.gz VMDWUBXYDHYRMQ-UHFFFAOYSA-N -1 1 309.351 0.264 20 0 DCADMM CO[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001087129602 747168897 /nfs/dbraw/zinc/16/88/97/747168897.db2.gz DJGQADZNKOHNGT-MXWKQRLJSA-N -1 1 311.386 0.262 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCc1nnc2ccc(Cl)cn21 ZINC001167484673 747284615 /nfs/dbraw/zinc/28/46/15/747284615.db2.gz LSUAAFFRBSRDNE-UHFFFAOYSA-N -1 1 320.744 0.535 20 0 DCADMM O=C1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)CCN1 ZINC000692853140 748301364 /nfs/dbraw/zinc/30/13/64/748301364.db2.gz GMXRALDDWKPZOS-ZETCQYMHSA-N -1 1 321.761 0.821 20 0 DCADMM Cc1cnc(CN2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)o1 ZINC001083421254 749170693 /nfs/dbraw/zinc/17/06/93/749170693.db2.gz QOGXXZXEXTVQDQ-PWSUYJOCSA-N -1 1 318.333 0.059 20 0 DCADMM O=C([C@H]1CCCO1)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088258390 749316083 /nfs/dbraw/zinc/31/60/83/749316083.db2.gz 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CCN(C(=O)[C@H](O)C(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079712344 755976773 /nfs/dbraw/zinc/97/67/73/755976773.db2.gz RMPIKSANPIVROR-CQSZACIVSA-N -1 1 321.377 0.477 20 0 DCADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@]1(C)C=CCC1 ZINC001080277666 756159490 /nfs/dbraw/zinc/15/94/90/756159490.db2.gz ZAHBFWWPHSIJEB-HSMVNMDESA-N -1 1 319.409 0.401 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccccc2O)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054397390 756471195 /nfs/dbraw/zinc/47/11/95/756471195.db2.gz BTPNQNRXDLCCEX-KOLCDFICSA-N -1 1 317.349 0.466 20 0 DCADMM Cc1ncsc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001054428705 756480172 /nfs/dbraw/zinc/48/01/72/756480172.db2.gz HPCMKCBQVFYGHP-CBAPKCEASA-N -1 1 322.394 0.526 20 0 DCADMM CC(C)=CC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001081225586 756484283 /nfs/dbraw/zinc/48/42/83/756484283.db2.gz KOHCVNSTOVIZTH-YPMHNXCESA-N -1 1 319.361 0.303 20 0 DCADMM Cc1ocnc1C(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054459847 756493823 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321.377 0.382 20 0 DCADMM CCCCCC(=O)N(CCO)CCNC(=O)c1ncccc1[O-] ZINC001056976591 756986415 /nfs/dbraw/zinc/98/64/15/756986415.db2.gz MXEMTSRSYKVGPM-UHFFFAOYSA-N -1 1 323.393 0.918 20 0 DCADMM CC/C=C(\C)C(=O)N(CCO)CCNC(=O)c1ncccc1[O-] ZINC001057122337 757141293 /nfs/dbraw/zinc/14/12/93/757141293.db2.gz RNWMCMYQHLRRNV-LFYBBSHMSA-N -1 1 321.377 0.694 20 0 DCADMM Cc1cc(C)c(C(N)=O)c(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)n1 ZINC001170212843 762568467 /nfs/dbraw/zinc/56/84/67/762568467.db2.gz CXJKQMXFPKYUOI-UHFFFAOYSA-N -1 1 315.293 0.570 20 0 DCADMM CCOc1cc(C)nc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)n1 ZINC001170213962 762569467 /nfs/dbraw/zinc/56/94/67/762569467.db2.gz UQOJRWZDTFTFKB-UHFFFAOYSA-N -1 1 303.282 0.956 20 0 DCADMM Cc1cc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)nc2c1nnn2C ZINC001170218250 762569927 /nfs/dbraw/zinc/56/99/27/762569927.db2.gz SGLAQPNBYMETBL-UHFFFAOYSA-N -1 1 313.281 0.444 20 0 DCADMM O=C(CC1CCC1)NCCN(CCO)C(=O)c1ncccc1[O-] ZINC001057410299 757734689 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CC[C@H](C)c1nc([C@H](C)NC(=O)NCCOCC(=O)[O-])n[nH]1 ZINC001595016125 979069717 /nfs/dbraw/zinc/06/97/17/979069717.db2.gz RVGIIFGRLJMYQX-IUCAKERBSA-N -1 1 313.358 0.780 20 0 DCADMM C[C@@H](CNC(=O)c1[nH]ncc1F)N(C)c1ncc(C(=O)[O-])cn1 ZINC001592705219 979167167 /nfs/dbraw/zinc/16/71/67/979167167.db2.gz BLIAVSFRQXMXMT-ZETCQYMHSA-N -1 1 322.300 0.292 20 0 DCADMM C[C@@](Cn1cccn1)(NC(=O)[C@@H]1CCc2[nH]cnc2C1)C(=O)[O-] ZINC001592917276 979893485 /nfs/dbraw/zinc/89/34/85/979893485.db2.gz MSVAHLJWRGORAP-BMIGLBTASA-N -1 1 317.349 0.371 20 0 DCADMM C[C@@H](NC(=O)CN1CCC[C@H](CCC(=O)[O-])C1)C(=O)N(C)C ZINC001593025546 980281059 /nfs/dbraw/zinc/28/10/59/980281059.db2.gz DDUOVCMVLMMUQX-VXGBXAGGSA-N -1 1 313.398 0.156 20 0 DCADMM C[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC001593039981 980321459 /nfs/dbraw/zinc/32/14/59/980321459.db2.gz KCJXECXKQBIANG-DOMZBBRYSA-N -1 1 319.405 0.678 20 0 DCADMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCC(=O)N(C)CC(=O)[O-])C1 ZINC001595368213 980824294 /nfs/dbraw/zinc/82/42/94/980824294.db2.gz BEKZFMVLFLSDPD-CQSZACIVSA-N -1 1 300.355 0.496 20 0 DCADMM CC[C@]1(C2CC2)NC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1=O ZINC001595372584 980863881 /nfs/dbraw/zinc/86/38/81/980863881.db2.gz NJFNRGAIPVYAIW-XHDPSFHLSA-N -1 1 309.366 0.994 20 0 DCADMM O=C([O-])[C@]1(C(=O)NCCC2CCC(F)(F)CC2)CNCCO1 ZINC001523500053 1014711776 /nfs/dbraw/zinc/71/17/76/1014711776.db2.gz LAZIYSYKWWOWPS-CQSZACIVSA-N -1 1 320.336 0.761 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H](CC(=O)[O-])C1)C(=O)[O-] ZINC001594890444 982283919 /nfs/dbraw/zinc/28/39/19/982283919.db2.gz HKKXWPQDEBWGBJ-WDMOLILDSA-N -1 1 314.382 0.789 20 0 DCADMM CC[C@@H](C)[C@H](NC(=O)CN1CCc2nccc(N)c2C1)C(=O)[O-] ZINC001594893569 982307583 /nfs/dbraw/zinc/30/75/83/982307583.db2.gz JEWCIPODHSIHIS-BMIGLBTASA-N -1 1 320.393 0.637 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)Cn1cc(C(C)(C)NC)nn1)C(=O)[O-] ZINC001594909012 982406454 /nfs/dbraw/zinc/40/64/54/982406454.db2.gz OMXCNXCDMMCEBY-CABZTGNLSA-N -1 1 311.386 0.348 20 0 DCADMM O=C(c1cnncc1[O-])N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC001550858167 1014884521 /nfs/dbraw/zinc/88/45/21/1014884521.db2.gz CJGFVADONRJQJZ-JTQLQIEISA-N -1 1 300.322 0.738 20 0 DCADMM COC(=O)[C@H](C)NC(=O)[C@H](C)NCc1cc(C(=O)[O-])c(C)[nH]1 ZINC001573935624 983142184 /nfs/dbraw/zinc/14/21/84/983142184.db2.gz VGKCFRLCZFSENC-IUCAKERBSA-N -1 1 311.338 0.177 20 0 DCADMM CCCn1nccc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001596120445 983454662 /nfs/dbraw/zinc/45/46/62/983454662.db2.gz MJFZNYBMYKOUIH-LBPRGKRZSA-N -1 1 308.382 0.914 20 0 DCADMM CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1cnc(C)nc1 ZINC001596326958 983761214 /nfs/dbraw/zinc/76/12/14/983761214.db2.gz NSWIMZHIAOLLDL-KBPBESRZSA-N -1 1 320.393 0.834 20 0 DCADMM CCN1CC[C@H](N[C@H](Cc2cccc(OC)c2)C(=O)[O-])C1=O ZINC001596409441 983992196 /nfs/dbraw/zinc/99/21/96/983992196.db2.gz CEOJHOOEDNXUQB-UONOGXRCSA-N -1 1 306.362 0.901 20 0 DCADMM CCN1CC[C@H]1CNC(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001596415817 984027820 /nfs/dbraw/zinc/02/78/20/984027820.db2.gz UZQFMLZEYAPJPS-LBPRGKRZSA-N -1 1 318.377 0.942 20 0 DCADMM CCN1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)[C@@H](C)C1 ZINC001596425808 984077922 /nfs/dbraw/zinc/07/79/22/984077922.db2.gz KZMYZRPMGCNNDI-NSHDSACASA-N -1 1 304.412 0.597 20 0 DCADMM CCOC(=O)[C@@]1(C)CC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1 ZINC001596553095 984421013 /nfs/dbraw/zinc/42/10/13/984421013.db2.gz SUZKYXMVYIBOHY-ABAIWWIYSA-N -1 1 312.366 0.685 20 0 DCADMM COC[C@@H](C)C(=O)N1CC([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001450309209 1015034931 /nfs/dbraw/zinc/03/49/31/1015034931.db2.gz KJNUSYUFKNMWDG-GHMZBOCLSA-N -1 1 321.377 0.646 20 0 DCADMM CC(=CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])c1cnccn1 ZINC001588943764 984641232 /nfs/dbraw/zinc/64/12/32/984641232.db2.gz CBSNFLNOEAGWLZ-VCFDLTMXSA-N -1 1 301.306 0.415 20 0 DCADMM CCOC(=O)c1[nH]nc(NC(=O)c2cnc(C(=O)[O-])cn2)c1C ZINC001596695082 984826553 /nfs/dbraw/zinc/82/65/53/984826553.db2.gz UMKWPXNECGFVDU-UHFFFAOYSA-N -1 1 319.277 0.635 20 0 DCADMM CCOC(=O)c1c(C)[nH]nc1CN[C@@H](C(=O)[O-])c1ccnn1C ZINC001596697040 984851002 /nfs/dbraw/zinc/85/10/02/984851002.db2.gz DDRAOAGOWORDBA-GFCCVEGCSA-N -1 1 321.337 0.544 20 0 DCADMM CCOC(=O)c1ccc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)nc1 ZINC001596720479 984963683 /nfs/dbraw/zinc/96/36/83/984963683.db2.gz KKXSUNIPBYRRKZ-DGCLKSJQSA-N -1 1 308.334 0.526 20 0 DCADMM O=C(N[C@H](CO)CNC(=O)c1ncccc1[O-])c1ccsc1 ZINC001383900601 985182729 /nfs/dbraw/zinc/18/27/29/985182729.db2.gz IUPOROQLVBEWOJ-JTQLQIEISA-N -1 1 321.358 0.369 20 0 DCADMM CCO[C@@H]1C[C@@](NC(=O)Cc2n[nH]c(C)n2)(C(=O)[O-])C1(C)C ZINC001596817649 985394178 /nfs/dbraw/zinc/39/41/78/985394178.db2.gz KGWMUERPKNGTBC-YMTOWFKASA-N -1 1 310.354 0.430 20 0 DCADMM CN(C[C@@H](O)CNC(=O)c1ccoc1)C(=O)c1ncccc1[O-] ZINC001384212657 985441649 /nfs/dbraw/zinc/44/16/49/985441649.db2.gz ABBFSHBYROULFY-NSHDSACASA-N -1 1 319.317 0.243 20 0 DCADMM CN(C[C@@H](O)CNC(=O)CC1CCC1)C(=O)c1ncccc1[O-] ZINC001384217584 985443911 /nfs/dbraw/zinc/44/39/11/985443911.db2.gz KMZPLLGVJBIDMR-LBPRGKRZSA-N -1 1 321.377 0.527 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC001450481376 1015166035 /nfs/dbraw/zinc/16/60/35/1015166035.db2.gz HUGXVTJHXNJXLE-SECBINFHSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CNCC(F)(F)F ZINC001594514953 985861122 /nfs/dbraw/zinc/86/11/22/985861122.db2.gz LGXRHJUEFIETDH-SECBINFHSA-N -1 1 311.304 0.146 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1COC(C)(C)C1 ZINC001594515128 985863672 /nfs/dbraw/zinc/86/36/72/985863672.db2.gz FAMJCHSNWHGMAB-NEPJUHHUSA-N -1 1 313.398 0.744 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1COC(C)(C)C1 ZINC001594515130 985863817 /nfs/dbraw/zinc/86/38/17/985863817.db2.gz FAMJCHSNWHGMAB-RYUDHWBXSA-N -1 1 313.398 0.744 20 0 DCADMM CO[C@@H](C)CC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001384942801 985968266 /nfs/dbraw/zinc/96/82/66/985968266.db2.gz SGEQDTLZXRTYIT-SDDRHHMPSA-N -1 1 321.377 0.837 20 0 DCADMM CC(C)N(C)C(=O)[C@H](C)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589334960 986206210 /nfs/dbraw/zinc/20/62/10/986206210.db2.gz KPLDQEJRTFULBR-WDEREUQCSA-N -1 1 309.370 0.478 20 0 DCADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(C2(O)CC2)CC1 ZINC001589349689 986301358 /nfs/dbraw/zinc/30/13/58/986301358.db2.gz JQNFEWRGWFOSDR-LBPRGKRZSA-N -1 1 324.421 0.935 20 0 DCADMM C[C@@H](C(=O)NC(=O)NC1CC1)N1CCSC[C@H](C(=O)[O-])C1 ZINC001589376399 986437415 /nfs/dbraw/zinc/43/74/15/986437415.db2.gz ZCPABBYBWBHTJG-DTWKUNHWSA-N -1 1 315.395 0.113 20 0 DCADMM C[C@H](C(=O)NC1CC1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589391743 986510228 /nfs/dbraw/zinc/51/02/28/986510228.db2.gz RHDXJHDWICZJLQ-MWLCHTKSSA-N -1 1 307.354 0.280 20 0 DCADMM C[C@@H]1[C@H](C)NCCN1S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001594630447 986717827 /nfs/dbraw/zinc/71/78/27/986717827.db2.gz AJPLOJNTQHRKAL-WDEREUQCSA-N -1 1 312.391 0.897 20 0 DCADMM C[C@H]1OCC[C@]1(C)NCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001594641621 986796319 /nfs/dbraw/zinc/79/63/19/986796319.db2.gz YXUJXXPBUJBPHP-OQPBUACISA-N -1 1 313.379 0.866 20 0 DCADMM CN(C(=O)c1cc2nccc(C(F)(F)F)n2n1)c1nn[n-]n1 ZINC001532084849 1015261336 /nfs/dbraw/zinc/26/13/36/1015261336.db2.gz DJQKPHZSPFDDEF-UHFFFAOYSA-N -1 1 312.215 0.538 20 0 DCADMM COCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001386289402 987042612 /nfs/dbraw/zinc/04/26/12/987042612.db2.gz WDWDOTMLGSEEIR-PHIMTYICSA-N -1 1 321.377 0.837 20 0 DCADMM CCS(=O)(=O)N(C)CCCNCc1ncc(C(=O)[O-])s1 ZINC001597216143 987144307 /nfs/dbraw/zinc/14/43/07/987144307.db2.gz RCXSFEFOBJIUFV-UHFFFAOYSA-N -1 1 321.424 0.603 20 0 DCADMM C[C@@H](CNC(=O)Cc1cnoc1)CNC(=O)c1ncccc1[O-] ZINC001532199991 1015308760 /nfs/dbraw/zinc/30/87/60/1015308760.db2.gz WFAXLLYVTVJXBC-JTQLQIEISA-N -1 1 318.333 0.500 20 0 DCADMM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CC[N@H+]3CC[C@H]2C3)n1 ZINC001589675887 987691677 /nfs/dbraw/zinc/69/16/77/987691677.db2.gz UZBQTDVJBANQMW-JTQLQIEISA-N -1 1 307.354 0.625 20 0 DCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2coc(C=O)c2)c1 ZINC001450754182 1015340073 /nfs/dbraw/zinc/34/00/73/1015340073.db2.gz OWMHHMSPFLIMRZ-UHFFFAOYSA-N -1 1 324.314 0.958 20 0 DCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)c1 ZINC001450755709 1015340968 /nfs/dbraw/zinc/34/09/68/1015340968.db2.gz XEDPFEYEKQGJRC-BZHVJNSISA-N -1 1 324.358 0.464 20 0 DCADMM CCc1cc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)[nH]n1 ZINC001597470307 987919789 /nfs/dbraw/zinc/91/97/89/987919789.db2.gz DCJZNIMRVJRVDG-NSHDSACASA-N -1 1 323.397 0.663 20 0 DCADMM CC(C)(C)[C@@H]1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C[C@@H]1O ZINC001589732511 987963559 /nfs/dbraw/zinc/96/35/59/987963559.db2.gz RNNGBYCJBINYQB-UPJWGTAASA-N -1 1 312.410 0.791 20 0 DCADMM CCc1ccc(NC(=O)C(=O)N2CCN[C@@H](C)C2)c(C(=O)[O-])c1 ZINC001597538819 988220264 /nfs/dbraw/zinc/22/02/64/988220264.db2.gz ZMLJYZOMCSJZCX-JTQLQIEISA-N -1 1 319.361 0.706 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@@H](C)CNC(=O)CN2CCCC2)c1[O-] ZINC001388426087 988299988 /nfs/dbraw/zinc/29/99/88/988299988.db2.gz ZDVSQSKXNQTPLH-JTQLQIEISA-N -1 1 323.397 0.002 20 0 DCADMM CSc1cccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])n1 ZINC001599821451 988520368 /nfs/dbraw/zinc/52/03/68/988520368.db2.gz BVRAXXAYUIUWNX-SNVBAGLBSA-N -1 1 306.347 0.952 20 0 DCADMM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)CN1CCCC1 ZINC001599836383 988751093 /nfs/dbraw/zinc/75/10/93/988751093.db2.gz INCUKCJYKKBKIN-JTQLQIEISA-N -1 1 307.354 0.187 20 0 DCADMM O=C(CCn1cccc1)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001389388283 989187140 /nfs/dbraw/zinc/18/71/40/989187140.db2.gz UYUJZLNNHLKNNG-UHFFFAOYSA-N -1 1 314.345 0.620 20 0 DCADMM C[C@@H]1CN(Cc2ccc(-n3cncn3)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599866781 989278726 /nfs/dbraw/zinc/27/87/26/989278726.db2.gz TZIFONYWCTUIFQ-RISCZKNCSA-N -1 1 302.334 0.941 20 0 DCADMM C[C@H](CN(C)C(=O)[C@@H]1CCOC1)NC(=O)c1ncccc1[O-] ZINC001450962175 1015484163 /nfs/dbraw/zinc/48/41/63/1015484163.db2.gz XMUPBXGAGSUGBG-GHMZBOCLSA-N -1 1 307.350 0.400 20 0 DCADMM C[C@H](CCNC(=O)[C@@H]1CCCOC1)NC(=O)c1ncccc1[O-] ZINC001527484377 1015479826 /nfs/dbraw/zinc/47/98/26/1015479826.db2.gz CNXXHNXAVJDBDX-VXGBXAGGSA-N -1 1 321.377 0.838 20 0 DCADMM O=C(C[C@H]1CCOC1)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001389748139 989540784 /nfs/dbraw/zinc/54/07/84/989540784.db2.gz YFHPPDSZUMDADZ-NEPJUHHUSA-N -1 1 319.361 0.545 20 0 DCADMM CCn1ccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)n1 ZINC001597904845 989790803 /nfs/dbraw/zinc/79/08/03/989790803.db2.gz QWJRNAAXPQAVHG-LBPRGKRZSA-N -1 1 323.397 0.593 20 0 DCADMM Cc1nc(C)c(CN[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001390335090 990003312 /nfs/dbraw/zinc/00/33/12/990003312.db2.gz FKACPOOXLVKMKS-SSDOTTSWSA-N -1 1 307.354 0.937 20 0 DCADMM CCOCC(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001391036236 990531757 /nfs/dbraw/zinc/53/17/57/990531757.db2.gz PDTVGOXEPXGMEA-LLVKDONJSA-N -1 1 307.350 0.545 20 0 DCADMM Cn1[n-]c(CN(CCNC(=O)C2(C)CCCC2)C2CC2)nc1=O ZINC001391176954 990642971 /nfs/dbraw/zinc/64/29/71/990642971.db2.gz JVSLIXFSJQCMGW-UHFFFAOYSA-N -1 1 321.425 0.769 20 0 DCADMM CC(C)(CS(=O)(=O)NCc1ccc2cncn2c1)C(=O)[O-] ZINC001590820863 990658768 /nfs/dbraw/zinc/65/87/68/990658768.db2.gz ZWTCBRHTQIWYMF-UHFFFAOYSA-N -1 1 311.363 0.865 20 0 DCADMM Cc1nnc([C@H](C)NCCN(C)C(=O)c2ncccc2[O-])o1 ZINC001391210573 990672791 /nfs/dbraw/zinc/67/27/91/990672791.db2.gz QMXKNVQXCKRYEB-VIFPVBQESA-N -1 1 305.338 0.901 20 0 DCADMM C[C@@H](CNC(=O)c1cc[nH]c1)CNC(=O)c1ncccc1[O-] ZINC001391239410 990692919 /nfs/dbraw/zinc/69/29/19/990692919.db2.gz DDGAUZZRVAWOIH-JTQLQIEISA-N -1 1 302.334 0.911 20 0 DCADMM CC(C)(O)C1CCC(C(=O)N2CCN(CC(=O)[O-])CC2)CC1 ZINC001590888172 990806966 /nfs/dbraw/zinc/80/69/66/990806966.db2.gz APJBYNKPRMDEHP-UHFFFAOYSA-N -1 1 312.410 0.793 20 0 DCADMM CN(C)Cc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cn1 ZINC001598249248 991029446 /nfs/dbraw/zinc/02/94/46/991029446.db2.gz YOJZXSFZGCSHNC-UHFFFAOYSA-N -1 1 303.322 0.677 20 0 DCADMM COc1cccc2c1CC[C@@]2(N)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001599689589 991046418 /nfs/dbraw/zinc/04/64/18/991046418.db2.gz JQFFJMOOXJJRQQ-HWPZZCPQSA-N -1 1 306.362 0.975 20 0 DCADMM CC[C@@H](CNC(=O)C1CCC(O)CC1)NCc1n[nH]c(=O)[n-]1 ZINC001391684908 991092868 /nfs/dbraw/zinc/09/28/68/991092868.db2.gz IWKGEZYKQMUKOM-YVNMAJEFSA-N -1 1 311.386 0.046 20 0 DCADMM CC[C@H](CNC(=O)c1n[nH]c2c1CCC2)NCc1n[nH]c(=O)[n-]1 ZINC001391701057 991112025 /nfs/dbraw/zinc/11/20/25/991112025.db2.gz RCMQFDZNMBLJNU-MRVPVSSYSA-N -1 1 319.369 0.020 20 0 DCADMM CO[C@@H](C)CC(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001391775823 991173120 /nfs/dbraw/zinc/17/31/20/991173120.db2.gz PHGXHURRKVRINJ-NSHDSACASA-N -1 1 309.366 0.743 20 0 DCADMM CN(CCN(C)C(=O)c1ncccc1[O-])C(=O)c1cc[nH]c1 ZINC001391809531 991195633 /nfs/dbraw/zinc/19/56/33/991195633.db2.gz UBRMYVHYBRMUOS-UHFFFAOYSA-N -1 1 302.334 0.960 20 0 DCADMM CN(CCN(C)C(=O)[C@H]1CC1(F)F)C(=O)c1ncccc1[O-] ZINC001391810433 991197605 /nfs/dbraw/zinc/19/76/05/991197605.db2.gz WZUBHVQEYRQQPJ-SECBINFHSA-N -1 1 313.304 0.973 20 0 DCADMM COCCC(C)(C)C(=O)N(C)[C@@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001392111260 991503697 /nfs/dbraw/zinc/50/36/97/991503697.db2.gz BVAOBMKMOYSPIC-JTQLQIEISA-N -1 1 313.402 0.510 20 0 DCADMM CN(CCC(=O)NCC(=O)[O-])[C@H](c1nnc[nH]1)c1ccccc1 ZINC001598469434 992002231 /nfs/dbraw/zinc/00/22/31/992002231.db2.gz AISJUZJCLBMXBS-AWEZNQCLSA-N -1 1 317.349 0.417 20 0 DCADMM COc1ccsc1C(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001392525137 992046071 /nfs/dbraw/zinc/04/60/71/992046071.db2.gz MNOQGCKMQARESK-SSDOTTSWSA-N -1 1 311.367 0.489 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H](F)Cc1ccccc1 ZINC001392534937 992059399 /nfs/dbraw/zinc/05/93/99/992059399.db2.gz GAWOJFPGHNQWHF-PWSUYJOCSA-N -1 1 321.356 0.685 20 0 DCADMM CS(=O)(=O)N1CCN(C[C@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC001599756676 992063390 /nfs/dbraw/zinc/06/33/90/992063390.db2.gz FKMVZQBUNXFLGF-NEPJUHHUSA-N -1 1 304.412 0.455 20 0 DCADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001392602942 992149786 /nfs/dbraw/zinc/14/97/86/992149786.db2.gz PYHBLJYBLLUKNN-YUMQZZPRSA-N -1 1 321.385 0.248 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(C2CC2)cn1 ZINC001392616870 992162866 /nfs/dbraw/zinc/16/28/66/992162866.db2.gz SOYODEOBBWRGSB-VIFPVBQESA-N -1 1 316.365 0.691 20 0 DCADMM CC(C)CCn1cc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)nn1 ZINC001591274681 992197054 /nfs/dbraw/zinc/19/70/54/992197054.db2.gz ZZUNXZFQJPLOKB-GFCCVEGCSA-N -1 1 323.397 0.413 20 0 DCADMM C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H](C)C1CCC1 ZINC001392682060 992257425 /nfs/dbraw/zinc/25/74/25/992257425.db2.gz WNVOXFFMVIGDSB-MNOVXSKESA-N -1 1 309.414 0.481 20 0 DCADMM C[C@@H](CNC(=O)Cc1ccon1)NC(=O)c1ncccc1[O-] ZINC001392772974 992374981 /nfs/dbraw/zinc/37/49/81/992374981.db2.gz HOGCAFKJGCWYST-VIFPVBQESA-N -1 1 304.306 0.252 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC1(NCc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001392882998 992493299 /nfs/dbraw/zinc/49/32/99/992493299.db2.gz FHUHOZRQMDACLD-JQWIXIFHSA-N -1 1 315.377 0.417 20 0 DCADMM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@]1(C)C[C@H](O)CN1C ZINC001598510496 992563461 /nfs/dbraw/zinc/56/34/61/992563461.db2.gz WAVNOFDUGZILAW-BBRMVZONSA-N -1 1 306.362 0.798 20 0 DCADMM CN1C[C@H]2[C@@H](CCN2S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001598574885 993260883 /nfs/dbraw/zinc/26/08/83/993260883.db2.gz MABWLPCELSMOFM-RHYQMDGZSA-N -1 1 302.396 0.205 20 0 DCADMM CCc1ocnc1C(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001393922166 993344323 /nfs/dbraw/zinc/34/43/23/993344323.db2.gz NONGCZZTLKHUHI-SFYZADRCSA-N -1 1 308.342 0.357 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC001393930461 993352574 /nfs/dbraw/zinc/35/25/74/993352574.db2.gz VCMXBALYOOAENT-RNFRBKRXSA-N -1 1 312.761 0.788 20 0 DCADMM CCc1ccnc(C(=O)N[C@@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001393958553 993373109 /nfs/dbraw/zinc/37/31/09/993373109.db2.gz ZUOCBTXIPVYDGE-ZJUUUORDSA-N -1 1 318.381 0.764 20 0 DCADMM CN1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001598600009 993562685 /nfs/dbraw/zinc/56/26/85/993562685.db2.gz YTSGRPTTXRTLQB-RYUDHWBXSA-N -1 1 316.423 0.740 20 0 DCADMM COc1ccc(F)cc1CNCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599584823 993598873 /nfs/dbraw/zinc/59/88/73/993598873.db2.gz SONJPHIPDQYZAL-NWDGAFQWSA-N -1 1 310.325 0.761 20 0 DCADMM CN1CCN(C(=O)c2coc(C(F)(F)F)n2)C[C@@H](C(=O)[O-])C1 ZINC001598613181 993822547 /nfs/dbraw/zinc/82/25/47/993822547.db2.gz LMDXNZDTWJJMRQ-ZETCQYMHSA-N -1 1 321.255 0.782 20 0 DCADMM CN1CCN(C2CN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)C2)CC1 ZINC001598616341 993887983 /nfs/dbraw/zinc/88/79/83/993887983.db2.gz QKCNXQUKVHZVMM-UHFFFAOYSA-N -1 1 321.421 0.480 20 0 DCADMM Cc1nn(C)cc1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001399922803 993933109 /nfs/dbraw/zinc/93/31/09/993933109.db2.gz IVUHBJNEQOLOAC-SECBINFHSA-N -1 1 317.349 0.377 20 0 DCADMM CN1CCN(S(=O)(=O)Cc2ccccc2)C[C@H](C(=O)[O-])C1 ZINC001598621400 994012117 /nfs/dbraw/zinc/01/21/17/994012117.db2.gz PZMCETUORLZYML-CYBMUJFWSA-N -1 1 312.391 0.465 20 0 DCADMM Cn1[n-]c(CN(CCNC(=O)c2ccoc2)C2CC2)nc1=O ZINC001399992664 994030343 /nfs/dbraw/zinc/03/03/43/994030343.db2.gz YVXMSDZIDACTAS-UHFFFAOYSA-N -1 1 305.338 0.096 20 0 DCADMM Cn1[n-]c(CN(CCNC(=O)[C@H]2CC23CCC3)C2CC2)nc1=O ZINC001400028129 994069369 /nfs/dbraw/zinc/06/93/69/994069369.db2.gz JPXNVTFIEDONRN-GFCCVEGCSA-N -1 1 319.409 0.379 20 0 DCADMM C[C@H](N[C@H](C[C@@H]1CCCO1)C(=O)[O-])C(=O)NC[C@@H]1CCCO1 ZINC001593203242 994184428 /nfs/dbraw/zinc/18/44/28/994184428.db2.gz CKMAQKOYUZTVSI-ZDEQEGDKSA-N -1 1 314.382 0.282 20 0 DCADMM C[C@H](N[C@H](C[C@@H]1CCCO1)C(=O)[O-])C(=O)NC[C@H]1CCCO1 ZINC001593203241 994184834 /nfs/dbraw/zinc/18/48/34/994184834.db2.gz CKMAQKOYUZTVSI-WUHRBBMRSA-N -1 1 314.382 0.282 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@@H]1CCCOC1 ZINC001395061266 994399065 /nfs/dbraw/zinc/39/90/65/994399065.db2.gz ADQXLVTUQKVZSX-NWDGAFQWSA-N -1 1 321.377 0.791 20 0 DCADMM C[C@H](CNC(=O)Cc1ccc[nH]1)N(C)C(=O)c1ncccc1[O-] ZINC001395094266 994427510 /nfs/dbraw/zinc/42/75/10/994427510.db2.gz DSMAXZRAHOVHRR-LLVKDONJSA-N -1 1 316.361 0.935 20 0 DCADMM CNC(=O)NC[C@@H]1COCCN1C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598652449 994466009 /nfs/dbraw/zinc/46/60/09/994466009.db2.gz DJUUXXKSXBHZRX-UPJWGTAASA-N -1 1 313.398 0.507 20 0 DCADMM C[C@@H](NC[C@]1(CO)COCCN1C)c1ncc(C(=O)[O-])s1 ZINC001593250606 994486784 /nfs/dbraw/zinc/48/67/84/994486784.db2.gz VGCNXWHXTYNJRU-RNCFNFMXSA-N -1 1 315.395 0.185 20 0 DCADMM CNC(=O)c1cccc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001598659928 994579618 /nfs/dbraw/zinc/57/96/18/994579618.db2.gz FLVJYRCEJDSDDG-AWEZNQCLSA-N -1 1 306.362 0.704 20 0 DCADMM COc1cccc(C[C@H](N)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC001599665899 994729274 /nfs/dbraw/zinc/72/92/74/994729274.db2.gz LWUQEMZJTKYLCV-JSGCOSHPSA-N -1 1 306.362 0.888 20 0 DCADMM COc1cccc([C@H]2CN(CC(=O)NCCC(=O)[O-])CCN2)c1 ZINC001599666377 994736858 /nfs/dbraw/zinc/73/68/58/994736858.db2.gz WHDOSPGEVHWUAV-CQSZACIVSA-N -1 1 321.377 0.232 20 0 DCADMM O=S(=O)([N-][C@@H]1COC[C@@H]1O)c1cc2cc(F)ccc2o1 ZINC001464207645 1015888624 /nfs/dbraw/zinc/88/86/24/1015888624.db2.gz GGEALMJCEDXWKH-ZJUUUORDSA-N -1 1 301.295 0.610 20 0 DCADMM CNS(=O)(=O)c1cccc2c1CCN([C@@H](C(=O)[O-])C1CC1)C2 ZINC001598675771 994841328 /nfs/dbraw/zinc/84/13/28/994841328.db2.gz KBCMPTZERVZRLS-CQSZACIVSA-N -1 1 324.402 0.816 20 0 DCADMM CC[C@H](CNC(=O)CCc1cc(C)on1)NCc1n[nH]c(=O)[n-]1 ZINC001400845810 995002459 /nfs/dbraw/zinc/00/24/59/995002459.db2.gz HHGBRBYQWREPIL-SNVBAGLBSA-N -1 1 322.369 0.424 20 0 DCADMM CC(C)NS(=O)(=O)CCNC(=O)c1cccc([O-])c1F ZINC001464512142 1015915806 /nfs/dbraw/zinc/91/58/06/1015915806.db2.gz JQJFZFYPJDKEOY-UHFFFAOYSA-N -1 1 304.343 0.589 20 0 DCADMM C[C@](CNCc1n[nH]c(=O)[n-]1)(NC(=O)c1ccon1)C1CC1 ZINC001400987613 995102840 /nfs/dbraw/zinc/10/28/40/995102840.db2.gz DUFIHJFCIOBGNE-CYBMUJFWSA-N -1 1 306.326 0.187 20 0 DCADMM CCC(=O)N(C)C[C@@H](O)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001395959648 995109895 /nfs/dbraw/zinc/10/98/95/995109895.db2.gz 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313.377 0.833 20 0 DCADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001494203239 1020074050 /nfs/dbraw/zinc/07/40/50/1020074050.db2.gz ZOPJLVZCBWBXOD-PHIMTYICSA-N -1 1 321.377 0.979 20 0 DCADMM Cc1nc(-c2nn[n-]n2)n(CCCS(=O)(=O)C(C)C)c1C ZINC001606021721 1170053136 /nfs/dbraw/zinc/05/31/36/1170053136.db2.gz ZPIPAGSZCYCIER-UHFFFAOYSA-N -1 1 312.399 0.893 20 0 DCADMM CN1CCN(C(=O)CSc2ccncc2)C[C@H](C(=O)[O-])C1 ZINC001606233723 1170128785 /nfs/dbraw/zinc/12/87/85/1170128785.db2.gz ZKVMXSLESSSQQA-LLVKDONJSA-N -1 1 309.391 0.649 20 0 DCADMM CO[C@@H]1CCN(C(=O)CN(C)[C@@H]2CCSC2)[C@H](C(=O)[O-])C1 ZINC001606749635 1170277790 /nfs/dbraw/zinc/27/77/90/1170277790.db2.gz DZAZGBVKPSYFSI-UTUOFQBUSA-N -1 1 316.423 0.514 20 0 DCADMM CON(C)C(=O)CN1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC001606990128 1170348555 /nfs/dbraw/zinc/34/85/55/1170348555.db2.gz MPRBAANWEFFONX-SRVKXCTJSA-N -1 1 300.355 0.350 20 0 DCADMM CS(=O)(=O)C1(CNCc2ccccc2OCC(=O)[O-])CC1 ZINC001607365936 1170437833 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CC[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])C[C@@H](C)O1 ZINC000343588793 415648033 /nfs/dbraw/zinc/64/80/33/415648033.db2.gz RXEVCWXSZRPBIY-MNOVXSKESA-N -1 1 307.350 0.543 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cnc(C)s2)o1 ZINC000097727088 415590529 /nfs/dbraw/zinc/59/05/29/415590529.db2.gz KCPYIEFDPUDBAH-UHFFFAOYSA-N -1 1 315.376 0.883 20 0 DCADMM CC(C)N1C[C@H](NC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1=O ZINC000287318772 415654178 /nfs/dbraw/zinc/65/41/78/415654178.db2.gz WGYUXPCBUZBQCN-IFYDOICBSA-N -1 1 316.365 0.473 20 0 DCADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(C)CCN(C)C ZINC000107886041 415674671 /nfs/dbraw/zinc/67/46/71/415674671.db2.gz YSBUXPDEHVCSQQ-UHFFFAOYSA-N -1 1 300.380 0.875 20 0 DCADMM COC[C@@H]([N-]S(=O)(=O)c1c(C)onc1N)[C@H]1CCCO1 ZINC000289889948 415732922 /nfs/dbraw/zinc/73/29/22/415732922.db2.gz OZBMBAJFSRLYES-RKDXNWHRSA-N -1 1 305.356 0.038 20 0 DCADMM O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1S(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000333798395 415741711 /nfs/dbraw/zinc/74/17/11/415741711.db2.gz 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/nfs/dbraw/zinc/30/91/07/604309107.db2.gz IGVQBPVUMZSJGS-SNVBAGLBSA-N -1 1 322.409 0.695 20 0 DCADMM COCc1nc2n(n1)CCC[C@H]2NC1CCN(C(=O)[O-])CC1 ZINC000829055499 604526086 /nfs/dbraw/zinc/52/60/86/604526086.db2.gz LZMGPCPPIBEGKA-LLVKDONJSA-N -1 1 309.370 0.991 20 0 DCADMM CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830941014 604540434 /nfs/dbraw/zinc/54/04/34/604540434.db2.gz PRNLTZIWIPBMCA-SECBINFHSA-N -1 1 311.363 0.595 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C1=Cc2ccccc2OC1 ZINC000833767913 604902000 /nfs/dbraw/zinc/90/20/00/604902000.db2.gz UXRNZMRRGHYCHL-ZDUSSCGKSA-N -1 1 313.313 0.998 20 0 DCADMM CC(C)C[C@H](NC(=O)CN(C)[C@@H](CO)C(C)(C)C)C(=O)[O-] ZINC000833477639 604964062 /nfs/dbraw/zinc/96/40/62/604964062.db2.gz LPVULGJKIGJWKH-RYUDHWBXSA-N -1 1 302.415 0.941 20 0 DCADMM CN1CCC(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000833697673 605014792 /nfs/dbraw/zinc/01/47/92/605014792.db2.gz INWTZLJJEJMXNA-UHFFFAOYSA-N -1 1 316.354 0.896 20 0 DCADMM 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605507299 /nfs/dbraw/zinc/50/72/99/605507299.db2.gz RZZZGCLIWUIBBI-VIFPVBQESA-N -1 1 319.321 0.829 20 0 DCADMM O=C([O-])c1cn(C2CN(C(=O)c3cccc4c[nH]nc43)C2)nn1 ZINC000780320182 605537072 /nfs/dbraw/zinc/53/70/72/605537072.db2.gz WIFTWKWJIKGFSB-UHFFFAOYSA-N -1 1 312.289 0.550 20 0 DCADMM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)NCCc1nc[nH]n1 ZINC000831708758 605748828 /nfs/dbraw/zinc/74/88/28/605748828.db2.gz KMALQZNRAYJACI-CYBMUJFWSA-N -1 1 315.333 0.741 20 0 DCADMM O=C([O-])N[C@@H]1CCC[N@@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000834181906 605807023 /nfs/dbraw/zinc/80/70/23/605807023.db2.gz KKORQOLPHGJMQB-CYBMUJFWSA-N -1 1 307.350 0.966 20 0 DCADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)C1 ZINC000834166928 605966146 /nfs/dbraw/zinc/96/61/46/605966146.db2.gz HVEHKQOLQXKSPG-HBNTYKKESA-N -1 1 322.369 0.732 20 0 DCADMM CC(C)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820133968 606138908 /nfs/dbraw/zinc/13/89/08/606138908.db2.gz UVGOWQVBEIQLHC-ZETCQYMHSA-N -1 1 309.351 0.998 20 0 DCADMM CC(C)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820133968 606138910 /nfs/dbraw/zinc/13/89/10/606138910.db2.gz UVGOWQVBEIQLHC-ZETCQYMHSA-N -1 1 309.351 0.998 20 0 DCADMM CN(C[C@@H]1CCOC1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821598123 606170133 /nfs/dbraw/zinc/17/01/33/606170133.db2.gz RCAHJPCGOPUISG-QMMMGPOBSA-N -1 1 306.330 0.100 20 0 DCADMM CN(C[C@@H]1CCOC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821598123 606170134 /nfs/dbraw/zinc/17/01/34/606170134.db2.gz RCAHJPCGOPUISG-QMMMGPOBSA-N -1 1 306.330 0.100 20 0 DCADMM COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821653399 606297686 /nfs/dbraw/zinc/29/76/86/606297686.db2.gz AJKOWLWBSQVHLK-HTQZYQBOSA-N -1 1 303.278 0.320 20 0 DCADMM O=C(CNc1nccnc1-c1nn[n-]n1)OC1CCCCC1 ZINC000823014377 606423518 /nfs/dbraw/zinc/42/35/18/606423518.db2.gz LSUFVQSHKHIMEB-UHFFFAOYSA-N -1 1 303.326 0.945 20 0 DCADMM Cc1nnc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)n1N ZINC000822514086 606445438 /nfs/dbraw/zinc/44/54/38/606445438.db2.gz 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CCc1nn(C[C@@H]2CCCOC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517109 606770443 /nfs/dbraw/zinc/77/04/43/606770443.db2.gz GLOXJQWBMBBUSW-JTQLQIEISA-N -1 1 318.381 0.975 20 0 DCADMM CCOC(=O)C[C@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821325722 606772249 /nfs/dbraw/zinc/77/22/49/606772249.db2.gz KQBPABPESDVRGX-ZETCQYMHSA-N -1 1 322.329 0.063 20 0 DCADMM CCOC(=O)C[C@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821325722 606772250 /nfs/dbraw/zinc/77/22/50/606772250.db2.gz KQBPABPESDVRGX-ZETCQYMHSA-N -1 1 322.329 0.063 20 0 DCADMM CCc1nn(CC(=O)CCOC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517693 606784476 /nfs/dbraw/zinc/78/44/76/606784476.db2.gz MSVGFTBWMOSZMU-UHFFFAOYSA-N -1 1 320.353 0.154 20 0 DCADMM COC(C)(C)CN(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821672237 606956793 /nfs/dbraw/zinc/95/67/93/606956793.db2.gz DDZHYHSHTUVLOO-UHFFFAOYSA-N -1 1 308.346 0.489 20 0 DCADMM COC(C)(C)CN(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821672237 606956795 /nfs/dbraw/zinc/95/67/95/606956795.db2.gz DDZHYHSHTUVLOO-UHFFFAOYSA-N 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CCOC(=O)N1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000825518386 607897943 /nfs/dbraw/zinc/89/79/43/607897943.db2.gz YMWPXLPRARERJA-UHFFFAOYSA-N -1 1 317.353 0.930 20 0 DCADMM CCOC(=O)N1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000825518386 607897944 /nfs/dbraw/zinc/89/79/44/607897944.db2.gz YMWPXLPRARERJA-UHFFFAOYSA-N -1 1 317.353 0.930 20 0 DCADMM CN(CC(=O)NCc1ccco1)c1cccc(-c2nnn[n-]2)n1 ZINC000825892594 607902107 /nfs/dbraw/zinc/90/21/07/607902107.db2.gz PQVBIDLSJPKFKL-UHFFFAOYSA-N -1 1 313.321 0.607 20 0 DCADMM CN(CC(=O)NCc1ccco1)c1cccc(-c2nn[n-]n2)n1 ZINC000825892594 607902108 /nfs/dbraw/zinc/90/21/08/607902108.db2.gz PQVBIDLSJPKFKL-UHFFFAOYSA-N -1 1 313.321 0.607 20 0 DCADMM CN(c1cc(-c2nnn[n-]2)nc2ccccc21)[C@@H]1CCNC1=O ZINC000826004241 607969642 /nfs/dbraw/zinc/96/96/42/607969642.db2.gz PHKZMFBSRDGHNJ-GFCCVEGCSA-N -1 1 309.333 0.740 20 0 DCADMM CN(c1cc(-c2nn[n-]n2)nc2ccccc21)[C@@H]1CCNC1=O ZINC000826004241 607969643 /nfs/dbraw/zinc/96/96/43/607969643.db2.gz PHKZMFBSRDGHNJ-GFCCVEGCSA-N -1 1 309.333 0.740 20 0 DCADMM CC(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824178355 607988994 /nfs/dbraw/zinc/98/89/94/607988994.db2.gz QWRXBAOSRDBZGM-UHFFFAOYSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824178355 607988995 /nfs/dbraw/zinc/98/89/95/607988995.db2.gz QWRXBAOSRDBZGM-UHFFFAOYSA-N -1 1 316.369 0.398 20 0 DCADMM CCC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000825251820 608010095 /nfs/dbraw/zinc/01/00/95/608010095.db2.gz DIVZMGDZFOUPNN-LLVKDONJSA-N -1 1 302.338 0.903 20 0 DCADMM CCC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000825251820 608010096 /nfs/dbraw/zinc/01/00/96/608010096.db2.gz DIVZMGDZFOUPNN-LLVKDONJSA-N -1 1 302.338 0.903 20 0 DCADMM C[C@H](Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O)c1ccccc1 ZINC000824465665 608095449 /nfs/dbraw/zinc/09/54/49/608095449.db2.gz RCPFSBMZARPRCW-SNVBAGLBSA-N -1 1 312.333 0.531 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H](C3CC3)C2)n1 ZINC000826356722 608119327 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Cc1nc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)no1 ZINC000826324910 608664131 /nfs/dbraw/zinc/66/41/31/608664131.db2.gz IFRPSZMTVMGTNN-LLVKDONJSA-N -1 1 317.309 0.725 20 0 DCADMM Cn1cc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)cn1 ZINC000826360093 608725018 /nfs/dbraw/zinc/72/50/18/608725018.db2.gz XKXCHHTURUWKDT-ZDUSSCGKSA-N -1 1 315.337 0.767 20 0 DCADMM Cn1cc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)cn1 ZINC000826360093 608725020 /nfs/dbraw/zinc/72/50/20/608725020.db2.gz XKXCHHTURUWKDT-ZDUSSCGKSA-N -1 1 315.337 0.767 20 0 DCADMM CCN(CCS(C)(=O)=O)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825424203 608739533 /nfs/dbraw/zinc/73/95/33/608739533.db2.gz AKXBHISXLUYBPP-UHFFFAOYSA-N -1 1 315.424 0.795 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCO[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826346505 609470691 /nfs/dbraw/zinc/47/06/91/609470691.db2.gz OANIEARVYSINPS-IONNQARKSA-N -1 1 306.326 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826346505 609470693 /nfs/dbraw/zinc/47/06/93/609470693.db2.gz 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COC[C@H](NC(=O)c1c[nH]c2ccc(C)cc2c1=O)C(=O)[O-] ZINC001573991390 1163619350 /nfs/dbraw/zinc/61/93/50/1163619350.db2.gz XYAVWNUYRHMWGA-LBPRGKRZSA-N -1 1 304.302 0.666 20 0 DCADMM CC(C)[C@H](C)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574003951 1163621961 /nfs/dbraw/zinc/62/19/61/1163621961.db2.gz LUAIJAJMCXMAKZ-UWVGGRQHSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@H](C)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574003951 1163621963 /nfs/dbraw/zinc/62/19/63/1163621963.db2.gz LUAIJAJMCXMAKZ-UWVGGRQHSA-N -1 1 318.385 0.865 20 0 DCADMM Cc1cc(CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c2ccncc2)n[nH]1 ZINC001574134648 1163645793 /nfs/dbraw/zinc/64/57/93/1163645793.db2.gz MJJKBMOELXSMHD-KGLIPLIRSA-N -1 1 318.333 0.349 20 0 DCADMM Cc1nc(C(=O)N(Cc2nn[nH]n2)CC(C)C)ccc1C(=O)[O-] ZINC001574181993 1163653976 /nfs/dbraw/zinc/65/39/76/1163653976.db2.gz HOCOYJPQSSXMQY-UHFFFAOYSA-N -1 1 318.337 0.900 20 0 DCADMM Cc1nc(NCc2nnc([C@@H]3CCOC3)[nH]2)ncc1C(=O)[O-] ZINC001574191933 1163657713 /nfs/dbraw/zinc/65/77/13/1163657713.db2.gz ISTPPZNKUGQUSH-MRVPVSSYSA-N -1 1 304.310 0.717 20 0 DCADMM Cc1nc(NCc2n[nH]c([C@@H]3CCOC3)n2)ncc1C(=O)[O-] ZINC001574191933 1163657716 /nfs/dbraw/zinc/65/77/16/1163657716.db2.gz ISTPPZNKUGQUSH-MRVPVSSYSA-N -1 1 304.310 0.717 20 0 DCADMM O=C([O-])COc1ccc(CCNC(=O)c2[nH]ncc2F)cc1 ZINC001574371300 1163707717 /nfs/dbraw/zinc/70/77/17/1163707717.db2.gz DVCNKBDPFMZFRI-UHFFFAOYSA-N -1 1 307.281 0.985 20 0 DCADMM O=C([O-])CNC(=O)C1CCN(Cc2cnc(C3CC3)nc2)CC1 ZINC001574372016 1163708279 /nfs/dbraw/zinc/70/82/79/1163708279.db2.gz MTMDTSNYGVINCY-UHFFFAOYSA-N -1 1 318.377 0.767 20 0 DCADMM C[C@H](CCNC(=O)C1CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574595246 1163734194 /nfs/dbraw/zinc/73/41/94/1163734194.db2.gz CNIHIBNBXJYMFS-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CCNC(=O)C1CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574595246 1163734201 /nfs/dbraw/zinc/73/42/01/1163734201.db2.gz CNIHIBNBXJYMFS-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM O=C(NCCNC(=O)C1CCC1)c1cnc(C2CC2)[n-]c1=O ZINC001574799562 1163754473 /nfs/dbraw/zinc/75/44/73/1163754473.db2.gz HFIWKJWFIRBGNU-UHFFFAOYSA-N -1 1 304.350 0.706 20 0 DCADMM C[C@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1C[C@@H]1C ZINC001574811129 1163757719 /nfs/dbraw/zinc/75/77/19/1163757719.db2.gz JPDZTKHJSVOMHQ-AEJSXWLSSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1C[C@@H]1C ZINC001574811129 1163757727 /nfs/dbraw/zinc/75/77/27/1163757727.db2.gz JPDZTKHJSVOMHQ-AEJSXWLSSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574830458 1163762190 /nfs/dbraw/zinc/76/21/90/1163762190.db2.gz QICOWXRLIJLCPD-MRVPVSSYSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574830458 1163762193 /nfs/dbraw/zinc/76/21/93/1163762193.db2.gz QICOWXRLIJLCPD-MRVPVSSYSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574833007 1163763399 /nfs/dbraw/zinc/76/33/99/1163763399.db2.gz YHCNHRBXPJIFJS-SECBINFHSA-N -1 1 318.385 0.644 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574833007 1163763406 /nfs/dbraw/zinc/76/34/06/1163763406.db2.gz YHCNHRBXPJIFJS-SECBINFHSA-N -1 1 318.385 0.644 20 0 DCADMM C[C@@H](CNC(=O)[C@@H](C)C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574837523 1163766289 /nfs/dbraw/zinc/76/62/89/1163766289.db2.gz SBMRFPRWQYBVJR-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@@H](C)C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574837523 1163766295 /nfs/dbraw/zinc/76/62/95/1163766295.db2.gz SBMRFPRWQYBVJR-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@@H](C)C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574835020 1163767272 /nfs/dbraw/zinc/76/72/72/1163767272.db2.gz DJXOUYCPGJLIIA-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@@H](C)C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574835020 1163767278 /nfs/dbraw/zinc/76/72/78/1163767278.db2.gz DJXOUYCPGJLIIA-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC12CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574860568 1163774760 /nfs/dbraw/zinc/77/47/60/1163774760.db2.gz ANDYSTNOTQQHCF-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC12CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574860568 1163774764 /nfs/dbraw/zinc/77/47/64/1163774764.db2.gz ANDYSTNOTQQHCF-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)CNc1nccnc1-c1nnn[n-]1 ZINC001574868132 1163778481 /nfs/dbraw/zinc/77/84/81/1163778481.db2.gz GJDMXSBUINIGCJ-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)CNc1nccnc1-c1nn[n-]n1 ZINC001574868132 1163778487 /nfs/dbraw/zinc/77/84/87/1163778487.db2.gz GJDMXSBUINIGCJ-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CNC(=O)C1CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574869434 1163779606 /nfs/dbraw/zinc/77/96/06/1163779606.db2.gz ZIZNGZHTOUBEPS-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)C1CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574869434 1163779610 /nfs/dbraw/zinc/77/96/10/1163779610.db2.gz ZIZNGZHTOUBEPS-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)CC1(C)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574894084 1163789651 /nfs/dbraw/zinc/78/96/51/1163789651.db2.gz CFBBVCOYBZXQLK-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)CC1(C)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574894084 1163789656 /nfs/dbraw/zinc/78/96/56/1163789656.db2.gz CFBBVCOYBZXQLK-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H]1C[C@@H](C(=O)NCCNC(=O)c2ncccc2[O-])CCO1 ZINC001575058163 1163871077 /nfs/dbraw/zinc/87/10/77/1163871077.db2.gz JOPUDKWDVQWBFL-RYUDHWBXSA-N -1 1 321.377 0.838 20 0 DCADMM CC(C)n1cc(C(=O)NCCNC(=O)c2ncccc2[O-])cn1 ZINC001575060017 1163873965 /nfs/dbraw/zinc/87/39/65/1163873965.db2.gz XVYBACBJQLHVJG-UHFFFAOYSA-N -1 1 317.349 0.724 20 0 DCADMM C[C@@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1cn[nH]c1 ZINC001575298429 1163965053 /nfs/dbraw/zinc/96/50/53/1163965053.db2.gz RIJQEMUGMGHCBV-ZCFIWIBFSA-N -1 1 319.354 0.607 20 0 DCADMM C[C@@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1cn[nH]c1 ZINC001575298429 1163965057 /nfs/dbraw/zinc/96/50/57/1163965057.db2.gz RIJQEMUGMGHCBV-ZCFIWIBFSA-N -1 1 319.354 0.607 20 0 DCADMM C[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001575302226 1163967255 /nfs/dbraw/zinc/96/72/55/1163967255.db2.gz HCEJFRRXTZFQFT-MRVPVSSYSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001575302226 1163967260 /nfs/dbraw/zinc/96/72/60/1163967260.db2.gz HCEJFRRXTZFQFT-MRVPVSSYSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccn(C)n1 ZINC001575303174 1163968883 /nfs/dbraw/zinc/96/88/83/1163968883.db2.gz LMNWBCHIPULGNW-QMMMGPOBSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccn(C)n1 ZINC001575303174 1163968885 /nfs/dbraw/zinc/96/88/85/1163968885.db2.gz LMNWBCHIPULGNW-QMMMGPOBSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1ccnn1C ZINC001575410583 1164003511 /nfs/dbraw/zinc/00/35/11/1164003511.db2.gz QEPFNSKHVPNIRL-SSDOTTSWSA-N -1 1 323.338 0.233 20 0 DCADMM O=C(NCCCNC(=O)c1ncccc1[O-])c1ccc(F)nc1 ZINC001575758798 1164138839 /nfs/dbraw/zinc/13/88/39/1164138839.db2.gz RLKNQEQRPZPIAS-UHFFFAOYSA-N -1 1 318.308 0.871 20 0 DCADMM C[C@]1(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CCOC1=O ZINC001575836279 1164167527 /nfs/dbraw/zinc/16/75/27/1164167527.db2.gz MFUWXODMPKCHFC-LBPRGKRZSA-N -1 1 322.712 0.351 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576076610 1164232084 /nfs/dbraw/zinc/23/20/84/1164232084.db2.gz LTJAASOPOWOWQH-ZJUUUORDSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576076610 1164232089 /nfs/dbraw/zinc/23/20/89/1164232089.db2.gz LTJAASOPOWOWQH-ZJUUUORDSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576076609 1164232300 /nfs/dbraw/zinc/23/23/00/1164232300.db2.gz LTJAASOPOWOWQH-VHSXEESVSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576076609 1164232307 /nfs/dbraw/zinc/23/23/07/1164232307.db2.gz LTJAASOPOWOWQH-VHSXEESVSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576079725 1164234633 /nfs/dbraw/zinc/23/46/33/1164234633.db2.gz YOIMWEIUMSESKZ-NXEZZACHSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576079725 1164234641 /nfs/dbraw/zinc/23/46/41/1164234641.db2.gz YOIMWEIUMSESKZ-NXEZZACHSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576085483 1164235799 /nfs/dbraw/zinc/23/57/99/1164235799.db2.gz NZRRHRFLAMPCFH-XKNYDFJKSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576085483 1164235802 /nfs/dbraw/zinc/23/58/02/1164235802.db2.gz NZRRHRFLAMPCFH-XKNYDFJKSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1=O ZINC001576095642 1164238240 /nfs/dbraw/zinc/23/82/40/1164238240.db2.gz LLIVKHFTQAJEBG-HLTSFMKQSA-N -1 1 316.321 0.199 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1=O ZINC001576095642 1164238248 /nfs/dbraw/zinc/23/82/48/1164238248.db2.gz LLIVKHFTQAJEBG-HLTSFMKQSA-N -1 1 316.321 0.199 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)CC1=O ZINC001576093343 1164238576 /nfs/dbraw/zinc/23/85/76/1164238576.db2.gz BQHMNBOXGFOIGB-JEZHCXPESA-N -1 1 316.321 0.199 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)CC1=O ZINC001576093343 1164238581 /nfs/dbraw/zinc/23/85/81/1164238581.db2.gz BQHMNBOXGFOIGB-JEZHCXPESA-N -1 1 316.321 0.199 20 0 DCADMM C/C=C(/C)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576400115 1164326248 /nfs/dbraw/zinc/32/62/48/1164326248.db2.gz DFPJYILZRCCMNB-WTKPLQERSA-N -1 1 302.342 0.175 20 0 DCADMM C/C=C(/C)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576400115 1164326255 /nfs/dbraw/zinc/32/62/55/1164326255.db2.gz DFPJYILZRCCMNB-WTKPLQERSA-N -1 1 302.342 0.175 20 0 DCADMM CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001576407615 1164330489 /nfs/dbraw/zinc/33/04/89/1164330489.db2.gz ZRYJLVJVJYUJOR-AOOOYVTPSA-N -1 1 314.353 0.246 20 0 DCADMM CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001576407615 1164330502 /nfs/dbraw/zinc/33/05/02/1164330502.db2.gz ZRYJLVJVJYUJOR-AOOOYVTPSA-N -1 1 314.353 0.246 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001576425927 1164340389 /nfs/dbraw/zinc/34/03/89/1164340389.db2.gz JGCLIHBIPNKZHB-NXEZZACHSA-N -1 1 316.369 0.138 20 0 DCADMM CCC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001576441168 1164346232 /nfs/dbraw/zinc/34/62/32/1164346232.db2.gz SMYXXQHTZTVSMT-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001576441168 1164346240 /nfs/dbraw/zinc/34/62/40/1164346240.db2.gz SMYXXQHTZTVSMT-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001576445128 1164347458 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PCSIZTQKBCTUQD-VIFPVBQESA-N -1 1 318.337 0.527 20 0 DCADMM CCOc1nc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)co1 ZINC001578405362 1165001760 /nfs/dbraw/zinc/00/17/60/1165001760.db2.gz HNXVCZOLWMKTMH-UHFFFAOYSA-N -1 1 315.293 0.925 20 0 DCADMM CC[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001578421852 1165010192 /nfs/dbraw/zinc/01/01/92/1165010192.db2.gz DRUPKWJBSAEMQO-NTSWFWBYSA-N -1 1 318.263 0.476 20 0 DCADMM CCn1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC001578774777 1165104376 /nfs/dbraw/zinc/10/43/76/1165104376.db2.gz JXGIUHDNKYNHJN-UHFFFAOYSA-N -1 1 316.329 0.138 20 0 DCADMM CCn1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC001578774777 1165104378 /nfs/dbraw/zinc/10/43/78/1165104378.db2.gz JXGIUHDNKYNHJN-UHFFFAOYSA-N -1 1 316.329 0.138 20 0 DCADMM CCn1cccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)c1=O ZINC001578775160 1165104964 /nfs/dbraw/zinc/10/49/64/1165104964.db2.gz OLWOEIQIEMEZJH-UHFFFAOYSA-N -1 1 314.305 0.571 20 0 DCADMM CCn1cccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)c1=O ZINC001578775160 1165104967 /nfs/dbraw/zinc/10/49/67/1165104967.db2.gz OLWOEIQIEMEZJH-UHFFFAOYSA-N -1 1 314.305 0.571 20 0 DCADMM CN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@H]1CCCCNC1=O ZINC001578945636 1165165907 /nfs/dbraw/zinc/16/59/07/1165165907.db2.gz FBUANNVDBCCBOQ-VIFPVBQESA-N -1 1 320.378 0.669 20 0 DCADMM CN(C[C@H](O)c1cccnc1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579064051 1165197078 /nfs/dbraw/zinc/19/70/78/1165197078.db2.gz TVVORDFIKGJTHQ-JTQLQIEISA-N -1 1 314.305 0.660 20 0 DCADMM CN(C[C@H](O)c1cccnc1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579064051 1165197083 /nfs/dbraw/zinc/19/70/83/1165197083.db2.gz TVVORDFIKGJTHQ-JTQLQIEISA-N -1 1 314.305 0.660 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)[C@H]1CC1(F)F ZINC001579217604 1165240293 /nfs/dbraw/zinc/24/02/93/1165240293.db2.gz QHXLTSDCHYUGLV-SSDOTTSWSA-N -1 1 324.295 0.182 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)[C@H]1CC1(F)F ZINC001579217604 1165240298 /nfs/dbraw/zinc/24/02/98/1165240298.db2.gz QHXLTSDCHYUGLV-SSDOTTSWSA-N -1 1 324.295 0.182 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)c1cc[nH]c1 ZINC001579216885 1165240646 /nfs/dbraw/zinc/24/06/46/1165240646.db2.gz OSZGNPGGHFQHRI-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)c1cc[nH]c1 ZINC001579216885 1165240656 /nfs/dbraw/zinc/24/06/56/1165240656.db2.gz OSZGNPGGHFQHRI-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)c1ccoc1 ZINC001579217277 1165241112 /nfs/dbraw/zinc/24/11/12/1165241112.db2.gz XTQUEJDTLGTBLY-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)c1ccoc1 ZINC001579217277 1165241122 /nfs/dbraw/zinc/24/11/22/1165241122.db2.gz XTQUEJDTLGTBLY-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ncncc3-c3nn[n-]n3)[C@@H]2C1 ZINC001579446690 1165311811 /nfs/dbraw/zinc/31/18/11/1165311811.db2.gz NRDDKYCOAPEOOL-CDLYGTGVSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC001579470362 1165319672 /nfs/dbraw/zinc/31/96/72/1165319672.db2.gz DNCNAKAJFQXHMN-XPUUQOCRSA-N -1 1 324.366 0.398 20 0 DCADMM COC(=O)[C@]12C[C@H]1CCCN2Cc1nc(-c2nnn[n-]2)cs1 ZINC001579478964 1165326335 /nfs/dbraw/zinc/32/63/35/1165326335.db2.gz PTNDDOYDPBKAND-OQPBUACISA-N -1 1 320.378 0.851 20 0 DCADMM COC(=O)[C@]12C[C@H]1CCCN2Cc1nc(-c2nn[n-]n2)cs1 ZINC001579478964 1165326339 /nfs/dbraw/zinc/32/63/39/1165326339.db2.gz PTNDDOYDPBKAND-OQPBUACISA-N -1 1 320.378 0.851 20 0 DCADMM COC(=O)c1ccc(N[C@@H]2C[C@@H]3CC[C@H]2O3)c(-c2nnn[n-]2)n1 ZINC001579484719 1165329575 /nfs/dbraw/zinc/32/95/75/1165329575.db2.gz JTXDNHCJIMOOQV-WHGOUJPWSA-N -1 1 316.321 0.780 20 0 DCADMM COC(=O)c1ccc(N[C@@H]2C[C@@H]3CC[C@H]2O3)c(-c2nn[n-]n2)n1 ZINC001579484719 1165329579 /nfs/dbraw/zinc/32/95/79/1165329579.db2.gz JTXDNHCJIMOOQV-WHGOUJPWSA-N -1 1 316.321 0.780 20 0 DCADMM COC(=O)c1nccnc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001579492272 1165333560 /nfs/dbraw/zinc/33/35/60/1165333560.db2.gz WSZJHDOCYAZTDB-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1nccnc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001579492272 1165333562 /nfs/dbraw/zinc/33/35/62/1165333562.db2.gz WSZJHDOCYAZTDB-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1oc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1C ZINC001579492320 1165333978 /nfs/dbraw/zinc/33/39/78/1165333978.db2.gz ZAHUIWXSBOEZGS-UHFFFAOYSA-N -1 1 317.265 0.530 20 0 DCADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001579614236 1165359907 /nfs/dbraw/zinc/35/99/07/1165359907.db2.gz DGQBCSNGWOXYGH-VHSXEESVSA-N -1 1 318.337 0.525 20 0 DCADMM COc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)ncn1 ZINC001579935407 1165442827 /nfs/dbraw/zinc/44/28/27/1165442827.db2.gz XNNFGLWHPLXOFI-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)ncn1 ZINC001579935407 1165442833 /nfs/dbraw/zinc/44/28/33/1165442833.db2.gz XNNFGLWHPLXOFI-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1ccc(F)cc1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001580035098 1165479220 /nfs/dbraw/zinc/47/92/20/1165479220.db2.gz ZSIPGHJFICITAM-UHFFFAOYSA-N -1 1 317.284 0.919 20 0 DCADMM COc1ccc(F)cc1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001580035098 1165479224 /nfs/dbraw/zinc/47/92/24/1165479224.db2.gz ZSIPGHJFICITAM-UHFFFAOYSA-N -1 1 317.284 0.919 20 0 DCADMM COc1cccc(F)c1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001580070388 1165491930 /nfs/dbraw/zinc/49/19/30/1165491930.db2.gz XLLHERULXZWYOE-UHFFFAOYSA-N -1 1 303.257 0.482 20 0 DCADMM COc1ccnc(OC)c1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001580096784 1165501412 /nfs/dbraw/zinc/50/14/12/1165501412.db2.gz TUIKYDQYZOYLSG-UHFFFAOYSA-N -1 1 316.281 0.254 20 0 DCADMM COc1ccnc(OC)c1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001580096784 1165501418 /nfs/dbraw/zinc/50/14/18/1165501418.db2.gz TUIKYDQYZOYLSG-UHFFFAOYSA-N -1 1 316.281 0.254 20 0 DCADMM COc1cnc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(F)c1 ZINC001580106748 1165505709 /nfs/dbraw/zinc/50/57/09/1165505709.db2.gz RSHIBPKCSAMZNH-UHFFFAOYSA-N -1 1 318.272 0.395 20 0 DCADMM COc1cnc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(F)c1 ZINC001580106748 1165505717 /nfs/dbraw/zinc/50/57/17/1165505717.db2.gz RSHIBPKCSAMZNH-UHFFFAOYSA-N -1 1 318.272 0.395 20 0 DCADMM COc1ncc(NC(=O)NC[C@@H](O)C2CC2)cc1-c1nn[n-]n1 ZINC001580136931 1165515728 /nfs/dbraw/zinc/51/57/28/1165515728.db2.gz TXVAQYIZMOYKKZ-SNVBAGLBSA-N -1 1 319.325 0.163 20 0 DCADMM CS[C@H](C)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001580193023 1165534037 /nfs/dbraw/zinc/53/40/37/1165534037.db2.gz VTIHREFPNYWLAJ-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001580193023 1165534042 /nfs/dbraw/zinc/53/40/42/1165534042.db2.gz VTIHREFPNYWLAJ-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CC1(C)C ZINC001580285151 1165558029 /nfs/dbraw/zinc/55/80/29/1165558029.db2.gz IJBFIBIMZFVEEU-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CC1(C)C ZINC001580285151 1165558037 /nfs/dbraw/zinc/55/80/37/1165558037.db2.gz IJBFIBIMZFVEEU-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC1(C)CC1 ZINC001580295503 1165562117 /nfs/dbraw/zinc/56/21/17/1165562117.db2.gz OVCXEPBLVDNEHJ-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC1(C)CC1 ZINC001580295503 1165562122 /nfs/dbraw/zinc/56/21/22/1165562122.db2.gz OVCXEPBLVDNEHJ-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CC1(F)F ZINC001580295555 1165562277 /nfs/dbraw/zinc/56/22/77/1165562277.db2.gz RMWYDTKHRHLJKN-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CC1(F)F ZINC001580295555 1165562282 /nfs/dbraw/zinc/56/22/82/1165562282.db2.gz RMWYDTKHRHLJKN-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccoc1 ZINC001580419864 1165597488 /nfs/dbraw/zinc/59/74/88/1165597488.db2.gz QAMNEBAYVZIOCB-MRVPVSSYSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccoc1 ZINC001580419864 1165597498 /nfs/dbraw/zinc/59/74/98/1165597498.db2.gz QAMNEBAYVZIOCB-MRVPVSSYSA-N -1 1 314.309 0.480 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCOCC1(C)C ZINC001580599761 1165651101 /nfs/dbraw/zinc/65/11/01/1165651101.db2.gz DYFYTBXPARLFJQ-UHFFFAOYSA-N -1 1 318.337 0.527 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H]1CC[C@H](C)O1 ZINC001580604242 1165652752 /nfs/dbraw/zinc/65/27/52/1165652752.db2.gz OZHBKKISDZDUSW-IUCAKERBSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC001580602700 1165653444 /nfs/dbraw/zinc/65/34/44/1165653444.db2.gz RIYFAVHLKGTGCB-IUCAKERBSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCc1ccco1 ZINC001580605742 1165654112 /nfs/dbraw/zinc/65/41/12/1165654112.db2.gz HCSYEWIVLSVXHU-UHFFFAOYSA-N -1 1 314.305 0.841 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)NC(=O)C(C)(C)C)n1 ZINC001580747339 1165709647 /nfs/dbraw/zinc/70/96/47/1165709647.db2.gz XAVNKWDBFBKRSR-SECBINFHSA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)NC(=O)C(C)(C)C)n1 ZINC001580747339 1165709655 /nfs/dbraw/zinc/70/96/55/1165709655.db2.gz XAVNKWDBFBKRSR-SECBINFHSA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cncnc1N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001581342298 1165815017 /nfs/dbraw/zinc/81/50/17/1165815017.db2.gz OCXVMGZLAPBVGV-UHFFFAOYSA-N -1 1 314.357 0.339 20 0 DCADMM Cc1csc(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001581386063 1165819768 /nfs/dbraw/zinc/81/97/68/1165819768.db2.gz STADSUARIPATCW-MRVPVSSYSA-N -1 1 318.366 0.706 20 0 DCADMM Cc1nc(N[C@H](Cc2ccccc2)C(N)=O)cc(-c2nnn[n-]2)n1 ZINC001581497310 1165836195 /nfs/dbraw/zinc/83/61/95/1165836195.db2.gz UENLLPHKWGJERY-LLVKDONJSA-N -1 1 324.348 0.474 20 0 DCADMM Cc1nc(N[C@H](Cc2ccccc2)C(N)=O)cc(-c2nn[n-]n2)n1 ZINC001581497310 1165836200 /nfs/dbraw/zinc/83/62/00/1165836200.db2.gz UENLLPHKWGJERY-LLVKDONJSA-N -1 1 324.348 0.474 20 0 DCADMM Cc1nccnc1N(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001581565635 1165843664 /nfs/dbraw/zinc/84/36/64/1165843664.db2.gz BMFQCZGZGBEDFQ-UHFFFAOYSA-N -1 1 310.321 0.566 20 0 DCADMM Cc1nccnc1N(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001581565635 1165843674 /nfs/dbraw/zinc/84/36/74/1165843674.db2.gz BMFQCZGZGBEDFQ-UHFFFAOYSA-N -1 1 310.321 0.566 20 0 DCADMM Cc1nnc2n1CCN(C(=O)c1coc(-c3nnn[n-]3)c1)[C@@H]2C ZINC001581611982 1165849455 /nfs/dbraw/zinc/84/94/55/1165849455.db2.gz IGCRHTCBMBVCHE-SSDOTTSWSA-N -1 1 314.309 0.577 20 0 DCADMM Cc1nnc2n1CCN(C(=O)c1coc(-c3nn[n-]n3)c1)[C@@H]2C ZINC001581611982 1165849465 /nfs/dbraw/zinc/84/94/65/1165849465.db2.gz IGCRHTCBMBVCHE-SSDOTTSWSA-N -1 1 314.309 0.577 20 0 DCADMM Cc1noc(CCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001581635192 1165855240 /nfs/dbraw/zinc/85/52/40/1165855240.db2.gz HYAKCGXZUNHVBQ-UHFFFAOYSA-N -1 1 314.309 0.202 20 0 DCADMM Cc1noc(CCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001581635192 1165855244 /nfs/dbraw/zinc/85/52/44/1165855244.db2.gz HYAKCGXZUNHVBQ-UHFFFAOYSA-N -1 1 314.309 0.202 20 0 DCADMM Cc1nsc(NC(=O)NCC[S@@](C)=O)c1-c1nnn[n-]1 ZINC001581685568 1165860203 /nfs/dbraw/zinc/86/02/03/1165860203.db2.gz ORKCLUXUXDSZRA-HXUWFJFHSA-N -1 1 315.384 0.132 20 0 DCADMM Cc1nsc(NC(=O)NCC[S@@](C)=O)c1-c1nn[n-]n1 ZINC001581685568 1165860207 /nfs/dbraw/zinc/86/02/07/1165860207.db2.gz ORKCLUXUXDSZRA-HXUWFJFHSA-N -1 1 315.384 0.132 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001581726848 1165861398 /nfs/dbraw/zinc/86/13/98/1165861398.db2.gz WJVXUQTYVSGYKN-UWVGGRQHSA-N -1 1 320.328 0.636 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001581726848 1165861402 /nfs/dbraw/zinc/86/14/02/1165861402.db2.gz WJVXUQTYVSGYKN-UWVGGRQHSA-N -1 1 320.328 0.636 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)n1 ZINC001581754139 1165867458 /nfs/dbraw/zinc/86/74/58/1165867458.db2.gz IIDJGGXYCHRENO-JGVFFNPUSA-N -1 1 324.295 0.719 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)n1 ZINC001581754139 1165867463 /nfs/dbraw/zinc/86/74/63/1165867463.db2.gz IIDJGGXYCHRENO-JGVFFNPUSA-N -1 1 324.295 0.719 20 0 DCADMM F[C@@H]1COc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001581851149 1165887570 /nfs/dbraw/zinc/88/75/70/1165887570.db2.gz LRHZXLHWGSLLFW-BXKDBHETSA-N -1 1 313.296 0.962 20 0 DCADMM O=C(C1CC1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001581922174 1165915523 /nfs/dbraw/zinc/91/55/23/1165915523.db2.gz DHOWZCQYNBHCBI-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001581922174 1165915529 /nfs/dbraw/zinc/91/55/29/1165915529.db2.gz DHOWZCQYNBHCBI-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001581965911 1165924444 /nfs/dbraw/zinc/92/44/44/1165924444.db2.gz QKJHJDZCSRXWKW-MRVPVSSYSA-N -1 1 324.304 0.654 20 0 DCADMM O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001581965911 1165924451 /nfs/dbraw/zinc/92/44/51/1165924451.db2.gz QKJHJDZCSRXWKW-MRVPVSSYSA-N -1 1 324.304 0.654 20 0 DCADMM O=C(CCCF)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001582041313 1165942139 /nfs/dbraw/zinc/94/21/39/1165942139.db2.gz CWJGALNRIWDMOG-SECBINFHSA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CCCF)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001582041313 1165942142 /nfs/dbraw/zinc/94/21/42/1165942142.db2.gz CWJGALNRIWDMOG-SECBINFHSA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CCCF)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001582045217 1165943560 /nfs/dbraw/zinc/94/35/60/1165943560.db2.gz OOEBBEFOCDQZPX-SECBINFHSA-N -1 1 320.332 0.101 20 0 DCADMM O=C(CCCF)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001582045217 1165943567 /nfs/dbraw/zinc/94/35/67/1165943567.db2.gz OOEBBEFOCDQZPX-SECBINFHSA-N -1 1 320.332 0.101 20 0 DCADMM O=C(CCc1ncccn1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582080432 1165951209 /nfs/dbraw/zinc/95/12/09/1165951209.db2.gz VHKBOGUQDMPQSF-UHFFFAOYSA-N -1 1 315.362 0.967 20 0 DCADMM O=C(CNC(=O)NCc1ccc(-c2nn[n-]n2)s1)NC1CC1 ZINC001582108615 1165957627 /nfs/dbraw/zinc/95/76/27/1165957627.db2.gz NBRSNJDUZMGAAQ-UHFFFAOYSA-N -1 1 321.366 0.006 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCO[C@H]1C1CC1 ZINC001582139056 1165967546 /nfs/dbraw/zinc/96/75/46/1165967546.db2.gz PYSVBSBKPUUQNA-RISCZKNCSA-N -1 1 314.349 0.488 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCO[C@H]1C1CC1 ZINC001582139056 1165967555 /nfs/dbraw/zinc/96/75/55/1165967555.db2.gz PYSVBSBKPUUQNA-RISCZKNCSA-N -1 1 314.349 0.488 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)c1ccc2c(c1)OCCO2 ZINC001582189006 1165979437 /nfs/dbraw/zinc/97/94/37/1165979437.db2.gz WYKPDXASOJNKPS-UHFFFAOYSA-N -1 1 313.277 0.112 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)[C@@H]1Cc2ccccc21 ZINC001582198242 1165981368 /nfs/dbraw/zinc/98/13/68/1165981368.db2.gz RVRLVGMUERIFOK-LLVKDONJSA-N -1 1 308.301 0.332 20 0 DCADMM O=C(NC[C@@H](O)c1ccncc1)c1csc(-c2nn[n-]n2)c1 ZINC001582381516 1166008059 /nfs/dbraw/zinc/00/80/59/1166008059.db2.gz LLOPTOAKRHGVCL-SNVBAGLBSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001582422894 1166015567 /nfs/dbraw/zinc/01/55/67/1166015567.db2.gz FEOXWBOTSSOKCY-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001582422894 1166015574 /nfs/dbraw/zinc/01/55/74/1166015574.db2.gz FEOXWBOTSSOKCY-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)C1CC1 ZINC001582515826 1166029342 /nfs/dbraw/zinc/02/93/42/1166029342.db2.gz KZXYIFYDTWSFPY-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)C1CC1 ZINC001582515826 1166029346 /nfs/dbraw/zinc/02/93/46/1166029346.db2.gz KZXYIFYDTWSFPY-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCc1ccc(CCO)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582551649 1166038452 /nfs/dbraw/zinc/03/84/52/1166038452.db2.gz VOYDXZCAGRYDCF-UHFFFAOYSA-N -1 1 324.344 0.727 20 0 DCADMM O=C(NCc1ccc(CCO)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582551649 1166038458 /nfs/dbraw/zinc/03/84/58/1166038458.db2.gz VOYDXZCAGRYDCF-UHFFFAOYSA-N -1 1 324.344 0.727 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H](c2ncon2)C1 ZINC001582701213 1166068384 /nfs/dbraw/zinc/06/83/84/1166068384.db2.gz ISCUNPKVEINDHM-ZETCQYMHSA-N -1 1 317.334 0.941 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H](c2ncon2)C1 ZINC001582701213 1166068387 /nfs/dbraw/zinc/06/83/87/1166068387.db2.gz ISCUNPKVEINDHM-ZETCQYMHSA-N -1 1 317.334 0.941 20 0 DCADMM COCCCC(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001582744489 1166074638 /nfs/dbraw/zinc/07/46/38/1166074638.db2.gz SZDXTZGCKCGPLI-GFCCVEGCSA-N -1 1 321.377 0.935 20 0 DCADMM O=C1C[C@H](Oc2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)N1 ZINC001582760142 1166078783 /nfs/dbraw/zinc/07/87/83/1166078783.db2.gz LWZMWONQGTVRIK-NSHDSACASA-N -1 1 324.304 0.625 20 0 DCADMM O=C1C[C@H](Oc2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)N1 ZINC001582760142 1166078791 /nfs/dbraw/zinc/07/87/91/1166078791.db2.gz LWZMWONQGTVRIK-NSHDSACASA-N -1 1 324.304 0.625 20 0 DCADMM O=C1CN(c2ccnc(-c3nn[n-]n3)n2)[C@H](c2ccccc2)CN1 ZINC001582777417 1166080543 /nfs/dbraw/zinc/08/05/43/1166080543.db2.gz VUWSQZJOMYJGRV-NSHDSACASA-N -1 1 322.332 0.334 20 0 DCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1COC(=O)N1 ZINC001582788552 1166082409 /nfs/dbraw/zinc/08/24/09/1166082409.db2.gz UEIZXQXMVJXWLZ-REOHCLBHSA-N -1 1 315.702 0.024 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@H](O)c1ccc(F)cc1 ZINC001582806519 1166087232 /nfs/dbraw/zinc/08/72/32/1166087232.db2.gz MWESOAZNZCZKDN-JTQLQIEISA-N -1 1 318.268 0.002 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)Cc1cccc(F)c1 ZINC001582808897 1166090058 /nfs/dbraw/zinc/09/00/58/1166090058.db2.gz CQWZBLUSXWOOAL-CYBMUJFWSA-N -1 1 314.324 0.838 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)Cc1cccc(F)c1 ZINC001582808897 1166090065 /nfs/dbraw/zinc/09/00/65/1166090065.db2.gz CQWZBLUSXWOOAL-CYBMUJFWSA-N -1 1 314.324 0.838 20 0 DCADMM OC[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CC[C@H]1O ZINC001582813093 1166094537 /nfs/dbraw/zinc/09/45/37/1166094537.db2.gz WGYCDIGJBUQBCD-PHDIDXHHSA-N -1 1 316.774 0.156 20 0 DCADMM OC[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CC[C@H]1O ZINC001582813093 1166094542 /nfs/dbraw/zinc/09/45/42/1166094542.db2.gz WGYCDIGJBUQBCD-PHDIDXHHSA-N -1 1 316.774 0.156 20 0 DCADMM O[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C[C@@H]1O ZINC001582814657 1166095064 /nfs/dbraw/zinc/09/50/64/1166095064.db2.gz PHHAUZDPNRBLMH-IJRMOIDVSA-N -1 1 313.321 0.106 20 0 DCADMM O[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C[C@@H]1O ZINC001582814657 1166095070 /nfs/dbraw/zinc/09/50/70/1166095070.db2.gz PHHAUZDPNRBLMH-IJRMOIDVSA-N -1 1 313.321 0.106 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(N(C)C)nc3)nc2n1 ZINC001584142875 1166311947 /nfs/dbraw/zinc/31/19/47/1166311947.db2.gz XDLYDXWLXUFUGQ-UHFFFAOYSA-N -1 1 313.321 0.439 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccn2nccc2n1 ZINC001586105289 1166480111 /nfs/dbraw/zinc/48/01/11/1166480111.db2.gz MHQFAPDAWNERRJ-CYBMUJFWSA-N -1 1 320.316 0.762 20 0 DCADMM Cc1ccn2ncc(C(=O)N3CCOC[C@H]3c3nn[n-]n3)c2c1 ZINC001586806232 1166500500 /nfs/dbraw/zinc/50/05/00/1166500500.db2.gz QRFPATXNUHKFNP-LBPRGKRZSA-N -1 1 313.321 0.370 20 0 DCADMM CCOC(=O)C1(C(=O)N2CCC(c3nn[n-]n3)CC2)CCC1 ZINC001587870145 1166511927 /nfs/dbraw/zinc/51/19/27/1166511927.db2.gz PVYWHWHFMOMMQK-UHFFFAOYSA-N -1 1 307.354 0.639 20 0 DCADMM CC(=O)N1CCC(CNc2cccnc2-c2nnn[n-]2)CC1 ZINC001588810625 1166594130 /nfs/dbraw/zinc/59/41/30/1166594130.db2.gz BDCLJWWSTDXDAR-UHFFFAOYSA-N -1 1 301.354 0.932 20 0 DCADMM CC(=O)N1CCC(CNc2cccnc2-c2nn[n-]n2)CC1 ZINC001588810625 1166594138 /nfs/dbraw/zinc/59/41/38/1166594138.db2.gz BDCLJWWSTDXDAR-UHFFFAOYSA-N -1 1 301.354 0.932 20 0 DCADMM CC(=O)N1CC[C@@H](COC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001588812801 1166594156 /nfs/dbraw/zinc/59/41/56/1166594156.db2.gz QSDJFINQILSCFI-SNVBAGLBSA-N -1 1 316.321 0.287 20 0 DCADMM CC(=O)N1CC[C@@H](COC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001588812801 1166594165 /nfs/dbraw/zinc/59/41/65/1166594165.db2.gz QSDJFINQILSCFI-SNVBAGLBSA-N -1 1 316.321 0.287 20 0 DCADMM CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588828102 1166599260 /nfs/dbraw/zinc/59/92/60/1166599260.db2.gz PPCGRACWWWWPIV-MWLCHTKSSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588828102 1166599267 /nfs/dbraw/zinc/59/92/67/1166599267.db2.gz PPCGRACWWWWPIV-MWLCHTKSSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588851917 1166609380 /nfs/dbraw/zinc/60/93/80/1166609380.db2.gz OVDIMVCJXCXKER-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588851917 1166609382 /nfs/dbraw/zinc/60/93/82/1166609382.db2.gz OVDIMVCJXCXKER-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM CC(=O)NCCN(c1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001588864305 1166612002 /nfs/dbraw/zinc/61/20/02/1166612002.db2.gz CUDDWAZNDWMCLR-UHFFFAOYSA-N -1 1 302.342 0.070 20 0 DCADMM CC(=O)NCCN(c1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001588864305 1166612016 /nfs/dbraw/zinc/61/20/16/1166612016.db2.gz CUDDWAZNDWMCLR-UHFFFAOYSA-N -1 1 302.342 0.070 20 0 DCADMM CC(=O)Nc1ccncc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001588883577 1166612465 /nfs/dbraw/zinc/61/24/65/1166612465.db2.gz KRFXWWSJHIJWDS-UHFFFAOYSA-N -1 1 324.304 0.289 20 0 DCADMM CC(=O)Nc1ccncc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001588883577 1166612470 /nfs/dbraw/zinc/61/24/70/1166612470.db2.gz KRFXWWSJHIJWDS-UHFFFAOYSA-N -1 1 324.304 0.289 20 0 DCADMM CC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001588872298 1166613278 /nfs/dbraw/zinc/61/32/78/1166613278.db2.gz OIOZQIZJMVHJPC-XYPYZODXSA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001588872298 1166613285 /nfs/dbraw/zinc/61/32/85/1166613285.db2.gz OIOZQIZJMVHJPC-XYPYZODXSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](C(=O)NC(C1CC1)C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970285 1166623910 /nfs/dbraw/zinc/62/39/10/1166623910.db2.gz GMIMEQKYTGVMSK-SSDOTTSWSA-N -1 1 302.342 0.324 20 0 DCADMM C[C@@H](C(=O)NCC[C@@H]1CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588985026 1166626180 /nfs/dbraw/zinc/62/61/80/1166626180.db2.gz HDRFAMYIEIUGCO-NKWVEPMBSA-N -1 1 312.284 0.181 20 0 DCADMM C[C@@H](C(=O)OC/C(Cl)=C/Cl)n1cnc(-c2nn[n-]n2)n1 ZINC001589025788 1166628893 /nfs/dbraw/zinc/62/88/93/1166628893.db2.gz DPKAELJTZKXQCI-YLNOTJRMSA-N -1 1 318.124 0.881 20 0 DCADMM C[C@@H](C(=O)Nc1cccc(CO)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589018886 1166629055 /nfs/dbraw/zinc/62/90/55/1166629055.db2.gz SHRWMVGTKHYNCP-QMMMGPOBSA-N -1 1 314.309 0.150 20 0 DCADMM CC(C)(C)CNC(=O)COc1ccc(F)nc1-c1nn[n-]n1 ZINC001589128500 1166634714 /nfs/dbraw/zinc/63/47/14/1166634714.db2.gz DDMOCRCOTFOHQG-UHFFFAOYSA-N -1 1 308.317 0.942 20 0 DCADMM CC(C)(C)NC(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC001589140935 1166638473 /nfs/dbraw/zinc/63/84/73/1166638473.db2.gz GDFLBIXEDCBVRD-UHFFFAOYSA-N -1 1 309.351 1.000 20 0 DCADMM CC(C)(C)n1nnc(CNc2cccnc2-c2nnn[n-]2)n1 ZINC001589264422 1166641793 /nfs/dbraw/zinc/64/17/93/1166641793.db2.gz RYGIVBSDKWJFHN-UHFFFAOYSA-N -1 1 300.330 0.615 20 0 DCADMM CC(C)(C)n1nnc(CNc2cccnc2-c2nn[n-]n2)n1 ZINC001589264422 1166641794 /nfs/dbraw/zinc/64/17/94/1166641794.db2.gz RYGIVBSDKWJFHN-UHFFFAOYSA-N -1 1 300.330 0.615 20 0 DCADMM CC(C)(C)n1ncnc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001589264904 1166642710 /nfs/dbraw/zinc/64/27/10/1166642710.db2.gz BMGZQXSUYXSSNL-UHFFFAOYSA-N -1 1 300.330 0.615 20 0 DCADMM CC(C)(C)n1ncnc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001589264904 1166642716 /nfs/dbraw/zinc/64/27/16/1166642716.db2.gz BMGZQXSUYXSSNL-UHFFFAOYSA-N -1 1 300.330 0.615 20 0 DCADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)n1)[C@@]1(O)CCCOC1 ZINC001589292979 1166644739 /nfs/dbraw/zinc/64/47/39/1166644739.db2.gz LSZKAFRGCGAWOS-CQSZACIVSA-N -1 1 319.369 0.058 20 0 DCADMM CC(C)=CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589377209 1166651187 /nfs/dbraw/zinc/65/11/87/1166651187.db2.gz MWFMVMFVVISPRI-UHFFFAOYSA-N -1 1 308.367 0.896 20 0 DCADMM CC(C)=CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589377209 1166651190 /nfs/dbraw/zinc/65/11/90/1166651190.db2.gz MWFMVMFVVISPRI-UHFFFAOYSA-N -1 1 308.367 0.896 20 0 DCADMM CC(C)[C@H](C)N(C)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589437018 1166658395 /nfs/dbraw/zinc/65/83/95/1166658395.db2.gz PQRMZOJTBKORLQ-VIFPVBQESA-N -1 1 307.362 0.144 20 0 DCADMM CC(C)C[C@H]1C(=O)NCCN1Cc1cccc(-c2nn[n-]n2)n1 ZINC001589570119 1166667365 /nfs/dbraw/zinc/66/73/65/1166667365.db2.gz AFAUZVDMPAMDDI-ZDUSSCGKSA-N -1 1 315.381 0.608 20 0 DCADMM CC(C)CCC(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001589582310 1166667838 /nfs/dbraw/zinc/66/78/38/1166667838.db2.gz GMAUDXHIJFFVHK-UHFFFAOYSA-N -1 1 318.385 0.433 20 0 DCADMM CC(C)NC(=O)[C@@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589721213 1166677035 /nfs/dbraw/zinc/67/70/35/1166677035.db2.gz TXXCBGJEKQDAQX-MRVPVSSYSA-N -1 1 304.310 0.332 20 0 DCADMM CC(C)NC(=O)[C@@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589721213 1166677037 /nfs/dbraw/zinc/67/70/37/1166677037.db2.gz TXXCBGJEKQDAQX-MRVPVSSYSA-N -1 1 304.310 0.332 20 0 DCADMM CC(C)c1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nn1C ZINC001589767544 1166685975 /nfs/dbraw/zinc/68/59/75/1166685975.db2.gz JPSSNQNICPABLD-UHFFFAOYSA-N -1 1 315.341 0.709 20 0 DCADMM CC(C)c1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nn1C ZINC001589767544 1166685978 /nfs/dbraw/zinc/68/59/78/1166685978.db2.gz JPSSNQNICPABLD-UHFFFAOYSA-N -1 1 315.341 0.709 20 0 DCADMM C[C@H](C[C@H]1CCOC1)OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589803904 1166690739 /nfs/dbraw/zinc/69/07/39/1166690739.db2.gz VXGRUCSLONHGKD-KXUCPTDWSA-N -1 1 321.341 0.378 20 0 DCADMM C[C@@H](CCNC(=O)c1ccnc(-c2nnn[n-]2)c1)[S@](C)=O ZINC001589826296 1166694963 /nfs/dbraw/zinc/69/49/63/1166694963.db2.gz RQDYCBBSEMVLKV-PPRQPISWSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@@H](CCNC(=O)c1ccnc(-c2nn[n-]n2)c1)[S@](C)=O ZINC001589826296 1166694966 /nfs/dbraw/zinc/69/49/66/1166694966.db2.gz RQDYCBBSEMVLKV-PPRQPISWSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@H](CCO)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589835678 1166698500 /nfs/dbraw/zinc/69/85/00/1166698500.db2.gz YOKJMOKHELVNJV-SSDOTTSWSA-N -1 1 317.396 0.320 20 0 DCADMM C[C@H](CCO)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589835678 1166698503 /nfs/dbraw/zinc/69/85/03/1166698503.db2.gz YOKJMOKHELVNJV-SSDOTTSWSA-N -1 1 317.396 0.320 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589859805 1166703006 /nfs/dbraw/zinc/70/30/06/1166703006.db2.gz GNUWSDRMDREBSO-CIUDSAMLSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589859805 1166703014 /nfs/dbraw/zinc/70/30/14/1166703014.db2.gz GNUWSDRMDREBSO-CIUDSAMLSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1CC1 ZINC001589879565 1166706720 /nfs/dbraw/zinc/70/67/20/1166706720.db2.gz SLRJYYZTJSUGRX-QMMMGPOBSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1CC1 ZINC001589879565 1166706726 /nfs/dbraw/zinc/70/67/26/1166706726.db2.gz SLRJYYZTJSUGRX-QMMMGPOBSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@@H](C[S@@](C)=O)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589888177 1166711766 /nfs/dbraw/zinc/71/17/66/1166711766.db2.gz HLEQPZZPCBPBPG-MWAODPMSSA-N -1 1 309.355 0.150 20 0 DCADMM C[C@@H](C[S@@](C)=O)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589888177 1166711771 /nfs/dbraw/zinc/71/17/71/1166711771.db2.gz HLEQPZZPCBPBPG-MWAODPMSSA-N -1 1 309.355 0.150 20 0 DCADMM C[C@H](Cc1cccnc1)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589901281 1166713383 /nfs/dbraw/zinc/71/33/83/1166713383.db2.gz KQNCFHBCEXFGIG-LLVKDONJSA-N -1 1 323.360 0.947 20 0 DCADMM C[C@H](Cc1cccnc1)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589901281 1166713388 /nfs/dbraw/zinc/71/33/88/1166713388.db2.gz KQNCFHBCEXFGIG-LLVKDONJSA-N -1 1 323.360 0.947 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H](O)C(F)(F)F ZINC001589944338 1166725566 /nfs/dbraw/zinc/72/55/66/1166725566.db2.gz FIOIRLMQPGKGPT-FBCQKBJTSA-N -1 1 321.284 0.970 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H](O)C(F)(F)F ZINC001589944338 1166725571 /nfs/dbraw/zinc/72/55/71/1166725571.db2.gz FIOIRLMQPGKGPT-FBCQKBJTSA-N -1 1 321.284 0.970 20 0 DCADMM C[C@H](O)[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001589994457 1166739931 /nfs/dbraw/zinc/73/99/31/1166739931.db2.gz GMYWBKQBJSKSQS-KWQFWETISA-N -1 1 317.353 0.120 20 0 DCADMM C[C@H](O)[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001589994457 1166739934 /nfs/dbraw/zinc/73/99/34/1166739934.db2.gz GMYWBKQBJSKSQS-KWQFWETISA-N -1 1 317.353 0.120 20 0 DCADMM C[C@@H](O)[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001589997588 1166743623 /nfs/dbraw/zinc/74/36/23/1166743623.db2.gz SCNLJOOWRAEFAS-PELKAZGASA-N -1 1 315.312 0.752 20 0 DCADMM C[C@H](O)C[C@H](C)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589999763 1166745118 /nfs/dbraw/zinc/74/51/18/1166745118.db2.gz ZWTPDNLYOZAGKW-UWVGGRQHSA-N -1 1 304.354 0.327 20 0 DCADMM C[C@H](O)C[C@H](C)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589999763 1166745122 /nfs/dbraw/zinc/74/51/22/1166745122.db2.gz ZWTPDNLYOZAGKW-UWVGGRQHSA-N -1 1 304.354 0.327 20 0 DCADMM C[C@@]1(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC=CCC1 ZINC001590069679 1166763900 /nfs/dbraw/zinc/76/39/00/1166763900.db2.gz GSTNVOCIDXHTMF-CYBMUJFWSA-N -1 1 302.342 0.321 20 0 DCADMM C[C@@]1(C(F)(F)F)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001590072638 1166766062 /nfs/dbraw/zinc/76/60/62/1166766062.db2.gz HVFZLGLCDSQJNG-JTQLQIEISA-N -1 1 315.259 0.814 20 0 DCADMM C[C@@]1(C(F)(F)F)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001590072638 1166766068 /nfs/dbraw/zinc/76/60/68/1166766068.db2.gz HVFZLGLCDSQJNG-JTQLQIEISA-N -1 1 315.259 0.814 20 0 DCADMM CC1(C)C(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1(C)C ZINC001590077459 1166768513 /nfs/dbraw/zinc/76/85/13/1166768513.db2.gz UJGRNODDHOUCIK-UHFFFAOYSA-N -1 1 319.373 0.192 20 0 DCADMM CC1(C)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC[C@H]1O ZINC001590102892 1166774293 /nfs/dbraw/zinc/77/42/93/1166774293.db2.gz BRGZGPPMGWDCHZ-SNVBAGLBSA-N -1 1 317.353 0.886 20 0 DCADMM CC1(C)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC[C@H]1O ZINC001590102892 1166774300 /nfs/dbraw/zinc/77/43/00/1166774300.db2.gz BRGZGPPMGWDCHZ-SNVBAGLBSA-N -1 1 317.353 0.886 20 0 DCADMM CC1=C(C)C[C@@H](C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590160390 1166794087 /nfs/dbraw/zinc/79/40/87/1166794087.db2.gz SBZSCEMEPBACDE-NSHDSACASA-N -1 1 316.369 0.711 20 0 DCADMM C[C@H](C(=O)N1CC(C)(C)C[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590191884 1166805589 /nfs/dbraw/zinc/80/55/89/1166805589.db2.gz JYECKUODEOREBA-RKDXNWHRSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@@H](C(=O)OC[C@H]1CC[C@@H](C)O1)n1cnc(-c2nn[n-]n2)n1 ZINC001590231436 1166819682 /nfs/dbraw/zinc/81/96/82/1166819682.db2.gz QHOOXMLDGVIPBQ-HRDYMLBCSA-N -1 1 307.314 0.130 20 0 DCADMM C[C@H]1CC[C@@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)O1 ZINC001590230579 1166820139 /nfs/dbraw/zinc/82/01/39/1166820139.db2.gz MCHZXKHEVGCSPG-YUMQZZPRSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@H]1CC[C@@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)O1 ZINC001590230579 1166820147 /nfs/dbraw/zinc/82/01/47/1166820147.db2.gz MCHZXKHEVGCSPG-YUMQZZPRSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@H]1CCCC[C@H]1NC(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001590255740 1166826987 /nfs/dbraw/zinc/82/69/87/1166826987.db2.gz VNYKMHTWJQTHDB-CMPLNLGQSA-N -1 1 316.365 0.723 20 0 DCADMM C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cncc(-c2nn[n-]n2)c1=O ZINC001590243114 1166827795 /nfs/dbraw/zinc/82/77/95/1166827795.db2.gz IZSIYBSKKADWSQ-AOOOYVTPSA-N -1 1 317.353 0.213 20 0 DCADMM C[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1n1ccnc1 ZINC001590274762 1166835875 /nfs/dbraw/zinc/83/58/75/1166835875.db2.gz PMGMEQWKSHJZGZ-WDEREUQCSA-N -1 1 311.353 0.941 20 0 DCADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@@H]1O ZINC001590277320 1166837198 /nfs/dbraw/zinc/83/71/98/1166837198.db2.gz VJGSKGVTDMQJOY-KWQFWETISA-N -1 1 301.354 0.741 20 0 DCADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@@H]1O ZINC001590277320 1166837203 /nfs/dbraw/zinc/83/72/03/1166837203.db2.gz VJGSKGVTDMQJOY-KWQFWETISA-N -1 1 301.354 0.741 20 0 DCADMM C[C@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)C[C@H](C)S1=O ZINC001590306924 1166853507 /nfs/dbraw/zinc/85/35/07/1166853507.db2.gz KCGSRUDUYKJVGX-UWVGGRQHSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)C[C@H](C)S1=O ZINC001590306924 1166853516 /nfs/dbraw/zinc/85/35/16/1166853516.db2.gz KCGSRUDUYKJVGX-UWVGGRQHSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@H]1CN(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)CCO1 ZINC001590311986 1166856916 /nfs/dbraw/zinc/85/69/16/1166856916.db2.gz ZFOSWQOFKGBHQY-JTQLQIEISA-N -1 1 316.365 0.195 20 0 DCADMM C[C@@H](C(=O)N1CCSC[C@@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590325283 1166864978 /nfs/dbraw/zinc/86/49/78/1166864978.db2.gz BVTFAZXLAKMJSC-IUCAKERBSA-N -1 1 322.398 0.231 20 0 DCADMM C[C@H]1COCCN1CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590324648 1166866091 /nfs/dbraw/zinc/86/60/91/1166866091.db2.gz BPAUFVAZSALOGA-VIFPVBQESA-N -1 1 322.394 0.379 20 0 DCADMM C[C@H]1COCCN1CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590324648 1166866096 /nfs/dbraw/zinc/86/60/96/1166866096.db2.gz BPAUFVAZSALOGA-VIFPVBQESA-N -1 1 322.394 0.379 20 0 DCADMM C[C@@H]1CSC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590329034 1166867191 /nfs/dbraw/zinc/86/71/91/1166867191.db2.gz KUMVIBSEAKTIEK-HTRCEHHLSA-N -1 1 308.371 0.473 20 0 DCADMM C[C@@H]1CSC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590329034 1166867195 /nfs/dbraw/zinc/86/71/95/1166867195.db2.gz KUMVIBSEAKTIEK-HTRCEHHLSA-N -1 1 308.371 0.473 20 0 DCADMM C/C=C(\C)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590344669 1166875862 /nfs/dbraw/zinc/87/58/62/1166875862.db2.gz AGKGQIKQAMKQLP-XCVCLJGOSA-N -1 1 314.353 0.272 20 0 DCADMM C/C=C(\C)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590344669 1166875868 /nfs/dbraw/zinc/87/58/68/1166875868.db2.gz AGKGQIKQAMKQLP-XCVCLJGOSA-N -1 1 314.353 0.272 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590348201 1166879764 /nfs/dbraw/zinc/87/97/64/1166879764.db2.gz RCXBXNRRDSDSMT-OTVCUZDGSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590348201 1166879768 /nfs/dbraw/zinc/87/97/68/1166879768.db2.gz RCXBXNRRDSDSMT-OTVCUZDGSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(/C)C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590347328 1166879936 /nfs/dbraw/zinc/87/99/36/1166879936.db2.gz OWPFDYPXBKQEPE-NVDWLVSRSA-N -1 1 316.369 0.848 20 0 DCADMM C/C=C(/C)C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590347328 1166879940 /nfs/dbraw/zinc/87/99/40/1166879940.db2.gz OWPFDYPXBKQEPE-NVDWLVSRSA-N -1 1 316.369 0.848 20 0 DCADMM C/C=C(\C)C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001590346374 1166880019 /nfs/dbraw/zinc/88/00/19/1166880019.db2.gz FRMSLSVNSWSAHB-LLGDCAAFSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(\C)C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001590346374 1166880027 /nfs/dbraw/zinc/88/00/27/1166880027.db2.gz FRMSLSVNSWSAHB-LLGDCAAFSA-N -1 1 316.369 0.930 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001590360991 1166885350 /nfs/dbraw/zinc/88/53/50/1166885350.db2.gz SIZNZPAYHUXLFT-NXEZZACHSA-N -1 1 316.369 0.280 20 0 DCADMM CCC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001590362129 1166886012 /nfs/dbraw/zinc/88/60/12/1166886012.db2.gz YKENMTKODVRSMR-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001590362129 1166886020 /nfs/dbraw/zinc/88/60/20/1166886020.db2.gz YKENMTKODVRSMR-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590362475 1166888039 /nfs/dbraw/zinc/88/80/39/1166888039.db2.gz NZGZMGLJTANAJY-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM CCC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590362475 1166888044 /nfs/dbraw/zinc/88/80/44/1166888044.db2.gz NZGZMGLJTANAJY-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM CCC(=O)NC[C@@H](C)N(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001590366064 1166888595 /nfs/dbraw/zinc/88/85/95/1166888595.db2.gz ATKWEKCWJZQSOP-SECBINFHSA-N -1 1 304.358 0.398 20 0 DCADMM CCC(=O)NC[C@@H](C)N(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001590366064 1166888598 /nfs/dbraw/zinc/88/85/98/1166888598.db2.gz ATKWEKCWJZQSOP-SECBINFHSA-N -1 1 304.358 0.398 20 0 DCADMM CCC(C)(C)[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590373336 1166892397 /nfs/dbraw/zinc/89/23/97/1166892397.db2.gz 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CCc1nc(-c2nn[n-]n2)cc(N(C)CC(=O)NC(C)(C)C)n1 ZINC001590903757 1167042695 /nfs/dbraw/zinc/04/26/95/1167042695.db2.gz NBVAOJAAZSDFTC-UHFFFAOYSA-N -1 1 318.385 0.570 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](C(N)=O)CC[C@H]2C)n1 ZINC001590905145 1167046986 /nfs/dbraw/zinc/04/69/86/1167046986.db2.gz RNGNCBADURSKEJ-RKDXNWHRSA-N -1 1 316.369 0.309 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](C(N)=O)CC[C@H]2C)n1 ZINC001590905145 1167046994 /nfs/dbraw/zinc/04/69/94/1167046994.db2.gz RNGNCBADURSKEJ-RKDXNWHRSA-N -1 1 316.369 0.309 20 0 DCADMM CCc1nc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)co1 ZINC001590910144 1167048489 /nfs/dbraw/zinc/04/84/89/1167048489.db2.gz GELPYJWQDMZGDE-UHFFFAOYSA-N -1 1 302.298 0.711 20 0 DCADMM CCc1nc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)co1 ZINC001590910144 1167048495 /nfs/dbraw/zinc/04/84/95/1167048495.db2.gz GELPYJWQDMZGDE-UHFFFAOYSA-N -1 1 302.298 0.711 20 0 DCADMM CCc1nc(NCc2snnc2C)cc(-c2nnn[n-]2)n1 ZINC001590922894 1167051163 /nfs/dbraw/zinc/05/11/63/1167051163.db2.gz WWJNWNGDLUNYKP-UHFFFAOYSA-N -1 1 303.355 0.991 20 0 DCADMM CCc1nc(NCc2snnc2C)cc(-c2nn[n-]n2)n1 ZINC001590922894 1167051166 /nfs/dbraw/zinc/05/11/66/1167051166.db2.gz WWJNWNGDLUNYKP-UHFFFAOYSA-N -1 1 303.355 0.991 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCC(C)(C)OC)c1=O ZINC001590949836 1167056948 /nfs/dbraw/zinc/05/69/48/1167056948.db2.gz JOTFVOBKNPPOIA-UHFFFAOYSA-N -1 1 308.342 0.025 20 0 DCADMM CCn1nncc1COC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590971673 1167063173 /nfs/dbraw/zinc/06/31/73/1167063173.db2.gz BPOWHTVEZZIWJD-UHFFFAOYSA-N -1 1 305.323 0.897 20 0 DCADMM CCn1nncc1COC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590971673 1167063176 /nfs/dbraw/zinc/06/31/76/1167063176.db2.gz BPOWHTVEZZIWJD-UHFFFAOYSA-N -1 1 305.323 0.897 20 0 DCADMM CN(C(=O)[C@H]1C[C@]12CCOC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001590975919 1167064849 /nfs/dbraw/zinc/06/48/49/1167064849.db2.gz ITMAZWDPLFOVJR-YGRLFVJLSA-N -1 1 300.322 0.651 20 0 DCADMM CN(C(=O)[C@H]1C[C@]12CCOC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001590975919 1167064855 /nfs/dbraw/zinc/06/48/55/1167064855.db2.gz ITMAZWDPLFOVJR-YGRLFVJLSA-N -1 1 300.322 0.651 20 0 DCADMM CN(C)c1cncc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001591034481 1167087309 /nfs/dbraw/zinc/08/73/09/1167087309.db2.gz ZMEMNBDUPNVYPW-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CN(C)c1cncc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001591034481 1167087315 /nfs/dbraw/zinc/08/73/15/1167087315.db2.gz ZMEMNBDUPNVYPW-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CN(CC(=O)OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCSC1 ZINC001591038917 1167090234 /nfs/dbraw/zinc/09/02/34/1167090234.db2.gz DRRMKPVTZCGYME-SECBINFHSA-N -1 1 323.378 0.940 20 0 DCADMM CN(CCc1ccccn1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591122604 1167108995 /nfs/dbraw/zinc/10/89/95/1167108995.db2.gz YNQCATUHQZFBGT-UHFFFAOYSA-N -1 1 309.333 0.971 20 0 DCADMM CN(CCc1ccccn1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591122604 1167109000 /nfs/dbraw/zinc/10/90/00/1167109000.db2.gz YNQCATUHQZFBGT-UHFFFAOYSA-N -1 1 309.333 0.971 20 0 DCADMM CN1CC[C@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)C1=O ZINC001591179358 1167133375 /nfs/dbraw/zinc/13/33/75/1167133375.db2.gz LMDOTBGUKKGWKW-SNVBAGLBSA-N -1 1 324.344 0.660 20 0 DCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN(C)C1=O ZINC001591187614 1167138150 /nfs/dbraw/zinc/13/81/50/1167138150.db2.gz FNUIHSHTGHGAPS-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN(C)C1=O ZINC001591187614 1167138155 /nfs/dbraw/zinc/13/81/55/1167138155.db2.gz FNUIHSHTGHGAPS-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CN1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1=O ZINC001591195491 1167145098 /nfs/dbraw/zinc/14/50/98/1167145098.db2.gz NJLWUNRVVAPQFS-QMMMGPOBSA-N -1 1 300.326 0.177 20 0 DCADMM CN1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1=O ZINC001591195491 1167145100 /nfs/dbraw/zinc/14/51/00/1167145100.db2.gz NJLWUNRVVAPQFS-QMMMGPOBSA-N -1 1 300.326 0.177 20 0 DCADMM CNC(=O)CCCN(C)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591207361 1167154616 /nfs/dbraw/zinc/15/46/16/1167154616.db2.gz YBJHYLXPFIPDPM-UHFFFAOYSA-N -1 1 320.328 0.604 20 0 DCADMM CNC(=O)CCCN(C)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591207361 1167154621 /nfs/dbraw/zinc/15/46/21/1167154621.db2.gz YBJHYLXPFIPDPM-UHFFFAOYSA-N -1 1 320.328 0.604 20 0 DCADMM CNC(=O)CCN(C)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591207967 1167155542 /nfs/dbraw/zinc/15/55/42/1167155542.db2.gz NXJLXDNPMZONFK-UHFFFAOYSA-N -1 1 324.291 0.353 20 0 DCADMM CNC(=O)CCN(C)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591207967 1167155547 /nfs/dbraw/zinc/15/55/47/1167155547.db2.gz NXJLXDNPMZONFK-UHFFFAOYSA-N -1 1 324.291 0.353 20 0 DCADMM COC(=O)[C@H](C)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001591230190 1167168243 /nfs/dbraw/zinc/16/82/43/1167168243.db2.gz DGZYRFFTZMZGQG-VIFPVBQESA-N -1 1 322.394 0.612 20 0 DCADMM COC(=O)C1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CCCC1 ZINC001591243890 1167173108 /nfs/dbraw/zinc/17/31/08/1167173108.db2.gz WUQWHDIDBOZLGZ-UHFFFAOYSA-N -1 1 319.321 0.923 20 0 DCADMM COC(=O)C1(CNC(=O)c2coc(-c3nn[n-]n3)c2)CCCC1 ZINC001591243890 1167173111 /nfs/dbraw/zinc/17/31/11/1167173111.db2.gz WUQWHDIDBOZLGZ-UHFFFAOYSA-N -1 1 319.321 0.923 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001591251347 1167175960 /nfs/dbraw/zinc/17/59/60/1167175960.db2.gz BNPYUFAOJBYTKL-MRVPVSSYSA-N -1 1 319.296 0.641 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001591251347 1167175964 /nfs/dbraw/zinc/17/59/64/1167175964.db2.gz BNPYUFAOJBYTKL-MRVPVSSYSA-N -1 1 319.296 0.641 20 0 DCADMM COC(=O)C1CC(OC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591249449 1167176822 /nfs/dbraw/zinc/17/68/22/1167176822.db2.gz XQLCGECYTXKJFA-UHFFFAOYSA-N -1 1 306.278 0.877 20 0 DCADMM COC(=O)C1CC(OC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591249449 1167176825 /nfs/dbraw/zinc/17/68/25/1167176825.db2.gz XQLCGECYTXKJFA-UHFFFAOYSA-N -1 1 306.278 0.877 20 0 DCADMM COC(=O)C[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591263603 1167186781 /nfs/dbraw/zinc/18/67/81/1167186781.db2.gz AMQNAVHACSCPOQ-SECBINFHSA-N -1 1 316.321 0.429 20 0 DCADMM COC(=O)C[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591263603 1167186788 /nfs/dbraw/zinc/18/67/88/1167186788.db2.gz AMQNAVHACSCPOQ-SECBINFHSA-N -1 1 316.321 0.429 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001591278461 1167196552 /nfs/dbraw/zinc/19/65/52/1167196552.db2.gz IKUIQKTZNGKPPN-VXNVDRBHSA-N -1 1 321.362 0.809 20 0 DCADMM COC(=O)c1ccc(N(C)[C@@H]2CCCOC2)c(-c2nnn[n-]2)n1 ZINC001591293152 1167202531 /nfs/dbraw/zinc/20/25/31/1167202531.db2.gz BOOIDDJGAISLJL-SECBINFHSA-N -1 1 318.337 0.664 20 0 DCADMM COC(=O)c1ccc(N(C)[C@@H]2CCCOC2)c(-c2nn[n-]n2)n1 ZINC001591293152 1167202537 /nfs/dbraw/zinc/20/25/37/1167202537.db2.gz BOOIDDJGAISLJL-SECBINFHSA-N -1 1 318.337 0.664 20 0 DCADMM COC(=O)c1cccc(Cl)c1Cn1cc(-c2nn[n-]n2)nn1 ZINC001591302648 1167205402 /nfs/dbraw/zinc/20/54/02/1167205402.db2.gz UEZSQPFEPLYMKD-UHFFFAOYSA-N -1 1 319.712 0.947 20 0 DCADMM CO[C@H](CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)CC(C)C ZINC001591330525 1167216833 /nfs/dbraw/zinc/21/68/33/1167216833.db2.gz INZYMAQNAILBMA-UWVGGRQHSA-N -1 1 322.373 0.197 20 0 DCADMM COC(OC)[C@H](C)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001591336039 1167219115 /nfs/dbraw/zinc/21/91/15/1167219115.db2.gz ZWSDHPYIMOSMOG-ZETCQYMHSA-N -1 1 322.325 0.013 20 0 DCADMM CO[C@@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591342583 1167222051 /nfs/dbraw/zinc/22/20/51/1167222051.db2.gz HIWBAFXTHOOHFK-AWEZNQCLSA-N -1 1 321.337 0.382 20 0 DCADMM CO[C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591342583 1167222062 /nfs/dbraw/zinc/22/20/62/1167222062.db2.gz HIWBAFXTHOOHFK-AWEZNQCLSA-N -1 1 321.337 0.382 20 0 DCADMM COC1(CO)CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001591344166 1167224891 /nfs/dbraw/zinc/22/48/91/1167224891.db2.gz PTFGKSGEEXPSLI-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM COC1(CO)CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001591344166 1167224900 /nfs/dbraw/zinc/22/49/00/1167224900.db2.gz PTFGKSGEEXPSLI-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM COC1(OC)CC(NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001591346607 1167225193 /nfs/dbraw/zinc/22/51/93/1167225193.db2.gz NEQDASBWMPPIQY-UHFFFAOYSA-N -1 1 309.351 0.810 20 0 DCADMM COC1(OC)CC(NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001591346607 1167225198 /nfs/dbraw/zinc/22/51/98/1167225198.db2.gz NEQDASBWMPPIQY-UHFFFAOYSA-N -1 1 309.351 0.810 20 0 DCADMM CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001591354039 1167230259 /nfs/dbraw/zinc/23/02/59/1167230259.db2.gz IALBJZXCCZYYCC-CKYFFXLPSA-N -1 1 319.369 0.635 20 0 DCADMM CO[C@@H]1CCC[C@@H]([C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001591354039 1167230265 /nfs/dbraw/zinc/23/02/65/1167230265.db2.gz IALBJZXCCZYYCC-CKYFFXLPSA-N -1 1 319.369 0.635 20 0 DCADMM COC[C@H](CCO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591376760 1167247422 /nfs/dbraw/zinc/24/74/22/1167247422.db2.gz VVNIFQVAVKEXDZ-YFKPBYRVSA-N -1 1 304.763 0.786 20 0 DCADMM COC[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001591381128 1167251135 /nfs/dbraw/zinc/25/11/35/1167251135.db2.gz GDULHTOXOFQGLV-NXEZZACHSA-N -1 1 323.378 0.852 20 0 DCADMM COC[C@@H](OC(=O)c1cc(-c2nnn[n-]2)oc1C)C(=O)OC ZINC001591381384 1167252027 /nfs/dbraw/zinc/25/20/27/1167252027.db2.gz WFTCPSMANMMYOW-SECBINFHSA-N -1 1 310.266 0.113 20 0 DCADMM COC[C@@H](OC(=O)c1cc(-c2nn[n-]n2)oc1C)C(=O)OC ZINC001591381384 1167252032 /nfs/dbraw/zinc/25/20/32/1167252032.db2.gz WFTCPSMANMMYOW-SECBINFHSA-N -1 1 310.266 0.113 20 0 DCADMM COC[C@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001591396305 1167265590 /nfs/dbraw/zinc/26/55/90/1167265590.db2.gz WRYNZELSTJCYJV-WDEREUQCSA-N -1 1 304.354 0.810 20 0 DCADMM COC[C@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001591396305 1167265597 /nfs/dbraw/zinc/26/55/97/1167265597.db2.gz WRYNZELSTJCYJV-WDEREUQCSA-N -1 1 304.354 0.810 20 0 DCADMM COCC[C@@](C)(O)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591398270 1167266147 /nfs/dbraw/zinc/26/61/47/1167266147.db2.gz SXOQNRZOFCQRBO-CYBMUJFWSA-N -1 1 321.341 0.171 20 0 DCADMM COCC[C@@](C)(O)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591398270 1167266153 /nfs/dbraw/zinc/26/61/53/1167266153.db2.gz SXOQNRZOFCQRBO-CYBMUJFWSA-N -1 1 321.341 0.171 20 0 DCADMM COCC1CN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001591396492 1167267594 /nfs/dbraw/zinc/26/75/94/1167267594.db2.gz YGSQDDYZIBQBNV-UHFFFAOYSA-N -1 1 304.310 0.131 20 0 DCADMM COCC1CN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001591396492 1167267602 /nfs/dbraw/zinc/26/76/02/1167267602.db2.gz YGSQDDYZIBQBNV-UHFFFAOYSA-N -1 1 304.310 0.131 20 0 DCADMM COCC[C@@H](COC)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591399527 1167268168 /nfs/dbraw/zinc/26/81/68/1167268168.db2.gz URWMEDPXGDTTMT-VIFPVBQESA-N -1 1 311.367 0.710 20 0 DCADMM COCC[C@]1(NC(=O)c2cc(-c3nnn[n-]3)oc2C)CCOC1 ZINC001591402926 1167268574 /nfs/dbraw/zinc/26/85/74/1167268574.db2.gz RVWAUMBKHZFKBE-AWEZNQCLSA-N -1 1 321.337 0.694 20 0 DCADMM COCC[C@]1(NC(=O)c2cc(-c3nn[n-]n3)oc2C)CCOC1 ZINC001591402926 1167268583 /nfs/dbraw/zinc/26/85/83/1167268583.db2.gz RVWAUMBKHZFKBE-AWEZNQCLSA-N -1 1 321.337 0.694 20 0 DCADMM COCC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591399574 1167270020 /nfs/dbraw/zinc/27/00/20/1167270020.db2.gz VJSNOHWTOIYFAM-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM COCC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591399574 1167270027 /nfs/dbraw/zinc/27/00/27/1167270027.db2.gz VJSNOHWTOIYFAM-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM COCC[C@@]1(NC(=O)c2cc(-c3nnn[n-]3)oc2C)CCOC1 ZINC001591402927 1167270393 /nfs/dbraw/zinc/27/03/93/1167270393.db2.gz RVWAUMBKHZFKBE-CQSZACIVSA-N -1 1 321.337 0.694 20 0 DCADMM COCC[C@@]1(NC(=O)c2cc(-c3nn[n-]n3)oc2C)CCOC1 ZINC001591402927 1167270397 /nfs/dbraw/zinc/27/03/97/1167270397.db2.gz RVWAUMBKHZFKBE-CQSZACIVSA-N -1 1 321.337 0.694 20 0 DCADMM COCCCOCCN(C)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591417366 1167275746 /nfs/dbraw/zinc/27/57/46/1167275746.db2.gz YKKRIGBBUVKSPN-UHFFFAOYSA-N -1 1 307.358 0.454 20 0 DCADMM COCCCOCCN(C)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591417366 1167275750 /nfs/dbraw/zinc/27/57/50/1167275750.db2.gz YKKRIGBBUVKSPN-UHFFFAOYSA-N -1 1 307.358 0.454 20 0 DCADMM COCCCNC(=O)CN(C)c1ccc(C)nc1-c1nnn[n-]1 ZINC001591414912 1167276557 /nfs/dbraw/zinc/27/65/57/1167276557.db2.gz CBMVXPJTRYZJFX-UHFFFAOYSA-N -1 1 319.369 0.159 20 0 DCADMM COCCCNC(=O)CN(C)c1ccc(C)nc1-c1nn[n-]n1 ZINC001591414912 1167276562 /nfs/dbraw/zinc/27/65/62/1167276562.db2.gz CBMVXPJTRYZJFX-UHFFFAOYSA-N -1 1 319.369 0.159 20 0 DCADMM COCc1nc(Sc2nc(C)cc(-c3nn[n-]n3)n2)n[nH]1 ZINC001591461706 1167297291 /nfs/dbraw/zinc/29/72/91/1167297291.db2.gz ZDXNAHFACSFCPJ-UHFFFAOYSA-N -1 1 305.327 0.381 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCc1c(C)noc1C ZINC001591474587 1167303695 /nfs/dbraw/zinc/30/36/95/1167303695.db2.gz HEAWEBPHUOUSAQ-UHFFFAOYSA-N -1 1 316.321 0.885 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1C[C@@H]1C[C@]12CCOC2 ZINC001591473911 1167303762 /nfs/dbraw/zinc/30/37/62/1167303762.db2.gz RRFZNWGBDVDWQD-XPTSAGLGSA-N -1 1 303.322 0.464 20 0 DCADMM CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591474653 1167305950 /nfs/dbraw/zinc/30/59/50/1167305950.db2.gz MSGMQZJJZSSXDF-DTORHVGOSA-N -1 1 324.366 0.060 20 0 DCADMM CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591474653 1167305956 /nfs/dbraw/zinc/30/59/56/1167305956.db2.gz MSGMQZJJZSSXDF-DTORHVGOSA-N -1 1 324.366 0.060 20 0 DCADMM COc1cc(C)nc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001591521936 1167321952 /nfs/dbraw/zinc/32/19/52/1167321952.db2.gz BLLUAVMSTXMEBZ-UHFFFAOYSA-N -1 1 301.266 0.819 20 0 DCADMM COc1cc(C)nc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001591521936 1167321958 /nfs/dbraw/zinc/32/19/58/1167321958.db2.gz BLLUAVMSTXMEBZ-UHFFFAOYSA-N -1 1 301.266 0.819 20 0 DCADMM COc1ncc(NC(=O)NC(CF)CF)cc1-c1nn[n-]n1 ZINC001591664340 1167343291 /nfs/dbraw/zinc/34/32/91/1167343291.db2.gz LCOATPZODVYCCD-UHFFFAOYSA-N -1 1 313.268 0.699 20 0 DCADMM COc1nc(C)ccc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001591662197 1167344316 /nfs/dbraw/zinc/34/43/16/1167344316.db2.gz BEEHVHAPUXDXQY-UHFFFAOYSA-N -1 1 300.282 0.554 20 0 DCADMM COc1coc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)cc1=O ZINC001591659931 1167344448 /nfs/dbraw/zinc/34/44/48/1167344448.db2.gz VVXQUHSAFQVQPN-UHFFFAOYSA-N -1 1 315.289 0.347 20 0 DCADMM CS(=O)(=O)C1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001591673266 1167347765 /nfs/dbraw/zinc/34/77/65/1167347765.db2.gz KAFSUJAIFFKHQG-UHFFFAOYSA-N -1 1 320.787 0.210 20 0 DCADMM CS(=O)(=O)C1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591673019 1167349008 /nfs/dbraw/zinc/34/90/08/1167349008.db2.gz DWAWCYRMWXRWFQ-UHFFFAOYSA-N -1 1 308.367 0.275 20 0 DCADMM CS(=O)(=O)C1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591673019 1167349012 /nfs/dbraw/zinc/34/90/12/1167349012.db2.gz DWAWCYRMWXRWFQ-UHFFFAOYSA-N -1 1 308.367 0.275 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591672624 1167349777 /nfs/dbraw/zinc/34/97/77/1167349777.db2.gz BDAKOKHRAAPTRD-GXSJLCMTSA-N -1 1 322.394 0.451 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591672624 1167349782 /nfs/dbraw/zinc/34/97/82/1167349782.db2.gz BDAKOKHRAAPTRD-GXSJLCMTSA-N -1 1 322.394 0.451 20 0 DCADMM CS(=O)(=O)N1CCC[C@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001591676444 1167352007 /nfs/dbraw/zinc/35/20/07/1167352007.db2.gz CDNVOYVHHIBNQT-VIFPVBQESA-N -1 1 323.382 0.098 20 0 DCADMM CS(=O)(=O)N1CCC[C@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001591676444 1167352009 /nfs/dbraw/zinc/35/20/09/1167352009.db2.gz CDNVOYVHHIBNQT-VIFPVBQESA-N -1 1 323.382 0.098 20 0 DCADMM C[S@](=O)[C@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001591682539 1167352132 /nfs/dbraw/zinc/35/21/32/1167352132.db2.gz IYQWFKKFCFEMLK-SYLNSOGPSA-N -1 1 307.383 0.758 20 0 DCADMM C[S@](=O)[C@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001591682539 1167352136 /nfs/dbraw/zinc/35/21/36/1167352136.db2.gz IYQWFKKFCFEMLK-SYLNSOGPSA-N -1 1 307.383 0.758 20 0 DCADMM CSCCCNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001591700519 1167360014 /nfs/dbraw/zinc/36/00/14/1167360014.db2.gz YNLMTLUTFBEEKB-UHFFFAOYSA-N -1 1 314.396 0.293 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1CC1 ZINC001591725469 1167360845 /nfs/dbraw/zinc/36/08/45/1167360845.db2.gz JVSKBBMVMGVRFP-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1CC1 ZINC001591725469 1167360847 /nfs/dbraw/zinc/36/08/47/1167360847.db2.gz JVSKBBMVMGVRFP-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C)CC1 ZINC001591727285 1167361203 /nfs/dbraw/zinc/36/12/03/1167361203.db2.gz DJIUQCYHQFROQJ-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C)CC1 ZINC001591727285 1167361208 /nfs/dbraw/zinc/36/12/08/1167361208.db2.gz DJIUQCYHQFROQJ-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM CSc1nccnc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591720640 1167362044 /nfs/dbraw/zinc/36/20/44/1167362044.db2.gz DSSJYRBHHUBPGQ-UHFFFAOYSA-N -1 1 317.338 0.364 20 0 DCADMM CSc1nccnc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591720640 1167362047 /nfs/dbraw/zinc/36/20/47/1167362047.db2.gz DSSJYRBHHUBPGQ-UHFFFAOYSA-N -1 1 317.338 0.364 20 0 DCADMM C[C@H]1CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001591773802 1167370673 /nfs/dbraw/zinc/37/06/73/1167370673.db2.gz GZNWRMVXGBWKAM-ZETCQYMHSA-N -1 1 309.355 0.254 20 0 DCADMM C[C@H]1CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001591773802 1167370681 /nfs/dbraw/zinc/37/06/81/1167370681.db2.gz GZNWRMVXGBWKAM-ZETCQYMHSA-N -1 1 309.355 0.254 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(CCCCF)c(=O)n1C1CC1 ZINC001591794052 1167382204 /nfs/dbraw/zinc/38/22/04/1167382204.db2.gz WFDNJTTVVJRJST-UHFFFAOYSA-N -1 1 308.317 0.583 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@]23CCOC3)nn1C ZINC001591799966 1167383068 /nfs/dbraw/zinc/38/30/68/1167383068.db2.gz VSGJIELELUEPLK-ISVAXAHUSA-N -1 1 303.326 0.274 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@]23CCOC3)nn1C ZINC001591799966 1167383074 /nfs/dbraw/zinc/38/30/74/1167383074.db2.gz VSGJIELELUEPLK-ISVAXAHUSA-N -1 1 303.326 0.274 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](CO)C(C)(C)C ZINC001591834844 1167391611 /nfs/dbraw/zinc/39/16/11/1167391611.db2.gz TTXOXQWVYQBPPN-VIFPVBQESA-N -1 1 320.353 0.413 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(COC(=O)N3)CC2)n1 ZINC001591886881 1167411197 /nfs/dbraw/zinc/41/11/97/1167411197.db2.gz MHZAUWHFUZSEIN-UHFFFAOYSA-N -1 1 316.325 0.044 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(COC(=O)N3)CC2)n1 ZINC001591886881 1167411207 /nfs/dbraw/zinc/41/12/07/1167411207.db2.gz MHZAUWHFUZSEIN-UHFFFAOYSA-N -1 1 316.325 0.044 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(CC2)COCCO3)c1 ZINC001591887090 1167412046 /nfs/dbraw/zinc/41/20/46/1167412046.db2.gz ZKCBUHNXLDZGLQ-UHFFFAOYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(CC2)COCCO3)c1 ZINC001591887090 1167412048 /nfs/dbraw/zinc/41/20/48/1167412048.db2.gz ZKCBUHNXLDZGLQ-UHFFFAOYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1cc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)n(C)n1 ZINC001591909274 1167415575 /nfs/dbraw/zinc/41/55/75/1167415575.db2.gz ZYYOUPINSAZVAX-UHFFFAOYSA-N -1 1 318.366 0.950 20 0 DCADMM Cc1cc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)n(C)n1 ZINC001591909274 1167415580 /nfs/dbraw/zinc/41/55/80/1167415580.db2.gz ZYYOUPINSAZVAX-UHFFFAOYSA-N -1 1 318.366 0.950 20 0 DCADMM Cc1cc(C)cc(OC[C@@H](O)Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001591954587 1167426490 /nfs/dbraw/zinc/42/64/90/1167426490.db2.gz BWVCSNWPIZQYNJ-NSHDSACASA-N -1 1 315.337 0.515 20 0 DCADMM Cc1cc(N2CCO[C@](C)(C(=O)[O-])C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592007544 1167435108 /nfs/dbraw/zinc/43/51/08/1167435108.db2.gz VHMKRCMKNDEMOL-ZDUSSCGKSA-N -1 1 304.310 0.250 20 0 DCADMM Cc1cc(NC(=O)COc2cccnc2-c2nnn[n-]2)on1 ZINC001592017780 1167436242 /nfs/dbraw/zinc/43/62/42/1167436242.db2.gz FTOSOADPWNFVEZ-UHFFFAOYSA-N -1 1 301.266 0.576 20 0 DCADMM Cc1cc(NC(=O)COc2cccnc2-c2nn[n-]n2)on1 ZINC001592017780 1167436248 /nfs/dbraw/zinc/43/62/48/1167436248.db2.gz FTOSOADPWNFVEZ-UHFFFAOYSA-N -1 1 301.266 0.576 20 0 DCADMM Cc1cc(NC[C@@H](O)COCC2CC2)nc(-c2nnn[n-]2)c1 ZINC001592041613 1167444066 /nfs/dbraw/zinc/44/40/66/1167444066.db2.gz OXADMLMHHOWXPB-LLVKDONJSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1cc(NC[C@@H](O)COCC2CC2)nc(-c2nn[n-]n2)c1 ZINC001592041613 1167444067 /nfs/dbraw/zinc/44/40/67/1167444067.db2.gz OXADMLMHHOWXPB-LLVKDONJSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1cc(NC[C@@H](O)COCC2CC2)cc(-c2nnn[n-]2)n1 ZINC001592041835 1167444624 /nfs/dbraw/zinc/44/46/24/1167444624.db2.gz WLOJVMHCLRXCIS-GFCCVEGCSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1cc(NC[C@@H](O)COCC2CC2)cc(-c2nn[n-]n2)n1 ZINC001592041835 1167444630 /nfs/dbraw/zinc/44/46/30/1167444630.db2.gz WLOJVMHCLRXCIS-GFCCVEGCSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1ccc(-c2nnc(Cn3cc(-c4nn[n-]n4)nn3)o2)cc1 ZINC001592074902 1167448867 /nfs/dbraw/zinc/44/88/67/1167448867.db2.gz BEZOZDIQYBHUCF-UHFFFAOYSA-N -1 1 309.293 0.865 20 0 DCADMM Cc1ccc([C@H](O)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592138687 1167463978 /nfs/dbraw/zinc/46/39/78/1167463978.db2.gz XPPZFODFJRPWIT-ZWNOBZJWSA-N -1 1 311.349 0.921 20 0 DCADMM Cc1ccc(N2CCC[C@H](S(C)(=O)=O)C2)nc1-c1nnn[n-]1 ZINC001592176363 1167470421 /nfs/dbraw/zinc/47/04/21/1167470421.db2.gz LNIHFTIGUJKZFC-JTQLQIEISA-N -1 1 322.394 0.584 20 0 DCADMM Cc1ccc(N2CCC[C@H](S(C)(=O)=O)C2)nc1-c1nn[n-]n1 ZINC001592176363 1167470424 /nfs/dbraw/zinc/47/04/24/1167470424.db2.gz LNIHFTIGUJKZFC-JTQLQIEISA-N -1 1 322.394 0.584 20 0 DCADMM Cc1ccc(O)cc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592186285 1167472433 /nfs/dbraw/zinc/47/24/33/1167472433.db2.gz ICODHVXKUVBIOP-QMMMGPOBSA-N -1 1 314.309 0.672 20 0 DCADMM Cc1cccc2c1O[C@@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)C2 ZINC001592244658 1167477590 /nfs/dbraw/zinc/47/75/90/1167477590.db2.gz FPLRSOCOJWXERA-SNVBAGLBSA-N -1 1 311.305 0.840 20 0 DCADMM Cc1cn(C)nc1C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001592287462 1167485399 /nfs/dbraw/zinc/48/53/99/1167485399.db2.gz IRBLZQDFRLXCIC-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1cn(C)nc1C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001592287462 1167485403 /nfs/dbraw/zinc/48/54/03/1167485403.db2.gz IRBLZQDFRLXCIC-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1cnn(C)c1S(=O)(=O)Oc1cccnc1-c1nn[n-]n1 ZINC001592303101 1167486741 /nfs/dbraw/zinc/48/67/41/1167486741.db2.gz VQEMRNFENSKDEX-UHFFFAOYSA-N -1 1 321.322 0.071 20 0 DCADMM Cc1cnn([C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001592303183 1167486988 /nfs/dbraw/zinc/48/69/88/1167486988.db2.gz YKYCCVVFDJVIRV-NSHDSACASA-N -1 1 311.353 0.921 20 0 DCADMM Cc1cnn([C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001592303183 1167486992 /nfs/dbraw/zinc/48/69/92/1167486992.db2.gz YKYCCVVFDJVIRV-NSHDSACASA-N -1 1 311.353 0.921 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccc(CO)c(F)c2)c1-c1nn[n-]n1 ZINC001592332224 1167490172 /nfs/dbraw/zinc/49/01/72/1167490172.db2.gz BRIIUTQLQPSDPQ-UHFFFAOYSA-N -1 1 317.284 0.782 20 0 DCADMM Cc1[nH]nc(NC(=O)Cn2cc(C3CC3)nn2)c1-c1nn[n-]n1 ZINC001592331198 1167490212 /nfs/dbraw/zinc/49/02/12/1167490212.db2.gz ZIEGGCOVSGUCDY-UHFFFAOYSA-N -1 1 314.313 0.006 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3NC(=O)CC[C@H]3C2)n1 ZINC001592338024 1167494048 /nfs/dbraw/zinc/49/40/48/1167494048.db2.gz SPPZJXISAMFGFI-VHSXEESVSA-N -1 1 314.353 0.070 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3NC(=O)CC[C@H]3C2)n1 ZINC001592338024 1167494051 /nfs/dbraw/zinc/49/40/51/1167494051.db2.gz SPPZJXISAMFGFI-VHSXEESVSA-N -1 1 314.353 0.070 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCc3nc[nH]c(=O)c3C2)n1 ZINC001592341514 1167494772 /nfs/dbraw/zinc/49/47/72/1167494772.db2.gz UZTNIEDVHPBTLN-UHFFFAOYSA-N -1 1 311.309 0.023 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCc3nc[nH]c(=O)c3C2)n1 ZINC001592341514 1167494776 /nfs/dbraw/zinc/49/47/76/1167494776.db2.gz UZTNIEDVHPBTLN-UHFFFAOYSA-N -1 1 311.309 0.023 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](c3nnc[nH]3)C2)n1 ZINC001592341597 1167495425 /nfs/dbraw/zinc/49/54/25/1167495425.db2.gz XOOXPGHXSYRFQW-SECBINFHSA-N -1 1 312.341 0.467 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@H](C(F)F)CC2)n1 ZINC001592341550 1167495955 /nfs/dbraw/zinc/49/59/55/1167495955.db2.gz WKKNZNCHJPNHGI-VIFPVBQESA-N -1 1 311.296 0.826 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@H](C(F)F)CC2)n1 ZINC001592341550 1167495959 /nfs/dbraw/zinc/49/59/59/1167495959.db2.gz WKKNZNCHJPNHGI-VIFPVBQESA-N -1 1 311.296 0.826 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](CCO)CC2)n1 ZINC001592341203 1167496078 /nfs/dbraw/zinc/49/60/78/1167496078.db2.gz OYYSNQKHFDWXTF-LLVKDONJSA-N -1 1 303.370 0.954 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](CCO)CC2)n1 ZINC001592341203 1167496080 /nfs/dbraw/zinc/49/60/80/1167496080.db2.gz OYYSNQKHFDWXTF-LLVKDONJSA-N -1 1 303.370 0.954 20 0 DCADMM Cc1nnc(C2CN(C(=O)c3coc(-c4nn[n-]n4)c3)C2)[nH]1 ZINC001592358200 1167504542 /nfs/dbraw/zinc/50/45/42/1167504542.db2.gz SVDLGYMREDXVLV-UHFFFAOYSA-N -1 1 300.282 0.126 20 0 DCADMM Cc1nc(CNc2ccnc(-c3nn[n-]n3)n2)nc2ccccc12 ZINC001592361583 1167504726 /nfs/dbraw/zinc/50/47/26/1167504726.db2.gz VHGMAMSPARYUSA-UHFFFAOYSA-N -1 1 319.332 0.942 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592442234 1167525591 /nfs/dbraw/zinc/52/55/91/1167525591.db2.gz JXFBBJOVIDSBFT-IONNQARKSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592442234 1167525599 /nfs/dbraw/zinc/52/55/99/1167525599.db2.gz JXFBBJOVIDSBFT-IONNQARKSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nsc(NC(=O)N2CC3(C2)CCOC3)c1-c1nnn[n-]1 ZINC001592479480 1167535082 /nfs/dbraw/zinc/53/50/82/1167535082.db2.gz JVDAECQHMPSAPU-UHFFFAOYSA-N -1 1 321.366 0.886 20 0 DCADMM Cc1nsc(NC(=O)N2CC3(C2)CCOC3)c1-c1nn[n-]n1 ZINC001592479480 1167535085 /nfs/dbraw/zinc/53/50/85/1167535085.db2.gz JVDAECQHMPSAPU-UHFFFAOYSA-N -1 1 321.366 0.886 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)[C@@H]1CCC(=O)N(C)C1 ZINC001592494709 1167536720 /nfs/dbraw/zinc/53/67/20/1167536720.db2.gz BPJZLUHOUKCXFG-SECBINFHSA-N -1 1 318.337 0.461 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)[C@@H]1CCC(=O)N(C)C1 ZINC001592494709 1167536727 /nfs/dbraw/zinc/53/67/27/1167536727.db2.gz BPJZLUHOUKCXFG-SECBINFHSA-N -1 1 318.337 0.461 20 0 DCADMM Cc1nsc(NC(=O)N[C@]23C[C@H]2COC3)c1-c1nnn[n-]1 ZINC001592483076 1167537305 /nfs/dbraw/zinc/53/73/05/1167537305.db2.gz BBYANDPVVNOEKH-KGFZYKRKSA-N -1 1 307.339 0.542 20 0 DCADMM Cc1nsc(NC(=O)N[C@]23C[C@H]2COC3)c1-c1nn[n-]n1 ZINC001592483076 1167537316 /nfs/dbraw/zinc/53/73/16/1167537316.db2.gz BBYANDPVVNOEKH-KGFZYKRKSA-N -1 1 307.339 0.542 20 0 DCADMM Cc1nsc(NCCCNC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001592490606 1167537975 /nfs/dbraw/zinc/53/79/75/1167537975.db2.gz UNEZMXXFCWXGFB-UHFFFAOYSA-N -1 1 307.383 0.960 20 0 DCADMM Cc1nsc(NC[C@H](C)NC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001592493341 1167538032 /nfs/dbraw/zinc/53/80/32/1167538032.db2.gz BCEXZIWCBQLOSI-LURJTMIESA-N -1 1 307.383 0.958 20 0 DCADMM Cc1nsc(NC(=O)[C@@H](NC=O)C(C)C)c1-c1nnn[n-]1 ZINC001592482109 1167538153 /nfs/dbraw/zinc/53/81/53/1167538153.db2.gz SKGOXBUGNITCKA-QMMMGPOBSA-N -1 1 309.355 0.341 20 0 DCADMM Cc1nsc(NC(=O)[C@@H](NC=O)C(C)C)c1-c1nn[n-]n1 ZINC001592482109 1167538159 /nfs/dbraw/zinc/53/81/59/1167538159.db2.gz SKGOXBUGNITCKA-QMMMGPOBSA-N -1 1 309.355 0.341 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)N(C)CC1CC1 ZINC001592501465 1167541302 /nfs/dbraw/zinc/54/13/02/1167541302.db2.gz LGONEDOJLUZUBE-UHFFFAOYSA-N -1 1 319.321 0.793 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)N(C)CC1CC1 ZINC001592501465 1167541307 /nfs/dbraw/zinc/54/13/07/1167541307.db2.gz LGONEDOJLUZUBE-UHFFFAOYSA-N -1 1 319.321 0.793 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC[C@@H]1CCOC1=O ZINC001592503202 1167542204 /nfs/dbraw/zinc/54/22/04/1167542204.db2.gz DDPLRYBGPQQUSN-QMMMGPOBSA-N -1 1 306.278 0.878 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC[C@@H]1CCOC1=O ZINC001592503202 1167542211 /nfs/dbraw/zinc/54/22/11/1167542211.db2.gz DDPLRYBGPQQUSN-QMMMGPOBSA-N -1 1 306.278 0.878 20 0 DCADMM Cc1oc(NC(=O)CN2CCO[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC001592509363 1167543048 /nfs/dbraw/zinc/54/30/48/1167543048.db2.gz DUINSZDHQLPRKU-MRVPVSSYSA-N -1 1 320.353 0.736 20 0 DCADMM Cc1ocnc1-c1noc([C@@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001592512116 1167543168 /nfs/dbraw/zinc/54/31/68/1167543168.db2.gz CHOZACDZUXDCOQ-RXMQYKEDSA-N -1 1 314.269 0.414 20 0 DCADMM Cc1oc(NC(=O)COC(=O)C2CC2)c(-c2nn[n-]n2)c1C ZINC001592511789 1167543723 /nfs/dbraw/zinc/54/37/23/1167543723.db2.gz XWKMCJGCLYSLFT-UHFFFAOYSA-N -1 1 305.294 0.968 20 0 DCADMM Cc1ocnc1CNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001592514774 1167543758 /nfs/dbraw/zinc/54/37/58/1167543758.db2.gz AOZCIWLBZGHGRZ-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H]3COC[C@@]3(C)C2)c1-c1nnn[n-]1 ZINC001592515386 1167544298 /nfs/dbraw/zinc/54/42/98/1167544298.db2.gz DVPPGQKNEZJCDA-YMTOWFKASA-N -1 1 318.337 0.201 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H]3COC[C@@]3(C)C2)c1-c1nn[n-]n1 ZINC001592515386 1167544300 /nfs/dbraw/zinc/54/43/00/1167544300.db2.gz DVPPGQKNEZJCDA-YMTOWFKASA-N -1 1 318.337 0.201 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1CCC(=O)N(C)C1 ZINC001592504228 1167545028 /nfs/dbraw/zinc/54/50/28/1167545028.db2.gz ZKTDNYVUYXTQCO-SECBINFHSA-N -1 1 319.321 0.793 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1CCC(=O)N(C)C1 ZINC001592504228 1167545031 /nfs/dbraw/zinc/54/50/31/1167545031.db2.gz ZKTDNYVUYXTQCO-SECBINFHSA-N -1 1 319.321 0.793 20 0 DCADMM Cc1ocnc1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001592514942 1167545290 /nfs/dbraw/zinc/54/52/90/1167545290.db2.gz QMWJWIDKNMMYRN-UHFFFAOYSA-N -1 1 303.282 0.318 20 0 DCADMM Cc1ocnc1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001592514942 1167545296 /nfs/dbraw/zinc/54/52/96/1167545296.db2.gz QMWJWIDKNMMYRN-UHFFFAOYSA-N -1 1 303.282 0.318 20 0 DCADMM Cc1onc(CC(=O)Nc2cnn3ccccc23)c1-c1nnn[n-]1 ZINC001592516717 1167547306 /nfs/dbraw/zinc/54/73/06/1167547306.db2.gz IMEXMSPCJBKNEP-UHFFFAOYSA-N -1 1 324.304 0.992 20 0 DCADMM Cc1onc(CC(=O)Nc2cnn3ccccc23)c1-c1nn[n-]n1 ZINC001592516717 1167547308 /nfs/dbraw/zinc/54/73/08/1167547308.db2.gz IMEXMSPCJBKNEP-UHFFFAOYSA-N -1 1 324.304 0.992 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2c[nH]c3cnccc23)n1 ZINC001592558819 1167557675 /nfs/dbraw/zinc/55/76/75/1167557675.db2.gz HEFRMKJCZHYPRD-UHFFFAOYSA-N -1 1 323.320 0.658 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2c[nH]c3cnccc23)n1 ZINC001592558819 1167557681 /nfs/dbraw/zinc/55/76/81/1167557681.db2.gz HEFRMKJCZHYPRD-UHFFFAOYSA-N -1 1 323.320 0.658 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)cn2)n1 ZINC001592560709 1167560506 /nfs/dbraw/zinc/56/05/06/1167560506.db2.gz PZBQKZZKWLXGCR-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)cn2)n1 ZINC001592560709 1167560511 /nfs/dbraw/zinc/56/05/11/1167560511.db2.gz PZBQKZZKWLXGCR-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@]23C[C@H]2CCC3)n1 ZINC001592560424 1167561108 /nfs/dbraw/zinc/56/11/08/1167561108.db2.gz AUGRJXURHBFZRI-OQPBUACISA-N -1 1 302.342 0.912 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@]23C[C@H]2CCC3)n1 ZINC001592560424 1167561115 /nfs/dbraw/zinc/56/11/15/1167561115.db2.gz AUGRJXURHBFZRI-OQPBUACISA-N -1 1 302.342 0.912 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](CO)CC2CCC2)n1 ZINC001592559524 1167561566 /nfs/dbraw/zinc/56/15/66/1167561566.db2.gz UXHNOBPHSWWVJB-VIFPVBQESA-N -1 1 320.357 0.273 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](CO)CC2CCC2)n1 ZINC001592559524 1167561570 /nfs/dbraw/zinc/56/15/70/1167561570.db2.gz UXHNOBPHSWWVJB-VIFPVBQESA-N -1 1 320.357 0.273 20 0 DCADMM Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592577605 1167567704 /nfs/dbraw/zinc/56/77/04/1167567704.db2.gz JLCFBYOPUQWITP-ZETCQYMHSA-N -1 1 313.325 0.382 20 0 DCADMM Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592577605 1167567708 /nfs/dbraw/zinc/56/77/08/1167567708.db2.gz JLCFBYOPUQWITP-ZETCQYMHSA-N -1 1 313.325 0.382 20 0 DCADMM Cn1ccc(CCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592579761 1167568916 /nfs/dbraw/zinc/56/89/16/1167568916.db2.gz QFJDANXVLSGPQX-UHFFFAOYSA-N -1 1 312.337 0.244 20 0 DCADMM Cn1ccc(CCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592579761 1167568922 /nfs/dbraw/zinc/56/89/22/1167568922.db2.gz QFJDANXVLSGPQX-UHFFFAOYSA-N -1 1 312.337 0.244 20 0 DCADMM Cn1nnnc1Sc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592613005 1167585002 /nfs/dbraw/zinc/58/50/02/1167585002.db2.gz WYTOFENAFNJYSY-UHFFFAOYSA-N -1 1 301.748 0.651 20 0 DCADMM FC(F)(F)[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001592614869 1167585929 /nfs/dbraw/zinc/58/59/29/1167585929.db2.gz BLFJKPCCJMTMLE-ZCFIWIBFSA-N -1 1 301.232 0.424 20 0 DCADMM FC(F)(F)[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001592615686 1167586653 /nfs/dbraw/zinc/58/66/53/1167586653.db2.gz KPQWAJXOVYTURG-SSDOTTSWSA-N -1 1 301.232 0.424 20 0 DCADMM FC(F)(F)[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001592615686 1167586657 /nfs/dbraw/zinc/58/66/57/1167586657.db2.gz KPQWAJXOVYTURG-SSDOTTSWSA-N -1 1 301.232 0.424 20 0 DCADMM FC(F)(F)CN1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592614455 1167587828 /nfs/dbraw/zinc/58/78/28/1167587828.db2.gz ONUUWSYAZGCQBW-ZETCQYMHSA-N -1 1 314.275 0.705 20 0 DCADMM FC(F)(F)CN1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592614455 1167587834 /nfs/dbraw/zinc/58/78/34/1167587834.db2.gz ONUUWSYAZGCQBW-ZETCQYMHSA-N -1 1 314.275 0.705 20 0 DCADMM NC(=O)[C@@H](C1CC1)N(CC1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592714521 1167608486 /nfs/dbraw/zinc/60/84/86/1167608486.db2.gz QSRBEENYDDYJPR-CYBMUJFWSA-N -1 1 313.365 0.742 20 0 DCADMM NC(=O)[C@@H](C1CC1)N(CC1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592714521 1167608494 /nfs/dbraw/zinc/60/84/94/1167608494.db2.gz QSRBEENYDDYJPR-CYBMUJFWSA-N -1 1 313.365 0.742 20 0 DCADMM NC(=O)C[C@@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592724281 1167614651 /nfs/dbraw/zinc/61/46/51/1167614651.db2.gz FXARWSQPHTYSDC-JTQLQIEISA-N -1 1 315.337 0.132 20 0 DCADMM NC(=O)C[C@@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592724281 1167614655 /nfs/dbraw/zinc/61/46/55/1167614655.db2.gz FXARWSQPHTYSDC-JTQLQIEISA-N -1 1 315.337 0.132 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592735430 1167620948 /nfs/dbraw/zinc/62/09/48/1167620948.db2.gz SZAGHUKBZUKUTG-KYZUINATSA-N -1 1 302.342 0.360 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592735430 1167620952 /nfs/dbraw/zinc/62/09/52/1167620952.db2.gz SZAGHUKBZUKUTG-KYZUINATSA-N -1 1 302.342 0.360 20 0 DCADMM NC(=O)c1cccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001592736662 1167622842 /nfs/dbraw/zinc/62/28/42/1167622842.db2.gz JCHLLBLCSIHMFT-UHFFFAOYSA-N -1 1 309.289 0.613 20 0 DCADMM NC(=O)c1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001592736662 1167622847 /nfs/dbraw/zinc/62/28/47/1167622847.db2.gz JCHLLBLCSIHMFT-UHFFFAOYSA-N -1 1 309.289 0.613 20 0 DCADMM NC(=O)c1cccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001592736670 1167623425 /nfs/dbraw/zinc/62/34/25/1167623425.db2.gz KCVNOFSIRCHGPS-UHFFFAOYSA-N -1 1 309.289 0.613 20 0 DCADMM NC(=O)c1cccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001592736670 1167623429 /nfs/dbraw/zinc/62/34/29/1167623429.db2.gz KCVNOFSIRCHGPS-UHFFFAOYSA-N -1 1 309.289 0.613 20 0 DCADMM NC(=O)c1ccc(Oc2nnccc2-c2nnn[n-]2)c(F)c1 ZINC001592737127 1167623527 /nfs/dbraw/zinc/62/35/27/1167623527.db2.gz ZYNXWSAQAWOERP-UHFFFAOYSA-N -1 1 301.241 0.687 20 0 DCADMM NC(=O)c1ccc(Oc2nnccc2-c2nn[n-]n2)c(F)c1 ZINC001592737127 1167623531 /nfs/dbraw/zinc/62/35/31/1167623531.db2.gz ZYNXWSAQAWOERP-UHFFFAOYSA-N -1 1 301.241 0.687 20 0 DCADMM NC(=O)c1cccc(OC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001592736658 1167623806 /nfs/dbraw/zinc/62/38/06/1167623806.db2.gz INIUUKDNOPHRQC-UHFFFAOYSA-N -1 1 310.273 0.580 20 0 DCADMM NC(=O)c1cccc(OC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001592736658 1167623811 /nfs/dbraw/zinc/62/38/11/1167623811.db2.gz INIUUKDNOPHRQC-UHFFFAOYSA-N -1 1 310.273 0.580 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001592753339 1167631349 /nfs/dbraw/zinc/63/13/49/1167631349.db2.gz UYECAEGRUVEVSO-UHFFFAOYSA-N -1 1 321.304 0.724 20 0 DCADMM O=C(CC(F)(F)F)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001592804664 1167645551 /nfs/dbraw/zinc/64/55/51/1167645551.db2.gz AYBCNKIBOFXVGU-UHFFFAOYSA-N -1 1 316.247 0.137 20 0 DCADMM O=C(CC(F)(F)F)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001592804664 1167645556 /nfs/dbraw/zinc/64/55/56/1167645556.db2.gz AYBCNKIBOFXVGU-UHFFFAOYSA-N -1 1 316.247 0.137 20 0 DCADMM O=C(CCC1CC1)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001592828986 1167646871 /nfs/dbraw/zinc/64/68/71/1167646871.db2.gz WZMKUWGEEFUCQK-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(CCC1CC1)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001592828986 1167646874 /nfs/dbraw/zinc/64/68/74/1167646874.db2.gz WZMKUWGEEFUCQK-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(CC1OCCCO1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592826960 1167647088 /nfs/dbraw/zinc/64/70/88/1167647088.db2.gz HDQMIUAKOXZPFG-UHFFFAOYSA-N -1 1 309.351 0.698 20 0 DCADMM O=C(C[C@@H]1CSCCS1)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001592827726 1167647586 /nfs/dbraw/zinc/64/75/86/1167647586.db2.gz DRHOUGGOYXGTOA-ZCFIWIBFSA-N -1 1 311.396 0.767 20 0 DCADMM O=C(C[C@@H]1CSCCS1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592827726 1167647590 /nfs/dbraw/zinc/64/75/90/1167647590.db2.gz DRHOUGGOYXGTOA-ZCFIWIBFSA-N -1 1 311.396 0.767 20 0 DCADMM O=C(CNC(=O)c1cccc(-c2nnn[n-]2)n1)Nc1ccccc1 ZINC001592870767 1167653034 /nfs/dbraw/zinc/65/30/34/1167653034.db2.gz FXMZGRAGPKXEIR-UHFFFAOYSA-N -1 1 323.316 0.630 20 0 DCADMM O=C(CNC(=O)c1cccc(-c2nn[n-]n2)n1)Nc1ccccc1 ZINC001592870767 1167653038 /nfs/dbraw/zinc/65/30/38/1167653038.db2.gz FXMZGRAGPKXEIR-UHFFFAOYSA-N -1 1 323.316 0.630 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)o1)NC1CCCC1 ZINC001592870774 1167653352 /nfs/dbraw/zinc/65/33/52/1167653352.db2.gz GEDXFVHKHQMABO-UHFFFAOYSA-N -1 1 304.310 0.248 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)o1)NC1CCCC1 ZINC001592870774 1167653360 /nfs/dbraw/zinc/65/33/60/1167653360.db2.gz GEDXFVHKHQMABO-UHFFFAOYSA-N -1 1 304.310 0.248 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)NCC(F)F ZINC001592870953 1167653399 /nfs/dbraw/zinc/65/33/99/1167653399.db2.gz UMVRIIPNUQKQDA-UHFFFAOYSA-N -1 1 316.293 0.039 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)NCC(F)F ZINC001592870953 1167653406 /nfs/dbraw/zinc/65/34/06/1167653406.db2.gz UMVRIIPNUQKQDA-UHFFFAOYSA-N -1 1 316.293 0.039 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCCn1cccn1 ZINC001592914337 1167663220 /nfs/dbraw/zinc/66/32/20/1167663220.db2.gz XGPORHCKKZIPHI-UHFFFAOYSA-N -1 1 312.337 0.207 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCCn1cccn1 ZINC001592914337 1167663224 /nfs/dbraw/zinc/66/32/24/1167663224.db2.gz XGPORHCKKZIPHI-UHFFFAOYSA-N -1 1 312.337 0.207 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCCCc1cnoc1 ZINC001592914419 1167663396 /nfs/dbraw/zinc/66/33/96/1167663396.db2.gz AUBAQTMJHXGXSG-UHFFFAOYSA-N -1 1 314.305 0.968 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCCCc1cnoc1 ZINC001592914419 1167663398 /nfs/dbraw/zinc/66/33/98/1167663398.db2.gz AUBAQTMJHXGXSG-UHFFFAOYSA-N -1 1 314.305 0.968 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC[C@@H](O)C1CC1 ZINC001592913985 1167663453 /nfs/dbraw/zinc/66/34/53/1167663453.db2.gz LWSWJYRIGNATPR-GFCCVEGCSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC[C@@H](O)C1CC1 ZINC001592913985 1167663456 /nfs/dbraw/zinc/66/34/56/1167663456.db2.gz LWSWJYRIGNATPR-GFCCVEGCSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC1SCCS1 ZINC001592913984 1167663850 /nfs/dbraw/zinc/66/38/50/1167663850.db2.gz LWJCHUASXQGRBJ-UHFFFAOYSA-N -1 1 322.419 0.727 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC1SCCS1 ZINC001592913984 1167663853 /nfs/dbraw/zinc/66/38/53/1167663853.db2.gz LWJCHUASXQGRBJ-UHFFFAOYSA-N -1 1 322.419 0.727 20 0 DCADMM O=C(Cc1ccc(-c2nn[nH]n2)nc1)[N-]O[C@@H]1CCCCO1 ZINC001592915824 1167664965 /nfs/dbraw/zinc/66/49/65/1167664965.db2.gz RYBMAVUPOBYGKM-GFCCVEGCSA-N -1 1 304.310 0.379 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCCn2nccc21 ZINC001592915611 1167666390 /nfs/dbraw/zinc/66/63/90/1167666390.db2.gz RMTQLEYCDCRSON-LLVKDONJSA-N -1 1 324.348 0.652 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCCn2nccc21 ZINC001592915611 1167666395 /nfs/dbraw/zinc/66/63/95/1167666395.db2.gz RMTQLEYCDCRSON-LLVKDONJSA-N -1 1 324.348 0.652 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O)NCC1CC1 ZINC001592936725 1167667017 /nfs/dbraw/zinc/66/70/17/1167667017.db2.gz ZAFIBWVHSNHBTI-UHFFFAOYSA-N -1 1 324.344 0.708 20 0 DCADMM O=C(Cn1cc(Cl)cn1)OCc1cccnc1-c1nnn[n-]1 ZINC001592938064 1167667648 /nfs/dbraw/zinc/66/76/48/1167667648.db2.gz ZJVLLYHLWAIJMH-UHFFFAOYSA-N -1 1 319.712 0.855 20 0 DCADMM O=C(Cn1cc(Cl)cn1)OCc1cccnc1-c1nn[n-]n1 ZINC001592938064 1167667650 /nfs/dbraw/zinc/66/76/50/1167667650.db2.gz ZJVLLYHLWAIJMH-UHFFFAOYSA-N -1 1 319.712 0.855 20 0 DCADMM O=C(N[C@H](CO)[C@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001592953777 1167672943 /nfs/dbraw/zinc/67/29/43/1167672943.db2.gz NVBZKSVNIQXQCN-IONNQARKSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@H](CO)[C@H]1CCOC1)c1ccsc1-c1nn[n-]n1 ZINC001592953777 1167672962 /nfs/dbraw/zinc/67/29/62/1167672962.db2.gz NVBZKSVNIQXQCN-IONNQARKSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@@H](CO)CC1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592954210 1167673739 /nfs/dbraw/zinc/67/37/39/1167673739.db2.gz XPQVGAROICIAIT-SECBINFHSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(N[C@@H](CO)CC1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592954210 1167673741 /nfs/dbraw/zinc/67/37/41/1167673741.db2.gz XPQVGAROICIAIT-SECBINFHSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1coc(-c2nnn[n-]2)c1 ZINC001592972278 1167676186 /nfs/dbraw/zinc/67/61/86/1167676186.db2.gz JMAJZFLJIXJTTA-VHSXEESVSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1coc(-c2nn[n-]n2)c1 ZINC001592972278 1167676194 /nfs/dbraw/zinc/67/61/94/1167676194.db2.gz JMAJZFLJIXJTTA-VHSXEESVSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@@H]1CC[C@@H](O)[C@@H](O)CC1)c1csc(-c2nn[n-]n2)c1 ZINC001592995117 1167681152 /nfs/dbraw/zinc/68/11/52/1167681152.db2.gz AQBWVBGWYPCQMR-OWUUHHOZSA-N -1 1 323.378 0.322 20 0 DCADMM O=C(NC[C@H](O)c1ccco1)c1cccc(-c2nnn[n-]2)n1 ZINC001593013398 1167685850 /nfs/dbraw/zinc/68/58/50/1167685850.db2.gz BYTKMLCCUPVBFN-JTQLQIEISA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@H](O)c1ccco1)c1cccc(-c2nn[n-]n2)n1 ZINC001593013398 1167685857 /nfs/dbraw/zinc/68/58/57/1167685857.db2.gz BYTKMLCCUPVBFN-JTQLQIEISA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@H](O)c1cncs1)c1cccc(-c2nnn[n-]2)n1 ZINC001593013975 1167689286 /nfs/dbraw/zinc/68/92/86/1167689286.db2.gz QXWKYEZZUKTVKE-VIFPVBQESA-N -1 1 317.334 0.182 20 0 DCADMM O=C(NC[C@H](O)c1cncs1)c1cccc(-c2nn[n-]n2)n1 ZINC001593013975 1167689288 /nfs/dbraw/zinc/68/92/88/1167689288.db2.gz QXWKYEZZUKTVKE-VIFPVBQESA-N -1 1 317.334 0.182 20 0 DCADMM O=C(NCC[C@@H](O)C(F)F)c1ccsc1-c1nnn[n-]1 ZINC001593056391 1167695893 /nfs/dbraw/zinc/69/58/93/1167695893.db2.gz FREKSJQHNAEHMF-ZCFIWIBFSA-N -1 1 303.294 0.674 20 0 DCADMM O=C(NCC[C@@H](O)C(F)F)c1ccsc1-c1nn[n-]n1 ZINC001593056391 1167695896 /nfs/dbraw/zinc/69/58/96/1167695896.db2.gz FREKSJQHNAEHMF-ZCFIWIBFSA-N -1 1 303.294 0.674 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)[C@@H]1CC=CCC1 ZINC001593091712 1167705005 /nfs/dbraw/zinc/70/50/05/1167705005.db2.gz KGHVFYQNPFXLKT-SNVBAGLBSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)[C@@H]1CC=CCC1 ZINC001593091712 1167705015 /nfs/dbraw/zinc/70/50/15/1167705015.db2.gz KGHVFYQNPFXLKT-SNVBAGLBSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCOc1cccnc1)c1coc(-c2nnn[n-]2)c1 ZINC001593100334 1167709233 /nfs/dbraw/zinc/70/92/33/1167709233.db2.gz ZTVJXLIBYVLKGQ-UHFFFAOYSA-N -1 1 300.278 0.664 20 0 DCADMM O=C(NCCOc1cccnc1)c1coc(-c2nn[n-]n2)c1 ZINC001593100334 1167709237 /nfs/dbraw/zinc/70/92/37/1167709237.db2.gz ZTVJXLIBYVLKGQ-UHFFFAOYSA-N -1 1 300.278 0.664 20 0 DCADMM O=C(NCCc1ccoc1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001593108379 1167711416 /nfs/dbraw/zinc/71/14/16/1167711416.db2.gz UCJGFFCQPVXDJV-UHFFFAOYSA-N -1 1 319.350 0.958 20 0 DCADMM O=C(NCCc1ccoc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001593108379 1167711418 /nfs/dbraw/zinc/71/14/18/1167711418.db2.gz UCJGFFCQPVXDJV-UHFFFAOYSA-N -1 1 319.350 0.958 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@@H](O)C1CCC1 ZINC001593121649 1167716460 /nfs/dbraw/zinc/71/64/60/1167716460.db2.gz MZSOLCMWHUAARU-LBPRGKRZSA-N -1 1 323.303 0.922 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@@H](O)C1CCC1 ZINC001593121649 1167716469 /nfs/dbraw/zinc/71/64/69/1167716469.db2.gz MZSOLCMWHUAARU-LBPRGKRZSA-N -1 1 323.303 0.922 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccn2nccc2n1 ZINC001593146261 1167723849 /nfs/dbraw/zinc/72/38/49/1167723849.db2.gz MSMMIURRRIGPBC-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccn2nccc2n1 ZINC001593146261 1167723859 /nfs/dbraw/zinc/72/38/59/1167723859.db2.gz MSMMIURRRIGPBC-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1C[C@@]12CCOC2 ZINC001593149626 1167725970 /nfs/dbraw/zinc/72/59/70/1167725970.db2.gz QWEWZISNACDGOP-JVXZTZIISA-N -1 1 306.351 0.366 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1C[C@@]12CCOC2 ZINC001593149626 1167725978 /nfs/dbraw/zinc/72/59/78/1167725978.db2.gz QWEWZISNACDGOP-JVXZTZIISA-N -1 1 306.351 0.366 20 0 DCADMM O=C(N[C@H]1CC[C@@H](CO)CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593184744 1167731299 /nfs/dbraw/zinc/73/12/99/1167731299.db2.gz BWBXQRFXCYTXKE-JGZJWPJOSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CC[C@@H](CO)CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593184744 1167731307 /nfs/dbraw/zinc/73/13/07/1167731307.db2.gz BWBXQRFXCYTXKE-JGZJWPJOSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]1O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593174798 1167731743 /nfs/dbraw/zinc/73/17/43/1167731743.db2.gz NWFHEUOWEOLUJT-NXEZZACHSA-N -1 1 309.276 0.788 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]1O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593174798 1167731745 /nfs/dbraw/zinc/73/17/45/1167731745.db2.gz NWFHEUOWEOLUJT-NXEZZACHSA-N -1 1 309.276 0.788 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1Cc2cc(F)ccc2O1 ZINC001593197610 1167734457 /nfs/dbraw/zinc/73/44/57/1167734457.db2.gz NICHYZNWPZRDKC-JTQLQIEISA-N -1 1 315.268 0.671 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1Cc2cc(F)ccc2O1 ZINC001593197610 1167734465 /nfs/dbraw/zinc/73/44/65/1167734465.db2.gz NICHYZNWPZRDKC-JTQLQIEISA-N -1 1 315.268 0.671 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@H](CCO)C1 ZINC001593243500 1167743844 /nfs/dbraw/zinc/74/38/44/1167743844.db2.gz DJTTXQHIEYDESP-SNVBAGLBSA-N -1 1 317.353 0.888 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@H](CCO)C1 ZINC001593243500 1167743850 /nfs/dbraw/zinc/74/38/50/1167743850.db2.gz DJTTXQHIEYDESP-SNVBAGLBSA-N -1 1 317.353 0.888 20 0 DCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CCOCC1 ZINC001593264057 1167748881 /nfs/dbraw/zinc/74/88/81/1167748881.db2.gz JRVSVLMQODKETC-UHFFFAOYSA-N -1 1 315.746 0.841 20 0 DCADMM O=C(OC[C@H]1CCCCNC1=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001593283458 1167757553 /nfs/dbraw/zinc/75/75/53/1167757553.db2.gz CZKRQZWZAZFYNZ-SNVBAGLBSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(OC[C@H]1CCCCNC1=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001593283458 1167757562 /nfs/dbraw/zinc/75/75/62/1167757562.db2.gz CZKRQZWZAZFYNZ-SNVBAGLBSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(OCCO[C@@H]1CCOC1)c1sccc1-c1nn[n-]n1 ZINC001593289986 1167760009 /nfs/dbraw/zinc/76/00/09/1167760009.db2.gz AKLDJWQPBHMKLG-MRVPVSSYSA-N -1 1 310.335 0.891 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCC12COC2 ZINC001593329552 1167776233 /nfs/dbraw/zinc/77/62/33/1167776233.db2.gz QGVODDDCIFAJPV-UHFFFAOYSA-N -1 1 307.260 0.760 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCC12COC2 ZINC001593329552 1167776244 /nfs/dbraw/zinc/77/62/44/1167776244.db2.gz QGVODDDCIFAJPV-UHFFFAOYSA-N -1 1 307.260 0.760 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1cn[nH]c1 ZINC001593336867 1167777529 /nfs/dbraw/zinc/77/75/29/1167777529.db2.gz HFDNTBRAGWKWSC-LBPRGKRZSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1cn[nH]c1 ZINC001593336867 1167777536 /nfs/dbraw/zinc/77/75/36/1167777536.db2.gz HFDNTBRAGWKWSC-LBPRGKRZSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCSC[C@H]1CO ZINC001593338098 1167778094 /nfs/dbraw/zinc/77/80/94/1167778094.db2.gz KRKFRRXBQMMEJT-SSDOTTSWSA-N -1 1 311.392 0.478 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCSC[C@H]1CO ZINC001593338098 1167778103 /nfs/dbraw/zinc/77/81/03/1167778103.db2.gz KRKFRRXBQMMEJT-SSDOTTSWSA-N -1 1 311.392 0.478 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@]12CCOC2=O ZINC001593337375 1167778919 /nfs/dbraw/zinc/77/89/19/1167778919.db2.gz ZYVNBERQXTVQAY-AWEZNQCLSA-N -1 1 314.305 0.183 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@]12CCOC2=O ZINC001593337375 1167778924 /nfs/dbraw/zinc/77/89/24/1167778924.db2.gz ZYVNBERQXTVQAY-AWEZNQCLSA-N -1 1 314.305 0.183 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1c1cc[nH]n1 ZINC001593337371 1167779891 /nfs/dbraw/zinc/77/98/91/1167779891.db2.gz ZRKKRXUMKQYGOA-GFCCVEGCSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1c1cc[nH]n1 ZINC001593337371 1167779898 /nfs/dbraw/zinc/77/98/98/1167779898.db2.gz ZRKKRXUMKQYGOA-GFCCVEGCSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@@H](C2OCCO2)C1 ZINC001593360745 1167783807 /nfs/dbraw/zinc/78/38/07/1167783807.db2.gz DNRVCMPSNSJAIW-MRVPVSSYSA-N -1 1 321.362 0.763 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@@H](C2OCCO2)C1 ZINC001593360745 1167783811 /nfs/dbraw/zinc/78/38/11/1167783811.db2.gz DNRVCMPSNSJAIW-MRVPVSSYSA-N -1 1 321.362 0.763 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCSC[C@@H]1CCO ZINC001593348467 1167784585 /nfs/dbraw/zinc/78/45/85/1167784585.db2.gz ABGFSACNCAKZKE-VIFPVBQESA-N -1 1 320.378 0.202 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCSC[C@@H]1CCO ZINC001593348467 1167784593 /nfs/dbraw/zinc/78/45/93/1167784593.db2.gz ABGFSACNCAKZKE-VIFPVBQESA-N -1 1 320.378 0.202 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCc2ncsc2C1 ZINC001593349007 1167785825 /nfs/dbraw/zinc/78/58/25/1167785825.db2.gz VHFOMYBNMGWHKZ-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCc2ncsc2C1 ZINC001593349007 1167785832 /nfs/dbraw/zinc/78/58/32/1167785832.db2.gz VHFOMYBNMGWHKZ-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM O=C1[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)CN1c1ccccc1 ZINC001593378893 1167794257 /nfs/dbraw/zinc/79/42/57/1167794257.db2.gz SLNVCVKDDGSIAT-ZDUSSCGKSA-N -1 1 307.317 0.511 20 0 DCADMM O=C1[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)CN1c1ccccc1 ZINC001593378893 1167794265 /nfs/dbraw/zinc/79/42/65/1167794265.db2.gz SLNVCVKDDGSIAT-ZDUSSCGKSA-N -1 1 307.317 0.511 20 0 DCADMM O=C(OC[C@H]1CCNC(=O)C1)c1csc(-c2nnn[n-]2)c1 ZINC001593386070 1167796808 /nfs/dbraw/zinc/79/68/08/1167796808.db2.gz OOCUPXDYQALECH-ZETCQYMHSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OC[C@H]1CCNC(=O)C1)c1csc(-c2nn[n-]n2)c1 ZINC001593386070 1167796813 /nfs/dbraw/zinc/79/68/13/1167796813.db2.gz OOCUPXDYQALECH-ZETCQYMHSA-N -1 1 307.335 0.611 20 0 DCADMM O=C1CC[C@H](Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)O1 ZINC001593390496 1167802775 /nfs/dbraw/zinc/80/27/75/1167802775.db2.gz JTCGLBCAYKWRLD-SECBINFHSA-N -1 1 311.301 0.887 20 0 DCADMM O=C1CCCN1[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001593393270 1167808781 /nfs/dbraw/zinc/80/87/81/1167808781.db2.gz XJXCXIKPESJOPU-JTQLQIEISA-N -1 1 314.353 0.248 20 0 DCADMM O=C1CCCN1[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001593393270 1167808791 /nfs/dbraw/zinc/80/87/91/1167808791.db2.gz XJXCXIKPESJOPU-JTQLQIEISA-N -1 1 314.353 0.248 20 0 DCADMM O=C1N[C@H]2CCN(c3cccnc3-c3nnn[n-]3)C[C@@H]2CO1 ZINC001593410977 1167818502 /nfs/dbraw/zinc/81/85/02/1167818502.db2.gz VJUSVKYULMLCPU-BDAKNGLRSA-N -1 1 301.310 0.196 20 0 DCADMM O=C1N[C@H]2CCN(c3cccnc3-c3nn[n-]n3)C[C@@H]2CO1 ZINC001593410977 1167818510 /nfs/dbraw/zinc/81/85/10/1167818510.db2.gz VJUSVKYULMLCPU-BDAKNGLRSA-N -1 1 301.310 0.196 20 0 DCADMM O=S(=O)(NCc1ncc[nH]1)c1ccsc1-c1nn[n-]n1 ZINC001593444184 1167844239 /nfs/dbraw/zinc/84/42/39/1167844239.db2.gz FBWIVLIIMSMVDG-UHFFFAOYSA-N -1 1 311.352 0.130 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)c(F)c1)N1CCCOC1 ZINC001593453522 1167846887 /nfs/dbraw/zinc/84/68/87/1167846887.db2.gz HVNGHVHWZXJSJC-UHFFFAOYSA-N -1 1 313.314 0.374 20 0 DCADMM O=S1(=O)C[C@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C[C@H]2C1 ZINC001593461100 1167849845 /nfs/dbraw/zinc/84/98/45/1167849845.db2.gz QWHOKAWPPSHARL-ZJUUUORDSA-N -1 1 320.378 0.133 20 0 DCADMM O=S1(=O)C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C[C@H]2C1 ZINC001593461100 1167849860 /nfs/dbraw/zinc/84/98/60/1167849860.db2.gz QWHOKAWPPSHARL-ZJUUUORDSA-N -1 1 320.378 0.133 20 0 DCADMM O=S1(=O)CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001593462901 1167854854 /nfs/dbraw/zinc/85/48/54/1167854854.db2.gz IJKZXQAEHAELCC-QMMMGPOBSA-N -1 1 309.355 0.036 20 0 DCADMM O=S1(=O)CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001593462901 1167854861 /nfs/dbraw/zinc/85/48/61/1167854861.db2.gz IJKZXQAEHAELCC-QMMMGPOBSA-N -1 1 309.355 0.036 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@H]1CCC2(CCC2)CO1 ZINC001593494197 1167877730 /nfs/dbraw/zinc/87/77/30/1167877730.db2.gz JPSQAWZEOMWFFJ-SNVBAGLBSA-N -1 1 302.338 0.773 20 0 DCADMM O[C@@]1(CCNc2nc(-c3nn[n-]n3)c(Cl)s2)CCOC1 ZINC001593511837 1167892883 /nfs/dbraw/zinc/89/28/83/1167892883.db2.gz XHXBWOBOMZZFJU-JTQLQIEISA-N -1 1 316.774 0.930 20 0 DCADMM OC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001593520493 1167894334 /nfs/dbraw/zinc/89/43/34/1167894334.db2.gz LBHDXPNPYHKDGT-VXNVDRBHSA-N -1 1 310.745 0.724 20 0 DCADMM OC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC001593520493 1167894339 /nfs/dbraw/zinc/89/43/39/1167894339.db2.gz LBHDXPNPYHKDGT-VXNVDRBHSA-N -1 1 310.745 0.724 20 0 DCADMM OCCCOCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001593531745 1167912208 /nfs/dbraw/zinc/91/22/08/1167912208.db2.gz WHZOQTMSJQMZLV-UHFFFAOYSA-N -1 1 315.337 0.621 20 0 DCADMM OCCCOCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001593531745 1167912215 /nfs/dbraw/zinc/91/22/15/1167912215.db2.gz WHZOQTMSJQMZLV-UHFFFAOYSA-N -1 1 315.337 0.621 20 0 DCADMM Oc1cccc(-c2nnc(Cn3ccnc3-c3nnn[n-]3)o2)c1 ZINC001593540509 1167923948 /nfs/dbraw/zinc/92/39/48/1167923948.db2.gz XXWGYMKFJWKEFJ-UHFFFAOYSA-N -1 1 310.277 0.867 20 0 DCADMM Oc1cccc(-c2nnc(Cn3ccnc3-c3nn[n-]n3)o2)c1 ZINC001593540509 1167923956 /nfs/dbraw/zinc/92/39/56/1167923956.db2.gz XXWGYMKFJWKEFJ-UHFFFAOYSA-N -1 1 310.277 0.867 20 0 DCADMM c1c(-c2nn[n-]n2)nnn1Cc1noc(C2CCCCC2)n1 ZINC001593543473 1167927195 /nfs/dbraw/zinc/92/71/95/1167927195.db2.gz QJPAZRGNPRZUOR-UHFFFAOYSA-N -1 1 301.314 0.937 20 0 DCADMM c1c(-c2nn[n-]n2)nnn1Cc1nc(Cc2ccccc2)no1 ZINC001593575433 1167944112 /nfs/dbraw/zinc/94/41/12/1167944112.db2.gz VNLNCTWUHNAONY-UHFFFAOYSA-N -1 1 309.293 0.480 20 0 DCADMM c1nc(COc2cnc(-c3nn[n-]n3)nc2)nn1-c1ccccc1 ZINC001593569792 1167946174 /nfs/dbraw/zinc/94/61/74/1167946174.db2.gz GKBIWQWJBMIMNB-UHFFFAOYSA-N -1 1 321.304 0.816 20 0 DCADMM c1nnn2c1CN(Cc1nc(-c3nnn[n-]3)cs1)CCC2 ZINC001593596401 1167959651 /nfs/dbraw/zinc/95/96/51/1167959651.db2.gz XHBNNKURRBWURJ-UHFFFAOYSA-N -1 1 303.355 0.321 20 0 DCADMM c1nnn2c1CN(Cc1nc(-c3nn[n-]n3)cs1)CCC2 ZINC001593596401 1167959661 /nfs/dbraw/zinc/95/96/61/1167959661.db2.gz XHBNNKURRBWURJ-UHFFFAOYSA-N -1 1 303.355 0.321 20 0 DCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCCCCO)c1 ZINC001597335779 1168005397 /nfs/dbraw/zinc/00/53/97/1168005397.db2.gz UENDTQWKKBRSRP-UHFFFAOYSA-N -1 1 302.352 0.531 20 0 DCADMM COC(=O)C[C@H](N)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001598870220 1168057989 /nfs/dbraw/zinc/05/79/89/1168057989.db2.gz OESUTMSMEYCNPB-UWVGGRQHSA-N -1 1 300.355 0.226 20 0 DCADMM Cc1cc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n[nH]1 ZINC001600080780 1168113555 /nfs/dbraw/zinc/11/35/55/1168113555.db2.gz USRAOAMYLDLFQE-GHMZBOCLSA-N -1 1 320.349 0.160 20 0 DCADMM Cc1cc(C(=O)[O-])nc(N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 ZINC001600126244 1168125262 /nfs/dbraw/zinc/12/52/62/1168125262.db2.gz NVSBVQDYBWKTQB-STQMWFEESA-N -1 1 306.366 0.519 20 0 DCADMM Cc1cc([C@@H](NC(=O)CCCc2nn[nH]n2)C(=O)[O-])ccc1F ZINC001600146341 1168127014 /nfs/dbraw/zinc/12/70/14/1168127014.db2.gz NSQAJSVQIIQREX-CYBMUJFWSA-N -1 1 321.312 0.912 20 0 DCADMM Cc1cc(C)n2c(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])cnc2n1 ZINC001600179687 1168131045 /nfs/dbraw/zinc/13/10/45/1168131045.db2.gz RGSWPSOZMLZTPC-UHFFFAOYSA-N -1 1 306.322 0.707 20 0 DCADMM Cc1cc(CCC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)no1 ZINC001600189027 1168134476 /nfs/dbraw/zinc/13/44/76/1168134476.db2.gz IJNVHSFMFFTHGG-NSHDSACASA-N -1 1 309.366 0.923 20 0 DCADMM Cc1cc(CN2CCN(C)C[C@H]2CO)cc(C)c1OCC(=O)[O-] ZINC001600195486 1168136464 /nfs/dbraw/zinc/13/64/64/1168136464.db2.gz NEMXCVZEHPPOBB-HNNXBMFYSA-N -1 1 322.405 0.875 20 0 DCADMM Cc1cc(CN[C@H]2CCN(c3cnn(C)c3)C2=O)[nH]c1C(=O)[O-] ZINC001600204997 1168137524 /nfs/dbraw/zinc/13/75/24/1168137524.db2.gz JMFOLFKGLIBESD-LBPRGKRZSA-N -1 1 317.349 0.650 20 0 DCADMM Cc1cc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001600212189 1168138432 /nfs/dbraw/zinc/13/84/32/1168138432.db2.gz HOUHTFQIIPCKIT-LYIQGSDWSA-N -1 1 307.350 0.688 20 0 DCADMM Cc1cc(CNC[C@@]23COC(=O)N2CCOC3)oc1C(=O)[O-] ZINC001600208830 1168138749 /nfs/dbraw/zinc/13/87/49/1168138749.db2.gz WXDZUQQRJLMKMA-CQSZACIVSA-N -1 1 310.306 0.597 20 0 DCADMM Cc1cc(F)cc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001600228959 1168141602 /nfs/dbraw/zinc/14/16/02/1168141602.db2.gz FCFPAXYXPLQIEB-HNNXBMFYSA-N -1 1 309.341 0.895 20 0 DCADMM Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c(C(=O)[O-])[nH]1 ZINC001600243747 1168145826 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0.726 20 0 DCADMM Cc1n[nH]c([C@@H]2CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C2)n1 ZINC001600696050 1168255377 /nfs/dbraw/zinc/25/53/77/1168255377.db2.gz ZNRJWYJSDCWLOP-YPMHNXCESA-N -1 1 323.397 0.518 20 0 DCADMM Cc1nnc([C@@H]2CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C2)[nH]1 ZINC001600696050 1168255380 /nfs/dbraw/zinc/25/53/80/1168255380.db2.gz ZNRJWYJSDCWLOP-YPMHNXCESA-N -1 1 323.397 0.518 20 0 DCADMM Cc1nc(N)nc(C)c1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001600709435 1168260047 /nfs/dbraw/zinc/26/00/47/1168260047.db2.gz NFVCOHHLANBEMF-SECBINFHSA-N -1 1 321.381 0.297 20 0 DCADMM Cc1ncoc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600758697 1168280621 /nfs/dbraw/zinc/28/06/21/1168280621.db2.gz WCKWUOINCAGXCI-VLLVSFFDSA-N -1 1 305.334 0.250 20 0 DCADMM Cc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC001600792147 1168297993 /nfs/dbraw/zinc/29/79/93/1168297993.db2.gz KNSKYXFWHVRFRH-SSDOTTSWSA-N -1 1 317.305 0.627 20 0 DCADMM Cc1nc([C@@H](C)NS(=O)(=O)c2ccccc2C(=O)[O-])n[nH]1 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CO[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)oc2C)[C@@](C)(CO)C1 ZINC001605032007 1169787172 /nfs/dbraw/zinc/78/71/72/1169787172.db2.gz JBUZVKLFIQHGKC-LKFCYVNXSA-N -1 1 321.337 0.380 20 0 DCADMM COC[C@@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC001605059717 1169798884 /nfs/dbraw/zinc/79/88/84/1169798884.db2.gz OHCLJYGNTQATNK-BXUZGUMPSA-N -1 1 318.381 0.846 20 0 DCADMM COC[C@@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC001605059717 1169798890 /nfs/dbraw/zinc/79/88/90/1169798890.db2.gz OHCLJYGNTQATNK-BXUZGUMPSA-N -1 1 318.381 0.846 20 0 DCADMM COCCO[C@@H]1CCCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001605107457 1169825355 /nfs/dbraw/zinc/82/53/55/1169825355.db2.gz GWUHNPZXVZLVEN-SNVBAGLBSA-N -1 1 324.410 0.951 20 0 DCADMM COCCO[C@@H]1CCCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001605107457 1169825360 /nfs/dbraw/zinc/82/53/60/1169825360.db2.gz GWUHNPZXVZLVEN-SNVBAGLBSA-N -1 1 324.410 0.951 20 0 DCADMM COCCOC1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001605107653 1169825416 /nfs/dbraw/zinc/82/54/16/1169825416.db2.gz HZHOOBXUAKLHAS-UHFFFAOYSA-N -1 1 305.342 0.289 20 0 DCADMM COCCOC1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001605107653 1169825426 /nfs/dbraw/zinc/82/54/26/1169825426.db2.gz HZHOOBXUAKLHAS-UHFFFAOYSA-N -1 1 305.342 0.289 20 0 DCADMM COCCOC[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001605109153 1169828115 /nfs/dbraw/zinc/82/81/15/1169828115.db2.gz FECKSEDCZXWMEL-LLVKDONJSA-N -1 1 304.354 0.751 20 0 DCADMM COCCOC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001605109153 1169828118 /nfs/dbraw/zinc/82/81/18/1169828118.db2.gz FECKSEDCZXWMEL-LLVKDONJSA-N -1 1 304.354 0.751 20 0 DCADMM COc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001605257561 1169881191 /nfs/dbraw/zinc/88/11/91/1169881191.db2.gz ONLPLOUQPGNJDN-UHFFFAOYSA-N -1 1 311.305 0.942 20 0 DCADMM COc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(N)c1F ZINC001605260926 1169882736 /nfs/dbraw/zinc/88/27/36/1169882736.db2.gz UUMNHTDGDOHTGW-UHFFFAOYSA-N -1 1 318.272 0.064 20 0 DCADMM COc1ccc(Cl)cc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001605290166 1169887466 /nfs/dbraw/zinc/88/74/66/1169887466.db2.gz TZJSYTQUIHDKNN-UHFFFAOYSA-N -1 1 319.712 0.996 20 0 DCADMM COc1ncc(NC(=O)[C@@]2(C)CCOC2)cc1-c1nn[n-]n1 ZINC001605344688 1169899351 /nfs/dbraw/zinc/89/93/51/1169899351.db2.gz QXLCACFHHAMXDO-ZDUSSCGKSA-N -1 1 304.310 0.635 20 0 DCADMM COc1ncc(NC(=O)C[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC001605349278 1169901498 /nfs/dbraw/zinc/90/14/98/1169901498.db2.gz YZHVMHDRULSTSQ-MRVPVSSYSA-N -1 1 304.310 0.635 20 0 DCADMM COc1ncc(NC(=O)c2ccnnc2C)cc1-c1nn[n-]n1 ZINC001605349133 1169901734 /nfs/dbraw/zinc/90/17/34/1169901734.db2.gz YSMRSLJICJFDFE-UHFFFAOYSA-N -1 1 312.293 0.621 20 0 DCADMM CS(=O)(=O)CCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001605356708 1169902234 /nfs/dbraw/zinc/90/22/34/1169902234.db2.gz JPJXLFGSFHHVCY-UHFFFAOYSA-N -1 1 319.346 0.226 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccco1 ZINC001605399854 1169912528 /nfs/dbraw/zinc/91/25/28/1169912528.db2.gz JEHRIKIEXWCBFP-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccco1 ZINC001605399854 1169912535 /nfs/dbraw/zinc/91/25/35/1169912535.db2.gz JEHRIKIEXWCBFP-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCC1CC1 ZINC001605402266 1169912978 /nfs/dbraw/zinc/91/29/78/1169912978.db2.gz YYFHXBMILPXPQC-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCC1CC1 ZINC001605402266 1169912983 /nfs/dbraw/zinc/91/29/83/1169912983.db2.gz YYFHXBMILPXPQC-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CCN(CC)CCS(=O)(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001605430673 1169919031 /nfs/dbraw/zinc/91/90/31/1169919031.db2.gz FBWQXTIDXAGPBF-VXGBXAGGSA-N -1 1 322.427 0.222 20 0 DCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1cnccn1 ZINC001605441183 1169921666 /nfs/dbraw/zinc/92/16/66/1169921666.db2.gz XTSPBGFDGXNOCP-ZETCQYMHSA-N -1 1 321.322 0.289 20 0 DCADMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)Cc3ccn[nH]3)C2)cn1 ZINC001605492626 1169938896 /nfs/dbraw/zinc/93/88/96/1169938896.db2.gz XWSHKZRGOQNPEW-WDEREUQCSA-N -1 1 317.349 0.403 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC(C)(C)CO ZINC001605509157 1169942880 /nfs/dbraw/zinc/94/28/80/1169942880.db2.gz AYNARVHJLUWVLJ-UHFFFAOYSA-N -1 1 306.326 0.024 20 0 DCADMM CCOC(=O)C[C@@H](O)CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001605532519 1169951523 /nfs/dbraw/zinc/95/15/23/1169951523.db2.gz HYLJVQQRGCWDQE-KCJUWKMLSA-N -1 1 313.272 0.640 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C[C@@H]2CCOC2)C2CC2)n1 ZINC001605555832 1169959348 /nfs/dbraw/zinc/95/93/48/1169959348.db2.gz MWWKNWVNPCAPSI-JTQLQIEISA-N -1 1 301.354 0.970 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C[C@@H]2CCOC2)C2CC2)n1 ZINC001605555832 1169959356 /nfs/dbraw/zinc/95/93/56/1169959356.db2.gz MWWKNWVNPCAPSI-JTQLQIEISA-N -1 1 301.354 0.970 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOc3ncccc3C2)n1 ZINC001605563601 1169961126 /nfs/dbraw/zinc/96/11/26/1169961126.db2.gz BNDOFGJEKQMKBW-UHFFFAOYSA-N -1 1 310.321 0.759 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOc3ncccc3C2)n1 ZINC001605563601 1169961132 /nfs/dbraw/zinc/96/11/32/1169961132.db2.gz BNDOFGJEKQMKBW-UHFFFAOYSA-N -1 1 310.321 0.759 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2(O)Cc3ccccc3C2)n1 ZINC001605573755 1169962220 /nfs/dbraw/zinc/96/22/20/1169962220.db2.gz HJVDSSZULOGTIT-UHFFFAOYSA-N -1 1 323.360 0.907 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2(O)Cc3ccccc3C2)n1 ZINC001605573755 1169962226 /nfs/dbraw/zinc/96/22/26/1169962226.db2.gz HJVDSSZULOGTIT-UHFFFAOYSA-N -1 1 323.360 0.907 20 0 DCADMM CCOC[C@@H](C(=O)[O-])N(C)C[C@@H](O)CC1(O)CCCCC1 ZINC001605623551 1169975664 /nfs/dbraw/zinc/97/56/64/1169975664.db2.gz DKPCIGHWYCQMCU-STQMWFEESA-N -1 1 303.399 0.854 20 0 DCADMM Cc1cc(NCc2cnc3n2CCOC3)nc(-c2nnn[n-]2)c1 ZINC001605740300 1169996648 /nfs/dbraw/zinc/99/66/48/1169996648.db2.gz RWBKFKGNWAWHCL-UHFFFAOYSA-N -1 1 312.337 0.909 20 0 DCADMM Cc1cc(NCc2cnc3n2CCOC3)nc(-c2nn[n-]n2)c1 ZINC001605740300 1169996653 /nfs/dbraw/zinc/99/66/53/1169996653.db2.gz RWBKFKGNWAWHCL-UHFFFAOYSA-N -1 1 312.337 0.909 20 0 DCADMM CCc1nc([C@H](C)NC(=O)Nc2nn(C)cc2C(=O)[O-])n[nH]1 ZINC001605845917 1170010656 /nfs/dbraw/zinc/01/06/56/1170010656.db2.gz TWNKVEBBSSMAMV-LURJTMIESA-N -1 1 307.314 0.682 20 0 DCADMM CCc1nc(C)ncc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001605848721 1170010839 /nfs/dbraw/zinc/01/08/39/1170010839.db2.gz MWRIKSYXHHUFPW-NSHDSACASA-N -1 1 320.393 0.968 20 0 DCADMM CCc1oc(CNCCNC(=O)c2ccn[nH]2)cc1C(=O)[O-] ZINC001605890600 1170023537 /nfs/dbraw/zinc/02/35/37/1170023537.db2.gz NFYABFIHNLGUDP-UHFFFAOYSA-N -1 1 306.322 0.783 20 0 DCADMM Cc1ccn(CN2CC[C@]3(CCOC3)C2)c(=O)c1-c1nn[n-]n1 ZINC001605948960 1170031310 /nfs/dbraw/zinc/03/13/10/1170031310.db2.gz JUHSLUWZHBWDCF-HNNXBMFYSA-N -1 1 316.365 0.407 20 0 DCADMM Cc1ccn(CN(C)Cc2cscn2)c(=O)c1-c1nn[n-]n1 ZINC001605949894 1170033423 /nfs/dbraw/zinc/03/34/23/1170033423.db2.gz UDERNJCIPXTNLI-UHFFFAOYSA-N -1 1 317.378 0.883 20 0 DCADMM Cc1ccn(Cc2ncnn2C(C)C)c(=O)c1-c1nn[n-]n1 ZINC001605952744 1170035239 /nfs/dbraw/zinc/03/52/39/1170035239.db2.gz FJOQYJAXDPEDFH-UHFFFAOYSA-N -1 1 300.326 0.558 20 0 DCADMM Cc1ccoc1C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001605964384 1170037556 /nfs/dbraw/zinc/03/75/56/1170037556.db2.gz MVQJYAKMAUZNPL-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1ccoc1C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001605964384 1170037575 /nfs/dbraw/zinc/03/75/75/1170037575.db2.gz MVQJYAKMAUZNPL-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1cnc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc1 ZINC001605979200 1170041444 /nfs/dbraw/zinc/04/14/44/1170041444.db2.gz UMKHDJIGWDOZKQ-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1cnc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001605979200 1170041448 /nfs/dbraw/zinc/04/14/48/1170041448.db2.gz UMKHDJIGWDOZKQ-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H](C)C2CCOCC2)c1-c1nn[n-]n1 ZINC001606013656 1170048808 /nfs/dbraw/zinc/04/88/08/1170048808.db2.gz UGISERPQZQWDIQ-SSDOTTSWSA-N -1 1 305.342 0.899 20 0 DCADMM CN(C)CC(=O)N1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001606016531 1170051339 /nfs/dbraw/zinc/05/13/39/1170051339.db2.gz MZTWVAULKOCUST-UHFFFAOYSA-N -1 1 323.368 0.730 20 0 DCADMM C[NH+](C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606018980 1170051437 /nfs/dbraw/zinc/05/14/37/1170051437.db2.gz JJGYGOGVCRLOJB-WPRPVWTQSA-N -1 1 317.367 0.524 20 0 DCADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N(C)C)CC2)o1 ZINC001606017820 1170051855 /nfs/dbraw/zinc/05/18/55/1170051855.db2.gz NGNSMMFJRFNOGZ-UHFFFAOYSA-N -1 1 305.342 0.468 20 0 DCADMM Cc1nc(-c2nn[nH]n2)c(-n2[n-]c(C(F)(F)F)cc2=O)o1 ZINC001606019146 1170052593 /nfs/dbraw/zinc/05/25/93/1170052593.db2.gz CTECEJQWSWAMBI-UHFFFAOYSA-N -1 1 301.188 0.818 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(CCCS(=O)(=O)C(C)C)c1C ZINC001606021721 1170053130 /nfs/dbraw/zinc/05/31/30/1170053130.db2.gz ZPIPAGSZCYCIER-UHFFFAOYSA-N -1 1 312.399 0.893 20 0 DCADMM CN(C)c1ccnc(CNS(=O)(=O)CC2(C(=O)[O-])CC2)c1 ZINC001606062090 1170066749 /nfs/dbraw/zinc/06/67/49/1170066749.db2.gz QWGGHUXYKSRGJH-UHFFFAOYSA-N -1 1 313.379 0.432 20 0 DCADMM Cc1nccc(N2CCN(c3cccnc3-c3nn[n-]n3)CC2)n1 ZINC001606094282 1170073487 /nfs/dbraw/zinc/07/34/87/1170073487.db2.gz KRRFNFRXFFAILI-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM CN(C[C@@H](O)COc1ccc(C(=O)[O-])cc1)C(C)(C)C(N)=O ZINC001606095574 1170073514 /nfs/dbraw/zinc/07/35/14/1170073514.db2.gz MVXAFBRYIZXDIR-LLVKDONJSA-N -1 1 310.350 0.320 20 0 DCADMM Cc1ncoc1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606102509 1170077135 /nfs/dbraw/zinc/07/71/35/1170077135.db2.gz LTCXSJVNDMVJOZ-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1ncoc1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606102509 1170077139 /nfs/dbraw/zinc/07/71/39/1170077139.db2.gz LTCXSJVNDMVJOZ-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1nn(Cc2cn3cccnc3n2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606115898 1170081317 /nfs/dbraw/zinc/08/13/17/1170081317.db2.gz HURXRHAUKAONSW-UHFFFAOYSA-N -1 1 323.320 0.131 20 0 DCADMM Cc1nn(Cc2cc3n(n2)CCC3)c(=O)c(-c2nn[n-]n2)c1C ZINC001606116323 1170082032 /nfs/dbraw/zinc/08/20/32/1170082032.db2.gz VFHHZPSSAOWINK-UHFFFAOYSA-N -1 1 312.337 0.231 20 0 DCADMM Cc1nn(CCO)c(NCc2nc(-c3nnn[n-]3)cs2)c1C ZINC001606114560 1170082126 /nfs/dbraw/zinc/08/21/26/1170082126.db2.gz VNMVCFOXBPTLGO-UHFFFAOYSA-N -1 1 320.382 0.741 20 0 DCADMM Cc1nn(CCO)c(NCc2nc(-c3nn[n-]n3)cs2)c1C ZINC001606114560 1170082133 /nfs/dbraw/zinc/08/21/33/1170082133.db2.gz VNMVCFOXBPTLGO-UHFFFAOYSA-N -1 1 320.382 0.741 20 0 DCADMM Cc1noc([C@@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)n1 ZINC001606132601 1170089569 /nfs/dbraw/zinc/08/95/69/1170089569.db2.gz YXYFDZLMNDBLJP-SECBINFHSA-N -1 1 313.325 0.732 20 0 DCADMM Cc1noc([C@@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)n1 ZINC001606132601 1170089576 /nfs/dbraw/zinc/08/95/76/1170089576.db2.gz YXYFDZLMNDBLJP-SECBINFHSA-N -1 1 313.325 0.732 20 0 DCADMM Cc1nonc1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001606138672 1170092612 /nfs/dbraw/zinc/09/26/12/1170092612.db2.gz WNOWZGXWGISNSZ-UHFFFAOYSA-N -1 1 313.321 0.647 20 0 DCADMM Cc1noc(CCNC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001606134436 1170093069 /nfs/dbraw/zinc/09/30/69/1170093069.db2.gz HMWNXPLVYRWJFH-UHFFFAOYSA-N -1 1 305.323 0.592 20 0 DCADMM Cc1noc(CCNC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001606134436 1170093076 /nfs/dbraw/zinc/09/30/76/1170093076.db2.gz HMWNXPLVYRWJFH-UHFFFAOYSA-N -1 1 305.323 0.592 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)[C@@H]1CCNC(=O)C1 ZINC001606169850 1170102237 /nfs/dbraw/zinc/10/22/37/1170102237.db2.gz UTRSAPSYAYOLDM-IONNQARKSA-N -1 1 319.321 0.840 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)[C@@H]1CCNC(=O)C1 ZINC001606169850 1170102241 /nfs/dbraw/zinc/10/22/41/1170102241.db2.gz UTRSAPSYAYOLDM-IONNQARKSA-N -1 1 319.321 0.840 20 0 DCADMM Cn1cc(C(=O)O[C@@H]2C[C@H](C(=O)[O-])[N@@H+](C)C2)c(C(F)(F)F)n1 ZINC001606210992 1170116067 /nfs/dbraw/zinc/11/60/67/1170116067.db2.gz ZQZZNHWVDRTVRO-HTRCEHHLSA-N -1 1 321.255 0.753 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H](C(C)(C)O)C2)n1 ZINC001606223347 1170121216 /nfs/dbraw/zinc/12/12/16/1170121216.db2.gz NDTBPMHQBKFUSQ-QMMMGPOBSA-N -1 1 320.357 0.225 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H](C(C)(C)O)C2)n1 ZINC001606223347 1170121219 /nfs/dbraw/zinc/12/12/19/1170121219.db2.gz NDTBPMHQBKFUSQ-QMMMGPOBSA-N -1 1 320.357 0.225 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(C)(F)CC2)n1 ZINC001606223569 1170121584 /nfs/dbraw/zinc/12/15/84/1170121584.db2.gz TVJCLBCFNGNYOP-UHFFFAOYSA-N -1 1 308.321 0.956 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(C)(F)CC2)n1 ZINC001606223569 1170121588 /nfs/dbraw/zinc/12/15/88/1170121588.db2.gz TVJCLBCFNGNYOP-UHFFFAOYSA-N -1 1 308.321 0.956 20 0 DCADMM CN1CCC[C@H]1c1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])[nH]n1 ZINC001606226205 1170125471 /nfs/dbraw/zinc/12/54/71/1170125471.db2.gz FHFKTDDUDRUKOU-GWCFXTLKSA-N -1 1 322.365 0.492 20 0 DCADMM Cn1cc(C(=O)C(=O)NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001606227044 1170125524 /nfs/dbraw/zinc/12/55/24/1170125524.db2.gz AKUMKMUENDWMMU-UHFFFAOYSA-N -1 1 317.334 0.161 20 0 DCADMM Cn1cc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c(C2CCC2)n1 ZINC001606235661 1170131314 /nfs/dbraw/zinc/13/13/14/1170131314.db2.gz MJRBGZUCZINVCK-GFCCVEGCSA-N -1 1 320.393 0.776 20 0 DCADMM CN1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001606251488 1170137491 /nfs/dbraw/zinc/13/74/91/1170137491.db2.gz YGPRDNGABCKZQZ-WDEREUQCSA-N -1 1 304.412 0.596 20 0 DCADMM Cn1cnc(CNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)n1 ZINC001606263669 1170141295 /nfs/dbraw/zinc/14/12/95/1170141295.db2.gz YPPVMYCKSIXHCZ-UHFFFAOYSA-N -1 1 323.320 0.407 20 0 DCADMM CNC(=O)CCC[N@@H+](C)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC001606269893 1170142690 /nfs/dbraw/zinc/14/26/90/1170142690.db2.gz UBDAWERTHDRYQN-UHFFFAOYSA-N -1 1 310.398 0.933 20 0 DCADMM Cn1nc(N)c2c1CN(c1nc(-c3nn[n-]n3)c(Cl)s1)C2 ZINC001606271202 1170143963 /nfs/dbraw/zinc/14/39/63/1170143963.db2.gz JQKZYJVYMPGPOU-UHFFFAOYSA-N -1 1 323.773 0.813 20 0 DCADMM COC(=O)[C@H](O)C1CCN(Cc2cc(C(=O)[O-])c(C)n2C)CC1 ZINC001606340707 1170163330 /nfs/dbraw/zinc/16/33/30/1170163330.db2.gz AJAWQJOLAJIDLL-CQSZACIVSA-N -1 1 324.377 0.778 20 0 DCADMM COC(=O)C1(NC(=O)[C@H](C)N(C)C)CCC(C(=O)[O-])CC1 ZINC001606352897 1170167976 /nfs/dbraw/zinc/16/79/76/1170167976.db2.gz UFVRSLGDKLYLMY-IPWFMCSPSA-N -1 1 300.355 0.239 20 0 DCADMM COC(=O)[C@@H]1CCN(Cc2n[nH]c(C(C)C)n2)[C@H](C(=O)[O-])C1 ZINC001606414298 1170191464 /nfs/dbraw/zinc/19/14/64/1170191464.db2.gz PCRNIORGZYHRJK-ZJUUUORDSA-N -1 1 310.354 0.766 20 0 DCADMM COC(=O)[C@H]1CN(Cc2ccnn2CC(C)C)C[C@H]1C(=O)[O-] ZINC001606428827 1170197703 /nfs/dbraw/zinc/19/77/03/1170197703.db2.gz GWXGJGLRQKPVEC-OLZOCXBDSA-N -1 1 309.366 0.845 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2cc(OC)ns2)C[C@@H]1C(=O)[O-] ZINC001606431121 1170198260 /nfs/dbraw/zinc/19/82/60/1170198260.db2.gz SNNIHWZGYSRGED-DTWKUNHWSA-N -1 1 300.336 0.457 20 0 DCADMM COC(=O)[C@H]1CN(Cc2cc(C)c(C(=O)[O-])[nH]2)C[C@@H]1C(=O)OC ZINC001606432140 1170199976 /nfs/dbraw/zinc/19/99/76/1170199976.db2.gz YKMUOAHSSYPIJH-QWRGUYRKSA-N -1 1 324.333 0.415 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CSCc1ccncc1 ZINC001606446402 1170206235 /nfs/dbraw/zinc/20/62/35/1170206235.db2.gz NSNARKHBHGTGIZ-UHFFFAOYSA-N -1 1 316.350 0.614 20 0 DCADMM COC(=O)C[C@@H](OC(=O)c1[nH]nc2c1CCCCC2)C(=O)[O-] ZINC001606475875 1170217704 /nfs/dbraw/zinc/21/77/04/1170217704.db2.gz PKSKYAPBJJBACP-SNVBAGLBSA-N -1 1 310.306 0.852 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCc2n[nH]cc2C1 ZINC001606594153 1170238301 /nfs/dbraw/zinc/23/83/01/1170238301.db2.gz FGYRCBDYBMSBHN-NSHDSACASA-N -1 1 324.348 0.201 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)c1ccc(C(F)(F)F)cn1 ZINC001606617483 1170244294 /nfs/dbraw/zinc/24/42/94/1170244294.db2.gz OURACHVQXAROMR-UHFFFAOYSA-N -1 1 324.226 0.755 20 0 DCADMM O=C(N[C@@H](c1ncccn1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606637937 1170251462 /nfs/dbraw/zinc/25/14/62/1170251462.db2.gz HBLFZNXZXVLRGQ-GFCCVEGCSA-N -1 1 322.332 0.933 20 0 DCADMM O=C(N[C@@H](c1ncccn1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606637937 1170251463 /nfs/dbraw/zinc/25/14/63/1170251463.db2.gz HBLFZNXZXVLRGQ-GFCCVEGCSA-N -1 1 322.332 0.933 20 0 DCADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606688545 1170262625 /nfs/dbraw/zinc/26/26/25/1170262625.db2.gz IZLJTHAONXOPRH-BXKDBHETSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606688545 1170262628 /nfs/dbraw/zinc/26/26/28/1170262628.db2.gz IZLJTHAONXOPRH-BXKDBHETSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(NCC(F)(F)C(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001606698799 1170266455 /nfs/dbraw/zinc/26/64/55/1170266455.db2.gz PVNUGDYFZCWMDC-UHFFFAOYSA-N -1 1 304.207 0.892 20 0 DCADMM O=C(NCC(F)(F)C(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001606698799 1170266461 /nfs/dbraw/zinc/26/64/61/1170266461.db2.gz PVNUGDYFZCWMDC-UHFFFAOYSA-N -1 1 304.207 0.892 20 0 DCADMM O=C(NC[C@@H](O)c1cncs1)c1ccc(-c2nnn[n-]2)o1 ZINC001606704550 1170267181 /nfs/dbraw/zinc/26/71/81/1170267181.db2.gz IVRXCOSTDQYFSW-ZCFIWIBFSA-N -1 1 306.307 0.380 20 0 DCADMM O=C(NC[C@@H](O)c1cncs1)c1ccc(-c2nn[n-]n2)o1 ZINC001606704550 1170267183 /nfs/dbraw/zinc/26/71/83/1170267183.db2.gz IVRXCOSTDQYFSW-ZCFIWIBFSA-N -1 1 306.307 0.380 20 0 DCADMM O=C(NC[C@H](O)c1ccco1)c1csc(-c2nn[n-]n2)c1 ZINC001606704989 1170267909 /nfs/dbraw/zinc/26/79/09/1170267909.db2.gz NPNVQSBJHMFOHZ-QMMMGPOBSA-N -1 1 305.319 0.985 20 0 DCADMM O=C(NCC[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606763453 1170281629 /nfs/dbraw/zinc/28/16/29/1170281629.db2.gz RBMZNYAANUBSCG-JTQLQIEISA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCC[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606763453 1170281635 /nfs/dbraw/zinc/28/16/35/1170281635.db2.gz RBMZNYAANUBSCG-JTQLQIEISA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCSCCCO)c1ccsc1-c1nnn[n-]1 ZINC001606790751 1170290723 /nfs/dbraw/zinc/29/07/23/1170290723.db2.gz USQBGLHGISRUJJ-UHFFFAOYSA-N -1 1 313.408 0.774 20 0 DCADMM O=C(NCCSCCCO)c1ccsc1-c1nn[n-]n1 ZINC001606790751 1170290729 /nfs/dbraw/zinc/29/07/29/1170290729.db2.gz USQBGLHGISRUJJ-UHFFFAOYSA-N -1 1 313.408 0.774 20 0 DCADMM COC[C@H](C)[C@@H](C)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001606793526 1170292040 /nfs/dbraw/zinc/29/20/40/1170292040.db2.gz OXLNZQXZBKCUSF-YNEHKIRRSA-N -1 1 300.399 0.912 20 0 DCADMM O=C(NCc1ccc2nonc2c1)c1coc(-c2nnn[n-]2)c1 ZINC001606832194 1170305967 /nfs/dbraw/zinc/30/59/67/1170305967.db2.gz DMAGBROJRKAOKP-UHFFFAOYSA-N -1 1 311.261 0.926 20 0 DCADMM O=C(NCc1ccc2nonc2c1)c1coc(-c2nn[n-]n2)c1 ZINC001606832194 1170305972 /nfs/dbraw/zinc/30/59/72/1170305972.db2.gz DMAGBROJRKAOKP-UHFFFAOYSA-N -1 1 311.261 0.926 20 0 DCADMM COC[C@@H]1CNCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001606847575 1170313622 /nfs/dbraw/zinc/31/36/22/1170313622.db2.gz GZKAPVKHALHGDQ-JTQLQIEISA-N -1 1 311.313 0.976 20 0 DCADMM COCC[C@@H](NC(=O)c1ccc(Cc2nc[nH]n2)cc1)C(=O)[O-] ZINC001606856884 1170315200 /nfs/dbraw/zinc/31/52/00/1170315200.db2.gz NYIJPFFTQNSQMU-GFCCVEGCSA-N -1 1 318.333 0.615 20 0 DCADMM COCC[C@@H](NC(=O)c1cn[nH]c1-c1ccccn1)C(=O)[O-] ZINC001606857064 1170315217 /nfs/dbraw/zinc/31/52/17/1170315217.db2.gz QWYSAZKTVQLNNU-LLVKDONJSA-N -1 1 304.306 0.691 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cn(C2CCC2)nn1 ZINC001606934682 1170334139 /nfs/dbraw/zinc/33/41/39/1170334139.db2.gz HGZWQJJEKNPJDF-UHFFFAOYSA-N -1 1 311.309 0.831 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cn(C2CCC2)nn1 ZINC001606934682 1170334141 /nfs/dbraw/zinc/33/41/41/1170334141.db2.gz HGZWQJJEKNPJDF-UHFFFAOYSA-N -1 1 311.309 0.831 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCn2ccnc2C1 ZINC001606953416 1170338725 /nfs/dbraw/zinc/33/87/25/1170338725.db2.gz PDIOKJLGGTXANT-SSDOTTSWSA-N -1 1 316.350 0.721 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCn2ccnc2C1 ZINC001606953416 1170338733 /nfs/dbraw/zinc/33/87/33/1170338733.db2.gz PDIOKJLGGTXANT-SSDOTTSWSA-N -1 1 316.350 0.721 20 0 DCADMM O=C(OC[C@@H]1C[C@@]12CCOC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001606964747 1170340546 /nfs/dbraw/zinc/34/05/46/1170340546.db2.gz ABBFXSNRSXPKBT-IINYFYTJSA-N -1 1 301.306 0.845 20 0 DCADMM O=C(OC[C@@H]1C[C@@]12CCOC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001606964747 1170340547 /nfs/dbraw/zinc/34/05/47/1170340547.db2.gz ABBFXSNRSXPKBT-IINYFYTJSA-N -1 1 301.306 0.845 20 0 DCADMM O=C(OCCO[C@@H]1CC1(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001606969424 1170343020 /nfs/dbraw/zinc/34/30/20/1170343020.db2.gz CISVSXQNDPJQCA-SECBINFHSA-N -1 1 311.248 0.843 20 0 DCADMM O=C(OCCO[C@@H]1CC1(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001606969424 1170343032 /nfs/dbraw/zinc/34/30/32/1170343032.db2.gz CISVSXQNDPJQCA-SECBINFHSA-N -1 1 311.248 0.843 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCS[C@@H]2COCC[C@@H]21 ZINC001607016633 1170356088 /nfs/dbraw/zinc/35/60/88/1170356088.db2.gz BNZSDEPTUSLDBH-GZMMTYOYSA-N -1 1 321.362 0.806 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCS[C@@H]2COCC[C@@H]21 ZINC001607016633 1170356097 /nfs/dbraw/zinc/35/60/97/1170356097.db2.gz BNZSDEPTUSLDBH-GZMMTYOYSA-N -1 1 321.362 0.806 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H](O)C12CCCC2 ZINC001607017545 1170356415 /nfs/dbraw/zinc/35/64/15/1170356415.db2.gz WKSHCQZHOVHNIG-NSHDSACASA-N -1 1 303.322 0.979 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H](O)C12CCCC2 ZINC001607017545 1170356423 /nfs/dbraw/zinc/35/64/23/1170356423.db2.gz WKSHCQZHOVHNIG-NSHDSACASA-N -1 1 303.322 0.979 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001607027539 1170360350 /nfs/dbraw/zinc/36/03/50/1170360350.db2.gz MQPRANXOMFRMPG-FKTZTGRPSA-N -1 1 305.363 0.771 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001607027539 1170360355 /nfs/dbraw/zinc/36/03/55/1170360355.db2.gz MQPRANXOMFRMPG-FKTZTGRPSA-N -1 1 305.363 0.771 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC001607052574 1170371553 /nfs/dbraw/zinc/37/15/53/1170371553.db2.gz SWYCILOMEMTAGI-KCJUWKMLSA-N -1 1 316.321 0.200 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC001607052574 1170371555 /nfs/dbraw/zinc/37/15/55/1170371555.db2.gz SWYCILOMEMTAGI-KCJUWKMLSA-N -1 1 316.321 0.200 20 0 DCADMM O=C1OCC[C@@H]2CN(Cc3nc(-c4nnn[n-]4)cs3)CCN12 ZINC001607054266 1170372029 /nfs/dbraw/zinc/37/20/29/1170372029.db2.gz GNNHDFFSXOKXCA-MRVPVSSYSA-N -1 1 321.366 0.350 20 0 DCADMM O=C1OCC[C@@H]2CN(Cc3nc(-c4nn[n-]n4)cs3)CCN12 ZINC001607054266 1170372035 /nfs/dbraw/zinc/37/20/35/1170372035.db2.gz GNNHDFFSXOKXCA-MRVPVSSYSA-N -1 1 321.366 0.350 20 0 DCADMM O=S1(=O)CCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001607073097 1170380481 /nfs/dbraw/zinc/38/04/81/1170380481.db2.gz ITIGMIFACZHECX-QMMMGPOBSA-N -1 1 309.355 0.036 20 0 DCADMM O=S1(=O)CCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001607073097 1170380488 /nfs/dbraw/zinc/38/04/88/1170380488.db2.gz ITIGMIFACZHECX-QMMMGPOBSA-N -1 1 309.355 0.036 20 0 DCADMM O=c1[nH]c2ccc(CNc3cncc(-c4nnn[n-]4)n3)cc2[nH]1 ZINC001607088164 1170387201 /nfs/dbraw/zinc/38/72/01/1170387201.db2.gz GQIFLOCINDMQDS-UHFFFAOYSA-N -1 1 309.293 0.851 20 0 DCADMM O=c1[nH]c2ccc(CNc3cncc(-c4nn[n-]n4)n3)cc2[nH]1 ZINC001607088164 1170387207 /nfs/dbraw/zinc/38/72/07/1170387207.db2.gz GQIFLOCINDMQDS-UHFFFAOYSA-N -1 1 309.293 0.851 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cn(-c2ccccc2)nn1 ZINC001607091379 1170390266 /nfs/dbraw/zinc/39/02/66/1170390266.db2.gz KZVWZZSIPGFULK-UHFFFAOYSA-N -1 1 321.304 0.052 20 0 DCADMM O=c1c(-c2nnn[n-]2)cccn1CN(C[C@H]1CCOC1)C1CC1 ZINC001607092585 1170390300 /nfs/dbraw/zinc/39/03/00/1170390300.db2.gz ZUFGCMHCYVDSNR-LLVKDONJSA-N -1 1 316.365 0.487 20 0 DCADMM O[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H]2CCCC[C@@H]12 ZINC001607099992 1170394219 /nfs/dbraw/zinc/39/42/19/1170394219.db2.gz PTPOUXICAWMELP-ADEWGFFLSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H]2CCCC[C@@H]12 ZINC001607099992 1170394225 /nfs/dbraw/zinc/39/42/25/1170394225.db2.gz PTPOUXICAWMELP-ADEWGFFLSA-N -1 1 301.354 0.787 20 0 DCADMM OC[C@H](CNc1ncncc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001607104381 1170396516 /nfs/dbraw/zinc/39/65/16/1170396516.db2.gz XKPZTYQETHVTLV-JTQLQIEISA-N -1 1 315.312 0.984 20 0 DCADMM OCCC1(CCO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 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O=C([O-])c1cn(C2CN(C(=O)c3cccc(F)c3O)C2)nn1 ZINC001608963063 1170776632 /nfs/dbraw/zinc/77/66/32/1170776632.db2.gz SQFQJJRRWCCIBK-UHFFFAOYSA-N -1 1 306.253 0.518 20 0 DCADMM O=C([O-])c1cncc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001608980921 1170780077 /nfs/dbraw/zinc/78/00/77/1170780077.db2.gz VYKFFTHGPOKYHH-JTQLQIEISA-N -1 1 303.322 0.983 20 0 DCADMM O=C([O-])c1cncc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001608980921 1170780080 /nfs/dbraw/zinc/78/00/80/1170780080.db2.gz VYKFFTHGPOKYHH-JTQLQIEISA-N -1 1 303.322 0.983 20 0 DCADMM O=C([O-])c1cn(CCOC(=O)c2ccc3cncn3c2)nn1 ZINC001609024042 1170787483 /nfs/dbraw/zinc/78/74/83/1170787483.db2.gz LKGCZZKCBCGNFS-UHFFFAOYSA-N -1 1 301.262 0.481 20 0 DCADMM CC(=O)N1CCC[C@H](CNc2cccnc2-c2nnn[n-]2)C1 ZINC001609062817 1170795712 /nfs/dbraw/zinc/79/57/12/1170795712.db2.gz ZAXGVIACTOIZLT-LLVKDONJSA-N -1 1 301.354 0.932 20 0 DCADMM CC(=O)N1CCC[C@H](CNc2cccnc2-c2nn[n-]n2)C1 ZINC001609062817 1170795715 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DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)[C@@H](C)O1 ZINC001609172472 1170841966 /nfs/dbraw/zinc/84/19/66/1170841966.db2.gz WVWFWMHKHFUOQF-OPRDCNLKSA-N -1 1 302.338 0.900 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)[C@@H](C)O1 ZINC001609172472 1170841976 /nfs/dbraw/zinc/84/19/76/1170841976.db2.gz WVWFWMHKHFUOQF-OPRDCNLKSA-N -1 1 302.338 0.900 20 0 DCADMM CCC(CC)(NC(=O)c1csc(-c2nn[n-]n2)c1)C(N)=O ZINC001609188783 1170857832 /nfs/dbraw/zinc/85/78/32/1170857832.db2.gz HKPDSLXZIUYIHN-UHFFFAOYSA-N -1 1 308.367 0.702 20 0 DCADMM CC[C@H](NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)[C@@H]1CC1(C)C ZINC001609191604 1170860217 /nfs/dbraw/zinc/86/02/17/1170860217.db2.gz DDNSHMIJOBVRSX-UTLUCORTSA-N -1 1 318.385 0.960 20 0 DCADMM CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H](C)S1(=O)=O ZINC001609202334 1170866920 /nfs/dbraw/zinc/86/69/20/1170866920.db2.gz FFYWWEAGOMSITA-DTWKUNHWSA-N -1 1 323.382 0.059 20 0 DCADMM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H](C)S1(=O)=O ZINC001609202334 1170866928 /nfs/dbraw/zinc/86/69/28/1170866928.db2.gz FFYWWEAGOMSITA-DTWKUNHWSA-N -1 1 323.382 0.059 20 0 DCADMM CCCNC(=O)[C@@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC001609215305 1170873964 /nfs/dbraw/zinc/87/39/64/1170873964.db2.gz AGOSEZHPMKWPLH-SSDOTTSWSA-N -1 1 309.351 1.000 20 0 DCADMM CCN(CC)C(=O)CN(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609222296 1170876848 /nfs/dbraw/zinc/87/68/48/1170876848.db2.gz WFJREMDCWLEULM-UHFFFAOYSA-N -1 1 322.394 0.869 20 0 DCADMM CCN(Cc1ccccn1)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609225656 1170878146 /nfs/dbraw/zinc/87/81/46/1170878146.db2.gz USTJMSPGCYRJCR-UHFFFAOYSA-N -1 1 311.349 0.903 20 0 DCADMM CCOC(=O)c1cnn(CCCC(=O)CC)c1-c1nn[n-]n1 ZINC001609236077 1170890713 /nfs/dbraw/zinc/89/07/13/1170890713.db2.gz RRGGSKXRVDEMCF-UHFFFAOYSA-N -1 1 306.326 0.999 20 0 DCADMM CN(Cc1ccoc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609281051 1170909216 /nfs/dbraw/zinc/90/92/16/1170909216.db2.gz XKCIJYLQKZLCCJ-UHFFFAOYSA-N -1 1 309.307 0.873 20 0 DCADMM CNC(=O)[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001609285941 1170913537 /nfs/dbraw/zinc/91/35/37/1170913537.db2.gz FOMODXSNNBQTOZ-CQSZACIVSA-N -1 1 318.337 0.366 20 0 DCADMM CNC(=O)[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001609285941 1170913542 /nfs/dbraw/zinc/91/35/42/1170913542.db2.gz FOMODXSNNBQTOZ-CQSZACIVSA-N -1 1 318.337 0.366 20 0 DCADMM COC(=O)[C@@H](C)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609292447 1170916749 /nfs/dbraw/zinc/91/67/49/1170916749.db2.gz ISGXUVHXSRRDKH-ZETCQYMHSA-N -1 1 305.298 0.192 20 0 DCADMM COC(=O)[C@@H](C)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609292447 1170916763 /nfs/dbraw/zinc/91/67/63/1170916763.db2.gz ISGXUVHXSRRDKH-ZETCQYMHSA-N -1 1 305.298 0.192 20 0 DCADMM COC(=O)N1CCC[C@@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001609300201 1170922782 /nfs/dbraw/zinc/92/27/82/1170922782.db2.gz IVGTUIDXLCYESJ-SNVBAGLBSA-N -1 1 317.353 0.635 20 0 DCADMM COC(=O)N1CCC[C@@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001609300201 1170922787 /nfs/dbraw/zinc/92/27/87/1170922787.db2.gz IVGTUIDXLCYESJ-SNVBAGLBSA-N -1 1 317.353 0.635 20 0 DCADMM CO[C@H](C)c1noc(CN(C)c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001609309417 1170927854 /nfs/dbraw/zinc/92/78/54/1170927854.db2.gz OUVDLCNOYUCHMD-SSDOTTSWSA-N -1 1 317.313 0.384 20 0 DCADMM CO[C@H](C)c1noc(CN(C)c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001609309417 1170927857 /nfs/dbraw/zinc/92/78/57/1170927857.db2.gz OUVDLCNOYUCHMD-SSDOTTSWSA-N -1 1 317.313 0.384 20 0 DCADMM COC[C@](C)(NC(=O)c1cc(-c2nnn[n-]2)oc1C)C(=O)OC ZINC001609316550 1170932457 /nfs/dbraw/zinc/93/24/57/1170932457.db2.gz DZVVETVVMGUCKL-ZDUSSCGKSA-N -1 1 323.309 0.076 20 0 DCADMM COC[C@](C)(NC(=O)c1cc(-c2nn[n-]n2)oc1C)C(=O)OC ZINC001609316550 1170932461 /nfs/dbraw/zinc/93/24/61/1170932461.db2.gz DZVVETVVMGUCKL-ZDUSSCGKSA-N -1 1 323.309 0.076 20 0 DCADMM COCc1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)co1 ZINC001609331544 1170941254 /nfs/dbraw/zinc/94/12/54/1170941254.db2.gz QLBSLRHNIOBRCX-UHFFFAOYSA-N -1 1 316.277 0.753 20 0 DCADMM COCc1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)co1 ZINC001609331544 1170941256 /nfs/dbraw/zinc/94/12/56/1170941256.db2.gz QLBSLRHNIOBRCX-UHFFFAOYSA-N -1 1 316.277 0.753 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CCCS(=O)(=O)C2)c1 ZINC001609386237 1170958976 /nfs/dbraw/zinc/95/89/76/1170958976.db2.gz FEYHXIBOHCWMSC-SNVBAGLBSA-N -1 1 323.378 0.162 20 0 DCADMM Cc1cc(C(=O)Cn2cncc(-c3nn[n-]n3)c2=O)c(C)s1 ZINC001609393773 1170966134 /nfs/dbraw/zinc/96/61/34/1170966134.db2.gz QGCMLAXXCJPHFB-UHFFFAOYSA-N -1 1 316.346 0.985 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCCN1C(=O)CCC1=O ZINC001609417119 1170972103 /nfs/dbraw/zinc/97/21/03/1170972103.db2.gz PQASMRJGWNQWBW-UHFFFAOYSA-N -1 1 301.310 0.131 20 0 DCADMM Cc1ccn(C[C@@H]2CC3(CC3)C(=O)O2)c(=O)c1-c1nn[n-]n1 ZINC001609437613 1170975786 /nfs/dbraw/zinc/97/57/86/1170975786.db2.gz ONFUNSYZVVBZMY-VIFPVBQESA-N -1 1 301.306 0.433 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)[C@@H]1CCN(C)C1=O ZINC001609467071 1170989022 /nfs/dbraw/zinc/98/90/22/1170989022.db2.gz SYRQLVKIIBHGQY-SECBINFHSA-N -1 1 304.310 0.071 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)[C@@H]1CCN(C)C1=O ZINC001609467071 1170989024 /nfs/dbraw/zinc/98/90/24/1170989024.db2.gz SYRQLVKIIBHGQY-SECBINFHSA-N -1 1 304.310 0.071 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](CO)CC(F)(F)F ZINC001609467378 1170989035 /nfs/dbraw/zinc/98/90/35/1170989035.db2.gz CWOXBVBLXHDSRN-ZCFIWIBFSA-N -1 1 319.243 0.811 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](CO)CC(F)(F)F ZINC001609467378 1170989040 /nfs/dbraw/zinc/98/90/40/1170989040.db2.gz CWOXBVBLXHDSRN-ZCFIWIBFSA-N -1 1 319.243 0.811 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](C)[S@@](=O)CC1 ZINC001609466719 1170989085 /nfs/dbraw/zinc/98/90/85/1170989085.db2.gz HZHFNBHRLIBTBY-ZCAPAMDOSA-N -1 1 323.378 0.751 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](C)[S@@](=O)CC1 ZINC001609466719 1170989087 /nfs/dbraw/zinc/98/90/87/1170989087.db2.gz HZHFNBHRLIBTBY-ZCAPAMDOSA-N -1 1 323.378 0.751 20 0 DCADMM Cc1onc(CC(=O)N2CCSC[C@H](C)C2)c1-c1nnn[n-]1 ZINC001609471117 1170990422 /nfs/dbraw/zinc/99/04/22/1170990422.db2.gz RNTZHFHQAAFPKA-MRVPVSSYSA-N -1 1 322.394 0.917 20 0 DCADMM Cc1onc(CC(=O)N2CCSC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001609471117 1170990427 /nfs/dbraw/zinc/99/04/27/1170990427.db2.gz RNTZHFHQAAFPKA-MRVPVSSYSA-N -1 1 322.394 0.917 20 0 DCADMM Cn1ccnc1[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609480393 1170993987 /nfs/dbraw/zinc/99/39/87/1170993987.db2.gz FFTJFZJKQATSCQ-SECBINFHSA-N -1 1 313.321 0.823 20 0 DCADMM Cn1cnnc1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609481453 1170994471 /nfs/dbraw/zinc/99/44/71/1170994471.db2.gz UXYCTFIDZGXSAE-UHFFFAOYSA-N -1 1 302.273 0.064 20 0 DCADMM Cn1cnnc1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609481453 1170994474 /nfs/dbraw/zinc/99/44/74/1170994474.db2.gz UXYCTFIDZGXSAE-UHFFFAOYSA-N -1 1 302.273 0.064 20 0 DCADMM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001609502255 1171001236 /nfs/dbraw/zinc/00/12/36/1171001236.db2.gz HJYTYVUKVIXLIX-RNSXUZJQSA-N -1 1 319.394 0.409 20 0 DCADMM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001609502255 1171001239 /nfs/dbraw/zinc/00/12/39/1171001239.db2.gz HJYTYVUKVIXLIX-RNSXUZJQSA-N -1 1 319.394 0.409 20 0 DCADMM O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001609543770 1171016549 /nfs/dbraw/zinc/01/65/49/1171016549.db2.gz YRPQHWXPZHDWGG-LKFCYVNXSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001609543770 1171016557 /nfs/dbraw/zinc/01/65/57/1171016557.db2.gz YRPQHWXPZHDWGG-LKFCYVNXSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609557236 1171020713 /nfs/dbraw/zinc/02/07/13/1171020713.db2.gz BJENNQXOHGZWFY-UHFFFAOYSA-N -1 1 311.309 0.118 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609557236 1171020717 /nfs/dbraw/zinc/02/07/17/1171020717.db2.gz BJENNQXOHGZWFY-UHFFFAOYSA-N -1 1 311.309 0.118 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(C[C@H]1CCOC1)C1CC1 ZINC001609584323 1171029682 /nfs/dbraw/zinc/02/96/82/1171029682.db2.gz ZJPHXTDIVFVBJC-SNVBAGLBSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(C[C@H]1CCOC1)C1CC1 ZINC001609584323 1171029690 /nfs/dbraw/zinc/02/96/90/1171029690.db2.gz ZJPHXTDIVFVBJC-SNVBAGLBSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001609581837 1171030636 /nfs/dbraw/zinc/03/06/36/1171030636.db2.gz KXSRRUIAUHHDNW-CABZTGNLSA-N -1 1 319.321 0.480 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001609581837 1171030644 /nfs/dbraw/zinc/03/06/44/1171030644.db2.gz KXSRRUIAUHHDNW-CABZTGNLSA-N -1 1 319.321 0.480 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CC1CCC2(CC1)OCCO2 ZINC001609604200 1171038786 /nfs/dbraw/zinc/03/87/86/1171038786.db2.gz YQXFXHBPCVSLMC-UHFFFAOYSA-N -1 1 317.349 0.962 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CCCCC(F)(F)F ZINC001609604356 1171039123 /nfs/dbraw/zinc/03/91/23/1171039123.db2.gz JPIVPTDWLZHKHG-UHFFFAOYSA-N -1 1 304.232 0.862 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC1OCCO1)CCCC2 ZINC001609604400 1171040057 /nfs/dbraw/zinc/04/00/57/1171040057.db2.gz NADLRNHGLYCJST-UHFFFAOYSA-N -1 1 303.322 0.280 20 0 DCADMM O[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)c1ccccc1F ZINC001609606332 1171043756 /nfs/dbraw/zinc/04/37/56/1171043756.db2.gz CJRXNMMCQRKCFG-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)c1ccccc1F ZINC001609606332 1171043764 /nfs/dbraw/zinc/04/37/64/1171043764.db2.gz CJRXNMMCQRKCFG-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM Oc1ccc(N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001609611165 1171048470 /nfs/dbraw/zinc/04/84/70/1171048470.db2.gz RHNHBJRBLYCPJP-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Oc1ccc(N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001609611165 1171048477 /nfs/dbraw/zinc/04/84/77/1171048477.db2.gz RHNHBJRBLYCPJP-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM c1c(CCNc2cnc(-c3nnn[n-]3)cn2)nc2n1CCS2 ZINC001609621140 1171049779 /nfs/dbraw/zinc/04/97/79/1171049779.db2.gz RQPZCPRBRZHACV-UHFFFAOYSA-N -1 1 315.366 0.614 20 0 DCADMM c1c(CCNc2cnc(-c3nn[n-]n3)cn2)nc2n1CCS2 ZINC001609621140 1171049785 /nfs/dbraw/zinc/04/97/85/1171049785.db2.gz RQPZCPRBRZHACV-UHFFFAOYSA-N -1 1 315.366 0.614 20 0 DCADMM c1ncc(N2CCOC[C@H]2[C@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001609621150 1171050759 /nfs/dbraw/zinc/05/07/59/1171050759.db2.gz SAGNMYIPYWKNGI-WDEREUQCSA-N -1 1 303.326 0.041 20 0 DCADMM c1ncc(N2CCOC[C@H]2[C@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001609621150 1171050766 /nfs/dbraw/zinc/05/07/66/1171050766.db2.gz SAGNMYIPYWKNGI-WDEREUQCSA-N -1 1 303.326 0.041 20 0 DCADMM c1ncc(N2CC[C@@H](C3CCOCC3)C2)nc1-c1nnn[n-]1 ZINC001609621117 1171050992 /nfs/dbraw/zinc/05/09/92/1171050992.db2.gz QXTGDYSULBSMEX-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1ncc(N2CC[C@@H](C3CCOCC3)C2)nc1-c1nn[n-]n1 ZINC001609621117 1171051000 /nfs/dbraw/zinc/05/10/00/1171051000.db2.gz QXTGDYSULBSMEX-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM CC(C)(NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001609678788 1171064356 /nfs/dbraw/zinc/06/43/56/1171064356.db2.gz HLVRCEOMBSOQFG-ZMONIFLSSA-N -1 1 308.256 0.233 20 0 DCADMM CC(C)C[C@@H](NC(=O)CSc1nc(N)cc(N)n1)C(=O)[O-] ZINC001609694537 1171069286 /nfs/dbraw/zinc/06/92/86/1171069286.db2.gz FGKBUMJOBQDPIM-SSDOTTSWSA-N -1 1 313.383 0.349 20 0 DCADMM CC(C)N(C(=O)CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1)C(C)C ZINC001609703872 1171070446 /nfs/dbraw/zinc/07/04/46/1171070446.db2.gz QPJXUVAQURDMMJ-LBPRGKRZSA-N -1 1 323.397 0.869 20 0 DCADMM CC(C)OC[C@H](C(=O)[O-])N(C)C[C@H]1CCCS(=O)(=O)C1 ZINC001609710078 1171071945 /nfs/dbraw/zinc/07/19/45/1171071945.db2.gz JWBKZKBIWGRLNB-VXGBXAGGSA-N -1 1 307.412 0.621 20 0 DCADMM CC(C)Nc1ncccc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001609708141 1171072128 /nfs/dbraw/zinc/07/21/28/1171072128.db2.gz NNIXHKQNQDCJDP-LBPRGKRZSA-N -1 1 320.393 0.990 20 0 DCADMM CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CCN1 ZINC001609717277 1171074122 /nfs/dbraw/zinc/07/41/22/1171074122.db2.gz FYHWYUWELSFQQL-CYBMUJFWSA-N -1 1 319.361 0.780 20 0 DCADMM 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0.791 20 0 DCADMM O=C(c1cc2c(cn1)OCCC2)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001446591110 1012853149 /nfs/dbraw/zinc/85/31/49/1012853149.db2.gz JRDBQWXKZLLOQQ-NSHDSACASA-N -1 1 314.349 0.940 20 0 DCADMM Cc1ccc(N2C[C@H](C(=O)N(C)c3nn[n-]n3)CC2=O)cc1C ZINC001461560209 1013029059 /nfs/dbraw/zinc/02/90/59/1013029059.db2.gz TVHQMSPJVFGPRR-LLVKDONJSA-N -1 1 314.349 0.832 20 0 DCADMM Cc1nc(CS(=O)(=O)[N-][C@H](C)[C@@H](O)C(F)(F)F)no1 ZINC001475566185 1017120618 /nfs/dbraw/zinc/12/06/18/1017120618.db2.gz AGEGFGTXWVKNKJ-CLZZGJSISA-N -1 1 303.262 0.109 20 0 DCADMM CC[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1csnc1OC ZINC001475675357 1017135134 /nfs/dbraw/zinc/13/51/34/1017135134.db2.gz XQBHHPAQCCEMSB-HTQZYQBOSA-N -1 1 321.424 0.733 20 0 DCADMM CCc1ccc2c(c1)CN(C(=O)[C@@]1(C(=O)[O-])CNCCO1)CC2 ZINC001516062330 1017139002 /nfs/dbraw/zinc/13/90/02/1017139002.db2.gz YQRWZTPUBLCYOH-QGZVFWFLSA-N -1 1 318.373 0.577 20 0 DCADMM COC(=O)C1([N-]S(=O)(=O)c2cc(C)ns2)CC(CO)C1 ZINC001475784006 1017156164 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C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)CC(C)(C)O ZINC001510528548 1017690592 /nfs/dbraw/zinc/69/05/92/1017690592.db2.gz SYPWAJMURSLDFH-SNVBAGLBSA-N -1 1 309.366 0.525 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)COCC2CC2)CC1 ZINC001506954811 1017698494 /nfs/dbraw/zinc/69/84/94/1017698494.db2.gz MWCKKVXGLNQXSJ-UHFFFAOYSA-N -1 1 323.397 0.360 20 0 DCADMM COCCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001479826437 1017837347 /nfs/dbraw/zinc/83/73/47/1017837347.db2.gz URNDOFMCXVHBAP-MNOVXSKESA-N -1 1 311.386 0.406 20 0 DCADMM CCN(CCCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1n[nH]c(=O)[n-]1 ZINC001479847006 1017880588 /nfs/dbraw/zinc/88/05/88/1017880588.db2.gz FCXOLFZQLNVWMF-GFCCVEGCSA-N -1 1 324.429 0.323 20 0 DCADMM CCN(CCCNC(=O)c1cn(CC)cn1)Cc1n[nH]c(=O)[n-]1 ZINC001479859939 1017903922 /nfs/dbraw/zinc/90/39/22/1017903922.db2.gz NSGGGNWHNPCCSR-UHFFFAOYSA-N -1 1 321.385 0.369 20 0 DCADMM CN(C(=O)CCC1CCCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001499627839 1018008229 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DCADMM CCOCC(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001495128437 1018335962 /nfs/dbraw/zinc/33/59/62/1018335962.db2.gz QQTYJLCVMQXVKP-LLVKDONJSA-N -1 1 307.350 0.402 20 0 DCADMM COC[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001495152845 1018357463 /nfs/dbraw/zinc/35/74/63/1018357463.db2.gz OUBVXQJSFTVZBV-NWDGAFQWSA-N -1 1 321.377 0.648 20 0 DCADMM CCc1cc(C(=O)NC[C@H](C)NCc2n[nH]c(=O)[n-]2)cc(=O)[nH]1 ZINC001480506201 1018612867 /nfs/dbraw/zinc/61/28/67/1018612867.db2.gz VCMHIHPNRDWTLS-QMMMGPOBSA-N -1 1 320.353 0.081 20 0 DCADMM COCC1(C(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001498051015 1018614736 /nfs/dbraw/zinc/61/47/36/1018614736.db2.gz LIPPYFHNMOMTDJ-JTQLQIEISA-N -1 1 311.386 0.311 20 0 DCADMM COCCCCC(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001495906976 1018853615 /nfs/dbraw/zinc/85/36/15/1018853615.db2.gz XLTUVXACUZNNRR-UHFFFAOYSA-N -1 1 309.366 0.792 20 0 DCADMM Cc1ccc(C(=O)N(C)[C@@H](C)CNCc2n[nH]c(=O)[n-]2)nc1C ZINC001496115633 1019080967 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ZINC000826307504 607869099 /nfs/dbraw/zinc/86/90/99/607869099.db2.gz KYXVLZBYIWYXJO-JTQLQIEISA-N -1 1 301.310 0.207 20 0 DCADMM CC(C)NS(=O)(=O)CCNc1cccc(-c2nnn[n-]2)n1 ZINC000824305658 607897925 /nfs/dbraw/zinc/89/79/25/607897925.db2.gz SDAHJRVORKXIOA-UHFFFAOYSA-N -1 1 311.371 0.001 20 0 DCADMM CC(C)NS(=O)(=O)CCNc1cccc(-c2nn[n-]n2)n1 ZINC000824305658 607897926 /nfs/dbraw/zinc/89/79/26/607897926.db2.gz SDAHJRVORKXIOA-UHFFFAOYSA-N -1 1 311.371 0.001 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000826438186 607988644 /nfs/dbraw/zinc/98/86/44/607988644.db2.gz QVIUBTPPOZJZNN-UHFFFAOYSA-N -1 1 310.321 0.499 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000826438186 607988645 /nfs/dbraw/zinc/98/86/45/607988645.db2.gz QVIUBTPPOZJZNN-UHFFFAOYSA-N -1 1 310.321 0.499 20 0 DCADMM Cc1noc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC000826339516 607989921 /nfs/dbraw/zinc/98/99/21/607989921.db2.gz HLGAPPKJTDCQNW-UHFFFAOYSA-N -1 1 313.325 0.732 20 0 DCADMM Cc1noc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC000826339516 607989922 /nfs/dbraw/zinc/98/99/22/607989922.db2.gz HLGAPPKJTDCQNW-UHFFFAOYSA-N -1 1 313.325 0.732 20 0 DCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCCO2)n1 ZINC000819971869 608157174 /nfs/dbraw/zinc/15/71/74/608157174.db2.gz VFQVECCOMSWPFP-VIFPVBQESA-N -1 1 305.342 0.936 20 0 DCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCCO2)n1 ZINC000819971869 608157177 /nfs/dbraw/zinc/15/71/77/608157177.db2.gz VFQVECCOMSWPFP-VIFPVBQESA-N -1 1 305.342 0.936 20 0 DCADMM C[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000824883438 608165549 /nfs/dbraw/zinc/16/55/49/608165549.db2.gz GZBVXODDCYGOSP-VHSXEESVSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000824883438 608165550 /nfs/dbraw/zinc/16/55/50/608165550.db2.gz GZBVXODDCYGOSP-VHSXEESVSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1CO[C@H](CO)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825006695 608186708 /nfs/dbraw/zinc/18/67/08/608186708.db2.gz OCQZWHOFIZKDJO-YUMQZZPRSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1CO[C@H](CO)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825006695 608186710 /nfs/dbraw/zinc/18/67/10/608186710.db2.gz OCQZWHOFIZKDJO-YUMQZZPRSA-N -1 1 309.351 0.150 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C=C2CCSCC2)n1 ZINC000826356731 608262725 /nfs/dbraw/zinc/26/27/25/608262725.db2.gz CWLFQNNATDNHLN-UHFFFAOYSA-N -1 1 305.367 0.992 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C=C2CCSCC2)n1 ZINC000826356731 608262727 /nfs/dbraw/zinc/26/27/27/608262727.db2.gz CWLFQNNATDNHLN-UHFFFAOYSA-N -1 1 305.367 0.992 20 0 DCADMM CCN(CC)C(=O)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000825405777 608397834 /nfs/dbraw/zinc/39/78/34/608397834.db2.gz FSZPBIXMIVBVNY-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCN(CC)C(=O)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000825405777 608397835 /nfs/dbraw/zinc/39/78/35/608397835.db2.gz FSZPBIXMIVBVNY-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCc1nnc2n1C[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000825771631 608407960 /nfs/dbraw/zinc/40/79/60/608407960.db2.gz NJOHUQJPPDQTMO-MRVPVSSYSA-N -1 1 312.341 0.238 20 0 DCADMM CCc1nnc2n1C[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000825771631 608407961 /nfs/dbraw/zinc/40/79/61/608407961.db2.gz NJOHUQJPPDQTMO-MRVPVSSYSA-N -1 1 312.341 0.238 20 0 DCADMM OC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC000826508037 608420140 /nfs/dbraw/zinc/42/01/40/608420140.db2.gz BVVWFVXCUBYKJT-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM OC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC000826508037 608420141 /nfs/dbraw/zinc/42/01/41/608420141.db2.gz BVVWFVXCUBYKJT-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM COC(=O)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC000826103612 608422985 /nfs/dbraw/zinc/42/29/85/608422985.db2.gz IPQFKHWBONONAQ-SECBINFHSA-N -1 1 305.342 0.904 20 0 DCADMM COC(=O)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC000826103612 608422987 /nfs/dbraw/zinc/42/29/87/608422987.db2.gz IPQFKHWBONONAQ-SECBINFHSA-N -1 1 305.342 0.904 20 0 DCADMM FC(F)CN1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826369521 608441377 /nfs/dbraw/zinc/44/13/77/608441377.db2.gz GNSYTXXPXNWFNW-UHFFFAOYSA-N -1 1 310.312 0.434 20 0 DCADMM FC(F)CN1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826369521 608441379 /nfs/dbraw/zinc/44/13/79/608441379.db2.gz GNSYTXXPXNWFNW-UHFFFAOYSA-N -1 1 310.312 0.434 20 0 DCADMM CN(CC1CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825915260 608449446 /nfs/dbraw/zinc/44/94/46/608449446.db2.gz WAIDLRPIBCOIAF-UHFFFAOYSA-N -1 1 302.338 0.760 20 0 DCADMM CN(CC1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825915260 608449448 /nfs/dbraw/zinc/44/94/48/608449448.db2.gz WAIDLRPIBCOIAF-UHFFFAOYSA-N -1 1 302.338 0.760 20 0 DCADMM CC(=O)N[C@H]1CCCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC000823989360 608543794 /nfs/dbraw/zinc/54/37/94/608543794.db2.gz VBBMISBGRZQINW-NSHDSACASA-N -1 1 301.354 0.675 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)CCN1CCCC1=O ZINC000826280036 608544194 /nfs/dbraw/zinc/54/41/94/608544194.db2.gz LQCXGWSWNLTLDQ-UHFFFAOYSA-N -1 1 301.354 0.629 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C=C1CCC1 ZINC000825923774 608560555 /nfs/dbraw/zinc/56/05/55/608560555.db2.gz VIBMZYPKVJUSHC-UHFFFAOYSA-N -1 1 316.369 0.673 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C=C1CCC1 ZINC000825923774 608560557 /nfs/dbraw/zinc/56/05/57/608560557.db2.gz VIBMZYPKVJUSHC-UHFFFAOYSA-N -1 1 316.369 0.673 20 0 DCADMM Cc1nc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)no1 ZINC000826324911 608663967 /nfs/dbraw/zinc/66/39/67/608663967.db2.gz IFRPSZMTVMGTNN-NSHDSACASA-N -1 1 317.309 0.725 20 0 DCADMM Cc1nc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)no1 ZINC000826324911 608663969 /nfs/dbraw/zinc/66/39/69/608663969.db2.gz IFRPSZMTVMGTNN-NSHDSACASA-N -1 1 317.309 0.725 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000824507120 609158224 /nfs/dbraw/zinc/15/82/24/609158224.db2.gz UGCQKXIYAJLVML-BDAKNGLRSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000824507120 609158225 /nfs/dbraw/zinc/15/82/25/609158225.db2.gz UGCQKXIYAJLVML-BDAKNGLRSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@@H](O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824678838 609312321 /nfs/dbraw/zinc/31/23/21/609312321.db2.gz PLYATPLMZFHHFF-SSDOTTSWSA-N -1 1 317.284 0.511 20 0 DCADMM CC[C@H](C)n1nc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1C ZINC000825082106 609404409 /nfs/dbraw/zinc/40/44/09/609404409.db2.gz QHHYOZBFBIMMHD-ZETCQYMHSA-N -1 1 315.341 0.810 20 0 DCADMM O=S(=O)(Cc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC000826486807 609511524 /nfs/dbraw/zinc/51/15/24/609511524.db2.gz RRKQDHJSRXOPDB-SNVBAGLBSA-N -1 1 309.351 0.356 20 0 DCADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC000826486807 609511526 /nfs/dbraw/zinc/51/15/26/609511526.db2.gz RRKQDHJSRXOPDB-SNVBAGLBSA-N -1 1 309.351 0.356 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2c(F)cccc2F)c1=O ZINC000826356667 609515208 /nfs/dbraw/zinc/51/52/08/609515208.db2.gz AJURIINVRDEIPA-UHFFFAOYSA-N -1 1 320.259 0.054 20 0 DCADMM O=S1(=O)CCCC[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000826497006 609590060 /nfs/dbraw/zinc/59/00/60/609590060.db2.gz QRYRTSMSQXGUDR-VIFPVBQESA-N -1 1 308.367 0.641 20 0 DCADMM O=S1(=O)CCCC[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000826497006 609590061 /nfs/dbraw/zinc/59/00/61/609590061.db2.gz QRYRTSMSQXGUDR-VIFPVBQESA-N -1 1 308.367 0.641 20 0 DCADMM c1cnc(N2CCC([C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)n1 ZINC000826525657 609591955 /nfs/dbraw/zinc/59/19/55/609591955.db2.gz UCKCLZOHONSUSN-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1cnc(N2CCC([C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)n1 ZINC000826525657 609591958 /nfs/dbraw/zinc/59/19/58/609591958.db2.gz UCKCLZOHONSUSN-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM CN(Cc1cc(C(=O)[O-])cs1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000711494073 667479922 /nfs/dbraw/zinc/47/99/22/667479922.db2.gz URKDBGYFVQTRGJ-SNVBAGLBSA-N -1 1 318.420 0.912 20 0 DCADMM O=S(=O)(CC[N-]S(=O)(=O)c1ccns1)CC1CC1 ZINC000885063910 667642020 /nfs/dbraw/zinc/64/20/20/667642020.db2.gz MWTONSPXYGEGSY-UHFFFAOYSA-N -1 1 310.422 0.246 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)CC2(C)CC2)CCO1 ZINC000979387188 660735734 /nfs/dbraw/zinc/73/57/34/660735734.db2.gz YFQJGNATGODWAK-WDEREUQCSA-N -1 1 323.397 0.406 20 0 DCADMM CCC1(C(=O)N2CCO[C@H]([C@@H](C)NCc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000979403705 660740763 /nfs/dbraw/zinc/74/07/63/660740763.db2.gz WGZJZAGYOXGUJN-MNOVXSKESA-N -1 1 323.397 0.406 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000979432980 660745366 /nfs/dbraw/zinc/74/53/66/660745366.db2.gz QJTONQSEGMFLJF-VHSXEESVSA-N -1 1 311.386 0.262 20 0 DCADMM O=C(N[C@@H]1C[C@@H](CNC(=O)c2ccc(F)nc2)C1)c1cnn[nH]1 ZINC000979577988 660784306 /nfs/dbraw/zinc/78/43/06/660784306.db2.gz KKUSAXYBJUBPPB-CZMCAQCFSA-N -1 1 318.312 0.277 20 0 DCADMM Cn1cc(CN2CCC[C@H]2CNC(=O)c2ncccc2[O-])cn1 ZINC001027843799 660827050 /nfs/dbraw/zinc/82/70/50/660827050.db2.gz HSLQILMKSXXVQZ-ZDUSSCGKSA-N -1 1 315.377 0.915 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CCC(NC(C)=O)CC1 ZINC000979958117 660843169 /nfs/dbraw/zinc/84/31/69/660843169.db2.gz KPXDVNLEAMZUGT-UHFFFAOYSA-N -1 1 324.337 0.074 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)CCC3CCC3)CC2)nc1=O ZINC000980928914 661046963 /nfs/dbraw/zinc/04/69/63/661046963.db2.gz WQFUYJSZMCGTNV-UHFFFAOYSA-N -1 1 321.425 0.723 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H](NCc3cnon3)C2)c1[O-] ZINC000981016667 661064177 /nfs/dbraw/zinc/06/41/77/661064177.db2.gz AXILQYCVZYVHML-ZJUUUORDSA-N -1 1 320.353 0.638 20 0 DCADMM Cc1cc(C(=O)[N-]NC(=O)[C@H]2COc3ccccc3O2)n[nH]1 ZINC000054060638 661109686 /nfs/dbraw/zinc/10/96/86/661109686.db2.gz IYTDFEUAMGHMSI-GFCCVEGCSA-N -1 1 302.290 0.319 20 0 DCADMM O=C([N-]CC1CCN(c2cnc(CO)cn2)CC1)C(F)(F)F ZINC000893669714 661250506 /nfs/dbraw/zinc/25/05/06/661250506.db2.gz SSOIUKXYOHNFAI-UHFFFAOYSA-N -1 1 318.299 0.864 20 0 DCADMM C[C@H](O)CN1CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001038923304 661269810 /nfs/dbraw/zinc/26/98/10/661269810.db2.gz RJMPOLNHVYIVCA-DTWKUNHWSA-N -1 1 306.322 0.113 20 0 DCADMM O=C(Cc1ccco1)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000998242820 665421607 /nfs/dbraw/zinc/42/16/07/665421607.db2.gz OVZGKMYKPNIQAT-UHFFFAOYSA-N -1 1 301.302 0.564 20 0 DCADMM O=C(C[C@H]1C=CCC1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998490177 665466430 /nfs/dbraw/zinc/46/64/30/665466430.db2.gz QKIGMNZVROOEDI-RYUDHWBXSA-N -1 1 305.382 0.947 20 0 DCADMM CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000970393296 657472468 /nfs/dbraw/zinc/47/24/68/657472468.db2.gz LLHIWJVGUKCBJP-NQBHXWOUSA-N -1 1 321.425 0.481 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNCc3cnon3)C2)c1[O-] ZINC000994881869 665489325 /nfs/dbraw/zinc/48/93/25/665489325.db2.gz UBKMHLIQGHQJIV-VHSXEESVSA-N -1 1 320.353 0.495 20 0 DCADMM CN1CCN(C)CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000888988275 657512029 /nfs/dbraw/zinc/51/20/29/657512029.db2.gz IECLWZVFNCKQHR-UHFFFAOYSA-N -1 1 313.348 0.990 20 0 DCADMM Cn1[n-]c(CN2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)nc1=O ZINC000949254478 657521247 /nfs/dbraw/zinc/52/12/47/657521247.db2.gz NSWDHYIGMWIRNU-VXGBXAGGSA-N -1 1 321.425 0.435 20 0 DCADMM Cn1[n-]c(CN2CC[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)nc1=O ZINC001010444397 657529878 /nfs/dbraw/zinc/52/98/78/657529878.db2.gz XUJDRUVOLYJALA-JTQLQIEISA-N -1 1 321.425 0.481 20 0 DCADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)c1cccnc1 ZINC000939130478 665499608 /nfs/dbraw/zinc/49/96/08/665499608.db2.gz UXPUHPZOLPHXGO-GFCCVEGCSA-N -1 1 312.329 0.827 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)C1CC1 ZINC001023323279 657747504 /nfs/dbraw/zinc/74/75/04/657747504.db2.gz OTVBVSZSZJPASZ-IRUJWGPZSA-N -1 1 319.361 0.135 20 0 DCADMM Cc1ccccc1CC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970680750 657778710 /nfs/dbraw/zinc/77/87/10/657778710.db2.gz YULRIBHJRJOABM-CYBMUJFWSA-N -1 1 315.377 0.752 20 0 DCADMM Cc1nonc1CN1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001038195489 657827156 /nfs/dbraw/zinc/82/71/56/657827156.db2.gz UOKVOXPADZQIQJ-SNVBAGLBSA-N -1 1 303.322 0.483 20 0 DCADMM Cc1cnc(CN2CC[C@@H]2CNC(=O)c2ncccc2[O-])nc1 ZINC001038195644 657831035 /nfs/dbraw/zinc/83/10/35/657831035.db2.gz WXJYARTXJBVJAP-GFCCVEGCSA-N -1 1 313.361 0.890 20 0 DCADMM C/C=C(\C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023488840 657921975 /nfs/dbraw/zinc/92/19/75/657921975.db2.gz ZJYFWLHLJBNJKS-ZWAIMYQESA-N -1 1 305.334 0.055 20 0 DCADMM O=C(c1cccc(=O)[nH]1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998840171 665539104 /nfs/dbraw/zinc/53/91/04/665539104.db2.gz QAOZPIYDJBLZRV-VIFPVBQESA-N -1 1 318.337 0.005 20 0 DCADMM COCc1nc(N2CCC[C@@H](N3CCNC3=O)C2)cc(=O)[n-]1 ZINC000892002643 658095655 /nfs/dbraw/zinc/09/56/55/658095655.db2.gz VJUBQUJSKAVHPI-SNVBAGLBSA-N -1 1 307.354 0.323 20 0 DCADMM COCCS(=O)(=O)[N-]Cc1nc(Cc2ccccc2)no1 ZINC000725828861 658126199 /nfs/dbraw/zinc/12/61/99/658126199.db2.gz MGKDJGFYJHJAOX-UHFFFAOYSA-N -1 1 311.363 0.726 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000971040207 658213436 /nfs/dbraw/zinc/21/34/36/658213436.db2.gz HJRWZMSQMSIUKY-CHWSQXEVSA-N -1 1 319.409 0.497 20 0 DCADMM Cc1nnc(CN[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)o1 ZINC000998997985 665560118 /nfs/dbraw/zinc/56/01/18/665560118.db2.gz WFJHXSSVEHETFE-LLVKDONJSA-N -1 1 317.349 0.873 20 0 DCADMM CS(=O)(=O)c1cc(C(=O)NCc2nn[n-]n2)ccc1Cl ZINC000044927469 658395651 /nfs/dbraw/zinc/39/56/51/658395651.db2.gz YOJYPJKMFVGLET-UHFFFAOYSA-N -1 1 315.742 0.187 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)C2C(C)(C)C2(C)C)nc1=O ZINC001038139718 658412574 /nfs/dbraw/zinc/41/25/74/658412574.db2.gz DOKNFBDAVPCWGF-JTQLQIEISA-N -1 1 321.425 0.481 20 0 DCADMM CC[C@]1(C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[n-]2)C1 ZINC001020857541 658525817 /nfs/dbraw/zinc/52/58/17/658525817.db2.gz MIFKAOCRLCEURD-USXUVBGUSA-N -1 1 307.398 0.281 20 0 DCADMM Cc1cc(CN[C@H]2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)on1 ZINC001021973731 658699563 /nfs/dbraw/zinc/69/95/63/658699563.db2.gz LJSYVVDAAGGUAS-AOOOYVTPSA-N -1 1 305.338 0.771 20 0 DCADMM 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/nfs/dbraw/zinc/65/54/66/1163655466.db2.gz YBMRLXYGWBULEK-RKDXNWHRSA-N -1 1 314.367 0.344 20 0 DCADMM Cc1n[nH]c(SCC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])n1 ZINC001574183148 1163655470 /nfs/dbraw/zinc/65/54/70/1163655470.db2.gz YBMRLXYGWBULEK-RKDXNWHRSA-N -1 1 314.367 0.344 20 0 DCADMM Cc1nc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)ccc1C(=O)[O-] ZINC001574182341 1163655598 /nfs/dbraw/zinc/65/55/98/1163655598.db2.gz MMLGXSHDCBZQQC-MRVPVSSYSA-N -1 1 302.294 0.231 20 0 DCADMM Cc1nc(NCc2nnc([C@@H]3CCOC3)[nH]2)cc(C(=O)[O-])n1 ZINC001574193132 1163657809 /nfs/dbraw/zinc/65/78/09/1163657809.db2.gz PRLKXGBXQAMWKI-MRVPVSSYSA-N -1 1 304.310 0.717 20 0 DCADMM Cc1nc(NCc2n[nH]c([C@@H]3CCOC3)n2)cc(C(=O)[O-])n1 ZINC001574193132 1163657812 /nfs/dbraw/zinc/65/78/12/1163657812.db2.gz PRLKXGBXQAMWKI-MRVPVSSYSA-N -1 1 304.310 0.717 20 0 DCADMM NS(=O)(=O)c1cccc(CN2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)c1 ZINC001574279413 1163682303 /nfs/dbraw/zinc/68/23/03/1163682303.db2.gz BVRMLIIESXTVMP-FRRDWIJNSA-N -1 1 310.375 0.487 20 0 DCADMM O=C(Cc1n[nH]c(C2CC2)n1)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC001574302544 1163690650 /nfs/dbraw/zinc/69/06/50/1163690650.db2.gz KSPYZTGONPMWCH-BXKDBHETSA-N -1 1 308.338 0.221 20 0 DCADMM O=C([O-])[C@@H](NC(=O)c1ccc(Cc2nc[nH]n2)cc1)C1CC1 ZINC001574307898 1163692186 /nfs/dbraw/zinc/69/21/86/1163692186.db2.gz DCFHAUYEERJYIX-ZDUSSCGKSA-N -1 1 300.318 0.989 20 0 DCADMM O=C([O-])C1=CC[C@H](NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)C1 ZINC001574333707 1163698839 /nfs/dbraw/zinc/69/88/39/1163698839.db2.gz ICJNQSUXNWTAEV-UWVGGRQHSA-N -1 1 321.337 0.629 20 0 DCADMM O=C([O-])C[C@H](NC(=O)CCc1nn[nH]n1)c1ccc(F)cc1 ZINC001574358077 1163704215 /nfs/dbraw/zinc/70/42/15/1163704215.db2.gz UHKMTCFNQCVDBW-JTQLQIEISA-N -1 1 307.285 0.604 20 0 DCADMM O=C([O-])N1C[C@H](Nc2nc(Cl)nc3[nH]cnc32)[C@@H](CO)C1 ZINC001574377613 1163710870 /nfs/dbraw/zinc/71/08/70/1163710870.db2.gz VJKYGRJBQKKBFH-RITPCOANSA-N -1 1 312.717 0.389 20 0 DCADMM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)N[C@@H]3CCc4nc[nH]c4C3)C[C@@H]21 ZINC001574403908 1163715107 /nfs/dbraw/zinc/71/51/07/1163715107.db2.gz ZYCVOFRJERVLNZ-ORXSELOVSA-N -1 1 304.350 0.629 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@@H]1CCN(C(=O)c2cc(=O)[nH]cn2)C1 ZINC001574414855 1163718250 /nfs/dbraw/zinc/71/82/50/1163718250.db2.gz GLFCSWFJLFFGJF-SSDOTTSWSA-N -1 1 303.278 0.233 20 0 DCADMM O=C([O-])c1n[nH]nc1[C@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC001574422724 1163718820 /nfs/dbraw/zinc/71/88/20/1163718820.db2.gz ARVPZOQVSXPZQM-SECBINFHSA-N -1 1 304.310 0.522 20 0 DCADMM C[C@H](C[C@H](C)NC(=O)C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574540203 1163729576 /nfs/dbraw/zinc/72/95/76/1163729576.db2.gz FQUGNLULIHZZCU-BDAKNGLRSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@H](C[C@H](C)NC(=O)C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574540203 1163729579 /nfs/dbraw/zinc/72/95/79/1163729579.db2.gz FQUGNLULIHZZCU-BDAKNGLRSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@@H](CC(N)=O)NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001574573953 1163731718 /nfs/dbraw/zinc/73/17/18/1163731718.db2.gz OGDISPPXBMTITO-ZETCQYMHSA-N -1 1 313.321 0.342 20 0 DCADMM C[C@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574619248 1163736169 /nfs/dbraw/zinc/73/61/69/1163736169.db2.gz MSMSHRWUGFDMPD-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574619248 1163736173 /nfs/dbraw/zinc/73/61/73/1163736173.db2.gz MSMSHRWUGFDMPD-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1C[C@@H]1C ZINC001574665359 1163739215 /nfs/dbraw/zinc/73/92/15/1163739215.db2.gz QYHJTJBYJNVKPG-GUBZILKMSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1C[C@@H]1C ZINC001574665359 1163739216 /nfs/dbraw/zinc/73/92/16/1163739216.db2.gz QYHJTJBYJNVKPG-GUBZILKMSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C ZINC001574799252 1163754826 /nfs/dbraw/zinc/75/48/26/1163754826.db2.gz CCMIBUHQQGKFFX-VIFPVBQESA-N -1 1 318.385 0.644 20 0 DCADMM C[C@@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)CC1CC1 ZINC001574812466 1163757864 /nfs/dbraw/zinc/75/78/64/1163757864.db2.gz IEHBJYZGMOLBGE-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)CC1CC1 ZINC001574812466 1163757866 /nfs/dbraw/zinc/75/78/66/1163757866.db2.gz IEHBJYZGMOLBGE-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(C)CC1 ZINC001574809153 1163758313 /nfs/dbraw/zinc/75/83/13/1163758313.db2.gz LYWJOMPLYAFLDY-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(C)CC1 ZINC001574809153 1163758318 /nfs/dbraw/zinc/75/83/18/1163758318.db2.gz LYWJOMPLYAFLDY-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)[C@H](C)C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574833953 1163764673 /nfs/dbraw/zinc/76/46/73/1163764673.db2.gz AHBRJZQOUCVPRF-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@H](C)C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574833953 1163764679 /nfs/dbraw/zinc/76/46/79/1163764679.db2.gz AHBRJZQOUCVPRF-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574841960 1163768227 /nfs/dbraw/zinc/76/82/27/1163768227.db2.gz SGQMBHVWTZQNKG-IUCAKERBSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574841960 1163768235 /nfs/dbraw/zinc/76/82/35/1163768235.db2.gz SGQMBHVWTZQNKG-IUCAKERBSA-N -1 1 322.348 0.567 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574846076 1163769387 /nfs/dbraw/zinc/76/93/87/1163769387.db2.gz HLPHJEFFIQBFRC-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574846076 1163769394 /nfs/dbraw/zinc/76/93/94/1163769394.db2.gz HLPHJEFFIQBFRC-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC12CC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574860571 1163774652 /nfs/dbraw/zinc/77/46/52/1163774652.db2.gz ANDYSTNOTQQHCF-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC12CC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574860571 1163774657 /nfs/dbraw/zinc/77/46/57/1163774657.db2.gz ANDYSTNOTQQHCF-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574862142 1163777041 /nfs/dbraw/zinc/77/70/41/1163777041.db2.gz QNTURTHTUYZBNK-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574862142 1163777047 /nfs/dbraw/zinc/77/70/47/1163777047.db2.gz QNTURTHTUYZBNK-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC1(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574862502 1163777234 /nfs/dbraw/zinc/77/72/34/1163777234.db2.gz TXBFJCUNZRADJK-NKWVEPMBSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC1(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574862502 1163777237 /nfs/dbraw/zinc/77/72/37/1163777237.db2.gz TXBFJCUNZRADJK-NKWVEPMBSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](C(=O)NCCNC(=O)c1ncccc1[O-])c1ccnn1C ZINC001575057122 1163869632 /nfs/dbraw/zinc/86/96/32/1163869632.db2.gz AYQGBLAJQPXYSN-SNVBAGLBSA-N -1 1 317.349 0.170 20 0 DCADMM COc1ccc(C(=O)NCCNC(=O)c2ncccc2[O-])o1 ZINC001575059552 1163873714 /nfs/dbraw/zinc/87/37/14/1163873714.db2.gz UCMWQYUCXOABKZ-UHFFFAOYSA-N -1 1 305.290 0.549 20 0 DCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](O)c1cccc(F)c1 ZINC001575437286 1164013816 /nfs/dbraw/zinc/01/38/16/1164013816.db2.gz JUIARSMNFFFSTN-UFBFGSQYSA-N -1 1 315.312 0.752 20 0 DCADMM C[C@]1(NC(=O)C2CC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575803178 1164158576 /nfs/dbraw/zinc/15/85/76/1164158576.db2.gz PZSJXHSXCNKWEO-AWEZNQCLSA-N -1 1 314.353 0.152 20 0 DCADMM C[C@]1(NC(=O)C2CC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575803178 1164158579 /nfs/dbraw/zinc/15/85/79/1164158579.db2.gz PZSJXHSXCNKWEO-AWEZNQCLSA-N -1 1 314.353 0.152 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@@H](N)c1c(F)cccc1F)c1nn[n-]n1 ZINC001575971744 1164198363 /nfs/dbraw/zinc/19/83/63/1164198363.db2.gz GVRLUAYWUQLAQB-CPCISQLKSA-N -1 1 310.308 0.740 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576076608 1164231243 /nfs/dbraw/zinc/23/12/43/1164231243.db2.gz LTJAASOPOWOWQH-UWVGGRQHSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576076608 1164231247 /nfs/dbraw/zinc/23/12/47/1164231247.db2.gz LTJAASOPOWOWQH-UWVGGRQHSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576085484 1164235689 /nfs/dbraw/zinc/23/56/89/1164235689.db2.gz NZRRHRFLAMPCFH-ZYUZMQFOSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576085484 1164235694 /nfs/dbraw/zinc/23/56/94/1164235694.db2.gz NZRRHRFLAMPCFH-ZYUZMQFOSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576083446 1164236587 /nfs/dbraw/zinc/23/65/87/1164236587.db2.gz DEXLCROILVEIEC-AATLWQCWSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576083446 1164236594 /nfs/dbraw/zinc/23/65/94/1164236594.db2.gz DEXLCROILVEIEC-AATLWQCWSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001576084051 1164237046 /nfs/dbraw/zinc/23/70/46/1164237046.db2.gz HVWUEFIUWRURNO-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001576084051 1164237053 /nfs/dbraw/zinc/23/70/53/1164237053.db2.gz HVWUEFIUWRURNO-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H]1CN(c2ncncc2-c2nn[n-]n2)CCN1c1cnccn1 ZINC001576363615 1164317038 /nfs/dbraw/zinc/31/70/38/1164317038.db2.gz GXBYHBHEVDSUFO-JTQLQIEISA-N -1 1 324.352 0.162 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576400666 1164324792 /nfs/dbraw/zinc/32/47/92/1164324792.db2.gz JFNBUJVCNVYFQT-JXTMMUOFSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576400666 1164324800 /nfs/dbraw/zinc/32/48/00/1164324800.db2.gz JFNBUJVCNVYFQT-JXTMMUOFSA-N -1 1 314.353 0.682 20 0 DCADMM CCC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001576407162 1164329652 /nfs/dbraw/zinc/32/96/52/1164329652.db2.gz NQESTFMZEVLBJX-JTQLQIEISA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001576407162 1164329658 /nfs/dbraw/zinc/32/96/58/1164329658.db2.gz NQESTFMZEVLBJX-JTQLQIEISA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576414532 1164335251 /nfs/dbraw/zinc/33/52/51/1164335251.db2.gz CGBCLAIFVVFDDQ-JTQLQIEISA-N -1 1 316.369 0.139 20 0 DCADMM CCC(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576416861 1164336581 /nfs/dbraw/zinc/33/65/81/1164336581.db2.gz TYNCUDUOHHKBQY-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576416861 1164336587 /nfs/dbraw/zinc/33/65/87/1164336587.db2.gz TYNCUDUOHHKBQY-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576445062 1164347700 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UCLUVIYDMPIUGT-UHFFFAOYSA-N -1 1 317.284 0.704 20 0 DCADMM CN(Cc1ccn(C)n1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579261660 1165253500 /nfs/dbraw/zinc/25/35/00/1165253500.db2.gz YPYIRZKUCREUBI-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM CN(Cc1ccn(C)n1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579261660 1165253508 /nfs/dbraw/zinc/25/35/08/1165253508.db2.gz YPYIRZKUCREUBI-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM CN(c1ccc(F)cn1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579276150 1165259734 /nfs/dbraw/zinc/25/97/34/1165259734.db2.gz QUOPKVSTGXTXKO-UHFFFAOYSA-N -1 1 324.297 0.819 20 0 DCADMM CN1C(=O)c2ccccc2[C@@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001579311624 1165269333 /nfs/dbraw/zinc/26/93/33/1165269333.db2.gz LZEOUCMFEYTZTA-AWEZNQCLSA-N -1 1 321.344 0.922 20 0 DCADMM CN1C(=O)c2ccccc2[C@@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001579311624 1165269338 /nfs/dbraw/zinc/26/93/38/1165269338.db2.gz LZEOUCMFEYTZTA-AWEZNQCLSA-N -1 1 321.344 0.922 20 0 DCADMM CNC(=O)N1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001579398473 1165298296 /nfs/dbraw/zinc/29/82/96/1165298296.db2.gz SFWFKCBZLQEPIU-UHFFFAOYSA-N -1 1 321.366 0.025 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001579442225 1165309044 /nfs/dbraw/zinc/30/90/44/1165309044.db2.gz CHSPGEGCFFCUDA-HTQZYQBOSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579451116 1165314185 /nfs/dbraw/zinc/31/41/85/1165314185.db2.gz JZXWIGRGKXKROA-DTWKUNHWSA-N -1 1 319.321 0.921 20 0 DCADMM COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579451116 1165314187 /nfs/dbraw/zinc/31/41/87/1165314187.db2.gz JZXWIGRGKXKROA-DTWKUNHWSA-N -1 1 319.321 0.921 20 0 DCADMM COC(=O)NC(C)(C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001579453607 1165315443 /nfs/dbraw/zinc/31/54/43/1165315443.db2.gz WNDZWRWNFYGKMJ-UHFFFAOYSA-N -1 1 319.325 0.013 20 0 DCADMM COC(=O)NC(C)(C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001579453607 1165315447 /nfs/dbraw/zinc/31/54/47/1165315447.db2.gz WNDZWRWNFYGKMJ-UHFFFAOYSA-N -1 1 319.325 0.013 20 0 DCADMM COC(=O)c1ccc(NCc2nnc(C)[nH]2)c(-c2nn[n-]n2)n1 ZINC001579484307 1165328027 /nfs/dbraw/zinc/32/80/27/1165328027.db2.gz AHKOAWUZFRVPTG-UHFFFAOYSA-N -1 1 315.297 0.087 20 0 DCADMM COC(=O)c1ccc(NCc2cc(C)on2)c(-c2nnn[n-]2)n1 ZINC001579484969 1165328139 /nfs/dbraw/zinc/32/81/39/1165328139.db2.gz MKMQRARCHLFDNC-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1ccc(NCc2cc(C)on2)c(-c2nn[n-]n2)n1 ZINC001579484969 1165328148 /nfs/dbraw/zinc/32/81/48/1165328148.db2.gz MKMQRARCHLFDNC-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1ccc(Cl)c(Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001579482834 1165329534 /nfs/dbraw/zinc/32/95/34/1165329534.db2.gz PQJAGJWLJSCEHN-UHFFFAOYSA-N -1 1 319.712 0.947 20 0 DCADMM COCc1nnc2n1CCN(Cc1ccc(-c3nnn[n-]3)o1)C2 ZINC001579844170 1165407817 /nfs/dbraw/zinc/40/78/17/1165407817.db2.gz PBJLYDVEHPLPQW-UHFFFAOYSA-N -1 1 316.325 0.213 20 0 DCADMM COCc1nnc2n1CCN(Cc1ccc(-c3nn[n-]n3)o1)C2 ZINC001579844170 1165407823 /nfs/dbraw/zinc/40/78/23/1165407823.db2.gz PBJLYDVEHPLPQW-UHFFFAOYSA-N -1 1 316.325 0.213 20 0 DCADMM COc1cccc([C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001580063142 1165488966 /nfs/dbraw/zinc/48/89/66/1165488966.db2.gz CPRFAZIUMXQVOY-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM COc1cccc([C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001580063142 1165488971 /nfs/dbraw/zinc/48/89/71/1165488971.db2.gz CPRFAZIUMXQVOY-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM COc1cncc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)c1C ZINC001580113443 1165507949 /nfs/dbraw/zinc/50/79/49/1165507949.db2.gz PQAPGLDHAAWTKF-UHFFFAOYSA-N -1 1 314.309 0.863 20 0 DCADMM COc1ncc(NC(=O)c2ccc(=O)[nH]c2)cc1-c1nn[n-]n1 ZINC001580140037 1165516921 /nfs/dbraw/zinc/51/69/21/1165516921.db2.gz RXSVFXSDKZWNNZ-UHFFFAOYSA-N -1 1 313.277 0.623 20 0 DCADMM C[S@](=O)[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001580171900 1165525923 /nfs/dbraw/zinc/52/59/23/1165525923.db2.gz BEDUFLUDRWTLPJ-IMXIGIQMSA-N -1 1 320.378 0.291 20 0 DCADMM C[S@](=O)[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001580171900 1165525933 /nfs/dbraw/zinc/52/59/33/1165525933.db2.gz BEDUFLUDRWTLPJ-IMXIGIQMSA-N -1 1 320.378 0.291 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)CCO1 ZINC001580333242 1165574282 /nfs/dbraw/zinc/57/42/82/1165574282.db2.gz BMSFFFGVQQNPCS-NXEZZACHSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)CCO1 ZINC001580333242 1165574289 /nfs/dbraw/zinc/57/42/89/1165574289.db2.gz BMSFFFGVQQNPCS-NXEZZACHSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001580452223 1165604766 /nfs/dbraw/zinc/60/47/66/1165604766.db2.gz FDSFJEUPXGEEJS-GUBZILKMSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001580452223 1165604768 /nfs/dbraw/zinc/60/47/68/1165604768.db2.gz FDSFJEUPXGEEJS-GUBZILKMSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H]1[C@@H](O)CCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001580456053 1165606863 /nfs/dbraw/zinc/60/68/63/1165606863.db2.gz HDGQSRQBKDCWHG-CBAPKCEASA-N -1 1 323.382 0.378 20 0 DCADMM C[C@H]1[C@@H](O)CCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001580456053 1165606869 /nfs/dbraw/zinc/60/68/69/1165606869.db2.gz HDGQSRQBKDCWHG-CBAPKCEASA-N -1 1 323.382 0.378 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)Cc1cc[nH]n1 ZINC001580596191 1165649644 /nfs/dbraw/zinc/64/96/44/1165649644.db2.gz QLMPEJSDBSRUKH-UHFFFAOYSA-N -1 1 314.309 0.271 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001580597754 1165650493 /nfs/dbraw/zinc/65/04/93/1165650493.db2.gz LYCYUKGSYIGALM-OCAPTIKFSA-N -1 1 322.275 0.613 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC001580597814 1165650591 /nfs/dbraw/zinc/65/05/91/1165650591.db2.gz OAQTVMMHTDENOF-OIBJUYFYSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H]1CCCS1 ZINC001580601579 1165651638 /nfs/dbraw/zinc/65/16/38/1165651638.db2.gz BISGYPRUIMJLNC-QMMMGPOBSA-N -1 1 320.378 0.901 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@](C)(O)C1CC1 ZINC001580602164 1165652899 /nfs/dbraw/zinc/65/28/99/1165652899.db2.gz DWUGWXSMXMLMNO-CQSZACIVSA-N -1 1 318.337 0.167 20 0 DCADMM Cc1ncoc1CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001580606754 1165654543 /nfs/dbraw/zinc/65/45/43/1165654543.db2.gz MPJDGUWMJDNYMD-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CNC(=O)C2(C)CC2)n1 ZINC001580694784 1165689775 /nfs/dbraw/zinc/68/97/75/1165689775.db2.gz FBWQHQFGBBIBHP-VIFPVBQESA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CNC(=O)C2(C)CC2)n1 ZINC001580694784 1165689778 /nfs/dbraw/zinc/68/97/78/1165689778.db2.gz FBWQHQFGBBIBHP-VIFPVBQESA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H](C)NC(=O)C(C)C)n1 ZINC001580738349 1165707869 /nfs/dbraw/zinc/70/78/69/1165707869.db2.gz ARGPNNYJQIHFCT-VIFPVBQESA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H](C)NC(=O)C(C)C)n1 ZINC001580738349 1165707875 /nfs/dbraw/zinc/70/78/75/1165707875.db2.gz ARGPNNYJQIHFCT-VIFPVBQESA-N -1 1 318.385 0.928 20 0 DCADMM Cc1ccc(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001581170505 1165792651 /nfs/dbraw/zinc/79/26/51/1165792651.db2.gz JSOHQKRFRVNHDJ-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1ccc(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001581170505 1165792656 /nfs/dbraw/zinc/79/26/56/1165792656.db2.gz JSOHQKRFRVNHDJ-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1[nH]nc(Cl)c1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581401241 1165821923 /nfs/dbraw/zinc/82/19/23/1165821923.db2.gz FEAQVBMZHXBBPN-UHFFFAOYSA-N -1 1 318.728 0.877 20 0 DCADMM Cc1nonc1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001581651687 1165856357 /nfs/dbraw/zinc/85/63/57/1165856357.db2.gz WCFQVEKRRFSRAV-UHFFFAOYSA-N -1 1 321.247 0.766 20 0 DCADMM Cc1nonc1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001581651687 1165856360 /nfs/dbraw/zinc/85/63/60/1165856360.db2.gz WCFQVEKRRFSRAV-UHFFFAOYSA-N -1 1 321.247 0.766 20 0 DCADMM Cc1nonc1Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001581655762 1165856402 /nfs/dbraw/zinc/85/64/02/1165856402.db2.gz LCKIFSAVVLSGGG-UHFFFAOYSA-N -1 1 309.293 0.865 20 0 DCADMM Cc1nsc(N(C)CCNC(=O)C2(C)CC2)c1-c1nn[n-]n1 ZINC001581664375 1165856935 /nfs/dbraw/zinc/85/69/35/1165856935.db2.gz VLLHOYUMCFATOQ-UHFFFAOYSA-N -1 1 321.410 0.984 20 0 DCADMM Cc1nsc(N2CCN(C(=O)C(C)C)CC2)c1-c1nn[n-]n1 ZINC001581678637 1165858473 /nfs/dbraw/zinc/85/84/73/1165858473.db2.gz UCJAXOJCJQGWSK-UHFFFAOYSA-N -1 1 321.410 0.936 20 0 DCADMM Cc1nsc(NC(=O)c2cn(C)ccc2=O)c1-c1nnn[n-]1 ZINC001581686689 1165859414 /nfs/dbraw/zinc/85/94/14/1165859414.db2.gz KTNIWFRZCBSEMC-UHFFFAOYSA-N -1 1 317.334 0.583 20 0 DCADMM Cc1nsc(NC(=O)c2cn(C)ccc2=O)c1-c1nn[n-]n1 ZINC001581686689 1165859418 /nfs/dbraw/zinc/85/94/18/1165859418.db2.gz KTNIWFRZCBSEMC-UHFFFAOYSA-N -1 1 317.334 0.583 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)n1 ZINC001581754140 1165867209 /nfs/dbraw/zinc/86/72/09/1165867209.db2.gz IIDJGGXYCHRENO-SFYZADRCSA-N -1 1 324.295 0.719 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)n1 ZINC001581754140 1165867210 /nfs/dbraw/zinc/86/72/10/1165867210.db2.gz IIDJGGXYCHRENO-SFYZADRCSA-N -1 1 324.295 0.719 20 0 DCADMM Cn1c(Cl)ncc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581752299 1165869105 /nfs/dbraw/zinc/86/91/05/1165869105.db2.gz XBMHWRBODVKOEO-UHFFFAOYSA-N -1 1 324.757 0.640 20 0 DCADMM Cn1c(Cl)ncc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581752299 1165869111 /nfs/dbraw/zinc/86/91/11/1165869111.db2.gz XBMHWRBODVKOEO-UHFFFAOYSA-N -1 1 324.757 0.640 20 0 DCADMM Cn1cnc(C=CC(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001581808266 1165880079 /nfs/dbraw/zinc/88/00/79/1165880079.db2.gz UIXYCXQIUMHCAU-DJWKRKHSSA-N -1 1 315.362 0.991 20 0 DCADMM Cn1nc(Br)cc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001581821234 1165883988 /nfs/dbraw/zinc/88/39/88/1165883988.db2.gz HHTKQNZASWGDGZ-UHFFFAOYSA-N -1 1 324.146 0.698 20 0 DCADMM Cn1nc(Br)cc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001581821234 1165883989 /nfs/dbraw/zinc/88/39/89/1165883989.db2.gz HHTKQNZASWGDGZ-UHFFFAOYSA-N -1 1 324.146 0.698 20 0 DCADMM F[C@H]1COc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001581851151 1165888214 /nfs/dbraw/zinc/88/82/14/1165888214.db2.gz LRHZXLHWGSLLFW-JOYOIKCWSA-N -1 1 313.296 0.962 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCOc1ccccc1F ZINC001581908800 1165910513 /nfs/dbraw/zinc/91/05/13/1165910513.db2.gz CDOYNLPYACFGEE-UHFFFAOYSA-N -1 1 317.284 0.894 20 0 DCADMM Nc1nnc(C2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)o1 ZINC001581911544 1165911496 /nfs/dbraw/zinc/91/14/96/1165911496.db2.gz YCWJSHCDCGXLQF-UHFFFAOYSA-N -1 1 313.325 0.611 20 0 DCADMM Nc1nnc(C2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)o1 ZINC001581911544 1165911503 /nfs/dbraw/zinc/91/15/03/1165911503.db2.gz YCWJSHCDCGXLQF-UHFFFAOYSA-N -1 1 313.325 0.611 20 0 DCADMM O=C(CNCC(F)(F)F)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582110214 1165959823 /nfs/dbraw/zinc/95/98/23/1165959823.db2.gz AGESIAIBPXPZEJ-UHFFFAOYSA-N -1 1 320.300 0.696 20 0 DCADMM O=C(CNc1cncc(-c2nnn[n-]2)n1)N1CCc2ccccc21 ZINC001582114710 1165960240 /nfs/dbraw/zinc/96/02/40/1165960240.db2.gz CVDYWCJUWYSMHY-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM O=C(CNc1cncc(-c2nn[n-]n2)n1)N1CCc2ccccc21 ZINC001582114710 1165960253 /nfs/dbraw/zinc/96/02/53/1165960253.db2.gz CVDYWCJUWYSMHY-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM O=C(COCC(F)(F)F)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582120524 1165960845 /nfs/dbraw/zinc/96/08/45/1165960845.db2.gz MREZCQVIUAEPJP-UHFFFAOYSA-N -1 1 316.243 0.457 20 0 DCADMM O=C(COCC(F)(F)F)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582120524 1165960848 /nfs/dbraw/zinc/96/08/48/1165960848.db2.gz MREZCQVIUAEPJP-UHFFFAOYSA-N -1 1 316.243 0.457 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1nc2ccccn2n1 ZINC001582139621 1165968463 /nfs/dbraw/zinc/96/84/63/1165968463.db2.gz YKUTYGVMBMOILE-UHFFFAOYSA-N -1 1 321.304 0.486 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1nc2ccccn2n1 ZINC001582139621 1165968469 /nfs/dbraw/zinc/96/84/69/1165968469.db2.gz YKUTYGVMBMOILE-UHFFFAOYSA-N -1 1 321.304 0.486 20 0 DCADMM O=C(N[C@H](CO)c1ccccn1)c1csc(-c2nn[n-]n2)c1 ZINC001582232625 1165987742 /nfs/dbraw/zinc/98/77/42/1165987742.db2.gz OVMSXCXKMGBTQZ-SNVBAGLBSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC1(c2ccccc2)COC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582244982 1165991369 /nfs/dbraw/zinc/99/13/69/1165991369.db2.gz PBDOKWNCQGQGIK-UHFFFAOYSA-N -1 1 322.328 0.917 20 0 DCADMM O=C(NC1(c2ccccc2)COC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582244982 1165991375 /nfs/dbraw/zinc/99/13/75/1165991375.db2.gz PBDOKWNCQGQGIK-UHFFFAOYSA-N -1 1 322.328 0.917 20 0 DCADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001582301133 1165998809 /nfs/dbraw/zinc/99/88/09/1165998809.db2.gz LLIANRZTMGJNOQ-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001582301133 1165998814 /nfs/dbraw/zinc/99/88/14/1165998814.db2.gz LLIANRZTMGJNOQ-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)C1CC1 ZINC001582512557 1166028761 /nfs/dbraw/zinc/02/87/61/1166028761.db2.gz DILOCYSOEDPQQZ-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)C1CC1 ZINC001582512557 1166028765 /nfs/dbraw/zinc/02/87/65/1166028765.db2.gz DILOCYSOEDPQQZ-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCc1cc(=O)cc[nH]1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582544883 1166038037 /nfs/dbraw/zinc/03/80/37/1166038037.db2.gz QFCYCXKUIRVZRX-UHFFFAOYSA-N -1 1 314.280 0.624 20 0 DCADMM O=C(NCc1cc(=O)cc[nH]1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582544883 1166038045 /nfs/dbraw/zinc/03/80/45/1166038045.db2.gz QFCYCXKUIRVZRX-UHFFFAOYSA-N -1 1 314.280 0.624 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H](O)C1CCC1 ZINC001582549457 1166040503 /nfs/dbraw/zinc/04/05/03/1166040503.db2.gz AQZJETBZVAPJAV-JTQLQIEISA-N -1 1 322.394 0.888 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NCc1cccnc1 ZINC001582554094 1166041289 /nfs/dbraw/zinc/04/12/89/1166041289.db2.gz ADZUXIXMZGGFCR-UHFFFAOYSA-N -1 1 316.350 0.718 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NCc1cccnc1 ZINC001582554094 1166041296 /nfs/dbraw/zinc/04/12/96/1166041296.db2.gz ADZUXIXMZGGFCR-UHFFFAOYSA-N -1 1 316.350 0.718 20 0 DCADMM O=C(NCc1ccon1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001582557501 1166044393 /nfs/dbraw/zinc/04/43/93/1166044393.db2.gz ZGKXPMJDFCLDJB-UHFFFAOYSA-N -1 1 305.685 0.833 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H]1CCC[C@@H]1CO ZINC001582559023 1166044514 /nfs/dbraw/zinc/04/45/14/1166044514.db2.gz LPICQZXWFXAUJB-HTQZYQBOSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H]1CCC[C@@H]1CO ZINC001582559023 1166044522 /nfs/dbraw/zinc/04/45/22/1166044522.db2.gz LPICQZXWFXAUJB-HTQZYQBOSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1noc2c1COCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001582559106 1166045387 /nfs/dbraw/zinc/04/53/87/1166045387.db2.gz ARGKKCLOQIHXSY-UHFFFAOYSA-N -1 1 316.277 0.450 20 0 DCADMM O=C(NCc1noc2c1COCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001582559106 1166045398 /nfs/dbraw/zinc/04/53/98/1166045398.db2.gz ARGKKCLOQIHXSY-UHFFFAOYSA-N -1 1 316.277 0.450 20 0 DCADMM O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582583757 1166049371 /nfs/dbraw/zinc/04/93/71/1166049371.db2.gz KAAPHITYCAQXSA-WCQYABFASA-N -1 1 314.349 0.807 20 0 DCADMM O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582583757 1166049377 /nfs/dbraw/zinc/04/93/77/1166049377.db2.gz KAAPHITYCAQXSA-WCQYABFASA-N -1 1 314.349 0.807 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@]12C[C@H]1COC21CCC1 ZINC001582630832 1166054829 /nfs/dbraw/zinc/05/48/29/1166054829.db2.gz TVSGWNOCJSDLMQ-CPFSXVBKSA-N -1 1 301.310 0.488 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@]12C[C@H]1COC21CCC1 ZINC001582630832 1166054833 /nfs/dbraw/zinc/05/48/33/1166054833.db2.gz TVSGWNOCJSDLMQ-CPFSXVBKSA-N -1 1 301.310 0.488 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001582644618 1166059326 /nfs/dbraw/zinc/05/93/26/1166059326.db2.gz BTYXSWKSBIEBIV-ISLXKQHJSA-N -1 1 313.321 0.559 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001582644618 1166059334 /nfs/dbraw/zinc/05/93/34/1166059334.db2.gz BTYXSWKSBIEBIV-ISLXKQHJSA-N -1 1 313.321 0.559 20 0 DCADMM O=C(Nc1ncc2c(n1)CCOC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001582653431 1166061283 /nfs/dbraw/zinc/06/12/83/1166061283.db2.gz KLBZQZBMKLGCEN-UHFFFAOYSA-N -1 1 324.304 0.377 20 0 DCADMM O=C(Nc1ncc2c(n1)CCOC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001582653431 1166061289 /nfs/dbraw/zinc/06/12/89/1166061289.db2.gz KLBZQZBMKLGCEN-UHFFFAOYSA-N -1 1 324.304 0.377 20 0 DCADMM O=C1C[C@H](Oc2cccc(Nc3ccnc(-c4nn[n-]n4)n3)c2)N1 ZINC001582760425 1166077861 /nfs/dbraw/zinc/07/78/61/1166077861.db2.gz OCSHEGMJKDIYCD-LBPRGKRZSA-N -1 1 324.304 0.047 20 0 DCADMM O=S(=O)(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC001582793695 1166082333 /nfs/dbraw/zinc/08/23/33/1166082333.db2.gz BYIYKSHBJUGXGE-MIMYLULJSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC001582793695 1166082338 /nfs/dbraw/zinc/08/23/38/1166082338.db2.gz BYIYKSHBJUGXGE-MIMYLULJSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(NCCC(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001582795346 1166084980 /nfs/dbraw/zinc/08/49/80/1166084980.db2.gz CKXDUQCTGYJXHE-UHFFFAOYSA-N -1 1 321.284 0.939 20 0 DCADMM O=S(=O)(NCCC(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001582795346 1166084986 /nfs/dbraw/zinc/08/49/86/1166084986.db2.gz CKXDUQCTGYJXHE-UHFFFAOYSA-N -1 1 321.284 0.939 20 0 DCADMM OC[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)c1ccc(F)cc1 ZINC001582810179 1166091345 /nfs/dbraw/zinc/09/13/45/1166091345.db2.gz DACLWXWCIVKPNG-SNVBAGLBSA-N -1 1 315.312 0.984 20 0 DCADMM OC[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)c1ccc(F)cc1 ZINC001582810179 1166091351 /nfs/dbraw/zinc/09/13/51/1166091351.db2.gz DACLWXWCIVKPNG-SNVBAGLBSA-N -1 1 315.312 0.984 20 0 DCADMM Cc1cc(=O)c(C(=O)N(C)c2nn[n-]n2)nn1-c1ccccc1 ZINC001586262408 1166490227 /nfs/dbraw/zinc/49/02/27/1166490227.db2.gz QHWIKCVCTXNWIG-UHFFFAOYSA-N -1 1 311.305 0.331 20 0 DCADMM CC(=O)C[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001588786934 1166590758 /nfs/dbraw/zinc/59/07/58/1166590758.db2.gz QSRWBWJPSZIKSM-SECBINFHSA-N -1 1 305.294 0.280 20 0 DCADMM CC(=O)C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001588786934 1166590767 /nfs/dbraw/zinc/59/07/67/1166590767.db2.gz QSRWBWJPSZIKSM-SECBINFHSA-N -1 1 305.294 0.280 20 0 DCADMM CC(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001588806974 1166593153 /nfs/dbraw/zinc/59/31/53/1166593153.db2.gz QRSGRWKXHHLONG-CPCISQLKSA-N -1 1 302.342 0.244 20 0 DCADMM CC(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588806974 1166593158 /nfs/dbraw/zinc/59/31/58/1166593158.db2.gz QRSGRWKXHHLONG-CPCISQLKSA-N -1 1 302.342 0.244 20 0 DCADMM CC(=O)N1CCCC[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001588818402 1166596998 /nfs/dbraw/zinc/59/69/98/1166596998.db2.gz HRQFRDLMGAQUJC-LLVKDONJSA-N -1 1 319.321 0.904 20 0 DCADMM CC(=O)N1CCCC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001588818402 1166597007 /nfs/dbraw/zinc/59/70/07/1166597007.db2.gz HRQFRDLMGAQUJC-LLVKDONJSA-N -1 1 319.321 0.904 20 0 DCADMM CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588818814 1166597607 /nfs/dbraw/zinc/59/76/07/1166597607.db2.gz QBQRNLZJAAWYGP-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588818814 1166597611 /nfs/dbraw/zinc/59/76/11/1166597611.db2.gz QBQRNLZJAAWYGP-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CC[C@@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001588824605 1166599338 /nfs/dbraw/zinc/59/93/38/1166599338.db2.gz UDXQWCZIDRKNRP-SNVBAGLBSA-N -1 1 316.325 0.004 20 0 DCADMM CC(=O)N1CC[C@@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001588824605 1166599347 /nfs/dbraw/zinc/59/93/47/1166599347.db2.gz UDXQWCZIDRKNRP-SNVBAGLBSA-N -1 1 316.325 0.004 20 0 DCADMM CC(=O)N[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C1CCCC1 ZINC001588828783 1166599556 /nfs/dbraw/zinc/59/95/56/1166599556.db2.gz RXWWFPRQIAAHGA-SNVBAGLBSA-N -1 1 318.341 0.223 20 0 DCADMM CC(=O)N[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C1CCCC1 ZINC001588828783 1166599558 /nfs/dbraw/zinc/59/95/58/1166599558.db2.gz RXWWFPRQIAAHGA-SNVBAGLBSA-N -1 1 318.341 0.223 20 0 DCADMM CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C(C)(C)C1 ZINC001588822977 1166599800 /nfs/dbraw/zinc/59/98/00/1166599800.db2.gz IHWQMHJMIBHFOP-UHFFFAOYSA-N -1 1 318.337 0.543 20 0 DCADMM CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C(C)(C)C1 ZINC001588822977 1166599807 /nfs/dbraw/zinc/59/98/07/1166599807.db2.gz IHWQMHJMIBHFOP-UHFFFAOYSA-N -1 1 318.337 0.543 20 0 DCADMM CC(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588839300 1166602367 /nfs/dbraw/zinc/60/23/67/1166602367.db2.gz BWTFICPLDYPVGT-NXEZZACHSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588839300 1166602375 /nfs/dbraw/zinc/60/23/75/1166602375.db2.gz BWTFICPLDYPVGT-NXEZZACHSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)[C@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588889543 1166613550 /nfs/dbraw/zinc/61/35/50/1166613550.db2.gz SHQKFYKCCOKPJU-GFCCVEGCSA-N -1 1 300.322 0.845 20 0 DCADMM CC(=O)[C@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588889543 1166613552 /nfs/dbraw/zinc/61/35/52/1166613552.db2.gz SHQKFYKCCOKPJU-GFCCVEGCSA-N -1 1 300.322 0.845 20 0 DCADMM C[C@@H](C(=O)N(C)CCOC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588941995 1166621259 /nfs/dbraw/zinc/62/12/59/1166621259.db2.gz SPALTBCXXQCPGQ-VIFPVBQESA-N -1 1 322.373 0.293 20 0 DCADMM C[C@@H](C(=O)NC[C@@H]1CCCC1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588983513 1166623935 /nfs/dbraw/zinc/62/39/35/1166623935.db2.gz KZOKGJIUCZTYTA-UWVGGRQHSA-N -1 1 318.385 0.962 20 0 DCADMM C[C@H](C(=O)Nc1cc(Cl)ccn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589011898 1166627710 /nfs/dbraw/zinc/62/77/10/1166627710.db2.gz QTNXMZNXUCJQNJ-ZCFIWIBFSA-N -1 1 319.716 0.706 20 0 DCADMM C[C@@H](C(=O)Nc1nc2ccccc2[nH]1)n1cnc(-c2nn[n-]n2)n1 ZINC001589025041 1166628762 /nfs/dbraw/zinc/62/87/62/1166628762.db2.gz IVDLKZNAHYLWMS-ZETCQYMHSA-N -1 1 324.308 0.534 20 0 DCADMM C[C@@H](C(=O)OC(C)(C)C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589026352 1166630458 /nfs/dbraw/zinc/63/04/58/1166630458.db2.gz JAXBHNWHNJQNPO-ZCFIWIBFSA-N -1 1 307.314 0.263 20 0 DCADMM CC(C)(C(=O)NCCn1cnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001589050287 1166634099 /nfs/dbraw/zinc/63/40/99/1166634099.db2.gz ROOYJVIDHBDPHE-UHFFFAOYSA-N -1 1 318.385 0.791 20 0 DCADMM CC(C)(C)[C@@H]1NC(=O)N(Cc2ccc(-c3nnn[n-]3)o2)C1=O ZINC001589106631 1166634871 /nfs/dbraw/zinc/63/48/71/1166634871.db2.gz JJXZYMNEMXQZMV-SECBINFHSA-N -1 1 304.310 0.926 20 0 DCADMM CC(C)(C)[C@@H]1NC(=O)N(Cc2ccc(-c3nn[n-]n3)o2)C1=O ZINC001589106631 1166634872 /nfs/dbraw/zinc/63/48/72/1166634872.db2.gz JJXZYMNEMXQZMV-SECBINFHSA-N -1 1 304.310 0.926 20 0 DCADMM CC(C)(C)CC(C)(C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001589118173 1166635640 /nfs/dbraw/zinc/63/56/40/1166635640.db2.gz DPXMJCWCRSBNHV-UHFFFAOYSA-N -1 1 306.374 0.789 20 0 DCADMM CC(C)(C)[C@H](O)C[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589095152 1166635852 /nfs/dbraw/zinc/63/58/52/1166635852.db2.gz HHRQXZWRGIFOAS-WCBMZHEXSA-N -1 1 307.358 0.227 20 0 DCADMM CC(C)(C)[C@H](O)C[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589095152 1166635854 /nfs/dbraw/zinc/63/58/54/1166635854.db2.gz HHRQXZWRGIFOAS-WCBMZHEXSA-N -1 1 307.358 0.227 20 0 DCADMM CC(C)(C)S(=O)(=O)CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589208109 1166640108 /nfs/dbraw/zinc/64/01/08/1166640108.db2.gz RRYXZDRNTVUXQU-UHFFFAOYSA-N -1 1 324.366 0.414 20 0 DCADMM CC(C)(C)S(=O)(=O)CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589208109 1166640112 /nfs/dbraw/zinc/64/01/12/1166640112.db2.gz RRYXZDRNTVUXQU-UHFFFAOYSA-N -1 1 324.366 0.414 20 0 DCADMM CC(C)(NC(=O)c1coc(-c2nnn[n-]2)c1)[C@@H](O)C(F)(F)F ZINC001589321984 1166647357 /nfs/dbraw/zinc/64/73/57/1166647357.db2.gz KZYZDDOSPUWPFI-SECBINFHSA-N -1 1 319.243 0.891 20 0 DCADMM CC(C)(NC(=O)c1coc(-c2nn[n-]n2)c1)[C@@H](O)C(F)(F)F ZINC001589321984 1166647367 /nfs/dbraw/zinc/64/73/67/1166647367.db2.gz KZYZDDOSPUWPFI-SECBINFHSA-N -1 1 319.243 0.891 20 0 DCADMM CC(C)(O)C(C)(C)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589326387 1166647389 /nfs/dbraw/zinc/64/73/89/1166647389.db2.gz DZIGAFCXDUENQM-UHFFFAOYSA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(O)C(C)(C)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589326387 1166647396 /nfs/dbraw/zinc/64/73/96/1166647396.db2.gz DZIGAFCXDUENQM-UHFFFAOYSA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)[C@H](CO)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589460951 1166658733 /nfs/dbraw/zinc/65/87/33/1166658733.db2.gz SZAUVZOPPRVODA-VIFPVBQESA-N -1 1 305.342 0.648 20 0 DCADMM CC(C)[C@H](CO)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589460951 1166658737 /nfs/dbraw/zinc/65/87/37/1166658737.db2.gz SZAUVZOPPRVODA-VIFPVBQESA-N -1 1 305.342 0.648 20 0 DCADMM CC(C)[C@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589494240 1166663422 /nfs/dbraw/zinc/66/34/22/1166663422.db2.gz JHGFGONTRJIPRB-CQSZACIVSA-N -1 1 303.370 0.892 20 0 DCADMM CC(C)CCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001589597978 1166666677 /nfs/dbraw/zinc/66/66/77/1166666677.db2.gz 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DCADMM C[C@H]1CCNC(=O)[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590278624 1166840103 /nfs/dbraw/zinc/84/01/03/1166840103.db2.gz UBANCNVQFGIYSP-IMTBSYHQSA-N -1 1 307.745 0.852 20 0 DCADMM C[C@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCC1(F)F ZINC001590310434 1166857656 /nfs/dbraw/zinc/85/76/56/1166857656.db2.gz RKYNCWZODYTDTL-VIFPVBQESA-N -1 1 310.308 0.963 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@]2(CCCOC2)O1 ZINC001590317513 1166863793 /nfs/dbraw/zinc/86/37/93/1166863793.db2.gz BVWJMFALJOXSGJ-HZMBPMFUSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@]2(CCCOC2)O1 ZINC001590317513 1166863796 /nfs/dbraw/zinc/86/37/96/1166863796.db2.gz BVWJMFALJOXSGJ-HZMBPMFUSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1OCC[C@]12CN(C(=O)c1ccc(-c3nnn[n-]3)o1)CCO2 ZINC001590333711 1166870290 /nfs/dbraw/zinc/87/02/90/1166870290.db2.gz JKGLGACGAKIYQE-XPTSAGLGSA-N -1 1 319.321 0.480 20 0 DCADMM C[C@@H]1OCC[C@]12CN(C(=O)c1ccc(-c3nn[n-]n3)o1)CCO2 ZINC001590333711 1166870293 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303.369 0.243 20 0 DCADMM CCO[N-]C(=O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001590818710 1167030541 /nfs/dbraw/zinc/03/05/41/1167030541.db2.gz IGVDIOLBEFWJFD-UHFFFAOYSA-N -1 1 303.735 0.456 20 0 DCADMM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H]1SC ZINC001590821501 1167033566 /nfs/dbraw/zinc/03/35/66/1167033566.db2.gz SKQMRODECGBWFR-KKZNHRDASA-N -1 1 307.383 0.978 20 0 DCADMM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H]1SC ZINC001590821501 1167033575 /nfs/dbraw/zinc/03/35/75/1167033575.db2.gz SKQMRODECGBWFR-KKZNHRDASA-N -1 1 307.383 0.978 20 0 DCADMM CCOc1ccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cn1 ZINC001590835260 1167035728 /nfs/dbraw/zinc/03/57/28/1167035728.db2.gz WTVUQPNLSUYGDX-UHFFFAOYSA-N -1 1 314.309 0.944 20 0 DCADMM CCc1[nH]nc(Cl)c1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590903341 1167042383 /nfs/dbraw/zinc/04/23/83/1167042383.db2.gz PFZOHQOVUIZDQQ-UHFFFAOYSA-N -1 1 307.705 0.273 20 0 DCADMM CCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)nn1C ZINC001590883945 1167043156 /nfs/dbraw/zinc/04/31/56/1167043156.db2.gz WCXYUSMUZIUUSH-UHFFFAOYSA-N -1 1 323.338 0.556 20 0 DCADMM CCc1ccsc1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590903595 1167043358 /nfs/dbraw/zinc/04/33/58/1167043358.db2.gz XRERCMMUTMGJQU-UHFFFAOYSA-N -1 1 318.366 0.512 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(C3(O)CC3)CC2)n1 ZINC001590906142 1167047270 /nfs/dbraw/zinc/04/72/70/1167047270.db2.gz ZPZFVLIHIVWDLL-UHFFFAOYSA-N -1 1 315.381 0.960 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(C3(O)CC3)CC2)n1 ZINC001590906142 1167047278 /nfs/dbraw/zinc/04/72/78/1167047278.db2.gz ZPZFVLIHIVWDLL-UHFFFAOYSA-N -1 1 315.381 0.960 20 0 DCADMM CCc1nc(NCCC(=O)NC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001590920094 1167051578 /nfs/dbraw/zinc/05/15/78/1167051578.db2.gz QYQQQSIZXXJTJC-UHFFFAOYSA-N -1 1 318.385 0.936 20 0 DCADMM CCc1nc(NCCC(=O)NC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001590920094 1167051581 /nfs/dbraw/zinc/05/15/81/1167051581.db2.gz QYQQQSIZXXJTJC-UHFFFAOYSA-N -1 1 318.385 0.936 20 0 DCADMM CCc1nc(NCCNC(=O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001590920496 1167051605 /nfs/dbraw/zinc/05/16/05/1167051605.db2.gz KQXSPZQQXODCBE-UHFFFAOYSA-N -1 1 304.358 0.403 20 0 DCADMM CCc1nc(NCCNC(=O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001590920496 1167051608 /nfs/dbraw/zinc/05/16/08/1167051608.db2.gz KQXSPZQQXODCBE-UHFFFAOYSA-N -1 1 304.358 0.403 20 0 DCADMM CCc1nncn1CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590933948 1167053037 /nfs/dbraw/zinc/05/30/37/1167053037.db2.gz JYHKQOFSBNYYGJ-UHFFFAOYSA-N -1 1 302.298 0.044 20 0 DCADMM CCc1nncn1CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590933948 1167053041 /nfs/dbraw/zinc/05/30/41/1167053041.db2.gz JYHKQOFSBNYYGJ-UHFFFAOYSA-N -1 1 302.298 0.044 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCOC2CCCC2)c1=O ZINC001590949584 1167055726 /nfs/dbraw/zinc/05/57/26/1167055726.db2.gz IKHANOYNUFZJRQ-UHFFFAOYSA-N -1 1 320.353 0.169 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CC(C)(C)CO2)c1=O ZINC001590950112 1167056714 /nfs/dbraw/zinc/05/67/14/1167056714.db2.gz RDJHVZWSGLDTOU-SECBINFHSA-N -1 1 320.353 0.025 20 0 DCADMM CCn1cc(CCOC(=O)c2cccc(-c3nnn[n-]3)n2)cn1 ZINC001590953002 1167057139 /nfs/dbraw/zinc/05/71/39/1167057139.db2.gz KPQFFXPJIOKYEQ-UHFFFAOYSA-N -1 1 313.321 0.878 20 0 DCADMM CCn1cc(CCOC(=O)c2cccc(-c3nn[n-]n3)n2)cn1 ZINC001590953002 1167057144 /nfs/dbraw/zinc/05/71/44/1167057144.db2.gz KPQFFXPJIOKYEQ-UHFFFAOYSA-N -1 1 313.321 0.878 20 0 DCADMM CCn1nccc1CN(CCO)c1cccc(-c2nnn[n-]2)n1 ZINC001590969456 1167060781 /nfs/dbraw/zinc/06/07/81/1167060781.db2.gz NSDUZPOPZVNVQV-UHFFFAOYSA-N -1 1 314.353 0.477 20 0 DCADMM CCn1nccc1CN(CCO)c1cccc(-c2nn[n-]n2)n1 ZINC001590969456 1167060789 /nfs/dbraw/zinc/06/07/89/1167060789.db2.gz NSDUZPOPZVNVQV-UHFFFAOYSA-N -1 1 314.353 0.477 20 0 DCADMM CCn1nc(C)c(C(=O)OCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001590965212 1167061995 /nfs/dbraw/zinc/06/19/95/1167061995.db2.gz YMQYCQRQAIMGHX-UHFFFAOYSA-N -1 1 303.282 0.737 20 0 DCADMM CCn1nc(C)c(C(=O)OCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001590965212 1167062000 /nfs/dbraw/zinc/06/20/00/1167062000.db2.gz YMQYCQRQAIMGHX-UHFFFAOYSA-N -1 1 303.282 0.737 20 0 DCADMM CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)C1(C(N)=O)CCCC1 ZINC001590995525 1167069058 /nfs/dbraw/zinc/06/90/58/1167069058.db2.gz HLPNLBZTPFHLEO-UHFFFAOYSA-N -1 1 315.337 0.132 20 0 DCADMM CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)C1(C(N)=O)CCCC1 ZINC001590995525 1167069063 /nfs/dbraw/zinc/06/90/63/1167069063.db2.gz HLPNLBZTPFHLEO-UHFFFAOYSA-N -1 1 315.337 0.132 20 0 DCADMM CN(C)C(=O)N(C)[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591003744 1167072871 /nfs/dbraw/zinc/07/28/71/1167072871.db2.gz WDKLLVPGDCIOOP-JTQLQIEISA-N -1 1 316.369 0.454 20 0 DCADMM CN(C)C(=O)N(C)[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591003744 1167072874 /nfs/dbraw/zinc/07/28/74/1167072874.db2.gz WDKLLVPGDCIOOP-JTQLQIEISA-N -1 1 316.369 0.454 20 0 DCADMM CN(C)S(=O)(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591023831 1167083486 /nfs/dbraw/zinc/08/34/86/1167083486.db2.gz YXFGPXBFNPICTG-UHFFFAOYSA-N -1 1 318.309 0.041 20 0 DCADMM CN(C)S(=O)(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591023831 1167083496 /nfs/dbraw/zinc/08/34/96/1167083496.db2.gz YXFGPXBFNPICTG-UHFFFAOYSA-N -1 1 318.309 0.041 20 0 DCADMM CN(C)c1cccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001591035177 1167088948 /nfs/dbraw/zinc/08/89/48/1167088948.db2.gz XTIZTQSZEOPFHE-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CN(C)c1cccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001591035177 1167088953 /nfs/dbraw/zinc/08/89/53/1167088953.db2.gz XTIZTQSZEOPFHE-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CN(CC(=O)NC1CC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591037662 1167089258 /nfs/dbraw/zinc/08/92/58/1167089258.db2.gz KIWFHGSZAULTSB-UHFFFAOYSA-N -1 1 307.745 0.630 20 0 DCADMM CN(CC(=O)NC1CC1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591037662 1167089264 /nfs/dbraw/zinc/08/92/64/1167089264.db2.gz KIWFHGSZAULTSB-UHFFFAOYSA-N -1 1 307.745 0.630 20 0 DCADMM CN(C[C@@H]1CCC[C@H]1O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591054240 1167094069 /nfs/dbraw/zinc/09/40/69/1167094069.db2.gz BMVZWQLPVPUTPW-GXSJLCMTSA-N -1 1 317.353 0.886 20 0 DCADMM CN(C[C@@H]1CCC[C@H]1O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591054240 1167094075 /nfs/dbraw/zinc/09/40/75/1167094075.db2.gz BMVZWQLPVPUTPW-GXSJLCMTSA-N -1 1 317.353 0.886 20 0 DCADMM CN(C[C@@]1(O)CCc2ccccc21)c1cnc(-c2nnn[n-]2)cn1 ZINC001591049741 1167095302 /nfs/dbraw/zinc/09/53/02/1167095302.db2.gz CTTYLHORBIOSPT-INIZCTEOSA-N -1 1 323.360 0.927 20 0 DCADMM CN(C[C@@]1(O)CCc2ccccc21)c1cnc(-c2nn[n-]n2)cn1 ZINC001591049741 1167095305 /nfs/dbraw/zinc/09/53/05/1167095305.db2.gz CTTYLHORBIOSPT-INIZCTEOSA-N -1 1 323.360 0.927 20 0 DCADMM CN(CCCNC(=O)CCCF)c1ccnc(-c2nn[n-]n2)n1 ZINC001591077308 1167101295 /nfs/dbraw/zinc/10/12/95/1167101295.db2.gz VMGHXYBUEFAUPC-UHFFFAOYSA-N -1 1 322.348 0.349 20 0 DCADMM CN(CCNC(=O)CC1CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591097254 1167104269 /nfs/dbraw/zinc/10/42/69/1167104269.db2.gz FAKUWCMKTSYKDK-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CN(CCNC(=O)CC1CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591097254 1167104272 /nfs/dbraw/zinc/10/42/72/1167104272.db2.gz FAKUWCMKTSYKDK-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CN(Cc1nc(-c2nnn[n-]2)cs1)[C@H]1CCCCNC1=O ZINC001591151707 1167117577 /nfs/dbraw/zinc/11/75/77/1167117577.db2.gz CAKZDIXBHVVNBP-VIFPVBQESA-N -1 1 307.383 0.424 20 0 DCADMM CN(Cc1nc(-c2nn[n-]n2)cs1)[C@H]1CCCCNC1=O ZINC001591151707 1167117586 /nfs/dbraw/zinc/11/75/86/1167117586.db2.gz CAKZDIXBHVVNBP-VIFPVBQESA-N -1 1 307.383 0.424 20 0 DCADMM CN1C(=O)CCC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001591164235 1167121884 /nfs/dbraw/zinc/12/18/84/1167121884.db2.gz KXSBMGKHDHEPRZ-SECBINFHSA-N -1 1 321.362 0.982 20 0 DCADMM CN1C[C@@H](OC(=O)c2cccc(F)c2-c2nnn[n-]2)CCC1=O ZINC001591172852 1167127775 /nfs/dbraw/zinc/12/77/75/1167127775.db2.gz RJZWKNJSDQKWTJ-QMMMGPOBSA-N -1 1 319.296 0.783 20 0 DCADMM CN1C[C@@H](OC(=O)c2cccc(F)c2-c2nn[n-]n2)CCC1=O ZINC001591172852 1167127783 /nfs/dbraw/zinc/12/77/83/1167127783.db2.gz RJZWKNJSDQKWTJ-QMMMGPOBSA-N -1 1 319.296 0.783 20 0 DCADMM CN(c1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@H]1CCN(C)C1=O ZINC001591179410 1167131964 /nfs/dbraw/zinc/13/19/64/1167131964.db2.gz MZCCSYVFZVPSRD-JTQLQIEISA-N -1 1 314.353 0.201 20 0 DCADMM CN(c1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@H]1CCN(C)C1=O ZINC001591179410 1167131970 /nfs/dbraw/zinc/13/19/70/1167131970.db2.gz MZCCSYVFZVPSRD-JTQLQIEISA-N -1 1 314.353 0.201 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H]1CCCCN(C)C1=O ZINC001591187223 1167137933 /nfs/dbraw/zinc/13/79/33/1167137933.db2.gz RRKPWGJPTMMQHE-SECBINFHSA-N -1 1 318.337 0.543 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCCN(C)C1=O ZINC001591187223 1167137936 /nfs/dbraw/zinc/13/79/36/1167137936.db2.gz RRKPWGJPTMMQHE-SECBINFHSA-N -1 1 318.337 0.543 20 0 DCADMM CNC(=O)[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001591201356 1167150638 /nfs/dbraw/zinc/15/06/38/1167150638.db2.gz AXXIQMPZYZSEGW-RXMQYKEDSA-N -1 1 313.774 0.549 20 0 DCADMM CNC(=O)[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001591201356 1167150642 /nfs/dbraw/zinc/15/06/42/1167150642.db2.gz AXXIQMPZYZSEGW-RXMQYKEDSA-N -1 1 313.774 0.549 20 0 DCADMM CNC(=O)[C@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC001591202218 1167151447 /nfs/dbraw/zinc/15/14/47/1167151447.db2.gz PGYGZNBFVTUTQL-JTQLQIEISA-N -1 1 323.360 0.987 20 0 DCADMM CNC(=O)[C@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC001591202218 1167151451 /nfs/dbraw/zinc/15/14/51/1167151451.db2.gz PGYGZNBFVTUTQL-JTQLQIEISA-N -1 1 323.360 0.987 20 0 DCADMM COC(=O)[C@@H](CNc1cc(-c2nnn[n-]2)nc(C)n1)CC1CC1 ZINC001591231669 1167168684 /nfs/dbraw/zinc/16/86/84/1167168684.db2.gz HGYDLYYNNUYPTE-SNVBAGLBSA-N -1 1 317.353 0.966 20 0 DCADMM COC(=O)[C@@H](CNc1cc(-c2nn[n-]n2)nc(C)n1)CC1CC1 ZINC001591231669 1167168686 /nfs/dbraw/zinc/16/86/86/1167168686.db2.gz HGYDLYYNNUYPTE-SNVBAGLBSA-N -1 1 317.353 0.966 20 0 DCADMM COC(=O)[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591230254 1167168799 /nfs/dbraw/zinc/16/87/99/1167168799.db2.gz XGMULSREVASSJM-ZETCQYMHSA-N -1 1 307.310 0.649 20 0 DCADMM COC(=O)[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591230254 1167168802 /nfs/dbraw/zinc/16/88/02/1167168802.db2.gz XGMULSREVASSJM-ZETCQYMHSA-N -1 1 307.310 0.649 20 0 DCADMM COC(=O)CCCOC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591263554 1167185758 /nfs/dbraw/zinc/18/57/58/1167185758.db2.gz DEAUUDLETHUPEU-UHFFFAOYSA-N -1 1 305.294 0.301 20 0 DCADMM COC(=O)CCCOC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591263554 1167185764 /nfs/dbraw/zinc/18/57/64/1167185764.db2.gz DEAUUDLETHUPEU-UHFFFAOYSA-N -1 1 305.294 0.301 20 0 DCADMM COC(=O)C[C@@H]1COCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001591263341 1167185849 /nfs/dbraw/zinc/18/58/49/1167185849.db2.gz YOJIEVHUYWODQC-SECBINFHSA-N -1 1 304.310 0.030 20 0 DCADMM COC(=O)C[C@@H]1COCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001591263341 1167185856 /nfs/dbraw/zinc/18/58/56/1167185856.db2.gz YOJIEVHUYWODQC-SECBINFHSA-N -1 1 304.310 0.030 20 0 DCADMM COC(=O)C[C@H]1CN(Cc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001591264323 1167187186 /nfs/dbraw/zinc/18/71/86/1167187186.db2.gz NWOQURJQICLNRK-NSHDSACASA-N -1 1 318.337 0.026 20 0 DCADMM COC(=O)C[C@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001591264323 1167187194 /nfs/dbraw/zinc/18/71/94/1167187194.db2.gz NWOQURJQICLNRK-NSHDSACASA-N -1 1 318.337 0.026 20 0 DCADMM COC(=O)CN(Cc1cccc(-c2nn[n-]n2)n1)CC(C)C ZINC001591267975 1167189534 /nfs/dbraw/zinc/18/95/34/1167189534.db2.gz PJMQXWXVIPWRBS-UHFFFAOYSA-N -1 1 304.354 0.893 20 0 DCADMM COC(=O)C[C@@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001591270371 1167191998 /nfs/dbraw/zinc/19/19/98/1167191998.db2.gz RAFOPZSYAJDPAA-BDAKNGLRSA-N -1 1 303.326 0.222 20 0 DCADMM COC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)O3)c(-c2nnn[n-]2)n1 ZINC001591293912 1167204009 /nfs/dbraw/zinc/20/40/09/1167204009.db2.gz SDKLMJVVLITOII-DTORHVGOSA-N -1 1 316.321 0.416 20 0 DCADMM COC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)O3)c(-c2nn[n-]n2)n1 ZINC001591293912 1167204013 /nfs/dbraw/zinc/20/40/13/1167204013.db2.gz SDKLMJVVLITOII-DTORHVGOSA-N -1 1 316.321 0.416 20 0 DCADMM CO[C@](C)(C(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001591315664 1167209605 /nfs/dbraw/zinc/20/96/05/1167209605.db2.gz ZHQQGMYEVUYBEG-AWEZNQCLSA-N -1 1 302.338 0.693 20 0 DCADMM CO[C@](C)(C(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001591315664 1167209610 /nfs/dbraw/zinc/20/96/10/1167209610.db2.gz ZHQQGMYEVUYBEG-AWEZNQCLSA-N -1 1 302.338 0.693 20 0 DCADMM COC(C)(C)[C@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591316562 1167209841 /nfs/dbraw/zinc/20/98/41/1167209841.db2.gz PYVUXAVUDLBXFA-ZETCQYMHSA-N -1 1 308.346 0.535 20 0 DCADMM COC(C)(C)[C@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591316562 1167209849 /nfs/dbraw/zinc/20/98/49/1167209849.db2.gz PYVUXAVUDLBXFA-ZETCQYMHSA-N -1 1 308.346 0.535 20 0 DCADMM COC(=O)c1sccc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001591309690 1167210965 /nfs/dbraw/zinc/21/09/65/1167210965.db2.gz YOVJQQKAJAAUKK-UHFFFAOYSA-N -1 1 317.330 0.925 20 0 DCADMM CO[C@H](CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)CC(C)C ZINC001591330527 1167218191 /nfs/dbraw/zinc/21/81/91/1167218191.db2.gz INZYMAQNAILBMA-ZJUUUORDSA-N -1 1 322.373 0.197 20 0 DCADMM COC1(C(F)(F)F)CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001591338931 1167222855 /nfs/dbraw/zinc/22/28/55/1167222855.db2.gz HXUATLLGEOAWLL-UHFFFAOYSA-N -1 1 301.232 0.424 20 0 DCADMM COC1(C(F)(F)F)CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001591338931 1167222860 /nfs/dbraw/zinc/22/28/60/1167222860.db2.gz HXUATLLGEOAWLL-UHFFFAOYSA-N -1 1 301.232 0.424 20 0 DCADMM CO[C@@H]1CC[C@@H](OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591349706 1167229131 /nfs/dbraw/zinc/22/91/31/1167229131.db2.gz BPRLGNSHOVHMGE-IWSPIJDZSA-N -1 1 307.314 0.130 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591361346 1167236102 /nfs/dbraw/zinc/23/61/02/1167236102.db2.gz LPZZROCNXDUUBO-VHSXEESVSA-N -1 1 323.378 0.804 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591361346 1167236108 /nfs/dbraw/zinc/23/61/08/1167236108.db2.gz LPZZROCNXDUUBO-VHSXEESVSA-N -1 1 323.378 0.804 20 0 DCADMM COC[C@H](C)CCOC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591374906 1167245295 /nfs/dbraw/zinc/24/52/95/1167245295.db2.gz ZJTXONUZAKOKCJ-BDAKNGLRSA-N -1 1 309.330 0.235 20 0 DCADMM COC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001591380224 1167249202 /nfs/dbraw/zinc/24/92/02/1167249202.db2.gz HEVKVMHAFADGBP-VXGBXAGGSA-N -1 1 318.337 0.186 20 0 DCADMM COC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001591380224 1167249208 /nfs/dbraw/zinc/24/92/08/1167249208.db2.gz HEVKVMHAFADGBP-VXGBXAGGSA-N -1 1 318.337 0.186 20 0 DCADMM COC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001591382639 1167251875 /nfs/dbraw/zinc/25/18/75/1167251875.db2.gz LLTPHSZYTUKETE-NSHDSACASA-N -1 1 305.342 0.510 20 0 DCADMM COC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC001591382639 1167251880 /nfs/dbraw/zinc/25/18/80/1167251880.db2.gz LLTPHSZYTUKETE-NSHDSACASA-N -1 1 305.342 0.510 20 0 DCADMM COCC1(CC(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001591387327 1167256775 /nfs/dbraw/zinc/25/67/75/1167256775.db2.gz GIQOQRRGHFPBSB-UHFFFAOYSA-N -1 1 305.342 0.664 20 0 DCADMM COCC1(CC(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC001591387327 1167256781 /nfs/dbraw/zinc/25/67/81/1167256781.db2.gz GIQOQRRGHFPBSB-UHFFFAOYSA-N -1 1 305.342 0.664 20 0 DCADMM COCC1(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CCC1 ZINC001591389173 1167257287 /nfs/dbraw/zinc/25/72/87/1167257287.db2.gz LQQRNESIYNZYEY-SECBINFHSA-N -1 1 321.341 0.379 20 0 DCADMM COC[C@@H]1CCN1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001591393865 1167260277 /nfs/dbraw/zinc/26/02/77/1167260277.db2.gz JOMWUSVYHBEZTN-NSHDSACASA-N -1 1 316.365 0.195 20 0 DCADMM COC[C@@H]1CN(c2ccc(C)nc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC001591395571 1167264128 /nfs/dbraw/zinc/26/41/28/1167264128.db2.gz FKDZOQJNHISHRZ-MNOVXSKESA-N -1 1 304.354 0.810 20 0 DCADMM COC[C@@H]1CN(c2ccc(C)nc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001591395571 1167264135 /nfs/dbraw/zinc/26/41/35/1167264135.db2.gz FKDZOQJNHISHRZ-MNOVXSKESA-N -1 1 304.354 0.810 20 0 DCADMM COCC[C@H](C)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591399153 1167269880 /nfs/dbraw/zinc/26/98/80/1167269880.db2.gz NJXQTFUOSFBYLR-ZETCQYMHSA-N -1 1 311.371 0.547 20 0 DCADMM COCC[C@H](C)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591399153 1167269884 /nfs/dbraw/zinc/26/98/84/1167269884.db2.gz NJXQTFUOSFBYLR-ZETCQYMHSA-N -1 1 311.371 0.547 20 0 DCADMM COCCO[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591434713 1167286701 /nfs/dbraw/zinc/28/67/01/1167286701.db2.gz UQMHPUOMIWGATP-NSHDSACASA-N -1 1 318.337 0.139 20 0 DCADMM COCCO[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591434713 1167286709 /nfs/dbraw/zinc/28/67/09/1167286709.db2.gz UQMHPUOMIWGATP-NSHDSACASA-N -1 1 318.337 0.139 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCC[C@@H]1CCOC1 ZINC001591475124 1167307220 /nfs/dbraw/zinc/30/72/20/1167307220.db2.gz RMDOTHWRECDGEE-SNVBAGLBSA-N -1 1 305.338 0.854 20 0 DCADMM COc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001591511266 1167316526 /nfs/dbraw/zinc/31/65/26/1167316526.db2.gz NIENTBQMXKJJMT-UHFFFAOYSA-N -1 1 311.305 0.942 20 0 DCADMM COc1cccc(C(=O)Cn2cncc(-c3nn[n-]n3)c2=O)c1 ZINC001591631911 1167341926 /nfs/dbraw/zinc/34/19/26/1167341926.db2.gz ILYAHUDPKCMZLV-UHFFFAOYSA-N -1 1 312.289 0.315 20 0 DCADMM COc1ncc(NC(=O)c2cncs2)cc1-c1nn[n-]n1 ZINC001591667665 1167345931 /nfs/dbraw/zinc/34/59/31/1167345931.db2.gz BQXQWLREADTBAY-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1ncc(NC(=O)N2CC[C@H](OC)C2)cc1-c1nn[n-]n1 ZINC001591666234 1167346302 /nfs/dbraw/zinc/34/63/02/1167346302.db2.gz JXTCGAHAYCCFDF-VIFPVBQESA-N -1 1 319.325 0.523 20 0 DCADMM COc1ncc(NC(=O)NCC[C@H](C)OC)cc1-c1nn[n-]n1 ZINC001591665966 1167347173 /nfs/dbraw/zinc/34/71/73/1167347173.db2.gz XUPPKGKGKNAIPA-QMMMGPOBSA-N -1 1 321.341 0.817 20 0 DCADMM C[S@](=O)C1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001591682624 1167352462 /nfs/dbraw/zinc/35/24/62/1167352462.db2.gz LERPHNXZTYDHFJ-QFIPXVFZSA-N -1 1 320.378 0.293 20 0 DCADMM C[S@](=O)C1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001591682624 1167352467 /nfs/dbraw/zinc/35/24/67/1167352467.db2.gz LERPHNXZTYDHFJ-QFIPXVFZSA-N -1 1 320.378 0.293 20 0 DCADMM CS[C@H]1C[C@@H](OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591702648 1167359423 /nfs/dbraw/zinc/35/94/23/1167359423.db2.gz PGOSNBZXJMOFRP-PRJMDXOYSA-N -1 1 309.355 0.456 20 0 DCADMM C[C@@H](CNC(=O)OC(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001591723508 1167361679 /nfs/dbraw/zinc/36/16/79/1167361679.db2.gz PELFCGWCJRIBAB-QMMMGPOBSA-N -1 1 320.357 0.982 20 0 DCADMM C[C@@H](CNC(=O)OC(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001591723508 1167361682 /nfs/dbraw/zinc/36/16/82/1167361682.db2.gz PELFCGWCJRIBAB-QMMMGPOBSA-N -1 1 320.357 0.982 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C(C)(C)C ZINC001591725035 1167362215 /nfs/dbraw/zinc/36/22/15/1167362215.db2.gz TYYDGIQITBZIBY-QMMMGPOBSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C(C)(C)C ZINC001591725035 1167362218 /nfs/dbraw/zinc/36/22/18/1167362218.db2.gz TYYDGIQITBZIBY-QMMMGPOBSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001591752126 1167366676 /nfs/dbraw/zinc/36/66/76/1167366676.db2.gz VFALVEDNPYJFFP-OPRDCNLKSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001591752126 1167366681 /nfs/dbraw/zinc/36/66/81/1167366681.db2.gz VFALVEDNPYJFFP-OPRDCNLKSA-N -1 1 314.353 0.326 20 0 DCADMM Cc1c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n[nH]c1C1CC1 ZINC001591813962 1167385127 /nfs/dbraw/zinc/38/51/27/1167385127.db2.gz LNGJPCFOKZKTDB-UHFFFAOYSA-N -1 1 314.313 0.006 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC1=CCCOC1 ZINC001591836032 1167389699 /nfs/dbraw/zinc/38/96/99/1167389699.db2.gz VGZJWIHUXQFYTQ-UHFFFAOYSA-N -1 1 316.321 0.352 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2nn(C)cc2Cl)c1 ZINC001591837205 1167391105 /nfs/dbraw/zinc/39/11/05/1167391105.db2.gz VNVDICJLBWAXKG-UHFFFAOYSA-N -1 1 305.729 0.772 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1ccncc1 ZINC001591835901 1167391388 /nfs/dbraw/zinc/39/13/88/1167391388.db2.gz ZURIAFJQSPSQKL-UHFFFAOYSA-N -1 1 311.305 0.601 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H](O)c2cccnc2)n1 ZINC001591883478 1167408608 /nfs/dbraw/zinc/40/86/08/1167408608.db2.gz PAHVKPJSNMJFMD-GFCCVEGCSA-N -1 1 312.337 0.530 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H](O)c2cccnc2)n1 ZINC001591883478 1167408610 /nfs/dbraw/zinc/40/86/10/1167408610.db2.gz PAHVKPJSNMJFMD-GFCCVEGCSA-N -1 1 312.337 0.530 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(C)(C)[C@H]3COC[C@H]32)n1 ZINC001591884396 1167410490 /nfs/dbraw/zinc/41/04/90/1167410490.db2.gz YRQRENIDBZZSJU-GXSJLCMTSA-N -1 1 301.354 0.826 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(C)(C)[C@H]3COC[C@H]32)n1 ZINC001591884396 1167410492 /nfs/dbraw/zinc/41/04/92/1167410492.db2.gz YRQRENIDBZZSJU-GXSJLCMTSA-N -1 1 301.354 0.826 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC001591888444 1167410806 /nfs/dbraw/zinc/41/08/06/1167410806.db2.gz WPAVAMZYAFGVMZ-ZJUUUORDSA-N -1 1 315.337 0.505 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC001591888444 1167410809 /nfs/dbraw/zinc/41/08/09/1167410809.db2.gz WPAVAMZYAFGVMZ-ZJUUUORDSA-N -1 1 315.337 0.505 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H](C(F)(F)F)C2)n1 ZINC001591888366 1167411586 /nfs/dbraw/zinc/41/15/86/1167411586.db2.gz KJYVYAVFKXCZQC-QMMMGPOBSA-N -1 1 315.259 0.733 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H](C(F)(F)F)C2)n1 ZINC001591888366 1167411587 /nfs/dbraw/zinc/41/15/87/1167411587.db2.gz KJYVYAVFKXCZQC-QMMMGPOBSA-N -1 1 315.259 0.733 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](CCO)C2CCOCC2)n1 ZINC001591891452 1167413474 /nfs/dbraw/zinc/41/34/74/1167413474.db2.gz UYIUKUCYTKHRHJ-NSHDSACASA-N -1 1 319.369 0.555 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](CCO)C2CCOCC2)n1 ZINC001591891452 1167413479 /nfs/dbraw/zinc/41/34/79/1167413479.db2.gz UYIUKUCYTKHRHJ-NSHDSACASA-N -1 1 319.369 0.555 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCS(=O)(=O)CC2)n1 ZINC001591896069 1167413799 /nfs/dbraw/zinc/41/37/99/1167413799.db2.gz FSMZVHKTMIDPJJ-UHFFFAOYSA-N -1 1 323.382 0.202 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCS(=O)(=O)CC2)n1 ZINC001591896069 1167413801 /nfs/dbraw/zinc/41/38/01/1167413801.db2.gz FSMZVHKTMIDPJJ-UHFFFAOYSA-N -1 1 323.382 0.202 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC[S@@](=O)C(C)(C)C)n1 ZINC001591899713 1167413955 /nfs/dbraw/zinc/41/39/55/1167413955.db2.gz SWEQHZALSIMCSM-OAQYLSRUSA-N -1 1 309.399 0.924 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[S@@](=O)C(C)(C)C)n1 ZINC001591899713 1167413959 /nfs/dbraw/zinc/41/39/59/1167413959.db2.gz SWEQHZALSIMCSM-OAQYLSRUSA-N -1 1 309.399 0.924 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](CC(N)=O)c2ccccc2)n1 ZINC001591901286 1167415867 /nfs/dbraw/zinc/41/58/67/1167415867.db2.gz VRLXSOQMOWWOOW-NSHDSACASA-N -1 1 324.348 0.994 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](CC(N)=O)c2ccccc2)n1 ZINC001591901286 1167415868 /nfs/dbraw/zinc/41/58/68/1167415868.db2.gz VRLXSOQMOWWOOW-NSHDSACASA-N -1 1 324.348 0.994 20 0 DCADMM Cc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cc(=O)[nH]1 ZINC001591929174 1167420783 /nfs/dbraw/zinc/42/07/83/1167420783.db2.gz MXAZVHQJCBJMSB-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cc(=O)[nH]1 ZINC001591929174 1167420785 /nfs/dbraw/zinc/42/07/85/1167420785.db2.gz MXAZVHQJCBJMSB-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1cc(N[C@H](C)CN2CCCC2=O)nc(-c2nnn[n-]2)c1 ZINC001592032692 1167439482 /nfs/dbraw/zinc/43/94/82/1167439482.db2.gz BKNRCEDVYCZMRH-SNVBAGLBSA-N -1 1 301.354 0.993 20 0 DCADMM Cc1cc(N[C@H](C)CN2CCCC2=O)nc(-c2nn[n-]n2)c1 ZINC001592032692 1167439487 /nfs/dbraw/zinc/43/94/87/1167439487.db2.gz BKNRCEDVYCZMRH-SNVBAGLBSA-N -1 1 301.354 0.993 20 0 DCADMM Cc1cc(N[C@@H](C)C2(S(C)(=O)=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001592034563 1167441266 /nfs/dbraw/zinc/44/12/66/1167441266.db2.gz OTGRBKBQOMZOAV-VIFPVBQESA-N -1 1 322.394 0.370 20 0 DCADMM Cc1cc(N[C@@H](C)C2(S(C)(=O)=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001592034563 1167441273 /nfs/dbraw/zinc/44/12/73/1167441273.db2.gz OTGRBKBQOMZOAV-VIFPVBQESA-N -1 1 322.394 0.370 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(S(C)(=O)=O)CC1 ZINC001592110706 1167458679 /nfs/dbraw/zinc/45/86/79/1167458679.db2.gz SUBOOVYSZIBSCJ-UHFFFAOYSA-N -1 1 322.394 0.584 20 0 DCADMM Cc1ccc(N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001592175319 1167467969 /nfs/dbraw/zinc/46/79/69/1167467969.db2.gz PEDRBSVVRJBSRT-AOOOYVTPSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001592175319 1167467974 /nfs/dbraw/zinc/46/79/74/1167467974.db2.gz PEDRBSVVRJBSRT-AOOOYVTPSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(N2CCO[C@]3(CCCOC3)C2)nc1-c1nnn[n-]1 ZINC001592175108 1167468851 /nfs/dbraw/zinc/46/88/51/1167468851.db2.gz HCJBSSJNFAAQHI-OAHLLOKOSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(N2CCO[C@]3(CCCOC3)C2)nc1-c1nn[n-]n1 ZINC001592175108 1167468855 /nfs/dbraw/zinc/46/88/55/1167468855.db2.gz HCJBSSJNFAAQHI-OAHLLOKOSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(N2CCOC3(CCOCC3)C2)nc1-c1nnn[n-]1 ZINC001592176099 1167469646 /nfs/dbraw/zinc/46/96/46/1167469646.db2.gz PIEPGSYSWZDQIS-UHFFFAOYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(N2CCOC3(CCOCC3)C2)nc1-c1nn[n-]n1 ZINC001592176099 1167469649 /nfs/dbraw/zinc/46/96/49/1167469649.db2.gz PIEPGSYSWZDQIS-UHFFFAOYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(NC[C@]2(OCCO)CCOC2)nc1-c1nnn[n-]1 ZINC001592183098 1167470777 /nfs/dbraw/zinc/47/07/77/1167470777.db2.gz MAQWLDIFBYCDTN-CQSZACIVSA-N -1 1 320.353 0.150 20 0 DCADMM Cc1ccc(NC[C@]2(OCCO)CCOC2)nc1-c1nn[n-]n1 ZINC001592183098 1167470784 /nfs/dbraw/zinc/47/07/84/1167470784.db2.gz MAQWLDIFBYCDTN-CQSZACIVSA-N -1 1 320.353 0.150 20 0 DCADMM Cc1ccc(NC[C@@H]2CCCS(=O)(=O)C2)nc1-c1nnn[n-]1 ZINC001592183006 1167471203 /nfs/dbraw/zinc/47/12/03/1167471203.db2.gz IZUDVEDUSWDKOF-JTQLQIEISA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(NC[C@@H]2CCCS(=O)(=O)C2)nc1-c1nn[n-]n1 ZINC001592183006 1167471207 /nfs/dbraw/zinc/47/12/07/1167471207.db2.gz IZUDVEDUSWDKOF-JTQLQIEISA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(OCC(=O)n2ncc(-c3nn[n-]n3)c2N)c(C)c1 ZINC001592188079 1167472899 /nfs/dbraw/zinc/47/28/99/1167472899.db2.gz LLFIKFFUEFCFFO-UHFFFAOYSA-N -1 1 313.321 0.981 20 0 DCADMM Cc1ccn(CN(C)C[C@@H]2CCCCO2)c(=O)c1-c1nn[n-]n1 ZINC001592266016 1167479856 /nfs/dbraw/zinc/47/98/56/1167479856.db2.gz MOCGCRLEFRHTNK-LBPRGKRZSA-N -1 1 318.381 0.795 20 0 DCADMM Cc1[nH]nc(NC(=O)c2c[nH]c(C(C)C)n2)c1-c1nn[n-]n1 ZINC001592331202 1167490160 /nfs/dbraw/zinc/49/01/60/1167490160.db2.gz ZLFCUSZSNWTGGN-UHFFFAOYSA-N -1 1 301.314 0.997 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccc3cccnn32)c1-c1nn[n-]n1 ZINC001592333015 1167490652 /nfs/dbraw/zinc/49/06/52/1167490652.db2.gz XXOBXFJGGJFKEW-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCc3nc(N)sc3C2)n1 ZINC001592341166 1167495041 /nfs/dbraw/zinc/49/50/41/1167495041.db2.gz NMTXVBNALTYWNN-UHFFFAOYSA-N -1 1 315.366 0.567 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCc3nc(N)sc3C2)n1 ZINC001592341166 1167495046 /nfs/dbraw/zinc/49/50/46/1167495046.db2.gz NMTXVBNALTYWNN-UHFFFAOYSA-N -1 1 315.366 0.567 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCNC(=O)[C@H]2CC(C)C)n1 ZINC001592339749 1167495116 /nfs/dbraw/zinc/49/51/16/1167495116.db2.gz CNOUJIBAWSGWFJ-LLVKDONJSA-N -1 1 316.369 0.316 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCNC(=O)[C@H]2CC(C)C)n1 ZINC001592339749 1167495118 /nfs/dbraw/zinc/49/51/18/1167495118.db2.gz CNOUJIBAWSGWFJ-LLVKDONJSA-N -1 1 316.369 0.316 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCOC[C@@H]2CC2CC2)n1 ZINC001592340197 1167495880 /nfs/dbraw/zinc/49/58/80/1167495880.db2.gz DVIATWJBWARRCE-NSHDSACASA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCOC[C@@H]2CC2CC2)n1 ZINC001592340197 1167495883 /nfs/dbraw/zinc/49/58/83/1167495883.db2.gz DVIATWJBWARRCE-NSHDSACASA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(N[C@H](C)[C@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592378194 1167509426 /nfs/dbraw/zinc/50/94/26/1167509426.db2.gz FKPRKTWEWMJPCR-VHWMUFPASA-N -1 1 303.248 0.689 20 0 DCADMM Cc1nc(N[C@H](C)[C@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592378194 1167509432 /nfs/dbraw/zinc/50/94/32/1167509432.db2.gz FKPRKTWEWMJPCR-VHWMUFPASA-N -1 1 303.248 0.689 20 0 DCADMM Cc1nc(N[C@H]2CCN(C(C)C)C2=O)cc(-c2nnn[n-]2)n1 ZINC001592382466 1167510855 /nfs/dbraw/zinc/51/08/55/1167510855.db2.gz FGRUWPOEAFFMTB-VIFPVBQESA-N -1 1 302.342 0.386 20 0 DCADMM Cc1nc(N[C@H]2CCN(C(C)C)C2=O)cc(-c2nn[n-]n2)n1 ZINC001592382466 1167510860 /nfs/dbraw/zinc/51/08/60/1167510860.db2.gz FGRUWPOEAFFMTB-VIFPVBQESA-N -1 1 302.342 0.386 20 0 DCADMM Cc1nn(C)c(NC(=O)C=Cc2cccnc2)c1-c1nnn[n-]1 ZINC001592433496 1167520486 /nfs/dbraw/zinc/52/04/86/1167520486.db2.gz BHLWBRMBRXMKCZ-AATRIKPKSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1nn(C)c(NC(=O)C=Cc2cccnc2)c1-c1nn[n-]n1 ZINC001592433496 1167520491 /nfs/dbraw/zinc/52/04/91/1167520491.db2.gz BHLWBRMBRXMKCZ-AATRIKPKSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1nn(C[C@@H]2C[C@@H]3CCC[C@H]3O2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436681 1167522593 /nfs/dbraw/zinc/52/25/93/1167522593.db2.gz ZFCYMNNMLQFGSP-SDDRHHMPSA-N -1 1 316.365 0.998 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)o1 ZINC001592440658 1167523717 /nfs/dbraw/zinc/52/37/17/1167523717.db2.gz FQMCKMBLGDWIJO-YFKPBYRVSA-N -1 1 318.297 0.274 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)o1 ZINC001592440658 1167523721 /nfs/dbraw/zinc/52/37/21/1167523721.db2.gz FQMCKMBLGDWIJO-YFKPBYRVSA-N -1 1 318.297 0.274 20 0 DCADMM Cc1noc(C)c1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592458514 1167529446 /nfs/dbraw/zinc/52/94/46/1167529446.db2.gz UTRAHKJCKMFDSJ-UHFFFAOYSA-N -1 1 305.323 0.858 20 0 DCADMM Cc1noc(C)c1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592458514 1167529448 /nfs/dbraw/zinc/52/94/48/1167529448.db2.gz UTRAHKJCKMFDSJ-UHFFFAOYSA-N -1 1 305.323 0.858 20 0 DCADMM Cc1nsc(NC(=O)NCC(=O)NC(C)C)c1-c1nnn[n-]1 ZINC001592481007 1167535768 /nfs/dbraw/zinc/53/57/68/1167535768.db2.gz BVNLIGFPAXAWTD-UHFFFAOYSA-N -1 1 324.370 0.278 20 0 DCADMM Cc1nsc(NC(=O)NCC(=O)NC(C)C)c1-c1nn[n-]n1 ZINC001592481007 1167535772 /nfs/dbraw/zinc/53/57/72/1167535772.db2.gz BVNLIGFPAXAWTD-UHFFFAOYSA-N -1 1 324.370 0.278 20 0 DCADMM Cc1nsc(N[C@H]2CC[C@@H](O)[C@@H](O)CC2)c1-c1nn[n-]n1 ZINC001592486474 1167536394 /nfs/dbraw/zinc/53/63/94/1167536394.db2.gz NOVIEEBTMYRSOJ-AYMMMOKOSA-N -1 1 310.383 0.708 20 0 DCADMM Cc1nsc(NC(=O)NC[C@H]2CCC[C@@H]2O)c1-c1nnn[n-]1 ZINC001592483349 1167536565 /nfs/dbraw/zinc/53/65/65/1167536565.db2.gz KPRUXRWGOJSLSW-SFYZADRCSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)NC[C@H]2CCC[C@@H]2O)c1-c1nn[n-]n1 ZINC001592483349 1167536573 /nfs/dbraw/zinc/53/65/73/1167536573.db2.gz KPRUXRWGOJSLSW-SFYZADRCSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@H](C)[S@@](C)=O ZINC001592502209 1167540550 /nfs/dbraw/zinc/54/05/50/1167540550.db2.gz MCFDXPRMFZOWEB-WODJRTHDSA-N -1 1 311.367 0.655 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@@H](C)[S@@](C)=O ZINC001592502209 1167540555 /nfs/dbraw/zinc/54/05/55/1167540555.db2.gz MCFDXPRMFZOWEB-WODJRTHDSA-N -1 1 311.367 0.655 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@H](O)C(F)F ZINC001592503687 1167543249 /nfs/dbraw/zinc/54/32/49/1167543249.db2.gz WTDNLVRIZDBKRY-ZETCQYMHSA-N -1 1 301.253 0.514 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@H](O)C(F)F ZINC001592503687 1167543254 /nfs/dbraw/zinc/54/32/54/1167543254.db2.gz WTDNLVRIZDBKRY-ZETCQYMHSA-N -1 1 301.253 0.514 20 0 DCADMM Cc1oc(NC(=O)[C@@H](C)N2CC[C@H]2CO)c(-c2nn[n-]n2)c1C ZINC001592509701 1167544147 /nfs/dbraw/zinc/54/41/47/1167544147.db2.gz WCZMSBCLPMJMTP-SCZZXKLOSA-N -1 1 320.353 0.470 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@H]1CNC(=O)C1 ZINC001592503618 1167544458 /nfs/dbraw/zinc/54/44/58/1167544458.db2.gz VXHOUTBVUOBNFN-QMMMGPOBSA-N -1 1 304.310 0.024 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@@H]1CNC(=O)C1 ZINC001592503618 1167544463 /nfs/dbraw/zinc/54/44/63/1167544463.db2.gz VXHOUTBVUOBNFN-QMMMGPOBSA-N -1 1 304.310 0.024 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@]2(C)CO)c1-c1nnn[n-]1 ZINC001592515606 1167544723 /nfs/dbraw/zinc/54/47/23/1167544723.db2.gz INJUCEMRBAZIKF-ZDUSSCGKSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@]2(C)CO)c1-c1nn[n-]n1 ZINC001592515606 1167544729 /nfs/dbraw/zinc/54/47/29/1167544729.db2.gz INJUCEMRBAZIKF-ZDUSSCGKSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)Nc2ccn(CCF)n2)c1-c1nnn[n-]1 ZINC001592517010 1167546093 /nfs/dbraw/zinc/54/60/93/1167546093.db2.gz QKVBEACCOCJBFG-UHFFFAOYSA-N -1 1 320.288 0.510 20 0 DCADMM Cc1onc(CC(=O)Nc2ccn(CCF)n2)c1-c1nn[n-]n1 ZINC001592517010 1167546100 /nfs/dbraw/zinc/54/61/00/1167546100.db2.gz QKVBEACCOCJBFG-UHFFFAOYSA-N -1 1 320.288 0.510 20 0 DCADMM Cc1onc(CC(=O)NC[C@H](CO)C(C)C)c1-c1nnn[n-]1 ZINC001592517869 1167546264 /nfs/dbraw/zinc/54/62/64/1167546264.db2.gz VXBVQQNFHRBCHP-SECBINFHSA-N -1 1 308.342 0.086 20 0 DCADMM Cc1onc(CC(=O)NC[C@H](CO)C(C)C)c1-c1nn[n-]n1 ZINC001592517869 1167546273 /nfs/dbraw/zinc/54/62/73/1167546273.db2.gz VXBVQQNFHRBCHP-SECBINFHSA-N -1 1 308.342 0.086 20 0 DCADMM Cc1onc(CC(=O)NC2CCC(=O)CC2)c1-c1nnn[n-]1 ZINC001592517752 1167547174 /nfs/dbraw/zinc/54/71/74/1167547174.db2.gz OYBRVQIGGKXBPF-UHFFFAOYSA-N -1 1 304.310 0.334 20 0 DCADMM Cc1onc(CC(=O)NC2CCC(=O)CC2)c1-c1nn[n-]n1 ZINC001592517752 1167547183 /nfs/dbraw/zinc/54/71/83/1167547183.db2.gz OYBRVQIGGKXBPF-UHFFFAOYSA-N -1 1 304.310 0.334 20 0 DCADMM Cn1c(=O)[nH]c(N2CCCCCCCC2)c(-c2nn[n-]n2)c1=O ZINC001592544621 1167550585 /nfs/dbraw/zinc/55/05/85/1167550585.db2.gz UDGBHADDABOKLW-UHFFFAOYSA-N -1 1 319.369 0.414 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC[C@@H]2C[C@H]2C2CC2)c1=O ZINC001592558197 1167557168 /nfs/dbraw/zinc/55/71/68/1167557168.db2.gz UDFZLHTXDZWDML-ZJUUUORDSA-N -1 1 302.338 0.163 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@@H]2Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592556704 1167557591 /nfs/dbraw/zinc/55/75/91/1167557591.db2.gz DAJZMNCMCPWBJH-JTQLQIEISA-N -1 1 324.348 0.845 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@@H]2Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592556704 1167557597 /nfs/dbraw/zinc/55/75/97/1167557597.db2.gz DAJZMNCMCPWBJH-JTQLQIEISA-N -1 1 324.348 0.845 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC(C)(C)C(C)(C)C)n(C)c1=O ZINC001592555937 1167557960 /nfs/dbraw/zinc/55/79/60/1167557960.db2.gz VLKGHFZFBCNGIJ-UHFFFAOYSA-N -1 1 321.385 0.501 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCc2nccs2)n1 ZINC001592558985 1167558906 /nfs/dbraw/zinc/55/89/06/1167558906.db2.gz QUSLGCLDKOQIQN-UHFFFAOYSA-N -1 1 304.339 0.628 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCc2nccs2)n1 ZINC001592558985 1167558915 /nfs/dbraw/zinc/55/89/15/1167558915.db2.gz QUSLGCLDKOQIQN-UHFFFAOYSA-N -1 1 304.339 0.628 20 0 DCADMM Cn1c(CNc2ccnc(-c3nn[n-]n3)n2)nc2ccccc21 ZINC001592552708 1167559058 /nfs/dbraw/zinc/55/90/58/1167559058.db2.gz MNDAWZBCZFJBPE-UHFFFAOYSA-N -1 1 307.321 0.577 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCCC(C)(F)F)c1=O ZINC001592557668 1167559355 /nfs/dbraw/zinc/55/93/55/1167559355.db2.gz BNLUOKSENDVMMD-UHFFFAOYSA-N -1 1 300.269 0.163 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnc(C3CC3)nc2)n1 ZINC001592560024 1167560937 /nfs/dbraw/zinc/56/09/37/1167560937.db2.gz LSPJLWALWOXGPO-UHFFFAOYSA-N -1 1 311.309 0.520 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnc(C3CC3)nc2)n1 ZINC001592560024 1167560942 /nfs/dbraw/zinc/56/09/42/1167560942.db2.gz LSPJLWALWOXGPO-UHFFFAOYSA-N -1 1 311.309 0.520 20 0 DCADMM Cn1cc(CCNC(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001592569461 1167565046 /nfs/dbraw/zinc/56/50/46/1167565046.db2.gz OYTYKTCYCAETSR-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM FC(F)(F)c1noc(CNc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001592624675 1167587588 /nfs/dbraw/zinc/58/75/88/1167587588.db2.gz LRSFYZSNEKVZDI-UHFFFAOYSA-N -1 1 313.203 0.671 20 0 DCADMM FC(F)(F)c1noc(CNc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001592624675 1167587592 /nfs/dbraw/zinc/58/75/92/1167587592.db2.gz LRSFYZSNEKVZDI-UHFFFAOYSA-N -1 1 313.203 0.671 20 0 DCADMM NC(=O)[C@H]1CCN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001592720768 1167613740 /nfs/dbraw/zinc/61/37/40/1167613740.db2.gz QJFHRCZUMIEFNF-LURJTMIESA-N -1 1 322.275 0.092 20 0 DCADMM NC(=O)[C@H]1CCN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001592720768 1167613745 /nfs/dbraw/zinc/61/37/45/1167613745.db2.gz QJFHRCZUMIEFNF-LURJTMIESA-N -1 1 322.275 0.092 20 0 DCADMM NC(=O)[C@H]1CCCCC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001592722580 1167614010 /nfs/dbraw/zinc/61/40/10/1167614010.db2.gz ZYGZKLXCNCPZNS-IUCAKERBSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@H]1CCCCC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001592722580 1167614012 /nfs/dbraw/zinc/61/40/12/1167614012.db2.gz ZYGZKLXCNCPZNS-IUCAKERBSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001592725927 1167616127 /nfs/dbraw/zinc/61/61/27/1167616127.db2.gz IPYTULLNKRHHJW-VIFPVBQESA-N -1 1 318.337 0.577 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001592725927 1167616130 /nfs/dbraw/zinc/61/61/30/1167616130.db2.gz IPYTULLNKRHHJW-VIFPVBQESA-N -1 1 318.337 0.577 20 0 DCADMM NC(=O)CC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001592725926 1167616831 /nfs/dbraw/zinc/61/68/31/1167616831.db2.gz IPYTULLNKRHHJW-SECBINFHSA-N -1 1 318.337 0.577 20 0 DCADMM NC(=O)CC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001592725926 1167616834 /nfs/dbraw/zinc/61/68/34/1167616834.db2.gz IPYTULLNKRHHJW-SECBINFHSA-N -1 1 318.337 0.577 20 0 DCADMM NC(=O)c1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592737896 1167623440 /nfs/dbraw/zinc/62/34/40/1167623440.db2.gz QJLWUGBKQHCHBB-UHFFFAOYSA-N -1 1 313.273 0.916 20 0 DCADMM Nc1nccc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001592763173 1167638136 /nfs/dbraw/zinc/63/81/36/1167638136.db2.gz SSMHCTKUZVJBAG-VIFPVBQESA-N -1 1 324.352 0.413 20 0 DCADMM Nc1nccc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001592763173 1167638138 /nfs/dbraw/zinc/63/81/38/1167638138.db2.gz SSMHCTKUZVJBAG-VIFPVBQESA-N -1 1 324.352 0.413 20 0 DCADMM O=C(C1CC1)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001592773897 1167640100 /nfs/dbraw/zinc/64/01/00/1167640100.db2.gz MIFHOTABWIQVKE-SECBINFHSA-N -1 1 300.326 0.080 20 0 DCADMM O=C(C1CC1)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001592773897 1167640105 /nfs/dbraw/zinc/64/01/05/1167640105.db2.gz MIFHOTABWIQVKE-SECBINFHSA-N -1 1 300.326 0.080 20 0 DCADMM O=C(CCN1CCCC1=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592843575 1167650033 /nfs/dbraw/zinc/65/00/33/1167650033.db2.gz WELCPSNWZBCFGM-UHFFFAOYSA-N -1 1 301.310 0.213 20 0 DCADMM O=C(CCN1CCCC1=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592843575 1167650038 /nfs/dbraw/zinc/65/00/38/1167650038.db2.gz WELCPSNWZBCFGM-UHFFFAOYSA-N -1 1 301.310 0.213 20 0 DCADMM O=C(CCc1cn[nH]c1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592856727 1167651629 /nfs/dbraw/zinc/65/16/29/1167651629.db2.gz PHZDAOBMZHCYMR-UHFFFAOYSA-N -1 1 313.325 0.762 20 0 DCADMM O=C(CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)N1CCCC1 ZINC001592874420 1167654475 /nfs/dbraw/zinc/65/44/75/1167654475.db2.gz FNCXLEBBIFOJRZ-UHFFFAOYSA-N -1 1 314.353 0.568 20 0 DCADMM O=C(CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)N1CCCC1 ZINC001592874420 1167654480 /nfs/dbraw/zinc/65/44/80/1167654480.db2.gz FNCXLEBBIFOJRZ-UHFFFAOYSA-N -1 1 314.353 0.568 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1cccc(=O)[nH]1 ZINC001592913802 1167663494 /nfs/dbraw/zinc/66/34/94/1167663494.db2.gz IQJHWAVXBUIWDA-UHFFFAOYSA-N -1 1 311.305 0.221 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1cccc(=O)[nH]1 ZINC001592913802 1167663497 /nfs/dbraw/zinc/66/34/97/1167663497.db2.gz IQJHWAVXBUIWDA-UHFFFAOYSA-N -1 1 311.305 0.221 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001592916224 1167664797 /nfs/dbraw/zinc/66/47/97/1167664797.db2.gz YPQOIHJWCBRKJB-YPMHNXCESA-N -1 1 314.349 0.442 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001592916224 1167664804 /nfs/dbraw/zinc/66/48/04/1167664804.db2.gz YPQOIHJWCBRKJB-YPMHNXCESA-N -1 1 314.349 0.442 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC1(n2cccn2)CC1 ZINC001592914757 1167665656 /nfs/dbraw/zinc/66/56/56/1167665656.db2.gz GONMJVQOKREYSF-UHFFFAOYSA-N -1 1 324.348 0.306 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC1(n2cccn2)CC1 ZINC001592914757 1167665660 /nfs/dbraw/zinc/66/56/60/1167665660.db2.gz GONMJVQOKREYSF-UHFFFAOYSA-N -1 1 324.348 0.306 20 0 DCADMM O=C(Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O)C1CCCCC1 ZINC001592934419 1167666946 /nfs/dbraw/zinc/66/69/46/1167666946.db2.gz FRYHOIVVWXKERM-UHFFFAOYSA-N -1 1 304.310 0.278 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC(F)(F)CC1 ZINC001592940481 1167669444 /nfs/dbraw/zinc/66/94/44/1167669444.db2.gz JGIJCONLAWOVFC-UHFFFAOYSA-N -1 1 312.284 0.106 20 0 DCADMM O=C(N[C@H]1COC[C@@H]1C1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593002030 1167684796 /nfs/dbraw/zinc/68/47/96/1167684796.db2.gz VWHXBHRXIWMOSO-PWSUYJOCSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(N[C@H]1COC[C@@H]1C1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593002030 1167684801 /nfs/dbraw/zinc/68/48/01/1167684801.db2.gz VWHXBHRXIWMOSO-PWSUYJOCSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(NC[C@@H](O)C1CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593012439 1167686691 /nfs/dbraw/zinc/68/66/91/1167686691.db2.gz DXFLPLLOBWTWGO-LLVKDONJSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NC[C@@H](O)C1CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593012439 1167686694 /nfs/dbraw/zinc/68/66/94/1167686694.db2.gz DXFLPLLOBWTWGO-LLVKDONJSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NC[C@@H]1CC[C@@H](O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593030819 1167690485 /nfs/dbraw/zinc/69/04/85/1167690485.db2.gz XIMBJMSECSOXAJ-RKDXNWHRSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NC[C@@H]1CC[C@@H](O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593030819 1167690489 /nfs/dbraw/zinc/69/04/89/1167690489.db2.gz XIMBJMSECSOXAJ-RKDXNWHRSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NC[C@H]1CC[C@H](O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593030818 1167691230 /nfs/dbraw/zinc/69/12/30/1167691230.db2.gz XIMBJMSECSOXAJ-IUCAKERBSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NC[C@H]1CC[C@H](O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593030818 1167691235 /nfs/dbraw/zinc/69/12/35/1167691235.db2.gz XIMBJMSECSOXAJ-IUCAKERBSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NCC[C@H](O)C(F)F)c1ccsc1-c1nnn[n-]1 ZINC001593056390 1167695079 /nfs/dbraw/zinc/69/50/79/1167695079.db2.gz FREKSJQHNAEHMF-LURJTMIESA-N -1 1 303.294 0.674 20 0 DCADMM O=C(NCC[C@H](O)C(F)F)c1ccsc1-c1nn[n-]n1 ZINC001593056390 1167695080 /nfs/dbraw/zinc/69/50/80/1167695080.db2.gz FREKSJQHNAEHMF-LURJTMIESA-N -1 1 303.294 0.674 20 0 DCADMM O=C(NCCCC1CC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593066564 1167696953 /nfs/dbraw/zinc/69/69/53/1167696953.db2.gz GTHFNNAWRAMHFR-UHFFFAOYSA-N -1 1 315.337 0.507 20 0 DCADMM O=C(NCCCC1CC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593066564 1167696958 /nfs/dbraw/zinc/69/69/58/1167696958.db2.gz GTHFNNAWRAMHFR-UHFFFAOYSA-N -1 1 315.337 0.507 20 0 DCADMM O=C(NCC[C@@]1(O)CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593060040 1167697657 /nfs/dbraw/zinc/69/76/57/1167697657.db2.gz YIOYHAPVIFLYKZ-GFCCVEGCSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(NCC[C@@]1(O)CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593060040 1167697662 /nfs/dbraw/zinc/69/76/62/1167697662.db2.gz YIOYHAPVIFLYKZ-GFCCVEGCSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(NCCNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001593090612 1167703321 /nfs/dbraw/zinc/70/33/21/1167703321.db2.gz MKZUIACYKGVADF-UHFFFAOYSA-N -1 1 316.369 0.187 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)C1(F)CCCC1 ZINC001593091956 1167705965 /nfs/dbraw/zinc/70/59/65/1167705965.db2.gz RIVVJVVOQJAQJJ-UHFFFAOYSA-N -1 1 320.332 0.467 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)C1(F)CCCC1 ZINC001593091956 1167705968 /nfs/dbraw/zinc/70/59/68/1167705968.db2.gz RIVVJVVOQJAQJJ-UHFFFAOYSA-N -1 1 320.332 0.467 20 0 DCADMM O=C(NCCOCCF)NCc1ccc(-c2nn[n-]n2)s1 ZINC001593099334 1167707805 /nfs/dbraw/zinc/70/78/05/1167707805.db2.gz PFOWQZCSYPJEKV-UHFFFAOYSA-N -1 1 314.346 0.714 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@H]1CCCC12CC2 ZINC001593110123 1167710722 /nfs/dbraw/zinc/71/07/22/1167710722.db2.gz SOGPBWBXZHUQLE-SECBINFHSA-N -1 1 302.342 0.155 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1CCOC1 ZINC001593137574 1167720923 /nfs/dbraw/zinc/72/09/23/1167720923.db2.gz IUASWZREDMTPQJ-QMMMGPOBSA-N -1 1 308.367 0.764 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccc2ncnn21 ZINC001593146212 1167724979 /nfs/dbraw/zinc/72/49/79/1167724979.db2.gz JMFJLCUUHGBBSK-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccc2ncnn21 ZINC001593146212 1167724985 /nfs/dbraw/zinc/72/49/85/1167724985.db2.gz JMFJLCUUHGBBSK-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCOCC1 ZINC001593146580 1167725050 /nfs/dbraw/zinc/72/50/50/1167725050.db2.gz VCGQBBFUDUDZGW-LLVKDONJSA-N -1 1 302.338 0.695 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCOCC1 ZINC001593146580 1167725058 /nfs/dbraw/zinc/72/50/58/1167725058.db2.gz VCGQBBFUDUDZGW-LLVKDONJSA-N -1 1 302.338 0.695 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1C[C@]12CCOC2 ZINC001593149628 1167726091 /nfs/dbraw/zinc/72/60/91/1167726091.db2.gz QWEWZISNACDGOP-MADCSZMMSA-N -1 1 306.351 0.366 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1C[C@]12CCOC2 ZINC001593149628 1167726098 /nfs/dbraw/zinc/72/60/98/1167726098.db2.gz QWEWZISNACDGOP-MADCSZMMSA-N -1 1 306.351 0.366 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc2nccnc2c1 ZINC001593199568 1167734175 /nfs/dbraw/zinc/73/41/75/1167734175.db2.gz MQYFKNPJZGLSIE-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc2nccnc2c1 ZINC001593199568 1167734179 /nfs/dbraw/zinc/73/41/79/1167734179.db2.gz MQYFKNPJZGLSIE-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1C[C@H](O)C2(CC2)C1 ZINC001593244163 1167744886 /nfs/dbraw/zinc/74/48/86/1167744886.db2.gz TZYOWPLDUJUOBG-VIFPVBQESA-N -1 1 301.310 0.250 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1C[C@H](O)C2(CC2)C1 ZINC001593244163 1167744893 /nfs/dbraw/zinc/74/48/93/1167744893.db2.gz TZYOWPLDUJUOBG-VIFPVBQESA-N -1 1 301.310 0.250 20 0 DCADMM O=C(Nc1cnc2c(c1)COCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593258449 1167745863 /nfs/dbraw/zinc/74/58/63/1167745863.db2.gz HTHOAZPPFGEKBQ-UHFFFAOYSA-N -1 1 323.316 0.982 20 0 DCADMM O=C(Nc1cnc2c(c1)COCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593258449 1167745871 /nfs/dbraw/zinc/74/58/71/1167745871.db2.gz HTHOAZPPFGEKBQ-UHFFFAOYSA-N -1 1 323.316 0.982 20 0 DCADMM O=C(Nc1cnnc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593260655 1167746668 /nfs/dbraw/zinc/74/66/68/1167746668.db2.gz HQHZRIICFGDQCU-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1cnnc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593260655 1167746675 /nfs/dbraw/zinc/74/66/75/1167746675.db2.gz HQHZRIICFGDQCU-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC(=O)N(C2CC2)C1 ZINC001593254358 1167747775 /nfs/dbraw/zinc/74/77/75/1167747775.db2.gz VEJRFOUBDAOZAL-UHFFFAOYSA-N -1 1 314.309 0.058 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC(=O)N(C2CC2)C1 ZINC001593254358 1167747783 /nfs/dbraw/zinc/74/77/83/1167747783.db2.gz VEJRFOUBDAOZAL-UHFFFAOYSA-N -1 1 314.309 0.058 20 0 DCADMM O=C(OCc1noc(C2CC2)n1)c1cccc(-c2nnn[n-]2)n1 ZINC001593306388 1167767045 /nfs/dbraw/zinc/76/70/45/1167767045.db2.gz UUHKPSLUTIFEQX-UHFFFAOYSA-N -1 1 313.277 0.879 20 0 DCADMM O=C(OCc1noc(C2CC2)n1)c1cccc(-c2nn[n-]n2)n1 ZINC001593306388 1167767054 /nfs/dbraw/zinc/76/70/54/1167767054.db2.gz UUHKPSLUTIFEQX-UHFFFAOYSA-N -1 1 313.277 0.879 20 0 DCADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCC[C@H]1CO ZINC001593315170 1167768742 /nfs/dbraw/zinc/76/87/42/1167768742.db2.gz GUTWMQLKZHFFME-VIFPVBQESA-N -1 1 312.333 0.945 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H]2OCCC[C@H]2C1 ZINC001593336785 1167778539 /nfs/dbraw/zinc/77/85/39/1167778539.db2.gz BBMQUUDHUKPXDA-WCQYABFASA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H]2OCCC[C@H]2C1 ZINC001593336785 1167778542 /nfs/dbraw/zinc/77/85/42/1167778542.db2.gz BBMQUUDHUKPXDA-WCQYABFASA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1C[C@@H]2CSC[C@@H]2C1 ZINC001593358278 1167783873 /nfs/dbraw/zinc/78/38/73/1167783873.db2.gz FTIPFABMSYOFMG-AOOOYVTPSA-N -1 1 302.363 0.697 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1C[C@@H]2CSC[C@@H]2C1 ZINC001593358278 1167783881 /nfs/dbraw/zinc/78/38/81/1167783881.db2.gz FTIPFABMSYOFMG-AOOOYVTPSA-N -1 1 302.363 0.697 20 0 DCADMM O=C(c1cnccn1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001593364615 1167788599 /nfs/dbraw/zinc/78/85/99/1167788599.db2.gz GFPXUMFOWGWALI-UHFFFAOYSA-N -1 1 308.305 0.645 20 0 DCADMM O=C1CC[C@@H](Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)O1 ZINC001593390497 1167801415 /nfs/dbraw/zinc/80/14/15/1167801415.db2.gz JTCGLBCAYKWRLD-VIFPVBQESA-N -1 1 311.301 0.887 20 0 DCADMM O=C1CCN(c2ccnc(-c3nn[n-]n3)n2)CCCCCCN1 ZINC001593394410 1167806013 /nfs/dbraw/zinc/80/60/13/1167806013.db2.gz OVUBEJPSPLMXNT-UHFFFAOYSA-N -1 1 316.369 0.543 20 0 DCADMM O=S(=O)(C[C@@H]1CCOC1)Oc1cccnc1-c1nn[n-]n1 ZINC001593418081 1167832878 /nfs/dbraw/zinc/83/28/78/1167832878.db2.gz IPBRGGMYBWLLEL-MRVPVSSYSA-N -1 1 311.323 0.007 20 0 DCADMM O=Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)[nH]1 ZINC001593415465 1167834619 /nfs/dbraw/zinc/83/46/19/1167834619.db2.gz IRTIKKLMYDGBKI-UHFFFAOYSA-N -1 1 302.319 0.999 20 0 DCADMM O=S(=O)(NCCC(F)F)c1ccsc1-c1nn[n-]n1 ZINC001593437721 1167842444 /nfs/dbraw/zinc/84/24/44/1167842444.db2.gz BQMZTHJRRPJRKP-UHFFFAOYSA-N -1 1 309.323 0.862 20 0 DCADMM O=S1(=O)CCC[C@@H](Sc2cccc(-c3nnn[n-]3)n2)C1 ZINC001593463098 1167855968 /nfs/dbraw/zinc/85/59/68/1167855968.db2.gz LTQSLZAQKHKJJH-MRVPVSSYSA-N -1 1 311.392 0.931 20 0 DCADMM O=S1(=O)CCC[C@@H](Sc2cccc(-c3nn[n-]n3)n2)C1 ZINC001593463098 1167855980 /nfs/dbraw/zinc/85/59/80/1167855980.db2.gz LTQSLZAQKHKJJH-MRVPVSSYSA-N -1 1 311.392 0.931 20 0 DCADMM O=c1[nH]c(CNc2ncncc2-c2nn[n-]n2)nc2ccccc21 ZINC001593488040 1167871057 /nfs/dbraw/zinc/87/10/57/1167871057.db2.gz FBVXWFBHNIOUIA-UHFFFAOYSA-N -1 1 321.304 0.918 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC[C@H]1CCOC1)CCC2 ZINC001593492169 1167877663 /nfs/dbraw/zinc/87/76/63/1167877663.db2.gz JPYXKWQWCJLLJU-JTQLQIEISA-N -1 1 301.350 0.944 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1cccc2c1OCCO2 ZINC001593496796 1167879884 /nfs/dbraw/zinc/87/98/84/1167879884.db2.gz YDPLNWBIEHEHOF-UHFFFAOYSA-N -1 1 311.301 0.848 20 0 DCADMM OC1(C2(CNc3ccnc(-c4nnn[n-]4)c3)CC2)CCOCC1 ZINC001593511374 1167888106 /nfs/dbraw/zinc/88/81/06/1167888106.db2.gz WNGSJKRGUGCZCS-UHFFFAOYSA-N -1 1 316.365 0.417 20 0 DCADMM OC1(C2(CNc3ccnc(-c4nn[n-]n4)c3)CC2)CCOCC1 ZINC001593511374 1167888115 /nfs/dbraw/zinc/88/81/15/1167888115.db2.gz WNGSJKRGUGCZCS-UHFFFAOYSA-N -1 1 316.365 0.417 20 0 DCADMM O[C@H](Cc1cn(Cc2ccnc(-c3nnn[n-]3)c2)nn1)C1CC1 ZINC001593512018 1167893060 /nfs/dbraw/zinc/89/30/60/1167893060.db2.gz PBNRXRGWKRUOMP-CYBMUJFWSA-N -1 1 312.337 0.215 20 0 DCADMM O[C@H](Cc1cn(Cc2ccnc(-c3nn[n-]n3)c2)nn1)C1CC1 ZINC001593512018 1167893068 /nfs/dbraw/zinc/89/30/68/1167893068.db2.gz PBNRXRGWKRUOMP-CYBMUJFWSA-N -1 1 312.337 0.215 20 0 DCADMM O[C@@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001593536598 1167915708 /nfs/dbraw/zinc/91/57/08/1167915708.db2.gz QTAXBUDDCICDHN-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001593536598 1167915718 /nfs/dbraw/zinc/91/57/18/1167915718.db2.gz QTAXBUDDCICDHN-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM c1cc(CO[C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)ccn1 ZINC001593557339 1167938863 /nfs/dbraw/zinc/93/88/63/1167938863.db2.gz QBAYPXGIGQYGNH-GFCCVEGCSA-N -1 1 324.348 0.847 20 0 DCADMM c1cc(CO[C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)ccn1 ZINC001593557339 1167938871 /nfs/dbraw/zinc/93/88/71/1167938871.db2.gz QBAYPXGIGQYGNH-GFCCVEGCSA-N -1 1 324.348 0.847 20 0 DCADMM c1ccc(N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)nc1 ZINC001593576601 1167945333 /nfs/dbraw/zinc/94/53/33/1167945333.db2.gz DSQUUVLWXOMPDZ-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM c1ccc(N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001593576601 1167945347 /nfs/dbraw/zinc/94/53/47/1167945347.db2.gz DSQUUVLWXOMPDZ-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM c1cnc(N2CCC(Nc3cc(-c4nnn[n-]4)ncn3)CC2)nc1 ZINC001593583813 1167949702 /nfs/dbraw/zinc/94/97/02/1167949702.db2.gz PCMSSRDUBDDXQS-UHFFFAOYSA-N -1 1 324.352 0.528 20 0 DCADMM c1cnc(N2CCC(Nc3cc(-c4nn[n-]n4)ncn3)CC2)nc1 ZINC001593583813 1167949705 /nfs/dbraw/zinc/94/97/05/1167949705.db2.gz PCMSSRDUBDDXQS-UHFFFAOYSA-N -1 1 324.352 0.528 20 0 DCADMM c1sc(CNCc2cn(C3CCC3)nn2)nc1-c1nnn[n-]1 ZINC001593595208 1167956078 /nfs/dbraw/zinc/95/60/78/1167956078.db2.gz FAINHESDVNQYQO-UHFFFAOYSA-N -1 1 317.382 0.930 20 0 DCADMM c1sc(CNCc2cn(C3CCC3)nn2)nc1-c1nn[n-]n1 ZINC001593595208 1167956085 /nfs/dbraw/zinc/95/60/85/1167956085.db2.gz FAINHESDVNQYQO-UHFFFAOYSA-N -1 1 317.382 0.930 20 0 DCADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1nc(CC2CC2)no1 ZINC001593593886 1167956245 /nfs/dbraw/zinc/95/62/45/1167956245.db2.gz WHZOIIHUSGSZSJ-UHFFFAOYSA-N -1 1 311.309 0.700 20 0 DCADMM c1ncc(N2CCO[C@H]([C@H]3CCCO3)C2)nc1-c1nnn[n-]1 ZINC001593593956 1167957269 /nfs/dbraw/zinc/95/72/69/1167957269.db2.gz XQPBHERCYYXGSH-MNOVXSKESA-N -1 1 303.326 0.041 20 0 DCADMM c1ncc(N2CCO[C@H]([C@H]3CCCO3)C2)nc1-c1nn[n-]n1 ZINC001593593956 1167957274 /nfs/dbraw/zinc/95/72/74/1167957274.db2.gz XQPBHERCYYXGSH-MNOVXSKESA-N -1 1 303.326 0.041 20 0 DCADMM COC[C@@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)c1nn[n-]n1 ZINC001595887610 1167979889 /nfs/dbraw/zinc/97/98/89/1167979889.db2.gz BKAYWPADTYBBDS-GFCCVEGCSA-N -1 1 318.312 0.867 20 0 DCADMM CC(=CC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1)c1cnccn1 ZINC001595948649 1167985672 /nfs/dbraw/zinc/98/56/72/1167985672.db2.gz SCFCSVNKYKZLFR-VNKGSWCUSA-N -1 1 313.365 0.874 20 0 DCADMM CCOCCOCCNC(=O)c1cnc(SC)[n-]c1=O ZINC001597322867 1168005675 /nfs/dbraw/zinc/00/56/75/1168005675.db2.gz KOZQHZQMFXVLBH-UHFFFAOYSA-N -1 1 301.368 0.687 20 0 DCADMM C=CC(=O)N(CC)CC(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1 ZINC001597554124 1168008795 /nfs/dbraw/zinc/00/87/95/1168008795.db2.gz JOBCKQMBOUCYMH-UHFFFAOYSA-N -1 1 322.365 0.232 20 0 DCADMM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc2[nH]cnc2cc1F ZINC001598691671 1168026146 /nfs/dbraw/zinc/02/61/46/1168026146.db2.gz CRKXMCWHUAVYSO-SNVBAGLBSA-N -1 1 309.253 0.448 20 0 DCADMM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)NCCc1nc[nH]n1 ZINC001600000651 1168083659 /nfs/dbraw/zinc/08/36/59/1168083659.db2.gz KWRYRMFWRCEBJF-UHFFFAOYSA-N -1 1 323.334 0.170 20 0 DCADMM Cc1cc([C@H]([NH2+][C@@H]2CCN(CC(=O)[O-])C2=O)C(=O)[O-])ccc1F ZINC001600146456 1168126262 /nfs/dbraw/zinc/12/62/62/1168126262.db2.gz HTIUCEBOJUATRY-YPMHNXCESA-N -1 1 324.308 0.535 20 0 DCADMM Cc1cc(C[C@@H](C)NC(=O)Nc2cc(C(=O)[O-])n(C)n2)n[nH]1 ZINC001600189477 1168134144 /nfs/dbraw/zinc/13/41/44/1168134144.db2.gz OWZMOAFWHGPELG-SSDOTTSWSA-N -1 1 306.326 0.903 20 0 DCADMM Cc1cc(N2CC[C@@H](NCc3c[nH]c(C(=O)[O-])c3)C2=O)n(C)n1 ZINC001600238908 1168144392 /nfs/dbraw/zinc/14/43/92/1168144392.db2.gz KGABRBCHWSTXTN-LLVKDONJSA-N -1 1 317.349 0.650 20 0 DCADMM Cc1cccc(OCCNC(=O)CN2CC[C@](O)(C(=O)[O-])C2)c1 ZINC001600545937 1168198384 /nfs/dbraw/zinc/19/83/84/1168198384.db2.gz FWWBFDYHZWKYSX-MRXNPFEDSA-N -1 1 322.361 0.011 20 0 DCADMM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC001600641325 1168224965 /nfs/dbraw/zinc/22/49/65/1168224965.db2.gz XPCMEOBFXAJYJS-GFCCVEGCSA-N -1 1 323.393 0.581 20 0 DCADMM Cc1csc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001600660073 1168234780 /nfs/dbraw/zinc/23/47/80/1168234780.db2.gz CNAWCNCIEOGALP-ZRUFSTJUSA-N -1 1 309.391 0.909 20 0 DCADMM Cc1nc(CNC2(CC(=O)[O-])CCS(=O)(=O)CC2)cs1 ZINC001600702109 1168258640 /nfs/dbraw/zinc/25/86/40/1168258640.db2.gz JCKYLCIPTUDYEY-UHFFFAOYSA-N -1 1 318.420 0.963 20 0 DCADMM Cc1ncsc1CCN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001600759657 1168282549 /nfs/dbraw/zinc/28/25/49/1168282549.db2.gz SYFUBCYIDZTNTC-NEPJUHHUSA-N -1 1 323.418 0.763 20 0 DCADMM Cc1nn(C)cc1CN1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001600778740 1168291993 /nfs/dbraw/zinc/29/19/93/1168291993.db2.gz OEFJHOXQYRXKDI-KGLIPLIRSA-N -1 1 320.393 0.530 20 0 DCADMM Cc1nonc1CNC1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600818430 1168474856 /nfs/dbraw/zinc/47/48/56/1168474856.db2.gz GJIXIQHJGVRKIP-WDEREUQCSA-N -1 1 308.338 0.179 20 0 DCADMM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001600824245 1168476882 /nfs/dbraw/zinc/47/68/82/1168476882.db2.gz IWDZHBATHVGLKT-CHWSQXEVSA-N -1 1 322.361 0.957 20 0 DCADMM Cn1c(CN2CCC[C@@H](N3CCNC3=O)C2)ccc1C(=O)[O-] 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OGQJNFLMPCSSOS-SSDOTTSWSA-N -1 1 317.396 0.383 20 0 DCADMM COc1cc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)ccn1 ZINC001605222999 1169878087 /nfs/dbraw/zinc/87/80/87/1169878087.db2.gz IMZGPCCVVLQYLR-UHFFFAOYSA-N -1 1 324.344 0.969 20 0 DCADMM COc1nn(C)cc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605352878 1169900713 /nfs/dbraw/zinc/90/07/13/1169900713.db2.gz WJSKGHACODLUBE-UHFFFAOYSA-N -1 1 303.282 0.132 20 0 DCADMM COc1nn(C)cc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605352878 1169900718 /nfs/dbraw/zinc/90/07/18/1169900718.db2.gz WJSKGHACODLUBE-UHFFFAOYSA-N -1 1 303.282 0.132 20 0 DCADMM CSC[C@@H](CCO)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605377486 1169908279 /nfs/dbraw/zinc/90/82/79/1169908279.db2.gz QXRNCBLPIHJTIQ-MRVPVSSYSA-N -1 1 308.367 0.106 20 0 DCADMM CSC[C@@H](CCO)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605377486 1169908286 /nfs/dbraw/zinc/90/82/86/1169908286.db2.gz QXRNCBLPIHJTIQ-MRVPVSSYSA-N -1 1 308.367 0.106 20 0 DCADMM CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)c1[nH]nnc1C ZINC001605448201 1169925178 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Cc1cc(-c2nn[n-]n2)nc(N2CC[S@](=O)[C@H](C)[C@@H]2C)n1 ZINC001605564395 1169960471 /nfs/dbraw/zinc/96/04/71/1169960471.db2.gz WTPWGSRWLLDGKI-JYFUKTADSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2CC(N)=O)n1 ZINC001605561186 1169960534 /nfs/dbraw/zinc/96/05/34/1169960534.db2.gz UEXJLDYWNRWMTN-VIFPVBQESA-N -1 1 302.342 0.199 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2CC(N)=O)n1 ZINC001605561186 1169960537 /nfs/dbraw/zinc/96/05/37/1169960537.db2.gz UEXJLDYWNRWMTN-VIFPVBQESA-N -1 1 302.342 0.199 20 0 DCADMM Cc1cc(=O)n(C)cc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605586316 1169965819 /nfs/dbraw/zinc/96/58/19/1169965819.db2.gz KSXSDYUVXPVHNL-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM Cc1cc(=O)n(C)cc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605586316 1169965823 /nfs/dbraw/zinc/96/58/23/1169965823.db2.gz KSXSDYUVXPVHNL-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM Cc1cc(C(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)c(C)n1C ZINC001605588185 1169966657 /nfs/dbraw/zinc/96/66/57/1169966657.db2.gz BYJLZZFQDOHODJ-UHFFFAOYSA-N -1 1 312.333 0.867 20 0 DCADMM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccn(-c2ccncc2)n1 ZINC001605622113 1169974904 /nfs/dbraw/zinc/97/49/04/1169974904.db2.gz PSSLNADKJVVWOL-CYBMUJFWSA-N -1 1 318.333 0.829 20 0 DCADMM CCOC[C@H](C(=O)[O-])N(C)C[C@@H](O)CC1(O)CCCCC1 ZINC001605623550 1169975433 /nfs/dbraw/zinc/97/54/33/1169975433.db2.gz DKPCIGHWYCQMCU-QWHCGFSZSA-N -1 1 303.399 0.854 20 0 DCADMM Cc1cc(CCNC(=O)c2ccsc2-c2nnn[n-]2)nn1C ZINC001605655812 1169982058 /nfs/dbraw/zinc/98/20/58/1169982058.db2.gz IJZXDRSISNLXKO-UHFFFAOYSA-N -1 1 317.378 0.943 20 0 DCADMM Cc1cc(CCNC(=O)c2ccsc2-c2nn[n-]n2)nn1C ZINC001605655812 1169982065 /nfs/dbraw/zinc/98/20/65/1169982065.db2.gz IJZXDRSISNLXKO-UHFFFAOYSA-N -1 1 317.378 0.943 20 0 DCADMM Cc1cc(Cn2c(=O)c(-c3nn[n-]n3)c(C)n(C)c2=O)cs1 ZINC001605670539 1169984279 /nfs/dbraw/zinc/98/42/79/1169984279.db2.gz CKRSEONDNMPVAX-UHFFFAOYSA-N -1 1 318.362 0.454 20 0 DCADMM Cc1cc(F)ccc1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001605682471 1169985455 /nfs/dbraw/zinc/98/54/55/1169985455.db2.gz OEVPZFKHSRYMDX-UHFFFAOYSA-N -1 1 316.300 0.336 20 0 DCADMM Cc1cc2cc[nH]c2cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001605756611 1169997638 /nfs/dbraw/zinc/99/76/38/1169997638.db2.gz IBDUIEASHXSGLL-UHFFFAOYSA-N -1 1 323.320 0.887 20 0 DCADMM CCc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc(=O)[nH]1 ZINC001605784974 1170000489 /nfs/dbraw/zinc/00/04/89/1170000489.db2.gz HNGZMHJCEKPJSK-LLVKDONJSA-N -1 1 321.377 0.971 20 0 DCADMM Cc1ccc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cn1 ZINC001605858701 1170015009 /nfs/dbraw/zinc/01/50/09/1170015009.db2.gz UENBHAGNZRYRJO-SECBINFHSA-N -1 1 314.309 0.466 20 0 DCADMM Cc1ccc(N2CCC3(COC(=O)N3)CC2)nc1-c1nnn[n-]1 ZINC001605865050 1170016699 /nfs/dbraw/zinc/01/66/99/1170016699.db2.gz QDXKXUIQQRWRLK-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM Cc1ccc(N2CCC3(COC(=O)N3)CC2)nc1-c1nn[n-]n1 ZINC001605865050 1170016701 /nfs/dbraw/zinc/01/67/01/1170016701.db2.gz QDXKXUIQQRWRLK-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM Cc1onc(CC(=O)Nc2ccc(C)[nH]c2=O)c1-c1nnn[n-]1 ZINC001605870098 1170017804 /nfs/dbraw/zinc/01/78/04/1170017804.db2.gz YNMBFJKDWICGFU-UHFFFAOYSA-N -1 1 315.293 0.753 20 0 DCADMM Cc1onc(CC(=O)Nc2ccc(C)[nH]c2=O)c1-c1nn[n-]n1 ZINC001605870098 1170017808 /nfs/dbraw/zinc/01/78/08/1170017808.db2.gz YNMBFJKDWICGFU-UHFFFAOYSA-N -1 1 315.293 0.753 20 0 DCADMM CCn1nc(C)c(CC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1C ZINC001605937066 1170029515 /nfs/dbraw/zinc/02/95/15/1170029515.db2.gz NNLMVFBVNDXPDQ-CYBMUJFWSA-N -1 1 319.365 0.598 20 0 DCADMM Cc1ccn(C[C@@H]2C[C@H]3COC[C@H]3O2)c(=O)c1-c1nn[n-]n1 ZINC001605950559 1170032574 /nfs/dbraw/zinc/03/25/74/1170032574.db2.gz YMCSBKPFKYGFMS-GARJFASQSA-N -1 1 303.322 0.141 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(CCOCCO)C(C)C)n1 ZINC001606019550 1170052883 /nfs/dbraw/zinc/05/28/83/1170052883.db2.gz IINSCGRFXHJGFK-UHFFFAOYSA-N -1 1 307.358 0.189 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(CCOCCO)C(C)C)n1 ZINC001606019550 1170052884 /nfs/dbraw/zinc/05/28/84/1170052884.db2.gz IINSCGRFXHJGFK-UHFFFAOYSA-N -1 1 307.358 0.189 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(Cc2noc3c2COCC3)c1C ZINC001606024240 1170054637 /nfs/dbraw/zinc/05/46/37/1170054637.db2.gz YVGIDTOIZBHGNN-UHFFFAOYSA-N -1 1 301.310 0.789 20 0 DCADMM Cc1nc(-c2nn[n-]n2)n(Cc2noc3c2COCC3)c1C ZINC001606024240 1170054646 /nfs/dbraw/zinc/05/46/46/1170054646.db2.gz YVGIDTOIZBHGNN-UHFFFAOYSA-N -1 1 301.310 0.789 20 0 DCADMM CN(C)Cc1ccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])cn1 ZINC001606034039 1170060068 /nfs/dbraw/zinc/06/00/68/1170060068.db2.gz QQCVMWRGRFYQGF-ZIAGYGMSSA-N -1 1 321.377 0.895 20 0 DCADMM Cc1ncc(S(=O)(=O)Oc2cccnc2-c2nn[nH]n2)n1C ZINC001606091107 1170074676 /nfs/dbraw/zinc/07/46/76/1170074676.db2.gz CSMLKKPEBJQGSB-UHFFFAOYSA-N -1 1 321.322 0.071 20 0 DCADMM Cc1ncc(S(=O)(=O)Oc2cccnc2-c2nn[n-]n2)n1C ZINC001606091107 1170074682 /nfs/dbraw/zinc/07/46/82/1170074682.db2.gz CSMLKKPEBJQGSB-UHFFFAOYSA-N -1 1 321.322 0.071 20 0 DCADMM Cc1nn(CCn2cc(Cl)cn2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114526 1170079280 /nfs/dbraw/zinc/07/92/80/1170079280.db2.gz TYVAGKDJZMEQMJ-UHFFFAOYSA-N -1 1 320.744 0.590 20 0 DCADMM Cc1nn(C)cc1[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606114143 1170079736 /nfs/dbraw/zinc/07/97/36/1170079736.db2.gz SGBDYQHGRASPAP-QMMMGPOBSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1nn(C)cc1[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606114143 1170079744 /nfs/dbraw/zinc/07/97/44/1170079744.db2.gz SGBDYQHGRASPAP-QMMMGPOBSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1nnc(N(C)C(=O)Cc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001606121541 1170082686 /nfs/dbraw/zinc/08/26/86/1170082686.db2.gz XMXKGGFRDWFDLL-UHFFFAOYSA-N -1 1 316.350 0.627 20 0 DCADMM Cc1nnc(N(C)C(=O)Cc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001606121541 1170082693 /nfs/dbraw/zinc/08/26/93/1170082693.db2.gz XMXKGGFRDWFDLL-UHFFFAOYSA-N -1 1 316.350 0.627 20 0 DCADMM Cc1nsc(NC[C@H](C)c2nncn2C)c1-c1nn[n-]n1 ZINC001606157219 1170096557 /nfs/dbraw/zinc/09/65/57/1170096557.db2.gz YXSJXMAGKLBULH-LURJTMIESA-N -1 1 305.371 0.976 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC001606166342 1170096858 /nfs/dbraw/zinc/09/68/58/1170096858.db2.gz BIKVLFBCIZGJPM-HZGVNTEJSA-N -1 1 314.309 0.795 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC001606166342 1170096861 /nfs/dbraw/zinc/09/68/61/1170096861.db2.gz BIKVLFBCIZGJPM-HZGVNTEJSA-N -1 1 314.309 0.795 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)CCc1ncon1 ZINC001606164705 1170097295 /nfs/dbraw/zinc/09/72/95/1170097295.db2.gz CXKINRVSPYWIBN-UHFFFAOYSA-N -1 1 303.282 0.466 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)CCc1ncon1 ZINC001606164705 1170097302 /nfs/dbraw/zinc/09/73/02/1170097302.db2.gz CXKINRVSPYWIBN-UHFFFAOYSA-N -1 1 303.282 0.466 20 0 DCADMM Cc1nsc2ncn(Cc3ccc(-c4nnn[n-]4)o3)c(=O)c12 ZINC001606163893 1170097752 /nfs/dbraw/zinc/09/77/52/1170097752.db2.gz VDPPVIHSEANOMC-UHFFFAOYSA-N -1 1 315.318 0.983 20 0 DCADMM Cc1nsc2ncn(Cc3ccc(-c4nn[n-]n4)o3)c(=O)c12 ZINC001606163893 1170097757 /nfs/dbraw/zinc/09/77/57/1170097757.db2.gz VDPPVIHSEANOMC-UHFFFAOYSA-N -1 1 315.318 0.983 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)[C@@H](O)C(F)(F)F ZINC001606167274 1170099555 /nfs/dbraw/zinc/09/95/55/1170099555.db2.gz KKNSHKJICVNMAR-RNHFCUEFSA-N -1 1 319.243 0.810 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)[C@@H](O)C(F)(F)F ZINC001606167274 1170099559 /nfs/dbraw/zinc/09/95/59/1170099559.db2.gz KKNSHKJICVNMAR-RNHFCUEFSA-N -1 1 319.243 0.810 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)c1ncnn1C ZINC001606166945 1170100154 /nfs/dbraw/zinc/10/01/54/1170100154.db2.gz IIXWJPLVPHRCLB-LURJTMIESA-N -1 1 302.298 0.388 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)c1ncnn1C ZINC001606166945 1170100157 /nfs/dbraw/zinc/10/01/57/1170100157.db2.gz IIXWJPLVPHRCLB-LURJTMIESA-N -1 1 302.298 0.388 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](CO)C[C@@H]1CCCO1 ZINC001606167635 1170100801 /nfs/dbraw/zinc/10/08/01/1170100801.db2.gz RXNAQHUPAPVFFL-ZJUUUORDSA-N -1 1 321.337 0.428 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](CO)C[C@@H]1CCCO1 ZINC001606167635 1170100808 /nfs/dbraw/zinc/10/08/08/1170100808.db2.gz RXNAQHUPAPVFFL-ZJUUUORDSA-N -1 1 321.337 0.428 20 0 DCADMM Cn1cc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cn1 ZINC001606174310 1170102092 /nfs/dbraw/zinc/10/20/92/1170102092.db2.gz FZHOCZRRVAHJCB-KBPBESRZSA-N -1 1 320.393 0.564 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)[C@@H]1CCNC(=O)C1 ZINC001606169851 1170102585 /nfs/dbraw/zinc/10/25/85/1170102585.db2.gz UTRSAPSYAYOLDM-VXNVDRBHSA-N -1 1 319.321 0.840 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)[C@@H]1CCNC(=O)C1 ZINC001606169851 1170102589 /nfs/dbraw/zinc/10/25/89/1170102589.db2.gz UTRSAPSYAYOLDM-VXNVDRBHSA-N -1 1 319.321 0.840 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C)c1-c1nnn[n-]1 ZINC001606178200 1170104276 /nfs/dbraw/zinc/10/42/76/1170104276.db2.gz AXDWYHHGXVAMAQ-XHNCKOQMSA-N -1 1 320.353 0.730 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC001606178200 1170104280 /nfs/dbraw/zinc/10/42/80/1170104280.db2.gz AXDWYHHGXVAMAQ-XHNCKOQMSA-N -1 1 320.353 0.730 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](O)C(C)(C)C2)c1-c1nnn[n-]1 ZINC001606178800 1170104328 /nfs/dbraw/zinc/10/43/28/1170104328.db2.gz UKQUPHRVURFUGZ-SNVBAGLBSA-N -1 1 320.353 0.325 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](O)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001606178800 1170104336 /nfs/dbraw/zinc/10/43/36/1170104336.db2.gz UKQUPHRVURFUGZ-SNVBAGLBSA-N -1 1 320.353 0.325 20 0 DCADMM Cn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1CC=CCC1 ZINC001606203617 1170111538 /nfs/dbraw/zinc/11/15/38/1170111538.db2.gz WDVZRHZTBAFSMR-UHFFFAOYSA-N -1 1 310.325 0.219 20 0 DCADMM Cn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1CC=CCC1 ZINC001606203617 1170111539 /nfs/dbraw/zinc/11/15/39/1170111539.db2.gz WDVZRHZTBAFSMR-UHFFFAOYSA-N -1 1 310.325 0.219 20 0 DCADMM Cn1c2ccccc2cc(Cn2cc(-c3nn[n-]n3)nn2)c1=O ZINC001606207092 1170112340 /nfs/dbraw/zinc/11/23/40/1170112340.db2.gz MBEXNVORSQGTDK-UHFFFAOYSA-N -1 1 308.305 0.358 20 0 DCADMM 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CN(c1nnc(Cc2nnn[n-]2)n1C[C@H]1CCCCO1)C1CC1 ZINC001772371457 1190669307 /nfs/dbraw/zinc/66/93/07/1190669307.db2.gz GZNLRJZITZXVHX-LLVKDONJSA-N -1 1 318.385 0.550 20 0 DCADMM CN(c1nnc(Cc2nn[n-]n2)n1C[C@H]1CCCCO1)C1CC1 ZINC001772371457 1190669309 /nfs/dbraw/zinc/66/93/09/1190669309.db2.gz GZNLRJZITZXVHX-LLVKDONJSA-N -1 1 318.385 0.550 20 0 DCADMM CCN(CC1CC1)c1nnc(-c2nnn[n-]2)n1C[C@@H]1CCOC1 ZINC001772385904 1190671114 /nfs/dbraw/zinc/67/11/14/1190671114.db2.gz KKRQDCZIHFRTKG-NSHDSACASA-N -1 1 318.385 0.731 20 0 DCADMM CCN(CC1CC1)c1nnc(-c2nn[n-]n2)n1C[C@@H]1CCOC1 ZINC001772385904 1190671120 /nfs/dbraw/zinc/67/11/20/1190671120.db2.gz KKRQDCZIHFRTKG-NSHDSACASA-N -1 1 318.385 0.731 20 0 DCADMM CN(C[C@H]1CCOC1)c1nnc(Cc2nnn[n-]2)n1CC1CC1 ZINC001772400077 1190672771 /nfs/dbraw/zinc/67/27/71/1190672771.db2.gz SEWRLNGQBXIAEB-LLVKDONJSA-N -1 1 318.385 0.265 20 0 DCADMM CN(C[C@H]1CCOC1)c1nnc(Cc2nn[n-]n2)n1CC1CC1 ZINC001772400077 1190672774 /nfs/dbraw/zinc/67/27/74/1190672774.db2.gz SEWRLNGQBXIAEB-LLVKDONJSA-N -1 1 318.385 0.265 20 0 DCADMM CO[C@@H]1COCC[C@H]1CC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001772463246 1190691266 /nfs/dbraw/zinc/69/12/66/1190691266.db2.gz HDENYBMKFYVZES-FRRDWIJNSA-N -1 1 323.397 0.422 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001772463249 1190691387 /nfs/dbraw/zinc/69/13/87/1190691387.db2.gz HDENYBMKFYVZES-YNEHKIRRSA-N -1 1 323.397 0.422 20 0 DCADMM CCN(OC)C(=O)CNS(=O)(=O)c1cc(OC)ccc1[O-] ZINC001212294806 751563781 /nfs/dbraw/zinc/56/37/81/751563781.db2.gz OYSRQTCKLOTQNB-UHFFFAOYSA-N -1 1 318.351 0.089 20 0 DCADMM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001042374374 751609934 /nfs/dbraw/zinc/60/99/34/751609934.db2.gz XDHLLOONSXYQKW-SNVBAGLBSA-N -1 1 319.361 0.136 20 0 DCADMM Cc1cccc(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)c1 ZINC001042438916 751646096 /nfs/dbraw/zinc/64/60/96/751646096.db2.gz ABLNGIABOQFNDK-UHFFFAOYSA-N -1 1 315.377 0.373 20 0 DCADMM CN(C(=O)C1CCCCCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001042531912 751721834 /nfs/dbraw/zinc/72/18/34/751721834.db2.gz QBNABTJDXYYMCR-UHFFFAOYSA-N -1 1 321.425 0.721 20 0 DCADMM CN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001043157873 752105706 /nfs/dbraw/zinc/10/57/06/752105706.db2.gz MAJCPVMRGAHIOX-MDZLAQPJSA-N -1 1 319.409 0.187 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001087200729 747364309 /nfs/dbraw/zinc/36/43/09/747364309.db2.gz KLXWDEULRCJQOA-RHYQMDGZSA-N -1 1 307.398 0.883 20 0 DCADMM CC(C)c1nnc(CNCCNC(=O)c2ncccc2[O-])n1C ZINC001126118679 748225558 /nfs/dbraw/zinc/22/55/58/748225558.db2.gz GTSGAPPFYDVYRF-UHFFFAOYSA-N -1 1 318.381 0.559 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1CC(=O)N(C)C ZINC001087543603 748956361 /nfs/dbraw/zinc/95/63/61/748956361.db2.gz AFATWLBJNKQZBY-WDEREUQCSA-N -1 1 323.397 0.095 20 0 DCADMM CCCC[C@@H](C(N)=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001112783951 761918711 /nfs/dbraw/zinc/91/87/11/761918711.db2.gz JOTWAHXSHHCXPC-LBPRGKRZSA-N -1 1 320.393 0.589 20 0 DCADMM CCOC(=O)[C@@H](Nc1ccc2nc(C(=O)OC)nc-2[n-]1)[C@@H](C)O ZINC001168040582 749159989 /nfs/dbraw/zinc/15/99/89/749159989.db2.gz MJAFUEOVRMQGLK-XCBNKYQSSA-N -1 1 322.321 0.469 20 0 DCADMM CCOC(=O)[C@@H](Nc1ccc2nc(C(=O)OC)[n-]c2n1)[C@@H](C)O ZINC001168040582 749159994 /nfs/dbraw/zinc/15/99/94/749159994.db2.gz MJAFUEOVRMQGLK-XCBNKYQSSA-N -1 1 322.321 0.469 20 0 DCADMM CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001071529580 761930865 /nfs/dbraw/zinc/93/08/65/761930865.db2.gz KUIUWHYSYVUVGY-MNOVXSKESA-N -1 1 307.350 0.400 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1ccnn1C ZINC001088538485 749562849 /nfs/dbraw/zinc/56/28/49/749562849.db2.gz BUWXIZWJPCLZBM-YPMHNXCESA-N -1 1 315.377 0.914 20 0 DCADMM Cc1nn[nH]c1C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001077703693 752368095 /nfs/dbraw/zinc/36/80/95/752368095.db2.gz IGZZVOQOTGZDEA-QMMMGPOBSA-N -1 1 318.337 0.152 20 0 DCADMM CC(C)CCN1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001044020005 752520712 /nfs/dbraw/zinc/52/07/12/752520712.db2.gz KFKLRKVBCJWZPD-UHFFFAOYSA-N -1 1 317.393 0.825 20 0 DCADMM C[C@@H](Oc1ccccc1F)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001127993546 752662441 /nfs/dbraw/zinc/66/24/41/752662441.db2.gz OBCUUQXFNKKTBN-SECBINFHSA-N -1 1 323.328 0.323 20 0 DCADMM Cc1ccc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)cn1 ZINC001044929896 752938677 /nfs/dbraw/zinc/93/86/77/752938677.db2.gz OTTCINBNTHUDBB-LBPRGKRZSA-N -1 1 316.365 0.608 20 0 DCADMM O=C(CC[C@@H]1CCCO1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044934863 752941453 /nfs/dbraw/zinc/94/14/53/752941453.db2.gz IZINFECGOUCVNP-RYUDHWBXSA-N -1 1 323.397 0.550 20 0 DCADMM Cc1cc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)ccn1 ZINC001045247140 753110983 /nfs/dbraw/zinc/11/09/83/753110983.db2.gz FMLZJMSFUZTKKI-LBPRGKRZSA-N -1 1 316.365 0.608 20 0 DCADMM Cc1nc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)c(C)o1 ZINC001045251634 753114450 /nfs/dbraw/zinc/11/44/50/753114450.db2.gz CDNKHBIBETYSBH-JTQLQIEISA-N -1 1 320.353 0.510 20 0 DCADMM O=C(CCn1cccc1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045253390 753115329 /nfs/dbraw/zinc/11/53/29/753115329.db2.gz CTQPBLWWOLSEEH-LBPRGKRZSA-N -1 1 318.381 0.483 20 0 DCADMM CC1CC(C(=O)N2CCCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001078375833 753215594 /nfs/dbraw/zinc/21/55/94/753215594.db2.gz XADWDKLPNYQFEV-HTAVTVPLSA-N -1 1 323.397 0.264 20 0 DCADMM Cn1[n-]c(CN2CC[C@@](C)(NC(=O)c3cccs3)C2)nc1=O ZINC001046114755 753487621 /nfs/dbraw/zinc/48/76/21/753487621.db2.gz AOMUJFDLQOXOOH-CQSZACIVSA-N -1 1 321.406 0.564 20 0 DCADMM Cn1[n-]c(CN2CC[C@](C)(NC(=O)c3ccoc3)C2)nc1=O ZINC001046141615 753504849 /nfs/dbraw/zinc/50/48/49/753504849.db2.gz KUXOCOQQCLZALI-AWEZNQCLSA-N -1 1 305.338 0.096 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN([C@H](C)C(=O)N(C)C)C2)c1[O-] ZINC001046240100 753580674 /nfs/dbraw/zinc/58/06/74/753580674.db2.gz PZMIIVGEOZPENI-BMIGLBTASA-N -1 1 323.397 0.095 20 0 DCADMM Cc1nnc(CN2CC[C@](C)(NC(=O)c3ncccc3[O-])C2)o1 ZINC001046262496 753598863 /nfs/dbraw/zinc/59/88/63/753598863.db2.gz UKPIROHSGGJAHC-HNNXBMFYSA-N -1 1 317.349 0.873 20 0 DCADMM O=C(NC[C@H]1CCN(c2cnc(F)cn2)C1)c1ncccc1[O-] ZINC001061586611 754108058 /nfs/dbraw/zinc/10/80/58/754108058.db2.gz XFIQVDIUBRVPPG-SNVBAGLBSA-N -1 1 317.324 0.973 20 0 DCADMM O=C(CCCC1CCOCC1)NCCNCc1n[nH]c(=O)[n-]1 ZINC001128854537 754327508 /nfs/dbraw/zinc/32/75/08/754327508.db2.gz KVLBWMVALUPCDR-UHFFFAOYSA-N -1 1 311.386 0.313 20 0 DCADMM O=C(NC1(CNC(=O)[C@@H]2CCOC2)CCC1)c1ncccc1[O-] ZINC001062668274 754864236 /nfs/dbraw/zinc/86/42/36/754864236.db2.gz PSKMNHYOYHMBBE-LLVKDONJSA-N -1 1 319.361 0.592 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]3[C@H]2CCCN3C(=O)C2CC2)nc1=O ZINC001049265547 755211563 /nfs/dbraw/zinc/21/15/63/755211563.db2.gz FJJKJBOPSRHLOC-VXGBXAGGSA-N -1 1 305.382 0.084 20 0 DCADMM CC[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1nc(=O)n(C)[n-]1 ZINC001049345068 755228296 /nfs/dbraw/zinc/22/82/96/755228296.db2.gz SJSSKSFPLMHMQB-RWMBFGLXSA-N -1 1 321.425 0.720 20 0 DCADMM CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncccc1[O-] ZINC001049434781 755260988 /nfs/dbraw/zinc/26/09/88/755260988.db2.gz RVZOVZWKVDFQJU-VXGBXAGGSA-N -1 1 318.377 0.212 20 0 DCADMM C/C=C(/C)C(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CCO1 ZINC001065072326 755668861 /nfs/dbraw/zinc/66/88/61/755668861.db2.gz AARURLAKIQWJLW-LCKPPEIMSA-N -1 1 319.361 0.711 20 0 DCADMM C[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054380932 756463393 /nfs/dbraw/zinc/46/33/93/756463393.db2.gz FYNULQFFUZXJSM-ZYHUDNBSSA-N -1 1 319.365 0.673 20 0 DCADMM Cc1cccc(C(=O)N2C[C@@H](C)[C@@H](NCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001054395549 756469148 /nfs/dbraw/zinc/46/91/48/756469148.db2.gz IAGCMLBVYHRDOG-SKDRFNHKSA-N -1 1 316.365 0.464 20 0 DCADMM Cc1ocnc1C(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054459852 756494015 /nfs/dbraw/zinc/49/40/15/756494015.db2.gz VXGCZDCYFOCIQE-IONNQARKSA-N -1 1 306.326 0.057 20 0 DCADMM C[C@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054699291 756610960 /nfs/dbraw/zinc/61/09/60/756610960.db2.gz HFQNOLMDZVMJIA-WCQYABFASA-N -1 1 315.377 0.745 20 0 DCADMM Cc1noc(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1C ZINC001054773356 756635000 /nfs/dbraw/zinc/63/50/00/756635000.db2.gz WAZNQUWGLUDKGZ-GMSGAONNSA-N -1 1 320.353 0.365 20 0 DCADMM Cc1nc(C(=O)N2C[C@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)cs1 ZINC001055008086 756707522 /nfs/dbraw/zinc/70/75/22/756707522.db2.gz WJYGLEOCVCWBLI-IONNQARKSA-N -1 1 322.394 0.526 20 0 DCADMM CCOCC(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C1 ZINC001055141151 756733977 /nfs/dbraw/zinc/73/39/77/756733977.db2.gz AZGSCJMGCIGZGV-TXEJJXNPSA-N -1 1 319.361 0.354 20 0 DCADMM CN1Cc2cc(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)cnc2C1=O ZINC001170216661 762569686 /nfs/dbraw/zinc/56/96/86/762569686.db2.gz MDXWDZQLQCQFJZ-UHFFFAOYSA-N -1 1 313.277 0.440 20 0 DCADMM O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)c1cccnc1 ZINC001085117595 758216224 /nfs/dbraw/zinc/21/62/24/758216224.db2.gz QAWDTYLFDOLWMS-VXGBXAGGSA-N -1 1 316.365 0.736 20 0 DCADMM CNC(=O)[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001085561715 759043265 /nfs/dbraw/zinc/04/32/65/759043265.db2.gz SVXIAGBMMKPUPI-MNOVXSKESA-N -1 1 306.366 0.068 20 0 DCADMM CN(C[C@@H]1CCN1Cc1ncccn1)C(=O)c1ncccc1[O-] ZINC001085562869 759059590 /nfs/dbraw/zinc/05/95/90/759059590.db2.gz XZCLFLAFECCBPE-LBPRGKRZSA-N -1 1 313.361 0.924 20 0 DCADMM CN(C[C@@H]1CCN1Cc1ccn(C)n1)C(=O)c1ncccc1[O-] ZINC001085562163 759059606 /nfs/dbraw/zinc/05/96/06/759059606.db2.gz FHKHJUVPJRHLMJ-ZDUSSCGKSA-N -1 1 315.377 0.867 20 0 DCADMM CN(C[C@@H]1CCN1Cc1ccnn1C)C(=O)c1ncccc1[O-] ZINC001085562229 759059834 /nfs/dbraw/zinc/05/98/34/759059834.db2.gz HAJWUCDQCIBVDE-ZDUSSCGKSA-N -1 1 315.377 0.867 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)[N-]OC(C)C)cc1-c1nn[nH]n1 ZINC001580229955 1165542842 /nfs/dbraw/zinc/54/28/42/1165542842.db2.gz HXIKRMDWJMDNPU-UHFFFAOYSA-N -1 1 310.339 0.759 20 0 DCADMM Cc1ncc(CO)c(C(=O)N2CC(F)(F)CC[C@H]2CO)c1[O-] ZINC001147837130 767857179 /nfs/dbraw/zinc/85/71/79/767857179.db2.gz UVKAGNWCSCDMBO-JTQLQIEISA-N -1 1 316.304 0.820 20 0 DCADMM Cc1nocc1C(=O)OCCc1c(C)nc2nc[n-]n2c1=O ZINC001122735147 767865421 /nfs/dbraw/zinc/86/54/21/767865421.db2.gz IKHQSIBXEBWFJG-UHFFFAOYSA-N -1 1 303.278 0.422 20 0 DCADMM Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)NCc1nn[n-]n1 ZINC001148046657 767903331 /nfs/dbraw/zinc/90/33/31/767903331.db2.gz SEPWHIAKXMKBIK-UHFFFAOYSA-N -1 1 322.329 0.210 20 0 DCADMM CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001108930304 761152250 /nfs/dbraw/zinc/15/22/50/761152250.db2.gz NCFLZNOBTNUYSA-AGIUHOORSA-N -1 1 321.425 0.910 20 0 DCADMM C[C@@H](CN(C)c1nccnc1F)NC(=O)c1ncccc1[O-] ZINC001108946987 761166600 /nfs/dbraw/zinc/16/66/00/761166600.db2.gz ZESIIAPMTPCPKL-VIFPVBQESA-N -1 1 305.313 0.971 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c1Cl ZINC000691453058 761356478 /nfs/dbraw/zinc/35/64/78/761356478.db2.gz HQFRVAOWKKBCCQ-BDAKNGLRSA-N -1 1 305.787 0.919 20 0 DCADMM CO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001070648357 761373690 /nfs/dbraw/zinc/37/36/90/761373690.db2.gz GPFNKYUNNSWIBT-GHMZBOCLSA-N -1 1 307.350 0.543 20 0 DCADMM COc1c(F)nccc1C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001123999497 768093391 /nfs/dbraw/zinc/09/33/91/768093391.db2.gz WFTDYMCITIDYDT-VIFPVBQESA-N -1 1 320.328 0.837 20 0 DCADMM C[C@@H](CC(=O)NCCNCc1n[nH]c(=O)[n-]1)c1ccncc1 ZINC001130194755 763171973 /nfs/dbraw/zinc/17/19/73/763171973.db2.gz COGBXCQFODFCKF-JTQLQIEISA-N -1 1 304.354 0.305 20 0 DCADMM CC(C)=C[C@H]1[C@@H](C(=O)NCCNCc2n[nH]c(=O)[n-]2)C1(C)C ZINC001131088666 763639611 /nfs/dbraw/zinc/63/96/11/763639611.db2.gz PAYDSBHJUXYNNX-JQWIXIFHSA-N -1 1 307.398 0.955 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC001131949462 764146216 /nfs/dbraw/zinc/14/62/16/764146216.db2.gz CTFHWQOAMLPJFL-RGEGJOEESA-N -1 1 307.398 0.544 20 0 DCADMM Cc1ccnc(NC[C@H](O)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001124328794 768217407 /nfs/dbraw/zinc/21/74/07/768217407.db2.gz CCFZJDRCTYKMCJ-NSHDSACASA-N -1 1 317.349 0.431 20 0 DCADMM Cn1nc(C(C)(C)C)cc1C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001133311561 764917764 /nfs/dbraw/zinc/91/77/64/764917764.db2.gz AYQABPJIKZSAHA-UHFFFAOYSA-N -1 1 321.385 0.061 20 0 DCADMM Cc1cccc(Cl)c1C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001133315288 764926207 /nfs/dbraw/zinc/92/62/07/764926207.db2.gz XTXQGKKZAPOARA-UHFFFAOYSA-N -1 1 309.757 0.992 20 0 DCADMM COCc1cc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)ccc1F ZINC001133618797 765041961 /nfs/dbraw/zinc/04/19/61/765041961.db2.gz NMDKDQFTXOFWTQ-UHFFFAOYSA-N -1 1 323.328 0.315 20 0 DCADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CCNC(=O)[C@H]1CC12CC2 ZINC001103468296 765062183 /nfs/dbraw/zinc/06/21/83/765062183.db2.gz AUTTYJSNCISRSE-IJLUTSLNSA-N -1 1 319.409 0.885 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H](C)C[C@@H](C)NCc2cnon2)c1[O-] ZINC001134091275 765338919 /nfs/dbraw/zinc/33/89/19/765338919.db2.gz SDBIPHCXVLYXNY-HTQZYQBOSA-N -1 1 308.342 0.493 20 0 DCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ccncn2)c1 ZINC001116780878 765909924 /nfs/dbraw/zinc/90/99/24/765909924.db2.gz ZJQZEQVVERPYOC-UHFFFAOYSA-N -1 1 322.346 0.401 20 0 DCADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC001092495520 768335021 /nfs/dbraw/zinc/33/50/21/768335021.db2.gz JUECDZIPOPHFKY-GRYCIOLGSA-N -1 1 323.397 0.121 20 0 DCADMM Cc1nc(S(=O)(=O)Cc2ncn(-c3ccccc3)n2)n[n-]1 ZINC001117105955 765983590 /nfs/dbraw/zinc/98/35/90/765983590.db2.gz WSAJNWWLNOTEKR-UHFFFAOYSA-N -1 1 304.335 0.668 20 0 DCADMM COCCCCCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001117374336 766037128 /nfs/dbraw/zinc/03/71/28/766037128.db2.gz CVRRPLYYILGKKH-UHFFFAOYSA-N -1 1 319.365 0.213 20 0 DCADMM CN(C[C@@H](O)CN(C)c1ncccn1)C(=O)c1ncccc1[O-] ZINC001125070453 768350223 /nfs/dbraw/zinc/35/02/23/768350223.db2.gz RGLMFCJBRUNGPI-LLVKDONJSA-N -1 1 317.349 0.147 20 0 DCADMM Cn1c2ccc(NC(=O)CCCc3nn[n-]n3)cc2n(C)c1=O ZINC001136433742 766293788 /nfs/dbraw/zinc/29/37/88/766293788.db2.gz XXRKKJKKUFUTOE-UHFFFAOYSA-N -1 1 315.337 0.352 20 0 DCADMM Cc1c(F)ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1N ZINC001136656704 766415692 /nfs/dbraw/zinc/41/56/92/766415692.db2.gz OSSMMBGEYMNIAN-JTQLQIEISA-N -1 1 306.301 0.443 20 0 DCADMM CCc1nc([C@H](C)NC(=O)c2c[n-]n3c2nccc3=O)n[nH]1 ZINC001118771029 766432341 /nfs/dbraw/zinc/43/23/41/766432341.db2.gz YFUXQTMOBUEFHE-ZETCQYMHSA-N -1 1 301.310 0.194 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)CCCn3ccnc3)nc2n1 ZINC001118846473 766449272 /nfs/dbraw/zinc/44/92/72/766449272.db2.gz USGOBBUJFBVBRO-UHFFFAOYSA-N -1 1 315.337 0.595 20 0 DCADMM O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001137664400 766557553 /nfs/dbraw/zinc/55/75/53/766557553.db2.gz ZGBPHKPFOZWBCQ-QMMMGPOBSA-N -1 1 316.235 0.946 20 0 DCADMM Cc1[nH]nc(I)c1C(=O)Nc1nnn[n-]1 ZINC001136947122 766605044 /nfs/dbraw/zinc/60/50/44/766605044.db2.gz XYJQLEZLNRFUPJ-UHFFFAOYSA-N -1 1 319.066 0.088 20 0 DCADMM Cc1[nH]nc(I)c1C(=O)Nc1nn[n-]n1 ZINC001136947122 766605051 /nfs/dbraw/zinc/60/50/51/766605051.db2.gz XYJQLEZLNRFUPJ-UHFFFAOYSA-N -1 1 319.066 0.088 20 0 DCADMM COCCOc1ccc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC001119536561 766717194 /nfs/dbraw/zinc/71/71/94/766717194.db2.gz MKNOWDXTLMEJOM-RYUDHWBXSA-N -1 1 324.377 0.779 20 0 DCADMM O=C([O-])CSCCC(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC001119586338 766741069 /nfs/dbraw/zinc/74/10/69/766741069.db2.gz FTIWYKOPMZJFGD-QWRGUYRKSA-N -1 1 318.464 0.890 20 0 DCADMM C[C@@H]1CN(C(=O)CCCCC(=O)[O-])CCN1CC(C)(C)O ZINC001119653234 766761998 /nfs/dbraw/zinc/76/19/98/766761998.db2.gz AHKATMRPOXUONL-GFCCVEGCSA-N -1 1 300.399 0.935 20 0 DCADMM Cc1c(F)ccc(N)c1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001144254998 766846050 /nfs/dbraw/zinc/84/60/50/766846050.db2.gz KLCPSNPBLLXJDF-SNVBAGLBSA-N -1 1 306.301 0.443 20 0 DCADMM CS(=O)(=O)N1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144667782 767002643 /nfs/dbraw/zinc/00/26/43/767002643.db2.gz ZXNDYOCUWURSLS-UHFFFAOYSA-N -1 1 306.334 0.748 20 0 DCADMM Cc1ccccc1OCCN(C)c1nnc(-c2nnn[n-]2)n1C ZINC001121268190 767489592 /nfs/dbraw/zinc/48/95/92/767489592.db2.gz KGILDDMIUSHJTJ-UHFFFAOYSA-N -1 1 314.353 0.819 20 0 DCADMM Cc1ccccc1OCCN(C)c1nnc(-c2nn[n-]n2)n1C ZINC001121268190 767489600 /nfs/dbraw/zinc/48/96/00/767489600.db2.gz KGILDDMIUSHJTJ-UHFFFAOYSA-N -1 1 314.353 0.819 20 0 DCADMM Cc1ncc(C)c(N[C@@H](CO)CNC(=O)c2ncccc2[O-])n1 ZINC001121338984 767518293 /nfs/dbraw/zinc/51/82/93/767518293.db2.gz DPJPTMSLRNYINF-LLVKDONJSA-N -1 1 317.349 0.397 20 0 DCADMM O=C([O-])[C@]1(C(=O)NC[C@H]2CCOc3ccccc32)CNCCO1 ZINC001121862777 767651718 /nfs/dbraw/zinc/65/17/18/767651718.db2.gz QGMKTZIMNDXYQQ-BDJLRTHQSA-N -1 1 320.345 0.112 20 0 DCADMM O=C([O-])[C@@]1(C(=O)NC[C@H]2CCOc3ccccc32)CNCCO1 ZINC001121862778 767652220 /nfs/dbraw/zinc/65/22/20/767652220.db2.gz QGMKTZIMNDXYQQ-BZNIZROVSA-N -1 1 320.345 0.112 20 0 DCADMM CCOc1ccccc1CCNC(=O)[C@]1(C(=O)[O-])CNCCO1 ZINC001121869434 767653648 /nfs/dbraw/zinc/65/36/48/767653648.db2.gz YJYJBSGAVBTMFP-INIZCTEOSA-N -1 1 322.361 0.187 20 0 DCADMM CCCO[C@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CNCCO2)CC1 ZINC001121874423 767654389 /nfs/dbraw/zinc/65/43/89/767654389.db2.gz BYGANWGBYHFIGJ-WFASDCNBSA-N -1 1 314.382 0.237 20 0 DCADMM Cc1ccc(SCCNC(=O)[C@@]2(C(=O)[O-])CNCCO2)cc1 ZINC001121912655 767664571 /nfs/dbraw/zinc/66/45/71/767664571.db2.gz MISMIRCUWKPFNE-OAHLLOKOSA-N -1 1 324.402 0.647 20 0 DCADMM O=C([O-])[C@]1(C(=O)N[C@@H](C2CCC2)C2CCCC2)CNCCO1 ZINC001122005939 767694947 /nfs/dbraw/zinc/69/49/47/767694947.db2.gz ARAGWDZHRAEVKH-CZUORRHYSA-N -1 1 310.394 0.905 20 0 DCADMM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CNCCO1)[C@@H]1CC2CCC1CC2 ZINC001122047846 767706054 /nfs/dbraw/zinc/70/60/54/767706054.db2.gz PUWLQYZTTFZELP-XTLCSZPDSA-N -1 1 310.394 0.761 20 0 DCADMM O=C([O-])[C@@]1(C(=O)N2CCC[C@@H](C(F)(F)F)C2)CNCCO1 ZINC001122186616 767735417 /nfs/dbraw/zinc/73/54/17/767735417.db2.gz VHLPJBAQKCDDCN-KCJUWKMLSA-N -1 1 310.272 0.231 20 0 DCADMM CC(=O)N1CCOC[C@]2(CN(Cc3ncccc3[O-])CCO2)C1 ZINC001138392224 768412715 /nfs/dbraw/zinc/41/27/15/768412715.db2.gz CEFCCBVHHJOSCT-INIZCTEOSA-N -1 1 321.377 0.237 20 0 DCADMM COC(=O)[C@H]1C[C@](O)(C(F)(F)F)CN1Cc1ccncc1[O-] ZINC001140275832 768522737 /nfs/dbraw/zinc/52/27/37/768522737.db2.gz UFLOLZKSZPZZSZ-BXKDBHETSA-N -1 1 320.267 0.828 20 0 DCADMM C[C@@H](NC(=O)CCCc1nn[n-]n1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001141776708 768592481 /nfs/dbraw/zinc/59/24/81/768592481.db2.gz IJOPZDALAKVWEL-MRVPVSSYSA-N -1 1 315.337 0.982 20 0 DCADMM CNC(=O)[C@@H]1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC001142621175 768653387 /nfs/dbraw/zinc/65/33/87/768653387.db2.gz ZAUIKBBHBBRARB-MRVPVSSYSA-N -1 1 305.363 0.226 20 0 DCADMM CCC[C@H](NC(=O)c1cnn2cc(C)cnc12)c1nn[n-]n1 ZINC001149121966 768712533 /nfs/dbraw/zinc/71/25/33/768712533.db2.gz KXOVMMVYKUVSRD-JTQLQIEISA-N -1 1 300.326 0.822 20 0 DCADMM O=C(NC[C@@H]1CNC(=O)CO1)c1ccc2cccnc2c1[O-] ZINC001149326670 768733199 /nfs/dbraw/zinc/73/31/99/768733199.db2.gz LIRXSMKFUNVEEO-JTQLQIEISA-N -1 1 301.302 0.185 20 0 DCADMM COc1ccc2nc(=O)[nH]c(OC(=O)[C@@H](O)CC(=O)[O-])c2c1 ZINC001230852608 768887127 /nfs/dbraw/zinc/88/71/27/768887127.db2.gz AUCUEVDAMYEISE-VIFPVBQESA-N -1 1 308.246 0.085 20 0 DCADMM O=C(Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)c1cnc2n[nH]cc2c1 ZINC001150492373 769109874 /nfs/dbraw/zinc/10/98/74/769109874.db2.gz AIDOHZJFIDAFNU-UHFFFAOYSA-N -1 1 312.249 0.239 20 0 DCADMM Cc1nc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)c2ccccn12 ZINC001150803315 769189359 /nfs/dbraw/zinc/18/93/59/769189359.db2.gz LNMQEJCSFKYKAQ-NSHDSACASA-N -1 1 313.321 0.370 20 0 DCADMM O=C(Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)c1cc2cccnc2[nH]1 ZINC001151552823 769368007 /nfs/dbraw/zinc/36/80/07/769368007.db2.gz XJGBRRYQLLYOQM-UHFFFAOYSA-N -1 1 311.261 0.844 20 0 DCADMM CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001233836374 769467865 /nfs/dbraw/zinc/46/78/65/769467865.db2.gz CWLFYLURYFEJDN-LLVKDONJSA-N -1 1 306.366 0.070 20 0 DCADMM Cc1ccc(C)n1[C@@H](C)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001152357235 769533936 /nfs/dbraw/zinc/53/39/36/769533936.db2.gz ZZKGKDSPKQLMCX-NSHDSACASA-N -1 1 306.370 0.396 20 0 DCADMM COC(=O)c1cccc2[n-]c(OC[C@@H]3OCCN(C)C3=O)nc21 ZINC001234044835 769534936 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C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001289597826 956765275 /nfs/dbraw/zinc/76/52/75/956765275.db2.gz YSXRZRPAYJJAID-FIWGHNNNSA-N -1 1 305.334 0.055 20 0 DCADMM O=C(c1ccc(F)c([O-])c1)N1CCC2(CC1)NC(=O)NC2=O ZINC001290540586 956851695 /nfs/dbraw/zinc/85/16/95/956851695.db2.gz RTXBSDWVOQYLIA-UHFFFAOYSA-N -1 1 307.281 0.346 20 0 DCADMM O=C([O-])CN1CCN(C(=O)COc2cccc(Cl)c2)CC1 ZINC000035679962 957216362 /nfs/dbraw/zinc/21/63/62/957216362.db2.gz COLZNUYISRRFQV-UHFFFAOYSA-N -1 1 312.753 0.948 20 0 DCADMM CN(CCCCc1ccccc1)C(=O)[C@]1(C(=O)[O-])CNCCO1 ZINC001357193936 957229624 /nfs/dbraw/zinc/22/96/24/957229624.db2.gz LSKPQEXYKCGPCT-KRWDZBQOSA-N -1 1 320.389 0.911 20 0 DCADMM O=C(C[C@@H]1CCOC1)NCCCNC(=O)c1ncccc1[O-] ZINC001293212371 957314094 /nfs/dbraw/zinc/31/40/94/957314094.db2.gz PCQFRPDLGWPZPQ-NSHDSACASA-N -1 1 307.350 0.450 20 0 DCADMM CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C1CCCC1 ZINC001463699203 1013156178 /nfs/dbraw/zinc/15/61/78/1013156178.db2.gz 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CC(C)n1nccc1C(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001367675043 958334006 /nfs/dbraw/zinc/33/40/06/958334006.db2.gz KWLPIQGZZVMNIL-SECBINFHSA-N -1 1 307.358 0.196 20 0 DCADMM CNC(=O)[C@@H]1CCCN(C(=O)c2cnc(SC)[n-]c2=O)C1 ZINC001361831232 958380088 /nfs/dbraw/zinc/38/00/88/958380088.db2.gz RZEGTOGGOGDMDE-MRVPVSSYSA-N -1 1 310.379 0.502 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC(C)(C)COC(C)C)[n-]n1 ZINC001463866472 1013175349 /nfs/dbraw/zinc/17/53/49/1013175349.db2.gz HAZXLVAUNKXBNY-UHFFFAOYSA-N -1 1 319.383 0.678 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC(C)(C)COC(C)C)n[n-]1 ZINC001463866472 1013175355 /nfs/dbraw/zinc/17/53/55/1013175355.db2.gz HAZXLVAUNKXBNY-UHFFFAOYSA-N -1 1 319.383 0.678 20 0 DCADMM O=C(NC/C=C\CNC(=O)c1ncccc1[O-])c1cccnc1 ZINC001298217358 958467396 /nfs/dbraw/zinc/46/73/96/958467396.db2.gz DETUBDRUVBEAJG-UPHRSURJSA-N -1 1 312.329 0.898 20 0 DCADMM C[C@@H](NC(=O)CCCc1nn[n-]n1)C(=O)N1CCCC[C@H]1C ZINC001361924182 958495607 /nfs/dbraw/zinc/49/56/07/958495607.db2.gz 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ZINC001362121723 958770595 /nfs/dbraw/zinc/77/05/95/958770595.db2.gz OCGZWGGUGZWRFT-UHFFFAOYSA-N -1 1 302.338 0.911 20 0 DCADMM O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1nnn[n-]1 ZINC001362137326 958804518 /nfs/dbraw/zinc/80/45/18/958804518.db2.gz FOQOJIRWOLUDCZ-UHFFFAOYSA-N -1 1 301.232 0.542 20 0 DCADMM O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1nn[n-]n1 ZINC001362137326 958804536 /nfs/dbraw/zinc/80/45/36/958804536.db2.gz FOQOJIRWOLUDCZ-UHFFFAOYSA-N -1 1 301.232 0.542 20 0 DCADMM CS(=O)(=O)C[C@@H](NC(=O)c1cnncc1[O-])c1ccccc1 ZINC001362200477 958915763 /nfs/dbraw/zinc/91/57/63/958915763.db2.gz RKKNAQJEDPKIBW-GFCCVEGCSA-N -1 1 321.358 0.698 20 0 DCADMM CCC[C@H](NC(=O)c1cncc(N2CCCC2)n1)c1nn[n-]n1 ZINC001362203165 958919724 /nfs/dbraw/zinc/91/97/24/958919724.db2.gz GSADZOOGLHHRPU-JTQLQIEISA-N -1 1 316.369 0.861 20 0 DCADMM O=C(Cn1cc(C2CC2)nn1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001362205971 958927737 /nfs/dbraw/zinc/92/77/37/958927737.db2.gz GQFBADGOIKDGGY-JTQLQIEISA-N -1 1 302.342 0.075 20 0 DCADMM CC(C)C[C@@H](C)CC(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001367972894 958986145 /nfs/dbraw/zinc/98/61/45/958986145.db2.gz CDDIZWZJOZECNI-CHWSQXEVSA-N -1 1 323.441 0.871 20 0 DCADMM CC(C)c1nnc(CCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)o1 ZINC001362245856 958995726 /nfs/dbraw/zinc/99/57/26/958995726.db2.gz OTXABEIIBMSYFP-SECBINFHSA-N -1 1 321.341 0.239 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC1(NCc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001368019877 959104063 /nfs/dbraw/zinc/10/40/63/959104063.db2.gz FHUHOZRQMDACLD-ZYHUDNBSSA-N -1 1 315.377 0.417 20 0 DCADMM CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCc1nn[n-]n1)C1CC1 ZINC001362335045 959165948 /nfs/dbraw/zinc/16/59/48/959165948.db2.gz VCGUNKLMPJCSRO-SNVBAGLBSA-N -1 1 324.385 0.552 20 0 DCADMM O=C(Nc1nn[n-]n1)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001362342723 959180760 /nfs/dbraw/zinc/18/07/60/959180760.db2.gz ZFCBEAWYFOPBAA-UHFFFAOYSA-N -1 1 303.257 0.460 20 0 DCADMM COc1ccc(F)cc1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001362376227 959243630 /nfs/dbraw/zinc/24/36/30/959243630.db2.gz 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959324759 /nfs/dbraw/zinc/32/47/59/959324759.db2.gz QVPZRGWORODQBH-OLZOCXBDSA-N -1 1 319.365 0.123 20 0 DCADMM CCC(CC)(NC(=O)[C@@H](C)N1CCSCC1)c1nn[n-]n1 ZINC001362429838 959340076 /nfs/dbraw/zinc/34/00/76/959340076.db2.gz XKGMDSMOTZYNFW-SNVBAGLBSA-N -1 1 312.443 0.769 20 0 DCADMM CCC(CC)(NC(=O)[C@H](C)OC[C@@H]1CCCO1)c1nn[n-]n1 ZINC001362429561 959340235 /nfs/dbraw/zinc/34/02/35/959340235.db2.gz WXDKOIBCCZPMIO-QWRGUYRKSA-N -1 1 311.386 0.915 20 0 DCADMM O=C(CCCc1nn[n-]n1)NC[C@@H](O)COc1ccc(F)cc1 ZINC001362445476 959370385 /nfs/dbraw/zinc/37/03/85/959370385.db2.gz IEIQHWOZYVVTOQ-LLVKDONJSA-N -1 1 323.328 0.218 20 0 DCADMM CC(C)(NC(=O)CNC(=O)c1ncccc1[O-])C1CCOCC1 ZINC001362455881 959393938 /nfs/dbraw/zinc/39/39/38/959393938.db2.gz NGEZPAVQDTVRBG-UHFFFAOYSA-N -1 1 321.377 0.838 20 0 DCADMM COC[C@](C)(NC(=O)c1cnc(C2CC2)[n-]c1=O)C(=O)OC ZINC001362468319 959411582 /nfs/dbraw/zinc/41/15/82/959411582.db2.gz XVQYKTNIBMEVQG-AWEZNQCLSA-N -1 1 309.322 0.368 20 0 DCADMM 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ZINC001597745776 989113232 /nfs/dbraw/zinc/11/32/32/989113232.db2.gz GYTXVCRPJQDKFX-MNOVXSKESA-N -1 1 309.366 0.814 20 0 DCADMM CNc1nc(C)cc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)n1 ZINC001527344443 1015451272 /nfs/dbraw/zinc/45/12/72/1015451272.db2.gz BKUFHGUVFBFAQG-UHFFFAOYSA-N -1 1 314.309 0.118 20 0 DCADMM CCO[C@H](CC)C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001389637268 989452521 /nfs/dbraw/zinc/45/25/21/989452521.db2.gz DOJHTLNVPWMPMY-DGCLKSJQSA-N -1 1 321.377 0.933 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@H]1CCOC1)NC(=O)c1ncccc1[O-] ZINC001450962179 1015484604 /nfs/dbraw/zinc/48/46/04/1015484604.db2.gz XMUPBXGAGSUGBG-QWRGUYRKSA-N -1 1 307.350 0.400 20 0 DCADMM O=C(NCC1(NC(=O)c2ncccc2[O-])CC1)c1ccnnc1 ZINC001389982760 989728030 /nfs/dbraw/zinc/72/80/30/989728030.db2.gz CNTZECGWLSQKDO-UHFFFAOYSA-N -1 1 313.317 0.270 20 0 DCADMM CCn1cc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c(C)n1 ZINC001597887862 989735344 /nfs/dbraw/zinc/73/53/44/989735344.db2.gz UDPXKLSXPIXBJZ-INIZCTEOSA-N -1 1 322.409 0.573 20 0 DCADMM CC(C)(C)OC(=O)[C@@H]1CCCN1CCC(=O)NCC(=O)[O-] ZINC001590329204 989766336 /nfs/dbraw/zinc/76/63/36/989766336.db2.gz SWVUNNJIPWXEIP-JTQLQIEISA-N -1 1 300.355 0.383 20 0 DCADMM CCn1ccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)n1 ZINC001597904843 989790703 /nfs/dbraw/zinc/79/07/03/989790703.db2.gz QWJRNAAXPQAVHG-GFCCVEGCSA-N -1 1 323.397 0.593 20 0 DCADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1ccon1 ZINC001451002310 1015521766 /nfs/dbraw/zinc/52/17/66/1015521766.db2.gz CFXJHSFKXHQAAA-SECBINFHSA-N -1 1 304.306 0.666 20 0 DCADMM Cc1cc(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])on1 ZINC001451014529 1015532159 /nfs/dbraw/zinc/53/21/59/1015532159.db2.gz XULJCTRKVGCXDB-SNVBAGLBSA-N -1 1 318.333 0.974 20 0 DCADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)NCc1n[nH]c(=O)[n-]1 ZINC001390525140 990173271 /nfs/dbraw/zinc/17/32/71/990173271.db2.gz LEZCBWWGSUJQKD-JTQLQIEISA-N -1 1 315.377 0.907 20 0 DCADMM CN(C(=O)CN[C@H](C(=O)[O-])C1CCOCC1)c1nccs1 ZINC001598025777 990236600 /nfs/dbraw/zinc/23/66/00/990236600.db2.gz WKVXYPOECAVHOP-NSHDSACASA-N -1 1 313.379 0.575 20 0 DCADMM CC[C@@H](C)[C@H](C)C(=O)NCCN(CC)Cc1nc(=O)n(C)[n-]1 ZINC001391007619 990514226 /nfs/dbraw/zinc/51/42/26/990514226.db2.gz WWIYPAIDMUDNSD-NEPJUHHUSA-N -1 1 311.430 0.729 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1CCCCO1 ZINC001391220499 990679679 /nfs/dbraw/zinc/67/96/79/990679679.db2.gz ITGUSQYKMYQBMS-AAEUAGOBSA-N -1 1 321.377 0.838 20 0 DCADMM CC(C)(NC(=O)C(F)(F)F)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001590839908 990702316 /nfs/dbraw/zinc/70/23/16/990702316.db2.gz IBOIDEQFLCJFJC-UHFFFAOYSA-N -1 1 310.272 0.813 20 0 DCADMM CC(C)(NCC1CN(S(C)(=O)=O)C1)c1cc(C(=O)[O-])on1 ZINC001590870317 990771810 /nfs/dbraw/zinc/77/18/10/990771810.db2.gz LOTJDLIAQSZDMA-UHFFFAOYSA-N -1 1 317.367 0.089 20 0 DCADMM CC(C)(O)CN1CCN(C(=O)NC2CC(CC(=O)[O-])C2)CC1 ZINC001590899210 990853942 /nfs/dbraw/zinc/85/39/42/990853942.db2.gz UGSYFWBITSKTBP-UHFFFAOYSA-N -1 1 313.398 0.338 20 0 DCADMM O=C(NC1(CNCc2n[nH]c(=O)[n-]2)CCCC1)c1ccncc1 ZINC001391753868 991159892 /nfs/dbraw/zinc/15/98/92/991159892.db2.gz PDQXOCBRSHPURM-UHFFFAOYSA-N -1 1 316.365 0.738 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001392080095 991473125 /nfs/dbraw/zinc/47/31/25/991473125.db2.gz XRILGVYNVYNLOR-QMMMGPOBSA-N -1 1 320.353 0.626 20 0 DCADMM COc1ccnc(CNC2(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c1 ZINC001599720819 991533923 /nfs/dbraw/zinc/53/39/23/991533923.db2.gz OQPVJAHSXSQGQZ-OLZOCXBDSA-N -1 1 319.361 0.549 20 0 DCADMM CN(CC(=O)[O-])C(=O)CCN1CCN(c2cncc(F)c2)CC1 ZINC001598409407 991727641 /nfs/dbraw/zinc/72/76/41/991727641.db2.gz MAEZVXJGXPXLNQ-UHFFFAOYSA-N -1 1 324.356 0.276 20 0 DCADMM CN(CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1n[nH]c(C2CC2)n1 ZINC001598486407 992212464 /nfs/dbraw/zinc/21/24/64/992212464.db2.gz OPBJRWKEVZDLAR-WDEREUQCSA-N -1 1 321.381 0.293 20 0 DCADMM CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1n[nH]c(C(C)(C)C)n1 ZINC001598491312 992296646 /nfs/dbraw/zinc/29/66/46/992296646.db2.gz NVYXJORIHVYLJF-VHSXEESVSA-N -1 1 323.397 0.371 20 0 DCADMM CN(CCNS(=O)(=O)c1cccc(CC(=O)[O-])c1)C1CC1 ZINC001598493832 992336756 /nfs/dbraw/zinc/33/67/56/992336756.db2.gz DDNVAMSODNAIIO-UHFFFAOYSA-N -1 1 312.391 0.686 20 0 DCADMM CC(C)Cn1[nH]c(CC(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1=O ZINC001591504914 992648521 /nfs/dbraw/zinc/64/85/21/992648521.db2.gz CMIDGUWSJSVRHK-VIFPVBQESA-N -1 1 319.308 0.600 20 0 DCADMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCC1)[C@H]1CCCOC1 ZINC001393534945 993061424 /nfs/dbraw/zinc/06/14/24/993061424.db2.gz UHLMTAOZSCTMSN-JTQLQIEISA-N -1 1 309.370 0.065 20 0 DCADMM Cc1cncc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CCC2)c1 ZINC001393546460 993071088 /nfs/dbraw/zinc/07/10/88/993071088.db2.gz PMVOXYMLMUFOMO-UHFFFAOYSA-N -1 1 316.365 0.656 20 0 DCADMM CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001598569090 993175657 /nfs/dbraw/zinc/17/56/57/993175657.db2.gz HCTBKUCRLGBGGJ-CJNGLKHVSA-N -1 1 306.362 0.385 20 0 DCADMM CN1C[C@H](O)C[C@]1(C)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001598569280 993178400 /nfs/dbraw/zinc/17/84/00/993178400.db2.gz ITJFEQIIUHPCIJ-RHSMWYFYSA-N -1 1 318.373 0.725 20 0 DCADMM CC[C@H](C(N)=O)N(C)C[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001393872537 993312492 /nfs/dbraw/zinc/31/24/92/993312492.db2.gz OHFUFTTVBRPUIA-WDEREUQCSA-N -1 1 323.397 0.224 20 0 DCADMM CC(C)n1nccc1C(=O)N[C@H](C)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001393945496 993365720 /nfs/dbraw/zinc/36/57/20/993365720.db2.gz HMMDIWTXCCSAGO-VHSXEESVSA-N -1 1 321.385 0.584 20 0 DCADMM CN1CC[C@@H](N2CCC(Nc3cncc(C(=O)[O-])n3)CC2)C1=O ZINC001598584787 993366710 /nfs/dbraw/zinc/36/67/10/993366710.db2.gz DSWZNEYPCKDRMZ-GFCCVEGCSA-N -1 1 319.365 0.282 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)CCC(C)(F)F ZINC001393958840 993373029 /nfs/dbraw/zinc/37/30/29/993373029.db2.gz NFWIAYNUNASRLY-SFYZADRCSA-N -1 1 305.329 0.929 20 0 DCADMM CN1CCCC[C@@H]1C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001598597937 993533587 /nfs/dbraw/zinc/53/35/87/993533587.db2.gz DFUJDGBLMNAFDU-CYBMUJFWSA-N -1 1 321.381 0.624 20 0 DCADMM CO[C@H](C)CC(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001394265899 993580268 /nfs/dbraw/zinc/58/02/68/993580268.db2.gz HSCIAHSLEXYYMP-BZNIZROVSA-N -1 1 321.377 0.933 20 0 DCADMM COc1ccc(F)cc1CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001599583505 993582108 /nfs/dbraw/zinc/58/21/08/993582108.db2.gz UMLKHTFNJDTFQA-LBPRGKRZSA-N -1 1 321.308 0.912 20 0 DCADMM CN1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001598602590 993583592 /nfs/dbraw/zinc/58/35/92/993583592.db2.gz GNNHHXNPRQLUSQ-SNVBAGLBSA-N -1 1 316.354 0.896 20 0 DCADMM CN1CCN(C(=O)[C@@](C)(O)c2ccc(F)cc2)C[C@@H](C(=O)[O-])C1 ZINC001598604389 993620177 /nfs/dbraw/zinc/62/01/77/993620177.db2.gz SPKWFRFOQLDOND-ZBEGNZNMSA-N -1 1 324.352 0.508 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NCc1csnn1 ZINC001394463777 993732574 /nfs/dbraw/zinc/73/25/74/993732574.db2.gz DWGASHWBTUINSX-VIFPVBQESA-N -1 1 307.379 0.889 20 0 DCADMM CN1CCN(C)[C@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC001598612256 993799969 /nfs/dbraw/zinc/79/99/69/993799969.db2.gz QKBUTEXJIMONAU-NVPAJSRCSA-N -1 1 323.437 0.774 20 0 DCADMM Cc1cc(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])n(C)n1 ZINC001399910097 993915547 /nfs/dbraw/zinc/91/55/47/993915547.db2.gz JAPWIRNGABWNMC-SNVBAGLBSA-N -1 1 317.349 0.377 20 0 DCADMM Cc1c[nH]cc1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001400172275 994234907 /nfs/dbraw/zinc/23/49/07/994234907.db2.gz ZMAJWGADVZWHFL-JTQLQIEISA-N -1 1 302.334 0.972 20 0 DCADMM CNC(=O)CN1CCCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC001598643743 994351988 /nfs/dbraw/zinc/35/19/88/994351988.db2.gz UPCBKHIKUQDWDL-OAHLLOKOSA-N -1 1 323.368 0.705 20 0 DCADMM C[C@H](NCC(=O)N1CCOCC1)c1ccccc1OCC(=O)[O-] ZINC001593230432 994362113 /nfs/dbraw/zinc/36/21/13/994362113.db2.gz IOKVHUCECBXGLB-LBPRGKRZSA-N -1 1 322.361 0.659 20 0 DCADMM COc1cccc(CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)n1 ZINC001599665118 994717638 /nfs/dbraw/zinc/71/76/38/994717638.db2.gz IMCCGBPCOKIIHD-LBPRGKRZSA-N -1 1 321.377 0.640 20 0 DCADMM Cc1nn[nH]c1C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001395562241 994755479 /nfs/dbraw/zinc/75/54/79/994755479.db2.gz RXCLIOIAZONYOU-QMMMGPOBSA-N -1 1 318.337 0.104 20 0 DCADMM CCC[C@@H](CC)C(=O)N(C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001400724750 994844816 /nfs/dbraw/zinc/84/48/16/994844816.db2.gz MKWAEWSENYDWAA-OLZOCXBDSA-N -1 1 323.441 0.967 20 0 DCADMM CC[C@@H](CNC(=O)C[C@H]1CCCCO1)NCc1n[nH]c(=O)[n-]1 ZINC001400792456 994927203 /nfs/dbraw/zinc/92/72/03/994927203.db2.gz HADBWUIHNQLBQM-WDEREUQCSA-N -1 1 311.386 0.454 20 0 DCADMM CC(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001395721618 994934033 /nfs/dbraw/zinc/93/40/33/994934033.db2.gz WPUJHCRNNFCBJT-NSHDSACASA-N -1 1 323.393 0.676 20 0 DCADMM C[C@H](N[C@@H](CO)c1ccc(Cl)cc1)C(=O)NCC(=O)[O-] ZINC001593352861 994969266 /nfs/dbraw/zinc/96/92/66/994969266.db2.gz ICAOVLUJIYRJAH-KWQFWETISA-N -1 1 300.742 0.552 20 0 DCADMM C[C@@H](N[C@@H](CO)c1ccc(Cl)cc1)C(=O)NCC(=O)[O-] ZINC001593352860 994969520 /nfs/dbraw/zinc/96/95/20/994969520.db2.gz ICAOVLUJIYRJAH-KCJUWKMLSA-N -1 1 300.742 0.552 20 0 DCADMM CC(C)OCC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])C[C@H]1C ZINC001395877432 995073295 /nfs/dbraw/zinc/07/32/95/995073295.db2.gz YYFOTBRSYKNIAL-VXGBXAGGSA-N -1 1 321.377 0.931 20 0 DCADMM C[C@@](O)(CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1)C(=O)[O-] ZINC001593395952 995134414 /nfs/dbraw/zinc/13/44/14/995134414.db2.gz CDXLVTNJFFAKCH-RHSMWYFYSA-N -1 1 318.373 0.528 20 0 DCADMM CC(C)(O)CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001396520384 995446785 /nfs/dbraw/zinc/44/67/85/995446785.db2.gz IIWRELNTQVJJSO-PHIMTYICSA-N -1 1 321.377 0.573 20 0 DCADMM Cc1onc(N)c1S(=O)(=O)[N-]C1([C@H]2CCCO2)CCC1 ZINC001464819184 1015952015 /nfs/dbraw/zinc/95/20/15/1015952015.db2.gz JMKOUTMKFWPKIW-SECBINFHSA-N -1 1 301.368 0.945 20 0 DCADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CN1CC[C@H](C)C1 ZINC001598752729 995675788 /nfs/dbraw/zinc/67/57/88/995675788.db2.gz YDMCULHPPCXVPV-SRVKXCTJSA-N -1 1 312.366 0.193 20 0 DCADMM Cc1[nH][nH]c(=O)c1CCNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001464885755 1015968137 /nfs/dbraw/zinc/96/81/37/1015968137.db2.gz FHFCCZBOYYAOCO-SSDOTTSWSA-N -1 1 309.351 0.021 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CC[C@H]1COC(C)(C)O1 ZINC001598779505 995967940 /nfs/dbraw/zinc/96/79/40/995967940.db2.gz RRXZVBMYZOKQES-WOPDTQHZSA-N -1 1 315.366 0.866 20 0 DCADMM C[C@@H](Oc1ccccc1CN1CCn2c(=O)[nH]nc2C1)C(=O)[O-] ZINC001593644972 995968661 /nfs/dbraw/zinc/96/86/61/995968661.db2.gz GAJGQBVMYIVISZ-SNVBAGLBSA-N -1 1 318.333 0.851 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CCn1ccnc1 ZINC001397427009 995990851 /nfs/dbraw/zinc/99/08/51/995990851.db2.gz WZJXWMDQWWBCEY-NSHDSACASA-N -1 1 317.349 0.309 20 0 DCADMM C[C@H](CN(C)C(=O)[C@@H](C)C(F)(F)F)NCc1n[nH]c(=O)[n-]1 ZINC001507112800 1015995082 /nfs/dbraw/zinc/99/50/82/1015995082.db2.gz VZZYJXLQCFQOPS-RNFRBKRXSA-N -1 1 309.292 0.645 20 0 DCADMM COC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)nc2)[C@@H](C(=O)[O-])C1 ZINC001598804557 996172476 /nfs/dbraw/zinc/17/24/76/996172476.db2.gz SMZHSXQKJZGNJP-CHWSQXEVSA-N -1 1 321.377 0.986 20 0 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320.357 0.491 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC000820379557 606163059 /nfs/dbraw/zinc/16/30/59/606163059.db2.gz CYPPGVKCHJELPU-SFYZADRCSA-N -1 1 306.330 0.147 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000820379557 606163061 /nfs/dbraw/zinc/16/30/61/606163061.db2.gz CYPPGVKCHJELPU-SFYZADRCSA-N -1 1 306.330 0.147 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2cccnc2)n1 ZINC000822620581 606167776 /nfs/dbraw/zinc/16/77/76/606167776.db2.gz XPERYZRNCQSWCU-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2cccnc2)n1 ZINC000822620581 606167777 /nfs/dbraw/zinc/16/77/77/606167777.db2.gz XPERYZRNCQSWCU-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM CC[C@H](C[C@@H](C)CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820882328 606169501 /nfs/dbraw/zinc/16/95/01/606169501.db2.gz PJBMSPIFCPBYMG-RKDXNWHRSA-N -1 1 322.373 0.519 20 0 DCADMM CC[C@H](C[C@@H](C)CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820882328 606169502 /nfs/dbraw/zinc/16/95/02/606169502.db2.gz PJBMSPIFCPBYMG-RKDXNWHRSA-N -1 1 322.373 0.519 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCO ZINC000822004109 606183385 /nfs/dbraw/zinc/18/33/85/606183385.db2.gz AKBCWAIAGHMOOD-UHFFFAOYSA-N -1 1 320.353 0.015 20 0 DCADMM Cn1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1=O ZINC000822669955 606298085 /nfs/dbraw/zinc/29/80/85/606298085.db2.gz WIJKYJIAMJZLDJ-UHFFFAOYSA-N -1 1 312.289 0.523 20 0 DCADMM OC[C@H](O)CSc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000823715126 606434888 /nfs/dbraw/zinc/43/48/88/606434888.db2.gz RLSDSIKSYCIDMR-ZETCQYMHSA-N -1 1 304.335 0.255 20 0 DCADMM CNC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821631381 606542749 /nfs/dbraw/zinc/54/27/49/606542749.db2.gz HLGUVUGXCFNMJF-SSDOTTSWSA-N -1 1 306.351 0.279 20 0 DCADMM CNC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821631381 606542750 /nfs/dbraw/zinc/54/27/50/606542750.db2.gz HLGUVUGXCFNMJF-SSDOTTSWSA-N -1 1 306.351 0.279 20 0 DCADMM CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821631445 606558516 /nfs/dbraw/zinc/55/85/16/606558516.db2.gz JHOKMNZXAMZSRX-MRVPVSSYSA-N -1 1 320.378 0.526 20 0 DCADMM CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821631445 606558517 /nfs/dbraw/zinc/55/85/17/606558517.db2.gz JHOKMNZXAMZSRX-MRVPVSSYSA-N -1 1 320.378 0.526 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000820379924 606596745 /nfs/dbraw/zinc/59/67/45/606596745.db2.gz IGQILVCEUXFPKJ-CBAPKCEASA-N -1 1 306.330 0.289 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000820379924 606596747 /nfs/dbraw/zinc/59/67/47/606596747.db2.gz IGQILVCEUXFPKJ-CBAPKCEASA-N -1 1 306.330 0.289 20 0 DCADMM Cn1cc([C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000822670008 606599284 /nfs/dbraw/zinc/59/92/84/606599284.db2.gz XWTSYBAJWXUZMN-MRVPVSSYSA-N -1 1 319.350 0.125 20 0 DCADMM Cn1cc([C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000822670008 606599285 /nfs/dbraw/zinc/59/92/85/606599285.db2.gz XWTSYBAJWXUZMN-MRVPVSSYSA-N -1 1 319.350 0.125 20 0 DCADMM COC(=O)CCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000821660615 606611602 /nfs/dbraw/zinc/61/16/02/606611602.db2.gz XSCPIRJMKXBFRF-UHFFFAOYSA-N -1 1 317.353 0.826 20 0 DCADMM COC(=O)CCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000821660615 606611604 /nfs/dbraw/zinc/61/16/04/606611604.db2.gz XSCPIRJMKXBFRF-UHFFFAOYSA-N -1 1 317.353 0.826 20 0 DCADMM NC(=O)NCCCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822874216 606652983 /nfs/dbraw/zinc/65/29/83/606652983.db2.gz UZSQNERNKFGXBU-UHFFFAOYSA-N -1 1 319.325 0.144 20 0 DCADMM NC(=O)NCCCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822874216 606652984 /nfs/dbraw/zinc/65/29/84/606652984.db2.gz UZSQNERNKFGXBU-UHFFFAOYSA-N -1 1 319.325 0.144 20 0 DCADMM CCN(CC)C(=O)CCC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821175276 606684326 /nfs/dbraw/zinc/68/43/26/606684326.db2.gz JIMITNHGOJTBPA-UHFFFAOYSA-N -1 1 320.357 0.187 20 0 DCADMM CCN(CC)C(=O)CCC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821175276 606684327 /nfs/dbraw/zinc/68/43/27/606684327.db2.gz JIMITNHGOJTBPA-UHFFFAOYSA-N -1 1 320.357 0.187 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H]2CCC[C@@H]21 ZINC000823600056 606873824 /nfs/dbraw/zinc/87/38/24/606873824.db2.gz CEGJCEHQFIGNLU-KWQFWETISA-N -1 1 306.351 0.435 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H]2CCC[C@@H]21 ZINC000823600056 606873826 /nfs/dbraw/zinc/87/38/26/606873826.db2.gz CEGJCEHQFIGNLU-KWQFWETISA-N -1 1 306.351 0.435 20 0 DCADMM FCCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822737210 607059492 /nfs/dbraw/zinc/05/94/92/607059492.db2.gz QMVZKLIFJGBGAE-UHFFFAOYSA-N -1 1 307.333 0.824 20 0 DCADMM COc1ccccc1N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821898407 607208997 /nfs/dbraw/zinc/20/89/97/607208997.db2.gz OFTGNBQDCNCTCY-UHFFFAOYSA-N -1 1 314.309 0.130 20 0 DCADMM CC1CCC(C)(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820683909 607212425 /nfs/dbraw/zinc/21/24/25/607212425.db2.gz JMAZUHCJHJVKPW-UHFFFAOYSA-N -1 1 304.358 0.543 20 0 DCADMM CN(CCC1CCCCC1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821598971 607212727 /nfs/dbraw/zinc/21/27/27/607212727.db2.gz AOJJTBMVTCCWSK-UHFFFAOYSA-N -1 1 318.385 0.887 20 0 DCADMM Cc1csc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000822408396 607213580 /nfs/dbraw/zinc/21/35/80/607213580.db2.gz CSRQHYALFYWXEI-SSDOTTSWSA-N -1 1 319.354 0.101 20 0 DCADMM C[C@@H]1CCC[C@@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820697386 607217501 /nfs/dbraw/zinc/21/75/01/607217501.db2.gz GQYIDFSEIQQVQS-MNOVXSKESA-N -1 1 318.385 0.791 20 0 DCADMM CC[C@@H]1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820972062 607218912 /nfs/dbraw/zinc/21/89/12/607218912.db2.gz KBXPHQJSEFUXSQ-NXEZZACHSA-N -1 1 304.358 0.543 20 0 DCADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H]1c1ccccc1 ZINC000820736166 607220085 /nfs/dbraw/zinc/22/00/85/607220085.db2.gz XWCFMSXJPSDREZ-ZWNOBZJWSA-N -1 1 324.348 0.678 20 0 DCADMM C[C@@H]1c2ccccc2CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820827900 607220838 /nfs/dbraw/zinc/22/08/38/607220838.db2.gz YRAVUYLXZLXTBC-SECBINFHSA-N -1 1 310.321 0.562 20 0 DCADMM C[C@@H]1OCC[C@H]1S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825022592 607814025 /nfs/dbraw/zinc/81/40/25/607814025.db2.gz YUVQCHRCJSZFQO-GZMMTYOYSA-N -1 1 309.351 0.354 20 0 DCADMM C[C@@H]1OCC[C@H]1S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825022592 607814026 /nfs/dbraw/zinc/81/40/26/607814026.db2.gz YUVQCHRCJSZFQO-GZMMTYOYSA-N -1 1 309.351 0.354 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCOC(C)(C)C2)n1 ZINC000826357170 607835205 /nfs/dbraw/zinc/83/52/05/607835205.db2.gz UHMXQPPZMGQQKI-QMMMGPOBSA-N -1 1 320.357 0.679 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCOC(C)(C)C2)n1 ZINC000826357170 607835206 /nfs/dbraw/zinc/83/52/06/607835206.db2.gz UHMXQPPZMGQQKI-QMMMGPOBSA-N -1 1 320.357 0.679 20 0 DCADMM CN(c1cc(-c2nnn[n-]2)nc2ccccc21)[C@H]1CCNC1=O ZINC000826004242 607969784 /nfs/dbraw/zinc/96/97/84/607969784.db2.gz PHKZMFBSRDGHNJ-LBPRGKRZSA-N -1 1 309.333 0.740 20 0 DCADMM CN(c1cc(-c2nn[n-]n2)nc2ccccc21)[C@H]1CCNC1=O ZINC000826004242 607969785 /nfs/dbraw/zinc/96/97/85/607969785.db2.gz PHKZMFBSRDGHNJ-LBPRGKRZSA-N -1 1 309.333 0.740 20 0 DCADMM Cc1cc(NC(=O)CN(C)c2ccc(-c3nnn[n-]3)nn2)no1 ZINC000826269730 607989221 /nfs/dbraw/zinc/98/92/21/607989221.db2.gz VIZZAWIGUILGKZ-UHFFFAOYSA-N -1 1 315.297 0.028 20 0 DCADMM Cc1cc(NC(=O)CN(C)c2ccc(-c3nn[n-]n3)nn2)no1 ZINC000826269730 607989222 /nfs/dbraw/zinc/98/92/22/607989222.db2.gz VIZZAWIGUILGKZ-UHFFFAOYSA-N -1 1 315.297 0.028 20 0 DCADMM Cc1noc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC000826339457 607989951 /nfs/dbraw/zinc/98/99/51/607989951.db2.gz FMVWKIJCDKLUFK-SECBINFHSA-N -1 1 313.325 0.732 20 0 DCADMM Cc1noc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC000826339457 607989952 /nfs/dbraw/zinc/98/99/52/607989952.db2.gz FMVWKIJCDKLUFK-SECBINFHSA-N -1 1 313.325 0.732 20 0 DCADMM O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429678 607993744 /nfs/dbraw/zinc/99/37/44/607993744.db2.gz JUTPMBGPBMPWDF-QWRGUYRKSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429678 607993745 /nfs/dbraw/zinc/99/37/45/607993745.db2.gz JUTPMBGPBMPWDF-QWRGUYRKSA-N -1 1 302.338 0.543 20 0 DCADMM O=c1c2c(ncn1Cc1ccnc(-c3nnn[n-]3)c1)CCCC2 ZINC000826501528 608023986 /nfs/dbraw/zinc/02/39/86/608023986.db2.gz UTQVRDZHWHYFRC-UHFFFAOYSA-N -1 1 309.333 0.746 20 0 DCADMM O=c1c2c(ncn1Cc1ccnc(-c3nn[n-]n3)c1)CCCC2 ZINC000826501528 608023987 /nfs/dbraw/zinc/02/39/87/608023987.db2.gz UTQVRDZHWHYFRC-UHFFFAOYSA-N -1 1 309.333 0.746 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CSCC(F)(F)F)n1 ZINC000826357242 608066701 /nfs/dbraw/zinc/06/67/01/608066701.db2.gz XHUUVWUSMKARKP-UHFFFAOYSA-N -1 1 321.288 0.834 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CSCC(F)(F)F)n1 ZINC000826357242 608066702 /nfs/dbraw/zinc/06/67/02/608066702.db2.gz XHUUVWUSMKARKP-UHFFFAOYSA-N -1 1 321.288 0.834 20 0 DCADMM CC(C)(C)C[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824078351 608163090 /nfs/dbraw/zinc/16/30/90/608163090.db2.gz IDQLCTNPNYDABI-SNVBAGLBSA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(C)C[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824078351 608163092 /nfs/dbraw/zinc/16/30/92/608163092.db2.gz IDQLCTNPNYDABI-SNVBAGLBSA-N -1 1 304.354 0.789 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1NCc1nnc2n1CCCCC2 ZINC000826515288 608392778 /nfs/dbraw/zinc/39/27/78/608392778.db2.gz UELOYTLXVOZWBP-UHFFFAOYSA-N -1 1 312.341 0.587 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1NCc1nnc2n1CCCCC2 ZINC000826515288 608392780 /nfs/dbraw/zinc/39/27/80/608392780.db2.gz UELOYTLXVOZWBP-UHFFFAOYSA-N -1 1 312.341 0.587 20 0 DCADMM c1cc(N2CCC(O[C@H]3CCOC3)CC2)nnc1-c1nnn[n-]1 ZINC000826516329 608429900 /nfs/dbraw/zinc/42/99/00/608429900.db2.gz HFSHLXRZTVNUID-NSHDSACASA-N -1 1 317.353 0.431 20 0 DCADMM c1cc(N2CCC(O[C@H]3CCOC3)CC2)nnc1-c1nn[n-]n1 ZINC000826516329 608429901 /nfs/dbraw/zinc/42/99/01/608429901.db2.gz HFSHLXRZTVNUID-NSHDSACASA-N -1 1 317.353 0.431 20 0 DCADMM c1cncc(O[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC000826526137 608434080 /nfs/dbraw/zinc/43/40/80/608434080.db2.gz MIIBJKWERQRNPN-NSHDSACASA-N -1 1 310.321 0.709 20 0 DCADMM c1cncc(O[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC000826526137 608434082 /nfs/dbraw/zinc/43/40/82/608434082.db2.gz MIIBJKWERQRNPN-NSHDSACASA-N -1 1 310.321 0.709 20 0 DCADMM CCN(CC)C(=O)CN(C)c1nc(-c2nnn[n-]2)ccc1C ZINC000825405743 608540204 /nfs/dbraw/zinc/54/02/04/608540204.db2.gz DRLFAGNLSRRSSB-UHFFFAOYSA-N -1 1 303.370 0.875 20 0 DCADMM CCN(CC)C(=O)CN(C)c1nc(-c2nn[n-]n2)ccc1C ZINC000825405743 608540206 /nfs/dbraw/zinc/54/02/06/608540206.db2.gz DRLFAGNLSRRSSB-UHFFFAOYSA-N -1 1 303.370 0.875 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CC1(C)C ZINC000825923252 608560325 /nfs/dbraw/zinc/56/03/25/608560325.db2.gz DKVSHJSQDGWGKS-MRVPVSSYSA-N -1 1 318.385 0.609 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CC1(C)C ZINC000825923252 608560327 /nfs/dbraw/zinc/56/03/27/608560327.db2.gz DKVSHJSQDGWGKS-MRVPVSSYSA-N -1 1 318.385 0.609 20 0 DCADMM C[C@@H](O)CN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824707726 608566794 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20 0 DCADMM C[C@H](CCCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC1 ZINC001574580374 1163732434 /nfs/dbraw/zinc/73/24/34/1163732434.db2.gz XULHMKOBDNINJJ-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574839655 1163765751 /nfs/dbraw/zinc/76/57/51/1163765751.db2.gz FPFFFIWMJJBKOE-LDYMZIIASA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574839655 1163765759 /nfs/dbraw/zinc/76/57/59/1163765759.db2.gz FPFFFIWMJJBKOE-LDYMZIIASA-N -1 1 322.348 0.567 20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574846275 1163769299 /nfs/dbraw/zinc/76/92/99/1163769299.db2.gz MPHRHMSWMMEHGK-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574846275 1163769306 /nfs/dbraw/zinc/76/93/06/1163769306.db2.gz MPHRHMSWMMEHGK-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC12CC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574863167 1163776854 /nfs/dbraw/zinc/77/68/54/1163776854.db2.gz XRBNGVGYPNYFCF-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC12CC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574863167 1163776860 /nfs/dbraw/zinc/77/68/60/1163776860.db2.gz XRBNGVGYPNYFCF-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCCNC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccoc1 ZINC001574874215 1163781434 /nfs/dbraw/zinc/78/14/34/1163781434.db2.gz NNLZSKNKQADAGR-UHFFFAOYSA-N -1 1 316.317 0.812 20 0 DCADMM O=C([O-])c1cc(NC(=O)C2CCC(N3CCOCC3)CC2)[nH]n1 ZINC001574949604 1163813825 /nfs/dbraw/zinc/81/38/25/1163813825.db2.gz WYJKMNZEOBIQPF-UHFFFAOYSA-N -1 1 322.365 0.937 20 0 DCADMM C[C@H](CC(F)F)C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001575059569 1163873062 /nfs/dbraw/zinc/87/30/62/1163873062.db2.gz UHDURDHXTORUGC-MRVPVSSYSA-N -1 1 301.293 0.925 20 0 DCADMM CCc1nnsc1C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001575060013 1163874043 /nfs/dbraw/zinc/87/40/43/1163874043.db2.gz XSBYXJQCIAACQH-UHFFFAOYSA-N -1 1 321.362 0.361 20 0 DCADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CC1 ZINC001575939778 1164190059 /nfs/dbraw/zinc/19/00/59/1164190059.db2.gz SDCUARJDEDQITF-WCBMZHEXSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CC1 ZINC001575939778 1164190063 /nfs/dbraw/zinc/19/00/63/1164190063.db2.gz SDCUARJDEDQITF-WCBMZHEXSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)Cc2cncnc21 ZINC001576311374 1164299296 /nfs/dbraw/zinc/29/92/96/1164299296.db2.gz DKSREPVEFWHXPH-VIFPVBQESA-N -1 1 322.332 0.811 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)Cc2cncnc21 ZINC001576311374 1164299303 /nfs/dbraw/zinc/29/93/03/1164299303.db2.gz DKSREPVEFWHXPH-VIFPVBQESA-N -1 1 322.332 0.811 20 0 DCADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCN1c1cnccn1 ZINC001576367284 1164316355 /nfs/dbraw/zinc/31/63/55/1164316355.db2.gz YQTXNBRWPPWXBA-SNVBAGLBSA-N -1 1 324.352 0.162 20 0 DCADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCN1c1cnccn1 ZINC001576367284 1164316357 /nfs/dbraw/zinc/31/63/57/1164316357.db2.gz YQTXNBRWPPWXBA-SNVBAGLBSA-N -1 1 324.352 0.162 20 0 DCADMM C/C=C(\C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001576401149 1164326228 /nfs/dbraw/zinc/32/62/28/1164326228.db2.gz LOYAVUXSZHVZTJ-YCRREMRBSA-N -1 1 314.353 0.684 20 0 DCADMM C/C=C(\C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001576401149 1164326234 /nfs/dbraw/zinc/32/62/34/1164326234.db2.gz LOYAVUXSZHVZTJ-YCRREMRBSA-N -1 1 314.353 0.684 20 0 DCADMM CCC(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576415070 1164333812 /nfs/dbraw/zinc/33/38/12/1164333812.db2.gz IUURSHHFOJOFFK-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CCC(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576415070 1164333822 /nfs/dbraw/zinc/33/38/22/1164333822.db2.gz IUURSHHFOJOFFK-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576420256 1164338913 /nfs/dbraw/zinc/33/89/13/1164338913.db2.gz OEVGALZJYQHBFI-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576420256 1164338919 /nfs/dbraw/zinc/33/89/19/1164338919.db2.gz OEVGALZJYQHBFI-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576445047 1164348608 /nfs/dbraw/zinc/34/86/08/1164348608.db2.gz NKLUMMCECBVYBF-ZJUUUORDSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576445047 1164348615 /nfs/dbraw/zinc/34/86/15/1164348615.db2.gz NKLUMMCECBVYBF-ZJUUUORDSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576445271 1164348708 /nfs/dbraw/zinc/34/87/08/1164348708.db2.gz QIBKKMWQBWSZBJ-ZJUUUORDSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576445271 1164348712 /nfs/dbraw/zinc/34/87/12/1164348712.db2.gz QIBKKMWQBWSZBJ-ZJUUUORDSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001576477790 1164358848 /nfs/dbraw/zinc/35/88/48/1164358848.db2.gz PRTYJPHURCCXIN-VXNVDRBHSA-N -1 1 321.410 0.983 20 0 DCADMM CCC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576487132 1164364035 /nfs/dbraw/zinc/36/40/35/1164364035.db2.gz MRAIIJSKCNBHHZ-VIFPVBQESA-N -1 1 302.342 0.009 20 0 DCADMM CC/C(C)=C/C(=O)NC[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001576567088 1164396562 /nfs/dbraw/zinc/39/65/62/1164396562.db2.gz WUQPEZNOPRIFPD-CYNRKNSPSA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@@H](C)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576572296 1164399228 /nfs/dbraw/zinc/39/92/28/1164399228.db2.gz MSIKYGIUAGEBPY-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@@H](C)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576572296 1164399234 /nfs/dbraw/zinc/39/92/34/1164399234.db2.gz MSIKYGIUAGEBPY-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@H](CNC(=O)[C@@H](C)CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576774392 1164459566 /nfs/dbraw/zinc/45/95/66/1164459566.db2.gz MIVONGIMXWTKBZ-VHSXEESVSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@H](CNC(=O)CC1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576800928 1164468480 /nfs/dbraw/zinc/46/84/80/1164468480.db2.gz CTZIGQCMIRGKTC-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)CC1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576800928 1164468483 /nfs/dbraw/zinc/46/84/83/1164468483.db2.gz CTZIGQCMIRGKTC-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM COC(=O)[C@H](Cc1c[nH]nn1)NC(=O)c1cc(Cl)ccc1O ZINC001576912979 1164530505 /nfs/dbraw/zinc/53/05/05/1164530505.db2.gz JVHWCDXEQTYVAM-JTQLQIEISA-N -1 1 324.724 0.678 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576937666 1164544748 /nfs/dbraw/zinc/54/47/48/1164544748.db2.gz WKZLMTWBUNUHAG-DTWKUNHWSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576937666 1164544754 /nfs/dbraw/zinc/54/47/54/1164544754.db2.gz WKZLMTWBUNUHAG-DTWKUNHWSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576951839 1164551738 /nfs/dbraw/zinc/55/17/38/1164551738.db2.gz BXWNOYINTLALOD-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576951839 1164551744 /nfs/dbraw/zinc/55/17/44/1164551744.db2.gz BXWNOYINTLALOD-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576952654 1164553067 /nfs/dbraw/zinc/55/30/67/1164553067.db2.gz DBYWGNAAUUZWIE-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576954906 1164555057 /nfs/dbraw/zinc/55/50/57/1164555057.db2.gz WDOJGZGWDOFLHG-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576954906 1164555062 /nfs/dbraw/zinc/55/50/62/1164555062.db2.gz WDOJGZGWDOFLHG-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CCCC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577216826 1164637562 /nfs/dbraw/zinc/63/75/62/1164637562.db2.gz ZCHQRPQUKCQPLV-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577216826 1164637570 /nfs/dbraw/zinc/63/75/70/1164637570.db2.gz ZCHQRPQUKCQPLV-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577216024 1164638387 /nfs/dbraw/zinc/63/83/87/1164638387.db2.gz LMIKIJTZTSSLCX-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577216024 1164638392 /nfs/dbraw/zinc/63/83/92/1164638392.db2.gz LMIKIJTZTSSLCX-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCC[C@H](C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001577278999 1164658381 /nfs/dbraw/zinc/65/83/81/1164658381.db2.gz UXQGOLWSNPTKEJ-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CCC[C@H](C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001577278999 1164658384 /nfs/dbraw/zinc/65/83/84/1164658384.db2.gz UXQGOLWSNPTKEJ-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CCCCC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001577407152 1164686553 /nfs/dbraw/zinc/68/65/53/1164686553.db2.gz VOXSTDJWLZENPU-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCCC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001577417204 1164688956 /nfs/dbraw/zinc/68/89/56/1164688956.db2.gz OIJZRWGKGFLIMK-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001577417204 1164688972 /nfs/dbraw/zinc/68/89/72/1164688972.db2.gz OIJZRWGKGFLIMK-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCN(CCNC(=O)C(C)(C)F)c1cncc(-c2nnn[n-]2)n1 ZINC001577924165 1164843104 /nfs/dbraw/zinc/84/31/04/1164843104.db2.gz VQHDLVUUVCPMMR-UHFFFAOYSA-N -1 1 322.348 0.347 20 0 DCADMM CCN(CCNC(=O)C(C)(C)F)c1cncc(-c2nn[n-]n2)n1 ZINC001577924165 1164843114 /nfs/dbraw/zinc/84/31/14/1164843114.db2.gz VQHDLVUUVCPMMR-UHFFFAOYSA-N -1 1 322.348 0.347 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@@H]1C)c1nccnc1-c1nnn[n-]1 ZINC001577941979 1164853223 /nfs/dbraw/zinc/85/32/23/1164853223.db2.gz RJHYAILENFNNED-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@@H]1C)c1nccnc1-c1nn[n-]n1 ZINC001577941979 1164853227 /nfs/dbraw/zinc/85/32/27/1164853227.db2.gz RJHYAILENFNNED-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)C1CCC1 ZINC001578124245 1164929803 /nfs/dbraw/zinc/92/98/03/1164929803.db2.gz UVHCGXBZXUMKNF-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)C1CCC1 ZINC001578124245 1164929809 /nfs/dbraw/zinc/92/98/09/1164929809.db2.gz UVHCGXBZXUMKNF-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)CC1CC1 ZINC001578131343 1164930682 /nfs/dbraw/zinc/93/06/82/1164930682.db2.gz IVMHIIJCDIOJIZ-UHFFFAOYSA-N -1 1 316.369 0.139 20 0 DCADMM CCN(CCNc1nccnc1-c1nnn[n-]1)C(=O)[C@@H]1C[C@@H]1C ZINC001578165709 1164941424 /nfs/dbraw/zinc/94/14/24/1164941424.db2.gz SQIOCSALKBQKHP-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1nccnc1-c1nn[n-]n1)C(=O)[C@@H]1C[C@@H]1C ZINC001578165709 1164941430 /nfs/dbraw/zinc/94/14/30/1164941430.db2.gz SQIOCSALKBQKHP-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM CCOc1ncccc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001578408409 1165003185 /nfs/dbraw/zinc/00/31/85/1165003185.db2.gz QYFBSDKIZUPMRK-UHFFFAOYSA-N -1 1 314.309 0.646 20 0 DCADMM CCOc1ncccc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001578408409 1165003191 /nfs/dbraw/zinc/00/31/91/1165003191.db2.gz QYFBSDKIZUPMRK-UHFFFAOYSA-N -1 1 314.309 0.646 20 0 DCADMM CCc1nc(N[C@H](C)CNC(=O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001578626802 1165071845 /nfs/dbraw/zinc/07/18/45/1165071845.db2.gz RIHKPJZUKVNGPK-SECBINFHSA-N -1 1 318.385 0.792 20 0 DCADMM CCc1nc(N[C@H](C)CNC(=O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001578626802 1165071850 /nfs/dbraw/zinc/07/18/50/1165071850.db2.gz RIHKPJZUKVNGPK-SECBINFHSA-N -1 1 318.385 0.792 20 0 DCADMM CCc1nc(N[C@@H]2CCN(C(C)=O)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001578647139 1165077654 /nfs/dbraw/zinc/07/76/54/1165077654.db2.gz YDBZWBJCJHSZQV-PSASIEDQSA-N -1 1 316.369 0.640 20 0 DCADMM CCc1nc(N[C@@H]2CCN(C(C)=O)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001578647139 1165077660 /nfs/dbraw/zinc/07/76/60/1165077660.db2.gz YDBZWBJCJHSZQV-PSASIEDQSA-N -1 1 316.369 0.640 20 0 DCADMM CCc1nc(NCCN(C)C(=O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001578660929 1165082282 /nfs/dbraw/zinc/08/22/82/1165082282.db2.gz XHVZTWUOBZMDIH-UHFFFAOYSA-N -1 1 318.385 0.745 20 0 DCADMM CCc1nc(NCCN(C)C(=O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001578660929 1165082285 /nfs/dbraw/zinc/08/22/85/1165082285.db2.gz XHVZTWUOBZMDIH-UHFFFAOYSA-N -1 1 318.385 0.745 20 0 DCADMM CCc1[nH]c(=O)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1C ZINC001578677210 1165085464 /nfs/dbraw/zinc/08/54/64/1165085464.db2.gz GJXMVRIKPOAVSR-UHFFFAOYSA-N -1 1 314.309 0.305 20 0 DCADMM CN(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ncn1 ZINC001578997240 1165181629 /nfs/dbraw/zinc/18/16/29/1165181629.db2.gz ZBQBAEKJGSEMHQ-UHFFFAOYSA-N -1 1 311.309 0.370 20 0 DCADMM CN(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ncn1 ZINC001578997240 1165181641 /nfs/dbraw/zinc/18/16/41/1165181641.db2.gz ZBQBAEKJGSEMHQ-UHFFFAOYSA-N -1 1 311.309 0.370 20 0 DCADMM CN(CCNC(=O)[C@H]1CC1(C)C)c1nccnc1-c1nnn[n-]1 ZINC001579166504 1165228626 /nfs/dbraw/zinc/22/86/26/1165228626.db2.gz GAUHVASYHDIGCJ-SECBINFHSA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNC(=O)[C@H]1CC1(C)C)c1nccnc1-c1nn[n-]n1 ZINC001579166504 1165228632 /nfs/dbraw/zinc/22/86/32/1165228632.db2.gz GAUHVASYHDIGCJ-SECBINFHSA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNC(=O)C1CCCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001579169753 1165230869 /nfs/dbraw/zinc/23/08/69/1165230869.db2.gz SPGBKTKIOCQJAE-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)c1ccoc1)c1ccnc(-c2nn[n-]n2)n1 ZINC001579201133 1165237147 /nfs/dbraw/zinc/23/71/47/1165237147.db2.gz FATRYFSHANYOTM-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CNC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001579402919 1165299468 /nfs/dbraw/zinc/29/94/68/1165299468.db2.gz QUDSRKRWNDNHNQ-SNVBAGLBSA-N -1 1 319.344 0.509 20 0 DCADMM COC(=O)c1cc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)on1 ZINC001579479165 1165326675 /nfs/dbraw/zinc/32/66/75/1165326675.db2.gz FSMBMDYXICVABL-UHFFFAOYSA-N -1 1 316.277 0.160 20 0 DCADMM COC(=O)c1csc(Cn2cccc(-c3nn[n-]n3)c2=O)n1 ZINC001579491275 1165330151 /nfs/dbraw/zinc/33/01/51/1165330151.db2.gz DYZJQYDVKFICFE-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM COC(=O)c1coc(CNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001579491502 1165331097 /nfs/dbraw/zinc/33/10/97/1165331097.db2.gz GLFGTUKVAIKEOG-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1coc(CNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001579491502 1165331105 /nfs/dbraw/zinc/33/11/05/1165331105.db2.gz GLFGTUKVAIKEOG-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1sccc1Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001579493273 1165332672 /nfs/dbraw/zinc/33/26/72/1165332672.db2.gz MDMNDKWNZAEKER-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCN[C@@H](C)C3)cc2=O)n1 ZINC001579587718 1165353364 /nfs/dbraw/zinc/35/33/64/1165353364.db2.gz SAYUBVFSKNBPMP-NSHDSACASA-N -1 1 316.365 0.006 20 0 DCADMM CO[C@H]1CC[C@@H]1N(C)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001579614234 1165358847 /nfs/dbraw/zinc/35/88/47/1165358847.db2.gz DGQBCSNGWOXYGH-UWVGGRQHSA-N -1 1 318.337 0.525 20 0 DCADMM COCc1ccnc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001579836986 1165405982 /nfs/dbraw/zinc/40/59/82/1165405982.db2.gz SHUNFONUQLTAGL-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM CON(C)C(=O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001579848494 1165410286 /nfs/dbraw/zinc/41/02/86/1165410286.db2.gz XCEFQZWLRICHQB-UHFFFAOYSA-N -1 1 314.309 0.242 20 0 DCADMM CON(C)C(=O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001579848494 1165410291 /nfs/dbraw/zinc/41/02/91/1165410291.db2.gz XCEFQZWLRICHQB-UHFFFAOYSA-N -1 1 314.309 0.242 20 0 DCADMM COc1cncnc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001580114298 1165508979 /nfs/dbraw/zinc/50/89/79/1165508979.db2.gz GMVWGJVLSZQCDX-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1ncc(NC(=O)NC[C@@H](O)C(C)C)cc1-c1nn[n-]n1 ZINC001580137646 1165516290 /nfs/dbraw/zinc/51/62/90/1165516290.db2.gz ZQOVENCQMXJQSZ-SNVBAGLBSA-N -1 1 321.341 0.409 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001580188731 1165531503 /nfs/dbraw/zinc/53/15/03/1165531503.db2.gz ZGUPVHSRHPQKEM-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001580188731 1165531508 /nfs/dbraw/zinc/53/15/08/1165531508.db2.gz ZGUPVHSRHPQKEM-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CCNC(=O)C1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001580243669 1165546691 /nfs/dbraw/zinc/54/66/91/1165546691.db2.gz PCHYXBGXHBNKPL-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNC(=O)C1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001580243669 1165546697 /nfs/dbraw/zinc/54/66/97/1165546697.db2.gz PCHYXBGXHBNKPL-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CC=CC1 ZINC001580295549 1165561017 /nfs/dbraw/zinc/56/10/17/1165561017.db2.gz RBGFQNHQYDSUFB-VIFPVBQESA-N -1 1 314.353 0.540 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CC=CC1 ZINC001580295549 1165561022 /nfs/dbraw/zinc/56/10/22/1165561022.db2.gz RBGFQNHQYDSUFB-VIFPVBQESA-N -1 1 314.353 0.540 20 0 DCADMM C[C@@H]1CC[C@H](O)CN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001580316029 1165569173 /nfs/dbraw/zinc/56/91/73/1165569173.db2.gz OQWZHLCQZWLVIA-SFYZADRCSA-N -1 1 323.382 0.378 20 0 DCADMM C[C@@H]1CC[C@H](O)CN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001580316029 1165569176 /nfs/dbraw/zinc/56/91/76/1165569176.db2.gz OQWZHLCQZWLVIA-SFYZADRCSA-N -1 1 323.382 0.378 20 0 DCADMM C[C@]12CN(c3cccc(-c4nnn[n-]4)n3)C[C@H]1CS(=O)(=O)C2 ZINC001580460691 1165607015 /nfs/dbraw/zinc/60/70/15/1165607015.db2.gz IAFRNXHHCPWZQN-TVQRCGJNSA-N -1 1 320.378 0.133 20 0 DCADMM C[C@]12CN(c3cccc(-c4nn[n-]n4)n3)C[C@H]1CS(=O)(=O)C2 ZINC001580460691 1165607020 /nfs/dbraw/zinc/60/70/20/1165607020.db2.gz IAFRNXHHCPWZQN-TVQRCGJNSA-N -1 1 320.378 0.133 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2ccccc2F)c(=O)n1C ZINC001580521854 1165629831 /nfs/dbraw/zinc/62/98/31/1165629831.db2.gz AJNQCFHSDMWCIY-UHFFFAOYSA-N -1 1 316.296 0.223 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@H]1NCCc2occc21 ZINC001580595051 1165648412 /nfs/dbraw/zinc/64/84/12/1165648412.db2.gz XWRQTAARZJZYQI-KBPBESRZSA-N -1 1 324.344 0.885 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@@H](O)CC1 ZINC001580598539 1165649742 /nfs/dbraw/zinc/64/97/42/1165649742.db2.gz YWQRWCXAHKPHFI-SECBINFHSA-N -1 1 318.337 0.263 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H]1CCCCO1 ZINC001580604999 1165654254 /nfs/dbraw/zinc/65/42/54/1165654254.db2.gz VUGUPAQPWMZFBZ-SECBINFHSA-N -1 1 318.337 0.575 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC(=O)Nc2ccccc2)c1 ZINC001580608953 1165655618 /nfs/dbraw/zinc/65/56/18/1165655618.db2.gz OBDICHBINKHSTH-UHFFFAOYSA-N -1 1 310.317 0.976 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)C2(C)CC2)n1 ZINC001580694783 1165689617 /nfs/dbraw/zinc/68/96/17/1165689617.db2.gz FBWQHQFGBBIBHP-SECBINFHSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)C2(C)CC2)n1 ZINC001580694783 1165689624 /nfs/dbraw/zinc/68/96/24/1165689624.db2.gz FBWQHQFGBBIBHP-SECBINFHSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)NC(=O)CCCF)n1 ZINC001580750507 1165709719 /nfs/dbraw/zinc/70/97/19/1165709719.db2.gz UGEREFYRKHIODH-VIFPVBQESA-N -1 1 322.348 0.631 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)NC(=O)CCCF)n1 ZINC001580750507 1165709727 /nfs/dbraw/zinc/70/97/27/1165709727.db2.gz UGEREFYRKHIODH-VIFPVBQESA-N -1 1 322.348 0.631 20 0 DCADMM Cc1ccc(C(=O)NCCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001581170670 1165792130 /nfs/dbraw/zinc/79/21/30/1165792130.db2.gz RIRWAMFEJDMOPI-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1ccc(C(=O)NCCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001581170670 1165792137 /nfs/dbraw/zinc/79/21/37/1165792137.db2.gz RIRWAMFEJDMOPI-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2CCCn3ncnc32)c1-c1nn[n-]n1 ZINC001581402756 1165821054 /nfs/dbraw/zinc/82/10/54/1165821054.db2.gz IZMPOEYAIPFJPJ-ZETCQYMHSA-N -1 1 314.313 0.006 20 0 DCADMM Cc1n[nH]cc1CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581403462 1165822348 /nfs/dbraw/zinc/82/23/48/1165822348.db2.gz NOWKCDKZSCTABL-UHFFFAOYSA-N -1 1 319.354 0.354 20 0 DCADMM Cc1n[nH]cc1CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581403462 1165822352 /nfs/dbraw/zinc/82/23/52/1165822352.db2.gz NOWKCDKZSCTABL-UHFFFAOYSA-N -1 1 319.354 0.354 20 0 DCADMM Cc1nc(N[C@@H]2Cc3ccccc3NC2=O)cc(-c2nnn[n-]2)n1 ZINC001581506103 1165836228 /nfs/dbraw/zinc/83/62/28/1165836228.db2.gz MOZKTXDPFSTEJO-GFCCVEGCSA-N -1 1 322.332 0.940 20 0 DCADMM Cc1nc(N[C@@H]2Cc3ccccc3NC2=O)cc(-c2nn[n-]n2)n1 ZINC001581506103 1165836241 /nfs/dbraw/zinc/83/62/41/1165836241.db2.gz MOZKTXDPFSTEJO-GFCCVEGCSA-N -1 1 322.332 0.940 20 0 DCADMM Cc1nc(NC[C@H]2CCCN(C(N)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001581516278 1165836737 /nfs/dbraw/zinc/83/67/37/1165836737.db2.gz QXVHESMWKGYOHZ-SECBINFHSA-N -1 1 317.357 0.168 20 0 DCADMM Cc1nc(NC[C@H]2CCCN(C(N)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001581516278 1165836746 /nfs/dbraw/zinc/83/67/46/1165836746.db2.gz QXVHESMWKGYOHZ-SECBINFHSA-N -1 1 317.357 0.168 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1-c1nnn[n-]1 ZINC001581593521 1165846283 /nfs/dbraw/zinc/84/62/83/1165846283.db2.gz GYHXCOKUVRGYJZ-BIIVNPBRSA-N -1 1 315.337 0.271 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1-c1nn[n-]n1 ZINC001581593521 1165846297 /nfs/dbraw/zinc/84/62/97/1165846297.db2.gz GYHXCOKUVRGYJZ-BIIVNPBRSA-N -1 1 315.337 0.271 20 0 DCADMM Cc1nsc(NC(=O)N2C[C@@H]3C[C@]3(CO)C2)c1-c1nnn[n-]1 ZINC001581685012 1165858387 /nfs/dbraw/zinc/85/83/87/1165858387.db2.gz FDOZFJLUPZADRD-JVXZTZIISA-N -1 1 321.366 0.478 20 0 DCADMM Cc1nsc(NC(=O)N2C[C@@H]3C[C@]3(CO)C2)c1-c1nn[n-]n1 ZINC001581685012 1165858395 /nfs/dbraw/zinc/85/83/95/1165858395.db2.gz FDOZFJLUPZADRD-JVXZTZIISA-N -1 1 321.366 0.478 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)n1 ZINC001581754482 1165868674 /nfs/dbraw/zinc/86/86/74/1165868674.db2.gz VSNWGQCGZCMLPA-INEUFUBQSA-N -1 1 301.232 0.737 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)n1 ZINC001581754482 1165868679 /nfs/dbraw/zinc/86/86/79/1165868679.db2.gz VSNWGQCGZCMLPA-INEUFUBQSA-N -1 1 301.232 0.737 20 0 DCADMM NC(=O)c1ccc(F)c(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001581904454 1165905968 /nfs/dbraw/zinc/90/59/68/1165905968.db2.gz FZRPMSDDKCQRSE-UHFFFAOYSA-N -1 1 316.252 0.950 20 0 DCADMM NC(=O)c1ccc(F)c(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001581904454 1165905977 /nfs/dbraw/zinc/90/59/77/1165905977.db2.gz FZRPMSDDKCQRSE-UHFFFAOYSA-N -1 1 316.252 0.950 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(F)c1 ZINC001581904791 1165909121 /nfs/dbraw/zinc/90/91/21/1165909121.db2.gz YIGMLGBTCWETIW-UHFFFAOYSA-N -1 1 316.252 0.950 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(F)c1 ZINC001581904791 1165909125 /nfs/dbraw/zinc/90/91/25/1165909125.db2.gz YIGMLGBTCWETIW-UHFFFAOYSA-N -1 1 316.252 0.950 20 0 DCADMM O=C(C1CC1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001581923663 1165914314 /nfs/dbraw/zinc/91/43/14/1165914314.db2.gz ZFYAXOOGXYKCKF-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001581923663 1165914319 /nfs/dbraw/zinc/91/43/19/1165914319.db2.gz ZFYAXOOGXYKCKF-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CCCF)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001582046120 1165944367 /nfs/dbraw/zinc/94/43/67/1165944367.db2.gz VJSKWDTWAWQVKB-VIFPVBQESA-N -1 1 320.332 0.101 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1ccns1 ZINC001582139605 1165967080 /nfs/dbraw/zinc/96/70/80/1165967080.db2.gz XDLGTAJSASGHJO-UHFFFAOYSA-N -1 1 301.335 0.577 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1ccns1 ZINC001582139605 1165967087 /nfs/dbraw/zinc/96/70/87/1165967087.db2.gz XDLGTAJSASGHJO-UHFFFAOYSA-N -1 1 301.335 0.577 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ncc2c(n1)COC2 ZINC001582138361 1165968425 /nfs/dbraw/zinc/96/84/25/1165968425.db2.gz AVVYPPRCINDEGD-UHFFFAOYSA-N -1 1 324.304 0.263 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ncc2c(n1)COC2 ZINC001582138361 1165968429 /nfs/dbraw/zinc/96/84/29/1165968429.db2.gz AVVYPPRCINDEGD-UHFFFAOYSA-N -1 1 324.304 0.263 20 0 DCADMM O=C(Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1)C(F)F ZINC001582207207 1165983296 /nfs/dbraw/zinc/98/32/96/1165983296.db2.gz BKODBFJIIHQVJW-UHFFFAOYSA-N -1 1 305.248 0.959 20 0 DCADMM O=C(NC1(CF)CCOCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001582235400 1165988111 /nfs/dbraw/zinc/98/81/11/1165988111.db2.gz PYQXAERYRUMFEA-UHFFFAOYSA-N -1 1 306.301 0.510 20 0 DCADMM O=C(NC1(CF)CCOCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001582235400 1165988119 /nfs/dbraw/zinc/98/81/19/1165988119.db2.gz PYQXAERYRUMFEA-UHFFFAOYSA-N -1 1 306.301 0.510 20 0 DCADMM O=C(NC[C@@H](O)c1c[nH]cn1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582380552 1166008861 /nfs/dbraw/zinc/00/88/61/1166008861.db2.gz BBGXSOYQZRNSGZ-SNVBAGLBSA-N -1 1 317.284 0.192 20 0 DCADMM O=C(NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)C1CC1 ZINC001582516334 1166029990 /nfs/dbraw/zinc/02/99/90/1166029990.db2.gz AOIMXRBEVCHZPK-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)C1CC1 ZINC001582516334 1166029998 /nfs/dbraw/zinc/02/99/98/1166029998.db2.gz AOIMXRBEVCHZPK-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1csc(CO)n1 ZINC001582551618 1166038750 /nfs/dbraw/zinc/03/87/50/1166038750.db2.gz SXDHIAMIIQRBGF-UHFFFAOYSA-N -1 1 322.375 0.807 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001582549758 1166039275 /nfs/dbraw/zinc/03/92/75/1166039275.db2.gz ITTVBTCVPRPHGI-MBTKJCJQSA-N -1 1 306.351 0.372 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NCc1ncccn1 ZINC001582560202 1166044982 /nfs/dbraw/zinc/04/49/82/1166044982.db2.gz UFANGZIXKJUPGY-UHFFFAOYSA-N -1 1 317.338 0.113 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NCc1ncccn1 ZINC001582560202 1166044985 /nfs/dbraw/zinc/04/49/85/1166044985.db2.gz UFANGZIXKJUPGY-UHFFFAOYSA-N -1 1 317.338 0.113 20 0 DCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001582572007 1166048257 /nfs/dbraw/zinc/04/82/57/1166048257.db2.gz ZFMDNFSFYQQSAP-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001582572007 1166048263 /nfs/dbraw/zinc/04/82/63/1166048263.db2.gz ZFMDNFSFYQQSAP-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@]12C[C@H]1COC21CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001582629272 1166054246 /nfs/dbraw/zinc/05/42/46/1166054246.db2.gz GUEWIPQBXIHUSX-BJOHPYRUSA-N -1 1 312.333 0.703 20 0 DCADMM O=C(N[C@]12C[C@H]1COC21CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001582629272 1166054253 /nfs/dbraw/zinc/05/42/53/1166054253.db2.gz GUEWIPQBXIHUSX-BJOHPYRUSA-N -1 1 312.333 0.703 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cncc(Cl)n1 ZINC001582644261 1166058049 /nfs/dbraw/zinc/05/80/49/1166058049.db2.gz BDSGKAXPZPKOFW-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cncc(Cl)n1 ZINC001582644261 1166058055 /nfs/dbraw/zinc/05/80/55/1166058055.db2.gz BDSGKAXPZPKOFW-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1ncc2c(c1-c1nn[n-]n1)COCC2)c1cncnc1 ZINC001582653150 1166061166 /nfs/dbraw/zinc/06/11/66/1166061166.db2.gz FTQKUDNOBNGDCF-UHFFFAOYSA-N -1 1 324.304 0.377 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cccc(-n2cccn2)n1 ZINC001582650180 1166062272 /nfs/dbraw/zinc/06/22/72/1166062272.db2.gz NDJIRLRWGNNBLN-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCc2nccnc2C1 ZINC001582708248 1166068750 /nfs/dbraw/zinc/06/87/50/1166068750.db2.gz GWZKRINBPPHBNL-UHFFFAOYSA-N -1 1 308.305 0.250 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCc2nccnc2C1 ZINC001582708248 1166068751 /nfs/dbraw/zinc/06/87/51/1166068751.db2.gz GWZKRINBPPHBNL-UHFFFAOYSA-N -1 1 308.305 0.250 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001582727822 1166070380 /nfs/dbraw/zinc/07/03/80/1166070380.db2.gz AUGKMUZUXARTJE-VHSXEESVSA-N -1 1 321.362 0.558 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001582727822 1166070388 /nfs/dbraw/zinc/07/03/88/1166070388.db2.gz AUGKMUZUXARTJE-VHSXEESVSA-N -1 1 321.362 0.558 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001582745341 1166073883 /nfs/dbraw/zinc/07/38/83/1166073883.db2.gz ZVHRBQODMXHJDV-SECBINFHSA-N -1 1 318.362 0.375 20 0 DCADMM O=C1C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)CN1c1ccccc1 ZINC001582760183 1166078314 /nfs/dbraw/zinc/07/83/14/1166078314.db2.gz NJVOXKSPDSQBIN-LBPRGKRZSA-N -1 1 321.344 0.901 20 0 DCADMM O=C1C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)CN1c1ccccc1 ZINC001582760183 1166078321 /nfs/dbraw/zinc/07/83/21/1166078321.db2.gz NJVOXKSPDSQBIN-LBPRGKRZSA-N -1 1 321.344 0.901 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCOC(=O)N1 ZINC001582782715 1166079575 /nfs/dbraw/zinc/07/95/75/1166079575.db2.gz RPDZBTDHTOESDV-ZETCQYMHSA-N -1 1 308.323 0.043 20 0 DCADMM O=C1OC[C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)C[C@H]12 ZINC001582790737 1166081838 /nfs/dbraw/zinc/08/18/38/1166081838.db2.gz MRTJPTYSKRUVKQ-WPRPVWTQSA-N -1 1 323.316 0.419 20 0 DCADMM O=C1OC[C@@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)C[C@H]12 ZINC001582790737 1166081846 /nfs/dbraw/zinc/08/18/46/1166081846.db2.gz MRTJPTYSKRUVKQ-WPRPVWTQSA-N -1 1 323.316 0.419 20 0 DCADMM O=c1c(-c2nn[n-]n2)cc2c(n1COC1CCOCC1)CCC2 ZINC001582806842 1166086159 /nfs/dbraw/zinc/08/61/59/1166086159.db2.gz SGKBQIJOWXGWDR-UHFFFAOYSA-N -1 1 317.349 0.670 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001582807194 1166088331 /nfs/dbraw/zinc/08/83/31/1166088331.db2.gz RJLNGCNNWUGAJS-HZMBPMFUSA-N -1 1 318.337 0.152 20 0 DCADMM OC[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC[C@@H]1O ZINC001582812062 1166091713 /nfs/dbraw/zinc/09/17/13/1166091713.db2.gz IKGJRFCTPHCMAD-RITPCOANSA-N -1 1 316.774 0.156 20 0 DCADMM OC[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC[C@@H]1O ZINC001582812062 1166091716 /nfs/dbraw/zinc/09/17/16/1166091716.db2.gz IKGJRFCTPHCMAD-RITPCOANSA-N -1 1 316.774 0.156 20 0 DCADMM O=c1[nH]c(C2CC2)nc2c1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001582815864 1166097269 /nfs/dbraw/zinc/09/72/69/1166097269.db2.gz CGNBFUFZKSMAAE-UHFFFAOYSA-N -1 1 323.320 0.550 20 0 DCADMM c1nc(-c2nn[n-]n2)ncc1OC[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001582820427 1166098700 /nfs/dbraw/zinc/09/87/00/1166098700.db2.gz DAUDVODIHJLPRY-YGRLFVJLSA-N -1 1 318.337 0.764 20 0 DCADMM CN(C(=O)c1cc(Br)cn2ncnc12)c1nn[n-]n1 ZINC001585910932 1166468422 /nfs/dbraw/zinc/46/84/22/1166468422.db2.gz QLTWMKLBKZNCIX-UHFFFAOYSA-N -1 1 323.114 0.282 20 0 DCADMM CC1N=NC(C(=O)Nc2ccc([C@H]3NC(=O)NC3=O)cc2)=C1[O-] ZINC001585916030 1166468623 /nfs/dbraw/zinc/46/86/23/1166468623.db2.gz UEBSPLQOWRFTFP-SECBINFHSA-N -1 1 315.289 0.557 20 0 DCADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC(n2ccnc2)C1 ZINC001586304181 1166494220 /nfs/dbraw/zinc/49/42/20/1166494220.db2.gz CQYQZFJNFQBHNC-UHFFFAOYSA-N -1 1 300.347 0.912 20 0 DCADMM O=C(Cn1ncc2cccnc21)N1CCC(c2nn[n-]n2)CC1 ZINC001587875043 1166513511 /nfs/dbraw/zinc/51/35/11/1166513511.db2.gz MEZXFQJJFYVRBO-UHFFFAOYSA-N -1 1 312.337 0.351 20 0 DCADMM C=C/C=C/CCn1c(=O)c(-c2nn[n-]n2)c(C)n(C2CC2)c1=O ZINC001588531095 1166559351 /nfs/dbraw/zinc/55/93/51/1166559351.db2.gz YOKNEWMHVIJJDA-SNAWJCMRSA-N -1 1 314.349 0.966 20 0 DCADMM CC(=O)N(C)C1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001588796927 1166590036 /nfs/dbraw/zinc/59/00/36/1166590036.db2.gz LQOSBMKZFMFDPS-UHFFFAOYSA-N -1 1 321.410 0.766 20 0 DCADMM CC(=O)N(C)C1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001588796927 1166590041 /nfs/dbraw/zinc/59/00/41/1166590041.db2.gz LQOSBMKZFMFDPS-UHFFFAOYSA-N -1 1 321.410 0.766 20 0 DCADMM CC(=O)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588815847 1166596672 /nfs/dbraw/zinc/59/66/72/1166596672.db2.gz FSLOLULBUIATKO-LLVKDONJSA-N -1 1 316.369 0.717 20 0 DCADMM CC(=O)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588815847 1166596677 /nfs/dbraw/zinc/59/66/77/1166596677.db2.gz FSLOLULBUIATKO-LLVKDONJSA-N -1 1 316.369 0.717 20 0 DCADMM CC(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588831484 1166602492 /nfs/dbraw/zinc/60/24/92/1166602492.db2.gz STVYISXZKSVQJH-ZDUSSCGKSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588831484 1166602501 /nfs/dbraw/zinc/60/25/01/1166602501.db2.gz STVYISXZKSVQJH-ZDUSSCGKSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588840144 1166606120 /nfs/dbraw/zinc/60/61/20/1166606120.db2.gz MUYYHORVNCFBTM-NXEZZACHSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588840144 1166606123 /nfs/dbraw/zinc/60/61/23/1166606123.db2.gz MUYYHORVNCFBTM-NXEZZACHSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)NC1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001588841157 1166606202 /nfs/dbraw/zinc/60/62/02/1166606202.db2.gz GILDQHIBVKIXPL-UHFFFAOYSA-N -1 1 302.342 0.070 20 0 DCADMM CC(=O)NC1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001588841157 1166606207 /nfs/dbraw/zinc/60/62/07/1166606207.db2.gz GILDQHIBVKIXPL-UHFFFAOYSA-N -1 1 302.342 0.070 20 0 DCADMM CC(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588857237 1166608027 /nfs/dbraw/zinc/60/80/27/1166608027.db2.gz FISKFKQUWYOHJG-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CC(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588857237 1166608035 /nfs/dbraw/zinc/60/80/35/1166608035.db2.gz FISKFKQUWYOHJG-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CC(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001588855790 1166608481 /nfs/dbraw/zinc/60/84/81/1166608481.db2.gz ZXUSWQONELZCCW-JTQLQIEISA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001588855790 1166608486 /nfs/dbraw/zinc/60/84/86/1166608486.db2.gz ZXUSWQONELZCCW-JTQLQIEISA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NC[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001588855754 1166609318 /nfs/dbraw/zinc/60/93/18/1166609318.db2.gz ZOYOYIZVLNSONJ-JTQLQIEISA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NC[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001588855754 1166609322 /nfs/dbraw/zinc/60/93/22/1166609322.db2.gz ZOYOYIZVLNSONJ-JTQLQIEISA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NCC[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001588858456 1166611853 /nfs/dbraw/zinc/61/18/53/1166611853.db2.gz WHHITZAPSUGATI-NSHDSACASA-N -1 1 316.369 0.399 20 0 DCADMM CC(=O)NCCCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001588862833 1166611869 /nfs/dbraw/zinc/61/18/69/1166611869.db2.gz ZCMQEJORPKYTPQ-UHFFFAOYSA-N -1 1 315.790 0.939 20 0 DCADMM CC(=O)NCCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001588862833 1166611876 /nfs/dbraw/zinc/61/18/76/1166611876.db2.gz ZCMQEJORPKYTPQ-UHFFFAOYSA-N -1 1 315.790 0.939 20 0 DCADMM CC(=O)OCCn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001588888184 1166613463 /nfs/dbraw/zinc/61/34/63/1166613463.db2.gz LARCUOXAHDZRLR-UHFFFAOYSA-N -1 1 317.227 0.610 20 0 DCADMM CC(=O)c1cn(C2CN(Cc3ccc(-c4nnn[n-]4)o3)C2)nn1 ZINC001588922841 1166617476 /nfs/dbraw/zinc/61/74/76/1166617476.db2.gz ITIZRIBEUMWJQX-UHFFFAOYSA-N -1 1 314.309 0.311 20 0 DCADMM CC(=O)c1cn(C2CN(Cc3ccc(-c4nn[n-]n4)o3)C2)nn1 ZINC001588922841 1166617479 /nfs/dbraw/zinc/61/74/79/1166617479.db2.gz ITIZRIBEUMWJQX-UHFFFAOYSA-N -1 1 314.309 0.311 20 0 DCADMM C[C@H](C(=O)N1CC(C)(C)OC[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001588947212 1166620962 /nfs/dbraw/zinc/62/09/62/1166620962.db2.gz XNLQCSRAXRJXOX-DTWKUNHWSA-N -1 1 320.357 0.045 20 0 DCADMM C[C@H](C(=O)N1CC[C@]2(CC2(F)F)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951661 1166621750 /nfs/dbraw/zinc/62/17/50/1166621750.db2.gz IKZQZSKJMWSKCL-HQJQHLMTSA-N -1 1 324.295 0.277 20 0 DCADMM C[C@H](C(=O)N(C)c1ccsc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943430 1166622004 /nfs/dbraw/zinc/62/20/04/1166622004.db2.gz OCBXMZSHJLEENL-SSDOTTSWSA-N -1 1 304.339 0.744 20 0 DCADMM C[C@H](C(=O)OC[C@]1(C)CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001589027976 1166631903 /nfs/dbraw/zinc/63/19/03/1166631903.db2.gz SCXZJOVNYOGJFQ-LDWIPMOCSA-N -1 1 313.268 0.608 20 0 DCADMM CC(C)(C)C[C@H](CO)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589119305 1166635840 /nfs/dbraw/zinc/63/58/40/1166635840.db2.gz VFVQXXOGAGSRBM-SECBINFHSA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(C)C[C@H](CO)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589119305 1166635843 /nfs/dbraw/zinc/63/58/43/1166635843.db2.gz VFVQXXOGAGSRBM-SECBINFHSA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(C)OC(=O)[C@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589149182 1166637906 /nfs/dbraw/zinc/63/79/06/1166637906.db2.gz HIFVOJUSFPHFNV-VIFPVBQESA-N -1 1 317.353 0.825 20 0 DCADMM CC(C)(C)OC(=O)[C@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589149182 1166637907 /nfs/dbraw/zinc/63/79/07/1166637907.db2.gz HIFVOJUSFPHFNV-VIFPVBQESA-N -1 1 317.353 0.825 20 0 DCADMM CC(C)(C)OC(=O)NCCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001589183138 1166639529 /nfs/dbraw/zinc/63/95/29/1166639529.db2.gz GXHZLGQFLQQIQG-UHFFFAOYSA-N -1 1 320.357 0.983 20 0 DCADMM CC(C)(C)OC(=O)NCCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001589183138 1166639535 /nfs/dbraw/zinc/63/95/35/1166639535.db2.gz GXHZLGQFLQQIQG-UHFFFAOYSA-N -1 1 320.357 0.983 20 0 DCADMM CC(C)(CCS(C)(=O)=O)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589276424 1166642420 /nfs/dbraw/zinc/64/24/20/1166642420.db2.gz YIKKSGFRRZFWBL-UHFFFAOYSA-N -1 1 311.371 0.282 20 0 DCADMM CC(C)(CCS(C)(=O)=O)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589276424 1166642425 /nfs/dbraw/zinc/64/24/25/1166642425.db2.gz YIKKSGFRRZFWBL-UHFFFAOYSA-N -1 1 311.371 0.282 20 0 DCADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)n1)C1(O)CCOCC1 ZINC001589293061 1166644546 /nfs/dbraw/zinc/64/45/46/1166644546.db2.gz OLHAWDYZBKPOEW-UHFFFAOYSA-N -1 1 319.369 0.058 20 0 DCADMM CC(C)=CC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001589354112 1166651812 /nfs/dbraw/zinc/65/18/12/1166651812.db2.gz GOBCZGWBDVEXBG-JTQLQIEISA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)=CC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001589354112 1166651816 /nfs/dbraw/zinc/65/18/16/1166651816.db2.gz GOBCZGWBDVEXBG-JTQLQIEISA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)=CC(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001589354379 1166652508 /nfs/dbraw/zinc/65/25/08/1166652508.db2.gz OAAUSXWILWGURA-UHFFFAOYSA-N -1 1 316.369 0.518 20 0 DCADMM CC(C)=CC(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001589354379 1166652510 /nfs/dbraw/zinc/65/25/10/1166652510.db2.gz OAAUSXWILWGURA-UHFFFAOYSA-N -1 1 316.369 0.518 20 0 DCADMM CC(C)C(=O)NCCN(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589405611 1166657365 /nfs/dbraw/zinc/65/73/65/1166657365.db2.gz JWVLKGFGEWTVPH-UHFFFAOYSA-N -1 1 317.353 0.106 20 0 DCADMM CC(C)C(=O)NCCN(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589405611 1166657368 /nfs/dbraw/zinc/65/73/68/1166657368.db2.gz JWVLKGFGEWTVPH-UHFFFAOYSA-N -1 1 317.353 0.106 20 0 DCADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1nncn1C ZINC001589471882 1166661716 /nfs/dbraw/zinc/66/17/16/1166661716.db2.gz GUSLXSRAUKRTLR-SNVBAGLBSA-N -1 1 316.325 0.715 20 0 DCADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1nncn1C ZINC001589471882 1166661720 /nfs/dbraw/zinc/66/17/20/1166661720.db2.gz GUSLXSRAUKRTLR-SNVBAGLBSA-N -1 1 316.325 0.715 20 0 DCADMM CC(C)[C@@H]1C(=O)NCCN1Cc1csc(-c2nn[n-]n2)c1 ZINC001589500245 1166663247 /nfs/dbraw/zinc/66/32/47/1166663247.db2.gz YQEUXAQEWBGDKN-LLVKDONJSA-N -1 1 306.395 0.885 20 0 DCADMM CC(C)[C@H]1N(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001589520118 1166665258 /nfs/dbraw/zinc/66/52/58/1166665258.db2.gz OUZYYHLBPVPLRC-VHSXEESVSA-N -1 1 318.385 0.912 20 0 DCADMM CC(C)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001589572169 1166667333 /nfs/dbraw/zinc/66/73/33/1166667333.db2.gz OZUHFWVPQUVKJO-LLVKDONJSA-N -1 1 304.354 0.806 20 0 DCADMM CC(C)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001589572169 1166667337 /nfs/dbraw/zinc/66/73/37/1166667337.db2.gz OZUHFWVPQUVKJO-LLVKDONJSA-N -1 1 304.354 0.806 20 0 DCADMM CC(C)CCO[C@@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589607292 1166667477 /nfs/dbraw/zinc/66/74/77/1166667477.db2.gz REEBMZKLQPHVFF-VIFPVBQESA-N -1 1 307.358 0.990 20 0 DCADMM CC(C)CCO[C@@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589607292 1166667479 /nfs/dbraw/zinc/66/74/79/1166667479.db2.gz REEBMZKLQPHVFF-VIFPVBQESA-N -1 1 307.358 0.990 20 0 DCADMM CC(C)C[C@@H](C(N)=O)N(C)Cc1nc(-c2nnn[n-]2)cs1 ZINC001589653289 1166670750 /nfs/dbraw/zinc/67/07/50/1166670750.db2.gz DVFVIYJQDVPSOE-VIFPVBQESA-N -1 1 309.399 0.655 20 0 DCADMM CC(C)C[C@@H](C(N)=O)N(C)Cc1nc(-c2nn[n-]n2)cs1 ZINC001589653289 1166670755 /nfs/dbraw/zinc/67/07/55/1166670755.db2.gz DVFVIYJQDVPSOE-VIFPVBQESA-N -1 1 309.399 0.655 20 0 DCADMM CC(C)C[C@@H](C(N)=O)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589653427 1166671179 /nfs/dbraw/zinc/67/11/79/1166671179.db2.gz NVFQESBSUSGINQ-VIFPVBQESA-N -1 1 306.326 0.432 20 0 DCADMM CC(C)C[C@@H](C(N)=O)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589653427 1166671183 /nfs/dbraw/zinc/67/11/83/1166671183.db2.gz NVFQESBSUSGINQ-VIFPVBQESA-N -1 1 306.326 0.432 20 0 DCADMM CC(C)O[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589749533 1166683519 /nfs/dbraw/zinc/68/35/19/1166683519.db2.gz AUBJVTTWAYSFGG-LLVKDONJSA-N -1 1 302.338 0.901 20 0 DCADMM CC(C)O[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589749533 1166683522 /nfs/dbraw/zinc/68/35/22/1166683522.db2.gz AUBJVTTWAYSFGG-LLVKDONJSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H](CC(=O)NCCn1cnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001589792560 1166687989 /nfs/dbraw/zinc/68/79/89/1166687989.db2.gz FFZFXDJWRXVOPZ-ZCFIWIBFSA-N -1 1 318.263 0.163 20 0 DCADMM C[C@H](CN1CCCC1=O)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589848965 1166700236 /nfs/dbraw/zinc/70/02/36/1166700236.db2.gz LNURHIDBOSDASH-SECBINFHSA-N -1 1 315.337 0.002 20 0 DCADMM C[C@H](CN1CCCC1=O)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589848965 1166700239 /nfs/dbraw/zinc/70/02/39/1166700239.db2.gz LNURHIDBOSDASH-SECBINFHSA-N -1 1 315.337 0.002 20 0 DCADMM C[C@@H](CN1CCCC1=O)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589848966 1166700835 /nfs/dbraw/zinc/70/08/35/1166700835.db2.gz LNURHIDBOSDASH-VIFPVBQESA-N -1 1 315.337 0.002 20 0 DCADMM C[C@@H](CN1CCCC1=O)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589848966 1166700841 /nfs/dbraw/zinc/70/08/41/1166700841.db2.gz LNURHIDBOSDASH-VIFPVBQESA-N -1 1 315.337 0.002 20 0 DCADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)N1CCCCC1=O ZINC001589864821 1166702069 /nfs/dbraw/zinc/70/20/69/1166702069.db2.gz WXTPVSPUJFYLPX-SECBINFHSA-N -1 1 318.337 0.591 20 0 DCADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)N1CCCCC1=O ZINC001589864821 1166702076 /nfs/dbraw/zinc/70/20/76/1166702076.db2.gz WXTPVSPUJFYLPX-SECBINFHSA-N -1 1 318.337 0.591 20 0 DCADMM C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589887865 1166708364 /nfs/dbraw/zinc/70/83/64/1166708364.db2.gz AOOXNEQYIGEZBB-CWMRNNLJSA-N -1 1 323.382 0.492 20 0 DCADMM C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589887865 1166708369 /nfs/dbraw/zinc/70/83/69/1166708369.db2.gz AOOXNEQYIGEZBB-CWMRNNLJSA-N -1 1 323.382 0.492 20 0 DCADMM CC(F)(F)CN1CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001589910664 1166715696 /nfs/dbraw/zinc/71/56/96/1166715696.db2.gz VVZQQJRUJXIDPS-UHFFFAOYSA-N -1 1 310.312 0.434 20 0 DCADMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1nnnn1C1CC1 ZINC001589977082 1166735499 /nfs/dbraw/zinc/73/54/99/1166735499.db2.gz UGVYANFAWGBKAV-ZCFIWIBFSA-N -1 1 318.370 0.495 20 0 DCADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1nnnn1C1CC1 ZINC001589977082 1166735505 /nfs/dbraw/zinc/73/55/05/1166735505.db2.gz UGVYANFAWGBKAV-ZCFIWIBFSA-N -1 1 318.370 0.495 20 0 DCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1(S(C)(=O)=O)CC1 ZINC001589986833 1166737135 /nfs/dbraw/zinc/73/71/35/1166737135.db2.gz UVSDRELYCCCZKX-ZETCQYMHSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1(S(C)(=O)=O)CC1 ZINC001589986833 1166737142 /nfs/dbraw/zinc/73/71/42/1166737142.db2.gz UVSDRELYCCCZKX-ZETCQYMHSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H](O)CN(CCO)c1snc(Cl)c1-c1nnn[n-]1 ZINC001590001864 1166747970 /nfs/dbraw/zinc/74/79/70/1166747970.db2.gz IUOMTGIHBQYIEF-RXMQYKEDSA-N -1 1 304.763 0.156 20 0 DCADMM C[C@@H](O)CN(CCO)c1snc(Cl)c1-c1nn[n-]n1 ZINC001590001864 1166747977 /nfs/dbraw/zinc/74/79/77/1166747977.db2.gz IUOMTGIHBQYIEF-RXMQYKEDSA-N -1 1 304.763 0.156 20 0 DCADMM C[C@@H](O)CN(C(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001590000200 1166748219 /nfs/dbraw/zinc/74/82/19/1166748219.db2.gz IDYQYSBBPWBJGR-SSDOTTSWSA-N -1 1 323.382 0.378 20 0 DCADMM C[C@@H](O)CN(C(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001590000200 1166748226 /nfs/dbraw/zinc/74/82/26/1166748226.db2.gz IDYQYSBBPWBJGR-SSDOTTSWSA-N -1 1 323.382 0.378 20 0 DCADMM C[C@H](Oc1ccccn1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590033986 1166758452 /nfs/dbraw/zinc/75/84/52/1166758452.db2.gz DVAOGUHAKOKSLO-ZETCQYMHSA-N -1 1 300.282 0.391 20 0 DCADMM CC1(C)CCC[C@@H](C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590095064 1166770460 /nfs/dbraw/zinc/77/04/60/1166770460.db2.gz VDPLXVGOHKHBMK-SNVBAGLBSA-N -1 1 318.385 0.791 20 0 DCADMM CC1(C)CC[C@@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)O1 ZINC001590085735 1166772299 /nfs/dbraw/zinc/77/22/99/1166772299.db2.gz CDEKRIUSWKDELQ-NSHDSACASA-N -1 1 302.338 0.836 20 0 DCADMM CC1(C)CC[C@@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)O1 ZINC001590085735 1166772302 /nfs/dbraw/zinc/77/23/02/1166772302.db2.gz CDEKRIUSWKDELQ-NSHDSACASA-N -1 1 302.338 0.836 20 0 DCADMM CC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC001590099190 1166774314 /nfs/dbraw/zinc/77/43/14/1166774314.db2.gz CWXOBLVLQSNZRB-UHFFFAOYSA-N -1 1 323.382 0.060 20 0 DCADMM CC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CCS1(=O)=O ZINC001590099190 1166774322 /nfs/dbraw/zinc/77/43/22/1166774322.db2.gz CWXOBLVLQSNZRB-UHFFFAOYSA-N -1 1 323.382 0.060 20 0 DCADMM CC1(C)CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@H]1O ZINC001590106600 1166776756 /nfs/dbraw/zinc/77/67/56/1166776756.db2.gz UJJUVPYPZSWIIV-SNVBAGLBSA-N -1 1 301.354 0.741 20 0 DCADMM CC1(C)CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@H]1O ZINC001590106600 1166776764 /nfs/dbraw/zinc/77/67/64/1166776764.db2.gz UJJUVPYPZSWIIV-SNVBAGLBSA-N -1 1 301.354 0.741 20 0 DCADMM CC1(C)CN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@@H]2COC[C@@H]21 ZINC001590107233 1166777668 /nfs/dbraw/zinc/77/76/68/1166777668.db2.gz VDXDWQMKFTZPGC-NWDGAFQWSA-N -1 1 316.365 0.343 20 0 DCADMM C[C@]1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CCNC1=O ZINC001590135166 1166783764 /nfs/dbraw/zinc/78/37/64/1166783764.db2.gz AUHVAHHNKHCHSP-GFCCVEGCSA-N -1 1 307.335 0.611 20 0 DCADMM C[C@]1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CCNC1=O ZINC001590135166 1166783775 /nfs/dbraw/zinc/78/37/75/1166783775.db2.gz AUHVAHHNKHCHSP-GFCCVEGCSA-N -1 1 307.335 0.611 20 0 DCADMM CC1(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)COC1 ZINC001590132679 1166784760 /nfs/dbraw/zinc/78/47/60/1166784760.db2.gz WJCWZYDSFGVNON-UHFFFAOYSA-N -1 1 309.355 0.159 20 0 DCADMM CC1(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)COC1 ZINC001590132679 1166784763 /nfs/dbraw/zinc/78/47/63/1166784763.db2.gz WJCWZYDSFGVNON-UHFFFAOYSA-N -1 1 309.355 0.159 20 0 DCADMM C[C@@]1(COC(=O)c2ccc(-c3nnn[n-]3)s2)CCNC1=O ZINC001590135167 1166785532 /nfs/dbraw/zinc/78/55/32/1166785532.db2.gz AUHVAHHNKHCHSP-LBPRGKRZSA-N -1 1 307.335 0.611 20 0 DCADMM C[C@@]1(COC(=O)c2ccc(-c3nn[n-]n3)s2)CCNC1=O ZINC001590135167 1166785539 /nfs/dbraw/zinc/78/55/39/1166785539.db2.gz AUHVAHHNKHCHSP-LBPRGKRZSA-N -1 1 307.335 0.611 20 0 DCADMM C[C@@]1(F)CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590141159 1166787774 /nfs/dbraw/zinc/78/77/74/1166787774.db2.gz CBZQUGJWCGKVJZ-LLVKDONJSA-N -1 1 315.330 0.972 20 0 DCADMM C[C@@]1(NC(=O)c2cccc(-c3nnn[n-]3)n2)CCO[C@@H]1C1CC1 ZINC001590145738 1166791534 /nfs/dbraw/zinc/79/15/34/1166791534.db2.gz QTEVLTRYPXPPKG-IUODEOHRSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@@]1(NC(=O)c2cccc(-c3nn[n-]n3)n2)CCO[C@@H]1C1CC1 ZINC001590145738 1166791541 /nfs/dbraw/zinc/79/15/41/1166791541.db2.gz QTEVLTRYPXPPKG-IUODEOHRSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590166727 1166796492 /nfs/dbraw/zinc/79/64/92/1166796492.db2.gz GVYQKXNINPFFNG-HRDYMLBCSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590166727 1166796498 /nfs/dbraw/zinc/79/64/98/1166796498.db2.gz GVYQKXNINPFFNG-HRDYMLBCSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1C[C@@H](CO)CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590194700 1166807376 /nfs/dbraw/zinc/80/73/76/1166807376.db2.gz YCLIBUKSFUAANE-NXEZZACHSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@@H]1C[C@@H](CO)CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590194700 1166807383 /nfs/dbraw/zinc/80/73/83/1166807383.db2.gz YCLIBUKSFUAANE-NXEZZACHSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H](C)O1 ZINC001590199477 1166809066 /nfs/dbraw/zinc/80/90/66/1166809066.db2.gz KYIWQBLIYKSJQS-MRTMQBJTSA-N -1 1 303.326 0.949 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H](C)O1 ZINC001590199477 1166809072 /nfs/dbraw/zinc/80/90/72/1166809072.db2.gz KYIWQBLIYKSJQS-MRTMQBJTSA-N -1 1 303.326 0.949 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CO1 ZINC001590202395 1166812943 /nfs/dbraw/zinc/81/29/43/1166812943.db2.gz GWKSGMADFZYTNB-RNFRBKRXSA-N -1 1 308.729 0.822 20 0 DCADMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)C1CC1 ZINC001590207894 1166815736 /nfs/dbraw/zinc/81/57/36/1166815736.db2.gz BQNQNPXOVXKUFO-WPRPVWTQSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)C1CC1 ZINC001590207894 1166815739 /nfs/dbraw/zinc/81/57/39/1166815739.db2.gz BQNQNPXOVXKUFO-WPRPVWTQSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001590216348 1166816652 /nfs/dbraw/zinc/81/66/52/1166816652.db2.gz OQYBACSFYVXKFQ-IUCAKERBSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001590216348 1166816654 /nfs/dbraw/zinc/81/66/54/1166816654.db2.gz OQYBACSFYVXKFQ-IUCAKERBSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@@H]1CC[C@@H](CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590232300 1166822304 /nfs/dbraw/zinc/82/23/04/1166822304.db2.gz VXLWPOCQBOIJCO-NXEZZACHSA-N -1 1 322.394 0.976 20 0 DCADMM C[C@@H]1CC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)CS1(=O)=O ZINC001590239077 1166824235 /nfs/dbraw/zinc/82/42/35/1166824235.db2.gz LMIUVXBHJCNYLN-SCZZXKLOSA-N -1 1 308.367 0.061 20 0 DCADMM C[C@@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)CS1(=O)=O ZINC001590239077 1166824237 /nfs/dbraw/zinc/82/42/37/1166824237.db2.gz LMIUVXBHJCNYLN-SCZZXKLOSA-N -1 1 308.367 0.061 20 0 DCADMM C[C@@H]1CCC[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)O1 ZINC001590244267 1166827087 /nfs/dbraw/zinc/82/70/87/1166827087.db2.gz RZNRAXFKCHHNEG-NXEZZACHSA-N -1 1 302.338 0.949 20 0 DCADMM C[C@@H]1CCC[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)O1 ZINC001590244267 1166827093 /nfs/dbraw/zinc/82/70/93/1166827093.db2.gz RZNRAXFKCHHNEG-NXEZZACHSA-N -1 1 302.338 0.949 20 0 DCADMM C[C@H]1CCC[C@@H]1CC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590252038 1166827209 /nfs/dbraw/zinc/82/72/09/1166827209.db2.gz YXWCDGBCWYESRL-VHSXEESVSA-N -1 1 304.358 0.401 20 0 DCADMM C[C@@H]1CCC[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC001590256397 1166828771 /nfs/dbraw/zinc/82/87/71/1166828771.db2.gz ZTXDMKWJICDDQX-RKDXNWHRSA-N -1 1 319.369 0.255 20 0 DCADMM C[C@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC[S@@]1=O ZINC001590270439 1166833077 /nfs/dbraw/zinc/83/30/77/1166833077.db2.gz WXSJXDRESAISDF-PPRQPISWSA-N -1 1 309.351 0.443 20 0 DCADMM C[C@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC[S@@]1=O ZINC001590270439 1166833083 /nfs/dbraw/zinc/83/30/83/1166833083.db2.gz WXSJXDRESAISDF-PPRQPISWSA-N -1 1 309.351 0.443 20 0 DCADMM C[C@@H]1CCOCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590276784 1166836906 /nfs/dbraw/zinc/83/69/06/1166836906.db2.gz CRNYNRXPGAWIEC-SNVBAGLBSA-N -1 1 302.338 0.442 20 0 DCADMM C[C@@H]1CCOCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590276784 1166836909 /nfs/dbraw/zinc/83/69/09/1166836909.db2.gz CRNYNRXPGAWIEC-SNVBAGLBSA-N -1 1 302.338 0.442 20 0 DCADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001590291985 1166842150 /nfs/dbraw/zinc/84/21/50/1166842150.db2.gz UBZHYCAUPVNQRK-SECBINFHSA-N -1 1 304.358 0.353 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)C1O ZINC001590299663 1166848057 /nfs/dbraw/zinc/84/80/57/1166848057.db2.gz KOJSGFWHNCLCKN-IUCAKERBSA-N -1 1 302.338 0.351 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)C1O ZINC001590299663 1166848062 /nfs/dbraw/zinc/84/80/62/1166848062.db2.gz KOJSGFWHNCLCKN-IUCAKERBSA-N -1 1 302.338 0.351 20 0 DCADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)ncn2)C[C@]2(CCCOC2)O1 ZINC001590315554 1166860034 /nfs/dbraw/zinc/86/00/34/1166860034.db2.gz XIZQOGFMRKOIBE-HZMBPMFUSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)ncn2)C[C@]2(CCCOC2)O1 ZINC001590315554 1166860037 /nfs/dbraw/zinc/86/00/37/1166860037.db2.gz XIZQOGFMRKOIBE-HZMBPMFUSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1ncncc1-c1nn[n-]n1)CCO2 ZINC001590333836 1166870980 /nfs/dbraw/zinc/87/09/80/1166870980.db2.gz LEWZJLDKKDXIBS-TVQRCGJNSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1OCC[C@]12CN(c1cccnc1-c1nnn[n-]1)CCO2 ZINC001590333713 1166871594 /nfs/dbraw/zinc/87/15/94/1166871594.db2.gz JNVONWKWYNUBKV-HZMBPMFUSA-N -1 1 302.338 0.646 20 0 DCADMM C[C@@H]1OCC[C@]12CN(c1cccnc1-c1nn[n-]n1)CCO2 ZINC001590333713 1166871600 /nfs/dbraw/zinc/87/16/00/1166871600.db2.gz JNVONWKWYNUBKV-HZMBPMFUSA-N -1 1 302.338 0.646 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001590344607 1166875644 /nfs/dbraw/zinc/87/56/44/1166875644.db2.gz VBYSNWYPEBCXCT-YHYXMXQVSA-N -1 1 316.369 0.518 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001590344607 1166875648 /nfs/dbraw/zinc/87/56/48/1166875648.db2.gz VBYSNWYPEBCXCT-YHYXMXQVSA-N -1 1 316.369 0.518 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590347318 1166878380 /nfs/dbraw/zinc/87/83/80/1166878380.db2.gz OSNYZVAFROVOHU-OTVCUZDGSA-N -1 1 314.353 0.318 20 0 DCADMM CCC(=O)N1CC[C@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590360935 1166883530 /nfs/dbraw/zinc/88/35/30/1166883530.db2.gz PLXRNWUHDRQELE-JTQLQIEISA-N -1 1 315.337 0.002 20 0 DCADMM CCC(=O)N1CC[C@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590360935 1166883537 /nfs/dbraw/zinc/88/35/37/1166883537.db2.gz PLXRNWUHDRQELE-JTQLQIEISA-N -1 1 315.337 0.002 20 0 DCADMM CCC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001590365351 1166889544 /nfs/dbraw/zinc/88/95/44/1166889544.db2.gz GHBHGXOSZCQNIV-PSASIEDQSA-N -1 1 302.342 0.008 20 0 DCADMM CCC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001590365351 1166889550 /nfs/dbraw/zinc/88/95/50/1166889550.db2.gz GHBHGXOSZCQNIV-PSASIEDQSA-N -1 1 302.342 0.008 20 0 DCADMM CCC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590375017 1166892298 /nfs/dbraw/zinc/89/22/98/1166892298.db2.gz MWNCFSNNQRNCCW-UHFFFAOYSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590375017 1166892303 /nfs/dbraw/zinc/89/23/03/1166892303.db2.gz MWNCFSNNQRNCCW-UHFFFAOYSA-N -1 1 302.342 0.373 20 0 DCADMM CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590412568 1166900320 /nfs/dbraw/zinc/90/03/20/1166900320.db2.gz LTGMDQDTAIPJNZ-DTWKUNHWSA-N -1 1 318.337 0.722 20 0 DCADMM CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590412568 1166900327 /nfs/dbraw/zinc/90/03/27/1166900327.db2.gz LTGMDQDTAIPJNZ-DTWKUNHWSA-N -1 1 318.337 0.722 20 0 DCADMM CC[C@H](C)N(OC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590412914 1166901871 /nfs/dbraw/zinc/90/18/71/1166901871.db2.gz VKURDZAFDAZTMH-QMMMGPOBSA-N -1 1 312.355 0.612 20 0 DCADMM CCC(CC)(CO)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590428993 1166904804 /nfs/dbraw/zinc/90/48/04/1166904804.db2.gz ZVPZMRKAKDAQSV-UHFFFAOYSA-N -1 1 318.381 0.719 20 0 DCADMM CCC(CC)(CO)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590428993 1166904814 /nfs/dbraw/zinc/90/48/14/1166904814.db2.gz ZVPZMRKAKDAQSV-UHFFFAOYSA-N -1 1 318.381 0.719 20 0 DCADMM CC[C@]1(C)CN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CCO1 ZINC001590490363 1166921781 /nfs/dbraw/zinc/92/17/81/1166921781.db2.gz LDKYHAAFEKOLQI-NOZJJQNGSA-N -1 1 320.357 0.047 20 0 DCADMM CCC1(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)COC1 ZINC001590486160 1166922237 /nfs/dbraw/zinc/92/22/37/1166922237.db2.gz TYOHBIVLOPSYDH-UHFFFAOYSA-N -1 1 314.349 0.968 20 0 DCADMM CCC1(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)COC1 ZINC001590486160 1166922248 /nfs/dbraw/zinc/92/22/48/1166922248.db2.gz TYOHBIVLOPSYDH-UHFFFAOYSA-N -1 1 314.349 0.968 20 0 DCADMM CCC1(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CCOCC1 ZINC001590497925 1166925392 /nfs/dbraw/zinc/92/53/92/1166925392.db2.gz BJVHDQSTIKHBCF-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM CCC1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CCOCC1 ZINC001590497925 1166925400 /nfs/dbraw/zinc/92/54/00/1166925400.db2.gz BJVHDQSTIKHBCF-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM CC[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@H](C)[S@@]1=O ZINC001590523723 1166933074 /nfs/dbraw/zinc/93/30/74/1166933074.db2.gz KWDGDOIEEHKWND-JYFUKTADSA-N -1 1 307.383 0.393 20 0 DCADMM CC[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@H](C)[S@]1=O ZINC001590523721 1166934572 /nfs/dbraw/zinc/93/45/72/1166934572.db2.gz KWDGDOIEEHKWND-URNOHEEXSA-N -1 1 307.383 0.393 20 0 DCADMM CC[C@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)C[C@@H](C)O1 ZINC001590524839 1166934943 /nfs/dbraw/zinc/93/49/43/1166934943.db2.gz UGHLAVYFTNOVDA-MNOVXSKESA-N -1 1 304.354 0.485 20 0 DCADMM CCCC(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590534405 1166935809 /nfs/dbraw/zinc/93/58/09/1166935809.db2.gz VDVJFIYVVVYQNY-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCCC(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590534405 1166935814 /nfs/dbraw/zinc/93/58/14/1166935814.db2.gz VDVJFIYVVVYQNY-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCC[C@H](CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)OCC ZINC001590557456 1166941240 /nfs/dbraw/zinc/94/12/40/1166941240.db2.gz OZJLJOJIGPKBHN-VHSXEESVSA-N -1 1 322.373 0.341 20 0 DCADMM CCC[C@@H](O)CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590560062 1166944386 /nfs/dbraw/zinc/94/43/86/1166944386.db2.gz LFSARASVLYVOJP-MRVPVSSYSA-N -1 1 310.383 0.888 20 0 DCADMM CCCCC(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590572037 1166946291 /nfs/dbraw/zinc/94/62/91/1166946291.db2.gz QPKGWNKJMWILOS-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCCC(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590572037 1166946293 /nfs/dbraw/zinc/94/62/93/1166946293.db2.gz QPKGWNKJMWILOS-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCC[C@@](C)(CO)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590573835 1166947386 /nfs/dbraw/zinc/94/73/86/1166947386.db2.gz LRIAOWKWMZBDHQ-AWEZNQCLSA-N -1 1 304.354 0.933 20 0 DCADMM CCCC[C@@](C)(CO)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590573835 1166947391 /nfs/dbraw/zinc/94/73/91/1166947391.db2.gz LRIAOWKWMZBDHQ-AWEZNQCLSA-N -1 1 304.354 0.933 20 0 DCADMM CCCNC(=O)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590636261 1166958547 /nfs/dbraw/zinc/95/85/47/1166958547.db2.gz BKMHOMDHAWSEAW-MRVPVSSYSA-N -1 1 307.310 0.840 20 0 DCADMM CCCNC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590636261 1166958551 /nfs/dbraw/zinc/95/85/51/1166958551.db2.gz BKMHOMDHAWSEAW-MRVPVSSYSA-N -1 1 307.310 0.840 20 0 DCADMM CCCc1nc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)no1 ZINC001590661639 1166961744 /nfs/dbraw/zinc/96/17/44/1166961744.db2.gz PFCPDWYHOIDYHR-UHFFFAOYSA-N -1 1 301.310 0.721 20 0 DCADMM CCN(C(=O)Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001590672203 1166966566 /nfs/dbraw/zinc/96/65/66/1166966566.db2.gz RGQUFQBRTCBSGW-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM CCN(C(=O)Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC001590672203 1166966572 /nfs/dbraw/zinc/96/65/72/1166966572.db2.gz RGQUFQBRTCBSGW-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM CCN(CCOC)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590715407 1166981564 /nfs/dbraw/zinc/98/15/64/1166981564.db2.gz AGRJCRLBBPDIHX-UHFFFAOYSA-N -1 1 321.341 0.771 20 0 DCADMM CCN(c1nc(Cl)c(-c2nnn[n-]2)s1)[C@H]1CCNC1=O ZINC001590725435 1166983301 /nfs/dbraw/zinc/98/33/01/1166983301.db2.gz XFFRANUAQOFOAX-YFKPBYRVSA-N -1 1 313.774 0.691 20 0 DCADMM CCN(c1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCNC1=O ZINC001590725435 1166983307 /nfs/dbraw/zinc/98/33/07/1166983307.db2.gz XFFRANUAQOFOAX-YFKPBYRVSA-N -1 1 313.774 0.691 20 0 DCADMM CCN1C[C@H](COC(=O)c2csc(-c3nnn[n-]3)c2)OC1=O ZINC001590730931 1166986114 /nfs/dbraw/zinc/98/61/14/1166986114.db2.gz WKJSQKVCKIGIMO-MRVPVSSYSA-N -1 1 323.334 0.926 20 0 DCADMM CCN1C[C@H](COC(=O)c2csc(-c3nn[n-]n3)c2)OC1=O ZINC001590730931 1166986120 /nfs/dbraw/zinc/98/61/20/1166986120.db2.gz WKJSQKVCKIGIMO-MRVPVSSYSA-N -1 1 323.334 0.926 20 0 DCADMM CCN1C[C@@H](CNc2cc(C)nc(-c3nnn[n-]3)c2)CC1=O ZINC001590729685 1166986867 /nfs/dbraw/zinc/98/68/67/1166986867.db2.gz LOANNZWLNZQFOQ-SNVBAGLBSA-N -1 1 301.354 0.850 20 0 DCADMM CCN1C[C@@H](CNc2cc(C)nc(-c3nn[n-]n3)c2)CC1=O ZINC001590729685 1166986876 /nfs/dbraw/zinc/98/68/76/1166986876.db2.gz LOANNZWLNZQFOQ-SNVBAGLBSA-N -1 1 301.354 0.850 20 0 DCADMM CCN1C[C@H](COC(=O)c2ccsc2-c2nnn[n-]2)OC1=O ZINC001590731184 1166990282 /nfs/dbraw/zinc/99/02/82/1166990282.db2.gz ZLHIPSOZRHKQIT-SSDOTTSWSA-N -1 1 323.334 0.926 20 0 DCADMM CCN1C[C@H](COC(=O)c2ccsc2-c2nn[n-]n2)OC1=O ZINC001590731184 1166990289 /nfs/dbraw/zinc/99/02/89/1166990289.db2.gz ZLHIPSOZRHKQIT-SSDOTTSWSA-N -1 1 323.334 0.926 20 0 DCADMM CCOC(=O)[C@@H](F)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590753556 1167006021 /nfs/dbraw/zinc/00/60/21/1167006021.db2.gz MSIIHZPTUZREMR-BDAKNGLRSA-N -1 1 321.316 0.384 20 0 DCADMM CCOC(=O)[C@@H](F)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590753556 1167006027 /nfs/dbraw/zinc/00/60/27/1167006027.db2.gz MSIIHZPTUZREMR-BDAKNGLRSA-N -1 1 321.316 0.384 20 0 DCADMM CCOCCC1(C(=O)n2ncc(-c3nn[n-]n3)c2N)CCC1 ZINC001590806251 1167025430 /nfs/dbraw/zinc/02/54/30/1167025430.db2.gz QNOMKSQMMZPDRP-UHFFFAOYSA-N -1 1 305.342 0.883 20 0 DCADMM CCOCCOC1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001590815243 1167028411 /nfs/dbraw/zinc/02/84/11/1167028411.db2.gz OVZSVDGKTWUXPS-UHFFFAOYSA-N -1 1 305.342 0.207 20 0 DCADMM CCOCCOC1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001590815243 1167028416 /nfs/dbraw/zinc/02/84/16/1167028416.db2.gz OVZSVDGKTWUXPS-UHFFFAOYSA-N -1 1 305.342 0.207 20 0 DCADMM CCO[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001590822632 1167034281 /nfs/dbraw/zinc/03/42/81/1167034281.db2.gz FWIOXSRSTGEYEY-OCAPTIKFSA-N -1 1 306.330 0.289 20 0 DCADMM CCO[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001590822632 1167034287 /nfs/dbraw/zinc/03/42/87/1167034287.db2.gz FWIOXSRSTGEYEY-OCAPTIKFSA-N -1 1 306.330 0.289 20 0 DCADMM CC[C@@H](O)CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001590856971 1167037982 /nfs/dbraw/zinc/03/79/82/1167037982.db2.gz KMZTVWNLRRTDGG-MRVPVSSYSA-N -1 1 300.322 0.849 20 0 DCADMM CC[C@@H](O)CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590857035 1167039447 /nfs/dbraw/zinc/03/94/47/1167039447.db2.gz 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1167059692 /nfs/dbraw/zinc/05/96/92/1167059692.db2.gz QPSMINRHJMIZLC-UHFFFAOYSA-N -1 1 304.339 0.721 20 0 DCADMM CCn1nc2c(cc1=O)CN(c1cccnc1-c1nnn[n-]1)CC2 ZINC001590965808 1167062704 /nfs/dbraw/zinc/06/27/04/1167062704.db2.gz LMGRHWCVNCKXCV-UHFFFAOYSA-N -1 1 324.348 0.401 20 0 DCADMM CCn1nc2c(cc1=O)CN(c1cccnc1-c1nn[n-]n1)CC2 ZINC001590965808 1167062711 /nfs/dbraw/zinc/06/27/11/1167062711.db2.gz LMGRHWCVNCKXCV-UHFFFAOYSA-N -1 1 324.348 0.401 20 0 DCADMM CCn1nncc1COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590971688 1167064058 /nfs/dbraw/zinc/06/40/58/1167064058.db2.gz CCOZRQUCZSGDJN-UHFFFAOYSA-N -1 1 314.309 0.159 20 0 DCADMM CCn1nncc1COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590971688 1167064067 /nfs/dbraw/zinc/06/40/67/1167064067.db2.gz CCOZRQUCZSGDJN-UHFFFAOYSA-N -1 1 314.309 0.159 20 0 DCADMM CCn1nnc(C)c1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590971786 1167064718 /nfs/dbraw/zinc/06/47/18/1167064718.db2.gz QHWJFZFIPIZKAX-UHFFFAOYSA-N -1 1 314.309 0.539 20 0 DCADMM CCn1nnc(C)c1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590971786 1167064723 /nfs/dbraw/zinc/06/47/23/1167064723.db2.gz QHWJFZFIPIZKAX-UHFFFAOYSA-N -1 1 314.309 0.539 20 0 DCADMM CN(C)C(=O)CCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591002086 1167071095 /nfs/dbraw/zinc/07/10/95/1167071095.db2.gz MMEQKHNRLFDIRC-UHFFFAOYSA-N -1 1 306.301 0.214 20 0 DCADMM CN(C)C(=O)CCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591002086 1167071100 /nfs/dbraw/zinc/07/11/00/1167071100.db2.gz MMEQKHNRLFDIRC-UHFFFAOYSA-N -1 1 306.301 0.214 20 0 DCADMM CN(CC1CC1)C(=O)COC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591053244 1167094196 /nfs/dbraw/zinc/09/41/96/1167094196.db2.gz FBDHRXOJJZXABP-UHFFFAOYSA-N -1 1 321.362 0.953 20 0 DCADMM CN(CC1CC1)C(=O)COC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591053244 1167094199 /nfs/dbraw/zinc/09/41/99/1167094199.db2.gz FBDHRXOJJZXABP-UHFFFAOYSA-N -1 1 321.362 0.953 20 0 DCADMM CN(CC1CCOCC1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591064307 1167097793 /nfs/dbraw/zinc/09/77/93/1167097793.db2.gz NVAQHBGAVWCXJH-UHFFFAOYSA-N -1 1 302.338 0.760 20 0 DCADMM CN(CC1CCOCC1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591064307 1167097799 /nfs/dbraw/zinc/09/77/99/1167097799.db2.gz NVAQHBGAVWCXJH-UHFFFAOYSA-N -1 1 302.338 0.760 20 0 DCADMM CN(CCCNc1cncc(-c2nnn[n-]2)n1)C(=O)C1CCC1 ZINC001591084162 1167100926 /nfs/dbraw/zinc/10/09/26/1167100926.db2.gz YDEJYCDTXWWHNI-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCCNc1cncc(-c2nn[n-]n2)n1)C(=O)C1CCC1 ZINC001591084162 1167100933 /nfs/dbraw/zinc/10/09/33/1167100933.db2.gz YDEJYCDTXWWHNI-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCCNc1ccnc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001591089537 1167104070 /nfs/dbraw/zinc/10/40/70/1167104070.db2.gz OYSKNJWKISTCRY-UHFFFAOYSA-N -1 1 311.353 0.412 20 0 DCADMM CN(Cc1cc[nH]n1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591134107 1167114255 /nfs/dbraw/zinc/11/42/55/1167114255.db2.gz PIPLLOIBRDRORP-UHFFFAOYSA-N -1 1 319.354 0.388 20 0 DCADMM CN(Cc1cc[nH]n1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591134107 1167114262 /nfs/dbraw/zinc/11/42/62/1167114262.db2.gz PIPLLOIBRDRORP-UHFFFAOYSA-N -1 1 319.354 0.388 20 0 DCADMM CN1CC[C@@H](OC(=O)c2cccc(F)c2-c2nnn[n-]2)C1=O ZINC001591180131 1167132374 /nfs/dbraw/zinc/13/23/74/1167132374.db2.gz IYTVFYJZFAPKQU-SECBINFHSA-N -1 1 305.269 0.393 20 0 DCADMM CN1CC[C@@H](OC(=O)c2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001591180131 1167132380 /nfs/dbraw/zinc/13/23/80/1167132380.db2.gz IYTVFYJZFAPKQU-SECBINFHSA-N -1 1 305.269 0.393 20 0 DCADMM CN1CCC2(CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)C1=O ZINC001591182691 1167135287 /nfs/dbraw/zinc/13/52/87/1167135287.db2.gz OQMVATWCLMVDAF-UHFFFAOYSA-N -1 1 313.365 0.710 20 0 DCADMM CN1CCC2(CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)C1=O ZINC001591182691 1167135291 /nfs/dbraw/zinc/13/52/91/1167135291.db2.gz OQMVATWCLMVDAF-UHFFFAOYSA-N -1 1 313.365 0.710 20 0 DCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN(C)C1=O ZINC001591187615 1167139285 /nfs/dbraw/zinc/13/92/85/1167139285.db2.gz FNUIHSHTGHGAPS-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN(C)C1=O ZINC001591187615 1167139289 /nfs/dbraw/zinc/13/92/89/1167139289.db2.gz FNUIHSHTGHGAPS-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CNC(=O)NC(=O)[C@@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001591209360 1167157430 /nfs/dbraw/zinc/15/74/30/1167157430.db2.gz HAFORZGBBUWVMY-ZCFIWIBFSA-N -1 1 324.341 0.942 20 0 DCADMM COC(=O)[C@](C)(O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591227569 1167165644 /nfs/dbraw/zinc/16/56/44/1167165644.db2.gz BZKOJWZRIDAXNJ-SECBINFHSA-N -1 1 318.746 0.313 20 0 DCADMM COC(=O)[C@H](CNc1ccnc(-c2nnn[n-]2)c1)CC(C)C ZINC001591231805 1167168749 /nfs/dbraw/zinc/16/87/49/1167168749.db2.gz BZALOJFOPSUURY-JTQLQIEISA-N -1 1 304.354 0.931 20 0 DCADMM COC(=O)[C@H](CNc1ccnc(-c2nn[n-]n2)c1)CC(C)C ZINC001591231805 1167168751 /nfs/dbraw/zinc/16/87/51/1167168751.db2.gz BZALOJFOPSUURY-JTQLQIEISA-N -1 1 304.354 0.931 20 0 DCADMM COC(=O)[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591240382 1167169940 /nfs/dbraw/zinc/16/99/40/1167169940.db2.gz ZACSPIIXPWDCIV-JTQLQIEISA-N -1 1 305.294 0.616 20 0 DCADMM COC(=O)[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591240382 1167169943 /nfs/dbraw/zinc/16/99/43/1167169943.db2.gz ZACSPIIXPWDCIV-JTQLQIEISA-N -1 1 305.294 0.616 20 0 DCADMM COC(=O)[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591240384 1167170790 /nfs/dbraw/zinc/17/07/90/1167170790.db2.gz ZACSPIIXPWDCIV-SNVBAGLBSA-N -1 1 305.294 0.616 20 0 DCADMM COC(=O)[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591240384 1167170796 /nfs/dbraw/zinc/17/07/96/1167170796.db2.gz ZACSPIIXPWDCIV-SNVBAGLBSA-N -1 1 305.294 0.616 20 0 DCADMM COC(=O)C1(CNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001591242670 1167172376 /nfs/dbraw/zinc/17/23/76/1167172376.db2.gz VNFIVJZRHVXUAJ-UHFFFAOYSA-N -1 1 317.353 0.614 20 0 DCADMM COC(=O)C12CC(C1)CN2C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591246899 1167173933 /nfs/dbraw/zinc/17/39/33/1167173933.db2.gz VVORPEXBXKJSDZ-UHFFFAOYSA-N -1 1 314.305 0.039 20 0 DCADMM COC(=O)C12CC(C1)CN2C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591246899 1167173936 /nfs/dbraw/zinc/17/39/36/1167173936.db2.gz VVORPEXBXKJSDZ-UHFFFAOYSA-N -1 1 314.305 0.039 20 0 DCADMM COC(=O)C1CC(OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591248487 1167177205 /nfs/dbraw/zinc/17/72/05/1167177205.db2.gz NHIIOEREHSQCDL-UHFFFAOYSA-N -1 1 317.305 0.299 20 0 DCADMM COC(=O)C1CC(OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591248487 1167177209 /nfs/dbraw/zinc/17/72/09/1167177209.db2.gz NHIIOEREHSQCDL-UHFFFAOYSA-N -1 1 317.305 0.299 20 0 DCADMM COC(=O)/C=C\[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591257580 1167181307 /nfs/dbraw/zinc/18/13/07/1167181307.db2.gz SLWMJWYJFYGFMT-FXHNIGACSA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)/C=C\[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591257580 1167181311 /nfs/dbraw/zinc/18/13/11/1167181311.db2.gz SLWMJWYJFYGFMT-FXHNIGACSA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)C[C@H](C)CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591258328 1167182218 /nfs/dbraw/zinc/18/22/18/1167182218.db2.gz GZKYVYVQQLLHAN-SSDOTTSWSA-N -1 1 307.314 0.128 20 0 DCADMM COC(=O)C[C@H](C)CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591258328 1167182222 /nfs/dbraw/zinc/18/22/22/1167182222.db2.gz GZKYVYVQQLLHAN-SSDOTTSWSA-N -1 1 307.314 0.128 20 0 DCADMM COC(=O)C[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591270125 1167191124 /nfs/dbraw/zinc/19/11/24/1167191124.db2.gz KZULNYQZOJJAID-QMMMGPOBSA-N -1 1 305.294 0.299 20 0 DCADMM COC(=O)C[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591270125 1167191131 /nfs/dbraw/zinc/19/11/31/1167191131.db2.gz KZULNYQZOJJAID-QMMMGPOBSA-N -1 1 305.294 0.299 20 0 DCADMM COC(=O)c1ccc(Cn2cnc(-c3nn[n-]n3)n2)c(F)c1 ZINC001591292941 1167203538 /nfs/dbraw/zinc/20/35/38/1167203538.db2.gz IHDSDEWIXREGDB-UHFFFAOYSA-N -1 1 303.257 0.432 20 0 DCADMM COC(=O)c1coc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001591307254 1167206552 /nfs/dbraw/zinc/20/65/52/1167206552.db2.gz CFXADXKUXXMXLW-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM COC(=O)c1coc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001591307254 1167206561 /nfs/dbraw/zinc/20/65/61/1167206561.db2.gz CFXADXKUXXMXLW-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM CO[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001591329899 1167217231 /nfs/dbraw/zinc/21/72/31/1167217231.db2.gz NYMXHYFCRXMMMW-JTQLQIEISA-N -1 1 303.326 0.808 20 0 DCADMM CO[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001591329899 1167217236 /nfs/dbraw/zinc/21/72/36/1167217236.db2.gz NYMXHYFCRXMMMW-JTQLQIEISA-N -1 1 303.326 0.808 20 0 DCADMM CO[C@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)C(F)(F)F ZINC001591327364 1167218282 /nfs/dbraw/zinc/21/82/82/1167218282.db2.gz SHGBLOGZFUFTFY-RXMQYKEDSA-N -1 1 305.220 0.496 20 0 DCADMM CO[C@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)C(F)(F)F ZINC001591326486 1167218486 /nfs/dbraw/zinc/21/84/86/1167218486.db2.gz MAARAFPELJYNRQ-RXMQYKEDSA-N -1 1 305.220 0.253 20 0 DCADMM CO[C@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)[C@@](C)(CO)C1 ZINC001591359625 1167233043 /nfs/dbraw/zinc/23/30/43/1167233043.db2.gz FTPUKENBHASTJG-NOZJJQNGSA-N -1 1 323.378 0.540 20 0 DCADMM CO[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC001591357960 1167233062 /nfs/dbraw/zinc/23/30/62/1167233062.db2.gz RFFQBSDXLDMNKA-JOYOIKCWSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC001591357960 1167233070 /nfs/dbraw/zinc/23/30/70/1167233070.db2.gz RFFQBSDXLDMNKA-JOYOIKCWSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001591357734 1167233127 /nfs/dbraw/zinc/23/31/27/1167233127.db2.gz PMPRKZUCDCGSBF-ZJUUUORDSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001591357734 1167233131 /nfs/dbraw/zinc/23/31/31/1167233131.db2.gz PMPRKZUCDCGSBF-ZJUUUORDSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@H]1COCC[C@@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591360819 1167234349 /nfs/dbraw/zinc/23/43/49/1167234349.db2.gz JMBRVXJIWABVRL-IUCAKERBSA-N -1 1 323.378 0.804 20 0 DCADMM CO[C@H]1COCC[C@@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591360819 1167234354 /nfs/dbraw/zinc/23/43/54/1167234354.db2.gz JMBRVXJIWABVRL-IUCAKERBSA-N -1 1 323.378 0.804 20 0 DCADMM CO[C@@H]1COCC[C@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591363132 1167236150 /nfs/dbraw/zinc/23/61/50/1167236150.db2.gz RWZWCDDTUSKOJM-LDYMZIIASA-N -1 1 307.310 0.336 20 0 DCADMM CO[C@@H]1COCC[C@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591363132 1167236157 /nfs/dbraw/zinc/23/61/57/1167236157.db2.gz RWZWCDDTUSKOJM-LDYMZIIASA-N -1 1 307.310 0.336 20 0 DCADMM CO[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1C ZINC001591361061 1167236903 /nfs/dbraw/zinc/23/69/03/1167236903.db2.gz LRJUDDFLUGMPEZ-GWCFXTLKSA-N -1 1 316.365 0.688 20 0 DCADMM CO[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1C ZINC001591361061 1167236910 /nfs/dbraw/zinc/23/69/10/1167236910.db2.gz LRJUDDFLUGMPEZ-GWCFXTLKSA-N -1 1 316.365 0.688 20 0 DCADMM COC[C@@H](CNc1ccc(C(=O)OC)nc1-c1nnn[n-]1)OC ZINC001591378413 1167250018 /nfs/dbraw/zinc/25/00/18/1167250018.db2.gz VQPBMUHJIBOHRX-MRVPVSSYSA-N -1 1 322.325 0.122 20 0 DCADMM COC[C@@H](CNc1ccc(C(=O)OC)nc1-c1nn[n-]n1)OC ZINC001591378413 1167250024 /nfs/dbraw/zinc/25/00/24/1167250024.db2.gz VQPBMUHJIBOHRX-MRVPVSSYSA-N -1 1 322.325 0.122 20 0 DCADMM COC[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001591381383 1167251828 /nfs/dbraw/zinc/25/18/28/1167251828.db2.gz WBSVOGPRNUQWOF-QMMMGPOBSA-N -1 1 317.227 0.996 20 0 DCADMM COC[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001591381383 1167251840 /nfs/dbraw/zinc/25/18/40/1167251840.db2.gz WBSVOGPRNUQWOF-QMMMGPOBSA-N -1 1 317.227 0.996 20 0 DCADMM COCC1(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CC1 ZINC001591385759 1167254423 /nfs/dbraw/zinc/25/44/23/1167254423.db2.gz TZIGPUXZHSBNJB-UHFFFAOYSA-N -1 1 303.326 0.832 20 0 DCADMM COCC1(N(C)C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001591388984 1167257594 /nfs/dbraw/zinc/25/75/94/1167257594.db2.gz OHEZSDFNZTYIMK-UHFFFAOYSA-N -1 1 302.338 0.442 20 0 DCADMM COCC1(N(C)C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001591388984 1167257603 /nfs/dbraw/zinc/25/76/03/1167257603.db2.gz OHEZSDFNZTYIMK-UHFFFAOYSA-N -1 1 302.338 0.442 20 0 DCADMM COC[C@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001591396524 1167267253 /nfs/dbraw/zinc/26/72/53/1167267253.db2.gz YXJPOWKHPVVRIZ-SNVBAGLBSA-N -1 1 317.353 0.386 20 0 DCADMM COC[C@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001591396524 1167267259 /nfs/dbraw/zinc/26/72/59/1167267259.db2.gz YXJPOWKHPVVRIZ-SNVBAGLBSA-N -1 1 317.353 0.386 20 0 DCADMM COCCC[C@H](C)OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591408224 1167272241 /nfs/dbraw/zinc/27/22/41/1167272241.db2.gz XYQKCMWMKYPHDI-IUCAKERBSA-N -1 1 309.330 0.378 20 0 DCADMM COCCCn1ccc(Nc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001591419423 1167278546 /nfs/dbraw/zinc/27/85/46/1167278546.db2.gz PNSPTWVHPAGXEA-UHFFFAOYSA-N -1 1 301.314 0.633 20 0 DCADMM COCCCn1ccc(Nc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001591419423 1167278550 /nfs/dbraw/zinc/27/85/50/1167278550.db2.gz PNSPTWVHPAGXEA-UHFFFAOYSA-N -1 1 301.314 0.633 20 0 DCADMM COCc1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001591456393 1167293838 /nfs/dbraw/zinc/29/38/38/1167293838.db2.gz NYNMRVCWFBSCQU-UHFFFAOYSA-N -1 1 314.305 0.931 20 0 DCADMM COCc1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001591456393 1167293844 /nfs/dbraw/zinc/29/38/44/1167293844.db2.gz NYNMRVCWFBSCQU-UHFFFAOYSA-N -1 1 314.305 0.931 20 0 DCADMM CON(C)C(=O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591462728 1167296152 /nfs/dbraw/zinc/29/61/52/1167296152.db2.gz MATIXLUSGDZGKH-UHFFFAOYSA-N -1 1 303.735 0.408 20 0 DCADMM CON(C)C(=O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591462728 1167296155 /nfs/dbraw/zinc/29/61/55/1167296155.db2.gz MATIXLUSGDZGKH-UHFFFAOYSA-N -1 1 303.735 0.408 20 0 DCADMM CO[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H]1OC ZINC001591473227 1167304339 /nfs/dbraw/zinc/30/43/39/1167304339.db2.gz XEJCQUBBVPYKER-DTORHVGOSA-N -1 1 310.745 0.765 20 0 DCADMM CO[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H]1OC ZINC001591473227 1167304343 /nfs/dbraw/zinc/30/43/43/1167304343.db2.gz XEJCQUBBVPYKER-DTORHVGOSA-N -1 1 310.745 0.765 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1C[C@H]1C[C@@]12CCOC2 ZINC001591473913 1167305253 /nfs/dbraw/zinc/30/52/53/1167305253.db2.gz RRFZNWGBDVDWQD-YMTOWFKASA-N -1 1 303.322 0.464 20 0 DCADMM CO[C@H]1C[C@H](CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001591474955 1167306224 /nfs/dbraw/zinc/30/62/24/1167306224.db2.gz RWWDRXWJPPVFQB-ZKCHVHJHSA-N -1 1 323.382 0.547 20 0 DCADMM CO[C@H]1C[C@H](CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001591474955 1167306232 /nfs/dbraw/zinc/30/62/32/1167306232.db2.gz RWWDRXWJPPVFQB-ZKCHVHJHSA-N -1 1 323.382 0.547 20 0 DCADMM COc1ccc(F)c(CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591606105 1167339079 /nfs/dbraw/zinc/33/90/79/1167339079.db2.gz WDXXNZNEROHVCI-UHFFFAOYSA-N -1 1 301.285 0.838 20 0 DCADMM COc1ncc(NC(=O)[C@H](OC)C(C)C)cc1-c1nn[n-]n1 ZINC001591664042 1167344037 /nfs/dbraw/zinc/34/40/37/1167344037.db2.gz HQATXRHQCAASPB-SNVBAGLBSA-N -1 1 306.326 0.880 20 0 DCADMM COc1ncc(NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)cc1-c1nn[n-]n1 ZINC001591664922 1167345756 /nfs/dbraw/zinc/34/57/56/1167345756.db2.gz OYRFMVSXFRTAOC-BKDNQFJXSA-N -1 1 314.305 0.434 20 0 DCADMM COc1ncc(NC(=O)NCC[C@H](C)O)cc1-c1nn[n-]n1 ZINC001591665783 1167346856 /nfs/dbraw/zinc/34/68/56/1167346856.db2.gz OTHAGMGIENNFJE-ZETCQYMHSA-N -1 1 307.314 0.163 20 0 DCADMM COc1ncc(NC(=O)Nc2cnn(C)c2)cc1-c1nn[n-]n1 ZINC001591667536 1167347129 /nfs/dbraw/zinc/34/71/29/1167347129.db2.gz RPEUDHGFWHADMZ-UHFFFAOYSA-N -1 1 315.297 0.648 20 0 DCADMM COc1ncc(NC(=O)c2ccc(C)nn2)cc1-c1nn[n-]n1 ZINC001591667726 1167347284 /nfs/dbraw/zinc/34/72/84/1167347284.db2.gz GCEWMYWOWWCYII-UHFFFAOYSA-N -1 1 312.293 0.621 20 0 DCADMM CSc1cnc(NCCn2cnc(-c3nn[n-]n3)n2)nc1 ZINC001591716130 1167362354 /nfs/dbraw/zinc/36/23/54/1167362354.db2.gz HVZVBXSSZXHJRP-UHFFFAOYSA-N -1 1 304.343 0.082 20 0 DCADMM C[C@@H]1CC=CC[C@H]1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001591732048 1167363703 /nfs/dbraw/zinc/36/37/03/1167363703.db2.gz CUHKAMIWSDSODF-NXEZZACHSA-N -1 1 317.357 0.112 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(CCCC2CCC2)c(=O)n1C ZINC001591794076 1167380642 /nfs/dbraw/zinc/38/06/42/1167380642.db2.gz XSXBLPNVJWPTFL-UHFFFAOYSA-N -1 1 304.354 0.616 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(CC2=CCCC2)c(=O)n1C1CC1 ZINC001591794039 1167380756 /nfs/dbraw/zinc/38/07/56/1167380756.db2.gz VNTFYALDYNBQBL-UHFFFAOYSA-N -1 1 314.349 0.944 20 0 DCADMM Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)cnn1C ZINC001591828466 1167389253 /nfs/dbraw/zinc/38/92/53/1167389253.db2.gz LEWMJDQOUMWADN-UHFFFAOYSA-N -1 1 309.311 0.302 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CSC[C@H]1C ZINC001591835997 1167389758 /nfs/dbraw/zinc/38/97/58/1167389758.db2.gz SDBKJQGYWOWTNX-APPZFPTMSA-N -1 1 320.378 0.757 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Cl)nn2)c1 ZINC001591837236 1167389986 /nfs/dbraw/zinc/38/99/86/1167389986.db2.gz WNDRIRHPBLATJL-UHFFFAOYSA-N -1 1 303.713 0.829 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NC2CCCC2)c1 ZINC001591836197 1167390368 /nfs/dbraw/zinc/39/03/68/1167390368.db2.gz FQTBKZHEIPTGRR-UHFFFAOYSA-N -1 1 302.338 0.396 20 0 DCADMM Cc1nocc1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001591836520 1167390657 /nfs/dbraw/zinc/39/06/57/1167390657.db2.gz ZOFIESHEHYENCK-UHFFFAOYSA-N -1 1 301.266 0.824 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)c1nccn1C ZINC001591835419 1167391356 /nfs/dbraw/zinc/39/13/56/1167391356.db2.gz XEODZVRTPCRDFD-UHFFFAOYSA-N -1 1 314.309 0.286 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CSC[C@@H]1C ZINC001591835998 1167391418 /nfs/dbraw/zinc/39/14/18/1167391418.db2.gz SDBKJQGYWOWTNX-CBAPKCEASA-N -1 1 320.378 0.757 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@@H](C)C1 ZINC001591834906 1167391645 /nfs/dbraw/zinc/39/16/45/1167391645.db2.gz WGAOPEARBXCCLV-QMMMGPOBSA-N -1 1 304.310 0.137 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C(C)(C)O)C2)n1 ZINC001591889302 1167411638 /nfs/dbraw/zinc/41/16/38/1167411638.db2.gz PHVGEUQSVCUSBO-JTQLQIEISA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C(C)(C)O)C2)n1 ZINC001591889302 1167411641 /nfs/dbraw/zinc/41/16/41/1167411641.db2.gz PHVGEUQSVCUSBO-JTQLQIEISA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC001591893714 1167413087 /nfs/dbraw/zinc/41/30/87/1167413087.db2.gz QRYUQRTUSWAUJZ-IUCAKERBSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC001591893714 1167413090 /nfs/dbraw/zinc/41/30/90/1167413090.db2.gz QRYUQRTUSWAUJZ-IUCAKERBSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC001591893713 1167413520 /nfs/dbraw/zinc/41/35/20/1167413520.db2.gz QRYUQRTUSWAUJZ-DTWKUNHWSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC001591893713 1167413526 /nfs/dbraw/zinc/41/35/26/1167413526.db2.gz QRYUQRTUSWAUJZ-DTWKUNHWSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ncnn2C(C)(C)C)n1 ZINC001591901208 1167415167 /nfs/dbraw/zinc/41/51/67/1167415167.db2.gz RQQOZEQPQIFUKE-UHFFFAOYSA-N -1 1 314.357 0.924 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ncnn2C(C)(C)C)n1 ZINC001591901208 1167415171 /nfs/dbraw/zinc/41/51/71/1167415171.db2.gz RQQOZEQPQIFUKE-UHFFFAOYSA-N -1 1 314.357 0.924 20 0 DCADMM Cc1cc(C)n([C@@H](C)C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)n1 ZINC001591955642 1167426027 /nfs/dbraw/zinc/42/60/27/1167426027.db2.gz VYZIEKYWGVLMGV-VIFPVBQESA-N -1 1 315.341 0.911 20 0 DCADMM Cc1cc(N[C@H]2CC(=O)N(CC3CC3)C2)nc(-c2nnn[n-]2)c1 ZINC001592035847 1167441008 /nfs/dbraw/zinc/44/10/08/1167441008.db2.gz BHZMKJIGQYOQSM-NSHDSACASA-N -1 1 313.365 0.993 20 0 DCADMM Cc1cc(N[C@H]2CC(=O)N(CC3CC3)C2)nc(-c2nn[n-]n2)c1 ZINC001592035847 1167441014 /nfs/dbraw/zinc/44/10/14/1167441014.db2.gz BHZMKJIGQYOQSM-NSHDSACASA-N -1 1 313.365 0.993 20 0 DCADMM Cc1cc(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)nc(-c2nnn[n-]2)c1 ZINC001592036709 1167441603 /nfs/dbraw/zinc/44/16/03/1167441603.db2.gz UWTFYYIRNZZPSN-VHSXEESVSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1cc(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)nc(-c2nn[n-]n2)c1 ZINC001592036709 1167441606 /nfs/dbraw/zinc/44/16/06/1167441606.db2.gz UWTFYYIRNZZPSN-VHSXEESVSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001592035948 1167442200 /nfs/dbraw/zinc/44/22/00/1167442200.db2.gz HKZBUMKIMGDGHX-LLVKDONJSA-N -1 1 315.381 0.803 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001592035948 1167442204 /nfs/dbraw/zinc/44/22/04/1167442204.db2.gz HKZBUMKIMGDGHX-LLVKDONJSA-N -1 1 315.381 0.803 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCC[C@@]1(O)CCCOC1 ZINC001592114316 1167458312 /nfs/dbraw/zinc/45/83/12/1167458312.db2.gz NZYISLFMSHAMRD-AWEZNQCLSA-N -1 1 304.354 0.914 20 0 DCADMM Cc1ccc([C@@H](O)CNC(=O)c2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592137784 1167462154 /nfs/dbraw/zinc/46/21/54/1167462154.db2.gz OENFSOQKIVFURH-NSHDSACASA-N -1 1 314.305 0.627 20 0 DCADMM Cc1ccc([C@@H](O)CNC(=O)c2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592137784 1167462164 /nfs/dbraw/zinc/46/21/64/1167462164.db2.gz OENFSOQKIVFURH-NSHDSACASA-N -1 1 314.305 0.627 20 0 DCADMM Cc1ccc(N2CC[C@H](C3OCCO3)C2)c(-c2nnn[n-]2)n1 ZINC001592174575 1167467645 /nfs/dbraw/zinc/46/76/45/1167467645.db2.gz JWTYHBQEOVVHKK-JTQLQIEISA-N -1 1 302.338 0.769 20 0 DCADMM Cc1ccc(N2CC[C@H](C3OCCO3)C2)c(-c2nn[n-]n2)n1 ZINC001592174575 1167467648 /nfs/dbraw/zinc/46/76/48/1167467648.db2.gz JWTYHBQEOVVHKK-JTQLQIEISA-N -1 1 302.338 0.769 20 0 DCADMM Cc1ccc(N2CCO[C@@H]([C@H]3CCCO3)C2)nc1-c1nnn[n-]1 ZINC001592175098 1167468550 /nfs/dbraw/zinc/46/85/50/1167468550.db2.gz GRWQCKVQTNQHTQ-VXGBXAGGSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@@H]([C@H]3CCCO3)C2)nc1-c1nn[n-]n1 ZINC001592175098 1167468555 /nfs/dbraw/zinc/46/85/55/1167468555.db2.gz GRWQCKVQTNQHTQ-VXGBXAGGSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCC3(CCNC3=O)CC2)nc1-c1nnn[n-]1 ZINC001592178016 1167470475 /nfs/dbraw/zinc/47/04/75/1167470475.db2.gz SEBLHKXYSYYXTJ-UHFFFAOYSA-N -1 1 313.365 0.677 20 0 DCADMM Cc1ccc(N2CCC3(CCNC3=O)CC2)nc1-c1nn[n-]n1 ZINC001592178016 1167470479 /nfs/dbraw/zinc/47/04/79/1167470479.db2.gz SEBLHKXYSYYXTJ-UHFFFAOYSA-N -1 1 313.365 0.677 20 0 DCADMM Cc1ccc(N2CCC3=C(CCC(=O)N3)C2)c(-c2nnn[n-]2)n1 ZINC001592177849 1167471524 /nfs/dbraw/zinc/47/15/24/1167471524.db2.gz LVYXMIGKGUASHQ-UHFFFAOYSA-N -1 1 311.349 0.944 20 0 DCADMM Cc1ccc(N2CCC3=C(CCC(=O)N3)C2)c(-c2nn[n-]n2)n1 ZINC001592177849 1167471527 /nfs/dbraw/zinc/47/15/27/1167471527.db2.gz LVYXMIGKGUASHQ-UHFFFAOYSA-N -1 1 311.349 0.944 20 0 DCADMM Cc1nnc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)n1C1CC1 ZINC001592265464 1167479775 /nfs/dbraw/zinc/47/97/75/1167479775.db2.gz AJIQMNHKMUECRR-UHFFFAOYSA-N -1 1 312.337 0.620 20 0 DCADMM Cc1ccn(CN2C[C@H]3CC[C@@H](C2)O3)c(=O)c1-c1nn[n-]n1 ZINC001592267964 1167480725 /nfs/dbraw/zinc/48/07/25/1167480725.db2.gz UNUYOGJUFWIZOX-PHIMTYICSA-N -1 1 302.338 0.158 20 0 DCADMM Cc1cccnc1N(C)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592263608 1167481047 /nfs/dbraw/zinc/48/10/47/1167481047.db2.gz BXWLCMNKPBXTIH-SECBINFHSA-N -1 1 313.325 0.386 20 0 DCADMM Cc1ccncc1CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592278912 1167482189 /nfs/dbraw/zinc/48/21/89/1167482189.db2.gz ODHYFVZCYIHTLO-UHFFFAOYSA-N -1 1 309.333 0.824 20 0 DCADMM Cc1ccncc1CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592278912 1167482193 /nfs/dbraw/zinc/48/21/93/1167482193.db2.gz ODHYFVZCYIHTLO-UHFFFAOYSA-N -1 1 309.333 0.824 20 0 DCADMM Cc1ccnc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592271555 1167483080 /nfs/dbraw/zinc/48/30/80/1167483080.db2.gz GFWGFZYPIBCEPB-SECBINFHSA-N -1 1 314.309 0.466 20 0 DCADMM Cc1[nH]nc(NC(=O)CCCC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001592327292 1167488373 /nfs/dbraw/zinc/48/83/73/1167488373.db2.gz BTWFLOYRECBGKM-UHFFFAOYSA-N -1 1 303.326 0.986 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCNC(=O)[C@@H]2CC(C)C)n1 ZINC001592339750 1167494970 /nfs/dbraw/zinc/49/49/70/1167494970.db2.gz CNOUJIBAWSGWFJ-NSHDSACASA-N -1 1 316.369 0.316 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCNC(=O)[C@@H]2CC(C)C)n1 ZINC001592339750 1167494974 /nfs/dbraw/zinc/49/49/74/1167494974.db2.gz CNOUJIBAWSGWFJ-NSHDSACASA-N -1 1 316.369 0.316 20 0 DCADMM Cc1nc(C)c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)s1 ZINC001592355470 1167504335 /nfs/dbraw/zinc/50/43/35/1167504335.db2.gz BCUXUZXNKMIPTP-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nc(C)c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)s1 ZINC001592355470 1167504338 /nfs/dbraw/zinc/50/43/38/1167504338.db2.gz BCUXUZXNKMIPTP-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nc(Cc2noc(-c3ccc(-c4nn[n-]n4)o3)n2)no1 ZINC001592362844 1167505830 /nfs/dbraw/zinc/50/58/30/1167505830.db2.gz ZZSNEXZQAJCYCB-UHFFFAOYSA-N -1 1 300.238 0.792 20 0 DCADMM Cc1nc(NCCN2CCOC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001592392243 1167512431 /nfs/dbraw/zinc/51/24/31/1167512431.db2.gz DIAYQZJMNMRUIR-VIFPVBQESA-N -1 1 304.358 0.098 20 0 DCADMM Cc1nccc(N2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)n1 ZINC001592416510 1167518136 /nfs/dbraw/zinc/51/81/36/1167518136.db2.gz DFZXDTKBKJVEEV-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nccc(N2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)n1 ZINC001592416510 1167518141 /nfs/dbraw/zinc/51/81/41/1167518141.db2.gz DFZXDTKBKJVEEV-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nn(C)c(Cl)c1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001592430899 1167520960 /nfs/dbraw/zinc/52/09/60/1167520960.db2.gz ABKOFHLAYCTZSD-UHFFFAOYSA-N -1 1 319.760 0.988 20 0 DCADMM Cc1nn(C)c(Cl)c1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001592430899 1167520967 /nfs/dbraw/zinc/52/09/67/1167520967.db2.gz ABKOFHLAYCTZSD-UHFFFAOYSA-N -1 1 319.760 0.988 20 0 DCADMM Cc1nn(CC(=O)c2cccs2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438439 1167523240 /nfs/dbraw/zinc/52/32/40/1167523240.db2.gz AINVQYJDRVMOET-UHFFFAOYSA-N -1 1 316.346 0.985 20 0 DCADMM Cc1nnc(CN(C)C(=O)Nc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592442284 1167524323 /nfs/dbraw/zinc/52/43/23/1167524323.db2.gz BNCKIXTXSWTGPU-UHFFFAOYSA-N -1 1 315.297 0.617 20 0 DCADMM Cc1nnc(CN(C)C(=O)Nc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592442284 1167524327 /nfs/dbraw/zinc/52/43/27/1167524327.db2.gz BNCKIXTXSWTGPU-UHFFFAOYSA-N -1 1 315.297 0.617 20 0 DCADMM Cc1nsc(NC(=O)N2CC(C(C)(C)O)C2)c1-c1nnn[n-]1 ZINC001592480008 1167533871 /nfs/dbraw/zinc/53/38/71/1167533871.db2.gz UHCMMXJWATWTSW-UHFFFAOYSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2CC(C(C)(C)O)C2)c1-c1nn[n-]n1 ZINC001592480008 1167533874 /nfs/dbraw/zinc/53/38/74/1167533874.db2.gz UHCMMXJWATWTSW-UHFFFAOYSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](CO)[C@H]2C)c1-c1nnn[n-]1 ZINC001592479944 1167535052 /nfs/dbraw/zinc/53/50/52/1167535052.db2.gz RNPJBYLXXFCZSI-HTQZYQBOSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](CO)[C@H]2C)c1-c1nn[n-]n1 ZINC001592479944 1167535056 /nfs/dbraw/zinc/53/50/56/1167535056.db2.gz RNPJBYLXXFCZSI-HTQZYQBOSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1ccn(C)c(=O)c1 ZINC001592503034 1167542092 /nfs/dbraw/zinc/54/20/92/1167542092.db2.gz AHRMWQOQZYEBNF-UHFFFAOYSA-N -1 1 315.289 0.824 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1ccn(C)c(=O)c1 ZINC001592503034 1167542099 /nfs/dbraw/zinc/54/20/99/1167542099.db2.gz AHRMWQOQZYEBNF-UHFFFAOYSA-N -1 1 315.289 0.824 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1CCN2C(=O)OC[C@H]12 ZINC001592503239 1167544241 /nfs/dbraw/zinc/54/42/41/1167544241.db2.gz DMVWGNXUTNLAIX-RKDXNWHRSA-N -1 1 319.277 0.518 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1CCN2C(=O)OC[C@H]12 ZINC001592503239 1167544245 /nfs/dbraw/zinc/54/42/45/1167544245.db2.gz DMVWGNXUTNLAIX-RKDXNWHRSA-N -1 1 319.277 0.518 20 0 DCADMM Cc1oc(C=O)cc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592509281 1167544837 /nfs/dbraw/zinc/54/48/37/1167544837.db2.gz WQWWOBZIEUQXHQ-UHFFFAOYSA-N -1 1 312.289 0.906 20 0 DCADMM Cc1oc(C=O)cc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592509281 1167544845 /nfs/dbraw/zinc/54/48/45/1167544845.db2.gz WQWWOBZIEUQXHQ-UHFFFAOYSA-N -1 1 312.289 0.906 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCC=CO2)c1-c1nnn[n-]1 ZINC001592517592 1167546443 /nfs/dbraw/zinc/54/64/43/1167546443.db2.gz NBDVCGHSHBXCNE-SECBINFHSA-N -1 1 304.310 0.515 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCC=CO2)c1-c1nn[n-]n1 ZINC001592517592 1167546451 /nfs/dbraw/zinc/54/64/51/1167546451.db2.gz NBDVCGHSHBXCNE-SECBINFHSA-N -1 1 304.310 0.515 20 0 DCADMM Clc1cnn([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001592539138 1167550831 /nfs/dbraw/zinc/55/08/31/1167550831.db2.gz UIZWMVFEIMQVDM-VIFPVBQESA-N -1 1 317.744 0.958 20 0 DCADMM Clc1ccc(N2CC[C@H](n3cncn3)C2)nc1-c1nnn[n-]1 ZINC001592532340 1167551399 /nfs/dbraw/zinc/55/13/99/1167551399.db2.gz MCBOVXGTULSMAM-QMMMGPOBSA-N -1 1 317.744 0.958 20 0 DCADMM Clc1ccc(N2CC[C@H](n3cncn3)C2)nc1-c1nn[n-]n1 ZINC001592532340 1167551407 /nfs/dbraw/zinc/55/14/07/1167551407.db2.gz MCBOVXGTULSMAM-QMMMGPOBSA-N -1 1 317.744 0.958 20 0 DCADMM Cn1c(C=O)ccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592554755 1167557707 /nfs/dbraw/zinc/55/77/07/1167557707.db2.gz IJAGJIHQIPFCJA-UHFFFAOYSA-N -1 1 312.289 0.976 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(F)cc(F)c2)c1=O ZINC001592558123 1167558539 /nfs/dbraw/zinc/55/85/39/1167558539.db2.gz PGIKSEZRGWPAGZ-UHFFFAOYSA-N -1 1 320.259 0.054 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CC23CCOCC3)n1 ZINC001592559952 1167561194 /nfs/dbraw/zinc/56/11/94/1167561194.db2.gz QDFUENWMBMDOAS-VIFPVBQESA-N -1 1 318.341 0.291 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CC23CCOCC3)n1 ZINC001592559952 1167561201 /nfs/dbraw/zinc/56/12/01/1167561201.db2.gz QDFUENWMBMDOAS-VIFPVBQESA-N -1 1 318.341 0.291 20 0 DCADMM Cn1cc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)nn1 ZINC001592575330 1167565665 /nfs/dbraw/zinc/56/56/65/1167565665.db2.gz CZTVSLMNPDWNDK-UHFFFAOYSA-N -1 1 308.309 0.302 20 0 DCADMM Cn1cc(Cl)c(CNC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001592573739 1167566303 /nfs/dbraw/zinc/56/63/03/1167566303.db2.gz SREHQFCRLYWVOP-UHFFFAOYSA-N -1 1 307.701 0.777 20 0 DCADMM Cn1cc(Cl)c(CNC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001592573739 1167566308 /nfs/dbraw/zinc/56/63/08/1167566308.db2.gz SREHQFCRLYWVOP-UHFFFAOYSA-N -1 1 307.701 0.777 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)nn1 ZINC001592570274 1167566511 /nfs/dbraw/zinc/56/65/11/1167566511.db2.gz OPMISUOJTLLEEZ-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)nn1 ZINC001592570274 1167566514 /nfs/dbraw/zinc/56/65/14/1167566514.db2.gz OPMISUOJTLLEEZ-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cc(CCCOC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001592569790 1167566681 /nfs/dbraw/zinc/56/66/81/1167566681.db2.gz WQNFBRKTIRDYPK-UHFFFAOYSA-N -1 1 302.294 0.983 20 0 DCADMM Cn1cc(CCCOC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001592569790 1167566688 /nfs/dbraw/zinc/56/66/88/1167566688.db2.gz WQNFBRKTIRDYPK-UHFFFAOYSA-N -1 1 302.294 0.983 20 0 DCADMM Cn1nccc1CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592607768 1167580536 /nfs/dbraw/zinc/58/05/36/1167580536.db2.gz NCRACLWCPFMXKD-UHFFFAOYSA-N -1 1 311.353 0.922 20 0 DCADMM Cn1nccc1CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592607768 1167580547 /nfs/dbraw/zinc/58/05/47/1167580547.db2.gz NCRACLWCPFMXKD-UHFFFAOYSA-N -1 1 311.353 0.922 20 0 DCADMM Cn1nncc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001592611639 1167583273 /nfs/dbraw/zinc/58/32/73/1167583273.db2.gz NCYUWKZNCZSSDY-UHFFFAOYSA-N -1 1 308.305 0.358 20 0 DCADMM FC(F)(F)C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001592615287 1167586037 /nfs/dbraw/zinc/58/60/37/1167586037.db2.gz IAYINEYTXPFXBM-SSDOTTSWSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)(F)C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001592615287 1167586040 /nfs/dbraw/zinc/58/60/40/1167586040.db2.gz IAYINEYTXPFXBM-SSDOTTSWSA-N -1 1 315.259 0.814 20 0 DCADMM NC(=O)CCC1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001592725885 1167615387 /nfs/dbraw/zinc/61/53/87/1167615387.db2.gz DCWBDXBMOPEIOE-UHFFFAOYSA-N -1 1 301.354 0.744 20 0 DCADMM NC(=O)CCC1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001592725885 1167615393 /nfs/dbraw/zinc/61/53/93/1167615393.db2.gz DCWBDXBMOPEIOE-UHFFFAOYSA-N -1 1 301.354 0.744 20 0 DCADMM NS(=O)(=O)c1cccc(N2CCC[C@H]3C[C@H]32)c1-c1nn[n-]n1 ZINC001592747708 1167629999 /nfs/dbraw/zinc/62/99/99/1167629999.db2.gz AFLVHTFWXKXPNT-WCBMZHEXSA-N -1 1 320.378 0.503 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001592753506 1167631033 /nfs/dbraw/zinc/63/10/33/1167631033.db2.gz USMPXGIWUCUDOG-DTWKUNHWSA-N -1 1 303.326 0.348 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001592752967 1167631236 /nfs/dbraw/zinc/63/12/36/1167631236.db2.gz KBBKUSLQMVXHSI-UHFFFAOYSA-N -1 1 312.249 0.181 20 0 DCADMM O=C(C1CC1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001592773898 1167640833 /nfs/dbraw/zinc/64/08/33/1167640833.db2.gz MIFHOTABWIQVKE-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C(C1CC1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001592773898 1167640837 /nfs/dbraw/zinc/64/08/37/1167640837.db2.gz MIFHOTABWIQVKE-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C(C[C@@H]1C=CCC1)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001592811351 1167644201 /nfs/dbraw/zinc/64/42/01/1167644201.db2.gz YOZOVGFYHPFJMF-SNVBAGLBSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(C[C@@H]1C=CCC1)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001592811351 1167644209 /nfs/dbraw/zinc/64/42/09/1167644209.db2.gz YOZOVGFYHPFJMF-SNVBAGLBSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(CCCC1CC1)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001592836667 1167649139 /nfs/dbraw/zinc/64/91/39/1167649139.db2.gz GFYRIYXOCCDWES-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CCCC1CC1)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001592836667 1167649148 /nfs/dbraw/zinc/64/91/48/1167649148.db2.gz GFYRIYXOCCDWES-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CCc1cn[nH]c1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592856649 1167651476 /nfs/dbraw/zinc/65/14/76/1167651476.db2.gz BTDZCVJSKSXYGO-UHFFFAOYSA-N -1 1 304.339 0.295 20 0 DCADMM O=C(CCc1cn[nH]c1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592856649 1167651480 /nfs/dbraw/zinc/65/14/80/1167651480.db2.gz BTDZCVJSKSXYGO-UHFFFAOYSA-N -1 1 304.339 0.295 20 0 DCADMM O=C(CNc1ncncc1-c1nn[n-]n1)NCc1ccccc1 ZINC001592878675 1167655401 /nfs/dbraw/zinc/65/54/01/1167655401.db2.gz NTGCUCUIUXYVMY-UHFFFAOYSA-N -1 1 310.321 0.385 20 0 DCADMM O=C(COC(=O)c1sccc1-c1nn[n-]n1)c1cnccn1 ZINC001592885347 1167658177 /nfs/dbraw/zinc/65/81/77/1167658177.db2.gz FHOOIGJOXSDMLS-UHFFFAOYSA-N -1 1 316.302 0.758 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001592915647 1167666207 /nfs/dbraw/zinc/66/62/07/1167666207.db2.gz OQKYVSIWDBPPQT-MVWJERBFSA-N -1 1 300.322 0.240 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001592915647 1167666211 /nfs/dbraw/zinc/66/62/11/1167666211.db2.gz OQKYVSIWDBPPQT-MVWJERBFSA-N -1 1 300.322 0.240 20 0 DCADMM O=C(Cc1ccco1)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001592926280 1167668346 /nfs/dbraw/zinc/66/83/46/1167668346.db2.gz SAAILTFCOYBRTK-UHFFFAOYSA-N -1 1 314.309 0.021 20 0 DCADMM O=C(Cc1ccco1)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001592926280 1167668348 /nfs/dbraw/zinc/66/83/48/1167668348.db2.gz SAAILTFCOYBRTK-UHFFFAOYSA-N -1 1 314.309 0.021 20 0 DCADMM O=C(NC1(CCO)CC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592956342 1167673988 /nfs/dbraw/zinc/67/39/88/1167673988.db2.gz CMZJJRGTFRVMBX-UHFFFAOYSA-N -1 1 312.333 0.993 20 0 DCADMM O=C(NC1(CCO)CCOCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592956377 1167674157 /nfs/dbraw/zinc/67/41/57/1167674157.db2.gz FRTSVCYAZFQYEJ-UHFFFAOYSA-N -1 1 307.310 0.121 20 0 DCADMM O=C(NC1(CCO)CCOCC1)c1coc(-c2nn[n-]n2)c1 ZINC001592956377 1167674158 /nfs/dbraw/zinc/67/41/58/1167674158.db2.gz FRTSVCYAZFQYEJ-UHFFFAOYSA-N -1 1 307.310 0.121 20 0 DCADMM O=C(NC[C@@H](O)c1ccco1)c1cccc(-c2nnn[n-]2)n1 ZINC001593013399 1167686583 /nfs/dbraw/zinc/68/65/83/1167686583.db2.gz BYTKMLCCUPVBFN-SNVBAGLBSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@@H](O)c1ccco1)c1cccc(-c2nn[n-]n2)n1 ZINC001593013399 1167686584 /nfs/dbraw/zinc/68/65/84/1167686584.db2.gz BYTKMLCCUPVBFN-SNVBAGLBSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@@H](O)c1cccnc1)c1csc(-c2nn[n-]n2)c1 ZINC001593013383 1167686977 /nfs/dbraw/zinc/68/69/77/1167686977.db2.gz BFVUUWPFMGTPQM-SNVBAGLBSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@@H](CO)[C@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001593006596 1167687293 /nfs/dbraw/zinc/68/72/93/1167687293.db2.gz PMPSXYHMKLNWMC-WPRPVWTQSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@H](O)COCC1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593016963 1167688416 /nfs/dbraw/zinc/68/84/16/1167688416.db2.gz XLAVGFIQCJGXJM-JTQLQIEISA-N -1 1 323.378 0.446 20 0 DCADMM O=C(NCC1(Br)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593017257 1167689281 /nfs/dbraw/zinc/68/92/81/1167689281.db2.gz SGLXRWXDMYMNRO-UHFFFAOYSA-N -1 1 323.154 0.919 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)C1(C2CC2)CC1 ZINC001593091897 1167704830 /nfs/dbraw/zinc/70/48/30/1167704830.db2.gz QHBHGXOAVBBXFX-UHFFFAOYSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)C1(C2CC2)CC1 ZINC001593091897 1167704840 /nfs/dbraw/zinc/70/48/40/1167704840.db2.gz QHBHGXOAVBBXFX-UHFFFAOYSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)Nc1cccc(F)c1 ZINC001593111434 1167712428 /nfs/dbraw/zinc/71/24/28/1167712428.db2.gz BOTMJROIHXODAZ-UHFFFAOYSA-N -1 1 317.288 0.419 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccn(C(F)F)n1 ZINC001593146007 1167722570 /nfs/dbraw/zinc/72/25/70/1167722570.db2.gz DTUIHAAZKRFOJO-UHFFFAOYSA-N -1 1 320.263 0.783 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccn(C(F)F)n1 ZINC001593146007 1167722579 /nfs/dbraw/zinc/72/25/79/1167722579.db2.gz DTUIHAAZKRFOJO-UHFFFAOYSA-N -1 1 320.263 0.783 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccc(CO)c1 ZINC001593146231 1167722629 /nfs/dbraw/zinc/72/26/29/1167722629.db2.gz KYAMGQQUTYMLLT-UHFFFAOYSA-N -1 1 310.317 0.684 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccc(CO)c1 ZINC001593146231 1167722641 /nfs/dbraw/zinc/72/26/41/1167722641.db2.gz KYAMGQQUTYMLLT-UHFFFAOYSA-N -1 1 310.317 0.684 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1CCC(O)CC1 ZINC001593147167 1167723224 /nfs/dbraw/zinc/72/32/24/1167723224.db2.gz DOHYNSJJHCIYSC-UHFFFAOYSA-N -1 1 302.338 0.429 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1CCC(O)CC1 ZINC001593147167 1167723230 /nfs/dbraw/zinc/72/32/30/1167723230.db2.gz DOHYNSJJHCIYSC-UHFFFAOYSA-N -1 1 302.338 0.429 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccc2cccnn21 ZINC001593146636 1167724818 /nfs/dbraw/zinc/72/48/18/1167724818.db2.gz XWWDOBHXPQIBSR-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccc2cccnn21 ZINC001593146636 1167724822 /nfs/dbraw/zinc/72/48/22/1167724822.db2.gz XWWDOBHXPQIBSR-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N1CCC[C@@H](O)CC1 ZINC001593149264 1167727860 /nfs/dbraw/zinc/72/78/60/1167727860.db2.gz LTBLAPGNCSJGAX-MRVPVSSYSA-N -1 1 323.382 0.380 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N1CCC[C@@H](O)CC1 ZINC001593149264 1167727866 /nfs/dbraw/zinc/72/78/66/1167727866.db2.gz LTBLAPGNCSJGAX-MRVPVSSYSA-N -1 1 323.382 0.380 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001593151220 1167728061 /nfs/dbraw/zinc/72/80/61/1167728061.db2.gz RRSMSNLTAFLTEP-LYIWLLOFSA-N -1 1 305.367 0.921 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001593151220 1167728069 /nfs/dbraw/zinc/72/80/69/1167728069.db2.gz RRSMSNLTAFLTEP-LYIWLLOFSA-N -1 1 305.367 0.921 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001593242806 1167743661 /nfs/dbraw/zinc/74/36/61/1167743661.db2.gz CBDFGCZVLZWJBY-DTORHVGOSA-N -1 1 301.310 0.657 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001593242806 1167743666 /nfs/dbraw/zinc/74/36/66/1167743666.db2.gz CBDFGCZVLZWJBY-DTORHVGOSA-N -1 1 301.310 0.657 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@H]2COC[C@@H]2C1 ZINC001593256092 1167746040 /nfs/dbraw/zinc/74/60/40/1167746040.db2.gz MFKAARJDIJTJCI-UWVGGRQHSA-N -1 1 315.337 0.762 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@H]2COC[C@@H]2C1 ZINC001593256092 1167746045 /nfs/dbraw/zinc/74/60/45/1167746045.db2.gz MFKAARJDIJTJCI-UWVGGRQHSA-N -1 1 315.337 0.762 20 0 DCADMM O=C([O-])C[NH+]1CCC(Nc2cccnc2-c2nn[n-]n2)CC1 ZINC001593278362 1167755773 /nfs/dbraw/zinc/75/57/73/1167755773.db2.gz AOKPPHVVAUINEN-UHFFFAOYSA-N -1 1 303.326 0.223 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(-c2nnn[n-]2)n1 ZINC001593285518 1167759531 /nfs/dbraw/zinc/75/95/31/1167759531.db2.gz VKGPAYPLJSXTSL-PTRXPTGYSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(-c2nn[n-]n2)n1 ZINC001593285518 1167759538 /nfs/dbraw/zinc/75/95/38/1167759538.db2.gz VKGPAYPLJSXTSL-PTRXPTGYSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OCC[C@H]1CCCNC1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001593287111 1167761659 /nfs/dbraw/zinc/76/16/59/1167761659.db2.gz DUMQPJWSHTWUGE-SECBINFHSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(OCC[C@H]1CCCNC1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001593287111 1167761666 /nfs/dbraw/zinc/76/16/66/1167761666.db2.gz DUMQPJWSHTWUGE-SECBINFHSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(OCc1cn(CC2CC2)nn1)c1ccc(-c2nn[n-]n2)o1 ZINC001593302604 1167767427 /nfs/dbraw/zinc/76/74/27/1167767427.db2.gz DPKUTCRQKURXDQ-UHFFFAOYSA-N -1 1 315.293 0.818 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC([C@H]2CCOC2)C1 ZINC001593337089 1167778675 /nfs/dbraw/zinc/77/86/75/1167778675.db2.gz NRPNYJSIRSCZCO-JTQLQIEISA-N -1 1 300.322 0.370 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC([C@H]2CCOC2)C1 ZINC001593337089 1167778683 /nfs/dbraw/zinc/77/86/83/1167778683.db2.gz NRPNYJSIRSCZCO-JTQLQIEISA-N -1 1 300.322 0.370 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(CCOCCO)C1CCC1 ZINC001593340397 1167780837 /nfs/dbraw/zinc/78/08/37/1167780837.db2.gz KGHUSXKCMLWUBQ-UHFFFAOYSA-N -1 1 321.337 0.463 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(CCOCCO)C1CCC1 ZINC001593340397 1167780845 /nfs/dbraw/zinc/78/08/45/1167780845.db2.gz KGHUSXKCMLWUBQ-UHFFFAOYSA-N -1 1 321.337 0.463 20 0 DCADMM O=C1[C@@H]2CSCN2C(=O)N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC001593377610 1167790311 /nfs/dbraw/zinc/79/03/11/1167790311.db2.gz KLHWBZUEQSSRQR-VIFPVBQESA-N -1 1 317.334 0.099 20 0 DCADMM O=C1[C@@H]2CSCN2C(=O)N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001593377610 1167790318 /nfs/dbraw/zinc/79/03/18/1167790318.db2.gz KLHWBZUEQSSRQR-VIFPVBQESA-N -1 1 317.334 0.099 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CC(=O)c2ccccc21 ZINC001593382407 1167793952 /nfs/dbraw/zinc/79/39/52/1167793952.db2.gz ACGMEEMQRBQZCE-SECBINFHSA-N -1 1 309.289 0.899 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CC(=O)c2ccccc21 ZINC001593382407 1167793961 /nfs/dbraw/zinc/79/39/61/1167793961.db2.gz ACGMEEMQRBQZCE-SECBINFHSA-N -1 1 309.289 0.899 20 0 DCADMM O=C1C[C@@H]([C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CN1 ZINC001593383262 1167794540 /nfs/dbraw/zinc/79/45/40/1167794540.db2.gz QOKRDTWMADRWII-MWLCHTKSSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1C[C@@H]([C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CN1 ZINC001593383262 1167794544 /nfs/dbraw/zinc/79/45/44/1167794544.db2.gz QOKRDTWMADRWII-MWLCHTKSSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001593394821 1167807095 /nfs/dbraw/zinc/80/70/95/1167807095.db2.gz ZXKJJDQBOTZKNH-UHFFFAOYSA-N -1 1 313.364 0.282 20 0 DCADMM O=C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001593394821 1167807109 /nfs/dbraw/zinc/80/71/09/1167807109.db2.gz ZXKJJDQBOTZKNH-UHFFFAOYSA-N -1 1 313.364 0.282 20 0 DCADMM O=C1CCCN1[C@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001593393260 1167807281 /nfs/dbraw/zinc/80/72/81/1167807281.db2.gz WUVFFMTZSONUMV-NSHDSACASA-N -1 1 313.365 0.853 20 0 DCADMM 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OCc1ccc(F)c(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001593535338 1167915764 /nfs/dbraw/zinc/91/57/64/1167915764.db2.gz SUWUEZQHRQCBPD-UHFFFAOYSA-N -1 1 302.269 0.867 20 0 DCADMM OCc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1F ZINC001593535156 1167916610 /nfs/dbraw/zinc/91/66/10/1167916610.db2.gz OEZVTWJOQYSKQK-UHFFFAOYSA-N -1 1 301.285 0.900 20 0 DCADMM OCc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1F ZINC001593535156 1167916621 /nfs/dbraw/zinc/91/66/21/1167916621.db2.gz OEZVTWJOQYSKQK-UHFFFAOYSA-N -1 1 301.285 0.900 20 0 DCADMM O[C@H]1CCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001593538336 1167922704 /nfs/dbraw/zinc/92/27/04/1167922704.db2.gz GKNBIIVIUFDTLK-ZETCQYMHSA-N -1 1 300.244 0.852 20 0 DCADMM O[C@H]1CCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001593538336 1167922710 /nfs/dbraw/zinc/92/27/10/1167922710.db2.gz GKNBIIVIUFDTLK-ZETCQYMHSA-N -1 1 300.244 0.852 20 0 DCADMM c1nnc2n1CCN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001593543416 1167925168 /nfs/dbraw/zinc/92/51/68/1167925168.db2.gz NQALCKXYFPWFFO-UHFFFAOYSA-N -1 1 310.325 0.146 20 0 DCADMM c1nnc2n1CCN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001593543416 1167925171 /nfs/dbraw/zinc/92/51/71/1167925171.db2.gz NQALCKXYFPWFFO-UHFFFAOYSA-N -1 1 310.325 0.146 20 0 DCADMM c1cc(CN2CCOC[C@H]2[C@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001593555461 1167934769 /nfs/dbraw/zinc/93/47/69/1167934769.db2.gz LMNJUIDYCCSWHB-UONOGXRCSA-N -1 1 316.365 0.642 20 0 DCADMM c1cc(N[C@@H]2CC[C@H]3SCCS[C@H]23)nc(-c2nn[n-]n2)n1 ZINC001593558705 1167937853 /nfs/dbraw/zinc/93/78/53/1167937853.db2.gz PGXSXGIVBLWRON-NQMVMOMDSA-N -1 1 321.435 0.870 20 0 DCADMM c1cc(N[C@H]2CCO[C@]3(CCSC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593558711 1167938300 /nfs/dbraw/zinc/93/83/00/1167938300.db2.gz PJCAUHUSAZBWRW-TVQRCGJNSA-N -1 1 319.394 0.545 20 0 DCADMM c1coc(-c2nnn(Cc3nc(-c4nnn[n-]4)cs3)n2)c1 ZINC001593589626 1167952311 /nfs/dbraw/zinc/95/23/11/1167952311.db2.gz IRGKPZCNJBPINW-UHFFFAOYSA-N -1 1 301.295 0.618 20 0 DCADMM c1coc(-c2nnn(Cc3nc(-c4nn[n-]n4)cs3)n2)c1 ZINC001593589626 1167952315 /nfs/dbraw/zinc/95/23/15/1167952315.db2.gz IRGKPZCNJBPINW-UHFFFAOYSA-N -1 1 301.295 0.618 20 0 DCADMM c1cnc(N[C@@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)nc1 ZINC001593585289 1167952526 /nfs/dbraw/zinc/95/25/26/1167952526.db2.gz YMDWLFHICBKVPZ-SECBINFHSA-N -1 1 310.325 0.138 20 0 DCADMM c1cnnc(N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001593589906 1167953165 /nfs/dbraw/zinc/95/31/65/1167953165.db2.gz XRLIIDINTBXOBI-UHFFFAOYSA-N -1 1 324.352 0.528 20 0 DCADMM c1cnnc(N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001593589906 1167953167 /nfs/dbraw/zinc/95/31/67/1167953167.db2.gz XRLIIDINTBXOBI-UHFFFAOYSA-N -1 1 324.352 0.528 20 0 DCADMM COC[C@H](NC(=O)C=Cc1ccc2c(c1)OCO2)c1nn[n-]n1 ZINC001595889471 1167980970 /nfs/dbraw/zinc/98/09/70/1167980970.db2.gz PZFJVKUNTZJBMA-ATPLWMGHSA-N -1 1 317.305 0.446 20 0 DCADMM O=C(NCc1nnc2c(=O)[nH]ccn12)c1cc(F)ccc1[O-] ZINC001596441367 1167992409 /nfs/dbraw/zinc/99/24/09/1167992409.db2.gz NYFCHEHTYPTQAN-UHFFFAOYSA-N -1 1 303.253 0.192 20 0 DCADMM 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Cc1[nH]c(C=O)cc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001605456494 1169927419 /nfs/dbraw/zinc/92/74/19/1169927419.db2.gz GOXJFYLFLMQUJH-UHFFFAOYSA-N -1 1 317.334 0.702 20 0 DCADMM CCN1CC[C@H]2OCCN(C(=O)c3cc(C(=O)[O-])on3)[C@H]2C1 ZINC001605486137 1169936000 /nfs/dbraw/zinc/93/60/00/1169936000.db2.gz NFCVDSQCMXYTER-WDEREUQCSA-N -1 1 309.322 0.308 20 0 DCADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c2nccn2c1 ZINC001605624121 1169976842 /nfs/dbraw/zinc/97/68/42/1169976842.db2.gz ABMOKRLCOZHOON-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c2nccn2c1 ZINC001605624121 1169976849 /nfs/dbraw/zinc/97/68/49/1169976849.db2.gz ABMOKRLCOZHOON-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1cc(COCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)no1 ZINC001605666795 1169983936 /nfs/dbraw/zinc/98/39/36/1169983936.db2.gz MNGUBQZALWHXMD-UHFFFAOYSA-N -1 1 318.297 0.052 20 0 DCADMM Cc1cc(COCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)no1 ZINC001605666795 1169983940 /nfs/dbraw/zinc/98/39/40/1169983940.db2.gz MNGUBQZALWHXMD-UHFFFAOYSA-N -1 1 318.297 0.052 20 0 DCADMM Cc1cc(N2CCN(c3cccnn3)CC2)cc(-c2nnn[n-]2)n1 ZINC001605700587 1169987527 /nfs/dbraw/zinc/98/75/27/1169987527.db2.gz XIAOZHMTAKKODR-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1cc(N2CCN(c3cccnn3)CC2)cc(-c2nn[n-]n2)n1 ZINC001605700587 1169987533 /nfs/dbraw/zinc/98/75/33/1169987533.db2.gz XIAOZHMTAKKODR-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001605843417 1170010077 /nfs/dbraw/zinc/01/00/77/1170010077.db2.gz GLBNJDRGYHEZBD-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001605843417 1170010081 /nfs/dbraw/zinc/01/00/81/1170010081.db2.gz GLBNJDRGYHEZBD-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM CCc1nc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)n[nH]1 ZINC001605850831 1170013268 /nfs/dbraw/zinc/01/32/68/1170013268.db2.gz YCXMSELMOLLFQP-CYBMUJFWSA-N -1 1 306.322 0.997 20 0 DCADMM Cc1ccc(N(C)CCNC(=O)C(C)C)nc1-c1nnn[n-]1 ZINC001605866141 1170016978 /nfs/dbraw/zinc/01/69/78/1170016978.db2.gz LQPLKOOUJIPINJ-UHFFFAOYSA-N -1 1 303.370 0.779 20 0 DCADMM Cc1ccc(N(C)CCNC(=O)C(C)C)nc1-c1nn[n-]n1 ZINC001605866141 1170016986 /nfs/dbraw/zinc/01/69/86/1170016986.db2.gz LQPLKOOUJIPINJ-UHFFFAOYSA-N -1 1 303.370 0.779 20 0 DCADMM Cc1ccnc([C@@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001605953692 1170035494 /nfs/dbraw/zinc/03/54/94/1170035494.db2.gz FVXRCXZTILWBIL-SNVBAGLBSA-N -1 1 324.348 0.780 20 0 DCADMM Cc1ccnc([C@@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001605953692 1170035495 /nfs/dbraw/zinc/03/54/95/1170035495.db2.gz FVXRCXZTILWBIL-SNVBAGLBSA-N -1 1 324.348 0.780 20 0 DCADMM Cc1csc(CCNC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001606000846 1170044049 /nfs/dbraw/zinc/04/40/49/1170044049.db2.gz IAFLMLJTZWALDV-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1csc(CCNC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001606000846 1170044056 /nfs/dbraw/zinc/04/40/56/1170044056.db2.gz IAFLMLJTZWALDV-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1[nH]nc(NC(=O)C(C)(C)n2cccn2)c1-c1nn[n-]n1 ZINC001606013472 1170049481 /nfs/dbraw/zinc/04/94/81/1170049481.db2.gz RAKULUHLXXEXOF-UHFFFAOYSA-N -1 1 301.314 0.469 20 0 DCADMM CN(C)C1(CNS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC001606013074 1170050186 /nfs/dbraw/zinc/05/01/86/1170050186.db2.gz XNWKNWMIUGXMAB-QWRGUYRKSA-N -1 1 304.412 0.643 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC3(CC2)OCCO3)n1 ZINC001606020395 1170053713 /nfs/dbraw/zinc/05/37/13/1170053713.db2.gz WRFOLIGYQRBEGF-UHFFFAOYSA-N -1 1 303.326 0.308 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC3(CC2)OCCO3)n1 ZINC001606020395 1170053715 /nfs/dbraw/zinc/05/37/15/1170053715.db2.gz WRFOLIGYQRBEGF-UHFFFAOYSA-N -1 1 303.326 0.308 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(Cc2nsc(N(C)C)n2)c1C ZINC001606023787 1170054050 /nfs/dbraw/zinc/05/40/50/1170054050.db2.gz HMTGCVUAGVJQDW-UHFFFAOYSA-N -1 1 305.371 0.646 20 0 DCADMM Cc1nc(-c2nn[n-]n2)n(Cc2nsc(N(C)C)n2)c1C ZINC001606023787 1170054056 /nfs/dbraw/zinc/05/40/56/1170054056.db2.gz HMTGCVUAGVJQDW-UHFFFAOYSA-N -1 1 305.371 0.646 20 0 DCADMM Cc1nc(N[C@@H]2CCS(=O)(=O)[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001606067858 1170069915 /nfs/dbraw/zinc/06/99/15/1170069915.db2.gz ZQCVRVJNVKZQME-VXNVDRBHSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1nc(N[C@@H]2CCS(=O)(=O)[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001606067858 1170069922 /nfs/dbraw/zinc/06/99/22/1170069922.db2.gz ZQCVRVJNVKZQME-VXNVDRBHSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1nn(C)c(NC(=O)C=Cc2cnn(C)c2)c1-c1nnn[n-]1 ZINC001606110035 1170078708 /nfs/dbraw/zinc/07/87/08/1170078708.db2.gz IJLBUNCOQZATBI-SNAWJCMRSA-N -1 1 313.325 0.294 20 0 DCADMM Cc1nn(C)c(NC(=O)C=Cc2cnn(C)c2)c1-c1nn[n-]n1 ZINC001606110035 1170078713 /nfs/dbraw/zinc/07/87/13/1170078713.db2.gz IJLBUNCOQZATBI-SNAWJCMRSA-N -1 1 313.325 0.294 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCCSC2)c1-c1nnn[n-]1 ZINC001606110137 1170079900 /nfs/dbraw/zinc/07/99/00/1170079900.db2.gz MDPJGTUTEDEVDZ-QMMMGPOBSA-N -1 1 307.383 0.990 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCCSC2)c1-c1nn[n-]n1 ZINC001606110137 1170079908 /nfs/dbraw/zinc/07/99/08/1170079908.db2.gz MDPJGTUTEDEVDZ-QMMMGPOBSA-N -1 1 307.383 0.990 20 0 DCADMM Cc1nn(CCC[C@H]2CCOC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114617 1170081557 /nfs/dbraw/zinc/08/15/57/1170081557.db2.gz YXFAWINSZRDRCB-NSHDSACASA-N -1 1 304.354 0.857 20 0 DCADMM CC1N=NC(=S)N1CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001606123831 1170085677 /nfs/dbraw/zinc/08/56/77/1170085677.db2.gz GIEIYMWWONALHK-UHFFFAOYSA-N -1 1 320.338 0.078 20 0 DCADMM CC1N=NC(=S)N1CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001606123831 1170085680 /nfs/dbraw/zinc/08/56/80/1170085680.db2.gz GIEIYMWWONALHK-UHFFFAOYSA-N -1 1 320.338 0.078 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001606166205 1170098376 /nfs/dbraw/zinc/09/83/76/1170098376.db2.gz PVFRHCWVPMOBFI-AWEZNQCLSA-N -1 1 316.321 0.120 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001606166205 1170098380 /nfs/dbraw/zinc/09/83/80/1170098380.db2.gz PVFRHCWVPMOBFI-AWEZNQCLSA-N -1 1 316.321 0.120 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1(CC(N)=O)CC1 ZINC001606166361 1170098781 /nfs/dbraw/zinc/09/87/81/1170098781.db2.gz BPCSAQDWXUQJCJ-UHFFFAOYSA-N -1 1 304.310 0.154 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1(CC(N)=O)CC1 ZINC001606166361 1170098785 /nfs/dbraw/zinc/09/87/85/1170098785.db2.gz BPCSAQDWXUQJCJ-UHFFFAOYSA-N -1 1 304.310 0.154 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@]1(C)CNC(=O)C1 ZINC001606169763 1170099489 /nfs/dbraw/zinc/09/94/89/1170099489.db2.gz RCXYADVUPCNEHP-ZDUSSCGKSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@]1(C)CNC(=O)C1 ZINC001606169763 1170099497 /nfs/dbraw/zinc/09/94/97/1170099497.db2.gz RCXYADVUPCNEHP-ZDUSSCGKSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1CCC(=O)NC1 ZINC001606169172 1170100074 /nfs/dbraw/zinc/10/00/74/1170100074.db2.gz DAARVTGTVFFPNL-MRVPVSSYSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1CCC(=O)NC1 ZINC001606169172 1170100079 /nfs/dbraw/zinc/10/00/79/1170100079.db2.gz DAARVTGTVFFPNL-MRVPVSSYSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@]1(O)CCO[C@@H]1C ZINC001606167265 1170101188 /nfs/dbraw/zinc/10/11/88/1170101188.db2.gz KHTLPVRUCIJTHC-OQPBUACISA-N -1 1 307.310 0.038 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@]1(O)CCO[C@@H]1C ZINC001606167265 1170101192 /nfs/dbraw/zinc/10/11/92/1170101192.db2.gz KHTLPVRUCIJTHC-OQPBUACISA-N -1 1 307.310 0.038 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)CO ZINC001606170694 1170102817 /nfs/dbraw/zinc/10/28/17/1170102817.db2.gz NJWJWXFNIGOYPT-MRVPVSSYSA-N -1 1 316.321 0.669 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)CO ZINC001606170694 1170102821 /nfs/dbraw/zinc/10/28/21/1170102821.db2.gz NJWJWXFNIGOYPT-MRVPVSSYSA-N -1 1 316.321 0.669 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@]3(CC3(F)F)C2)c1-c1nnn[n-]1 ZINC001606178223 1170104524 /nfs/dbraw/zinc/10/45/24/1170104524.db2.gz CJITYCURBMOGOC-GFCCVEGCSA-N -1 1 324.291 0.963 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@]3(CC3(F)F)C2)c1-c1nn[n-]n1 ZINC001606178223 1170104527 /nfs/dbraw/zinc/10/45/27/1170104527.db2.gz CJITYCURBMOGOC-GFCCVEGCSA-N -1 1 324.291 0.963 20 0 DCADMM CN(Cc1nnc[nH]1)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001606179068 1170104625 /nfs/dbraw/zinc/10/46/25/1170104625.db2.gz BMEWJMNEXCPUHY-UHFFFAOYSA-N -1 1 310.335 0.253 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H](C)CCCO)c1-c1nnn[n-]1 ZINC001606179915 1170104941 /nfs/dbraw/zinc/10/49/41/1170104941.db2.gz NTHHJSYDXUIGNQ-QMMMGPOBSA-N -1 1 308.342 0.230 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H](C)CCCO)c1-c1nn[n-]n1 ZINC001606179915 1170104946 /nfs/dbraw/zinc/10/49/46/1170104946.db2.gz NTHHJSYDXUIGNQ-QMMMGPOBSA-N -1 1 308.342 0.230 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2C[C@@H]3CCC[C@H]23)c(-c2nn[n-]n2)c1=O ZINC001606206336 1170112733 /nfs/dbraw/zinc/11/27/33/1170112733.db2.gz VOJJPOYPEPBLTN-BIIVOSGPSA-N -1 1 303.326 0.267 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccoc2)n1 ZINC001606222353 1170120965 /nfs/dbraw/zinc/12/09/65/1170120965.db2.gz COIBINQVCBFJMJ-UHFFFAOYSA-N -1 1 302.298 0.557 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccoc2)n1 ZINC001606222353 1170120969 /nfs/dbraw/zinc/12/09/69/1170120969.db2.gz COIBINQVCBFJMJ-UHFFFAOYSA-N -1 1 302.298 0.557 20 0 DCADMM C[N@H+]1CCN(C(=O)c2c[nH]cc3ncnc2-3)C[C@@H](C(=O)[O-])C1 ZINC001606236296 1170130148 /nfs/dbraw/zinc/13/01/48/1170130148.db2.gz WGLWBDWNTXIRFY-VIFPVBQESA-N -1 1 303.322 0.046 20 0 DCADMM C[N@H+]1CCN(Cc2nc(=O)c3sccc3[n-]2)C[C@H](C(=O)[O-])C1 ZINC001606244509 1170133862 /nfs/dbraw/zinc/13/38/62/1170133862.db2.gz JWGXTLHDZQJLBK-SECBINFHSA-N -1 1 322.390 0.845 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])Cc2cc(C3CC3)no2)CC1 ZINC001606242060 1170134738 /nfs/dbraw/zinc/13/47/38/1170134738.db2.gz YYXOQYIOLLQOGS-UHFFFAOYSA-N -1 1 322.409 0.686 20 0 DCADMM FC(F)CN1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001606297879 1170153596 /nfs/dbraw/zinc/15/35/96/1170153596.db2.gz ZPLGKDDOOALCKK-QMMMGPOBSA-N -1 1 310.312 0.078 20 0 DCADMM CNS(=O)(=O)C1CCN(Cc2cc(C(=O)[O-])cs2)CC1 ZINC001606298995 1170154310 /nfs/dbraw/zinc/15/43/10/1170154310.db2.gz OUACGNLKUVLJNT-UHFFFAOYSA-N -1 1 318.420 0.960 20 0 DCADMM FC(F)CN1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001606297876 1170154532 /nfs/dbraw/zinc/15/45/32/1170154532.db2.gz ZPLGKDDOOALCKK-MRVPVSSYSA-N -1 1 310.312 0.078 20 0 DCADMM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1Cc1n[nH]c(C(C)C)n1 ZINC001606374700 1170173480 /nfs/dbraw/zinc/17/34/80/1170173480.db2.gz HIWDXOIBVBGVIN-NXEZZACHSA-N -1 1 310.354 0.766 20 0 DCADMM NC(=O)C1(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)CC1 ZINC001606404904 1170187388 /nfs/dbraw/zinc/18/73/88/1170187388.db2.gz UDJZKSZILSAZJA-UHFFFAOYSA-N -1 1 322.275 0.027 20 0 DCADMM NC(=O)C1(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)CC1 ZINC001606404904 1170187390 /nfs/dbraw/zinc/18/73/90/1170187390.db2.gz UDJZKSZILSAZJA-UHFFFAOYSA-N -1 1 322.275 0.027 20 0 DCADMM NC(=O)[C@@H]1CSCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001606408750 1170188239 /nfs/dbraw/zinc/18/82/39/1170188239.db2.gz HNOKZCUIGMSKLH-QMMMGPOBSA-N -1 1 310.408 0.331 20 0 DCADMM COC(=O)[C@@H]1CCN(Cc2cncc(OC)c2)[C@@H](C(=O)[O-])C1 ZINC001606414705 1170191076 /nfs/dbraw/zinc/19/10/76/1170191076.db2.gz WNRZFNWWFLUGKK-DGCLKSJQSA-N -1 1 308.334 0.928 20 0 DCADMM COC(=O)[C@H]1CN(Cc2cc(C)c(C(=O)[O-])[nH]2)C[C@H]1C(=O)OC ZINC001606432139 1170199413 /nfs/dbraw/zinc/19/94/13/1170199413.db2.gz YKMUOAHSSYPIJH-PHIMTYICSA-N -1 1 324.333 0.415 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc2cc(F)ccc2[nH]1 ZINC001606446198 1170206784 /nfs/dbraw/zinc/20/67/84/1170206784.db2.gz HHFFGEYYVVRAJR-UHFFFAOYSA-N -1 1 312.268 0.954 20 0 DCADMM Nc1nnc(C2CCN(c3ncncc3-c3nn[n-]n3)CC2)o1 ZINC001606456407 1170211120 /nfs/dbraw/zinc/21/11/20/1170211120.db2.gz QJHJBDDYXGLTFA-UHFFFAOYSA-N -1 1 314.313 0.006 20 0 DCADMM COC(=O)c1cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])ccn1 ZINC001606533634 1170229664 /nfs/dbraw/zinc/22/96/64/1170229664.db2.gz VMUPMEWEOOIQBJ-SNVBAGLBSA-N -1 1 318.289 0.017 20 0 DCADMM COC(=O)c1cc(CN2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)[nH]c1C ZINC001606542316 1170231388 /nfs/dbraw/zinc/23/13/88/1170231388.db2.gz WMIUTTWJUYGRBG-NEPJUHHUSA-N -1 1 324.333 0.415 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCCCC[C@@H]1CO ZINC001606595157 1170240764 /nfs/dbraw/zinc/24/07/64/1170240764.db2.gz SBCUDYXKLSQLAR-GFCCVEGCSA-N -1 1 316.365 0.568 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCCCC[C@@H]1CO ZINC001606595157 1170240771 /nfs/dbraw/zinc/24/07/71/1170240771.db2.gz SBCUDYXKLSQLAR-GFCCVEGCSA-N -1 1 316.365 0.568 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001606621160 1170245329 /nfs/dbraw/zinc/24/53/29/1170245329.db2.gz ZYBKIAQXGJEDTC-QWRGUYRKSA-N -1 1 316.369 0.401 20 0 DCADMM COC(=O)c1cnc(N2CCN(CCC(=O)[O-])C[C@H]2C)nc1 ZINC001606628017 1170246494 /nfs/dbraw/zinc/24/64/94/1170246494.db2.gz FZWLNQOJCOZRFL-SNVBAGLBSA-N -1 1 308.338 0.248 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606635748 1170249447 /nfs/dbraw/zinc/24/94/47/1170249447.db2.gz XELLUVKKMSJQOA-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606635748 1170249450 /nfs/dbraw/zinc/24/94/50/1170249450.db2.gz XELLUVKKMSJQOA-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@H](CO)CC(F)F)c1ccsc1-c1nnn[n-]1 ZINC001606634907 1170249541 /nfs/dbraw/zinc/24/95/41/1170249541.db2.gz BVAKGUSHSAYVFK-YFKPBYRVSA-N -1 1 303.294 0.674 20 0 DCADMM O=C(N[C@H](CO)CC(F)F)c1ccsc1-c1nn[n-]n1 ZINC001606634907 1170249544 /nfs/dbraw/zinc/24/95/44/1170249544.db2.gz BVAKGUSHSAYVFK-YFKPBYRVSA-N -1 1 303.294 0.674 20 0 DCADMM O=C(N[C@H]1CCCC12OCCO2)c1coc(-c2nnn[n-]2)c1 ZINC001606668302 1170257639 /nfs/dbraw/zinc/25/76/39/1170257639.db2.gz YAVFPGVHQVQDNT-JTQLQIEISA-N -1 1 305.294 0.485 20 0 DCADMM O=C(N[C@H]1CCCC12OCCO2)c1coc(-c2nn[n-]n2)c1 ZINC001606668302 1170257644 /nfs/dbraw/zinc/25/76/44/1170257644.db2.gz YAVFPGVHQVQDNT-JTQLQIEISA-N -1 1 305.294 0.485 20 0 DCADMM O=C(NC[C@H](O)C1CCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606703304 1170267635 /nfs/dbraw/zinc/26/76/35/1170267635.db2.gz GITKXTVUDXIWBY-NSHDSACASA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@H](O)C1CCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606703304 1170267640 /nfs/dbraw/zinc/26/76/40/1170267640.db2.gz GITKXTVUDXIWBY-NSHDSACASA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001606708257 1170270897 /nfs/dbraw/zinc/27/08/97/1170270897.db2.gz XVROAYISWJQCSX-UHFFFAOYSA-N -1 1 300.326 0.127 20 0 DCADMM O=C(NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001606708257 1170270901 /nfs/dbraw/zinc/27/09/01/1170270901.db2.gz XVROAYISWJQCSX-UHFFFAOYSA-N -1 1 300.326 0.127 20 0 DCADMM COC1(OC)CCOC[C@@H]1NCc1cc(C(=O)[O-])c(C)n1C ZINC001606723747 1170273215 /nfs/dbraw/zinc/27/32/15/1170273215.db2.gz QWNPZARBFPLRJV-ZDUSSCGKSA-N -1 1 312.366 0.899 20 0 DCADMM O=C(NCCCOCCO)c1cccc(F)c1-c1nnn[n-]1 ZINC001606776326 1170286932 /nfs/dbraw/zinc/28/69/32/1170286932.db2.gz FCJGVVDBVGIWJQ-UHFFFAOYSA-N -1 1 309.301 0.135 20 0 DCADMM O=C(NCCCOCCO)c1cccc(F)c1-c1nn[n-]n1 ZINC001606776326 1170286935 /nfs/dbraw/zinc/28/69/35/1170286935.db2.gz FCJGVVDBVGIWJQ-UHFFFAOYSA-N -1 1 309.301 0.135 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1cccc(C2CC2)c1 ZINC001606802289 1170294701 /nfs/dbraw/zinc/29/47/01/1170294701.db2.gz KSYAYWGPBCEQBX-UHFFFAOYSA-N -1 1 324.348 0.766 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NC1CC2(CCC2)C1 ZINC001606803221 1170295720 /nfs/dbraw/zinc/29/57/20/1170295720.db2.gz RBNLHSQWTBTSBI-UHFFFAOYSA-N -1 1 317.357 0.090 20 0 DCADMM O=C(NC[C@H](O)C(F)(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001606803756 1170296308 /nfs/dbraw/zinc/29/63/08/1170296308.db2.gz LINJLIROYPUATL-ZETCQYMHSA-N -1 1 319.218 0.659 20 0 DCADMM O=C(NC[C@H](O)C(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001606803756 1170296314 /nfs/dbraw/zinc/29/63/14/1170296314.db2.gz LINJLIROYPUATL-ZETCQYMHSA-N -1 1 319.218 0.659 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H]1C[C@@H](CO)C1 ZINC001606830601 1170304949 /nfs/dbraw/zinc/30/49/49/1170304949.db2.gz HRRWDNPHROIYHP-OCAPTIKFSA-N -1 1 308.367 0.498 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1COCO1 ZINC001606831412 1170305661 /nfs/dbraw/zinc/30/56/61/1170305661.db2.gz YNLGISXTIXAYFS-ZETCQYMHSA-N -1 1 310.339 0.100 20 0 DCADMM COCC1(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)CC1 ZINC001606840160 1170309199 /nfs/dbraw/zinc/30/91/99/1170309199.db2.gz IWKGFORXICNTJJ-LBPRGKRZSA-N -1 1 313.398 0.603 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@H]1CCC[C@H]1CO ZINC001606844287 1170310961 /nfs/dbraw/zinc/31/09/61/1170310961.db2.gz LPICQZXWFXAUJB-YUMQZZPRSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@H]1CCC[C@H]1CO ZINC001606844287 1170310965 /nfs/dbraw/zinc/31/09/65/1170310965.db2.gz LPICQZXWFXAUJB-YUMQZZPRSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1cnn(CCF)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606843257 1170311580 /nfs/dbraw/zinc/31/15/80/1170311580.db2.gz MJHFXZNXJMFDOO-UHFFFAOYSA-N -1 1 305.273 0.556 20 0 DCADMM O=C(NCc1cnn(CCF)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001606843257 1170311578 /nfs/dbraw/zinc/31/15/78/1170311578.db2.gz MJHFXZNXJMFDOO-UHFFFAOYSA-N -1 1 305.273 0.556 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@H]1CCCCO1 ZINC001606844445 1170311671 /nfs/dbraw/zinc/31/16/71/1170311671.db2.gz PBIILQOGPBUDBN-MRVPVSSYSA-N -1 1 323.382 0.692 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@H]1CCCCO1 ZINC001606844445 1170311679 /nfs/dbraw/zinc/31/16/79/1170311679.db2.gz PBIILQOGPBUDBN-MRVPVSSYSA-N -1 1 323.382 0.692 20 0 DCADMM COC[C@@H]1CNCCN1C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001606847593 1170312336 /nfs/dbraw/zinc/31/23/36/1170312336.db2.gz HLFWVOQGVTVSET-JTQLQIEISA-N -1 1 323.349 0.846 20 0 DCADMM COCC[C@H]1CNCCN1C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1 ZINC001606864300 1170317943 /nfs/dbraw/zinc/31/79/43/1170317943.db2.gz ACABHWXCTMWFQA-XQQFMLRXSA-N -1 1 314.382 0.236 20 0 DCADMM COCCCOCC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001606871479 1170318947 /nfs/dbraw/zinc/31/89/47/1170318947.db2.gz LRJLJENCXYMJRC-GFCCVEGCSA-N -1 1 302.371 0.047 20 0 DCADMM COCCN(CC(=O)[O-])C(=O)c1n[nH]cc1Br ZINC001606881776 1170320514 /nfs/dbraw/zinc/32/05/14/1170320514.db2.gz ULHOZAFGODWCNZ-UHFFFAOYSA-N -1 1 306.116 0.345 20 0 DCADMM COCCN1[C@H](C)CN([C@@H](CCC(=O)[O-])C(=O)OC)C[C@@H]1C ZINC001606894782 1170323891 /nfs/dbraw/zinc/32/38/91/1170323891.db2.gz IGORHPPOCKQCAR-XQQFMLRXSA-N -1 1 316.398 0.434 20 0 DCADMM O=C(OCc1cc(=O)c(O)co1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606975333 1170344575 /nfs/dbraw/zinc/34/45/75/1170344575.db2.gz MAUFDPDVHNACSO-UHFFFAOYSA-N -1 1 315.245 0.278 20 0 DCADMM O=C(OCc1cc(=O)c(O)co1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606975333 1170344579 /nfs/dbraw/zinc/34/45/79/1170344579.db2.gz MAUFDPDVHNACSO-UHFFFAOYSA-N -1 1 315.245 0.278 20 0 DCADMM O=C(C[C@H]1CCC(=O)NC1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001607042412 1170365641 /nfs/dbraw/zinc/36/56/41/1170365641.db2.gz YWYFIVHBURVNBL-MRVPVSSYSA-N -1 1 305.294 0.419 20 0 DCADMM O=C(C[C@H]1CCC(=O)NC1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001607042412 1170365646 /nfs/dbraw/zinc/36/56/46/1170365646.db2.gz YWYFIVHBURVNBL-MRVPVSSYSA-N -1 1 305.294 0.419 20 0 DCADMM COc1cc(-c2noc(CN3CC[C@@](C)(C(=O)[O-])C3)n2)ncn1 ZINC001607045782 1170367244 /nfs/dbraw/zinc/36/72/44/1170367244.db2.gz BPIFWXIZBOELFY-CQSZACIVSA-N -1 1 319.321 0.832 20 0 DCADMM O=C1CC[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CCN1 ZINC001607044361 1170367667 /nfs/dbraw/zinc/36/76/67/1170367667.db2.gz QXWWRMAYMFFBSR-SECBINFHSA-N -1 1 324.348 0.891 20 0 DCADMM O=C1CC[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CCN1 ZINC001607044361 1170367675 /nfs/dbraw/zinc/36/76/75/1170367675.db2.gz QXWWRMAYMFFBSR-SECBINFHSA-N -1 1 324.348 0.891 20 0 DCADMM O=C1CN(c2ccc(-c3nnn[n-]3)nn2)Cc2ccccc2N1 ZINC001607047291 1170368148 /nfs/dbraw/zinc/36/81/48/1170368148.db2.gz GNRDUWCFHUWYGE-UHFFFAOYSA-N -1 1 308.305 0.615 20 0 DCADMM O=C1CN(c2ccc(-c3nn[n-]n3)nn2)Cc2ccccc2N1 ZINC001607047291 1170368155 /nfs/dbraw/zinc/36/81/55/1170368155.db2.gz GNRDUWCFHUWYGE-UHFFFAOYSA-N -1 1 308.305 0.615 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001607044334 1170368527 /nfs/dbraw/zinc/36/85/27/1170368527.db2.gz QXEKPRGCEOUSRW-BDAKNGLRSA-N -1 1 316.321 0.200 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001607044334 1170368538 /nfs/dbraw/zinc/36/85/38/1170368538.db2.gz QXEKPRGCEOUSRW-BDAKNGLRSA-N -1 1 316.321 0.200 20 0 DCADMM O=C1NCCC2(CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)O1 ZINC001607052481 1170373027 /nfs/dbraw/zinc/37/30/27/1170373027.db2.gz RYOCQKFGTAMBNU-UHFFFAOYSA-N -1 1 316.325 0.126 20 0 DCADMM O=CN1CCC(OC(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001607055749 1170374785 /nfs/dbraw/zinc/37/47/85/1170374785.db2.gz BQGGOGJHQUETQK-UHFFFAOYSA-N -1 1 319.296 0.783 20 0 DCADMM O=CN1CCC(OC(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001607055749 1170374792 /nfs/dbraw/zinc/37/47/92/1170374792.db2.gz BQGGOGJHQUETQK-UHFFFAOYSA-N -1 1 319.296 0.783 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)c(F)c1)N1CC[C@H](F)C1 ZINC001607070157 1170379107 /nfs/dbraw/zinc/37/91/07/1170379107.db2.gz KWRUJTHZPCMHCV-ZETCQYMHSA-N -1 1 315.305 0.738 20 0 DCADMM O=S1(=O)CCC[C@@H](Sc2nccnc2-c2nn[n-]n2)C1 ZINC001607074774 1170380278 /nfs/dbraw/zinc/38/02/78/1170380278.db2.gz ZPFYGMVUNARUFC-SSDOTTSWSA-N -1 1 312.380 0.326 20 0 DCADMM O=S1(=O)CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001607073846 1170381014 /nfs/dbraw/zinc/38/10/14/1170381014.db2.gz JYTKBVSRFANUQF-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM O=S1(=O)CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001607073846 1170381020 /nfs/dbraw/zinc/38/10/20/1170381020.db2.gz JYTKBVSRFANUQF-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM O=c1n(Cc2nc(-c3nnn[n-]3)cs2)nc2ccccn21 ZINC001607090438 1170387570 /nfs/dbraw/zinc/38/75/70/1170387570.db2.gz JFPWJXIEHDELKL-UHFFFAOYSA-N -1 1 300.307 0.181 20 0 DCADMM O=c1n(Cc2nc(-c3nn[n-]n3)cs2)nc2ccccn21 ZINC001607090438 1170387572 /nfs/dbraw/zinc/38/75/72/1170387572.db2.gz JFPWJXIEHDELKL-UHFFFAOYSA-N -1 1 300.307 0.181 20 0 DCADMM OC[C@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccoc1 ZINC001607104343 1170396219 /nfs/dbraw/zinc/39/62/19/1170396219.db2.gz WLLSPJWTIGYXQJ-JTQLQIEISA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccoc1 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COC[C@@H](C)N1CC2(C1)C[C@H](NC(=O)c1ncccc1[O-])CO2 ZINC001053784181 756202262 /nfs/dbraw/zinc/20/22/62/756202262.db2.gz HWDWQLJIYBMING-NEPJUHHUSA-N -1 1 321.377 0.395 20 0 DCADMM CO[C@H](C)CN1CC2(C1)C[C@@H](NC(=O)c1ncccc1[O-])CO2 ZINC001053784596 756203031 /nfs/dbraw/zinc/20/30/31/756203031.db2.gz RWSGRGOVAGILRJ-VXGBXAGGSA-N -1 1 321.377 0.395 20 0 DCADMM C[C@H]1CN(C(=O)c2ccncc2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054333889 756440345 /nfs/dbraw/zinc/44/03/45/756440345.db2.gz UVZLCIQDNXEAOC-GXSJLCMTSA-N -1 1 302.338 0.156 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054355834 756447016 /nfs/dbraw/zinc/44/70/16/756447016.db2.gz VUWMZHIIHZGTGO-ONGXEEELSA-N -1 1 321.406 0.751 20 0 DCADMM Cc1cccc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H](C)C2)n1 ZINC001054395547 756469646 /nfs/dbraw/zinc/46/96/46/756469646.db2.gz IAGCMLBVYHRDOG-CABZTGNLSA-N -1 1 316.365 0.464 20 0 DCADMM C[C@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054506211 756519064 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CCC[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051812624 758966017 /nfs/dbraw/zinc/96/60/17/758966017.db2.gz CTXCXUOKJBUJEP-IJLUTSLNSA-N -1 1 323.397 0.264 20 0 DCADMM CN(C[C@H]1CCN1[C@@H]1CCN(C)C1=O)C(=O)c1ncccc1[O-] ZINC001085561831 759043024 /nfs/dbraw/zinc/04/30/24/759043024.db2.gz WDSNJZDSOHDHDQ-VXGBXAGGSA-N -1 1 318.377 0.164 20 0 DCADMM CN(C[C@H]1CCN1CCn1cccn1)C(=O)c1ncccc1[O-] ZINC001085561878 759043427 /nfs/dbraw/zinc/04/34/27/759043427.db2.gz XJBIUPSGHZVLOY-CYBMUJFWSA-N -1 1 315.377 0.830 20 0 DCADMM CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001052420119 759408900 /nfs/dbraw/zinc/40/89/00/759408900.db2.gz CEUFNHFZCJGPID-VXGBXAGGSA-N -1 1 321.377 0.648 20 0 DCADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)C(F)F ZINC001052420621 759408952 /nfs/dbraw/zinc/40/89/52/759408952.db2.gz GEDBSLNNYUGDJZ-RKDXNWHRSA-N -1 1 313.304 0.877 20 0 DCADMM CC[C@@H](CC(F)(F)F)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001148067356 767907479 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/nfs/dbraw/zinc/37/75/05/767377505.db2.gz MCAHVPHLWAMNID-PHIMTYICSA-N -1 1 313.361 0.539 20 0 DCADMM Cc1cc(N[C@H](CO)CNC(=O)c2ncccc2[O-])ncn1 ZINC001121340528 767520916 /nfs/dbraw/zinc/52/09/16/767520916.db2.gz YSIKKBKAKDBUBT-JTQLQIEISA-N -1 1 303.322 0.088 20 0 DCADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)c1ccc2cnccc2c1 ZINC001146825683 767534359 /nfs/dbraw/zinc/53/43/59/767534359.db2.gz FOAMLBMLDYHNDM-UHFFFAOYSA-N -1 1 312.333 0.578 20 0 DCADMM CC(C)(CNC(=O)[C@]1(C(=O)[O-])CNCCO1)c1ccccc1F ZINC001121864628 767652766 /nfs/dbraw/zinc/65/27/66/767652766.db2.gz HMPHLHPNHGRIJJ-INIZCTEOSA-N -1 1 324.352 0.663 20 0 DCADMM CC(C)[C@H](CNC(=O)[C@]1(C(=O)[O-])CNCCO1)c1ccccc1 ZINC001121924643 767671145 /nfs/dbraw/zinc/67/11/45/767671145.db2.gz GDRQPFYWMXLSPG-YOEHRIQHSA-N -1 1 320.389 0.986 20 0 DCADMM O=C([O-])[C@]1(C(=O)N[C@H]2CCc3c2cccc3Cl)CNCCO1 ZINC001121933433 767672890 /nfs/dbraw/zinc/67/28/90/767672890.db2.gz SXGCTJXZIHQCOL-SWLSCSKDSA-N -1 1 324.764 0.887 20 0 DCADMM Cc1cccc(O[C@H](C)CNC(=O)[C@]2(C(=O)[O-])CNCCO2)c1 ZINC001121965614 767683100 /nfs/dbraw/zinc/68/31/00/767683100.db2.gz BCMLKSDMVJXOLZ-WBMJQRKESA-N -1 1 322.361 0.322 20 0 DCADMM Cc1nocc1CNCCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001147705276 767827728 /nfs/dbraw/zinc/82/77/28/767827728.db2.gz GULLXZMGWHGHLV-UHFFFAOYSA-N -1 1 317.305 0.744 20 0 DCADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)c1ccsn1 ZINC001092716035 768372908 /nfs/dbraw/zinc/37/29/08/768372908.db2.gz QJEWPPIKRKLMTR-RKDXNWHRSA-N -1 1 322.394 0.465 20 0 DCADMM CC(=O)N1CCOC[C@@]2(CN(Cc3ncccc3[O-])CCO2)C1 ZINC001138392226 768413005 /nfs/dbraw/zinc/41/30/05/768413005.db2.gz CEFCCBVHHJOSCT-MRXNPFEDSA-N -1 1 321.377 0.237 20 0 DCADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001093041541 768441867 /nfs/dbraw/zinc/44/18/67/768441867.db2.gz FSWIWLWMOZOUEQ-FOUMNBMASA-N -1 1 319.409 0.741 20 0 DCADMM COc1cccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1OCC(=O)[O-] ZINC001139268364 768464223 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CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@H](C)c1cccnc1 ZINC001320901010 946060211 /nfs/dbraw/zinc/06/02/11/946060211.db2.gz KBJMKEIKBXBFRV-LLVKDONJSA-N -1 1 318.381 0.647 20 0 DCADMM O=P([O-])([O-])CC[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253289170 946104164 /nfs/dbraw/zinc/10/41/64/946104164.db2.gz KQBQXAYQZHHJSU-ZDUSSCGKSA-N -1 1 303.295 0.722 20 0 DCADMM Cn1ccc(CNC/C=C/CNC(=O)c2ncccc2[O-])n1 ZINC001321031347 946128866 /nfs/dbraw/zinc/12/88/66/946128866.db2.gz WXFBLBJVNXQRTG-NSCUHMNNSA-N -1 1 301.350 0.597 20 0 DCADMM C[C@](O)(CNCC(=O)CCC(=O)[O-])C(=O)OCc1ccccc1 ZINC001253662955 946151304 /nfs/dbraw/zinc/15/13/04/946151304.db2.gz XHZRFBWGZNAFTB-INIZCTEOSA-N -1 1 323.345 0.504 20 0 DCADMM C[C@@H](CNC(=O)CC1(O)CCC1)NC(=O)c1ncccc1[O-] ZINC001410354446 946239558 /nfs/dbraw/zinc/23/95/58/946239558.db2.gz DHNNPBURCBAVJH-JTQLQIEISA-N -1 1 307.350 0.327 20 0 DCADMM NC(=O)NCCCCC(=O)OCC(=O)c1ccc([O-])cc1O ZINC001321324448 946278234 /nfs/dbraw/zinc/27/82/34/946278234.db2.gz ZNRFVUPYESCMGO-UHFFFAOYSA-N -1 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/nfs/dbraw/zinc/98/37/89/986983789.db2.gz GREDQBOBAHFIDT-MRVPVSSYSA-N -1 1 318.333 0.940 20 0 DCADMM Cc1nc(C)c(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])o1 ZINC001386235961 986984201 /nfs/dbraw/zinc/98/42/01/986984201.db2.gz GREDQBOBAHFIDT-QMMMGPOBSA-N -1 1 318.333 0.940 20 0 DCADMM C[C@H](CCNC(=O)Cc1cc[nH]n1)NC(=O)c1ncccc1[O-] ZINC001386666573 987286094 /nfs/dbraw/zinc/28/60/94/987286094.db2.gz RKVFSJAXWPFGQA-SNVBAGLBSA-N -1 1 317.349 0.378 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)Cc1nncn1C ZINC001450686224 1015297806 /nfs/dbraw/zinc/29/78/06/1015297806.db2.gz AQYKAVBZJPCCKV-UHFFFAOYSA-N -1 1 308.367 0.613 20 0 DCADMM CCC[C@H](OC)C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001386746262 987363969 /nfs/dbraw/zinc/36/39/69/987363969.db2.gz YWIUQKSGSLBFCH-PWSUYJOCSA-N -1 1 309.366 0.837 20 0 DCADMM O=C(CCc1nn[n-]n1)Nc1nnc(-c2ccncc2)s1 ZINC001546025475 1015322410 /nfs/dbraw/zinc/32/24/10/1015322410.db2.gz KNDADYWAQLKZMG-UHFFFAOYSA-N -1 1 302.323 0.685 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccnn1C ZINC001387184178 987689854 /nfs/dbraw/zinc/68/98/54/987689854.db2.gz XTFUNSVVTBSXNF-UHFFFAOYSA-N -1 1 317.349 0.413 20 0 DCADMM C[C@@H]1CO[C@@H](C(=O)N(C)CCNC(=O)c2ncccc2[O-])C1 ZINC001387695346 988034492 /nfs/dbraw/zinc/03/44/92/988034492.db2.gz FCNZNUNJIPIXLV-CMPLNLGQSA-N -1 1 307.350 0.400 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001387747556 988112910 /nfs/dbraw/zinc/11/29/10/988112910.db2.gz OOFLXIJEDQFZSO-GXSJLCMTSA-N -1 1 318.377 0.904 20 0 DCADMM CCO[C@@H](C)C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001387844184 988205277 /nfs/dbraw/zinc/20/52/77/988205277.db2.gz AHWZKPXLIXCLEM-JTQLQIEISA-N -1 1 307.350 0.400 20 0 DCADMM CC(C)(C)N1CC[C@H]1CNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001589818869 988277141 /nfs/dbraw/zinc/27/71/41/988277141.db2.gz XWNLHLQWIHWHFA-JTQLQIEISA-N -1 1 304.412 0.786 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1nc(C)c[nH]1 ZINC001388057853 988438348 /nfs/dbraw/zinc/43/83/48/988438348.db2.gz RBWDKMTVUTVVQS-SNVBAGLBSA-N -1 1 317.349 0.757 20 0 DCADMM CCc1nc(CNC(=O)Nc2nc(CC(=O)[O-])cs2)n[nH]1 ZINC001597670239 988766255 /nfs/dbraw/zinc/76/62/55/988766255.db2.gz URGQZKLUGPSMKT-UHFFFAOYSA-N -1 1 310.339 0.772 20 0 DCADMM CCc1nc(NC(=O)CN[C@H]2CCO[C@H]2C(=O)[O-])sc1C ZINC001597679763 988802343 /nfs/dbraw/zinc/80/23/43/988802343.db2.gz ATIGTTKEEAZIKT-GXSJLCMTSA-N -1 1 313.379 0.784 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001389369207 989166487 /nfs/dbraw/zinc/16/64/87/989166487.db2.gz LFXQDOMIAIEWPR-QXEWZRGKSA-N -1 1 318.377 0.950 20 0 DCADMM C[C@@H]1CNCCN1C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001599872847 989375904 /nfs/dbraw/zinc/37/59/04/989375904.db2.gz JWJILXOVWRXWGM-MRVPVSSYSA-N -1 1 309.297 0.283 20 0 DCADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)COC ZINC001389611562 989429849 /nfs/dbraw/zinc/42/98/49/989429849.db2.gz YDWZEHOOPOZHQE-NEPJUHHUSA-N -1 1 321.377 0.791 20 0 DCADMM C[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001532952664 1015477565 /nfs/dbraw/zinc/47/75/65/1015477565.db2.gz MLLDWIHSENLLKR-NWDGAFQWSA-N -1 1 321.377 0.743 20 0 DCADMM C[C@H](CCNC(=O)[C@H]1CCCOC1)NC(=O)c1ncccc1[O-] ZINC001527484373 1015479817 /nfs/dbraw/zinc/47/98/17/1015479817.db2.gz CNXXHNXAVJDBDX-NEPJUHHUSA-N -1 1 321.377 0.838 20 0 DCADMM CO[C@H](C)CC(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001527524301 1015489386 /nfs/dbraw/zinc/48/93/86/1015489386.db2.gz HZAJJBNFGURXFG-GHMZBOCLSA-N -1 1 309.366 0.837 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H](CNC(=O)CCC3CC3)C2)nc1=O ZINC001390049558 989775362 /nfs/dbraw/zinc/77/53/62/989775362.db2.gz MCLGRFAHCLUJRX-ZDUSSCGKSA-N -1 1 321.425 0.627 20 0 DCADMM CCn1cncc1CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001597923258 989862197 /nfs/dbraw/zinc/86/21/97/989862197.db2.gz ZNCRECCAMDTOKB-OAHLLOKOSA-N -1 1 308.382 0.264 20 0 DCADMM CCn1nc(C)c(CN(C)CCc2cn(CC(=O)[O-])nn2)c1C ZINC001597933542 989896202 /nfs/dbraw/zinc/89/62/02/989896202.db2.gz MWVJCAMSEKDXIQ-UHFFFAOYSA-N -1 1 320.397 0.870 20 0 DCADMM CCn1ncc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001597957182 989968803 /nfs/dbraw/zinc/96/88/03/989968803.db2.gz ODASZLYTIDOTHL-LYIQGSDWSA-N -1 1 321.381 0.003 20 0 DCADMM CC[C@@H](CNC(=O)C1(COC)CC1)NC(=O)c1ncccc1[O-] ZINC001451016367 1015533731 /nfs/dbraw/zinc/53/37/31/1015533731.db2.gz WPTJZYUSPRELBM-NSHDSACASA-N -1 1 321.377 0.838 20 0 DCADMM CN(CCNC(=O)c1cnc(C2CC2)[n-]c1=O)Cc1cnon1 ZINC001390830180 990421736 /nfs/dbraw/zinc/42/17/36/990421736.db2.gz LDZNBZWEQMTQHI-UHFFFAOYSA-N -1 1 318.337 0.304 20 0 DCADMM CN(C)C(=O)CCN1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC001598126285 990557020 /nfs/dbraw/zinc/55/70/20/990557020.db2.gz LNADPVLRYRTIKF-UHFFFAOYSA-N -1 1 306.366 0.380 20 0 DCADMM C[C@H](CNC(=O)Cn1cccn1)CNC(=O)c1ncccc1[O-] ZINC001391173984 990641292 /nfs/dbraw/zinc/64/12/92/990641292.db2.gz XLNOKVTXWSSVQX-LLVKDONJSA-N -1 1 317.349 0.166 20 0 DCADMM Cc1ccc(C)c(C2=NO[C@H](C(=O)N(C)c3nn[n-]n3)C2)c1 ZINC001552963543 1015580202 /nfs/dbraw/zinc/58/02/02/1015580202.db2.gz UUPZKTYTTQMKEA-LBPRGKRZSA-N -1 1 300.322 0.973 20 0 DCADMM C[C@@H](CNC(=O)c1n[nH]cc1F)CNC(=O)c1ncccc1[O-] ZINC001391239277 990692980 /nfs/dbraw/zinc/69/29/80/990692980.db2.gz CNKKOAQIXCAREZ-QMMMGPOBSA-N -1 1 321.312 0.445 20 0 DCADMM C[C@H](CNC(=O)c1n[nH]cc1F)CNC(=O)c1ncccc1[O-] ZINC001391239272 990693207 /nfs/dbraw/zinc/69/32/07/990693207.db2.gz CNKKOAQIXCAREZ-MRVPVSSYSA-N -1 1 321.312 0.445 20 0 DCADMM CCCN(C(=O)c1ncccc1[O-])[C@H]1CCN(CC(N)=O)C1 ZINC001391282975 990716358 /nfs/dbraw/zinc/71/63/58/990716358.db2.gz QUWLSPAVTJCADB-NSHDSACASA-N -1 1 306.366 0.199 20 0 DCADMM CN(C)CCN(C)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001598224451 990908783 /nfs/dbraw/zinc/90/87/83/990908783.db2.gz JUNMYCWCSHANBI-UHFFFAOYSA-N -1 1 300.380 0.708 20 0 DCADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CC(C)(C)O ZINC001391585042 990979360 /nfs/dbraw/zinc/97/93/60/990979360.db2.gz QRENDXMODXRBNA-LLVKDONJSA-N -1 1 323.393 0.819 20 0 DCADMM COc1cccc([C@H](NC(=O)CCc2nc[nH]n2)C(=O)[O-])c1 ZINC001599685506 990981474 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C[C@@H](CNCc1nncs1)N(C)C(=O)c1ncccc1[O-] ZINC001392051968 991438960 /nfs/dbraw/zinc/43/89/60/991438960.db2.gz SUPJGGRQZSVIKK-VIFPVBQESA-N -1 1 307.379 0.889 20 0 DCADMM CC(C)[C@H]1CNCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC001591099016 991707334 /nfs/dbraw/zinc/70/73/34/991707334.db2.gz JOXWWXGCDPJPRD-MRVPVSSYSA-N -1 1 319.408 0.460 20 0 DCADMM COc1ncccc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599737674 991799464 /nfs/dbraw/zinc/79/94/64/991799464.db2.gz SYWUKCGSDOPYEN-CHWSQXEVSA-N -1 1 321.377 0.749 20 0 DCADMM COc1ncccc1CN(C)CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001599737674 991799470 /nfs/dbraw/zinc/79/94/70/991799470.db2.gz SYWUKCGSDOPYEN-CHWSQXEVSA-N -1 1 321.377 0.749 20 0 DCADMM CN(C[C@@H](O)Cc1ccccc1)[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001598437015 991836810 /nfs/dbraw/zinc/83/68/10/991836810.db2.gz LWCOXDBNRLRSLD-LSDHHAIUSA-N -1 1 320.389 0.597 20 0 DCADMM CN(C[C@@H]1CCS(=O)(=O)C1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598461196 991954952 /nfs/dbraw/zinc/95/49/52/991954952.db2.gz 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/nfs/dbraw/zinc/05/64/88/525056488.db2.gz WMQBHXRUDBJPJC-PELKAZGASA-N -1 1 307.318 0.783 20 0 DCADMM C[C@@H](c1nnnn1C1CCCCC1)S(=O)(=O)c1ncn[n-]1 ZINC000188936047 526191885 /nfs/dbraw/zinc/19/18/85/526191885.db2.gz JIZHKBYCZXPQQC-QMMMGPOBSA-N -1 1 311.371 0.831 20 0 DCADMM C[C@@H](c1nnnn1C1CCCCC1)S(=O)(=O)c1nc[n-]n1 ZINC000188936047 526191898 /nfs/dbraw/zinc/19/18/98/526191898.db2.gz JIZHKBYCZXPQQC-QMMMGPOBSA-N -1 1 311.371 0.831 20 0 DCADMM NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)O1 ZINC000131423683 526977943 /nfs/dbraw/zinc/97/79/43/526977943.db2.gz UTHOFDITPCMARQ-SCZZXKLOSA-N -1 1 320.317 0.276 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NN1CCCCC1 ZINC000128391442 527116480 /nfs/dbraw/zinc/11/64/80/527116480.db2.gz NBSIKGUSHSFUII-UHFFFAOYSA-N -1 1 303.366 0.699 20 0 DCADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1CNC(=O)C1 ZINC000189979366 527503996 /nfs/dbraw/zinc/50/39/96/527503996.db2.gz SUGGWLSKVONELF-RXMQYKEDSA-N -1 1 300.112 0.624 20 0 DCADMM CC(C)N1C[C@@H](NC(=O)c2ccc3n[n-]c(=S)n3c2)CC1=O ZINC000294627724 529096417 /nfs/dbraw/zinc/09/64/17/529096417.db2.gz SBTNWZDQGCTJAZ-JTQLQIEISA-N -1 1 319.390 0.757 20 0 DCADMM CCOCCC1(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)CCC1 ZINC000433240495 535464709 /nfs/dbraw/zinc/46/47/09/535464709.db2.gz OHIYMUGGAJLGHJ-UHFFFAOYSA-N -1 1 316.383 0.744 20 0 DCADMM CCOCCC1(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)CCC1 ZINC000433240495 535464712 /nfs/dbraw/zinc/46/47/12/535464712.db2.gz OHIYMUGGAJLGHJ-UHFFFAOYSA-N -1 1 316.383 0.744 20 0 DCADMM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)[C@@H]1CN(C)CCO1 ZINC000125813005 545764156 /nfs/dbraw/zinc/76/41/56/545764156.db2.gz XSHGEMYFLUFXST-CABZTGNLSA-N -1 1 320.361 0.962 20 0 DCADMM Cn1cc(-c2noc(-c3cc(F)ccc3[O-])n2)c(=O)n(C)c1=O ZINC000350856783 546163188 /nfs/dbraw/zinc/16/31/88/546163188.db2.gz FPARDXISOTYIBB-UHFFFAOYSA-N -1 1 318.264 0.646 20 0 DCADMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1ccnc2c1ncn2C ZINC000357682451 546188203 /nfs/dbraw/zinc/18/82/03/546188203.db2.gz ATWDNXXSZCLFIS-UHFFFAOYSA-N -1 1 313.321 0.034 20 0 DCADMM NC(=O)[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])CCO1 ZINC000667646164 546631377 /nfs/dbraw/zinc/63/13/77/546631377.db2.gz KYMSUNQNEFTCEC-NSHDSACASA-N -1 1 301.302 0.267 20 0 DCADMM COc1cc(CC(=O)NC2(c3nn[n-]n3)CCCC2)ccn1 ZINC000668870977 546865992 /nfs/dbraw/zinc/86/59/92/546865992.db2.gz JAMTUYWMPPVUAD-UHFFFAOYSA-N -1 1 302.338 0.732 20 0 DCADMM CS(=O)(=O)NC1CC(NC(=O)c2ccc([O-])cc2F)C1 ZINC000669925930 547031180 /nfs/dbraw/zinc/03/11/80/547031180.db2.gz SNOBVELXEBAZBV-UHFFFAOYSA-N -1 1 302.327 0.341 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOCC23CC3)o1 ZINC000670152388 547060059 /nfs/dbraw/zinc/06/00/59/547060059.db2.gz IEAAGYSZMQGHNV-UHFFFAOYSA-N -1 1 300.336 0.193 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cnn(CCF)c1 ZINC000672770618 547405654 /nfs/dbraw/zinc/40/56/54/547405654.db2.gz HIKYLCDGUZEBAX-GFCCVEGCSA-N -1 1 315.312 0.885 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)C(C)(C)O ZINC000673690746 547516746 /nfs/dbraw/zinc/51/67/46/547516746.db2.gz PLEUKVSQQLJRLC-SNVBAGLBSA-N -1 1 306.366 0.870 20 0 DCADMM Cn1nc2c(c1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1)CCCC2 ZINC000676044988 547730024 /nfs/dbraw/zinc/73/00/24/547730024.db2.gz NXWLAOQAANDXBK-UHFFFAOYSA-N -1 1 324.366 0.073 20 0 DCADMM Cn1nc2c(c1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)CCCC2 ZINC000676044988 547730026 /nfs/dbraw/zinc/73/00/26/547730026.db2.gz NXWLAOQAANDXBK-UHFFFAOYSA-N -1 1 324.366 0.073 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC1(C(N)=O)CCC1 ZINC000676671482 547802321 /nfs/dbraw/zinc/80/23/21/547802321.db2.gz BKICISUJTKSCHK-UHFFFAOYSA-N -1 1 317.349 0.118 20 0 DCADMM CCC[C@@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)c1nn[n-]n1 ZINC000676823687 547819876 /nfs/dbraw/zinc/81/98/76/547819876.db2.gz WBPSQTBCLKGHSB-VHSXEESVSA-N -1 1 304.358 0.320 20 0 DCADMM O=C(CCOC[C@@H]1CCCO1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677047598 547841779 /nfs/dbraw/zinc/84/17/79/547841779.db2.gz FPVHZDLQPMMCFX-NEPJUHHUSA-N -1 1 309.370 0.491 20 0 DCADMM NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000678310851 547963334 /nfs/dbraw/zinc/96/33/34/547963334.db2.gz LDWOCWCMACDUKQ-VIFPVBQESA-N -1 1 302.327 0.424 20 0 DCADMM NC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)n[nH]1 ZINC000679202536 548033966 /nfs/dbraw/zinc/03/39/66/548033966.db2.gz IUQFPVRNGHBDTL-UHFFFAOYSA-N -1 1 316.289 0.729 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(N(C)C)ccn2)o1 ZINC000680256104 548125535 /nfs/dbraw/zinc/12/55/35/548125535.db2.gz VPPNRYVZYFMTOW-UHFFFAOYSA-N -1 1 324.362 0.901 20 0 DCADMM CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681022444 548193880 /nfs/dbraw/zinc/19/38/80/548193880.db2.gz HXSJUAQDUSRYTC-SNVBAGLBSA-N -1 1 316.354 0.685 20 0 DCADMM NC(=O)C[C@H](NC(=O)c1ccc([O-])c(F)c1)C1CCOCC1 ZINC000681052000 548195477 /nfs/dbraw/zinc/19/54/77/548195477.db2.gz LQJSMSJOMVLQBA-LBPRGKRZSA-N -1 1 310.325 0.932 20 0 DCADMM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681058531 548197276 /nfs/dbraw/zinc/19/72/76/548197276.db2.gz OSHJPBJIAUQFNQ-VIFPVBQESA-N -1 1 316.354 0.543 20 0 DCADMM Cc1cnc(C(=O)NCCCN(C)S(C)(=O)=O)c([O-])c1 ZINC000681711760 548283640 /nfs/dbraw/zinc/28/36/40/548283640.db2.gz QJJLGIFIWWHFAU-UHFFFAOYSA-N -1 1 301.368 0.107 20 0 DCADMM CC[C@H](C)c1nc([C@H](C)NC(=O)c2n[nH]c(=O)[n-]c2=O)n[nH]1 ZINC000683136991 548453714 /nfs/dbraw/zinc/45/37/14/548453714.db2.gz KTKFUBCHFGZNHU-WDSKDSINSA-N -1 1 307.314 0.405 20 0 DCADMM C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1 ZINC000683497987 548493111 /nfs/dbraw/zinc/49/31/11/548493111.db2.gz XOGZPGXKCYDQLW-WDEREUQCSA-N -1 1 306.370 0.164 20 0 DCADMM O=C(NC[C@H]1CCCC(=O)N1)c1nc2ccccc2c(=O)[n-]1 ZINC000683934370 548539303 /nfs/dbraw/zinc/53/93/03/548539303.db2.gz KWPJYRQUKHMDFP-SECBINFHSA-N -1 1 300.318 0.322 20 0 DCADMM CCc1cc(C)cc(CC)c1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000684634842 548635424 /nfs/dbraw/zinc/63/54/24/548635424.db2.gz RWFJLOCIPKWCSI-UHFFFAOYSA-N -1 1 316.365 0.888 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC2CCOCC2)c1 ZINC000736939952 598892151 /nfs/dbraw/zinc/89/21/51/598892151.db2.gz JSAKEWKKCULDNE-UHFFFAOYSA-N -1 1 319.321 0.242 20 0 DCADMM Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C(N)=O ZINC000737399378 598994872 /nfs/dbraw/zinc/99/48/72/598994872.db2.gz JIZRYXZSHUHXEH-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C(N)=O ZINC000737399378 598994874 /nfs/dbraw/zinc/99/48/74/598994874.db2.gz JIZRYXZSHUHXEH-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1nc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000737476835 599024143 /nfs/dbraw/zinc/02/41/43/599024143.db2.gz FXNZHZOMWREWFB-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1nc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000737476835 599024145 /nfs/dbraw/zinc/02/41/45/599024145.db2.gz FXNZHZOMWREWFB-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(C)(C)C ZINC000736119781 599024790 /nfs/dbraw/zinc/02/47/90/599024790.db2.gz RIHQAAAOFNQFHN-MRVPVSSYSA-N -1 1 317.353 0.295 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(C)(C)C ZINC000736119781 599024792 /nfs/dbraw/zinc/02/47/92/599024792.db2.gz RIHQAAAOFNQFHN-MRVPVSSYSA-N -1 1 317.353 0.295 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC(Oc2ccncc2)C1 ZINC000738259754 599029028 /nfs/dbraw/zinc/02/90/28/599029028.db2.gz VOBNBDRSZMJVPK-UHFFFAOYSA-N -1 1 323.316 0.560 20 0 DCADMM Cn1cc([C@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000822669737 599040839 /nfs/dbraw/zinc/04/08/39/599040839.db2.gz NIOPDFHFMXQHGM-SECBINFHSA-N -1 1 320.744 0.794 20 0 DCADMM Cn1cc([C@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000822669737 599040841 /nfs/dbraw/zinc/04/08/41/599040841.db2.gz NIOPDFHFMXQHGM-SECBINFHSA-N -1 1 320.744 0.794 20 0 DCADMM O=C(OCCOC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738224417 599057360 /nfs/dbraw/zinc/05/73/60/599057360.db2.gz PSEUXFXLOWGXKI-LLVKDONJSA-N -1 1 319.321 0.614 20 0 DCADMM O=C(OCCOC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738224417 599057363 /nfs/dbraw/zinc/05/73/63/599057363.db2.gz PSEUXFXLOWGXKI-LLVKDONJSA-N -1 1 319.321 0.614 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CC1=O ZINC000820675210 599092542 /nfs/dbraw/zinc/09/25/42/599092542.db2.gz IJZKFGHJVPWVEM-HRDYMLBCSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CC1=O ZINC000820675210 599092545 /nfs/dbraw/zinc/09/25/45/599092545.db2.gz IJZKFGHJVPWVEM-HRDYMLBCSA-N -1 1 300.326 0.078 20 0 DCADMM CCn1nc2c(cc1=O)CN(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC000821568260 599102744 /nfs/dbraw/zinc/10/27/44/599102744.db2.gz ODWSFLVSCFSTQP-UHFFFAOYSA-N -1 1 324.348 0.401 20 0 DCADMM CCn1nc2c(cc1=O)CN(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC000821568260 599102745 /nfs/dbraw/zinc/10/27/45/599102745.db2.gz ODWSFLVSCFSTQP-UHFFFAOYSA-N -1 1 324.348 0.401 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cnccn1 ZINC000821601602 599141875 /nfs/dbraw/zinc/14/18/75/599141875.db2.gz PXNOSGDHMZIEMG-UHFFFAOYSA-N -1 1 300.330 0.031 20 0 DCADMM CCNC(=O)NCCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736575950 599153952 /nfs/dbraw/zinc/15/39/52/599153952.db2.gz MWWBARRCNIFRLP-UHFFFAOYSA-N -1 1 319.325 0.128 20 0 DCADMM CCNC(=O)NCCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736575950 599153954 /nfs/dbraw/zinc/15/39/54/599153954.db2.gz MWWBARRCNIFRLP-UHFFFAOYSA-N -1 1 319.325 0.128 20 0 DCADMM O=C([O-])CSCC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000740487007 597099052 /nfs/dbraw/zinc/09/90/52/597099052.db2.gz CXURWXZUAPJVKM-UHFFFAOYSA-N -1 1 323.418 0.980 20 0 DCADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H](C)C(=O)[O-] ZINC000738149526 597176881 /nfs/dbraw/zinc/17/68/81/597176881.db2.gz RNAHMNADAGMKIF-MRVPVSSYSA-N -1 1 317.305 0.079 20 0 DCADMM CC(=O)NCCN(Cc1cn2cccnc2n1)[C@H](C)C(=O)[O-] ZINC000819781262 597678162 /nfs/dbraw/zinc/67/81/62/597678162.db2.gz SKEOPFBFXZWCEL-SNVBAGLBSA-N -1 1 305.338 0.141 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCCCC1 ZINC000738353700 598260044 /nfs/dbraw/zinc/26/00/44/598260044.db2.gz FNNXLSDKSVOOIP-UHFFFAOYSA-N -1 1 308.367 0.826 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCCCC1 ZINC000738353700 598260046 /nfs/dbraw/zinc/26/00/46/598260046.db2.gz FNNXLSDKSVOOIP-UHFFFAOYSA-N -1 1 308.367 0.826 20 0 DCADMM O=S(=O)(NCc1nccs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738346289 598266374 /nfs/dbraw/zinc/26/63/74/598266374.db2.gz XRWZGEOYMOYPOH-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM O=S(=O)(NCc1nccs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738346289 598266375 /nfs/dbraw/zinc/26/63/75/598266375.db2.gz XRWZGEOYMOYPOH-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM Cc1ccn(CC(=O)N(C(C)C)C(C)C)c(=O)c1-c1nn[n-]n1 ZINC000822369665 607349381 /nfs/dbraw/zinc/34/93/81/607349381.db2.gz LGIKEZFXOHQNBD-UHFFFAOYSA-N -1 1 318.381 0.982 20 0 DCADMM Cc1ccn(CC(=O)NC2CCCCC2)c(=O)c1-c1nn[n-]n1 ZINC000822370167 607349567 /nfs/dbraw/zinc/34/95/67/607349567.db2.gz SHDAKNJEPMLFJQ-UHFFFAOYSA-N -1 1 316.365 0.786 20 0 DCADMM Cc1nn(Cc2nnsc2Cl)c(=O)c(-c2nn[n-]n2)c1C ZINC000737521861 598310588 /nfs/dbraw/zinc/31/05/88/598310588.db2.gz KMKTVSAFWLZSKO-UHFFFAOYSA-N -1 1 324.757 0.593 20 0 DCADMM CCN(CC)C(=O)CCCNc1nccnc1-c1nnn[n-]1 ZINC000736521772 598344051 /nfs/dbraw/zinc/34/40/51/598344051.db2.gz HBUJVPGIFKVZLA-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCN(CC)C(=O)CCCNc1nccnc1-c1nn[n-]n1 ZINC000736521772 598344053 /nfs/dbraw/zinc/34/40/53/598344053.db2.gz HBUJVPGIFKVZLA-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM c1nn(C[C@H]2CCCO2)cc1Nc1nccnc1-c1nnn[n-]1 ZINC000738445651 598346268 /nfs/dbraw/zinc/34/62/68/598346268.db2.gz KBIKKWQHTOPDDL-SNVBAGLBSA-N -1 1 313.325 0.776 20 0 DCADMM c1nn(C[C@H]2CCCO2)cc1Nc1nccnc1-c1nn[n-]n1 ZINC000738445651 598346269 /nfs/dbraw/zinc/34/62/69/598346269.db2.gz KBIKKWQHTOPDDL-SNVBAGLBSA-N -1 1 313.325 0.776 20 0 DCADMM CC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000735476622 598349039 /nfs/dbraw/zinc/34/90/39/598349039.db2.gz ZBJNTMVDQISGAT-JTQLQIEISA-N -1 1 302.342 0.009 20 0 DCADMM CC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000735476622 598349041 /nfs/dbraw/zinc/34/90/41/598349041.db2.gz ZBJNTMVDQISGAT-JTQLQIEISA-N -1 1 302.342 0.009 20 0 DCADMM CCc1nn(Cc2noc(C)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706442 598377575 /nfs/dbraw/zinc/37/75/75/598377575.db2.gz LQAFGZYEEUTKIF-UHFFFAOYSA-N -1 1 316.325 0.288 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]2C)cc1-c1nn[n-]n1 ZINC000737187072 598530074 /nfs/dbraw/zinc/53/00/74/598530074.db2.gz OOYITMTZMARALH-SVGQVSJJSA-N -1 1 306.351 0.827 20 0 DCADMM CC(C)[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735702187 598553919 /nfs/dbraw/zinc/55/39/19/598553919.db2.gz OSSIDYIKODUZSH-SECBINFHSA-N -1 1 310.383 0.927 20 0 DCADMM CC(C)[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735702187 598553921 /nfs/dbraw/zinc/55/39/21/598553921.db2.gz OSSIDYIKODUZSH-SECBINFHSA-N -1 1 310.383 0.927 20 0 DCADMM CCc1cc(-n2cnc(-c3nn[n-]n3)n2)nc(-c2ccccn2)n1 ZINC000736679507 598592091 /nfs/dbraw/zinc/59/20/91/598592091.db2.gz WBWWGPFOWGXJEL-UHFFFAOYSA-N -1 1 320.320 0.862 20 0 DCADMM Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ncn1 ZINC000737270189 598637945 /nfs/dbraw/zinc/63/79/45/598637945.db2.gz LAASAXMFZVYRAH-UHFFFAOYSA-N -1 1 314.357 0.339 20 0 DCADMM Cc1ccc(C(=O)NCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737311762 598675860 /nfs/dbraw/zinc/67/58/60/598675860.db2.gz DLLZQLHBJDSWQA-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1ccc(C(=O)NCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737311762 598675862 /nfs/dbraw/zinc/67/58/62/598675862.db2.gz DLLZQLHBJDSWQA-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM C[C@H]1CCCCN1C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000736268356 598677223 /nfs/dbraw/zinc/67/72/23/598677223.db2.gz SZLFNIFYDULYRW-JTQLQIEISA-N -1 1 302.338 0.429 20 0 DCADMM COc1cccc([C@H](O)CNc2nccnc2-c2nn[n-]n2)c1 ZINC000737130321 598678635 /nfs/dbraw/zinc/67/86/35/598678635.db2.gz WECQBLZXBMRCCI-LLVKDONJSA-N -1 1 313.321 0.811 20 0 DCADMM COc1cccc([C@H](O)CNc2nccnc2-c2nnn[n-]2)c1 ZINC000737130321 598678633 /nfs/dbraw/zinc/67/86/33/598678633.db2.gz WECQBLZXBMRCCI-LLVKDONJSA-N -1 1 313.321 0.811 20 0 DCADMM CCN(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736509760 598719538 /nfs/dbraw/zinc/71/95/38/598719538.db2.gz LIWIMIMYKNUUKP-UHFFFAOYSA-N -1 1 312.333 0.660 20 0 DCADMM CNC(=O)CCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000736870493 598744002 /nfs/dbraw/zinc/74/40/02/598744002.db2.gz IOGLUXTYBKNWRJ-UHFFFAOYSA-N -1 1 301.763 0.915 20 0 DCADMM CNC(=O)CCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000736870493 598744003 /nfs/dbraw/zinc/74/40/03/598744003.db2.gz IOGLUXTYBKNWRJ-UHFFFAOYSA-N -1 1 301.763 0.915 20 0 DCADMM C[C@H]1CCC[C@H](OCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000736263444 598798319 /nfs/dbraw/zinc/79/83/19/598798319.db2.gz QTJXSUTUBCQDAW-IUCAKERBSA-N -1 1 305.342 0.881 20 0 DCADMM CC(C)(CNc1cccc(-c2nnn[n-]2)n1)NS(C)(=O)=O ZINC000735671084 599433915 /nfs/dbraw/zinc/43/39/15/599433915.db2.gz LUBRLKWNXRJXPN-UHFFFAOYSA-N -1 1 311.371 0.001 20 0 DCADMM CC(C)(CNc1cccc(-c2nn[n-]n2)n1)NS(C)(=O)=O ZINC000735671084 599433918 /nfs/dbraw/zinc/43/39/18/599433918.db2.gz LUBRLKWNXRJXPN-UHFFFAOYSA-N -1 1 311.371 0.001 20 0 DCADMM CSC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737176632 599449474 /nfs/dbraw/zinc/44/94/74/599449474.db2.gz OSZDGUDHTFKFPN-ZETCQYMHSA-N -1 1 314.396 0.292 20 0 DCADMM CSC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737176632 599449476 /nfs/dbraw/zinc/44/94/76/599449476.db2.gz OSZDGUDHTFKFPN-ZETCQYMHSA-N -1 1 314.396 0.292 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(NCCCOC2CCOCC2)n1 ZINC000823810324 599584426 /nfs/dbraw/zinc/58/44/26/599584426.db2.gz VYVCECUCTVKUDB-UHFFFAOYSA-N -1 1 305.342 0.654 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(NCCCOC2CCOCC2)n1 ZINC000823810324 599584429 /nfs/dbraw/zinc/58/44/29/599584429.db2.gz VYVCECUCTVKUDB-UHFFFAOYSA-N -1 1 305.342 0.654 20 0 DCADMM COC[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000821684517 599584796 /nfs/dbraw/zinc/58/47/96/599584796.db2.gz BSXFJNPZQBBRTR-QMMMGPOBSA-N -1 1 310.745 0.767 20 0 DCADMM COC[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000821684517 599584798 /nfs/dbraw/zinc/58/47/98/599584798.db2.gz BSXFJNPZQBBRTR-QMMMGPOBSA-N -1 1 310.745 0.767 20 0 DCADMM CCOC(=O)[C@]1(CCn2cnc(-c3nn[n-]n3)n2)CCCC1=O ZINC000821319857 599697273 /nfs/dbraw/zinc/69/72/73/599697273.db2.gz IEKNSWBRKZZFCS-ZDUSSCGKSA-N -1 1 319.325 0.151 20 0 DCADMM CCN(CC(=O)NC(C)C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000386582634 599708484 /nfs/dbraw/zinc/70/84/84/599708484.db2.gz SRPYJHLZNYNECI-GFCCVEGCSA-N -1 1 313.398 0.156 20 0 DCADMM CN1CCN(c2cc(CNC(=O)CCNC(=O)[O-])ccn2)CC1 ZINC000737529457 599747214 /nfs/dbraw/zinc/74/72/14/599747214.db2.gz XOXALCNRCFBYMI-UHFFFAOYSA-N -1 1 321.381 0.107 20 0 DCADMM CNC(=O)CCN(C)[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000737537610 599761351 /nfs/dbraw/zinc/76/13/51/599761351.db2.gz VVQCJSXCWQJZGI-LLVKDONJSA-N -1 1 321.377 0.457 20 0 DCADMM C[C@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)NCC(=O)[O-] ZINC000736718011 599831968 /nfs/dbraw/zinc/83/19/68/599831968.db2.gz SQJLVYBWTIAYBS-ZETCQYMHSA-N -1 1 307.335 0.548 20 0 DCADMM CN1CCN(c2cc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])ccn2)CC1 ZINC000737528583 600111230 /nfs/dbraw/zinc/11/12/30/600111230.db2.gz JHXAQVJWFAPMCS-QWHCGFSZSA-N -1 1 318.377 0.170 20 0 DCADMM O=C([O-])CNC(=O)CCN1CCCN(CC(F)(F)F)CC1 ZINC000739807758 600273626 /nfs/dbraw/zinc/27/36/26/600273626.db2.gz WBUGUOWVEJGWKO-UHFFFAOYSA-N -1 1 311.304 0.147 20 0 DCADMM C[C@H](Sc1nc(-c2ccccn2)n[nH]1)C(=O)NCC(=O)[O-] ZINC000736715763 600274816 /nfs/dbraw/zinc/27/48/16/600274816.db2.gz HOEVVAVGXBYHAN-ZETCQYMHSA-N -1 1 307.335 0.548 20 0 DCADMM CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737521092 600328060 /nfs/dbraw/zinc/32/80/60/600328060.db2.gz MUSJYWGXVNTNNX-JTQLQIEISA-N -1 1 323.324 0.673 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@H](C(=O)NC)C1)C(=O)[O-] ZINC000736877634 600330341 /nfs/dbraw/zinc/33/03/41/600330341.db2.gz KEXKRUAUELYOTR-GMXVVIOVSA-N -1 1 313.398 0.060 20 0 DCADMM Cc1cc(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)n[nH]1 ZINC000738383946 600348634 /nfs/dbraw/zinc/34/86/34/600348634.db2.gz GKDOXMAWARNLPY-UHFFFAOYSA-N -1 1 316.317 0.980 20 0 DCADMM C[C@H](CN(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C(=O)[O-] ZINC000736573394 600376190 /nfs/dbraw/zinc/37/61/90/600376190.db2.gz UXXVCFGCOITVNR-LLVKDONJSA-N -1 1 321.377 0.979 20 0 DCADMM CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737521135 600467512 /nfs/dbraw/zinc/46/75/12/600467512.db2.gz NJSIJMGAASQCQZ-GFCCVEGCSA-N -1 1 320.349 0.925 20 0 DCADMM COc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000038030440 600528997 /nfs/dbraw/zinc/52/89/97/600528997.db2.gz OZFKXVLIUXLWGT-UHFFFAOYSA-N -1 1 311.319 0.777 20 0 DCADMM CC(C)N(CCC(=O)[O-])C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000736460915 600557378 /nfs/dbraw/zinc/55/73/78/600557378.db2.gz BFVUASJIAJHDFA-UHFFFAOYSA-N -1 1 320.353 0.501 20 0 DCADMM COC[C@@H]1CCCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000737755422 600614566 /nfs/dbraw/zinc/61/45/66/600614566.db2.gz XKZQGCHPOXQEMA-OLZOCXBDSA-N -1 1 300.399 0.960 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)N1CCN(C)CC1 ZINC000736595369 600669465 /nfs/dbraw/zinc/66/94/65/600669465.db2.gz HKWQMTADSQLVLZ-RDBSUJKOSA-N -1 1 311.426 0.630 20 0 DCADMM CC(C)(CN[C@@H](C(=O)[O-])c1ccccc1F)NS(C)(=O)=O ZINC000826607302 600748705 /nfs/dbraw/zinc/74/87/05/600748705.db2.gz QHGABFTWPCDVDM-LLVKDONJSA-N -1 1 318.370 0.869 20 0 DCADMM C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000032068357 600758811 /nfs/dbraw/zinc/75/88/11/600758811.db2.gz DOHNMCACQRSLLH-LBPRGKRZSA-N -1 1 306.366 0.183 20 0 DCADMM CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000053244736 600766074 /nfs/dbraw/zinc/76/60/74/600766074.db2.gz LLHQVJPCEFZKOV-SECBINFHSA-N -1 1 301.368 0.428 20 0 DCADMM C[C@@H](O)CCN(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000827795840 600832871 /nfs/dbraw/zinc/83/28/71/600832871.db2.gz DPRCQSLHVWPFOO-IUODEOHRSA-N -1 1 320.389 0.727 20 0 DCADMM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000831067764 600877897 /nfs/dbraw/zinc/87/78/97/600877897.db2.gz VUISYLUFNBLANT-YPMHNXCESA-N -1 1 322.361 0.639 20 0 DCADMM CCN1CCN(CC(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000737852494 600887982 /nfs/dbraw/zinc/88/79/82/600887982.db2.gz DPFOAFNALDUEJM-UHFFFAOYSA-N -1 1 321.377 0.726 20 0 DCADMM CC[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])n2)CCN1C[C@H](C)O ZINC000829140234 600902497 /nfs/dbraw/zinc/90/24/97/600902497.db2.gz CJKXPWPBRNWGOF-NWDGAFQWSA-N -1 1 321.377 0.697 20 0 DCADMM CCN1CCN(CC(=O)N[C@H](C(=O)[O-])c2cccs2)CC1 ZINC000829776257 600916041 /nfs/dbraw/zinc/91/60/41/600916041.db2.gz KQBMZFZAXMRFSR-ZDUSSCGKSA-N -1 1 311.407 0.628 20 0 DCADMM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)C1 ZINC000833184146 600936766 /nfs/dbraw/zinc/93/67/66/600936766.db2.gz DCXGKBNPRIFGPX-LJISPDSOSA-N -1 1 324.421 0.935 20 0 DCADMM CC[C@H](CO)N1CCN(C(=S)NCCCC(=O)[O-])CC1 ZINC000828890634 600971743 /nfs/dbraw/zinc/97/17/43/600971743.db2.gz KRHAMESRUKTKDR-LLVKDONJSA-N -1 1 303.428 0.114 20 0 DCADMM O=C([O-])CSCCC(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000739846410 601066209 /nfs/dbraw/zinc/06/62/09/601066209.db2.gz YOYJFEBZSKMNPV-LBPRGKRZSA-N -1 1 316.423 0.375 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCn2ccccc2=O)CC1 ZINC000827361667 601098242 /nfs/dbraw/zinc/09/82/42/601098242.db2.gz DDBCELYEHONMAY-CYBMUJFWSA-N -1 1 321.377 0.246 20 0 DCADMM CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000736808442 601111122 /nfs/dbraw/zinc/11/11/22/601111122.db2.gz NKNRZGVSQDAEGF-NXEZZACHSA-N -1 1 316.379 0.985 20 0 DCADMM Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1C(=O)[O-] ZINC000832940925 601161560 /nfs/dbraw/zinc/16/15/60/601161560.db2.gz MEMLLZXESJTUFU-LBPRGKRZSA-N -1 1 319.361 0.842 20 0 DCADMM Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(C)C2)cc1C(=O)[O-] ZINC000832940925 601161561 /nfs/dbraw/zinc/16/15/61/601161561.db2.gz MEMLLZXESJTUFU-LBPRGKRZSA-N -1 1 319.361 0.842 20 0 DCADMM C[C@@]1(O)CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000828110525 601221408 /nfs/dbraw/zinc/22/14/08/601221408.db2.gz GPMRTKOGXDJDHF-WMLDXEAASA-N -1 1 318.373 0.481 20 0 DCADMM CCc1nnc2n1CCN(Cc1ccnc(-c3nn[n-]n3)c1)C2 ZINC000825770597 607496741 /nfs/dbraw/zinc/49/67/41/607496741.db2.gz CWNIDBVAYWARKX-UHFFFAOYSA-N -1 1 311.353 0.431 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1)C(=O)[O-] ZINC000828727517 601316364 /nfs/dbraw/zinc/31/63/64/601316364.db2.gz DECBHTZVYIFONG-HZMBPMFUSA-N -1 1 311.382 0.990 20 0 DCADMM CCOC[C@@H]1CCN(CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)C1 ZINC000829990323 601379616 /nfs/dbraw/zinc/37/96/16/601379616.db2.gz UVNZDFOPHISUDD-OUCADQQQSA-N -1 1 300.399 0.960 20 0 DCADMM CCC1CCC(NCC(=O)NC(=O)NC2CC2)(C(=O)[O-])CC1 ZINC000829101201 601493755 /nfs/dbraw/zinc/49/37/55/601493755.db2.gz JKJPUKXKXFBNEH-UHFFFAOYSA-N -1 1 311.382 0.988 20 0 DCADMM Cc1cc(N2CC[C@H](N3C[C@H](C)[C@@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000832889571 601521961 /nfs/dbraw/zinc/52/19/61/601521961.db2.gz QZGZQIFBCLIRGM-DLOVCJGASA-N -1 1 306.366 0.486 20 0 DCADMM O=C([O-])[C@@H]1COCCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000833193345 601720723 /nfs/dbraw/zinc/72/07/23/601720723.db2.gz XTLXGTQSIFJMIB-YFKPBYRVSA-N -1 1 321.405 0.231 20 0 DCADMM C[C@H]1CN(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828451925 601816553 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320.357 0.633 20 0 DCADMM CCO[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821369377 606595400 /nfs/dbraw/zinc/59/54/00/606595400.db2.gz ZTXDTJZWMQJFCL-SECBINFHSA-N -1 1 320.357 0.633 20 0 DCADMM CC(C)C[C@H](CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820055927 606595423 /nfs/dbraw/zinc/59/54/23/606595423.db2.gz LVZSGGQWOJWNMN-MRVPVSSYSA-N -1 1 308.346 0.129 20 0 DCADMM CC(C)C[C@H](CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820055927 606595425 /nfs/dbraw/zinc/59/54/25/606595425.db2.gz LVZSGGQWOJWNMN-MRVPVSSYSA-N -1 1 308.346 0.129 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccn1 ZINC000820380688 606596629 /nfs/dbraw/zinc/59/66/29/606596629.db2.gz YSVNBLUDOQSJGJ-MRVPVSSYSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccn1 ZINC000820380688 606596631 /nfs/dbraw/zinc/59/66/31/606596631.db2.gz YSVNBLUDOQSJGJ-MRVPVSSYSA-N -1 1 313.325 0.878 20 0 DCADMM Cc1noc(C)c1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822522731 606597325 /nfs/dbraw/zinc/59/73/25/606597325.db2.gz LDELFUPXABQLPI-UHFFFAOYSA-N -1 1 317.313 0.527 20 0 DCADMM Cc1noc(C)c1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822522731 606597327 /nfs/dbraw/zinc/59/73/27/606597327.db2.gz LDELFUPXABQLPI-UHFFFAOYSA-N -1 1 317.313 0.527 20 0 DCADMM CC(=O)N1CC[C@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819789231 606952747 /nfs/dbraw/zinc/95/27/47/606952747.db2.gz KVPNNQKSNLCVER-VIFPVBQESA-N -1 1 321.362 0.953 20 0 DCADMM CC(=O)N1CC[C@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819789231 606952748 /nfs/dbraw/zinc/95/27/48/606952748.db2.gz KVPNNQKSNLCVER-VIFPVBQESA-N -1 1 321.362 0.953 20 0 DCADMM C[C@@H]1CO[C@@H](CO)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820804597 607029007 /nfs/dbraw/zinc/02/90/07/607029007.db2.gz VQJHUOJBOLVGRU-HTQZYQBOSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@@H]1CO[C@@H](CO)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820804597 607029009 /nfs/dbraw/zinc/02/90/09/607029009.db2.gz VQJHUOJBOLVGRU-HTQZYQBOSA-N -1 1 310.745 0.501 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc2cccnc21 ZINC000823136151 607206312 /nfs/dbraw/zinc/20/63/12/607206312.db2.gz MCXKWYNIPIPKJX-UHFFFAOYSA-N -1 1 321.304 0.645 20 0 DCADMM CCN(Cc1ccoc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821230160 607212536 /nfs/dbraw/zinc/21/25/36/607212536.db2.gz DEUIYCWLBUCUCQ-UHFFFAOYSA-N -1 1 302.298 0.100 20 0 DCADMM CCCC[C@H]1CCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821043150 607213387 /nfs/dbraw/zinc/21/33/87/607213387.db2.gz MDSIXJSCARVIJW-QWRGUYRKSA-N -1 1 318.385 0.933 20 0 DCADMM CC[C@@H](C)[C@H](C)N(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC000820859146 607214192 /nfs/dbraw/zinc/21/41/92/607214192.db2.gz BOSOKMNFZVZSPB-ZJUUUORDSA-N -1 1 318.385 0.884 20 0 DCADMM C[C@@H]1c2ccccc2CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820827598 607214924 /nfs/dbraw/zinc/21/49/24/607214924.db2.gz URONWUBKLHRCFP-SNVBAGLBSA-N -1 1 324.348 0.604 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC/C=C\c1ccccc1 ZINC000823127266 607217363 /nfs/dbraw/zinc/21/73/63/607217363.db2.gz YFCFCKGQQYBQGU-DAXSKMNVSA-N -1 1 310.321 0.288 20 0 DCADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820862275 607218018 /nfs/dbraw/zinc/21/80/18/607218018.db2.gz QAEWANQCGWCYAW-MNOVXSKESA-N -1 1 318.385 0.885 20 0 DCADMM CCCC[C@@H](CCC)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821043880 607221461 /nfs/dbraw/zinc/22/14/61/607221461.db2.gz UXOJNYKUJGUAEP-SNVBAGLBSA-N -1 1 306.374 0.933 20 0 DCADMM CC(C)n1nccc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820215730 607238885 /nfs/dbraw/zinc/23/88/85/607238885.db2.gz ZELFLEWDJLBCOO-UHFFFAOYSA-N -1 1 301.314 0.630 20 0 DCADMM CC(C)n1nccc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820215730 607238886 /nfs/dbraw/zinc/23/88/86/607238886.db2.gz ZELFLEWDJLBCOO-UHFFFAOYSA-N -1 1 301.314 0.630 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc2[nH]c(=O)oc21 ZINC000826395566 607781197 /nfs/dbraw/zinc/78/11/97/607781197.db2.gz JCKGHRROEGJGTM-UHFFFAOYSA-N -1 1 312.249 0.181 20 0 DCADMM O[C@]1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCOC1 ZINC000826505664 607851293 /nfs/dbraw/zinc/85/12/93/607851293.db2.gz BMHZDJLMPOGJDQ-AWEZNQCLSA-N -1 1 313.321 0.373 20 0 DCADMM O[C@]1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCOC1 ZINC000826505664 607851294 /nfs/dbraw/zinc/85/12/94/607851294.db2.gz BMHZDJLMPOGJDQ-AWEZNQCLSA-N -1 1 313.321 0.373 20 0 DCADMM CN(C[C@H]1CCC[C@@H]1O)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825908860 607862691 /nfs/dbraw/zinc/86/26/91/607862691.db2.gz NIOLDWDNQCAFLJ-PWSUYJOCSA-N -1 1 302.338 0.495 20 0 DCADMM CN(C[C@H]1CCC[C@@H]1O)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825908860 607862692 /nfs/dbraw/zinc/86/26/92/607862692.db2.gz NIOLDWDNQCAFLJ-PWSUYJOCSA-N -1 1 302.338 0.495 20 0 DCADMM Cc1ccc(OC[C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)c(C)c1 ZINC000826292145 607869199 /nfs/dbraw/zinc/86/91/99/607869199.db2.gz KBWVTQBCXXGMCH-NSHDSACASA-N -1 1 315.337 0.515 20 0 DCADMM CC1(C)OC[C@@H](CCOC(=O)c2ccc(-c3nnn[n-]3)nc2)O1 ZINC000824811852 607993592 /nfs/dbraw/zinc/99/35/92/607993592.db2.gz FHPBTZJDYUYDKB-SNVBAGLBSA-N -1 1 319.321 0.960 20 0 DCADMM CC1(C)OC[C@@H](CCOC(=O)c2ccc(-c3nn[n-]n3)nc2)O1 ZINC000824811852 607993593 /nfs/dbraw/zinc/99/35/93/607993593.db2.gz FHPBTZJDYUYDKB-SNVBAGLBSA-N -1 1 319.321 0.960 20 0 DCADMM O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429676 607993912 /nfs/dbraw/zinc/99/39/12/607993912.db2.gz JUTPMBGPBMPWDF-GHMZBOCLSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429676 607993913 /nfs/dbraw/zinc/99/39/13/607993913.db2.gz JUTPMBGPBMPWDF-GHMZBOCLSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823161696 607994563 /nfs/dbraw/zinc/99/45/63/607994563.db2.gz PMXYAWFOLOWFOH-UONOGXRCSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823161696 607994564 /nfs/dbraw/zinc/99/45/64/607994564.db2.gz PMXYAWFOLOWFOH-UONOGXRCSA-N -1 1 322.328 0.650 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCCc2ccccc2)c1=O ZINC000826356476 608095907 /nfs/dbraw/zinc/09/59/07/608095907.db2.gz SGJXQWXUXGTPTG-UHFFFAOYSA-N -1 1 312.333 0.360 20 0 DCADMM O=C1OCC[C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCN12 ZINC000826483384 608147719 /nfs/dbraw/zinc/14/77/19/608147719.db2.gz LRTMUEXDLGBURZ-SECBINFHSA-N -1 1 301.310 0.293 20 0 DCADMM O=C1OCC[C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCN12 ZINC000826483384 608147721 /nfs/dbraw/zinc/14/77/21/608147721.db2.gz LRTMUEXDLGBURZ-SECBINFHSA-N -1 1 301.310 0.293 20 0 DCADMM NC(=O)Nc1ccc(C(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000826392835 608147923 /nfs/dbraw/zinc/14/79/23/608147923.db2.gz OQSKRTZKOJZMKB-UHFFFAOYSA-N -1 1 312.293 0.437 20 0 DCADMM NC(=O)Nc1ccc(C(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000826392835 608147924 /nfs/dbraw/zinc/14/79/24/608147924.db2.gz OQSKRTZKOJZMKB-UHFFFAOYSA-N -1 1 312.293 0.437 20 0 DCADMM CC[C@]1(C)COCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825164884 608167537 /nfs/dbraw/zinc/16/75/37/608167537.db2.gz LQYJMFRJIJBVRZ-CQSZACIVSA-N -1 1 302.338 0.903 20 0 DCADMM CC[C@]1(C)COCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825164884 608167538 /nfs/dbraw/zinc/16/75/38/608167538.db2.gz LQYJMFRJIJBVRZ-CQSZACIVSA-N -1 1 302.338 0.903 20 0 DCADMM CC(C)[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(N)=O ZINC000824199636 608189839 /nfs/dbraw/zinc/18/98/39/608189839.db2.gz KMGZFURYHPGVNV-RXMQYKEDSA-N -1 1 301.763 0.898 20 0 DCADMM CC(C)[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(N)=O ZINC000824199636 608189841 /nfs/dbraw/zinc/18/98/41/608189841.db2.gz KMGZFURYHPGVNV-RXMQYKEDSA-N -1 1 301.763 0.898 20 0 DCADMM COc1ccnc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826221184 608201615 /nfs/dbraw/zinc/20/16/15/608201615.db2.gz SUFDWVTWGIWBNT-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1ccnc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826221184 608201617 /nfs/dbraw/zinc/20/16/17/608201617.db2.gz SUFDWVTWGIWBNT-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000824885607 608209109 /nfs/dbraw/zinc/20/91/09/608209109.db2.gz TVQAYYARECNOAY-BDAKNGLRSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000824885607 608209114 /nfs/dbraw/zinc/20/91/14/608209114.db2.gz TVQAYYARECNOAY-BDAKNGLRSA-N -1 1 320.357 0.537 20 0 DCADMM OC[C@H]1CSCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826509218 608232879 /nfs/dbraw/zinc/23/28/79/608232879.db2.gz OOWAYTMMAIRVGQ-ZETCQYMHSA-N -1 1 312.786 0.829 20 0 DCADMM OC[C@H]1CSCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826509218 608232881 /nfs/dbraw/zinc/23/28/81/608232881.db2.gz OOWAYTMMAIRVGQ-ZETCQYMHSA-N -1 1 312.786 0.829 20 0 DCADMM CCCn1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1 ZINC000825356752 608382568 /nfs/dbraw/zinc/38/25/68/608382568.db2.gz HWWQFBSBZDQSMB-UHFFFAOYSA-N -1 1 314.309 0.826 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC000826438096 608400886 /nfs/dbraw/zinc/40/08/86/608400886.db2.gz MXHIAGYYRPBYJJ-UHFFFAOYSA-N -1 1 316.350 0.560 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC000826438096 608400887 /nfs/dbraw/zinc/40/08/87/608400887.db2.gz MXHIAGYYRPBYJJ-UHFFFAOYSA-N -1 1 316.350 0.560 20 0 DCADMM CCc1nc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)no1 ZINC000825745149 608408136 /nfs/dbraw/zinc/40/81/36/608408136.db2.gz IUWCQVDKJYDUGY-VIFPVBQESA-N -1 1 313.325 0.944 20 0 DCADMM CCc1nc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)no1 ZINC000825745149 608408138 /nfs/dbraw/zinc/40/81/38/608408138.db2.gz IUWCQVDKJYDUGY-VIFPVBQESA-N -1 1 313.325 0.944 20 0 DCADMM O=C1Cc2ccccc2N1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826482131 608410636 /nfs/dbraw/zinc/41/06/36/608410636.db2.gz SMQRAEFZAVCBDS-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM O=C1Cc2ccccc2N1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826482131 608410637 /nfs/dbraw/zinc/41/06/37/608410637.db2.gz SMQRAEFZAVCBDS-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM CN(C)C(=O)[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825839998 608419717 /nfs/dbraw/zinc/41/97/17/608419717.db2.gz MPFQUUPDSFABMI-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CN(C)C(=O)[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825839998 608419719 /nfs/dbraw/zinc/41/97/19/608419719.db2.gz MPFQUUPDSFABMI-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM OC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC000826508036 608420381 /nfs/dbraw/zinc/42/03/81/608420381.db2.gz BVVWFVXCUBYKJT-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM OC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC000826508036 608420382 /nfs/dbraw/zinc/42/03/82/608420382.db2.gz BVVWFVXCUBYKJT-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM O=C1CN(c2ccc(-c3nnn[n-]3)nn2)CN1Cc1ccccc1 ZINC000826481503 608439408 /nfs/dbraw/zinc/43/94/08/608439408.db2.gz XEKCSYUPZYWZLR-UHFFFAOYSA-N -1 1 322.332 0.463 20 0 DCADMM O=C1CN(c2ccc(-c3nn[n-]n3)nn2)CN1Cc1ccccc1 ZINC000826481503 608439410 /nfs/dbraw/zinc/43/94/10/608439410.db2.gz XEKCSYUPZYWZLR-UHFFFAOYSA-N -1 1 322.332 0.463 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1(C)CCC1 ZINC000825923658 608556826 /nfs/dbraw/zinc/55/68/26/608556826.db2.gz QEJLOWLTFJTJIE-UHFFFAOYSA-N -1 1 318.385 0.753 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1(C)CCC1 ZINC000825923658 608556828 /nfs/dbraw/zinc/55/68/28/608556828.db2.gz QEJLOWLTFJTJIE-UHFFFAOYSA-N -1 1 318.385 0.753 20 0 DCADMM COCCN(CC(=O)OC)Cc1ccc(-c2nn[n-]n2)s1 ZINC000826157558 608701760 /nfs/dbraw/zinc/70/17/60/608701760.db2.gz AJSAJJDRRBDEOX-UHFFFAOYSA-N -1 1 311.367 0.550 20 0 DCADMM CC(=O)c1ccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000824025254 608889737 /nfs/dbraw/zinc/88/97/37/608889737.db2.gz YVWRSIKMVMZFOM-UHFFFAOYSA-N -1 1 311.305 0.905 20 0 DCADMM CC(=O)c1ccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000824025254 608889738 /nfs/dbraw/zinc/88/97/38/608889738.db2.gz YVWRSIKMVMZFOM-UHFFFAOYSA-N -1 1 311.305 0.905 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1(C(N)=O)CCCC1 ZINC000825825488 609390985 /nfs/dbraw/zinc/39/09/85/609390985.db2.gz DWCCQHNUBLSCKR-UHFFFAOYSA-N -1 1 320.378 0.798 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1(C(N)=O)CCCC1 ZINC000825825488 609390987 /nfs/dbraw/zinc/39/09/87/609390987.db2.gz DWCCQHNUBLSCKR-UHFFFAOYSA-N -1 1 320.378 0.798 20 0 DCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC=CCC1 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/nfs/dbraw/zinc/57/56/14/661575614.db2.gz DONQJJIFAYRXHP-DGCLKSJQSA-N -1 1 319.361 0.639 20 0 DCADMM O=C(N[C@H]1CCC[C@H](NC(=O)C2CCOCC2)C1)c1cnn[nH]1 ZINC000983412753 661915272 /nfs/dbraw/zinc/91/52/72/661915272.db2.gz MPEHVRLWPHDSIH-RYUDHWBXSA-N -1 1 321.381 0.389 20 0 DCADMM C[C@H](O)CN1CCN(c2c3ccccc3nnc2C(=O)[O-])CC1 ZINC000737701056 662045157 /nfs/dbraw/zinc/04/51/57/662045157.db2.gz CIBBGRSXFLZWCN-NSHDSACASA-N -1 1 316.361 0.831 20 0 DCADMM CC[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)CC)C(N)=O ZINC000727002029 662084910 /nfs/dbraw/zinc/08/49/10/662084910.db2.gz KYAZARQIHBZJPK-NSHDSACASA-N -1 1 314.363 0.869 20 0 DCADMM Cn1[n-]c(CN2CC=C(CNC(=O)C3CCCC3)CC2)nc1=O ZINC001000359347 665829966 /nfs/dbraw/zinc/82/99/66/665829966.db2.gz RVCRFXMKUJMVDF-UHFFFAOYSA-N -1 1 319.409 0.547 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)NCCCOCC(F)(F)F ZINC000727849395 662254091 /nfs/dbraw/zinc/25/40/91/662254091.db2.gz GCBBVRUEACRVIQ-UHFFFAOYSA-N -1 1 323.271 0.012 20 0 DCADMM COc1cc(CNC(=O)CCn2cc[n-]c(=O)c2=O)ccc1C 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20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC001029660558 662443567 /nfs/dbraw/zinc/44/35/67/662443567.db2.gz UGNIMNLCGIYGID-NEPJUHHUSA-N -1 1 323.397 0.360 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)CCC2CC2)C1 ZINC001029682933 662450038 /nfs/dbraw/zinc/45/00/38/662450038.db2.gz BDWXPTBHVQWMJX-GFCCVEGCSA-N -1 1 307.398 0.981 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)c2ccsn2)C1 ZINC001029765128 662467820 /nfs/dbraw/zinc/46/78/20/662467820.db2.gz YLHXYYWBBNKLBM-VIFPVBQESA-N -1 1 322.394 0.561 20 0 DCADMM O=C([O-])C[C@H]1COCCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000909616410 662481149 /nfs/dbraw/zinc/48/11/49/662481149.db2.gz JQIVWSKAODRWPP-LURJTMIESA-N -1 1 307.228 0.744 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985664079 662498496 /nfs/dbraw/zinc/49/84/96/662498496.db2.gz DYGKZEFMSSRCBA-ZYHUDNBSSA-N -1 1 307.398 0.979 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC000985725682 662505607 /nfs/dbraw/zinc/50/56/07/662505607.db2.gz NLUYDYDSBWWAMD-OAHLLOKOSA-N -1 1 323.397 0.360 20 0 DCADMM C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)Cc1ccsc1 ZINC000985909770 662526700 /nfs/dbraw/zinc/52/67/00/662526700.db2.gz KOXAXBFQOWAOOK-GXSJLCMTSA-N -1 1 321.406 0.894 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1cccs1 ZINC000985926893 662528218 /nfs/dbraw/zinc/52/82/18/662528218.db2.gz QOVPIFPDLBYUJY-IUCAKERBSA-N -1 1 307.379 0.965 20 0 DCADMM C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CCc1ccco1 ZINC000985960523 662531324 /nfs/dbraw/zinc/53/13/24/662531324.db2.gz WQDAPAUMQGBVAY-ZYHUDNBSSA-N -1 1 319.365 0.815 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CC1CCOCC1 ZINC000986082214 662550443 /nfs/dbraw/zinc/55/04/43/662550443.db2.gz QNYHVPUSBSBREA-JQWIXIFHSA-N -1 1 323.397 0.406 20 0 DCADMM Cc1ncoc1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000986102309 662554883 /nfs/dbraw/zinc/55/48/83/662554883.db2.gz PHHXVGCJUORHFM-BDAKNGLRSA-N -1 1 306.326 0.200 20 0 DCADMM C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC000986152440 662561781 /nfs/dbraw/zinc/56/17/81/662561781.db2.gz UBICGNFDMCIUKA-PSASIEDQSA-N -1 1 318.337 0.004 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001029940613 662594274 /nfs/dbraw/zinc/59/42/74/662594274.db2.gz DJWNBILQSPSJST-UHFFFAOYSA-N -1 1 319.369 0.218 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CC(C)(F)F ZINC000986850085 662624131 /nfs/dbraw/zinc/62/41/31/662624131.db2.gz ZBXCLWVFKOBEEA-YUMQZZPRSA-N -1 1 303.313 0.635 20 0 DCADMM C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CCn1cccc1 ZINC000987267952 662663555 /nfs/dbraw/zinc/66/35/55/662663555.db2.gz OGUSWCIBAUSNBW-VXGBXAGGSA-N -1 1 318.381 0.481 20 0 DCADMM CO[C@@H](C)C(=O)N1CC[C@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC000987801032 662707468 /nfs/dbraw/zinc/70/74/68/662707468.db2.gz PTGKBOBICPMCHO-NWDGAFQWSA-N -1 1 321.377 0.743 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC000940950221 665892801 /nfs/dbraw/zinc/89/28/01/665892801.db2.gz HANSDDXPAILJNH-UTUOFQBUSA-N -1 1 321.425 0.481 20 0 DCADMM Cc1occc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000987999063 662723747 /nfs/dbraw/zinc/72/37/47/662723747.db2.gz CXXRIJKMARPLJM-PSASIEDQSA-N -1 1 305.338 0.805 20 0 DCADMM Cc1cccnc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000988546481 662798917 /nfs/dbraw/zinc/79/89/17/662798917.db2.gz ZJQLKADWMRJQJZ-GHMZBOCLSA-N -1 1 316.365 0.607 20 0 DCADMM C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1cncc(F)c1 ZINC000988578211 662802958 /nfs/dbraw/zinc/80/29/58/662802958.db2.gz OIIRGPZKEUSLBM-KCJUWKMLSA-N -1 1 320.328 0.437 20 0 DCADMM O=C([O-])C1(NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)CCC1 ZINC000929063335 662807708 /nfs/dbraw/zinc/80/77/08/662807708.db2.gz KFCCUTJOORPJHZ-MNOVXSKESA-N -1 1 313.423 0.873 20 0 DCADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ccon1 ZINC000937718944 662809541 /nfs/dbraw/zinc/80/95/41/662809541.db2.gz RFDBKYQVNDSXGY-VIFPVBQESA-N -1 1 302.290 0.420 20 0 DCADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@H]1CCCOC1 ZINC000937741248 662813420 /nfs/dbraw/zinc/81/34/20/662813420.db2.gz CMCSAPPJIUDYEE-RYUDHWBXSA-N -1 1 319.361 0.545 20 0 DCADMM O=C(C[C@H]1CCOC1)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937769828 662820963 /nfs/dbraw/zinc/82/09/63/662820963.db2.gz YIWFCSDXIHPXJT-NEPJUHHUSA-N -1 1 319.361 0.545 20 0 DCADMM O=C(N[C@H]1CCN(C(=O)[C@H]2CC23CC3)C1)c1ncccc1[O-] ZINC000937864959 662833935 /nfs/dbraw/zinc/83/39/35/662833935.db2.gz ATXYURRGDMTWIV-WDEREUQCSA-N -1 1 301.346 0.918 20 0 DCADMM CCn1nccc1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000988698550 662834164 /nfs/dbraw/zinc/83/41/64/662834164.db2.gz JCYWJINBORSJCA-ZJUUUORDSA-N -1 1 319.369 0.120 20 0 DCADMM Cc1cc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C[C@@H]2C)cnn1 ZINC000988719695 662841253 /nfs/dbraw/zinc/84/12/53/662841253.db2.gz KOSYMUDAVNNRKZ-GXSJLCMTSA-N -1 1 317.353 0.002 20 0 DCADMM CCc1[nH]ccc1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000988770772 662855905 /nfs/dbraw/zinc/85/59/05/662855905.db2.gz KWKMGICNJSVKEM-ZJUUUORDSA-N -1 1 318.381 0.794 20 0 DCADMM Cc1cnccc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000988799319 662863317 /nfs/dbraw/zinc/86/33/17/662863317.db2.gz BRKPKJZIGFFIQB-WDEREUQCSA-N -1 1 316.365 0.607 20 0 DCADMM Cc1coc(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C[C@H]2C)c1 ZINC000989305463 662898820 /nfs/dbraw/zinc/89/88/20/662898820.db2.gz DALVTRXMRMYBEE-ZJUUUORDSA-N -1 1 305.338 0.805 20 0 DCADMM CN(C)C(=O)C1(NC(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000840501536 662898925 /nfs/dbraw/zinc/89/89/25/662898925.db2.gz VFCGAJFZLWSWPC-UHFFFAOYSA-N -1 1 305.363 0.369 20 0 DCADMM CCc1nocc1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000989421510 662916622 /nfs/dbraw/zinc/91/66/22/662916622.db2.gz JNFLGDCJQQFGGT-IUCAKERBSA-N -1 1 320.353 0.454 20 0 DCADMM Cc1nc(C)c(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C[C@H]2C)[nH]1 ZINC000989453041 662938002 /nfs/dbraw/zinc/93/80/02/662938002.db2.gz ATFIHOLIPDNIOZ-GMSGAONNSA-N -1 1 319.369 0.243 20 0 DCADMM CCO[N-]C(=O)CNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000898280239 662946140 /nfs/dbraw/zinc/94/61/40/662946140.db2.gz XVOTYJSMOHXSRU-OAHLLOKOSA-N -1 1 323.393 0.918 20 0 DCADMM C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1cscn1 ZINC000989526244 662956141 /nfs/dbraw/zinc/95/61/41/662956141.db2.gz KUWBVFAMEMYBMT-BDAKNGLRSA-N -1 1 322.394 0.289 20 0 DCADMM Cc1cnoc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000989631339 662967285 /nfs/dbraw/zinc/96/72/85/662967285.db2.gz HAYDIGOMBGNCJZ-DTWKUNHWSA-N -1 1 306.326 0.200 20 0 DCADMM Cc1c[nH]cc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000989797346 662980242 /nfs/dbraw/zinc/98/02/42/662980242.db2.gz XNDQGCQFXVSWNJ-VHSXEESVSA-N -1 1 304.354 0.540 20 0 DCADMM O=C([N-]C1CN(C(=O)c2cc(C(F)(F)F)ncn2)C1)C(F)F ZINC000990027774 662993942 /nfs/dbraw/zinc/99/39/42/662993942.db2.gz YEULPKOOBCKBLN-UHFFFAOYSA-N -1 1 324.209 0.701 20 0 DCADMM CN(C)C(=O)CCC[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866592585 663010867 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O=C(c1ccncn1)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000960164472 688314388 /nfs/dbraw/zinc/31/43/88/688314388.db2.gz VMVABXGQMYVZRY-JTQLQIEISA-N -1 1 317.353 0.085 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CCCN1C(=O)C1CCCC1 ZINC000960355390 688357615 /nfs/dbraw/zinc/35/76/15/688357615.db2.gz GIVGHAGZSCOSDT-CYBMUJFWSA-N -1 1 321.425 0.721 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)C1CC1 ZINC000962102641 688812913 /nfs/dbraw/zinc/81/29/13/688812913.db2.gz OTVBVSZSZJPASZ-XWIASGKRSA-N -1 1 319.361 0.135 20 0 DCADMM C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1NC(=O)C(C)(C)F ZINC000964618694 689271862 /nfs/dbraw/zinc/27/18/62/689271862.db2.gz MZPZGGMSBBKBFN-UWVGGRQHSA-N -1 1 313.377 0.183 20 0 DCADMM C[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC000965940505 689589235 /nfs/dbraw/zinc/58/92/35/689589235.db2.gz HXBQPUNJFNALPZ-RYUDHWBXSA-N -1 1 320.393 0.316 20 0 DCADMM CCN(C(=O)[C@H]1CCCO1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000967767528 690068222 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20 0 DCADMM CC(C)[C@H](C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573996473 1163620509 /nfs/dbraw/zinc/62/05/09/1163620509.db2.gz TTXJOBNZPJODGF-JTQLQIEISA-N -1 1 318.385 0.819 20 0 DCADMM CC(C)[C@H](C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573996473 1163620510 /nfs/dbraw/zinc/62/05/10/1163620510.db2.gz TTXJOBNZPJODGF-JTQLQIEISA-N -1 1 318.385 0.819 20 0 DCADMM CC(C)[C@@H](C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574003819 1163621980 /nfs/dbraw/zinc/62/19/80/1163621980.db2.gz KMHRCPIFPGXGTC-SNVBAGLBSA-N -1 1 318.385 0.501 20 0 DCADMM CC(C)[C@@H](C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574003819 1163621983 /nfs/dbraw/zinc/62/19/83/1163621983.db2.gz KMHRCPIFPGXGTC-SNVBAGLBSA-N -1 1 318.385 0.501 20 0 DCADMM Cc1nc2cccc(C(=O)N[C@H]3CN(C(=O)[O-])C[C@@H]3CO)c2[nH]1 ZINC001574191901 1163657701 /nfs/dbraw/zinc/65/77/01/1163657701.db2.gz IAOPCRQKGIUCPK-SKDRFNHKSA-N -1 1 318.333 0.572 20 0 DCADMM O=C([O-])[C@@]1(CNC(=O)CCN2CC[C@@H](F)C2)CCCOC1 ZINC001574293303 1163686210 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20 0 DCADMM O=C([O-])N1CCC[C@@H](C(=O)N2CCC(c3nn[nH]n3)CC2)C1 ZINC001574377660 1163710783 /nfs/dbraw/zinc/71/07/83/1163710783.db2.gz XDITTYFSPFXLDA-SNVBAGLBSA-N -1 1 308.342 0.296 20 0 DCADMM O=C([O-])[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(F)(F)F ZINC001574392971 1163712368 /nfs/dbraw/zinc/71/23/68/1163712368.db2.gz NSGGHSXGVKFNQF-DJLDLDEBSA-N -1 1 315.313 0.616 20 0 DCADMM O=C([O-])N1C[C@@H](CO)[C@H](NCc2ccc3c(c2)NC(=O)CO3)C1 ZINC001574430950 1163722981 /nfs/dbraw/zinc/72/29/81/1163722981.db2.gz PZRJNBFQVIPLRA-CMPLNLGQSA-N -1 1 321.333 0.078 20 0 DCADMM C[C@@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)CC1CC1 ZINC001574800041 1163754746 /nfs/dbraw/zinc/75/47/46/1163754746.db2.gz BNLBOTMGXSAORB-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)C1=CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574854534 1163771523 /nfs/dbraw/zinc/77/15/23/1163771523.db2.gz OWKSTIPNASYKAR-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNC(=O)C1=CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574854534 1163771532 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C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001576076189 1164231430 /nfs/dbraw/zinc/23/14/30/1164231430.db2.gz JSWONPJKZMDLNF-ZJUUUORDSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001576076189 1164231432 /nfs/dbraw/zinc/23/14/32/1164231432.db2.gz JSWONPJKZMDLNF-ZJUUUORDSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001576102242 1164240207 /nfs/dbraw/zinc/24/02/07/1164240207.db2.gz ZNHCTIRNFBSCNO-IWSPIJDZSA-N -1 1 318.337 0.574 20 0 DCADMM C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001576102242 1164240214 /nfs/dbraw/zinc/24/02/14/1164240214.db2.gz ZNHCTIRNFBSCNO-IWSPIJDZSA-N -1 1 318.337 0.574 20 0 DCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCN1c1cnccn1 ZINC001576366256 1164316929 /nfs/dbraw/zinc/31/69/29/1164316929.db2.gz SKYYLIGMPGWCMO-SNVBAGLBSA-N -1 1 324.352 0.162 20 0 DCADMM CCC(=O)N1CC[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576415550 1164334116 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CC/C(C)=C/C(=O)NC[C@@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001576567092 1164397170 /nfs/dbraw/zinc/39/71/70/1164397170.db2.gz WUQPEZNOPRIFPD-NAZIUFLLSA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@@H](C)C(=O)NCC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576586380 1164406890 /nfs/dbraw/zinc/40/68/90/1164406890.db2.gz XSOAZQJBSWESTC-NXEZZACHSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576846145 1164492740 /nfs/dbraw/zinc/49/27/40/1164492740.db2.gz LVQWJSSZOZAMPX-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576846145 1164492743 /nfs/dbraw/zinc/49/27/43/1164492743.db2.gz LVQWJSSZOZAMPX-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576927798 1164537570 /nfs/dbraw/zinc/53/75/70/1164537570.db2.gz XMNRBEGZFNFALO-DTWKUNHWSA-N -1 1 322.348 0.086 20 0 DCADMM CC[C@@H](F)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576958582 1164557722 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CCCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001577194532 1164629312 /nfs/dbraw/zinc/62/93/12/1164629312.db2.gz LOQQMRMRIVELFQ-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001577194532 1164629317 /nfs/dbraw/zinc/62/93/17/1164629317.db2.gz LOQQMRMRIVELFQ-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577210604 1164635986 /nfs/dbraw/zinc/63/59/86/1164635986.db2.gz IYICORXOHOKDBE-JTQLQIEISA-N -1 1 316.369 0.460 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577210604 1164635991 /nfs/dbraw/zinc/63/59/91/1164635991.db2.gz IYICORXOHOKDBE-JTQLQIEISA-N -1 1 316.369 0.460 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@H]1C)c1ccc(-c2nnn[n-]2)nn1 ZINC001577941468 1164852805 /nfs/dbraw/zinc/85/28/05/1164852805.db2.gz MLPANLPIVBPRLJ-ZJUUUORDSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@H]1C)c1ccc(-c2nn[n-]n2)nn1 ZINC001577941468 1164852815 /nfs/dbraw/zinc/85/28/15/1164852815.db2.gz MLPANLPIVBPRLJ-ZJUUUORDSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@H]1C)c1nccnc1-c1nnn[n-]1 ZINC001577941978 1164853846 /nfs/dbraw/zinc/85/38/46/1164853846.db2.gz RJHYAILENFNNED-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@H]1C)c1nccnc1-c1nn[n-]n1 ZINC001577941978 1164853853 /nfs/dbraw/zinc/85/38/53/1164853853.db2.gz RJHYAILENFNNED-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)CCCF)c1ccnc(-c2nn[n-]n2)n1 ZINC001577976027 1164871118 /nfs/dbraw/zinc/87/11/18/1164871118.db2.gz MTSFKIZEWFYCHB-UHFFFAOYSA-N -1 1 322.348 0.349 20 0 DCADMM CCN(CCNc1nccnc1-c1nnn[n-]1)C(=O)[C@@H]1C[C@H]1C ZINC001578165707 1164941231 /nfs/dbraw/zinc/94/12/31/1164941231.db2.gz SQIOCSALKBQKHP-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1nccnc1-c1nn[n-]n1)C(=O)[C@@H]1C[C@H]1C ZINC001578165707 1164941236 /nfs/dbraw/zinc/94/12/36/1164941236.db2.gz SQIOCSALKBQKHP-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCNC(=O)CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001578237935 1164958987 /nfs/dbraw/zinc/95/89/87/1164958987.db2.gz WXYHEMUFHSLIMB-UHFFFAOYSA-N -1 1 313.321 0.214 20 0 DCADMM CCS(=O)(CC)=NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001578417409 1165007024 /nfs/dbraw/zinc/00/70/24/1165007024.db2.gz JZKPXCFVXYURGY-UHFFFAOYSA-N -1 1 324.366 0.924 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001578434220 1165015576 /nfs/dbraw/zinc/01/55/76/1165015576.db2.gz IELTXYFEYUCVKZ-IVZWLZJFSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001578434220 1165015579 /nfs/dbraw/zinc/01/55/79/1165015579.db2.gz IELTXYFEYUCVKZ-IVZWLZJFSA-N -1 1 316.369 0.619 20 0 DCADMM CCc1nc(NC[C@H](C)NC(=O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001578668520 1165084365 /nfs/dbraw/zinc/08/43/65/1165084365.db2.gz SAJZMZFQYKAZSB-VIFPVBQESA-N -1 1 318.385 0.792 20 0 DCADMM CCc1nc(NC[C@H](C)NC(=O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001578668520 1165084370 /nfs/dbraw/zinc/08/43/70/1165084370.db2.gz SAJZMZFQYKAZSB-VIFPVBQESA-N -1 1 318.385 0.792 20 0 DCADMM CCc1nc(N[C@H](C)Cc2cn(C)nn2)cc(-c2nnn[n-]2)n1 ZINC001578673812 1165085065 /nfs/dbraw/zinc/08/50/65/1165085065.db2.gz KNGNMYFPHVNTFN-MRVPVSSYSA-N -1 1 314.357 0.391 20 0 DCADMM CCc1nc(N[C@H](C)Cc2cn(C)nn2)cc(-c2nn[n-]n2)n1 ZINC001578673812 1165085073 /nfs/dbraw/zinc/08/50/73/1165085073.db2.gz KNGNMYFPHVNTFN-MRVPVSSYSA-N -1 1 314.357 0.391 20 0 DCADMM CCn1cnc(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)c1 ZINC001578800620 1165117871 /nfs/dbraw/zinc/11/78/71/1165117871.db2.gz FJBLKTJBEVCWJF-UHFFFAOYSA-N -1 1 314.309 0.739 20 0 DCADMM CCn1nccc1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001578828857 1165131544 /nfs/dbraw/zinc/13/15/44/1165131544.db2.gz WMRUTPKFUGEXHV-UHFFFAOYSA-N -1 1 314.309 0.739 20 0 DCADMM CN(C(=O)c1cccc(=O)n1C)c1ccc(-c2nnn[n-]2)nc1 ZINC001578926210 1165160853 /nfs/dbraw/zinc/16/08/53/1165160853.db2.gz HQJMNDANAUDXNO-UHFFFAOYSA-N -1 1 311.305 0.237 20 0 DCADMM CN(C(=O)c1cccc(=O)n1C)c1ccc(-c2nn[n-]n2)nc1 ZINC001578926210 1165160856 /nfs/dbraw/zinc/16/08/56/1165160856.db2.gz HQJMNDANAUDXNO-UHFFFAOYSA-N -1 1 311.305 0.237 20 0 DCADMM CN(C)C(=O)c1ccc(=O)n(Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC001578961162 1165170498 /nfs/dbraw/zinc/17/04/98/1165170498.db2.gz WKNQNISCYZFPPS-UHFFFAOYSA-N -1 1 314.305 0.372 20 0 DCADMM CN(C)C(=O)c1ccc(=O)n(Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC001578961162 1165170501 /nfs/dbraw/zinc/17/05/01/1165170501.db2.gz WKNQNISCYZFPPS-UHFFFAOYSA-N -1 1 314.305 0.372 20 0 DCADMM CN(CCCNc1cnc(-c2nnn[n-]2)cn1)C(=O)C1CCC1 ZINC001579128495 1165216611 /nfs/dbraw/zinc/21/66/11/1165216611.db2.gz UECIUOSFPSHOIM-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCCNc1cnc(-c2nn[n-]n2)cn1)C(=O)C1CCC1 ZINC001579128495 1165216615 /nfs/dbraw/zinc/21/66/15/1165216615.db2.gz UECIUOSFPSHOIM-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNC(=O)[C@@H]1CC1(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC001579167482 1165227828 /nfs/dbraw/zinc/22/78/28/1165227828.db2.gz YJAWTQSNQQOUOW-VIFPVBQESA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNC(=O)[C@@H]1CC1(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC001579167482 1165227833 /nfs/dbraw/zinc/22/78/33/1165227833.db2.gz YJAWTQSNQQOUOW-VIFPVBQESA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNC(=O)c1ccccc1)c1cncc(-c2nnn[n-]2)n1 ZINC001579199455 1165236943 /nfs/dbraw/zinc/23/69/43/1165236943.db2.gz XUOKJIDDQXAULA-UHFFFAOYSA-N -1 1 324.348 0.523 20 0 DCADMM CN(CCNC(=O)c1ccccc1)c1cncc(-c2nn[n-]n2)n1 ZINC001579199455 1165236949 /nfs/dbraw/zinc/23/69/49/1165236949.db2.gz XUOKJIDDQXAULA-UHFFFAOYSA-N -1 1 324.348 0.523 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)[C@@H]1CC1(F)F ZINC001579217605 1165240856 /nfs/dbraw/zinc/24/08/56/1165240856.db2.gz QHXLTSDCHYUGLV-ZETCQYMHSA-N -1 1 324.295 0.182 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)[C@@H]1CC1(F)F ZINC001579217605 1165240866 /nfs/dbraw/zinc/24/08/66/1165240866.db2.gz QHXLTSDCHYUGLV-ZETCQYMHSA-N -1 1 324.295 0.182 20 0 DCADMM CN1C(=O)COc2ccc(Nc3ccnc(-c4nn[n-]n4)n3)cc21 ZINC001579308281 1165267694 /nfs/dbraw/zinc/26/76/94/1165267694.db2.gz KBENKAQRUWDTMW-UHFFFAOYSA-N -1 1 324.304 0.177 20 0 DCADMM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001579442874 1165309360 /nfs/dbraw/zinc/30/93/60/1165309360.db2.gz MOTDYSFSTFVIQN-JGVFFNPUSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001579442874 1165309366 /nfs/dbraw/zinc/30/93/66/1165309366.db2.gz MOTDYSFSTFVIQN-JGVFFNPUSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001579470180 1165321120 /nfs/dbraw/zinc/32/11/20/1165321120.db2.gz SZSVCCOTVGECES-RKDXNWHRSA-N -1 1 316.321 0.143 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001579470180 1165321127 /nfs/dbraw/zinc/32/11/27/1165321127.db2.gz SZSVCCOTVGECES-RKDXNWHRSA-N -1 1 316.321 0.143 20 0 DCADMM COC(=O)c1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001579481532 1165326442 /nfs/dbraw/zinc/32/64/42/1165326442.db2.gz SYJCLYLHPOPDGY-UHFFFAOYSA-N -1 1 313.277 0.629 20 0 DCADMM COC(=O)c1ccc(Cn2cnc(-c3nn[n-]n3)cc2=O)s1 ZINC001579482317 1165326816 /nfs/dbraw/zinc/32/68/16/1165326816.db2.gz CLGGGRLWFIDMJO-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM COC(=O)c1csc(COc2cnc(-c3nn[n-]n3)nc2)n1 ZINC001579491267 1165330900 /nfs/dbraw/zinc/33/09/00/1165330900.db2.gz DKAZJYFTWZFXAW-UHFFFAOYSA-N -1 1 319.306 0.479 20 0 DCADMM COC(=O)c1csc(Cn2cncc(-c3nn[n-]n3)c2=O)c1 ZINC001579491294 1165331841 /nfs/dbraw/zinc/33/18/41/1165331841.db2.gz FYJRRLAJFQXGHV-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM COC(=O)c1occc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579493668 1165332428 /nfs/dbraw/zinc/33/24/28/1165332428.db2.gz SXZDQDFCUTYZCU-UHFFFAOYSA-N -1 1 317.261 0.769 20 0 DCADMM COC(=O)c1occc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579493668 1165332436 /nfs/dbraw/zinc/33/24/36/1165332436.db2.gz SXZDQDFCUTYZCU-UHFFFAOYSA-N -1 1 317.261 0.769 20 0 DCADMM CO[C@@H]1CCC[C@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001579850214 1165411735 /nfs/dbraw/zinc/41/17/35/1165411735.db2.gz NFNJYXGZKDXRPX-VXNVDRBHSA-N -1 1 323.382 0.690 20 0 DCADMM CO[C@@H]1CCC[C@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001579850214 1165411742 /nfs/dbraw/zinc/41/17/42/1165411742.db2.gz NFNJYXGZKDXRPX-VXNVDRBHSA-N -1 1 323.382 0.690 20 0 DCADMM COc1ncc(NC(=O)N[C@@H](C)C[C@H](C)O)cc1-c1nn[n-]n1 ZINC001580135835 1165513032 /nfs/dbraw/zinc/51/30/32/1165513032.db2.gz CCPORBVZARYIOF-YUMQZZPRSA-N -1 1 321.341 0.551 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC1(C)C ZINC001580290139 1165559734 /nfs/dbraw/zinc/55/97/34/1165559734.db2.gz DCYXMRZEPQUFOI-DTWKUNHWSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC001580445222 1165603946 /nfs/dbraw/zinc/60/39/46/1165603946.db2.gz VNITUDDVXNPNDJ-ZJUUUORDSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC001580445222 1165603950 /nfs/dbraw/zinc/60/39/50/1165603950.db2.gz VNITUDDVXNPNDJ-ZJUUUORDSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001580452438 1165605266 /nfs/dbraw/zinc/60/52/66/1165605266.db2.gz OAYFTSLTUXNYSQ-AEJSXWLSSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001580452438 1165605272 /nfs/dbraw/zinc/60/52/72/1165605272.db2.gz OAYFTSLTUXNYSQ-AEJSXWLSSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H]1[C@@H](O)CCN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001580456718 1165607344 /nfs/dbraw/zinc/60/73/44/1165607344.db2.gz OKZCEZSQMHJSND-BQBZGAKWSA-N -1 1 315.380 0.072 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CS[C@@H](C)C1 ZINC001580605399 1165654198 /nfs/dbraw/zinc/65/41/98/1165654198.db2.gz ZDEPXDYRTTUOQK-JGVFFNPUSA-N -1 1 320.378 0.900 20 0 DCADMM Cc1[nH][nH]c(=O)c1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001580606795 1165654803 /nfs/dbraw/zinc/65/48/03/1165654803.db2.gz OMZIRPJUBHFZKR-UHFFFAOYSA-N -1 1 316.281 0.265 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](c3cc(=O)[nH][nH]3)C2)n1 ZINC001580663220 1165677960 /nfs/dbraw/zinc/67/79/60/1165677960.db2.gz JTKHNRSPRCNVOK-MRVPVSSYSA-N -1 1 313.325 0.388 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)CCCF)n1 ZINC001580695743 1165689827 /nfs/dbraw/zinc/68/98/27/1165689827.db2.gz NSMWGQMXXDZLCI-SECBINFHSA-N -1 1 322.348 0.631 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)CCCF)n1 ZINC001580695743 1165689831 /nfs/dbraw/zinc/68/98/31/1165689831.db2.gz NSMWGQMXXDZLCI-SECBINFHSA-N -1 1 322.348 0.631 20 0 DCADMM Cc1ccnc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001581278911 1165809518 /nfs/dbraw/zinc/80/95/18/1165809518.db2.gz JNSQNRCKITYWOC-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1ccnc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001581278911 1165809524 /nfs/dbraw/zinc/80/95/24/1165809524.db2.gz JNSQNRCKITYWOC-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1ccncc1CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581287594 1165811294 /nfs/dbraw/zinc/81/12/94/1165811294.db2.gz KATXDRBVYRJNRM-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1ccncc1CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581287594 1165811299 /nfs/dbraw/zinc/81/12/99/1165811299.db2.gz KATXDRBVYRJNRM-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1nnc([C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)o3)C2)[nH]1 ZINC001581446142 1165828786 /nfs/dbraw/zinc/82/87/86/1165828786.db2.gz QGLYYMKASRQPEM-QMMMGPOBSA-N -1 1 314.309 0.516 20 0 DCADMM Cc1nc(CNc2cncc(-c3nnn[n-]3)n2)sc1C(N)=O ZINC001581454337 1165830278 /nfs/dbraw/zinc/83/02/78/1165830278.db2.gz VCJYNYNSQTUCNU-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cc1nc(CNc2cncc(-c3nn[n-]n3)n2)sc1C(N)=O ZINC001581454337 1165830285 /nfs/dbraw/zinc/83/02/85/1165830285.db2.gz VCJYNYNSQTUCNU-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cc1nc(N[C@@H]2CCCC(F)(F)[C@H]2O)cc(-c2nnn[n-]2)n1 ZINC001581526522 1165838717 /nfs/dbraw/zinc/83/87/17/1165838717.db2.gz LORVDFLWDMKYFP-XCBNKYQSSA-N -1 1 311.296 0.926 20 0 DCADMM Cc1nc(N[C@@H]2CCCC(F)(F)[C@H]2O)cc(-c2nn[n-]n2)n1 ZINC001581526522 1165838725 /nfs/dbraw/zinc/83/87/25/1165838725.db2.gz LORVDFLWDMKYFP-XCBNKYQSSA-N -1 1 311.296 0.926 20 0 DCADMM CC(C)N(CCCNC(=O)c1ncccc1[O-])C(=O)CC(N)=O ZINC001581594292 1165846714 /nfs/dbraw/zinc/84/67/14/1165846714.db2.gz PQPZDINSHLNZHU-UHFFFAOYSA-N -1 1 322.365 0.020 20 0 DCADMM Cc1noc(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001581636390 1165853927 /nfs/dbraw/zinc/85/39/27/1165853927.db2.gz QNEAFTXLJHQYCR-UHFFFAOYSA-N -1 1 321.326 0.014 20 0 DCADMM Cc1noc(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001581636390 1165853939 /nfs/dbraw/zinc/85/39/39/1165853939.db2.gz QNEAFTXLJHQYCR-UHFFFAOYSA-N -1 1 321.326 0.014 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](CO)[C@@H]1CCCOC1 ZINC001581727157 1165862982 /nfs/dbraw/zinc/86/29/82/1165862982.db2.gz LAEPFRRTGCDEIQ-KOLCDFICSA-N -1 1 321.337 0.285 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](CO)[C@@H]1CCCOC1 ZINC001581727157 1165862988 /nfs/dbraw/zinc/86/29/88/1165862988.db2.gz LAEPFRRTGCDEIQ-KOLCDFICSA-N -1 1 321.337 0.285 20 0 DCADMM Cn1cc([C@@H]2C[C@H]2C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001581775008 1165873068 /nfs/dbraw/zinc/87/30/68/1165873068.db2.gz NLPDQYMPZXSARI-NWDGAFQWSA-N -1 1 324.348 0.415 20 0 DCADMM Cn1cc([C@@H]2C[C@H]2C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001581775008 1165873088 /nfs/dbraw/zinc/87/30/88/1165873088.db2.gz NLPDQYMPZXSARI-NWDGAFQWSA-N -1 1 324.348 0.415 20 0 DCADMM Cn1ncc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)n1 ZINC001581831128 1165883580 /nfs/dbraw/zinc/88/35/80/1165883580.db2.gz JNTOKYGCBOMQBU-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM Cn1ncc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)n1 ZINC001581831128 1165883585 /nfs/dbraw/zinc/88/35/85/1165883585.db2.gz JNTOKYGCBOMQBU-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM FC(F)(F)c1noc(CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001581851254 1165887428 /nfs/dbraw/zinc/88/74/28/1165887428.db2.gz PGUBCLXDEJRTRJ-UHFFFAOYSA-N -1 1 313.203 0.671 20 0 DCADMM FC(F)(F)c1noc(CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001581851254 1165887435 /nfs/dbraw/zinc/88/74/35/1165887435.db2.gz PGUBCLXDEJRTRJ-UHFFFAOYSA-N -1 1 313.203 0.671 20 0 DCADMM FC(F)(F)CNC1CC(Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001581849590 1165888506 /nfs/dbraw/zinc/88/85/06/1165888506.db2.gz VVUACCRDJACMRX-UHFFFAOYSA-N -1 1 314.275 0.752 20 0 DCADMM FC(F)(F)CNC1CC(Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001581849590 1165888515 /nfs/dbraw/zinc/88/85/15/1165888515.db2.gz VVUACCRDJACMRX-UHFFFAOYSA-N -1 1 314.275 0.752 20 0 DCADMM NC(=O)CC1CC(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001581891848 1165906524 /nfs/dbraw/zinc/90/65/24/1165906524.db2.gz XGPGBDLNJMIZEP-UHFFFAOYSA-N -1 1 316.325 0.037 20 0 DCADMM NC(=O)CC1CC(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001581891848 1165906529 /nfs/dbraw/zinc/90/65/29/1165906529.db2.gz XGPGBDLNJMIZEP-UHFFFAOYSA-N -1 1 316.325 0.037 20 0 DCADMM NC(=O)c1cncc(Oc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001581905614 1165909756 /nfs/dbraw/zinc/90/97/56/1165909756.db2.gz SWBFGSQEVQZGTA-UHFFFAOYSA-N -1 1 324.304 0.820 20 0 DCADMM NC(=O)c1cncc(Oc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001581905614 1165909767 /nfs/dbraw/zinc/90/97/67/1165909767.db2.gz SWBFGSQEVQZGTA-UHFFFAOYSA-N -1 1 324.304 0.820 20 0 DCADMM O=C(CC1CC1)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001581968253 1165925014 /nfs/dbraw/zinc/92/50/14/1165925014.db2.gz WIKFEYYZCAIVTB-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](C1CC1)C1CCC1 ZINC001582198189 1165981663 /nfs/dbraw/zinc/98/16/63/1165981663.db2.gz PLRTWMAHCIOZEP-LLVKDONJSA-N -1 1 302.342 0.153 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCC[C@@H]1F ZINC001582528842 1166031937 /nfs/dbraw/zinc/03/19/37/1166031937.db2.gz PJBNPDVHAPAAOR-DTWKUNHWSA-N -1 1 323.336 0.038 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C1=C[S@](=O)CCC1 ZINC001582548763 1166038711 /nfs/dbraw/zinc/03/87/11/1166038711.db2.gz XJGAVHIIXPBJTD-OAQYLSRUSA-N -1 1 323.403 0.971 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1c(F)cncc1F ZINC001582554437 1166041318 /nfs/dbraw/zinc/04/13/18/1166041318.db2.gz JGAIDIIMFRIBCK-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1c(F)cncc1F ZINC001582554437 1166041325 /nfs/dbraw/zinc/04/13/25/1166041325.db2.gz JGAIDIIMFRIBCK-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1cnccn1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582558154 1166044278 /nfs/dbraw/zinc/04/42/78/1166044278.db2.gz JRUCGPHJJRGAEY-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1cnccn1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582558154 1166044285 /nfs/dbraw/zinc/04/42/85/1166044285.db2.gz JRUCGPHJJRGAEY-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NN1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)n1 ZINC001582561560 1166046253 /nfs/dbraw/zinc/04/62/53/1166046253.db2.gz KYHICYMIDXSNGH-UHFFFAOYSA-N -1 1 321.344 0.965 20 0 DCADMM O=C(NN1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)n1 ZINC001582561560 1166046255 /nfs/dbraw/zinc/04/62/55/1166046255.db2.gz KYHICYMIDXSNGH-UHFFFAOYSA-N -1 1 321.344 0.965 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ncoc1[C@H]1CCCO1 ZINC001582631219 1166054723 /nfs/dbraw/zinc/05/47/23/1166054723.db2.gz BWUXKWHSTCOAQM-SSDOTTSWSA-N -1 1 316.281 0.682 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccnn1CC(F)F ZINC001582644239 1166058363 /nfs/dbraw/zinc/05/83/63/1166058363.db2.gz ALUSMGUBBZINTP-UHFFFAOYSA-N -1 1 320.263 0.976 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccnn1CC(F)F ZINC001582644239 1166058373 /nfs/dbraw/zinc/05/83/73/1166058373.db2.gz ALUSMGUBBZINTP-UHFFFAOYSA-N -1 1 320.263 0.976 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCc2nccnc2C1 ZINC001582727836 1166070576 /nfs/dbraw/zinc/07/05/76/1166070576.db2.gz BHNBLQYQYJNFJR-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCc2nccnc2C1 ZINC001582727836 1166070584 /nfs/dbraw/zinc/07/05/84/1166070584.db2.gz BHNBLQYQYJNFJR-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@@H](c2ncon2)C1 ZINC001582744672 1166073625 /nfs/dbraw/zinc/07/36/25/1166073625.db2.gz CAVNWUNCIFVUCN-SSDOTTSWSA-N -1 1 317.334 0.941 20 0 DCADMM O=C1CN(c2ccc(-c3nnn[n-]3)nn2)[C@H](c2ccccc2)CN1 ZINC001582777350 1166080193 /nfs/dbraw/zinc/08/01/93/1166080193.db2.gz REYGOPFMEJTBPN-LBPRGKRZSA-N -1 1 322.332 0.334 20 0 DCADMM O=C1CN(c2ccc(-c3nn[n-]n3)nn2)[C@H](c2ccccc2)CN1 ZINC001582777350 1166080202 /nfs/dbraw/zinc/08/02/02/1166080202.db2.gz REYGOPFMEJTBPN-LBPRGKRZSA-N -1 1 322.332 0.334 20 0 DCADMM O=C(CCc1nn[n-]n1)NCc1ccc(-n2ccnc2)c(F)c1 ZINC001583269295 1166235651 /nfs/dbraw/zinc/23/56/51/1166235651.db2.gz WTJQKJUZXXOQKD-UHFFFAOYSA-N -1 1 315.312 0.774 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1 ZINC001583359127 1166247384 /nfs/dbraw/zinc/24/73/84/1166247384.db2.gz YDJCCDYZBUZBNF-SSDOTTSWSA-N -1 1 321.362 0.838 20 0 DCADMM O=C(c1onc2ccccc21)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001585183057 1166410489 /nfs/dbraw/zinc/41/04/89/1166410489.db2.gz FCYFFWYLRNNKOY-SNVBAGLBSA-N -1 1 300.278 0.555 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c1 ZINC001587274987 1166506548 /nfs/dbraw/zinc/50/65/48/1166506548.db2.gz YYAPGELMKCBFRU-LBPRGKRZSA-N -1 1 318.329 0.779 20 0 DCADMM CC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001588784651 1166590008 /nfs/dbraw/zinc/59/00/08/1166590008.db2.gz DUULUZJHMCGGLF-UHFFFAOYSA-N -1 1 313.364 0.328 20 0 DCADMM CC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001588784651 1166590017 /nfs/dbraw/zinc/59/00/17/1166590017.db2.gz DUULUZJHMCGGLF-UHFFFAOYSA-N -1 1 313.364 0.328 20 0 DCADMM CC(=O)N1CC[C@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588810981 1166594512 /nfs/dbraw/zinc/59/45/12/1166594512.db2.gz SKKPLJCYYOUHBJ-NSHDSACASA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)N1CC[C@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588810981 1166594516 /nfs/dbraw/zinc/59/45/16/1166594516.db2.gz SKKPLJCYYOUHBJ-NSHDSACASA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)N[C@H](C)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001588832002 1166603199 /nfs/dbraw/zinc/60/31/99/1166603199.db2.gz HKAQNYCVXGEXED-MRVPVSSYSA-N -1 1 315.337 0.066 20 0 DCADMM CC(=O)N[C@H](C)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001588832002 1166603202 /nfs/dbraw/zinc/60/32/02/1166603202.db2.gz HKAQNYCVXGEXED-MRVPVSSYSA-N -1 1 315.337 0.066 20 0 DCADMM CC(=O)N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588840034 1166606105 /nfs/dbraw/zinc/60/61/05/1166606105.db2.gz KPGRJTVVAAPYJU-WDEREUQCSA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588840034 1166606110 /nfs/dbraw/zinc/60/61/10/1166606110.db2.gz KPGRJTVVAAPYJU-WDEREUQCSA-N -1 1 316.369 0.764 20 0 DCADMM CC(=O)NCC(C)(C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001588851875 1166608677 /nfs/dbraw/zinc/60/86/77/1166608677.db2.gz MMQIZZPBBHPSAP-UHFFFAOYSA-N -1 1 309.355 0.424 20 0 DCADMM CC(=O)NCC(C)(C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001588851875 1166608684 /nfs/dbraw/zinc/60/86/84/1166608684.db2.gz MMQIZZPBBHPSAP-UHFFFAOYSA-N -1 1 309.355 0.424 20 0 DCADMM CC(=O)Nc1nnc(Sc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001588887129 1166613740 /nfs/dbraw/zinc/61/37/40/1166613740.db2.gz SCVOAVGIBDYQPN-UHFFFAOYSA-N -1 1 321.351 0.618 20 0 DCADMM CC(=O)Nc1nnc(Sc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001588887129 1166613745 /nfs/dbraw/zinc/61/37/45/1166613745.db2.gz SCVOAVGIBDYQPN-UHFFFAOYSA-N -1 1 321.351 0.618 20 0 DCADMM C[C@H](C(=O)NC(C)(C)C1CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588965782 1166620987 /nfs/dbraw/zinc/62/09/87/1166620987.db2.gz LDDUWBCWSYBSSR-MRVPVSSYSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@@H](C(=O)NC(C)(C)C1CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588965783 1166621986 /nfs/dbraw/zinc/62/19/86/1166621986.db2.gz LDDUWBCWSYBSSR-QMMMGPOBSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@H](C(=O)N(C)Cc1cccnc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943107 1166622031 /nfs/dbraw/zinc/62/20/31/1166622031.db2.gz JZDZIJNZNLJOGF-SECBINFHSA-N -1 1 313.325 0.073 20 0 DCADMM C[C@@H](C(=O)NC[C@@]1(C)CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588978213 1166624124 /nfs/dbraw/zinc/62/41/24/1166624124.db2.gz HDRXHPQMMNPJCD-QUBYGPBYSA-N -1 1 312.284 0.181 20 0 DCADMM C[C@@H](C(=O)NCC1(C2CC2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588979763 1166624267 /nfs/dbraw/zinc/62/42/67/1166624267.db2.gz XXYIFUNYFSWOOF-QMMMGPOBSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@H](C(=O)NC1(C)C(C)(C)C1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588970749 1166624792 /nfs/dbraw/zinc/62/47/92/1166624792.db2.gz ONJSFXQNKIODES-MRVPVSSYSA-N -1 1 318.385 0.960 20 0 DCADMM C[C@H](C(=O)Nc1cnn2ccccc12)n1cnc(-c2nn[n-]n2)n1 ZINC001589020185 1166629331 /nfs/dbraw/zinc/62/93/31/1166629331.db2.gz DGIATOKTDXUSMK-MRVPVSSYSA-N -1 1 324.308 0.306 20 0 DCADMM CC(C)(C)N1C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC001589136020 1166637288 /nfs/dbraw/zinc/63/72/88/1166637288.db2.gz ZBWIYXROYOKACI-SNVBAGLBSA-N -1 1 301.354 0.495 20 0 DCADMM CC(C)(C)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC001589136020 1166637296 /nfs/dbraw/zinc/63/72/96/1166637296.db2.gz ZBWIYXROYOKACI-SNVBAGLBSA-N -1 1 301.354 0.495 20 0 DCADMM CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1=O ZINC001589137332 1166638165 /nfs/dbraw/zinc/63/81/65/1166638165.db2.gz YRKYSMJGLTZEOG-MRVPVSSYSA-N -1 1 318.337 0.589 20 0 DCADMM CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1=O ZINC001589137332 1166638169 /nfs/dbraw/zinc/63/81/69/1166638169.db2.gz YRKYSMJGLTZEOG-MRVPVSSYSA-N -1 1 318.337 0.589 20 0 DCADMM CC(C)(C)OC(=O)NCCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589183182 1166640612 /nfs/dbraw/zinc/64/06/12/1166640612.db2.gz JKFPZTVZDXUFAL-UHFFFAOYSA-N -1 1 322.325 0.714 20 0 DCADMM CC(C)(C)OC(=O)NCCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589183182 1166640618 /nfs/dbraw/zinc/64/06/18/1166640618.db2.gz JKFPZTVZDXUFAL-UHFFFAOYSA-N -1 1 322.325 0.714 20 0 DCADMM CC(C)=CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001589363372 1166652468 /nfs/dbraw/zinc/65/24/68/1166652468.db2.gz PMGQDGWZXQCVSS-UHFFFAOYSA-N -1 1 314.353 0.272 20 0 DCADMM CC(C)=CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001589363372 1166652472 /nfs/dbraw/zinc/65/24/72/1166652472.db2.gz PMGQDGWZXQCVSS-UHFFFAOYSA-N -1 1 314.353 0.272 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589395789 1166653503 /nfs/dbraw/zinc/65/35/03/1166653503.db2.gz YNQVVEFXRSJHKE-SECBINFHSA-N -1 1 302.342 0.326 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589395789 1166653512 /nfs/dbraw/zinc/65/35/12/1166653512.db2.gz YNQVVEFXRSJHKE-SECBINFHSA-N -1 1 302.342 0.326 20 0 DCADMM CC(C)[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)N1CCCC1=O ZINC001589417995 1166657112 /nfs/dbraw/zinc/65/71/12/1166657112.db2.gz LTKFGQZQJMMPPQ-JTQLQIEISA-N -1 1 318.341 0.175 20 0 DCADMM CC(C)[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)N1CCCC1=O ZINC001589417995 1166657115 /nfs/dbraw/zinc/65/71/15/1166657115.db2.gz LTKFGQZQJMMPPQ-JTQLQIEISA-N -1 1 318.341 0.175 20 0 DCADMM CC(C)C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589405391 1166657173 /nfs/dbraw/zinc/65/71/73/1166657173.db2.gz DFOPTQAFKIMUBG-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589405391 1166657175 /nfs/dbraw/zinc/65/71/75/1166657175.db2.gz DFOPTQAFKIMUBG-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)[C@@H](CO)[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001589459737 1166658682 /nfs/dbraw/zinc/65/86/82/1166658682.db2.gz JHJGFEYVQXFNKO-ZYHUDNBSSA-N -1 1 305.386 0.780 20 0 DCADMM CC(C)[C@@H](C)NC(=O)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589436657 1166659278 /nfs/dbraw/zinc/65/92/78/1166659278.db2.gz DQAKJAYEGTXIGN-SECBINFHSA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)[C@@H](C)NC(=O)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589436657 1166659281 /nfs/dbraw/zinc/65/92/81/1166659281.db2.gz DQAKJAYEGTXIGN-SECBINFHSA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)[C@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C1CC1 ZINC001589474757 1166661082 /nfs/dbraw/zinc/66/10/82/1166661082.db2.gz BDCUMZXUWJHWIJ-NSHDSACASA-N -1 1 322.394 0.975 20 0 DCADMM CC(C)[C@@H](O)CCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001589479330 1166661330 /nfs/dbraw/zinc/66/13/30/1166661330.db2.gz CWBGUIPKYDHWFY-ZDUSSCGKSA-N -1 1 303.366 0.924 20 0 DCADMM CC(C)C1(O)CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001589493241 1166662971 /nfs/dbraw/zinc/66/29/71/1166662971.db2.gz CGMOCVNFPKUJMB-UHFFFAOYSA-N -1 1 301.354 0.741 20 0 DCADMM CC(C)C1(O)CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001589493241 1166662978 /nfs/dbraw/zinc/66/29/78/1166662978.db2.gz CGMOCVNFPKUJMB-UHFFFAOYSA-N -1 1 301.354 0.741 20 0 DCADMM CC(C)C[C@@H]1NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001589573907 1166667582 /nfs/dbraw/zinc/66/75/82/1166667582.db2.gz NZUZDRAILGSAKQ-ZETCQYMHSA-N -1 1 321.366 0.790 20 0 DCADMM CC(C)C[C@@H]1NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001589573907 1166667585 /nfs/dbraw/zinc/66/75/85/1166667585.db2.gz NZUZDRAILGSAKQ-ZETCQYMHSA-N -1 1 321.366 0.790 20 0 DCADMM CC(C)CN(C)C(=O)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589614168 1166669501 /nfs/dbraw/zinc/66/95/01/1166669501.db2.gz QPHPLXBXNUAEGD-UHFFFAOYSA-N -1 1 323.382 0.054 20 0 DCADMM CC(C)CN(C)C(=O)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589614168 1166669503 /nfs/dbraw/zinc/66/95/03/1166669503.db2.gz QPHPLXBXNUAEGD-UHFFFAOYSA-N -1 1 323.382 0.054 20 0 DCADMM CC(C)CN(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589614318 1166669900 /nfs/dbraw/zinc/66/99/00/1166669900.db2.gz UBQDPDJRWDKSPI-UHFFFAOYSA-N -1 1 303.326 0.315 20 0 DCADMM CC(C)CN(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589614318 1166669902 /nfs/dbraw/zinc/66/99/02/1166669902.db2.gz UBQDPDJRWDKSPI-UHFFFAOYSA-N -1 1 303.326 0.315 20 0 DCADMM CC(C)C[C@@H]1C[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001589658897 1166672089 /nfs/dbraw/zinc/67/20/89/1166672089.db2.gz VSVVFOPWAUGZIU-HTQZYQBOSA-N -1 1 305.342 0.513 20 0 DCADMM CC(C)NC(=O)CCCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589719736 1166675885 /nfs/dbraw/zinc/67/58/85/1166675885.db2.gz FORXLOXWHSHRTL-UHFFFAOYSA-N -1 1 306.330 0.223 20 0 DCADMM CC(C)NC(=O)CCCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589719736 1166675890 /nfs/dbraw/zinc/67/58/90/1166675890.db2.gz FORXLOXWHSHRTL-UHFFFAOYSA-N -1 1 306.330 0.223 20 0 DCADMM CC(C)c1nc(CCNc2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001589775950 1166685467 /nfs/dbraw/zinc/68/54/67/1166685467.db2.gz XNKLEFMJVPUSAM-UHFFFAOYSA-N -1 1 314.357 0.563 20 0 DCADMM CC(C)c1nc(CCNc2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001589775950 1166685470 /nfs/dbraw/zinc/68/54/70/1166685470.db2.gz XNKLEFMJVPUSAM-UHFFFAOYSA-N -1 1 314.357 0.563 20 0 DCADMM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589803831 1166690681 /nfs/dbraw/zinc/69/06/81/1166690681.db2.gz UMRSEBPLWYVARW-VHSXEESVSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589803831 1166690696 /nfs/dbraw/zinc/69/06/96/1166690696.db2.gz UMRSEBPLWYVARW-VHSXEESVSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](CN(C)C(=O)c1cscc1-c1nn[nH]n1)c1nn[n-]n1 ZINC001589841458 1166697129 /nfs/dbraw/zinc/69/71/29/1166697129.db2.gz TXJZRWGFGOKMPD-ZCFIWIBFSA-N -1 1 319.354 0.317 20 0 DCADMM C[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)C(C)(C)C ZINC001589875443 1166702552 /nfs/dbraw/zinc/70/25/52/1166702552.db2.gz GBUMYSICFSNJGT-ZETCQYMHSA-N -1 1 307.358 0.760 20 0 DCADMM C[C@H](C[S@](C)=O)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589888178 1166710121 /nfs/dbraw/zinc/71/01/21/1166710121.db2.gz HLEQPZZPCBPBPG-QFWYVNQISA-N -1 1 309.355 0.150 20 0 DCADMM C[C@H](C[S@](C)=O)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589888178 1166710126 /nfs/dbraw/zinc/71/01/26/1166710126.db2.gz HLEQPZZPCBPBPG-QFWYVNQISA-N -1 1 309.355 0.150 20 0 DCADMM C[C@@H](C[S@@](C)=O)N(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589889391 1166710656 /nfs/dbraw/zinc/71/06/56/1166710656.db2.gz RHDARWXCBMVXJU-QSIZCVBASA-N -1 1 321.410 0.737 20 0 DCADMM C[C@@H](C[S@@](C)=O)N(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589889391 1166710663 /nfs/dbraw/zinc/71/06/63/1166710663.db2.gz RHDARWXCBMVXJU-QSIZCVBASA-N -1 1 321.410 0.737 20 0 DCADMM C[C@H](CS(C)(=O)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589888602 1166711345 /nfs/dbraw/zinc/71/13/45/1166711345.db2.gz LZAITPSXGPUTKV-SCSAIBSYSA-N -1 1 322.803 0.822 20 0 DCADMM C[C@H](CS(C)(=O)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589888602 1166711351 /nfs/dbraw/zinc/71/13/51/1166711351.db2.gz LZAITPSXGPUTKV-SCSAIBSYSA-N -1 1 322.803 0.822 20 0 DCADMM C[C@@H](Cc1cnn(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589905568 1166713530 /nfs/dbraw/zinc/71/35/30/1166713530.db2.gz XLIAITSJIVCRSR-QMMMGPOBSA-N -1 1 301.310 0.554 20 0 DCADMM C[C@@H](Cc1cnn(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589905568 1166713539 /nfs/dbraw/zinc/71/35/39/1166713539.db2.gz XLIAITSJIVCRSR-QMMMGPOBSA-N -1 1 301.310 0.554 20 0 DCADMM C[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ncnn1C ZINC001589947974 1166729157 /nfs/dbraw/zinc/72/91/57/1166729157.db2.gz BZYGXIZMCOPCOG-ZCFIWIBFSA-N -1 1 304.339 0.548 20 0 DCADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)C1(S(C)(=O)=O)CC1 ZINC001589980105 1166735393 /nfs/dbraw/zinc/73/53/93/1166735393.db2.gz ICPANUCFMXZWAN-SSDOTTSWSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)C1(S(C)(=O)=O)CC1 ZINC001589980105 1166735401 /nfs/dbraw/zinc/73/54/01/1166735401.db2.gz ICPANUCFMXZWAN-SSDOTTSWSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)C(=O)NCCF ZINC001589980621 1166736273 /nfs/dbraw/zinc/73/62/73/1166736273.db2.gz NICFUQAVOLOIED-ZETCQYMHSA-N -1 1 320.332 0.420 20 0 DCADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)C(=O)NCCF ZINC001589980621 1166736280 /nfs/dbraw/zinc/73/62/80/1166736280.db2.gz NICFUQAVOLOIED-ZETCQYMHSA-N -1 1 320.332 0.420 20 0 DCADMM C[C@@](O)(CNc1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001589990001 1166737875 /nfs/dbraw/zinc/73/78/75/1166737875.db2.gz HXBUVTYOGYSFKF-GFCCVEGCSA-N -1 1 303.351 0.460 20 0 DCADMM C[C@@H](O)CN(c1cc(-c2nnn[n-]2)nc(C2CC2)n1)C1CC1 ZINC001590000916 1166748303 /nfs/dbraw/zinc/74/83/03/1166748303.db2.gz FRIZUURCSJOMBA-MRVPVSSYSA-N -1 1 301.354 0.884 20 0 DCADMM C[C@@H](O)CN(c1cc(-c2nn[n-]n2)nc(C2CC2)n1)C1CC1 ZINC001590000916 1166748305 /nfs/dbraw/zinc/74/83/05/1166748305.db2.gz FRIZUURCSJOMBA-MRVPVSSYSA-N -1 1 301.354 0.884 20 0 DCADMM C[C@H](O)CN(C(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001590000201 1166748639 /nfs/dbraw/zinc/74/86/39/1166748639.db2.gz IDYQYSBBPWBJGR-ZETCQYMHSA-N -1 1 323.382 0.378 20 0 DCADMM C[C@H](O)CN(C(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001590000201 1166748643 /nfs/dbraw/zinc/74/86/43/1166748643.db2.gz IDYQYSBBPWBJGR-ZETCQYMHSA-N -1 1 323.382 0.378 20 0 DCADMM C[C@H](OC(=O)c1csc(-c2nnn[n-]2)c1)[C@H]1CCNC(=O)C1 ZINC001590014378 1166752765 /nfs/dbraw/zinc/75/27/65/1166752765.db2.gz NGLZRJQRUSAQHM-YUMQZZPRSA-N -1 1 321.362 1.000 20 0 DCADMM C[C@H](OC(=O)c1csc(-c2nn[n-]n2)c1)[C@H]1CCNC(=O)C1 ZINC001590014378 1166752772 /nfs/dbraw/zinc/75/27/72/1166752772.db2.gz NGLZRJQRUSAQHM-YUMQZZPRSA-N -1 1 321.362 1.000 20 0 DCADMM CC1(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CC1 ZINC001590069841 1166762300 /nfs/dbraw/zinc/76/23/00/1166762300.db2.gz VXAMQHXGDPVEDD-UHFFFAOYSA-N -1 1 318.341 0.165 20 0 DCADMM CC1(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CC1 ZINC001590069841 1166762308 /nfs/dbraw/zinc/76/23/08/1166762308.db2.gz VXAMQHXGDPVEDD-UHFFFAOYSA-N -1 1 318.341 0.165 20 0 DCADMM CC1(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001590060003 1166763520 /nfs/dbraw/zinc/76/35/20/1166763520.db2.gz IYXNSBUQMXYMOB-VIFPVBQESA-N -1 1 314.353 0.470 20 0 DCADMM CC1(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001590060003 1166763526 /nfs/dbraw/zinc/76/35/26/1166763526.db2.gz IYXNSBUQMXYMOB-VIFPVBQESA-N -1 1 314.353 0.470 20 0 DCADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H](CO)O1 ZINC001590101938 1166772684 /nfs/dbraw/zinc/77/26/84/1166772684.db2.gz INBGXRNIKNVFJO-MRVPVSSYSA-N -1 1 307.310 0.072 20 0 DCADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H](CO)O1 ZINC001590101938 1166772689 /nfs/dbraw/zinc/77/26/89/1166772689.db2.gz INBGXRNIKNVFJO-MRVPVSSYSA-N -1 1 307.310 0.072 20 0 DCADMM CC1(C)COC(=O)[C@H]1OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590113686 1166778693 /nfs/dbraw/zinc/77/86/93/1166778693.db2.gz WIGXWAZCUXRAKV-SECBINFHSA-N -1 1 303.278 0.370 20 0 DCADMM CC1(C)COC(=O)[C@H]1OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590113686 1166778729 /nfs/dbraw/zinc/77/87/29/1166778729.db2.gz WIGXWAZCUXRAKV-SECBINFHSA-N -1 1 303.278 0.370 20 0 DCADMM CC1(C=CC(=O)n2ncc(-c3nn[n-]n3)c2N)CCOCC1 ZINC001590121214 1166780669 /nfs/dbraw/zinc/78/06/69/1166780669.db2.gz ZMCQVSZGKPEYII-IHWYPQMZSA-N -1 1 303.326 0.659 20 0 DCADMM CC1(O)CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001590150198 1166791487 /nfs/dbraw/zinc/79/14/87/1166791487.db2.gz MYGWLEQMAVSEBZ-UHFFFAOYSA-N -1 1 301.354 0.885 20 0 DCADMM CC1(O)CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001590150198 1166791497 /nfs/dbraw/zinc/79/14/97/1166791497.db2.gz MYGWLEQMAVSEBZ-UHFFFAOYSA-N -1 1 301.354 0.885 20 0 DCADMM CC1=CC[C@](C)(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590161233 1166792341 /nfs/dbraw/zinc/79/23/41/1166792341.db2.gz UWYZUQVGBYIQCH-AWEZNQCLSA-N -1 1 316.369 0.711 20 0 DCADMM C[C@H]1[C@@H](CO)CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590166700 1166795137 /nfs/dbraw/zinc/79/51/37/1166795137.db2.gz GLZQGFSROFLFSV-VHSXEESVSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@H]1[C@@H](CO)CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590166700 1166795144 /nfs/dbraw/zinc/79/51/44/1166795144.db2.gz GLZQGFSROFLFSV-VHSXEESVSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@H](C(=O)NC1C[C@H](C)C[C@@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590190362 1166802970 /nfs/dbraw/zinc/80/29/70/1166802970.db2.gz YUKJITMIGAJSJC-OPRDCNLKSA-N -1 1 318.385 0.960 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590195193 1166806209 /nfs/dbraw/zinc/80/62/09/1166806209.db2.gz YJEWYJSFKZECDJ-NXEZZACHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001590195193 1166806215 /nfs/dbraw/zinc/80/62/15/1166806215.db2.gz YJEWYJSFKZECDJ-NXEZZACHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)O1 ZINC001590207170 1166811813 /nfs/dbraw/zinc/81/18/13/1166811813.db2.gz PTJPQVGLGJJMQU-FYBVGQRMSA-N -1 1 324.366 0.106 20 0 DCADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)O1 ZINC001590207170 1166811820 /nfs/dbraw/zinc/81/18/20/1166811820.db2.gz PTJPQVGLGJJMQU-FYBVGQRMSA-N -1 1 324.366 0.106 20 0 DCADMM C[C@@H]1C[C@H](NCc2nc(-c3nnn[n-]3)cs2)c2ncnn21 ZINC001590206054 1166813380 /nfs/dbraw/zinc/81/33/80/1166813380.db2.gz SKKXLFXUHMNNTQ-RQJHMYQMSA-N -1 1 303.355 0.710 20 0 DCADMM C[C@@H]1C[C@H](NCc2nc(-c3nn[n-]n3)cs2)c2ncnn21 ZINC001590206054 1166813390 /nfs/dbraw/zinc/81/33/90/1166813390.db2.gz SKKXLFXUHMNNTQ-RQJHMYQMSA-N -1 1 303.355 0.710 20 0 DCADMM C[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CCS1(=O)=O ZINC001590208179 1166814824 /nfs/dbraw/zinc/81/48/24/1166814824.db2.gz WBWRRYXLDRJZCJ-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CCS1(=O)=O ZINC001590208179 1166814829 /nfs/dbraw/zinc/81/48/29/1166814829.db2.gz WBWRRYXLDRJZCJ-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1C[C@@]2(CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)O2)CO1 ZINC001590220956 1166819267 /nfs/dbraw/zinc/81/92/67/1166819267.db2.gz SPPISSLMQGYBEE-RULNRJAQSA-N -1 1 317.353 0.217 20 0 DCADMM C[C@H](C(=O)NCC1CCC(C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001590228404 1166821393 /nfs/dbraw/zinc/82/13/93/1166821393.db2.gz GPLCHPJUKRLIRZ-HSOILSAZSA-N -1 1 318.385 0.962 20 0 DCADMM CC1CCC(OCC(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC001590239661 1166825171 /nfs/dbraw/zinc/82/51/71/1166825171.db2.gz JYSDCYUUDVAWIH-UHFFFAOYSA-N -1 1 305.342 0.881 20 0 DCADMM C[C@H]1CCC[C@@]1(O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590251014 1166827264 /nfs/dbraw/zinc/82/72/64/1166827264.db2.gz XDMVLCXSXZVJJJ-ZUZCIYMTSA-N -1 1 316.365 0.472 20 0 DCADMM C[C@H]1CCC[C@@]1(O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590251014 1166827271 /nfs/dbraw/zinc/82/72/71/1166827271.db2.gz XDMVLCXSXZVJJJ-ZUZCIYMTSA-N -1 1 316.365 0.472 20 0 DCADMM C[C@H]1CCCN(C(=O)CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590259315 1166829203 /nfs/dbraw/zinc/82/92/03/1166829203.db2.gz ZNVLAFGPUWJGKA-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM C[C@H]1CCCN(C(=O)CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590259315 1166829206 /nfs/dbraw/zinc/82/92/06/1166829206.db2.gz ZNVLAFGPUWJGKA-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM C[C@@H]1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC[S@]1=O ZINC001590273192 1166834230 /nfs/dbraw/zinc/83/42/30/1166834230.db2.gz WLMDUTIFBLPGTP-LADRHHBVSA-N -1 1 306.395 0.605 20 0 DCADMM C[C@H]1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC[S@]1=O ZINC001590272725 1166834822 /nfs/dbraw/zinc/83/48/22/1166834822.db2.gz RCUWWOQNTNUEDR-FFVOIRBGSA-N -1 1 312.424 0.666 20 0 DCADMM C[C@H]1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC[S@]1=O ZINC001590272725 1166834829 /nfs/dbraw/zinc/83/48/29/1166834829.db2.gz RCUWWOQNTNUEDR-FFVOIRBGSA-N -1 1 312.424 0.666 20 0 DCADMM C[C@H]1CCN(c2cccnc2-c2nnn[n-]2)CCS1(=O)=O ZINC001590273921 1166836458 /nfs/dbraw/zinc/83/64/58/1166836458.db2.gz BWAOEQLHRWFZAW-VIFPVBQESA-N -1 1 308.367 0.275 20 0 DCADMM C[C@H]1CCN(c2cccnc2-c2nn[n-]n2)CCS1(=O)=O ZINC001590273921 1166836463 /nfs/dbraw/zinc/83/64/63/1166836463.db2.gz BWAOEQLHRWFZAW-VIFPVBQESA-N -1 1 308.367 0.275 20 0 DCADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@H]1O ZINC001590277322 1166838633 /nfs/dbraw/zinc/83/86/33/1166838633.db2.gz VJGSKGVTDMQJOY-LDYMZIIASA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@H]1O ZINC001590277322 1166838635 /nfs/dbraw/zinc/83/86/35/1166838635.db2.gz VJGSKGVTDMQJOY-LDYMZIIASA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)[C@H](C)[C@H](C)O1 ZINC001590293401 1166843130 /nfs/dbraw/zinc/84/31/30/1166843130.db2.gz XNDIDFOBBMKTPZ-MXWKQRLJSA-N -1 1 316.365 0.829 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)[C@H](C)[C@H](C)O1 ZINC001590293401 1166843131 /nfs/dbraw/zinc/84/31/31/1166843131.db2.gz XNDIDFOBBMKTPZ-MXWKQRLJSA-N -1 1 316.365 0.829 20 0 DCADMM C[C@@H]1Cn2ncnc2N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590295534 1166844598 /nfs/dbraw/zinc/84/45/98/1166844598.db2.gz BWPPAUZZSCZNHF-QMMMGPOBSA-N -1 1 311.309 0.150 20 0 DCADMM C[C@@H]1Cn2ncnc2N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590295534 1166844606 /nfs/dbraw/zinc/84/46/06/1166844606.db2.gz BWPPAUZZSCZNHF-QMMMGPOBSA-N -1 1 311.309 0.150 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccsc2-c2nnn[n-]2)CC(=O)N1C ZINC001590300858 1166848392 /nfs/dbraw/zinc/84/83/92/1166848392.db2.gz XSQOTMWQFOEDPO-SSDOTTSWSA-N -1 1 306.351 0.231 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccsc2-c2nn[n-]n2)CC(=O)N1C ZINC001590300858 1166848396 /nfs/dbraw/zinc/84/83/96/1166848396.db2.gz XSQOTMWQFOEDPO-SSDOTTSWSA-N -1 1 306.351 0.231 20 0 DCADMM C[C@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)C[C@@H](C2CC2)O1 ZINC001590311175 1166856894 /nfs/dbraw/zinc/85/68/94/1166856894.db2.gz WIZBLJGGSWNOTI-GWCFXTLKSA-N -1 1 316.365 0.485 20 0 DCADMM C[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H](CO)O1 ZINC001590316425 1166861209 /nfs/dbraw/zinc/86/12/09/1166861209.db2.gz MIQNXIXVGJGUAL-NTSWFWBYSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590321271 1166862546 /nfs/dbraw/zinc/86/25/46/1166862546.db2.gz CFJAZUNLNHHNKY-HTRCEHHLSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590321271 1166862556 /nfs/dbraw/zinc/86/25/56/1166862556.db2.gz CFJAZUNLNHHNKY-HTRCEHHLSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CO[C@H](CO)CN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590325276 1166866389 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C[C@@H]1OCC[C@]12CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001590334682 1166872668 /nfs/dbraw/zinc/87/26/68/1166872668.db2.gz SQANEALGCGYGPV-ZANVPECISA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1OCC[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001590340337 1166876430 /nfs/dbraw/zinc/87/64/30/1166876430.db2.gz YTZAIULMZSXSEN-HTRCEHHLSA-N -1 1 303.326 0.831 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590343772 1166877190 /nfs/dbraw/zinc/87/71/90/1166877190.db2.gz QBTRCSPKIGKYRM-YHYXMXQVSA-N -1 1 316.369 0.518 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590343772 1166877192 /nfs/dbraw/zinc/87/71/92/1166877192.db2.gz QBTRCSPKIGKYRM-YHYXMXQVSA-N -1 1 316.369 0.518 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590347160 1166879480 /nfs/dbraw/zinc/87/94/80/1166879480.db2.gz CDJSRNFDRLBGIJ-JXTMMUOFSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590347160 1166879486 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CCC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590360777 1166885416 /nfs/dbraw/zinc/88/54/16/1166885416.db2.gz KXYDGZLPPBFQAM-SECBINFHSA-N -1 1 302.342 0.327 20 0 DCADMM CC/C(C)=C\C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590385928 1166894207 /nfs/dbraw/zinc/89/42/07/1166894207.db2.gz UQVAHORGTCUSLQ-YFHOEESVSA-N -1 1 316.369 0.883 20 0 DCADMM CC/C(C)=C\C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590385928 1166894212 /nfs/dbraw/zinc/89/42/12/1166894212.db2.gz UQVAHORGTCUSLQ-YFHOEESVSA-N -1 1 316.369 0.883 20 0 DCADMM CC[C@H](C)[C@@H](COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)OC ZINC001590400276 1166897104 /nfs/dbraw/zinc/89/71/04/1166897104.db2.gz OYNKCSYMBXDWIY-IVZWLZJFSA-N -1 1 323.357 0.624 20 0 DCADMM CC[C@@H](C)C[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590405876 1166901485 /nfs/dbraw/zinc/90/14/85/1166901485.db2.gz DABJUPGIFCGHBA-KOLCDFICSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@@H](C)C[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590405876 1166901490 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1167036544 /nfs/dbraw/zinc/03/65/44/1167036544.db2.gz CJXKRJNSELWLMF-UHFFFAOYSA-N -1 1 322.394 0.949 20 0 DCADMM CC[C@@H]1C(=O)NCCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590857470 1167038001 /nfs/dbraw/zinc/03/80/01/1167038001.db2.gz SOHHNFIOONLAQY-SECBINFHSA-N -1 1 307.383 0.424 20 0 DCADMM CC[C@@H]1C(=O)NCCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590857470 1167038007 /nfs/dbraw/zinc/03/80/07/1167038007.db2.gz SOHHNFIOONLAQY-SECBINFHSA-N -1 1 307.383 0.424 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3COC[C@@H]3C2)n1 ZINC001590906286 1167045705 /nfs/dbraw/zinc/04/57/05/1167045705.db2.gz CSUUWCQCGGKDTB-UWVGGRQHSA-N -1 1 301.354 0.692 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3COC[C@@H]3C2)n1 ZINC001590906286 1167045707 /nfs/dbraw/zinc/04/57/07/1167045707.db2.gz CSUUWCQCGGKDTB-UWVGGRQHSA-N -1 1 301.354 0.692 20 0 DCADMM CCc1nc(N[C@H](CCOC)COC)cc(-c2nnn[n-]2)n1 ZINC001590916375 1167048810 /nfs/dbraw/zinc/04/88/10/1167048810.db2.gz GRPRCDILFSVGNW-SECBINFHSA-N -1 1 307.358 0.683 20 0 DCADMM CCc1nc(N[C@H](CCOC)COC)cc(-c2nn[n-]n2)n1 ZINC001590916375 1167048816 /nfs/dbraw/zinc/04/88/16/1167048816.db2.gz GRPRCDILFSVGNW-SECBINFHSA-N -1 1 307.358 0.683 20 0 DCADMM CCc1nc(N[C@@H](CO)c2ncc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001590915903 1167049795 /nfs/dbraw/zinc/04/97/95/1167049795.db2.gz WOGOWPFTUGSUFY-QMMMGPOBSA-N -1 1 301.314 0.088 20 0 DCADMM CCc1nc(N[C@@H](CO)c2ncc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001590915903 1167049799 /nfs/dbraw/zinc/04/97/99/1167049799.db2.gz WOGOWPFTUGSUFY-QMMMGPOBSA-N -1 1 301.314 0.088 20 0 DCADMM CCc1nc(NC[C@@H](O)c2ccnn2C)cc(-c2nnn[n-]2)n1 ZINC001590918122 1167051067 /nfs/dbraw/zinc/05/10/67/1167051067.db2.gz QZQVFDNHDLGNNS-SNVBAGLBSA-N -1 1 315.341 0.098 20 0 DCADMM CCc1nc(NC[C@@H](O)c2ccnn2C)cc(-c2nn[n-]n2)n1 ZINC001590918122 1167051070 /nfs/dbraw/zinc/05/10/70/1167051070.db2.gz QZQVFDNHDLGNNS-SNVBAGLBSA-N -1 1 315.341 0.098 20 0 DCADMM CN(C(=O)c1ccc(=O)n(C)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590993003 1167067769 /nfs/dbraw/zinc/06/77/69/1167067769.db2.gz 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1167098229 /nfs/dbraw/zinc/09/82/29/1167098229.db2.gz DAYPKNUFCLOXPP-VIFPVBQESA-N -1 1 319.325 0.141 20 0 DCADMM CN(c1nc(Cn2cc(-c3nn[n-]n3)nn2)cs1)C1CC1 ZINC001591159433 1167121812 /nfs/dbraw/zinc/12/18/12/1167121812.db2.gz ICJIMJNOPZWTQS-UHFFFAOYSA-N -1 1 303.355 0.562 20 0 DCADMM CN1C[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1=O ZINC001591168320 1167122131 /nfs/dbraw/zinc/12/21/31/1167122131.db2.gz KAHGVTPPEFHHBN-MRVPVSSYSA-N -1 1 320.378 0.526 20 0 DCADMM CN1C[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1=O ZINC001591168320 1167122134 /nfs/dbraw/zinc/12/21/34/1167122134.db2.gz KAHGVTPPEFHHBN-MRVPVSSYSA-N -1 1 320.378 0.526 20 0 DCADMM CNC(=O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001591201633 1167149573 /nfs/dbraw/zinc/14/95/73/1167149573.db2.gz FULQFGGAYRRZJP-SECBINFHSA-N -1 1 314.353 0.106 20 0 DCADMM CNC(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001591201633 1167149577 /nfs/dbraw/zinc/14/95/77/1167149577.db2.gz FULQFGGAYRRZJP-SECBINFHSA-N -1 1 314.353 0.106 20 0 DCADMM 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1167183006 /nfs/dbraw/zinc/18/30/06/1167183006.db2.gz JMGTVCCMAGKTEI-UHFFFAOYSA-N -1 1 318.337 0.725 20 0 DCADMM COC(=O)CCSCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001591265785 1167187823 /nfs/dbraw/zinc/18/78/23/1167187823.db2.gz WMIZEWRWJFXDPO-UHFFFAOYSA-N -1 1 309.355 0.365 20 0 DCADMM COC(=O)CCSCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001591265785 1167187829 /nfs/dbraw/zinc/18/78/29/1167187829.db2.gz WMIZEWRWJFXDPO-UHFFFAOYSA-N -1 1 309.355 0.365 20 0 DCADMM COC(=O)N1CCN(c2nc(-c3nnn[n-]3)ccc2C)CC1 ZINC001591272849 1167192160 /nfs/dbraw/zinc/19/21/60/1167192160.db2.gz IHYPMFMWSIWCPU-UHFFFAOYSA-N -1 1 303.326 0.459 20 0 DCADMM COC(=O)N1CCN(c2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC001591272849 1167192164 /nfs/dbraw/zinc/19/21/64/1167192164.db2.gz IHYPMFMWSIWCPU-UHFFFAOYSA-N -1 1 303.326 0.459 20 0 DCADMM COC(=O)N1CCC(CNc2ncncc2-c2nn[n-]n2)CC1 ZINC001591273746 1167193990 /nfs/dbraw/zinc/19/39/90/1167193990.db2.gz ZIHILHNQPDRMJR-UHFFFAOYSA-N -1 1 318.341 0.547 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001591278649 1167196836 /nfs/dbraw/zinc/19/68/36/1167196836.db2.gz XYVHRLKDIVCAPL-PSASIEDQSA-N -1 1 316.321 0.143 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001591278649 1167196839 /nfs/dbraw/zinc/19/68/39/1167196839.db2.gz XYVHRLKDIVCAPL-PSASIEDQSA-N -1 1 316.321 0.143 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n([C@H]2COC(C)(C)C2)c1 ZINC001591287155 1167199637 /nfs/dbraw/zinc/19/96/37/1167199637.db2.gz WYWATFLRIQDMQK-SECBINFHSA-N -1 1 319.321 0.555 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCSC(C)C)c1 ZINC001591285083 1167199744 /nfs/dbraw/zinc/19/97/44/1167199744.db2.gz CPFHAHBIDCZOCM-UHFFFAOYSA-N -1 1 323.378 0.957 20 0 DCADMM CO[C@@](C)(C(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001591314186 1167209208 /nfs/dbraw/zinc/20/92/08/1167209208.db2.gz IIXWZLXEPJIWJQ-GFCCVEGCSA-N -1 1 308.367 0.755 20 0 DCADMM CO[C@@](C)(C(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001591314186 1167209213 /nfs/dbraw/zinc/20/92/13/1167209213.db2.gz IIXWZLXEPJIWJQ-GFCCVEGCSA-N -1 1 308.367 0.755 20 0 DCADMM CO[C@@H](C)c1noc(Cn2c(C)c(C)nc2-c2nnn[n-]2)n1 ZINC001591325045 1167216143 /nfs/dbraw/zinc/21/61/43/1167216143.db2.gz JUGJSOJENYAIQD-QMMMGPOBSA-N -1 1 304.314 0.819 20 0 DCADMM CO[C@@H](C)c1noc(Cn2c(C)c(C)nc2-c2nn[n-]n2)n1 ZINC001591325045 1167216145 /nfs/dbraw/zinc/21/61/45/1167216145.db2.gz JUGJSOJENYAIQD-QMMMGPOBSA-N -1 1 304.314 0.819 20 0 DCADMM CO[C@@]1(CO)CCCN(c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001591344467 1167225006 /nfs/dbraw/zinc/22/50/06/1167225006.db2.gz WKZYDMZTCLMOKI-AWEZNQCLSA-N -1 1 304.354 0.548 20 0 DCADMM CO[C@@]1(CO)CCCN(c2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001591344467 1167225013 /nfs/dbraw/zinc/22/50/13/1167225013.db2.gz WKZYDMZTCLMOKI-AWEZNQCLSA-N -1 1 304.354 0.548 20 0 DCADMM CO[C@@]1(COC(=O)c2ccnc(-c3nnn[n-]3)c2)CCOC1 ZINC001591344550 1167226016 /nfs/dbraw/zinc/22/60/16/1167226016.db2.gz ZGWXOZIFHKKDGW-ZDUSSCGKSA-N -1 1 305.294 0.224 20 0 DCADMM CO[C@@]1(COC(=O)c2ccnc(-c3nn[n-]n3)c2)CCOC1 ZINC001591344550 1167226018 /nfs/dbraw/zinc/22/60/18/1167226018.db2.gz ZGWXOZIFHKKDGW-ZDUSSCGKSA-N -1 1 305.294 0.224 20 0 DCADMM CO[C@@H]1CCCN(NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591353494 1167229652 /nfs/dbraw/zinc/22/96/52/1167229652.db2.gz CARFHDUTJCSGSZ-SECBINFHSA-N -1 1 303.326 0.017 20 0 DCADMM CO[C@@H]1CCCN(NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591353494 1167229660 /nfs/dbraw/zinc/22/96/60/1167229660.db2.gz CARFHDUTJCSGSZ-SECBINFHSA-N -1 1 303.326 0.017 20 0 DCADMM CO[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001591357728 1167230594 /nfs/dbraw/zinc/23/05/94/1167230594.db2.gz PMPRKZUCDCGSBF-NXEZZACHSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001591357728 1167230602 /nfs/dbraw/zinc/23/06/02/1167230602.db2.gz PMPRKZUCDCGSBF-NXEZZACHSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@H]1CC[C@H]1N(C)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001591356130 1167230905 /nfs/dbraw/zinc/23/09/05/1167230905.db2.gz XGXUKMFCZDVWMR-BDAKNGLRSA-N -1 1 324.366 0.060 20 0 DCADMM CO[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC[C@H]1C ZINC001591361064 1167236169 /nfs/dbraw/zinc/23/61/69/1167236169.db2.gz LRJUDDFLUGMPEZ-ZWNOBZJWSA-N -1 1 316.365 0.688 20 0 DCADMM CO[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC[C@H]1C ZINC001591361064 1167236176 /nfs/dbraw/zinc/23/61/76/1167236176.db2.gz LRJUDDFLUGMPEZ-ZWNOBZJWSA-N -1 1 316.365 0.688 20 0 DCADMM CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1C ZINC001591363927 1167239869 /nfs/dbraw/zinc/23/98/69/1167239869.db2.gz WXVGLBLNQZPAOK-JOYOIKCWSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1C ZINC001591363927 1167239877 /nfs/dbraw/zinc/23/98/77/1167239877.db2.gz WXVGLBLNQZPAOK-JOYOIKCWSA-N -1 1 302.338 0.759 20 0 DCADMM COC[C@@H](CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001591375579 1167247984 /nfs/dbraw/zinc/24/79/84/1167247984.db2.gz GBOLTUCZQQZJLP-NXEZZACHSA-N -1 1 322.373 0.054 20 0 DCADMM COCC1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001591395645 1167263490 /nfs/dbraw/zinc/26/34/90/1167263490.db2.gz HBFOWYORGHAQPX-UHFFFAOYSA-N -1 1 315.380 0.195 20 0 DCADMM COCC1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001591395645 1167263496 /nfs/dbraw/zinc/26/34/96/1167263496.db2.gz HBFOWYORGHAQPX-UHFFFAOYSA-N -1 1 315.380 0.195 20 0 DCADMM COCC[C@@H](C)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591397802 1167265673 /nfs/dbraw/zinc/26/56/73/1167265673.db2.gz FLKCVGOTPGGXLY-SNVBAGLBSA-N -1 1 304.354 0.593 20 0 DCADMM COCC[C@@H](C)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591397802 1167265679 /nfs/dbraw/zinc/26/56/79/1167265679.db2.gz FLKCVGOTPGGXLY-SNVBAGLBSA-N -1 1 304.354 0.593 20 0 DCADMM COCCN(Cc1ccccn1)c1cc(-c2nnn[n-]2)ncn1 ZINC001591427742 1167281435 /nfs/dbraw/zinc/28/14/35/1167281435.db2.gz JGYRWRNCTHFAMD-UHFFFAOYSA-N -1 1 312.337 0.705 20 0 DCADMM COCCN(Cc1ccccn1)c1cc(-c2nn[n-]n2)ncn1 ZINC001591427742 1167281439 /nfs/dbraw/zinc/28/14/39/1167281439.db2.gz JGYRWRNCTHFAMD-UHFFFAOYSA-N -1 1 312.337 0.705 20 0 DCADMM COCCOCC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001591437013 1167285671 /nfs/dbraw/zinc/28/56/71/1167285671.db2.gz QFIOVJSWFHJELR-UHFFFAOYSA-N -1 1 307.314 0.069 20 0 DCADMM COCCn1cc(CNc2n[nH]c(C)c2-c2nnn[n-]2)cn1 ZINC001591450891 1167291736 /nfs/dbraw/zinc/29/17/36/1167291736.db2.gz UXQWVIJIMJEPEB-UHFFFAOYSA-N -1 1 303.330 0.353 20 0 DCADMM COCCn1cc(CNc2n[nH]c(C)c2-c2nn[n-]n2)cn1 ZINC001591450891 1167291744 /nfs/dbraw/zinc/29/17/44/1167291744.db2.gz UXQWVIJIMJEPEB-UHFFFAOYSA-N -1 1 303.330 0.353 20 0 DCADMM CO[C@H](C)CNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001591473938 1167305130 /nfs/dbraw/zinc/30/51/30/1167305130.db2.gz VZHLRHXTAWBHAY-ZCFIWIBFSA-N -1 1 303.369 0.241 20 0 DCADMM COc1ccccc1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591650700 1167341236 /nfs/dbraw/zinc/34/12/36/1167341236.db2.gz HKUJHYOPSOUQLA-MRVPVSSYSA-N -1 1 314.309 0.667 20 0 DCADMM COc1ncc(NC(=O)N(C)[C@H](C)CCO)cc1-c1nn[n-]n1 ZINC001591664725 1167343532 /nfs/dbraw/zinc/34/35/32/1167343532.db2.gz MRMKXZPSTGWPSX-MRVPVSSYSA-N -1 1 321.341 0.505 20 0 DCADMM COc1ncc(NC(=O)C=Cc2ccncn2)cc1-c1nn[n-]n1 ZINC001591665544 1167345646 /nfs/dbraw/zinc/34/56/46/1167345646.db2.gz WRALIYURHTXNOY-NSCUHMNNSA-N -1 1 324.304 0.712 20 0 DCADMM COc1nn(C)cc1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591670093 1167346036 /nfs/dbraw/zinc/34/60/36/1167346036.db2.gz PSUJBSRRPCYWRX-UHFFFAOYSA-N -1 1 301.314 0.319 20 0 DCADMM COc1nn(C)cc1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591670093 1167346041 /nfs/dbraw/zinc/34/60/41/1167346041.db2.gz PSUJBSRRPCYWRX-UHFFFAOYSA-N -1 1 301.314 0.319 20 0 DCADMM CS(=O)(=O)c1cccc(Oc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591681423 1167351746 /nfs/dbraw/zinc/35/17/46/1167351746.db2.gz KDSCDYKUBYLDHT-UHFFFAOYSA-N -1 1 318.318 0.853 20 0 DCADMM CSc1cccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)n1 ZINC001591715094 1167360749 /nfs/dbraw/zinc/36/07/49/1167360749.db2.gz CBXSRVDEBJNOSI-UHFFFAOYSA-N -1 1 302.323 0.451 20 0 DCADMM CSc1nccnc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001591720623 1167362334 /nfs/dbraw/zinc/36/23/34/1167362334.db2.gz CMOHNLLFAGNYPW-UHFFFAOYSA-N -1 1 303.311 0.354 20 0 DCADMM CSc1nccnc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001591720623 1167362338 /nfs/dbraw/zinc/36/23/38/1167362338.db2.gz CMOHNLLFAGNYPW-UHFFFAOYSA-N -1 1 303.311 0.354 20 0 DCADMM C[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(=O)N1CCCC1 ZINC001591769475 1167370652 /nfs/dbraw/zinc/37/06/52/1167370652.db2.gz VEOXMHZYNHKMAT-VIFPVBQESA-N -1 1 315.337 0.002 20 0 DCADMM C[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(=O)N1CCCC1 ZINC001591769475 1167370656 /nfs/dbraw/zinc/37/06/56/1167370656.db2.gz VEOXMHZYNHKMAT-VIFPVBQESA-N -1 1 315.337 0.002 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CCCSC1 ZINC001591836173 1167390352 /nfs/dbraw/zinc/39/03/52/1167390352.db2.gz ZJEGGALHJDSBIV-QMMMGPOBSA-N -1 1 320.378 0.901 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CSC[C@@H]1C ZINC001591835999 1167390716 /nfs/dbraw/zinc/39/07/16/1167390716.db2.gz SDBKJQGYWOWTNX-IONNQARKSA-N -1 1 320.378 0.757 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](OC(=O)N(C)C)C2)n1 ZINC001591886803 1167411385 /nfs/dbraw/zinc/41/13/85/1167411385.db2.gz GMIBCGSKNPUTKL-SECBINFHSA-N -1 1 318.341 0.242 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](OC(=O)N(C)C)C2)n1 ZINC001591886803 1167411391 /nfs/dbraw/zinc/41/13/91/1167411391.db2.gz GMIBCGSKNPUTKL-SECBINFHSA-N -1 1 318.341 0.242 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@@H]3CCCCN3C2=O)n1 ZINC001591892944 1167412781 /nfs/dbraw/zinc/41/27/81/1167412781.db2.gz UUZZZCFODSJPBA-GXSJLCMTSA-N -1 1 314.353 0.530 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@@H]3CCCCN3C2=O)n1 ZINC001591892944 1167412784 /nfs/dbraw/zinc/41/27/84/1167412784.db2.gz UUZZZCFODSJPBA-GXSJLCMTSA-N -1 1 314.353 0.530 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CCS(C)(=O)=O)n1 ZINC001591892066 1167412907 /nfs/dbraw/zinc/41/29/07/1167412907.db2.gz UUUFKZIDTPIJRU-ZETCQYMHSA-N -1 1 311.371 0.200 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CCS(C)(=O)=O)n1 ZINC001591892066 1167412909 /nfs/dbraw/zinc/41/29/09/1167412909.db2.gz UUUFKZIDTPIJRU-ZETCQYMHSA-N -1 1 311.371 0.200 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCN(C)CC(F)(F)F)n1 ZINC001591898888 1167413810 /nfs/dbraw/zinc/41/38/10/1167413810.db2.gz DGUFYAODZRGBFW-UHFFFAOYSA-N -1 1 316.291 0.871 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCN(C)CC(F)(F)F)n1 ZINC001591898888 1167413813 /nfs/dbraw/zinc/41/38/13/1167413813.db2.gz DGUFYAODZRGBFW-UHFFFAOYSA-N -1 1 316.291 0.871 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](CO)C2CCOCC2)n1 ZINC001591891744 1167414308 /nfs/dbraw/zinc/41/43/08/1167414308.db2.gz BBYDFDQUEPEKDY-NSHDSACASA-N -1 1 305.342 0.165 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](CO)C2CCOCC2)n1 ZINC001591891744 1167414310 /nfs/dbraw/zinc/41/43/10/1167414310.db2.gz BBYDFDQUEPEKDY-NSHDSACASA-N -1 1 305.342 0.165 20 0 DCADMM Cc1cc(N(C)CCNC(=O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001591994977 1167430243 /nfs/dbraw/zinc/43/02/43/1167430243.db2.gz MJUPWTPBHVQXHL-UHFFFAOYSA-N -1 1 303.370 0.779 20 0 DCADMM Cc1cc(N(C)CCNC(=O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001591994977 1167430247 /nfs/dbraw/zinc/43/02/47/1167430247.db2.gz MJUPWTPBHVQXHL-UHFFFAOYSA-N -1 1 303.370 0.779 20 0 DCADMM Cc1cc(N2CCC[C@H]2C(=O)N(C)C)cc(-c2nnn[n-]2)n1 ZINC001592006628 1167432690 /nfs/dbraw/zinc/43/26/90/1167432690.db2.gz ZRQGVQVODNXWCL-LBPRGKRZSA-N -1 1 301.354 0.627 20 0 DCADMM Cc1cc(N2CCC[C@H]2C(=O)N(C)C)cc(-c2nn[n-]n2)n1 ZINC001592006628 1167432692 /nfs/dbraw/zinc/43/26/92/1167432692.db2.gz ZRQGVQVODNXWCL-LBPRGKRZSA-N -1 1 301.354 0.627 20 0 DCADMM Cc1cc(N[C@H](C)c2nnnn2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001592033183 1167441745 /nfs/dbraw/zinc/44/17/45/1167441745.db2.gz CAEYHUZALGEXOE-MRVPVSSYSA-N -1 1 312.341 0.487 20 0 DCADMM Cc1cc(N[C@H](C)c2nnnn2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001592033183 1167441748 /nfs/dbraw/zinc/44/17/48/1167441748.db2.gz CAEYHUZALGEXOE-MRVPVSSYSA-N -1 1 312.341 0.487 20 0 DCADMM Cc1cc(NCC(=O)N2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001592038631 1167442547 /nfs/dbraw/zinc/44/25/47/1167442547.db2.gz FMIYFTFMUFTZQP-UHFFFAOYSA-N -1 1 301.354 0.995 20 0 DCADMM Cc1cc(NCC(=O)N2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001592038631 1167442550 /nfs/dbraw/zinc/44/25/50/1167442550.db2.gz FMIYFTFMUFTZQP-UHFFFAOYSA-N -1 1 301.354 0.995 20 0 DCADMM Cc1cc(NCC2(S(C)(=O)=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001592043042 1167445028 /nfs/dbraw/zinc/44/50/28/1167445028.db2.gz XDYFFCVADBNTEY-UHFFFAOYSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1cc(NCC2(S(C)(=O)=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001592043042 1167445032 /nfs/dbraw/zinc/44/50/32/1167445032.db2.gz XDYFFCVADBNTEY-UHFFFAOYSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCCS(N)(=O)=O ZINC001592113432 1167458392 /nfs/dbraw/zinc/45/83/92/1167458392.db2.gz GIRHPDYYBCUAAF-UHFFFAOYSA-N -1 1 311.371 0.051 20 0 DCADMM Cc1ccc(C(=O)Cn2cncc(-c3nn[n-]n3)c2=O)s1 ZINC001592115553 1167459190 /nfs/dbraw/zinc/45/91/90/1167459190.db2.gz OYAIDBSJYOUYOE-UHFFFAOYSA-N -1 1 302.319 0.676 20 0 DCADMM Cc1ccc(C=CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC001592144120 1167463049 /nfs/dbraw/zinc/46/30/49/1167463049.db2.gz MVDRNCUJMXXSQL-AATRIKPKSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1ccc(C=CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC001592144120 1167463056 /nfs/dbraw/zinc/46/30/56/1167463056.db2.gz MVDRNCUJMXXSQL-AATRIKPKSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)o1 ZINC001592166344 1167468338 /nfs/dbraw/zinc/46/83/38/1167468338.db2.gz GICJHLWNOUEHNY-UHFFFAOYSA-N -1 1 303.282 0.180 20 0 DCADMM Cc1ccc(NC[C@H]2CCCS(=O)(=O)C2)nc1-c1nnn[n-]1 ZINC001592183007 1167469704 /nfs/dbraw/zinc/46/97/04/1167469704.db2.gz IZUDVEDUSWDKOF-SNVBAGLBSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(NC[C@H]2CCCS(=O)(=O)C2)nc1-c1nn[n-]n1 ZINC001592183007 1167469709 /nfs/dbraw/zinc/46/97/09/1167469709.db2.gz IZUDVEDUSWDKOF-SNVBAGLBSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c(O)c1 ZINC001592179958 1167470761 /nfs/dbraw/zinc/47/07/61/1167470761.db2.gz ZKCWERVKCPOAAM-MRVPVSSYSA-N -1 1 314.309 0.672 20 0 DCADMM Cc1ccc(N[C@H]2C[C@H](S(C)(=O)=O)C2)c(-c2nnn[n-]2)n1 ZINC001592186340 1167472268 /nfs/dbraw/zinc/47/22/68/1167472268.db2.gz OUYQMVZHQMRUJB-KYZUINATSA-N -1 1 308.367 0.558 20 0 DCADMM Cc1ccc(N[C@H]2C[C@H](S(C)(=O)=O)C2)c(-c2nn[n-]n2)n1 ZINC001592186340 1167472272 /nfs/dbraw/zinc/47/22/72/1167472272.db2.gz OUYQMVZHQMRUJB-KYZUINATSA-N -1 1 308.367 0.558 20 0 DCADMM Cc1ccn(CN2CCCO[C@H](C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266666 1167480579 /nfs/dbraw/zinc/48/05/79/1167480579.db2.gz FMLBYNQPKNROMC-LLVKDONJSA-N -1 1 304.354 0.405 20 0 DCADMM Cc1cnc2c(cnn2CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001592294478 1167485114 /nfs/dbraw/zinc/48/51/14/1167485114.db2.gz FMTNVQWOOSZSNM-UHFFFAOYSA-N -1 1 324.308 0.282 20 0 DCADMM Cc1cnc2c(cnn2CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001592294478 1167485118 /nfs/dbraw/zinc/48/51/18/1167485118.db2.gz FMTNVQWOOSZSNM-UHFFFAOYSA-N -1 1 324.308 0.282 20 0 DCADMM Cc1ccsc1CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592283390 1167485456 /nfs/dbraw/zinc/48/54/56/1167485456.db2.gz BKWLAHSJJUNRFE-QMMMGPOBSA-N -1 1 318.366 0.706 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2CCn3ccnc3C2)c1-c1nn[n-]n1 ZINC001592327261 1167488992 /nfs/dbraw/zinc/48/89/92/1167488992.db2.gz AXUYFQUUFDUYAZ-QMMMGPOBSA-N -1 1 313.325 0.296 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC001592332552 1167490314 /nfs/dbraw/zinc/49/03/14/1167490314.db2.gz JHNQNVPDNHEXHI-UHFFFAOYSA-N -1 1 313.277 0.879 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cn(C)nc2C(F)F)c1-c1nn[n-]n1 ZINC001592330779 1167490969 /nfs/dbraw/zinc/49/09/69/1167490969.db2.gz LRNYCEGWDDFBKP-UHFFFAOYSA-N -1 1 323.267 0.822 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@]3(CCSC3)C2)n1 ZINC001592341085 1167495030 /nfs/dbraw/zinc/49/50/30/1167495030.db2.gz LICSLDMNNUIDEC-CYBMUJFWSA-N -1 1 319.394 0.677 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@]3(CCSC3)C2)n1 ZINC001592341085 1167495033 /nfs/dbraw/zinc/49/50/33/1167495033.db2.gz LICSLDMNNUIDEC-CYBMUJFWSA-N -1 1 319.394 0.677 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@@]3(CCSC3)C2)n1 ZINC001592341087 1167496019 /nfs/dbraw/zinc/49/60/19/1167496019.db2.gz LICSLDMNNUIDEC-ZDUSSCGKSA-N -1 1 319.394 0.677 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@@]3(CCSC3)C2)n1 ZINC001592341087 1167496021 /nfs/dbraw/zinc/49/60/21/1167496021.db2.gz LICSLDMNNUIDEC-ZDUSSCGKSA-N -1 1 319.394 0.677 20 0 DCADMM Cc1nc(NCc2cnc3n2CCOC3)cc(-c2nnn[n-]2)n1 ZINC001592393986 1167512054 /nfs/dbraw/zinc/51/20/54/1167512054.db2.gz LZNVBZFZMYYBRI-UHFFFAOYSA-N -1 1 313.325 0.304 20 0 DCADMM Cc1nc(NCc2cnc3n2CCOC3)cc(-c2nn[n-]n2)n1 ZINC001592393986 1167512058 /nfs/dbraw/zinc/51/20/58/1167512058.db2.gz LZNVBZFZMYYBRI-UHFFFAOYSA-N -1 1 313.325 0.304 20 0 DCADMM Cc1nc2ccnn2cc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592405398 1167514221 /nfs/dbraw/zinc/51/42/21/1167514221.db2.gz UJPADDDGDYULEN-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1nc2ccnn2cc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592405398 1167514226 /nfs/dbraw/zinc/51/42/26/1167514226.db2.gz UJPADDDGDYULEN-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cc(Cl)n(C)n2)c1-c1nnn[n-]1 ZINC001592432721 1167519445 /nfs/dbraw/zinc/51/94/45/1167519445.db2.gz HOVPNHMKOXRLCW-UHFFFAOYSA-N -1 1 321.732 0.548 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cc(Cl)n(C)n2)c1-c1nn[n-]n1 ZINC001592432721 1167519447 /nfs/dbraw/zinc/51/94/47/1167519447.db2.gz HOVPNHMKOXRLCW-UHFFFAOYSA-N -1 1 321.732 0.548 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ccn(C(C)C)n2)c1-c1nnn[n-]1 ZINC001592433186 1167519520 /nfs/dbraw/zinc/51/95/20/1167519520.db2.gz VRCFFZIAKWHJHX-UHFFFAOYSA-N -1 1 315.341 0.938 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ccn(C(C)C)n2)c1-c1nn[n-]n1 ZINC001592433186 1167519524 /nfs/dbraw/zinc/51/95/24/1167519524.db2.gz VRCFFZIAKWHJHX-UHFFFAOYSA-N -1 1 315.341 0.938 20 0 DCADMM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001592430604 1167519574 /nfs/dbraw/zinc/51/95/74/1167519574.db2.gz QIZIYSUDFGYRGB-UHFFFAOYSA-N -1 1 323.338 0.611 20 0 DCADMM Cc1nsc(NC(=O)N2CCC[C@H](O)C2)c1-c1nnn[n-]1 ZINC001592480362 1167533611 /nfs/dbraw/zinc/53/36/11/1167533611.db2.gz LGBHWMROVCWDOU-ZETCQYMHSA-N -1 1 309.355 0.620 20 0 DCADMM Cc1nsc(NC(=O)N2CCC[C@H](O)C2)c1-c1nn[n-]n1 ZINC001592480362 1167533616 /nfs/dbraw/zinc/53/36/16/1167533616.db2.gz LGBHWMROVCWDOU-ZETCQYMHSA-N -1 1 309.355 0.620 20 0 DCADMM Cc1nsc(N2CCCn3nncc3C2)c1-c1nn[n-]n1 ZINC001592473573 1167533800 /nfs/dbraw/zinc/53/38/00/1167533800.db2.gz KWPVFETTYPGOGH-UHFFFAOYSA-N -1 1 303.355 0.633 20 0 DCADMM Cc1nsc(N2CCc3ncncc3C2)c1-c1nn[n-]n1 ZINC001592476272 1167534637 /nfs/dbraw/zinc/53/46/37/1167534637.db2.gz UBBTULCTIATSIT-UHFFFAOYSA-N -1 1 300.351 0.984 20 0 DCADMM Cc1nsc(NC(=O)NC[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC001592483333 1167536665 /nfs/dbraw/zinc/53/66/65/1167536665.db2.gz JJDOSAIAZUKBKO-ZETCQYMHSA-N -1 1 309.355 0.932 20 0 DCADMM Cc1nsc(NC(=O)NC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001592483333 1167536674 /nfs/dbraw/zinc/53/66/74/1167536674.db2.gz JJDOSAIAZUKBKO-ZETCQYMHSA-N -1 1 309.355 0.932 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(CC(N)=O)C1CCCC1 ZINC001592494796 1167537944 /nfs/dbraw/zinc/53/79/44/1167537944.db2.gz DARYXAVZRRGBMY-UHFFFAOYSA-N -1 1 318.337 0.638 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(CC(N)=O)C1CCCC1 ZINC001592494796 1167537947 /nfs/dbraw/zinc/53/79/47/1167537947.db2.gz DARYXAVZRRGBMY-UHFFFAOYSA-N -1 1 318.337 0.638 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@]1(O)CCOC1 ZINC001592502615 1167540890 /nfs/dbraw/zinc/54/08/90/1167540890.db2.gz OBKVIVWWTYNSKW-ZDUSSCGKSA-N -1 1 307.310 0.039 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@]1(O)CCOC1 ZINC001592502615 1167540894 /nfs/dbraw/zinc/54/08/94/1167540894.db2.gz OBKVIVWWTYNSKW-ZDUSSCGKSA-N -1 1 307.310 0.039 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC(=O)NC1CCCC1 ZINC001592502662 1167540905 /nfs/dbraw/zinc/54/09/05/1167540905.db2.gz QERYVYDYXFVPGG-UHFFFAOYSA-N -1 1 318.337 0.557 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC(=O)NC1CCCC1 ZINC001592502662 1167540909 /nfs/dbraw/zinc/54/09/09/1167540909.db2.gz QERYVYDYXFVPGG-UHFFFAOYSA-N -1 1 318.337 0.557 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1nnc(C(C)C)[nH]1 ZINC001592500788 1167541164 /nfs/dbraw/zinc/54/11/64/1167541164.db2.gz ICFTVSBJVIHTNA-UHFFFAOYSA-N -1 1 316.325 0.940 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCNC(=O)C1CC1 ZINC001592500242 1167541371 /nfs/dbraw/zinc/54/13/71/1167541371.db2.gz CAEZUXNJJQUUFR-UHFFFAOYSA-N -1 1 304.310 0.024 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCNC(=O)C1CC1 ZINC001592500242 1167541376 /nfs/dbraw/zinc/54/13/76/1167541376.db2.gz CAEZUXNJJQUUFR-UHFFFAOYSA-N -1 1 304.310 0.024 20 0 DCADMM Cc1onc(CC(=O)N2CCn3cccc3C2)c1-c1nnn[n-]1 ZINC001592515913 1167546541 /nfs/dbraw/zinc/54/65/41/1167546541.db2.gz RIIHPBFCNHTXJA-UHFFFAOYSA-N -1 1 313.321 0.550 20 0 DCADMM Cc1onc(CC(=O)N2CCn3cccc3C2)c1-c1nn[n-]n1 ZINC001592515913 1167546547 /nfs/dbraw/zinc/54/65/47/1167546547.db2.gz RIIHPBFCNHTXJA-UHFFFAOYSA-N -1 1 313.321 0.550 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCS[C@H]2C)c1-c1nnn[n-]1 ZINC001592517758 1167547124 /nfs/dbraw/zinc/54/71/24/1167547124.db2.gz OZJQVPZWGZTGDA-JGVFFNPUSA-N -1 1 308.367 0.716 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCS[C@H]2C)c1-c1nn[n-]n1 ZINC001592517758 1167547131 /nfs/dbraw/zinc/54/71/31/1167547131.db2.gz OZJQVPZWGZTGDA-JGVFFNPUSA-N -1 1 308.367 0.716 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2C[C@@H](OC(C)C)C2)c1-c1nnn[n-]1 ZINC001592516569 1167547404 /nfs/dbraw/zinc/54/74/04/1167547404.db2.gz WQJYLEPZJCKTIG-AOOOYVTPSA-N -1 1 320.353 0.778 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2C[C@@H](OC(C)C)C2)c1-c1nn[n-]n1 ZINC001592516569 1167547412 /nfs/dbraw/zinc/54/74/12/1167547412.db2.gz WQJYLEPZJCKTIG-AOOOYVTPSA-N -1 1 320.353 0.778 20 0 DCADMM Cn1c(=O)[nH]c(NCCC[C@H]2C=CCC2)c(-c2nn[n-]n2)c1=O ZINC001592545691 1167550363 /nfs/dbraw/zinc/55/03/63/1167550363.db2.gz JHJVTNQGFGDFNO-VIFPVBQESA-N -1 1 317.353 0.824 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CCCC(C)(C)O2)c1=O ZINC001592558129 1167558521 /nfs/dbraw/zinc/55/85/21/1167558521.db2.gz PONXQUFGUKBJIU-VIFPVBQESA-N -1 1 320.353 0.075 20 0 DCADMM Cn1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)n1 ZINC001592580682 1167567599 /nfs/dbraw/zinc/56/75/99/1167567599.db2.gz YBTPLHAQLGHILR-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1ccc2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c21 ZINC001592581618 1167572160 /nfs/dbraw/zinc/57/21/60/1167572160.db2.gz JJFICZQLBNVVDZ-UHFFFAOYSA-N -1 1 323.320 0.589 20 0 DCADMM Cn1nc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)cc1C1CC1 ZINC001592594959 1167577235 /nfs/dbraw/zinc/57/72/35/1167577235.db2.gz COOGSROERNVSRI-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1nc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)cc1C1CC1 ZINC001592594959 1167577240 /nfs/dbraw/zinc/57/72/40/1167577240.db2.gz COOGSROERNVSRI-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1nncc1Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001592611588 1167583295 /nfs/dbraw/zinc/58/32/95/1167583295.db2.gz LFFZPJYDGNAGDF-UHFFFAOYSA-N -1 1 308.309 0.302 20 0 DCADMM Fc1ccc(-c2noc(Cn3cnc(-c4nn[n-]n4)n3)n2)cc1 ZINC001592645658 1167588498 /nfs/dbraw/zinc/58/84/98/1167588498.db2.gz BSSLDJVODHEQNW-UHFFFAOYSA-N -1 1 313.256 0.696 20 0 DCADMM Fc1ccc(OCCNc2ccnc(-c3nn[n-]n3)n2)cc1F ZINC001592652193 1167590356 /nfs/dbraw/zinc/59/03/56/1167590356.db2.gz WMTDTLWHYWCYLT-UHFFFAOYSA-N -1 1 319.275 0.848 20 0 DCADMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592722144 1167614708 /nfs/dbraw/zinc/61/47/08/1167614708.db2.gz WRWLEJXMNHASTI-DTWKUNHWSA-N -1 1 315.337 0.036 20 0 DCADMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592722144 1167614710 /nfs/dbraw/zinc/61/47/10/1167614710.db2.gz WRWLEJXMNHASTI-DTWKUNHWSA-N -1 1 315.337 0.036 20 0 DCADMM NC(=O)c1ccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)cc1 ZINC001592735736 1167623753 /nfs/dbraw/zinc/62/37/53/1167623753.db2.gz FZTFDICSLLJUFT-UHFFFAOYSA-N -1 1 308.305 0.463 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc2oc(=O)[nH]c21 ZINC001592752810 1167631105 /nfs/dbraw/zinc/63/11/05/1167631105.db2.gz FWKVBTMLCBECFS-UHFFFAOYSA-N -1 1 312.249 0.181 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)COc1ccccc1F ZINC001592753453 1167631138 /nfs/dbraw/zinc/63/11/38/1167631138.db2.gz RRBHMCZWGUYXSP-UHFFFAOYSA-N -1 1 303.257 0.504 20 0 DCADMM Nc1nccc2c1CN(C(=O)c1ccc(-c3nn[n-]n3)o1)CC2 ZINC001592762833 1167637255 /nfs/dbraw/zinc/63/72/55/1167637255.db2.gz PZHLDXNINPCXAF-UHFFFAOYSA-N -1 1 311.305 0.635 20 0 DCADMM O=C(CCNc1ccnc(-c2nnn[n-]2)c1)NCc1ccccn1 ZINC001592844827 1167649303 /nfs/dbraw/zinc/64/93/03/1167649303.db2.gz LKBPWBXMRQEDMJ-UHFFFAOYSA-N -1 1 324.348 0.775 20 0 DCADMM O=C(CCNc1ccnc(-c2nn[n-]n2)c1)NCc1ccccn1 ZINC001592844827 1167649307 /nfs/dbraw/zinc/64/93/07/1167649307.db2.gz LKBPWBXMRQEDMJ-UHFFFAOYSA-N -1 1 324.348 0.775 20 0 DCADMM O=C(CNc1cnc(-c2nnn[n-]2)cn1)OC1CCCCC1 ZINC001592878557 1167655503 /nfs/dbraw/zinc/65/55/03/1167655503.db2.gz LBBFQQSNMPDZQH-UHFFFAOYSA-N -1 1 303.326 0.945 20 0 DCADMM O=C(CNc1cnc(-c2nn[n-]n2)cn1)OC1CCCCC1 ZINC001592878557 1167655506 /nfs/dbraw/zinc/65/55/06/1167655506.db2.gz LBBFQQSNMPDZQH-UHFFFAOYSA-N -1 1 303.326 0.945 20 0 DCADMM O=C(COC(=O)Cc1ccc(-c2nnn[n-]2)nc1)CC1CC1 ZINC001592880681 1167656025 /nfs/dbraw/zinc/65/60/25/1167656025.db2.gz JPMQCCYKDTVDRE-UHFFFAOYSA-N -1 1 301.306 0.717 20 0 DCADMM O=C(COC(=O)Cc1ccc(-c2nn[n-]n2)nc1)CC1CC1 ZINC001592880681 1167656031 /nfs/dbraw/zinc/65/60/31/1167656031.db2.gz JPMQCCYKDTVDRE-UHFFFAOYSA-N -1 1 301.306 0.717 20 0 DCADMM O=C(COC1CCCC1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592884512 1167657230 /nfs/dbraw/zinc/65/72/30/1167657230.db2.gz BUCKLXKDSXJFHJ-UHFFFAOYSA-N -1 1 308.367 0.899 20 0 DCADMM O=C(COC1CCCC1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592884512 1167657232 /nfs/dbraw/zinc/65/72/32/1167657232.db2.gz BUCKLXKDSXJFHJ-UHFFFAOYSA-N -1 1 308.367 0.899 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@@]1(F)CCOC1 ZINC001592914580 1167663478 /nfs/dbraw/zinc/66/34/78/1167663478.db2.gz FGZUTRZZRDOQNP-CYBMUJFWSA-N -1 1 307.285 0.476 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@@]1(F)CCOC1 ZINC001592914580 1167663481 /nfs/dbraw/zinc/66/34/81/1167663481.db2.gz FGZUTRZZRDOQNP-CYBMUJFWSA-N -1 1 307.285 0.476 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CCCn2nccc21 ZINC001592915613 1167664552 /nfs/dbraw/zinc/66/45/52/1167664552.db2.gz RMTQLEYCDCRSON-NSHDSACASA-N -1 1 324.348 0.652 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCCn2nccc21 ZINC001592915613 1167664556 /nfs/dbraw/zinc/66/45/56/1167664556.db2.gz RMTQLEYCDCRSON-NSHDSACASA-N -1 1 324.348 0.652 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCCn2nccc21 ZINC001592915735 1167664758 /nfs/dbraw/zinc/66/47/58/1167664758.db2.gz SBNPXNCWONRVAY-UHFFFAOYSA-N -1 1 310.321 0.438 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCCn2nccc21 ZINC001592915735 1167664763 /nfs/dbraw/zinc/66/47/63/1167664763.db2.gz SBNPXNCWONRVAY-UHFFFAOYSA-N -1 1 310.321 0.438 20 0 DCADMM O=C(Cc1ccc2c(c1)COC2)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592919863 1167665146 /nfs/dbraw/zinc/66/51/46/1167665146.db2.gz FSTBPEKFWMTMRF-UHFFFAOYSA-N -1 1 311.305 0.801 20 0 DCADMM O=C(Cc1ccc2c(c1)COC2)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592919863 1167665152 /nfs/dbraw/zinc/66/51/52/1167665152.db2.gz FSTBPEKFWMTMRF-UHFFFAOYSA-N -1 1 311.305 0.801 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1C[C@@H]2CSC[C@@H]2C1 ZINC001592915549 1167666112 /nfs/dbraw/zinc/66/61/12/1167666112.db2.gz PQTNTCLTRDINKT-PHIMTYICSA-N -1 1 316.390 0.626 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1C[C@@H]2CSC[C@@H]2C1 ZINC001592915549 1167666115 /nfs/dbraw/zinc/66/61/15/1167666115.db2.gz PQTNTCLTRDINKT-PHIMTYICSA-N -1 1 316.390 0.626 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CCCOCC1 ZINC001592914682 1167666237 /nfs/dbraw/zinc/66/62/37/1167666237.db2.gz FPGZVXRVDOVDPK-NSHDSACASA-N -1 1 302.338 0.490 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCCOCC1 ZINC001592914682 1167666238 /nfs/dbraw/zinc/66/62/38/1167666238.db2.gz FPGZVXRVDOVDPK-NSHDSACASA-N -1 1 302.338 0.490 20 0 DCADMM O=C(Cc1cccnc1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592925760 1167667719 /nfs/dbraw/zinc/66/77/19/1167667719.db2.gz XXHPUPZBGCNHOG-UHFFFAOYSA-N -1 1 301.335 0.577 20 0 DCADMM O=C(Cc1cccnc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592925760 1167667721 /nfs/dbraw/zinc/66/77/21/1167667721.db2.gz XXHPUPZBGCNHOG-UHFFFAOYSA-N -1 1 301.335 0.577 20 0 DCADMM O=C(Cn1ccn2ncc(-c3nn[n-]n3)c12)NC1CCCC1 ZINC001592938123 1167668082 /nfs/dbraw/zinc/66/80/82/1167668082.db2.gz BHBPRJLERHVFJI-UHFFFAOYSA-N -1 1 300.326 0.375 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CC1CC1)CC1CCC1 ZINC001592940374 1167668974 /nfs/dbraw/zinc/66/89/74/1167668974.db2.gz BXIBEPHCVFBOQF-UHFFFAOYSA-N -1 1 316.369 0.497 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@@H](C2CCC2)C1 ZINC001592940595 1167669523 /nfs/dbraw/zinc/66/95/23/1167669523.db2.gz PFZBZNXQZLBBKV-SNVBAGLBSA-N -1 1 302.342 0.107 20 0 DCADMM O=C(N[C@H](CO)Cc1cncs1)c1coc(-c2nnn[n-]2)c1 ZINC001592954051 1167673802 /nfs/dbraw/zinc/67/38/02/1167673802.db2.gz DNCKODXXKYDPDZ-QMMMGPOBSA-N -1 1 320.334 0.250 20 0 DCADMM O=C(N[C@H](CO)Cc1cncs1)c1coc(-c2nn[n-]n2)c1 ZINC001592954051 1167673806 /nfs/dbraw/zinc/67/38/06/1167673806.db2.gz DNCKODXXKYDPDZ-QMMMGPOBSA-N -1 1 320.334 0.250 20 0 DCADMM O=C(N[C@H](CO)c1ccsc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592954977 1167673922 /nfs/dbraw/zinc/67/39/22/1167673922.db2.gz XKRYMCIEGWQQPG-LLVKDONJSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@H](CO)c1ccsc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592954977 1167673926 /nfs/dbraw/zinc/67/39/26/1167673926.db2.gz XKRYMCIEGWQQPG-LLVKDONJSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@@H]1CCCCNC1=O)c1csc(-c2nn[n-]n2)c1 ZINC001592977579 1167679931 /nfs/dbraw/zinc/67/99/31/1167679931.db2.gz TZMQEKSFZZBXND-MRVPVSSYSA-N -1 1 306.351 0.327 20 0 DCADMM O=C(NC1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001592990440 1167681164 /nfs/dbraw/zinc/68/11/64/1167681164.db2.gz REBCNVFLKJZYBC-UHFFFAOYSA-N -1 1 313.365 0.757 20 0 DCADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001592990440 1167681169 /nfs/dbraw/zinc/68/11/69/1167681169.db2.gz REBCNVFLKJZYBC-UHFFFAOYSA-N -1 1 313.365 0.757 20 0 DCADMM O=C(NC[C@H](CO)c1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593008477 1167686771 /nfs/dbraw/zinc/68/67/71/1167686771.db2.gz KABFMFBDEXYTIU-LLVKDONJSA-N -1 1 313.317 0.966 20 0 DCADMM O=C(NC[C@H](CO)c1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593008477 1167686774 /nfs/dbraw/zinc/68/67/74/1167686774.db2.gz KABFMFBDEXYTIU-LLVKDONJSA-N -1 1 313.317 0.966 20 0 DCADMM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593033013 1167690022 /nfs/dbraw/zinc/69/00/22/1167690022.db2.gz FGFPLDPKDVQZJL-MWLCHTKSSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593033013 1167690030 /nfs/dbraw/zinc/69/00/30/1167690030.db2.gz FGFPLDPKDVQZJL-MWLCHTKSSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NCC1CCOCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593043970 1167693472 /nfs/dbraw/zinc/69/34/72/1167693472.db2.gz CJSIKXSHXFUYLV-UHFFFAOYSA-N -1 1 303.326 0.810 20 0 DCADMM O=C(NCC1CCOCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593043970 1167693488 /nfs/dbraw/zinc/69/34/88/1167693488.db2.gz CJSIKXSHXFUYLV-UHFFFAOYSA-N -1 1 303.326 0.810 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)C1(C2CC2)CC1 ZINC001593089196 1167704356 /nfs/dbraw/zinc/70/43/56/1167704356.db2.gz BXYUQEWGFCCBLH-UHFFFAOYSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)C1(C2CC2)CC1 ZINC001593089196 1167704361 /nfs/dbraw/zinc/70/43/61/1167704361.db2.gz BXYUQEWGFCCBLH-UHFFFAOYSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593096031 1167704918 /nfs/dbraw/zinc/70/49/18/1167704918.db2.gz SEDNGUXFWVYRTP-MYJAWHEDSA-N -1 1 314.353 0.231 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593096031 1167704928 /nfs/dbraw/zinc/70/49/28/1167704928.db2.gz SEDNGUXFWVYRTP-MYJAWHEDSA-N -1 1 314.353 0.231 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)[C@H]1CCC1(F)F ZINC001593091323 1167706894 /nfs/dbraw/zinc/70/68/94/1167706894.db2.gz CPHLFQRSSWGXDH-SSDOTTSWSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)[C@H]1CCC1(F)F ZINC001593091323 1167706898 /nfs/dbraw/zinc/70/68/98/1167706898.db2.gz CPHLFQRSSWGXDH-SSDOTTSWSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC12CCCC2 ZINC001593110518 1167712405 /nfs/dbraw/zinc/71/24/05/1167712405.db2.gz BJYLRHRNBOYGSI-SECBINFHSA-N -1 1 317.357 0.090 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccoc1C1CC1 ZINC001593111893 1167712489 /nfs/dbraw/zinc/71/24/89/1167712489.db2.gz BWANGSUORCZRPQ-UHFFFAOYSA-N -1 1 314.309 0.359 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1sccc1F ZINC001593111948 1167712640 /nfs/dbraw/zinc/71/26/40/1167712640.db2.gz DVXNRFUCQKXTNT-UHFFFAOYSA-N -1 1 308.302 0.089 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1CCC[C@@H](CO)C1 ZINC001593244103 1167744090 /nfs/dbraw/zinc/74/40/90/1167744090.db2.gz LBPSOVGNRCXRGE-ZJUUUORDSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1CCC[C@@H](CO)C1 ZINC001593244103 1167744097 /nfs/dbraw/zinc/74/40/97/1167744097.db2.gz LBPSOVGNRCXRGE-ZJUUUORDSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H](CCO)C1CC1 ZINC001593256357 1167745650 /nfs/dbraw/zinc/74/56/50/1167745650.db2.gz QHXRSSQIKXRRTA-JTQLQIEISA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H](CCO)C1CC1 ZINC001593256357 1167745659 /nfs/dbraw/zinc/74/56/59/1167745659.db2.gz QHXRSSQIKXRRTA-JTQLQIEISA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC(O)(C2CC2)C1 ZINC001593254409 1167746566 /nfs/dbraw/zinc/74/65/66/1167746566.db2.gz WTBNBPYMNKAOCA-UHFFFAOYSA-N -1 1 301.310 0.250 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC(O)(C2CC2)C1 ZINC001593254409 1167746575 /nfs/dbraw/zinc/74/65/75/1167746575.db2.gz WTBNBPYMNKAOCA-UHFFFAOYSA-N -1 1 301.310 0.250 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1nc2c(s1)CCC2 ZINC001593260548 1167747189 /nfs/dbraw/zinc/74/71/89/1167747189.db2.gz NSQAYLQUWFOHTE-UHFFFAOYSA-N -1 1 302.323 0.787 20 0 DCADMM O=C(Nc1nc2ccccn2n1)c1cccc(-c2nnn[n-]2)n1 ZINC001593266426 1167748521 /nfs/dbraw/zinc/74/85/21/1167748521.db2.gz MTSKNTYGBBWRIL-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1nc2ccccn2n1)c1cccc(-c2nn[n-]n2)n1 ZINC001593266426 1167748528 /nfs/dbraw/zinc/74/85/28/1167748528.db2.gz MTSKNTYGBBWRIL-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCOC1 ZINC001593280041 1167756083 /nfs/dbraw/zinc/75/60/83/1167756083.db2.gz BTAUPVPLYXIQOW-VIFPVBQESA-N -1 1 303.278 0.024 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCOC1 ZINC001593280041 1167756091 /nfs/dbraw/zinc/75/60/91/1167756091.db2.gz BTAUPVPLYXIQOW-VIFPVBQESA-N -1 1 303.278 0.024 20 0 DCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cn(C2CC2)nn1 ZINC001593302172 1167767299 /nfs/dbraw/zinc/76/72/99/1167767299.db2.gz SKVBHDGHXJGULD-UHFFFAOYSA-N -1 1 312.293 0.545 20 0 DCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cn(C2CC2)nn1 ZINC001593302172 1167767306 /nfs/dbraw/zinc/76/73/06/1167767306.db2.gz SKVBHDGHXJGULD-UHFFFAOYSA-N -1 1 312.293 0.545 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001593336784 1167779919 /nfs/dbraw/zinc/77/99/19/1167779919.db2.gz BBMQUUDHUKPXDA-DGCLKSJQSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001593336784 1167779924 /nfs/dbraw/zinc/77/99/24/1167779924.db2.gz BBMQUUDHUKPXDA-DGCLKSJQSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H](c2ncon2)C1 ZINC001593341857 1167782696 /nfs/dbraw/zinc/78/26/96/1167782696.db2.gz ZERAMGZRNLXIBC-SSDOTTSWSA-N -1 1 301.266 0.472 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H](c2ncon2)C1 ZINC001593341857 1167782699 /nfs/dbraw/zinc/78/26/99/1167782699.db2.gz ZERAMGZRNLXIBC-SSDOTTSWSA-N -1 1 301.266 0.472 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001593348848 1167785456 /nfs/dbraw/zinc/78/54/56/1167785456.db2.gz SAPLYQBAYZSYQC-SKDRFNHKSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001593348848 1167785463 /nfs/dbraw/zinc/78/54/63/1167785463.db2.gz SAPLYQBAYZSYQC-SKDRFNHKSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N(CCOCCO)C1CCC1 ZINC001593367539 1167789190 /nfs/dbraw/zinc/78/91/90/1167789190.db2.gz LUHRDEJFIWUXAA-UHFFFAOYSA-N -1 1 321.337 0.463 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N(CCOCCO)C1CCC1 ZINC001593367539 1167789198 /nfs/dbraw/zinc/78/91/98/1167789198.db2.gz LUHRDEJFIWUXAA-UHFFFAOYSA-N -1 1 321.337 0.463 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001593391318 1167801683 /nfs/dbraw/zinc/80/16/83/1167801683.db2.gz URYSZPPJVBXLQW-PDFZIDOMSA-N -1 1 304.335 0.165 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001593391318 1167801695 /nfs/dbraw/zinc/80/16/95/1167801695.db2.gz URYSZPPJVBXLQW-PDFZIDOMSA-N -1 1 304.335 0.165 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(=O)N2CCC[C@@H]21 ZINC001593394992 1167804784 /nfs/dbraw/zinc/80/47/84/1167804784.db2.gz JICKETCNNCISMV-JTQLQIEISA-N -1 1 302.294 0.254 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(=O)N2CCC[C@@H]21 ZINC001593394992 1167804795 /nfs/dbraw/zinc/80/47/95/1167804795.db2.gz JICKETCNNCISMV-JTQLQIEISA-N -1 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NVEZVOZURZBLKZ-RFZPGFLSSA-N -1 1 304.738 0.886 20 0 DCADMM OC[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCc2ccccc21 ZINC001593524667 1167900277 /nfs/dbraw/zinc/90/02/77/1167900277.db2.gz XTSOSLDGRHSHGE-MRXNPFEDSA-N -1 1 323.360 0.945 20 0 DCADMM OC[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCc2ccccc21 ZINC001593524667 1167900285 /nfs/dbraw/zinc/90/02/85/1167900285.db2.gz XTSOSLDGRHSHGE-MRXNPFEDSA-N -1 1 323.360 0.945 20 0 DCADMM OCC[C@@H](NCc1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001593528712 1167904323 /nfs/dbraw/zinc/90/43/23/1167904323.db2.gz KMTROIIMKGDKGY-SECBINFHSA-N -1 1 302.260 0.665 20 0 DCADMM OCC[C@@H](NCc1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001593528712 1167904332 /nfs/dbraw/zinc/90/43/32/1167904332.db2.gz KMTROIIMKGDKGY-SECBINFHSA-N -1 1 302.260 0.665 20 0 DCADMM OCCc1cnc(SCc2nc(-c3nnn[n-]3)cs2)nc1 ZINC001593531173 1167906857 /nfs/dbraw/zinc/90/68/57/1167906857.db2.gz FKMNWRPCFHCQDF-UHFFFAOYSA-N -1 1 321.391 0.940 20 0 DCADMM OCCc1cnc(SCc2nc(-c3nn[n-]n3)cs2)nc1 ZINC001593531173 1167906861 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c1nc(-c2nnn[n-]2)cc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1 ZINC001593590002 1167952271 /nfs/dbraw/zinc/95/22/71/1167952271.db2.gz BKXAKQMPOZNGQV-QWRGUYRKSA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1 ZINC001593590002 1167952278 /nfs/dbraw/zinc/95/22/78/1167952278.db2.gz BKXAKQMPOZNGQV-QWRGUYRKSA-N -1 1 303.326 0.041 20 0 DCADMM c1ncn(-c2ccc(CNc3cc(-c4nnn[n-]4)ncn3)cc2)n1 ZINC001593590696 1167954257 /nfs/dbraw/zinc/95/42/57/1167954257.db2.gz CFRFWVPDIMPTRL-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1ncn(-c2ccc(CNc3cc(-c4nn[n-]n4)ncn3)cc2)n1 ZINC001593590696 1167954267 /nfs/dbraw/zinc/95/42/67/1167954267.db2.gz CFRFWVPDIMPTRL-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCO[C@@]3(CCCOC3)C2)n1 ZINC001593590202 1167954895 /nfs/dbraw/zinc/95/48/95/1167954895.db2.gz KELFETZXJPVSRS-ZDUSSCGKSA-N -1 1 303.326 0.043 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCO[C@@]3(CCCOC3)C2)n1 ZINC001593590202 1167954902 /nfs/dbraw/zinc/95/49/02/1167954902.db2.gz KELFETZXJPVSRS-ZDUSSCGKSA-N -1 1 303.326 0.043 20 0 DCADMM c1ncc(N2CCOC[C@H](C3CCC3)C2)nc1-c1nnn[n-]1 ZINC001593594011 1167956790 /nfs/dbraw/zinc/95/67/90/1167956790.db2.gz YFZAGTDOCJTTTJ-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1ncc(N2CCOC[C@H](C3CCC3)C2)nc1-c1nn[n-]n1 ZINC001593594011 1167956791 /nfs/dbraw/zinc/95/67/91/1167956791.db2.gz YFZAGTDOCJTTTJ-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM Cc1cc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n[nH]1 ZINC001600080781 1168113969 /nfs/dbraw/zinc/11/39/69/1168113969.db2.gz USRAOAMYLDLFQE-MNOVXSKESA-N -1 1 320.349 0.160 20 0 DCADMM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)c1 ZINC001600109851 1168122100 /nfs/dbraw/zinc/12/21/00/1168122100.db2.gz KGCMICYVWCKHGZ-SECBINFHSA-N -1 1 301.306 0.836 20 0 DCADMM Cc1cc(C(=O)[O-])nc(N2CCN(CC(C)(C)O)[C@H](C)C2)n1 ZINC001600126226 1168124910 /nfs/dbraw/zinc/12/49/10/1168124910.db2.gz NGQLKGFGZPSNGE-LLVKDONJSA-N -1 1 308.382 0.765 20 0 DCADMM Cc1cc(NC(=O)[C@H](C)N[C@H](C[C@H]2CCCO2)C(=O)[O-])on1 ZINC001600249472 1168150329 /nfs/dbraw/zinc/15/03/29/1168150329.db2.gz HCXMSKWZXCQATD-HBNTYKKESA-N -1 1 311.338 0.922 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1n[nH]c(CO)n1 ZINC001600359734 1168174209 /nfs/dbraw/zinc/17/42/09/1168174209.db2.gz ZESCMJNFQINFSB-UHFFFAOYSA-N -1 1 305.294 0.625 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1nnc(CO)[nH]1 ZINC001600359734 1168174212 /nfs/dbraw/zinc/17/42/12/1168174212.db2.gz ZESCMJNFQINFSB-UHFFFAOYSA-N -1 1 305.294 0.625 20 0 DCADMM Cc1ccc(CNC(=O)[C@H](C)N2CCN(CC(=O)[O-])CC2)cc1 ZINC001600416137 1168180021 /nfs/dbraw/zinc/18/00/21/1168180021.db2.gz RVSBIEUVCUCQAH-AWEZNQCLSA-N -1 1 319.405 0.702 20 0 DCADMM Cc1ccc2ncc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n2c1 ZINC001600504293 1168193858 /nfs/dbraw/zinc/19/38/58/1168193858.db2.gz ZYYOWTHWELSRPO-QWRGUYRKSA-N -1 1 304.350 0.710 20 0 DCADMM Cc1cccc2nc(CNC(=O)Cn3cc(C(=O)[O-])nn3)[nH]c21 ZINC001600554714 1168198767 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Cc1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)o1 ZINC001605850773 1170013539 /nfs/dbraw/zinc/01/35/39/1170013539.db2.gz JCBWQEUDFPTKQY-UHFFFAOYSA-N -1 1 302.294 0.923 20 0 DCADMM Cc1cnc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)o1 ZINC001605980781 1170040168 /nfs/dbraw/zinc/04/01/68/1170040168.db2.gz VKSSCXGCYMKZQT-UHFFFAOYSA-N -1 1 301.266 0.824 20 0 DCADMM Cc1conc1CS(=O)(=O)Oc1cccnc1-c1nn[n-]n1 ZINC001605999387 1170044608 /nfs/dbraw/zinc/04/46/08/1170044608.db2.gz QGAAINJWVYBMPE-UHFFFAOYSA-N -1 1 322.306 0.467 20 0 DCADMM CN(C)C(=O)N[C@H]1CCCN([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC001606002100 1170044986 /nfs/dbraw/zinc/04/49/86/1170044986.db2.gz QGQHKHLNDKZWDA-QWHCGFSZSA-N -1 1 306.366 0.943 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](C(=O)N(C)C)C2)n1 ZINC001606021321 1170052892 /nfs/dbraw/zinc/05/28/92/1170052892.db2.gz RLKILVORFHFRDZ-JTQLQIEISA-N -1 1 316.369 0.270 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](C(=O)N(C)C)C2)n1 ZINC001606021321 1170052898 /nfs/dbraw/zinc/05/28/98/1170052898.db2.gz RLKILVORFHFRDZ-JTQLQIEISA-N -1 1 316.369 0.270 20 0 DCADMM CN(C)S(=O)(=O)C1(CNCc2ccoc2C(=O)[O-])CC1 ZINC001606037084 1170061905 /nfs/dbraw/zinc/06/19/05/1170061905.db2.gz AJQITDHZAHBRDK-UHFFFAOYSA-N -1 1 302.352 0.491 20 0 DCADMM Cc1nc(CC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cs1 ZINC001606040537 1170062262 /nfs/dbraw/zinc/06/22/62/1170062262.db2.gz SFBYQLRUCQTUOF-UHFFFAOYSA-N -1 1 304.339 0.844 20 0 DCADMM Cc1nc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)cs1 ZINC001606042768 1170064573 /nfs/dbraw/zinc/06/45/73/1170064573.db2.gz BDYJSIQFYIICMG-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1nc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)cs1 ZINC001606042768 1170064580 /nfs/dbraw/zinc/06/45/80/1170064580.db2.gz BDYJSIQFYIICMG-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1nc(NC[C@](C)(O)C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001606066690 1170068998 /nfs/dbraw/zinc/06/89/98/1170068998.db2.gz HSEOYUYUGOGDJG-VIFPVBQESA-N -1 1 303.248 0.690 20 0 DCADMM Cc1nc(NC[C@](C)(O)C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001606066690 1170069003 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CS(=O)(=O)CS(=O)(=O)[N-]c1cnc(Cl)nc1Cl ZINC001260584055 947116035 /nfs/dbraw/zinc/11/60/35/947116035.db2.gz SCQUHTGSAIANOO-UHFFFAOYSA-N -1 1 320.179 0.527 20 0 DCADMM CS(=O)(=O)CS(=O)(=O)[N-]c1cc[nH]c(=O)c1Cl ZINC001260585327 947117833 /nfs/dbraw/zinc/11/78/33/947117833.db2.gz ZOGPANYIBCFQRV-UHFFFAOYSA-N -1 1 300.745 0.184 20 0 DCADMM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@@H](C)CC)c1cnccn1 ZINC001260749354 947145503 /nfs/dbraw/zinc/14/55/03/947145503.db2.gz LGDZAWQIHJDKMP-GXSJLCMTSA-N -1 1 301.368 0.799 20 0 DCADMM CN1CCN(c2cncc([N-]S(=O)(=O)c3cn[nH]c3)c2)CC1 ZINC001260955337 947155665 /nfs/dbraw/zinc/15/56/65/947155665.db2.gz YGYZHZMNJYGUBQ-UHFFFAOYSA-N -1 1 322.394 0.357 20 0 DCADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn[nH]c1)c1ccc(F)cc1 ZINC001260963178 947160257 /nfs/dbraw/zinc/16/02/57/947160257.db2.gz LXAPDEJRLYZZNU-LLVKDONJSA-N -1 1 313.310 0.741 20 0 DCADMM O=C(Cc1c[nH]c2cnccc12)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001261239281 947225514 /nfs/dbraw/zinc/22/55/14/947225514.db2.gz 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948265656 /nfs/dbraw/zinc/26/56/56/948265656.db2.gz QDMPWUOCBIDJNE-QMMMGPOBSA-N -1 1 321.312 0.540 20 0 DCADMM CC(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573441414 948269492 /nfs/dbraw/zinc/26/94/92/948269492.db2.gz ICLWDGGUTFRUDC-LLVKDONJSA-N -1 1 316.369 0.282 20 0 DCADMM CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573441637 948271818 /nfs/dbraw/zinc/27/18/18/948271818.db2.gz LBPCFYPJTJOAIO-VXGBXAGGSA-N -1 1 314.353 0.246 20 0 DCADMM CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573441637 948271825 /nfs/dbraw/zinc/27/18/25/948271825.db2.gz LBPCFYPJTJOAIO-VXGBXAGGSA-N -1 1 314.353 0.246 20 0 DCADMM CC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573442643 948297803 /nfs/dbraw/zinc/29/78/03/948297803.db2.gz JASOYIRESPXIQI-LLVKDONJSA-N -1 1 316.369 0.351 20 0 DCADMM CC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573442643 948297813 /nfs/dbraw/zinc/29/78/13/948297813.db2.gz JASOYIRESPXIQI-LLVKDONJSA-N -1 1 316.369 0.351 20 0 DCADMM C[C@H](C(=O)NCCC(C)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001573708650 948455561 /nfs/dbraw/zinc/45/55/61/948455561.db2.gz WPJYNLOBOVGXJP-ZCFIWIBFSA-N -1 1 300.273 0.181 20 0 DCADMM CCC(=O)N1CCN(CCN(C)C(=O)c2ncccc2[O-])CC1 ZINC001430067124 1013089861 /nfs/dbraw/zinc/08/98/61/1013089861.db2.gz UZCFDHDGEWAKKI-UHFFFAOYSA-N -1 1 320.393 0.413 20 0 DCADMM CC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001570918328 948571016 /nfs/dbraw/zinc/57/10/16/948571016.db2.gz CLUKAZZOEVFGRY-WDEREUQCSA-N -1 1 314.353 0.104 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001570918318 948571273 /nfs/dbraw/zinc/57/12/73/948571273.db2.gz CJRKBBNJYDJSRR-SCZZXKLOSA-N -1 1 314.353 0.150 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001570918318 948571278 /nfs/dbraw/zinc/57/12/78/948571278.db2.gz CJRKBBNJYDJSRR-SCZZXKLOSA-N -1 1 314.353 0.150 20 0 DCADMM O=C1NCC[C@H]2CCC[N@H+](Cc3cc(-c4nn[nH]n4)ccn3)[C@@H]12 ZINC001570920318 948596903 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CN(C)C(=O)CCCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001570920709 948605288 /nfs/dbraw/zinc/60/52/88/948605288.db2.gz AAJZEEVXXCTQFS-UHFFFAOYSA-N -1 1 317.353 0.136 20 0 DCADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001570920673 948605343 /nfs/dbraw/zinc/60/53/43/948605343.db2.gz YQEKFLMVNQVNID-SVRRBLITSA-N -1 1 313.325 0.618 20 0 DCADMM CC(C)(C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001570920976 948612327 /nfs/dbraw/zinc/61/23/27/948612327.db2.gz IUMXDKDJHQMTFF-KYZUINATSA-N -1 1 316.369 0.762 20 0 DCADMM CC(C)(C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001570920976 948612330 /nfs/dbraw/zinc/61/23/30/948612330.db2.gz IUMXDKDJHQMTFF-KYZUINATSA-N -1 1 316.369 0.762 20 0 DCADMM CC(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001570921181 948615844 /nfs/dbraw/zinc/61/58/44/948615844.db2.gz QKJKOADTCQOKGV-NSHDSACASA-N -1 1 316.369 0.282 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2CNC(C)=O)n1 ZINC001570921287 948617097 /nfs/dbraw/zinc/61/70/97/948617097.db2.gz TXVFRZWITVXIFN-JTQLQIEISA-N -1 1 316.369 0.324 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2CNC(C)=O)n1 ZINC001570921287 948617102 /nfs/dbraw/zinc/61/71/02/948617102.db2.gz TXVFRZWITVXIFN-JTQLQIEISA-N -1 1 316.369 0.324 20 0 DCADMM CNC(=O)c1cccc(CCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001570922325 948638805 /nfs/dbraw/zinc/63/88/05/948638805.db2.gz FUWBXIWQWBCNQM-UHFFFAOYSA-N -1 1 324.348 0.093 20 0 DCADMM CNC(=O)c1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001570922473 948641458 /nfs/dbraw/zinc/64/14/58/948641458.db2.gz HSTGAYGXJVSOOX-UHFFFAOYSA-N -1 1 324.304 0.269 20 0 DCADMM CNC(=O)c1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001570922473 948641463 /nfs/dbraw/zinc/64/14/63/948641463.db2.gz HSTGAYGXJVSOOX-UHFFFAOYSA-N -1 1 324.304 0.269 20 0 DCADMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)ncc1C(N)=O ZINC001570923432 948661599 /nfs/dbraw/zinc/66/15/99/948661599.db2.gz XYIWZLAYTDLEPA-UHFFFAOYSA-N -1 1 324.304 0.316 20 0 DCADMM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)ncc1C(N)=O ZINC001570923432 948661606 /nfs/dbraw/zinc/66/16/06/948661606.db2.gz XYIWZLAYTDLEPA-UHFFFAOYSA-N -1 1 324.304 0.316 20 0 DCADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cnnn3CC)nc2n1 ZINC001328634475 949000837 /nfs/dbraw/zinc/00/08/37/949000837.db2.gz RSBUDJYPXXCSDI-UHFFFAOYSA-N -1 1 316.325 0.234 20 0 DCADMM C[C@H](CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1)c1nn[nH]n1 ZINC001328662622 949014233 /nfs/dbraw/zinc/01/42/33/949014233.db2.gz ZFHYUOCVABWVSA-ZCFIWIBFSA-N -1 1 303.282 0.317 20 0 DCADMM C[C@H](CN(C)C(=O)C(C)(C)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694632 949087175 /nfs/dbraw/zinc/08/71/75/949087175.db2.gz TTZGSYCXOWWTIA-MRVPVSSYSA-N -1 1 322.348 0.664 20 0 DCADMM C[C@H](CN(C)C(=O)C(C)(C)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694632 949087198 /nfs/dbraw/zinc/08/71/98/949087198.db2.gz TTZGSYCXOWWTIA-MRVPVSSYSA-N -1 1 322.348 0.664 20 0 DCADMM C[C@@H](NC(=O)C(C)(C)F)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575251398 949137193 /nfs/dbraw/zinc/13/71/93/949137193.db2.gz 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DCADMM CC(C)Oc1ncccc1C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001591811101 976041823 /nfs/dbraw/zinc/04/18/23/976041823.db2.gz BPFVUILFGHJCIA-GFCCVEGCSA-N -1 1 321.377 0.957 20 0 DCADMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cncs1 ZINC001449283676 1014378990 /nfs/dbraw/zinc/37/89/90/1014378990.db2.gz CZKKMCNEDIQOFV-SECBINFHSA-N -1 1 324.410 0.901 20 0 DCADMM CN(C(=O)C(C)(C)N1C(=O)c2ccccc2C1=O)c1nn[n-]n1 ZINC001528749657 1014404496 /nfs/dbraw/zinc/40/44/96/1014404496.db2.gz QYOIWVFOPAOSMI-UHFFFAOYSA-N -1 1 314.305 0.237 20 0 DCADMM COCCNC(=O)c1cccc(NC(=O)c2cnncc2[O-])c1 ZINC001449360451 1014433689 /nfs/dbraw/zinc/43/36/89/1014433689.db2.gz VPKRGGPAGPEMGX-UHFFFAOYSA-N -1 1 316.317 0.811 20 0 DCADMM CN1C(=O)CS/C1=C\C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001528880214 1014447193 /nfs/dbraw/zinc/44/71/93/1014447193.db2.gz UMSKERCQOIKGSG-FVNYMESBSA-N -1 1 322.394 0.027 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)Nc2cnn(C)c2)CC1 ZINC001592418383 978022324 /nfs/dbraw/zinc/02/23/24/978022324.db2.gz 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314.382 0.821 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN1C[C@@H](C)[C@H](C(=O)OC)C1)C(=O)[O-] ZINC001594894321 982319727 /nfs/dbraw/zinc/31/97/27/982319727.db2.gz QCQYVRJZHZOEKG-SBFPOUOMSA-N -1 1 314.382 0.343 20 0 DCADMM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC001574392626 983235291 /nfs/dbraw/zinc/23/52/91/983235291.db2.gz BJHZUDRVJNHXQJ-DGAVXFQQSA-N -1 1 310.394 0.545 20 0 DCADMM O=C([O-])c1cc(CN2C[C@@]3(CO)CCCC[C@@]3(CO)C2)on1 ZINC001574408886 983237867 /nfs/dbraw/zinc/23/78/67/983237867.db2.gz RSLUYFJGIKIJMM-GASCZTMLSA-N -1 1 310.350 0.720 20 0 DCADMM CCCc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)[nH]n1 ZINC001596052527 983352617 /nfs/dbraw/zinc/35/26/17/983352617.db2.gz CVAPMNQRVLKOKG-LLVKDONJSA-N -1 1 308.382 0.983 20 0 DCADMM CCCC(=O)N1CC(CCO)(NC(=O)c2ncccc2[O-])C1 ZINC001450158978 1014951762 /nfs/dbraw/zinc/95/17/62/1014951762.db2.gz OXAQPGPZWISTBW-UHFFFAOYSA-N -1 1 307.350 0.281 20 0 DCADMM CCN(CC(=O)NC(C)C)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC001596202814 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C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000820379925 606596961 /nfs/dbraw/zinc/59/69/61/606596961.db2.gz IGQILVCEUXFPKJ-IONNQARKSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000820379925 606596962 /nfs/dbraw/zinc/59/69/62/606596962.db2.gz IGQILVCEUXFPKJ-IONNQARKSA-N -1 1 306.330 0.289 20 0 DCADMM CSCC[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821962648 606597126 /nfs/dbraw/zinc/59/71/26/606597126.db2.gz UPILQBDIHDCZAM-SSDOTTSWSA-N -1 1 310.387 0.863 20 0 DCADMM CSCC[C@@H](C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821962648 606597129 /nfs/dbraw/zinc/59/71/29/606597129.db2.gz UPILQBDIHDCZAM-SSDOTTSWSA-N -1 1 310.387 0.863 20 0 DCADMM Cn1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1=O ZINC000822688888 606653061 /nfs/dbraw/zinc/65/30/61/606653061.db2.gz BTOCNFOLISBNAG-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM Cn1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1=O ZINC000822688888 606653062 /nfs/dbraw/zinc/65/30/62/606653062.db2.gz BTOCNFOLISBNAG-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)nn1 ZINC000821573257 606733200 /nfs/dbraw/zinc/73/32/00/606733200.db2.gz HXKQYWIDNPDBNO-UHFFFAOYSA-N -1 1 316.712 0.982 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)nn1 ZINC000821573257 606733201 /nfs/dbraw/zinc/73/32/01/606733201.db2.gz HXKQYWIDNPDBNO-UHFFFAOYSA-N -1 1 316.712 0.982 20 0 DCADMM CC(C)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820047268 606742552 /nfs/dbraw/zinc/74/25/52/606742552.db2.gz WXWJJUKHCMWWEB-JTQLQIEISA-N -1 1 322.394 0.928 20 0 DCADMM CC(C)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820047268 606742553 /nfs/dbraw/zinc/74/25/53/606742553.db2.gz WXWJJUKHCMWWEB-JTQLQIEISA-N -1 1 322.394 0.928 20 0 DCADMM Cc1cc(=O)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c[nH]1 ZINC000822161464 606828888 /nfs/dbraw/zinc/82/88/88/606828888.db2.gz PQDSJMNPRVLRHP-UHFFFAOYSA-N -1 1 312.289 0.821 20 0 DCADMM CCc1noc(C)c1Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000821553831 606862544 /nfs/dbraw/zinc/86/25/44/606862544.db2.gz KRPLUVNTNYJCEV-UHFFFAOYSA-N -1 1 315.337 0.947 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCC(F)(F)C2)n1 ZINC000822614839 606955844 /nfs/dbraw/zinc/95/58/44/606955844.db2.gz UQNUWFOTGXQOCH-ZCFIWIBFSA-N -1 1 312.284 0.910 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCC(F)(F)C2)n1 ZINC000822614839 606955846 /nfs/dbraw/zinc/95/58/46/606955846.db2.gz UQNUWFOTGXQOCH-ZCFIWIBFSA-N -1 1 312.284 0.910 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCC(F)(F)C2)n1 ZINC000822614838 606955899 /nfs/dbraw/zinc/95/58/99/606955899.db2.gz UQNUWFOTGXQOCH-LURJTMIESA-N -1 1 312.284 0.910 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCC(F)(F)C2)n1 ZINC000822614838 606955901 /nfs/dbraw/zinc/95/59/01/606955901.db2.gz UQNUWFOTGXQOCH-LURJTMIESA-N -1 1 312.284 0.910 20 0 DCADMM O=C(CCCn1ccnc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822965069 607110132 /nfs/dbraw/zinc/11/01/32/607110132.db2.gz ZADXSYCOXAIYNM-UHFFFAOYSA-N -1 1 304.339 0.939 20 0 DCADMM CN(CCOC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821603955 607194979 /nfs/dbraw/zinc/19/49/79/607194979.db2.gz WUMDXUBOUDSXOO-UHFFFAOYSA-N -1 1 322.373 0.879 20 0 DCADMM CN(CCOC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821603955 607194980 /nfs/dbraw/zinc/19/49/80/607194980.db2.gz WUMDXUBOUDSXOO-UHFFFAOYSA-N -1 1 322.373 0.879 20 0 DCADMM C[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000820717510 607209050 /nfs/dbraw/zinc/20/90/50/607209050.db2.gz REJZBVPKCCHAPK-SNVBAGLBSA-N -1 1 324.348 0.999 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823127027 607220037 /nfs/dbraw/zinc/22/00/37/607220037.db2.gz QZKLZICINHMFBN-NWDGAFQWSA-N -1 1 324.348 0.206 20 0 DCADMM CS[C@H](CO)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821950419 607224820 /nfs/dbraw/zinc/22/48/20/607224820.db2.gz NDDPAGTYJGBYQS-IMTBSYHQSA-N -1 1 313.408 0.770 20 0 DCADMM CS[C@H](CO)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821950419 607224821 /nfs/dbraw/zinc/22/48/21/607224821.db2.gz NDDPAGTYJGBYQS-IMTBSYHQSA-N -1 1 313.408 0.770 20 0 DCADMM NC(=O)[C@@H]1Cc2ccccc2CN1c1cccc(-c2nnn[n-]2)n1 ZINC000826392904 607895822 /nfs/dbraw/zinc/89/58/22/607895822.db2.gz SHCCVYIMAXFNMQ-ZDUSSCGKSA-N -1 1 321.344 0.678 20 0 DCADMM NC(=O)[C@@H]1Cc2ccccc2CN1c1cccc(-c2nn[n-]n2)n1 ZINC000826392904 607895823 /nfs/dbraw/zinc/89/58/23/607895823.db2.gz SHCCVYIMAXFNMQ-ZDUSSCGKSA-N -1 1 321.344 0.678 20 0 DCADMM COCCOC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826160197 607899890 /nfs/dbraw/zinc/89/98/90/607899890.db2.gz IRDSADOQERVXEB-UHFFFAOYSA-N -1 1 304.354 0.894 20 0 DCADMM COCCOC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826160197 607899891 /nfs/dbraw/zinc/89/98/91/607899891.db2.gz IRDSADOQERVXEB-UHFFFAOYSA-N -1 1 304.354 0.894 20 0 DCADMM CC(C)N1C(=O)C[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1=O ZINC000824296214 607901357 /nfs/dbraw/zinc/90/13/57/607901357.db2.gz FIQUIPRHYPJEQL-VIFPVBQESA-N -1 1 301.310 0.210 20 0 DCADMM CC(C)N1C(=O)C[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1=O ZINC000824296214 607901358 /nfs/dbraw/zinc/90/13/58/607901358.db2.gz FIQUIPRHYPJEQL-VIFPVBQESA-N -1 1 301.310 0.210 20 0 DCADMM C[C@@](O)(CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000824670772 607917426 /nfs/dbraw/zinc/91/74/26/607917426.db2.gz VANIFEAPOQHDHZ-CQSZACIVSA-N -1 1 303.322 0.856 20 0 DCADMM C[C@@](O)(CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000824670772 607917427 /nfs/dbraw/zinc/91/74/27/607917427.db2.gz VANIFEAPOQHDHZ-CQSZACIVSA-N -1 1 303.322 0.856 20 0 DCADMM CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826068282 607919064 /nfs/dbraw/zinc/91/90/64/607919064.db2.gz QEINAGZIJNSQAB-QMMMGPOBSA-N -1 1 322.394 0.819 20 0 DCADMM CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826068282 607919065 /nfs/dbraw/zinc/91/90/65/607919065.db2.gz QEINAGZIJNSQAB-QMMMGPOBSA-N -1 1 322.394 0.819 20 0 DCADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC000826503016 607989272 /nfs/dbraw/zinc/98/92/72/607989272.db2.gz OMQMPLYQPZPMDF-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC000826503016 607989273 /nfs/dbraw/zinc/98/92/73/607989273.db2.gz OMQMPLYQPZPMDF-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc[nH]1 ZINC000824640595 608025635 /nfs/dbraw/zinc/02/56/35/608025635.db2.gz LUYYCXGBSYYMFJ-QMMMGPOBSA-N -1 1 319.350 0.629 20 0 DCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc[nH]1 ZINC000824640595 608025636 /nfs/dbraw/zinc/02/56/36/608025636.db2.gz LUYYCXGBSYYMFJ-QMMMGPOBSA-N -1 1 319.350 0.629 20 0 DCADMM CCOC(=O)C[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825499996 608027050 /nfs/dbraw/zinc/02/70/50/608027050.db2.gz ZWIYVUHVQOZXPN-VIFPVBQESA-N -1 1 318.337 0.581 20 0 DCADMM CCOC(=O)C[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825499996 608027051 /nfs/dbraw/zinc/02/70/51/608027051.db2.gz ZWIYVUHVQOZXPN-VIFPVBQESA-N -1 1 318.337 0.581 20 0 DCADMM NC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826391898 608099809 /nfs/dbraw/zinc/09/98/09/608099809.db2.gz GCRDMHWDFWKWFO-SCSAIBSYSA-N -1 1 314.762 0.224 20 0 DCADMM NC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826391898 608099810 /nfs/dbraw/zinc/09/98/10/608099810.db2.gz GCRDMHWDFWKWFO-SCSAIBSYSA-N -1 1 314.762 0.224 20 0 DCADMM C[C@]1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO[C@H]1C1CC1 ZINC000824833079 608140409 /nfs/dbraw/zinc/14/04/09/608140409.db2.gz XADCYOCCQZBEHG-WFASDCNBSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@]1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO[C@H]1C1CC1 ZINC000824833079 608140410 /nfs/dbraw/zinc/14/04/10/608140410.db2.gz XADCYOCCQZBEHG-WFASDCNBSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(N[C@@H](CO)CC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826426117 608182876 /nfs/dbraw/zinc/18/28/76/608182876.db2.gz FYFQCHSVSSKGCH-RXMQYKEDSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(N[C@@H](CO)CC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826426117 608182877 /nfs/dbraw/zinc/18/28/77/608182877.db2.gz FYFQCHSVSSKGCH-RXMQYKEDSA-N -1 1 321.284 0.971 20 0 DCADMM CC(C)(O)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824166900 608202254 /nfs/dbraw/zinc/20/22/54/608202254.db2.gz MAGGVJKROJGEBI-NSHDSACASA-N -1 1 302.338 0.637 20 0 DCADMM CC(C)(O)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824166900 608202256 /nfs/dbraw/zinc/20/22/56/608202256.db2.gz MAGGVJKROJGEBI-NSHDSACASA-N -1 1 302.338 0.637 20 0 DCADMM CCOC(=O)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825511681 608292978 /nfs/dbraw/zinc/29/29/78/608292978.db2.gz ADVKBFWWBRNMFK-UHFFFAOYSA-N -1 1 302.747 0.976 20 0 DCADMM CCOC(=O)CN(CC(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825512227 608292967 /nfs/dbraw/zinc/29/29/67/608292967.db2.gz ZAZIVJXUUKDRCF-UHFFFAOYSA-N -1 1 305.342 0.682 20 0 DCADMM CCOC(=O)CN(CC(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825512227 608292969 /nfs/dbraw/zinc/29/29/69/608292969.db2.gz ZAZIVJXUUKDRCF-UHFFFAOYSA-N -1 1 305.342 0.682 20 0 DCADMM CCOC(=O)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825511681 608292979 /nfs/dbraw/zinc/29/29/79/608292979.db2.gz ADVKBFWWBRNMFK-UHFFFAOYSA-N -1 1 302.747 0.976 20 0 DCADMM CCOC(=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825499630 608388118 /nfs/dbraw/zinc/38/81/18/608388118.db2.gz PKMDPWLHGNASDU-VIFPVBQESA-N -1 1 303.326 0.436 20 0 DCADMM CCOC(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825499630 608388119 /nfs/dbraw/zinc/38/81/19/608388119.db2.gz PKMDPWLHGNASDU-VIFPVBQESA-N -1 1 303.326 0.436 20 0 DCADMM CCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825225241 608409780 /nfs/dbraw/zinc/40/97/80/608409780.db2.gz OZBNSGHFMLUCDO-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825225241 608409783 /nfs/dbraw/zinc/40/97/83/608409783.db2.gz OZBNSGHFMLUCDO-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CN(C)C(=O)[C@H]1CC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)O1 ZINC000825838998 608413710 /nfs/dbraw/zinc/41/37/10/608413710.db2.gz DVVWPTHZBQLHCV-GXSJLCMTSA-N -1 1 317.353 0.309 20 0 DCADMM CN(C)C(=O)[C@H]1CC[C@@H](CNc2cccc(-c3nn[n-]n3)n2)O1 ZINC000825838998 608413711 /nfs/dbraw/zinc/41/37/11/608413711.db2.gz DVVWPTHZBQLHCV-GXSJLCMTSA-N -1 1 317.353 0.309 20 0 DCADMM NC(=O)C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC000826390672 608437306 /nfs/dbraw/zinc/43/73/06/608437306.db2.gz IIXQOONWEVBWGO-LLVKDONJSA-N -1 1 316.369 0.893 20 0 DCADMM NC(=O)C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC000826390672 608437308 /nfs/dbraw/zinc/43/73/08/608437308.db2.gz IIXQOONWEVBWGO-LLVKDONJSA-N -1 1 316.369 0.893 20 0 DCADMM O[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCc2ccccc21 ZINC000826506006 608437889 /nfs/dbraw/zinc/43/78/89/608437889.db2.gz KWENWZSIWNTTAQ-OAHLLOKOSA-N -1 1 309.333 0.903 20 0 DCADMM O[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCc2ccccc21 ZINC000826506006 608437892 /nfs/dbraw/zinc/43/78/92/608437892.db2.gz KWENWZSIWNTTAQ-OAHLLOKOSA-N -1 1 309.333 0.903 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826365319 608468263 /nfs/dbraw/zinc/46/82/63/608468263.db2.gz JHZDBAMNBQMPCB-LBPRGKRZSA-N -1 1 311.353 0.727 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826365319 608468265 /nfs/dbraw/zinc/46/82/65/608468265.db2.gz JHZDBAMNBQMPCB-LBPRGKRZSA-N -1 1 311.353 0.727 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCC1(C(N)=O)CCOCC1 ZINC000826280530 608544028 /nfs/dbraw/zinc/54/40/28/608544028.db2.gz FPRIMEMUNPYRRX-UHFFFAOYSA-N -1 1 317.353 0.264 20 0 DCADMM CN(COc1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC000825954322 608546035 /nfs/dbraw/zinc/54/60/35/608546035.db2.gz ZWHFYUGBAMLDPN-UHFFFAOYSA-N -1 1 301.303 0.234 20 0 DCADMM CN(COc1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC000825954322 608546036 /nfs/dbraw/zinc/54/60/36/608546036.db2.gz ZWHFYUGBAMLDPN-UHFFFAOYSA-N -1 1 301.303 0.234 20 0 DCADMM CCC/C=C/C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825258411 608559407 /nfs/dbraw/zinc/55/94/07/608559407.db2.gz CKYZOESOWVMPJK-VMPITWQZSA-N -1 1 318.385 0.919 20 0 DCADMM CCC/C=C/C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825258411 608559408 /nfs/dbraw/zinc/55/94/08/608559408.db2.gz CKYZOESOWVMPJK-VMPITWQZSA-N -1 1 318.385 0.919 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](C)O ZINC000822005044 608582279 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CN1CCC[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)C1=O ZINC000826034033 609467007 /nfs/dbraw/zinc/46/70/07/609467007.db2.gz NQOQBEHMBNYQRU-MRVPVSSYSA-N -1 1 307.335 0.706 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC000826343960 609468377 /nfs/dbraw/zinc/46/83/77/609468377.db2.gz SJSZQQFJWBCYGE-SNVBAGLBSA-N -1 1 302.338 0.964 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC000826343960 609468378 /nfs/dbraw/zinc/46/83/78/609468378.db2.gz SJSZQQFJWBCYGE-SNVBAGLBSA-N -1 1 302.338 0.964 20 0 DCADMM Cc1onc(CC(=O)N2CCCC[C@@H]2[C@@H](C)O)c1-c1nnn[n-]1 ZINC000826344339 609470738 /nfs/dbraw/zinc/47/07/38/609470738.db2.gz FADGXMQRXSAVSI-LDYMZIIASA-N -1 1 320.353 0.468 20 0 DCADMM Cc1onc(CC(=O)N2CCCC[C@@H]2[C@@H](C)O)c1-c1nn[n-]n1 ZINC000826344339 609470739 /nfs/dbraw/zinc/47/07/39/609470739.db2.gz FADGXMQRXSAVSI-LDYMZIIASA-N -1 1 320.353 0.468 20 0 DCADMM Cc1onc(CC(=O)NC(C)(C)C(C)(C)O)c1-c1nnn[n-]1 ZINC000826345524 609470777 /nfs/dbraw/zinc/47/07/77/609470777.db2.gz 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/nfs/dbraw/zinc/68/29/52/660682952.db2.gz CUBDOGYBEAWVGT-NSHDSACASA-N -1 1 319.365 0.404 20 0 DCADMM CCC1CCN(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])CC1 ZINC000899545651 663152092 /nfs/dbraw/zinc/15/20/92/663152092.db2.gz DZBMKKDTXYCENE-UHFFFAOYSA-N -1 1 321.443 0.301 20 0 DCADMM O=C(NC[C@@H]1CCC[N@@H+]1[C@@H]1CCCNC1=O)c1ccccc1O ZINC001027761380 660700363 /nfs/dbraw/zinc/70/03/63/660700363.db2.gz NIQJEHZEFVIJIK-GXTWGEPZSA-N -1 1 317.389 0.865 20 0 DCADMM CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1O ZINC001027761851 660703385 /nfs/dbraw/zinc/70/33/85/660703385.db2.gz SQVCNYBHKQJVBI-VXGBXAGGSA-N -1 1 305.378 0.721 20 0 DCADMM COc1ccc(C(=O)[N-]C(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000053835080 660711248 /nfs/dbraw/zinc/71/12/48/660711248.db2.gz HZUCYHUWQZCRNZ-UHFFFAOYSA-N -1 1 305.250 0.152 20 0 DCADMM Cn1nccc1CN1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001027844266 660828774 /nfs/dbraw/zinc/82/87/74/660828774.db2.gz OTZKWSXZBZBJTO-LBPRGKRZSA-N -1 1 315.377 0.915 20 0 DCADMM Cc1noc(CN2CCC[C@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001027844923 660829348 /nfs/dbraw/zinc/82/93/48/660829348.db2.gz YLWQDJGZWUYNJQ-NSHDSACASA-N -1 1 317.349 0.873 20 0 DCADMM Cn1ncc(CN2CCCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC000981026408 661067278 /nfs/dbraw/zinc/06/72/78/661067278.db2.gz GDRSHDCUUQDEBI-UHFFFAOYSA-N -1 1 316.365 0.264 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@H]2CCC2(C)C)nc1=O ZINC001028080209 661130488 /nfs/dbraw/zinc/13/04/88/661130488.db2.gz UIIOBLZEFZSLJV-VXGBXAGGSA-N -1 1 321.425 0.625 20 0 DCADMM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1cccnc1F ZINC000921380153 665299023 /nfs/dbraw/zinc/29/90/23/665299023.db2.gz IBFLCIPZICXSNF-QMMMGPOBSA-N -1 1 306.315 0.077 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCCN(Cc1nc(=O)n(C)[n-]1)C2 ZINC000981600286 661180037 /nfs/dbraw/zinc/18/00/37/661180037.db2.gz OCHBGVLTCOBFEY-VXGBXAGGSA-N -1 1 319.409 0.189 20 0 DCADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001028124492 661219423 /nfs/dbraw/zinc/21/94/23/661219423.db2.gz 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/nfs/dbraw/zinc/67/38/26/664673826.db2.gz KPCWFZYJPFGHPR-QWRGUYRKSA-N -1 1 307.398 0.235 20 0 DCADMM CCC(=O)N1CCC[C@H](C(=O)N2CCC(c3nn[n-]n3)CC2)C1 ZINC000913743064 664718072 /nfs/dbraw/zinc/71/80/72/664718072.db2.gz DAZKNMFEIADCNT-LBPRGKRZSA-N -1 1 320.397 0.554 20 0 DCADMM CCOCCOCCCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913746050 664718144 /nfs/dbraw/zinc/71/81/44/664718144.db2.gz UVRDRYBPWIICNQ-UHFFFAOYSA-N -1 1 311.386 0.739 20 0 DCADMM O=C(Cc1cnn2ccccc12)N1CCC(c2nn[n-]n2)CC1 ZINC000913746505 664718991 /nfs/dbraw/zinc/71/89/91/664718991.db2.gz XICZKVSDMYKYRK-UHFFFAOYSA-N -1 1 311.349 0.796 20 0 DCADMM COc1ncc(S(=O)(=O)[N-]CCOC(F)(F)F)s1 ZINC000914424548 664779022 /nfs/dbraw/zinc/77/90/22/664779022.db2.gz ITAZFTSJSOAPAW-UHFFFAOYSA-N -1 1 306.287 0.966 20 0 DCADMM C[C@H]1[C@@H](NC(=O)CC2CC2)CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000992948042 664786170 /nfs/dbraw/zinc/78/61/70/664786170.db2.gz ORWIEUPUZYVBRP-JQWIXIFHSA-N -1 1 307.398 0.378 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CC[C@H](C)O2)co1 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0.481 20 0 DCADMM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)CC1(F)CC1 ZINC000918158706 665158999 /nfs/dbraw/zinc/15/89/99/665158999.db2.gz FHKJXNYLFMNXMD-MNOVXSKESA-N -1 1 323.386 0.766 20 0 DCADMM C[C@@H]1CCCC[C@H]1CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001031472603 665164585 /nfs/dbraw/zinc/16/45/85/665164585.db2.gz SRVONHNAFYFRRJ-NEPJUHHUSA-N -1 1 321.425 0.625 20 0 DCADMM CCOC(=O)NCCC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000918757715 665183048 /nfs/dbraw/zinc/18/30/48/665183048.db2.gz DLNZNDUGHLVQNO-GFCCVEGCSA-N -1 1 318.337 0.542 20 0 DCADMM COc1ncc(S(=O)(=O)[N-][C@H](C)[C@@H](O)C(F)(F)F)s1 ZINC000918821774 665184334 /nfs/dbraw/zinc/18/43/34/665184334.db2.gz LRLJHXUEDZPSST-INEUFUBQSA-N -1 1 320.314 0.742 20 0 DCADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cncc(OC)c1 ZINC000919375960 665210143 /nfs/dbraw/zinc/21/01/43/665210143.db2.gz WFYIXIXGPNZALK-GOSISDBHSA-N -1 1 307.397 0.542 20 0 DCADMM CO[C@H]1CC[C@@H](C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)C1 ZINC000994638131 665240574 /nfs/dbraw/zinc/24/05/74/665240574.db2.gz AIOBXOLGAVOXKZ-PWSUYJOCSA-N -1 1 319.361 0.543 20 0 DCADMM Cc1nnc(CN2CC(CNC(=O)c3ncccc3[O-])C2)o1 ZINC001031627464 665244634 /nfs/dbraw/zinc/24/46/34/665244634.db2.gz OCFSAGTXALYLRA-UHFFFAOYSA-N -1 1 303.322 0.340 20 0 DCADMM Cc1nnc(CN2CC(CNC(=O)c3ncccc3[O-])C2)s1 ZINC001031627711 665244690 /nfs/dbraw/zinc/24/46/90/665244690.db2.gz UHYWLCZKYAWWOF-UHFFFAOYSA-N -1 1 319.390 0.809 20 0 DCADMM CCS(=O)(=O)NCCNC(=O)c1c([O-])cccc1Cl ZINC000920446465 665271224 /nfs/dbraw/zinc/27/12/24/665271224.db2.gz ZEJVEAXCZLBBJG-UHFFFAOYSA-N -1 1 306.771 0.715 20 0 DCADMM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)CC[C@H]1CCCCO1 ZINC000921380362 665298940 /nfs/dbraw/zinc/29/89/40/665298940.db2.gz UQBRKGCJHVQQBA-NEPJUHHUSA-N -1 1 323.411 0.443 20 0 DCADMM CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2nc(=O)n(C)[n-]2)CCC1 ZINC001032574486 665365357 /nfs/dbraw/zinc/36/53/57/665365357.db2.gz DJDIDNPFCSFPFE-RYUDHWBXSA-N -1 1 319.409 0.474 20 0 DCADMM C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@H]1NC(=O)c1ccoc1 ZINC000941815142 666063528 /nfs/dbraw/zinc/06/35/28/666063528.db2.gz JUIHZGMQRLMEDM-CMPLNLGQSA-N -1 1 319.365 0.342 20 0 DCADMM O=C(NCC1CN(C(=O)[C@@H]2CCOC2)C1)c1ncccc1[O-] ZINC001001535718 666068951 /nfs/dbraw/zinc/06/89/51/666068951.db2.gz CBAKTHOCMISSEE-LLVKDONJSA-N -1 1 305.334 0.012 20 0 DCADMM O=C(NCC1CN(C(=O)[C@H]2CC23CC3)C1)c1ncccc1[O-] ZINC001001545300 666071023 /nfs/dbraw/zinc/07/10/23/666071023.db2.gz MUEBNEUQHVGXHC-LLVKDONJSA-N -1 1 301.346 0.776 20 0 DCADMM CC(C)[C@H](F)C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001551108 666072107 /nfs/dbraw/zinc/07/21/07/666072107.db2.gz CQWUABQKVWGLNJ-LBPRGKRZSA-N -1 1 309.341 0.970 20 0 DCADMM CCOCCOCC[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000921888918 666155167 /nfs/dbraw/zinc/15/51/67/666155167.db2.gz BRBXHPGOTWLRIZ-UHFFFAOYSA-N -1 1 310.322 0.691 20 0 DCADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(OC)ns1)C(C)C ZINC000921976027 666209919 /nfs/dbraw/zinc/20/99/19/666209919.db2.gz WTELCFYJHMDXRZ-SNVBAGLBSA-N -1 1 322.408 0.769 20 0 DCADMM Cn1cnnc1CN1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001002658977 666203165 /nfs/dbraw/zinc/20/31/65/666203165.db2.gz HTUXAFKMPYGTTN-UHFFFAOYSA-N -1 1 316.365 0.310 20 0 DCADMM Cn1ccc(S(=O)(=O)NCCc2c(F)cc([O-])cc2F)n1 ZINC000921965922 666205643 /nfs/dbraw/zinc/20/56/43/666205643.db2.gz SONICAAMYNAXOH-UHFFFAOYSA-N -1 1 317.317 0.925 20 0 DCADMM O=S(=O)([N-][C@H]1C[C@H](CO)C1)c1nc[nH]c1Br ZINC000922064581 666242215 /nfs/dbraw/zinc/24/22/15/666242215.db2.gz VWUPIPSFXWFTBP-IZLXSQMJSA-N -1 1 310.173 0.221 20 0 DCADMM O=S(=O)([N-][C@H]1C[C@H](O)C12CCOCC2)c1ccns1 ZINC000922083610 666249310 /nfs/dbraw/zinc/24/93/10/666249310.db2.gz SCGNVOPYQIDNNW-IUCAKERBSA-N -1 1 304.393 0.351 20 0 DCADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001032095391 666305950 /nfs/dbraw/zinc/30/59/50/666305950.db2.gz SHEBISKEXGHQIT-BLLLJJGKSA-N -1 1 321.425 0.339 20 0 DCADMM Cn1[n-]c(CN2CCC(NC(=O)C3(C)CCC3)CC2)nc1=O ZINC001003444593 666311511 /nfs/dbraw/zinc/31/15/11/666311511.db2.gz SEBKEZLFVNWHCZ-UHFFFAOYSA-N -1 1 307.398 0.379 20 0 DCADMM Cc1cc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C(C)(C)C2)no1 ZINC000995421598 666355877 /nfs/dbraw/zinc/35/58/77/666355877.db2.gz GYVIMHJRZMGOMV-JTQLQIEISA-N -1 1 320.353 0.447 20 0 DCADMM Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)o1 ZINC001032887009 666371468 /nfs/dbraw/zinc/37/14/68/666371468.db2.gz DZVBZZBIQWMYME-NSHDSACASA-N -1 1 319.365 0.356 20 0 DCADMM Cn1[n-]c(CN2CCC(NC(=O)Cc3ccco3)CC2)nc1=O ZINC001003824452 666375636 /nfs/dbraw/zinc/37/56/36/666375636.db2.gz RFBKGJXJYZHNII-UHFFFAOYSA-N -1 1 319.365 0.025 20 0 DCADMM Cc1noc(CN2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)n1 ZINC001033024168 666434499 /nfs/dbraw/zinc/43/44/99/666434499.db2.gz ABWNKQXSKJGVGC-LLVKDONJSA-N -1 1 317.349 0.825 20 0 DCADMM CN(C)C(=O)CN1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001033026560 666439180 /nfs/dbraw/zinc/43/91/80/666439180.db2.gz XDWCGGUKNSIIAE-NSHDSACASA-N -1 1 306.366 0.022 20 0 DCADMM CC[C@@H](C(N)=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001033036778 666446686 /nfs/dbraw/zinc/44/66/86/666446686.db2.gz UTQCQLJNAVCJEU-MNOVXSKESA-N -1 1 306.366 0.197 20 0 DCADMM CC(C)=CC(=O)N1CCO[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000944561257 666457718 /nfs/dbraw/zinc/45/77/18/666457718.db2.gz PCXSKUPSFIVTCK-GFCCVEGCSA-N -1 1 319.361 0.711 20 0 DCADMM Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)c3cnn[nH]3)C2)co1 ZINC001005020436 666643416 /nfs/dbraw/zinc/64/34/16/666643416.db2.gz IYIXNDBXDUCKLV-RNCFNFMXSA-N -1 1 317.349 0.987 20 0 DCADMM COCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21 ZINC000945928913 666672754 /nfs/dbraw/zinc/67/27/54/666672754.db2.gz JVSJEMCMEMAPJE-VXGBXAGGSA-N -1 1 319.361 0.497 20 0 DCADMM CN(C(=O)[C@@]1(C)C=CCC1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001033333213 666679351 /nfs/dbraw/zinc/67/93/51/666679351.db2.gz RLCGGIMPCTXBAM-WBMJQRKESA-N -1 1 319.409 0.497 20 0 DCADMM Cc1nocc1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C(C)(C)C1 ZINC000996228219 666752157 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COC1CC(C(=O)N2CCCC[C@H]2CNCc2n[nH]c(=O)[n-]2)C1 ZINC000960038058 688285151 /nfs/dbraw/zinc/28/51/51/688285151.db2.gz OCDIPUMJQYPSRI-CXQJBGSLSA-N -1 1 323.397 0.406 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CCCN1C(=O)C(C)(C)F ZINC000960367838 688359669 /nfs/dbraw/zinc/35/96/69/688359669.db2.gz UWBDRHLHROFENO-SNVBAGLBSA-N -1 1 313.377 0.279 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CCCN1C(=O)CCC1CC1 ZINC000960495027 688395453 /nfs/dbraw/zinc/39/54/53/688395453.db2.gz ZBHNTJMGFDMRBY-CYBMUJFWSA-N -1 1 321.425 0.721 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21)C1CCC1 ZINC000960524081 688404925 /nfs/dbraw/zinc/40/49/25/688404925.db2.gz XSLHIBJXSDYZJD-WUWHUORYSA-N -1 1 319.409 0.091 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CCC[C@H]1CN(C)Cc1nc(=O)n(C)[n-]1 ZINC000960815823 688461914 /nfs/dbraw/zinc/46/19/14/688461914.db2.gz NOSULVLXRSGFGB-SRVKXCTJSA-N -1 1 307.398 0.187 20 0 DCADMM O=C(C1CC1)N1CCC[C@H]([C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC000961077269 688525404 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O=C(COC1CCCC1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000967393319 689996695 /nfs/dbraw/zinc/99/66/95/689996695.db2.gz HVOJRSLQCAAACH-SNVBAGLBSA-N -1 1 309.370 0.160 20 0 DCADMM CCN(C(C)=O)C1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000967712679 690052036 /nfs/dbraw/zinc/05/20/36/690052036.db2.gz PSZKLUKTXFHGDK-UHFFFAOYSA-N -1 1 304.350 0.752 20 0 DCADMM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1NC(=O)C1(C)CCC1 ZINC000967728918 690057670 /nfs/dbraw/zinc/05/76/70/690057670.db2.gz ZTYUELHMBUVRRP-NEPJUHHUSA-N -1 1 321.425 0.625 20 0 DCADMM O=C(c1ncc(F)cc1F)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000969107313 690471531 /nfs/dbraw/zinc/47/15/31/690471531.db2.gz PIUSINSQUBRWBH-MRVPVSSYSA-N -1 1 324.291 0.188 20 0 DCADMM Cc1ccoc1C(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001006758991 690582017 /nfs/dbraw/zinc/58/20/17/690582017.db2.gz KURTWKQPCSJKLJ-NSHDSACASA-N -1 1 319.365 0.404 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H](NC(=O)Cc3ccco3)C2)nc1=O ZINC001008949165 690960711 /nfs/dbraw/zinc/96/07/11/690960711.db2.gz 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ZINC001772536753 1157544895 /nfs/dbraw/zinc/54/48/95/1157544895.db2.gz IQCLTCBANOUPIW-NSHDSACASA-N -1 1 318.385 0.875 20 0 DCADMM CCN(CCCNC(=O)c1ccn(C)c1)Cc1n[nH]c(=O)[n-]1 ZINC001752172198 1157866209 /nfs/dbraw/zinc/86/62/09/1157866209.db2.gz JLTQMVNWZNDKKG-UHFFFAOYSA-N -1 1 306.370 0.491 20 0 DCADMM O=C([O-])CC[C@H]1CCCC[N@H+]1CCS(=O)(=O)CC(=O)[O-] ZINC001771738475 1158230381 /nfs/dbraw/zinc/23/03/81/1158230381.db2.gz BLAQJZQGPVEXHG-SNVBAGLBSA-N -1 1 307.368 0.205 20 0 DCADMM COCCCCC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001745967374 1158233599 /nfs/dbraw/zinc/23/35/99/1158233599.db2.gz XMMLQSKMVPOEKH-UHFFFAOYSA-N -1 1 321.377 0.792 20 0 DCADMM CS[C@@H](C)C(=O)NCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001720024909 1158568650 /nfs/dbraw/zinc/56/86/50/1158568650.db2.gz XANRZTQUHRUOLU-QMMMGPOBSA-N -1 1 324.406 0.657 20 0 DCADMM COCCn1c(Cc2nnn[n-]2)nnc1N(CC(C)C)C(C)C ZINC001649114492 1158647993 /nfs/dbraw/zinc/64/79/93/1158647993.db2.gz RUASDFNUZCKIIJ-UHFFFAOYSA-N -1 1 322.417 0.899 20 0 DCADMM COCCn1c(Cc2nn[n-]n2)nnc1N(CC(C)C)C(C)C ZINC001649114492 1158647995 /nfs/dbraw/zinc/64/79/95/1158647995.db2.gz RUASDFNUZCKIIJ-UHFFFAOYSA-N -1 1 322.417 0.899 20 0 DCADMM O=C(NCCNC(=O)[C@H]1C[C@]12CCOC2)c1ncccc1[O-] ZINC001720070678 1158796858 /nfs/dbraw/zinc/79/68/58/1158796858.db2.gz QCVCPMCKELXAPU-BMIGLBTASA-N -1 1 305.334 0.060 20 0 DCADMM Cc1ncc(CC(=O)NCCNC(=O)c2ncccc2[O-])o1 ZINC001720070877 1158797735 /nfs/dbraw/zinc/79/77/35/1158797735.db2.gz YJNFLICBSFXYOR-UHFFFAOYSA-N -1 1 304.306 0.172 20 0 DCADMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)[C@H]1CCC(=O)C1 ZINC001649174623 1159002892 /nfs/dbraw/zinc/00/28/92/1159002892.db2.gz MKRQQGIDWBMFBL-VIFPVBQESA-N -1 1 304.306 0.181 20 0 DCADMM C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H](C)n1cccc1 ZINC001445690520 1159310806 /nfs/dbraw/zinc/31/08/06/1159310806.db2.gz MNSZJVDHOGSZRR-NEPJUHHUSA-N -1 1 320.397 0.108 20 0 DCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC001446721933 1159510739 /nfs/dbraw/zinc/51/07/39/1159510739.db2.gz UICLXYKOERGYJK-BGYSENGCSA-N -1 1 324.358 0.402 20 0 DCADMM CC[N@H+](CCCNC(=O)c1ncccc1[O-])Cc1n[nH]c(=O)[n-]1 ZINC001566547285 1160050898 /nfs/dbraw/zinc/05/08/98/1160050898.db2.gz MLTAJPIAVYDOKH-UHFFFAOYSA-N -1 1 320.353 0.253 20 0 DCADMM CC[N@@H+](CCCNC(=O)c1ncccc1[O-])Cc1n[nH]c(=O)[n-]1 ZINC001566547285 1160050907 /nfs/dbraw/zinc/05/09/07/1160050907.db2.gz MLTAJPIAVYDOKH-UHFFFAOYSA-N -1 1 320.353 0.253 20 0 DCADMM CCC(=CC(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-])CC ZINC001572321254 1163114134 /nfs/dbraw/zinc/11/41/34/1163114134.db2.gz MFYWTOSODTXEQC-LBPRGKRZSA-N -1 1 321.377 0.741 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001567581345 1160429285 /nfs/dbraw/zinc/42/92/85/1160429285.db2.gz FAWASVOIUCKHFP-NEPJUHHUSA-N -1 1 307.398 0.885 20 0 DCADMM Nc1ccc(F)cc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001567808866 1160486684 /nfs/dbraw/zinc/48/66/84/1160486684.db2.gz HAQNUBVGZQBAKR-JTQLQIEISA-N -1 1 308.342 0.851 20 0 DCADMM O=C(CC1(O)CCC1)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001569980744 1161369347 /nfs/dbraw/zinc/36/93/47/1161369347.db2.gz MCPBHFLFKVWDNV-LLVKDONJSA-N -1 1 323.397 0.144 20 0 DCADMM CO[C@@](C)([C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O)C1CC1 ZINC001570331062 1161559938 /nfs/dbraw/zinc/55/99/38/1161559938.db2.gz LLMGBKJKMKYXFF-BONVTDFDSA-N -1 1 309.366 0.247 20 0 DCADMM CCC[C@]1(C(=O)[O-])CCCN1CC(=O)N(C)CC(=O)OCC ZINC001573734111 1163544770 /nfs/dbraw/zinc/54/47/70/1163544770.db2.gz RGVJZVOJDOXORF-OAHLLOKOSA-N -1 1 314.382 0.727 20 0 DCADMM CCO[C@@H]1COC[C@H]1NCc1cnc2c(C(=O)[O-])cnn2c1 ZINC001573801364 1163557087 /nfs/dbraw/zinc/55/70/87/1163557087.db2.gz UZYJYJGMRWFGHJ-VXGBXAGGSA-N -1 1 306.322 0.321 20 0 DCADMM CN(C[C@H](O)c1cccnc1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC001573870050 1163574239 /nfs/dbraw/zinc/57/42/39/1163574239.db2.gz KBPFUUKFFYFCSG-KGLIPLIRSA-N -1 1 321.377 0.370 20 0 DCADMM CC(C)=CC(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573941257 1163595169 /nfs/dbraw/zinc/59/51/69/1163595169.db2.gz CGFPCQDDHGOZBB-ZJUUUORDSA-N -1 1 316.369 0.350 20 0 DCADMM CC(C)C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573958786 1163603854 /nfs/dbraw/zinc/60/38/54/1163603854.db2.gz NKOUGTHWKUGCRL-CQSZACIVSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573962942 1163606252 /nfs/dbraw/zinc/60/62/52/1163606252.db2.gz DLEWCZPBAFCKOP-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573962942 1163606258 /nfs/dbraw/zinc/60/62/58/1163606258.db2.gz DLEWCZPBAFCKOP-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)[C@H](C)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574004223 1163622731 /nfs/dbraw/zinc/62/27/31/1163622731.db2.gz QAAPUEVDUWAHEV-ZJUUUORDSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@H](C)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574004223 1163622737 /nfs/dbraw/zinc/62/27/37/1163622737.db2.gz QAAPUEVDUWAHEV-ZJUUUORDSA-N -1 1 318.385 0.865 20 0 DCADMM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)CCN1CC[C@H](F)C1 ZINC001574293369 1163686152 /nfs/dbraw/zinc/68/61/52/1163686152.db2.gz GCFWBJGXXOXQMB-QJPTWQEYSA-N -1 1 302.346 0.559 20 0 DCADMM O=C([O-])[C@H](NC(=O)CCN1CC[C@H](F)C1)[C@H]1CCCOC1 ZINC001574293843 1163688199 /nfs/dbraw/zinc/68/81/99/1163688199.db2.gz RJMUXIRSAOBWCV-GMXVVIOVSA-N -1 1 302.346 0.416 20 0 DCADMM O=C(CN1CCC[C@@H](C(=O)[O-])C1)N[C@]12C[C@H]1COC21CCC1 ZINC001574299544 1163689929 /nfs/dbraw/zinc/68/99/29/1163689929.db2.gz NPMAHRCHAIGXGH-BFQNTYOBSA-N -1 1 308.378 0.611 20 0 DCADMM O=C([O-])N1C[C@H](NCc2cc3c(cc[nH]c3=O)o2)[C@@H](CO)C1 ZINC001574377227 1163710766 /nfs/dbraw/zinc/71/07/66/1163710766.db2.gz OSGDWXKEMHRHRB-KCJUWKMLSA-N -1 1 307.306 0.594 20 0 DCADMM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)NCCN3CCCOCC3)C[C@@H]21 ZINC001574400149 1163714116 /nfs/dbraw/zinc/71/41/16/1163714116.db2.gz CXNLGEROFDXRBJ-FRRDWIJNSA-N -1 1 311.382 0.071 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001574414493 1163717388 /nfs/dbraw/zinc/71/73/88/1163717388.db2.gz APEOZBQNGQDZQV-SECBINFHSA-N -1 1 304.310 0.106 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@@H]1CCN(C(=O)c2cc(F)c[nH]c2=O)C1 ZINC001574415935 1163717934 /nfs/dbraw/zinc/71/79/34/1163717934.db2.gz YPVBNZQXZYUHOE-SSDOTTSWSA-N -1 1 320.280 0.977 20 0 DCADMM C[C@@H](CCNC(=O)CC1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574601403 1163734518 /nfs/dbraw/zinc/73/45/18/1163734518.db2.gz GIWBYWXRSDKPKM-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNC(=O)CC1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574601403 1163734525 /nfs/dbraw/zinc/73/45/25/1163734525.db2.gz GIWBYWXRSDKPKM-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C ZINC001574799251 1163754441 /nfs/dbraw/zinc/75/44/41/1163754441.db2.gz CCMIBUHQQGKFFX-SECBINFHSA-N -1 1 318.385 0.644 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574830956 1163761974 /nfs/dbraw/zinc/76/19/74/1163761974.db2.gz JDRQGXGPRQARKR-SECBINFHSA-N -1 1 318.385 0.867 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574830956 1163761980 /nfs/dbraw/zinc/76/19/80/1163761980.db2.gz JDRQGXGPRQARKR-SECBINFHSA-N -1 1 318.385 0.867 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574846720 1163768878 /nfs/dbraw/zinc/76/88/78/1163768878.db2.gz WFSRKHYGEWGZHF-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574846720 1163768887 /nfs/dbraw/zinc/76/88/87/1163768887.db2.gz WFSRKHYGEWGZHF-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574867051 1163777727 /nfs/dbraw/zinc/77/77/27/1163777727.db2.gz BBVMJTGQKFQIGC-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574867051 1163777736 /nfs/dbraw/zinc/77/77/36/1163777736.db2.gz BBVMJTGQKFQIGC-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CNC(=O)CCCF)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574904157 1163793465 /nfs/dbraw/zinc/79/34/65/1163793465.db2.gz HMCMLWIBAHUMKR-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@H](CNC(=O)CCCF)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574904157 1163793473 /nfs/dbraw/zinc/79/34/73/1163793473.db2.gz HMCMLWIBAHUMKR-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1nnnn1C1CC1 ZINC001575357813 1163985988 /nfs/dbraw/zinc/98/59/88/1163985988.db2.gz WLXMBBGDQQRLCK-LURJTMIESA-N -1 1 315.297 0.272 20 0 DCADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1nnnn1C1CC1 ZINC001575357813 1163985996 /nfs/dbraw/zinc/98/59/96/1163985996.db2.gz WLXMBBGDQQRLCK-LURJTMIESA-N -1 1 315.297 0.272 20 0 DCADMM CCC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001576406502 1164328462 /nfs/dbraw/zinc/32/84/62/1164328462.db2.gz BOUHYDDHKYAMQL-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001576406502 1164328470 /nfs/dbraw/zinc/32/84/70/1164328470.db2.gz BOUHYDDHKYAMQL-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576414546 1164334742 /nfs/dbraw/zinc/33/47/42/1164334742.db2.gz CKTYLYQAIADJPA-UHFFFAOYSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576414546 1164334751 /nfs/dbraw/zinc/33/47/51/1164334751.db2.gz CKTYLYQAIADJPA-UHFFFAOYSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N[C@H](C)CCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576438069 1164343330 /nfs/dbraw/zinc/34/33/30/1164343330.db2.gz LPQSIAOQZCKVQB-SECBINFHSA-N -1 1 318.385 0.936 20 0 DCADMM CCC(=O)N[C@H](C)CCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576438069 1164343335 /nfs/dbraw/zinc/34/33/35/1164343335.db2.gz LPQSIAOQZCKVQB-SECBINFHSA-N -1 1 318.385 0.936 20 0 DCADMM CCC(=O)NCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CCC1 ZINC001576472032 1164355497 /nfs/dbraw/zinc/35/54/97/1164355497.db2.gz UKEWWARUDXOGGL-UHFFFAOYSA-N -1 1 316.369 0.826 20 0 DCADMM CCC(=O)NCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CCC1 ZINC001576472032 1164355501 /nfs/dbraw/zinc/35/55/01/1164355501.db2.gz UKEWWARUDXOGGL-UHFFFAOYSA-N -1 1 316.369 0.826 20 0 DCADMM CCC(=O)NC[C@@H](CC)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576472112 1164356317 /nfs/dbraw/zinc/35/63/17/1164356317.db2.gz WUQZZHPSUAVKRR-SECBINFHSA-N -1 1 318.385 0.936 20 0 DCADMM CCC(=O)NC[C@@H](CC)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576472112 1164356326 /nfs/dbraw/zinc/35/63/26/1164356326.db2.gz WUQZZHPSUAVKRR-SECBINFHSA-N -1 1 318.385 0.936 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001576477814 1164357630 /nfs/dbraw/zinc/35/76/30/1164357630.db2.gz RLJVJVYKGKJDQJ-MGCOHNPYSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001576477814 1164357635 /nfs/dbraw/zinc/35/76/35/1164357635.db2.gz RLJVJVYKGKJDQJ-MGCOHNPYSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576486352 1164364189 /nfs/dbraw/zinc/36/41/89/1164364189.db2.gz GUYBSDDKRYLNAI-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576486352 1164364200 /nfs/dbraw/zinc/36/42/00/1164364200.db2.gz GUYBSDDKRYLNAI-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576589340 1164406981 /nfs/dbraw/zinc/40/69/81/1164406981.db2.gz IORFKUJGBMQFQV-NXEZZACHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576589340 1164406983 /nfs/dbraw/zinc/40/69/83/1164406983.db2.gz IORFKUJGBMQFQV-NXEZZACHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001576605825 1164410037 /nfs/dbraw/zinc/41/00/37/1164410037.db2.gz NQVXIHNFMBHSSK-UWVGGRQHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001576605825 1164410041 /nfs/dbraw/zinc/41/00/41/1164410041.db2.gz NQVXIHNFMBHSSK-UWVGGRQHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)CC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576614360 1164413634 /nfs/dbraw/zinc/41/36/34/1164413634.db2.gz FZDNJTXVPBWQFX-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)CC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576614360 1164413638 /nfs/dbraw/zinc/41/36/38/1164413638.db2.gz FZDNJTXVPBWQFX-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001576928025 1164536897 /nfs/dbraw/zinc/53/68/97/1164536897.db2.gz QRICZNAZRWEYJA-VIFPVBQESA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001576928025 1164536902 /nfs/dbraw/zinc/53/69/02/1164536902.db2.gz QRICZNAZRWEYJA-VIFPVBQESA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001576939506 1164546221 /nfs/dbraw/zinc/54/62/21/1164546221.db2.gz FROKCLKDHVFEBE-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001576939506 1164546226 /nfs/dbraw/zinc/54/62/26/1164546226.db2.gz FROKCLKDHVFEBE-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576965910 1164561791 /nfs/dbraw/zinc/56/17/91/1164561791.db2.gz MMRNKKFFNGLLJF-YIZRAAEISA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576965910 1164561797 /nfs/dbraw/zinc/56/17/97/1164561797.db2.gz MMRNKKFFNGLLJF-YIZRAAEISA-N -1 1 320.332 0.464 20 0 DCADMM CN(CCCNC(=O)[C@]12C[C@H]1COC2)C(=O)c1ncccc1[O-] ZINC001577102931 1164603137 /nfs/dbraw/zinc/60/31/37/1164603137.db2.gz BUFFHJGFFZIDBO-ZBEGNZNMSA-N -1 1 319.361 0.402 20 0 DCADMM CCC1(C(=O)N[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001577105081 1164603673 /nfs/dbraw/zinc/60/36/73/1164603673.db2.gz KTELQKWDXXLFDI-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)N[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001577105081 1164603678 /nfs/dbraw/zinc/60/36/78/1164603678.db2.gz KTELQKWDXXLFDI-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001577197777 1164631522 /nfs/dbraw/zinc/63/15/22/1164631522.db2.gz JGYCHCYOFDRQOG-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001577197777 1164631526 /nfs/dbraw/zinc/63/15/26/1164631526.db2.gz JGYCHCYOFDRQOG-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001577202126 1164632710 /nfs/dbraw/zinc/63/27/10/1164632710.db2.gz BSRVZAVPFYIPAP-UWVGGRQHSA-N -1 1 314.353 0.246 20 0 DCADMM CCCC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001577203289 1164632809 /nfs/dbraw/zinc/63/28/09/1164632809.db2.gz UXBKVICZGVMTDM-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001577203289 1164632812 /nfs/dbraw/zinc/63/28/12/1164632812.db2.gz UXBKVICZGVMTDM-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CCC[C@H](C)C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577282593 1164660202 /nfs/dbraw/zinc/66/02/02/1164660202.db2.gz NLLHBBKJFLSBRX-VHSXEESVSA-N -1 1 318.385 0.431 20 0 DCADMM CCCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577416690 1164687675 /nfs/dbraw/zinc/68/76/75/1164687675.db2.gz KXFPZMDQYAQZJX-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577416690 1164687684 /nfs/dbraw/zinc/68/76/84/1164687684.db2.gz KXFPZMDQYAQZJX-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001577417768 1164688632 /nfs/dbraw/zinc/68/86/32/1164688632.db2.gz VWNCPZQRIGJKTC-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCCCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001577417768 1164688638 /nfs/dbraw/zinc/68/86/38/1164688638.db2.gz VWNCPZQRIGJKTC-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577426150 1164689728 /nfs/dbraw/zinc/68/97/28/1164689728.db2.gz HYGXMQKUUNMUTM-MGCOHNPYSA-N -1 1 316.369 0.906 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577426150 1164689733 /nfs/dbraw/zinc/68/97/33/1164689733.db2.gz HYGXMQKUUNMUTM-MGCOHNPYSA-N -1 1 316.369 0.906 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3c[nH]nn3)[C@@H]2C)c1[O-] ZINC001577518206 1164712282 /nfs/dbraw/zinc/71/22/82/1164712282.db2.gz BPINYOHGKBYMTN-MWLCHTKSSA-N -1 1 319.369 0.325 20 0 DCADMM CCN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)CCCF ZINC001578124294 1164929534 /nfs/dbraw/zinc/92/95/34/1164929534.db2.gz WQIKCDSTFADZCU-UHFFFAOYSA-N -1 1 322.348 0.667 20 0 DCADMM CCN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)CCCF ZINC001578124294 1164929542 /nfs/dbraw/zinc/92/95/42/1164929542.db2.gz WQIKCDSTFADZCU-UHFFFAOYSA-N -1 1 322.348 0.667 20 0 DCADMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)[C@@H]1C[C@@H]1C ZINC001578145880 1164937262 /nfs/dbraw/zinc/93/72/62/1164937262.db2.gz ZLRCSZCPGISYHP-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)[C@@H]1C[C@@H]1C ZINC001578145880 1164937269 /nfs/dbraw/zinc/93/72/69/1164937269.db2.gz ZLRCSZCPGISYHP-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM CCOC(=O)c1cnn(CCc2nnc(C)o2)c1-c1nn[n-]n1 ZINC001578254460 1164964532 /nfs/dbraw/zinc/96/45/32/1164964532.db2.gz QHLFBEOZIRNXKJ-UHFFFAOYSA-N -1 1 318.297 0.174 20 0 DCADMM CCOC(=O)c1cc(Nc2ncncc2-c2nn[n-]n2)cn1C ZINC001578253013 1164965569 /nfs/dbraw/zinc/96/55/69/1164965569.db2.gz AUILQADGTBVBBP-UHFFFAOYSA-N -1 1 314.309 0.916 20 0 DCADMM CCO[C@H]1C[C@H](NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001578383383 1164994785 /nfs/dbraw/zinc/99/47/85/1164994785.db2.gz OJRAWFWIBSEZDJ-KYZUINATSA-N -1 1 318.337 0.573 20 0 DCADMM CCOc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)on1 ZINC001578391338 1164996647 /nfs/dbraw/zinc/99/66/47/1164996647.db2.gz QBNIXRUKZBQIMI-UHFFFAOYSA-N -1 1 301.266 0.901 20 0 DCADMM CCc1nc(NC[C@@H](O)c2cncs2)cc(-c2nnn[n-]2)n1 ZINC001578652910 1165081082 /nfs/dbraw/zinc/08/10/82/1165081082.db2.gz MPKGTWTUYBEINI-MRVPVSSYSA-N -1 1 318.366 0.821 20 0 DCADMM CCc1nc(NC[C@@H](O)c2cncs2)cc(-c2nn[n-]n2)n1 ZINC001578652910 1165081093 /nfs/dbraw/zinc/08/10/93/1165081093.db2.gz MPKGTWTUYBEINI-MRVPVSSYSA-N -1 1 318.366 0.821 20 0 DCADMM CCn1cc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001578757498 1165095745 /nfs/dbraw/zinc/09/57/45/1165095745.db2.gz CXMHWUHHENKVTA-UHFFFAOYSA-N -1 1 314.313 0.195 20 0 DCADMM CCn1cc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001578757498 1165095751 /nfs/dbraw/zinc/09/57/51/1165095751.db2.gz CXMHWUHHENKVTA-UHFFFAOYSA-N -1 1 314.313 0.195 20 0 DCADMM CCn1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c(C(N)=O)n1 ZINC001578759576 1165097877 /nfs/dbraw/zinc/09/78/77/1165097877.db2.gz QTVIKRGBNOULPD-UHFFFAOYSA-N -1 1 316.281 0.027 20 0 DCADMM CN(C(=O)C[C@H]1COC(=O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578869720 1165144799 /nfs/dbraw/zinc/14/47/99/1165144799.db2.gz YAEXJTGSUIABKV-MRVPVSSYSA-N -1 1 302.294 0.178 20 0 DCADMM CN(C(=O)C[C@H]1COC(=O)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578869720 1165144803 /nfs/dbraw/zinc/14/48/03/1165144803.db2.gz YAEXJTGSUIABKV-MRVPVSSYSA-N -1 1 302.294 0.178 20 0 DCADMM CN(C(=O)NCCn1cnc(-c2nn[n-]n2)n1)C1CC(C)(C)C1 ZINC001578888663 1165152463 /nfs/dbraw/zinc/15/24/63/1165152463.db2.gz UYXBETKUWYVIAL-UHFFFAOYSA-N -1 1 319.373 0.288 20 0 DCADMM CN(CC(=O)NCc1ccccc1)c1ncncc1-c1nn[n-]n1 ZINC001579009680 1165187093 /nfs/dbraw/zinc/18/70/93/1165187093.db2.gz MODHWYNZCJRLOW-UHFFFAOYSA-N -1 1 324.348 0.409 20 0 DCADMM CN(CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001579011152 1165188487 /nfs/dbraw/zinc/18/84/87/1165188487.db2.gz VGWUKZAFIUYUFH-UHFFFAOYSA-N -1 1 322.329 0.395 20 0 DCADMM CN(CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001579011152 1165188490 /nfs/dbraw/zinc/18/84/90/1165188490.db2.gz VGWUKZAFIUYUFH-UHFFFAOYSA-N -1 1 322.329 0.395 20 0 DCADMM CN(CC1(O)CCC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579064009 1165197231 /nfs/dbraw/zinc/19/72/31/1165197231.db2.gz RUJRQHNEONDNRS-UHFFFAOYSA-N -1 1 322.394 0.985 20 0 DCADMM CN(CCNC(=O)CC1(C)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001579174359 1165231022 /nfs/dbraw/zinc/23/10/22/1165231022.db2.gz UAOSUPPFKYBLKP-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)CC1(C)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001579174359 1165231031 /nfs/dbraw/zinc/23/10/31/1165231031.db2.gz UAOSUPPFKYBLKP-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCc1ncon1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579232513 1165244444 /nfs/dbraw/zinc/24/44/44/1165244444.db2.gz FIOATQSWFQMMHN-UHFFFAOYSA-N -1 1 305.323 0.626 20 0 DCADMM CN1C(=O)CCc2cc(Nc3ccnc(-c4nn[n-]n4)n3)ccc21 ZINC001579307780 1165267356 /nfs/dbraw/zinc/26/73/56/1165267356.db2.gz RSKMCCKGQBBYPW-UHFFFAOYSA-N -1 1 322.332 0.731 20 0 DCADMM COC(=O)[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)C[C@H]1C1CC1 ZINC001579470055 1165320677 /nfs/dbraw/zinc/32/06/77/1165320677.db2.gz LLGDGTMNJFLIGJ-VHSXEESVSA-N -1 1 315.337 0.292 20 0 DCADMM COC(=O)[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)C[C@H]1C1CC1 ZINC001579470055 1165320681 /nfs/dbraw/zinc/32/06/81/1165320681.db2.gz LLGDGTMNJFLIGJ-VHSXEESVSA-N -1 1 315.337 0.292 20 0 DCADMM COC(=O)c1ccc(NCc2cnc(C)o2)c(-c2nnn[n-]2)n1 ZINC001579485424 1165328484 /nfs/dbraw/zinc/32/84/84/1165328484.db2.gz WXXSPGFPBZAQMK-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1ccc(NCc2cnc(C)o2)c(-c2nn[n-]n2)n1 ZINC001579485424 1165328491 /nfs/dbraw/zinc/32/84/91/1165328491.db2.gz WXXSPGFPBZAQMK-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001579487686 1165328612 /nfs/dbraw/zinc/32/86/12/1165328612.db2.gz PPADRBFSFGQKKO-UHFFFAOYSA-N -1 1 314.265 0.024 20 0 DCADMM COC(=O)c1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001579487686 1165328619 /nfs/dbraw/zinc/32/86/19/1165328619.db2.gz PPADRBFSFGQKKO-UHFFFAOYSA-N -1 1 314.265 0.024 20 0 DCADMM COC(=O)c1ccc(N(C)Cc2ccon2)c(-c2nnn[n-]2)n1 ZINC001579482838 1165328714 /nfs/dbraw/zinc/32/87/14/1165328714.db2.gz PVPNUBGLDQXVPC-UHFFFAOYSA-N -1 1 315.293 0.673 20 0 DCADMM COC(=O)c1ccc(N(C)Cc2ccon2)c(-c2nn[n-]n2)n1 ZINC001579482838 1165328721 /nfs/dbraw/zinc/32/87/21/1165328721.db2.gz PVPNUBGLDQXVPC-UHFFFAOYSA-N -1 1 315.293 0.673 20 0 DCADMM COC(=O)c1oc(CNc2cc(-c3nnn[n-]3)ncn2)cc1C ZINC001579493083 1165332911 /nfs/dbraw/zinc/33/29/11/1165332911.db2.gz IOVBTPFKPCYEBM-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1oc(CNc2cc(-c3nn[n-]n3)ncn2)cc1C ZINC001579493083 1165332915 /nfs/dbraw/zinc/33/29/15/1165332915.db2.gz IOVBTPFKPCYEBM-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM CO[C@@H](Cn1cncc(-c2nn[n-]n2)c1=O)c1ccc(F)cc1 ZINC001579595958 1165354304 /nfs/dbraw/zinc/35/43/04/1165354304.db2.gz MBWCBUSTMJIOTK-LBPRGKRZSA-N -1 1 316.296 0.950 20 0 DCADMM CON1CCC(N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001579847185 1165409406 /nfs/dbraw/zinc/40/94/06/1165409406.db2.gz CFYRPRUHUGBXOM-UHFFFAOYSA-N -1 1 317.353 0.360 20 0 DCADMM CON1CCC(N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001579847185 1165409410 /nfs/dbraw/zinc/40/94/10/1165409410.db2.gz CFYRPRUHUGBXOM-UHFFFAOYSA-N -1 1 317.353 0.360 20 0 DCADMM COc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cnn1C ZINC001579871888 1165418151 /nfs/dbraw/zinc/41/81/51/1165418151.db2.gz BUYSYAIWERYZEI-UHFFFAOYSA-N -1 1 314.309 0.280 20 0 DCADMM COc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC001579932720 1165443437 /nfs/dbraw/zinc/44/34/37/1165443437.db2.gz WEBPETADNCKDIN-UHFFFAOYSA-N -1 1 311.305 0.847 20 0 DCADMM COc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001579932720 1165443440 /nfs/dbraw/zinc/44/34/40/1165443440.db2.gz WEBPETADNCKDIN-UHFFFAOYSA-N -1 1 311.305 0.847 20 0 DCADMM COc1ccccc1OCCn1cnc(-c2nn[n-]n2)cc1=O ZINC001580083571 1165494625 /nfs/dbraw/zinc/49/46/25/1165494625.db2.gz MQSOBMPEFMESHZ-UHFFFAOYSA-N -1 1 314.305 0.511 20 0 DCADMM COc1cncc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC001580114188 1165508883 /nfs/dbraw/zinc/50/88/83/1165508883.db2.gz BAXLPZHNVFFFKM-UHFFFAOYSA-N -1 1 316.281 0.143 20 0 DCADMM COc1cncc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC001580114188 1165508889 /nfs/dbraw/zinc/50/88/89/1165508889.db2.gz BAXLPZHNVFFFKM-UHFFFAOYSA-N -1 1 316.281 0.143 20 0 DCADMM COc1ncc(NC(=O)Cc2nonc2C)cc1-c1nn[n-]n1 ZINC001580135247 1165513824 /nfs/dbraw/zinc/51/38/24/1165513824.db2.gz WQGWZMUBDGSVMV-UHFFFAOYSA-N -1 1 316.281 0.143 20 0 DCADMM CSc1nc(CNc2cc(-c3nn[nH]n3)cnn2)cc(=O)[n-]1 ZINC001580237978 1165544206 /nfs/dbraw/zinc/54/42/06/1165544206.db2.gz FOEGFXNASOEDFU-UHFFFAOYSA-N -1 1 317.338 0.486 20 0 DCADMM C[C@@H](CCNC(=O)CCCF)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001580244668 1165546800 /nfs/dbraw/zinc/54/68/00/1165546800.db2.gz CFIMPTYDIPMLJG-VIFPVBQESA-N -1 1 322.348 0.713 20 0 DCADMM C[C@@H](CCNC(=O)CCCF)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001580244668 1165546804 /nfs/dbraw/zinc/54/68/04/1165546804.db2.gz CFIMPTYDIPMLJG-VIFPVBQESA-N -1 1 322.348 0.713 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC1CCC1 ZINC001580295624 1165561174 /nfs/dbraw/zinc/56/11/74/1165561174.db2.gz UZSUZSAHXSDZJI-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC1CCC1 ZINC001580295624 1165561182 /nfs/dbraw/zinc/56/11/82/1165561182.db2.gz UZSUZSAHXSDZJI-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001580371633 1165586779 /nfs/dbraw/zinc/58/67/79/1165586779.db2.gz VJXWKJDRJVNEBR-RKDXNWHRSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001580371633 1165586787 /nfs/dbraw/zinc/58/67/87/1165586787.db2.gz VJXWKJDRJVNEBR-RKDXNWHRSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC12CC2 ZINC001580422234 1165599726 /nfs/dbraw/zinc/59/97/26/1165599726.db2.gz HTWHKVHAZDDDIN-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC12CC2 ZINC001580422234 1165599735 /nfs/dbraw/zinc/59/97/35/1165599735.db2.gz HTWHKVHAZDDDIN-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)Cc2ccc(F)cn2)nn1C ZINC001580523664 1165629717 /nfs/dbraw/zinc/62/97/17/1165629717.db2.gz HZHUTJSXKJNODH-UHFFFAOYSA-N -1 1 316.300 0.624 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)Cc2ccc(F)cn2)nn1C ZINC001580523664 1165629718 /nfs/dbraw/zinc/62/97/18/1165629718.db2.gz HZHUTJSXKJNODH-UHFFFAOYSA-N -1 1 316.300 0.624 20 0 DCADMM Cc1c(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)cnn1C ZINC001580562820 1165639818 /nfs/dbraw/zinc/63/98/18/1165639818.db2.gz SDTVQWPOMPUSBO-UHFFFAOYSA-N -1 1 317.378 0.829 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@]1(C)CO ZINC001580597831 1165650018 /nfs/dbraw/zinc/65/00/18/1165650018.db2.gz MLIAOLTULDWVEN-CQSZACIVSA-N -1 1 318.337 0.263 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC001580597813 1165650294 /nfs/dbraw/zinc/65/02/94/1165650294.db2.gz OAQTVMMHTDENOF-GMSGAONNSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC(=O)C(C)(C)C ZINC001580601644 1165650892 /nfs/dbraw/zinc/65/08/92/1165650892.db2.gz CBDZVMFQRVRGIF-UHFFFAOYSA-N -1 1 318.337 0.621 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)c1ncc[nH]1 ZINC001580606318 1165653770 /nfs/dbraw/zinc/65/37/70/1165653770.db2.gz GFMKCCUQSBXHDG-SSDOTTSWSA-N -1 1 314.309 0.490 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1cccnc1 ZINC001580605764 1165654174 /nfs/dbraw/zinc/65/41/74/1165654174.db2.gz IHRWKMQKAGFPTB-UHFFFAOYSA-N -1 1 311.305 0.601 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)CCCF)n1 ZINC001580641419 1165671840 /nfs/dbraw/zinc/67/18/40/1165671840.db2.gz DHHZSZYASLMFIJ-UHFFFAOYSA-N -1 1 322.348 0.267 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)CCCF)n1 ZINC001580641419 1165671841 /nfs/dbraw/zinc/67/18/41/1165671841.db2.gz DHHZSZYASLMFIJ-UHFFFAOYSA-N -1 1 322.348 0.267 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(Oc2ccc(C(N)=O)cc2F)n1 ZINC001580761571 1165713851 /nfs/dbraw/zinc/71/38/51/1165713851.db2.gz LLYJIVJOHLCEFG-UHFFFAOYSA-N -1 1 315.268 0.995 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(Oc2ccc(C(N)=O)cc2F)n1 ZINC001580761571 1165713860 /nfs/dbraw/zinc/71/38/60/1165713860.db2.gz LLYJIVJOHLCEFG-UHFFFAOYSA-N -1 1 315.268 0.995 20 0 DCADMM Cc1cc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)c(C)nn1 ZINC001580931176 1165758480 /nfs/dbraw/zinc/75/84/80/1165758480.db2.gz VLEBTTCRLIEJQJ-UHFFFAOYSA-N -1 1 323.360 0.972 20 0 DCADMM Cc1ccc([C@@H]2C[C@H]2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001581214064 1165798620 /nfs/dbraw/zinc/79/86/20/1165798620.db2.gz YITRHILCNNSXNH-NWDGAFQWSA-N -1 1 324.348 0.439 20 0 DCADMM Cc1cnc(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)o1 ZINC001581319073 1165813040 /nfs/dbraw/zinc/81/30/40/1165813040.db2.gz IRSQXABNXWUUMA-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2Cc3ccccc3NC(=O)C2)n1 ZINC001581411299 1165822837 /nfs/dbraw/zinc/82/28/37/1165822837.db2.gz UNIRUCKBULVOBM-UHFFFAOYSA-N -1 1 322.332 0.924 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2Cc3ccccc3NC(=O)C2)n1 ZINC001581411299 1165822844 /nfs/dbraw/zinc/82/28/44/1165822844.db2.gz UNIRUCKBULVOBM-UHFFFAOYSA-N -1 1 322.332 0.924 20 0 DCADMM Cc1nnc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)s1 ZINC001581609300 1165848810 /nfs/dbraw/zinc/84/88/10/1165848810.db2.gz FHLAMLJPFKJNDV-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nnc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)s1 ZINC001581609300 1165848821 /nfs/dbraw/zinc/84/88/21/1165848821.db2.gz FHLAMLJPFKJNDV-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nnc2n1CCN(Cc1nc(-c3nnn[n-]3)cs1)[C@@H]2C ZINC001581615488 1165852247 /nfs/dbraw/zinc/85/22/47/1165852247.db2.gz XVUZKKKONPALCI-SSDOTTSWSA-N -1 1 317.382 0.800 20 0 DCADMM Cc1nnc2n1CCN(Cc1nc(-c3nn[n-]n3)cs1)[C@@H]2C ZINC001581615488 1165852254 /nfs/dbraw/zinc/85/22/54/1165852254.db2.gz XVUZKKKONPALCI-SSDOTTSWSA-N -1 1 317.382 0.800 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2CCCNC2=O)c1-c1nnn[n-]1 ZINC001581686640 1165860132 /nfs/dbraw/zinc/86/01/32/1165860132.db2.gz IMPBXRMLYNHLJT-LURJTMIESA-N -1 1 322.354 0.032 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2CCCNC2=O)c1-c1nn[n-]n1 ZINC001581686640 1165860137 /nfs/dbraw/zinc/86/01/37/1165860137.db2.gz IMPBXRMLYNHLJT-LURJTMIESA-N -1 1 322.354 0.032 20 0 DCADMM Cn1c(=O)cc(Sc2cccc(F)c2-c2nn[n-]n2)[nH]c1=O ZINC001581748765 1165864665 /nfs/dbraw/zinc/86/46/65/1165864665.db2.gz TWDDQVQWFWPTPZ-UHFFFAOYSA-N -1 1 320.309 0.956 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H](CO)[C@@H]2C)c1-c1nnn[n-]1 ZINC001581739286 1165864931 /nfs/dbraw/zinc/86/49/31/1165864931.db2.gz ONBXQINFNQYBPQ-WPRPVWTQSA-N -1 1 320.353 0.325 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H](CO)[C@@H]2C)c1-c1nn[n-]n1 ZINC001581739286 1165864936 /nfs/dbraw/zinc/86/49/36/1165864936.db2.gz ONBXQINFNQYBPQ-WPRPVWTQSA-N -1 1 320.353 0.325 20 0 DCADMM Cn1ccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)cs2)n1 ZINC001581776701 1165874440 /nfs/dbraw/zinc/87/44/40/1165874440.db2.gz RPVKWLUHXQZHBP-UHFFFAOYSA-N -1 1 313.350 0.969 20 0 DCADMM Cn1ccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)cs2)n1 ZINC001581776701 1165874447 /nfs/dbraw/zinc/87/44/47/1165874447.db2.gz RPVKWLUHXQZHBP-UHFFFAOYSA-N -1 1 313.350 0.969 20 0 DCADMM Cn1cnc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)n1 ZINC001581807617 1165879702 /nfs/dbraw/zinc/87/97/02/1165879702.db2.gz CRUITEWHTBSEHW-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM Cn1cnc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)n1 ZINC001581807617 1165879709 /nfs/dbraw/zinc/87/97/09/1165879709.db2.gz CRUITEWHTBSEHW-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM Cn1nccc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001581837374 1165886448 /nfs/dbraw/zinc/88/64/48/1165886448.db2.gz DWRSSEOGGHEHTQ-UHFFFAOYSA-N -1 1 315.341 0.804 20 0 DCADMM Cn1nccc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001581837374 1165886450 /nfs/dbraw/zinc/88/64/50/1165886450.db2.gz DWRSSEOGGHEHTQ-UHFFFAOYSA-N -1 1 315.341 0.804 20 0 DCADMM NS(=O)(=O)C[C@H]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001581907677 1165910058 /nfs/dbraw/zinc/91/00/58/1165910058.db2.gz KXIOUIQXIZOEFT-DTWKUNHWSA-N -1 1 323.382 0.131 20 0 DCADMM NS(=O)(=O)C[C@H]1CC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001581907677 1165910065 /nfs/dbraw/zinc/91/00/65/1165910065.db2.gz KXIOUIQXIZOEFT-DTWKUNHWSA-N -1 1 323.382 0.131 20 0 DCADMM O=C(CC1CC1)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001581970878 1165927246 /nfs/dbraw/zinc/92/72/46/1165927246.db2.gz UCLNZDQNTWTLPZ-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(CC1CC1)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001581969862 1165927290 /nfs/dbraw/zinc/92/72/90/1165927290.db2.gz IVQXOLOSWCBVMR-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(CC1CC1)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001581969862 1165927297 /nfs/dbraw/zinc/92/72/97/1165927297.db2.gz IVQXOLOSWCBVMR-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2)[C@H]1CCOC1 ZINC001582185142 1165979411 /nfs/dbraw/zinc/97/94/11/1165979411.db2.gz BMAADYJFBMMTJS-JTQLQIEISA-N -1 1 315.333 0.123 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)c1cc(F)ccc1F ZINC001582198036 1165981436 /nfs/dbraw/zinc/98/14/36/1165981436.db2.gz KALADMZWSMRHTH-UHFFFAOYSA-N -1 1 318.243 0.585 20 0 DCADMM O=C(N[C@@H]1CCC2(C1)OCCO2)c1ccsc1-c1nnn[n-]1 ZINC001582277284 1165995692 /nfs/dbraw/zinc/99/56/92/1165995692.db2.gz WGPPTCLXTYGQOV-MRVPVSSYSA-N -1 1 321.362 0.954 20 0 DCADMM O=C(N[C@@H]1CCC2(C1)OCCO2)c1ccsc1-c1nn[n-]n1 ZINC001582277284 1165995696 /nfs/dbraw/zinc/99/56/96/1165995696.db2.gz WGPPTCLXTYGQOV-MRVPVSSYSA-N -1 1 321.362 0.954 20 0 DCADMM O=C(NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)C1CC1 ZINC001582398280 1166011953 /nfs/dbraw/zinc/01/19/53/1166011953.db2.gz CWZMPUDFGNRHLS-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)C1CC1 ZINC001582398280 1166011960 /nfs/dbraw/zinc/01/19/60/1166011960.db2.gz CWZMPUDFGNRHLS-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001582463759 1166023561 /nfs/dbraw/zinc/02/35/61/1166023561.db2.gz XZZWRVUFZJGKEP-SECBINFHSA-N -1 1 314.353 0.009 20 0 DCADMM O=C(NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001582463759 1166023567 /nfs/dbraw/zinc/02/35/67/1166023567.db2.gz XZZWRVUFZJGKEP-SECBINFHSA-N -1 1 314.353 0.009 20 0 DCADMM O=C(NCCc1cn[nH]c1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582527077 1166033652 /nfs/dbraw/zinc/03/36/52/1166033652.db2.gz NONYHLCOESUFOG-UHFFFAOYSA-N -1 1 319.275 0.841 20 0 DCADMM O=C(NCCc1cn[nH]c1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582527077 1166033658 /nfs/dbraw/zinc/03/36/58/1166033658.db2.gz NONYHLCOESUFOG-UHFFFAOYSA-N -1 1 319.275 0.841 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1COCCO1 ZINC001582549981 1166038986 /nfs/dbraw/zinc/03/89/86/1166038986.db2.gz OJARSGCMGHMXBR-MRVPVSSYSA-N -1 1 324.366 0.143 20 0 DCADMM O=C(NCc1cnc(Cl)cn1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582557036 1166041004 /nfs/dbraw/zinc/04/10/04/1166041004.db2.gz PNBKUKXKWOMYJK-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(NCc1cnc(Cl)cn1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582557036 1166041012 /nfs/dbraw/zinc/04/10/12/1166041012.db2.gz PNBKUKXKWOMYJK-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NCc1ccncn1 ZINC001582557007 1166041667 /nfs/dbraw/zinc/04/16/67/1166041667.db2.gz OCCIAQAXDDKCMC-UHFFFAOYSA-N -1 1 317.338 0.113 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NCc1ccncn1 ZINC001582557007 1166041675 /nfs/dbraw/zinc/04/16/75/1166041675.db2.gz OCCIAQAXDDKCMC-UHFFFAOYSA-N -1 1 317.338 0.113 20 0 DCADMM O=C(NOCc1cccnc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001582562873 1166047190 /nfs/dbraw/zinc/04/71/90/1166047190.db2.gz SWTSTZJRWZITGG-UHFFFAOYSA-N -1 1 312.293 0.910 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc2nsnc2c1 ZINC001582631734 1166057180 /nfs/dbraw/zinc/05/71/80/1166057180.db2.gz NWRHSOIOVBTIJH-UHFFFAOYSA-N -1 1 313.306 0.847 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc2nsnc2c1 ZINC001582631734 1166057187 /nfs/dbraw/zinc/05/71/87/1166057187.db2.gz NWRHSOIOVBTIJH-UHFFFAOYSA-N -1 1 313.306 0.847 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC(OCCO)CC1 ZINC001582745330 1166074686 /nfs/dbraw/zinc/07/46/86/1166074686.db2.gz ZSRKSYDGENVRGI-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM O=C1[C@@H](NCc2nc(-c3nn[n-]n3)cs2)C[C@H]2CCCCN12 ZINC001582755709 1166076042 /nfs/dbraw/zinc/07/60/42/1166076042.db2.gz DCVDNXMKTUJHJQ-BDAKNGLRSA-N -1 1 319.394 0.566 20 0 DCADMM O=C1CN(c2ncncc2-c2nn[n-]n2)CN1Cc1ccccc1 ZINC001582777459 1166079728 /nfs/dbraw/zinc/07/97/28/1166079728.db2.gz YUBAUKODRTZHMX-UHFFFAOYSA-N -1 1 322.332 0.463 20 0 DCADMM O=S1(=O)CCN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H]2CCC[C@@H]21 ZINC001582802306 1166086447 /nfs/dbraw/zinc/08/64/47/1166086447.db2.gz OPSHQTCOCRWAGT-PWSUYJOCSA-N -1 1 323.378 0.611 20 0 DCADMM O=S1(=O)CCN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H]2CCC[C@@H]21 ZINC001582802306 1166086448 /nfs/dbraw/zinc/08/64/48/1166086448.db2.gz OPSHQTCOCRWAGT-PWSUYJOCSA-N -1 1 323.378 0.611 20 0 DCADMM O=c1cc(CNc2cc(-c3nnn[n-]3)ncn2)nc2ccccn12 ZINC001582806378 1166086572 /nfs/dbraw/zinc/08/65/72/1166086572.db2.gz AGFBQNIKTSRVPK-UHFFFAOYSA-N -1 1 321.304 0.277 20 0 DCADMM O=c1cc(CNc2cc(-c3nn[n-]n3)ncn2)nc2ccccn12 ZINC001582806378 1166086579 /nfs/dbraw/zinc/08/65/79/1166086579.db2.gz AGFBQNIKTSRVPK-UHFFFAOYSA-N -1 1 321.304 0.277 20 0 DCADMM OC[C@H](CNc1cc(-c2nnn[n-]2)ncn1)c1ccc(F)cc1 ZINC001582810178 1166089252 /nfs/dbraw/zinc/08/92/52/1166089252.db2.gz DACLWXWCIVKPNG-JTQLQIEISA-N -1 1 315.312 0.984 20 0 DCADMM OC[C@H](CNc1cc(-c2nn[n-]n2)ncn1)c1ccc(F)cc1 ZINC001582810178 1166089258 /nfs/dbraw/zinc/08/92/58/1166089258.db2.gz DACLWXWCIVKPNG-JTQLQIEISA-N -1 1 315.312 0.984 20 0 DCADMM Nc1nnc(CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)s1 ZINC001586104949 1166479003 /nfs/dbraw/zinc/47/90/03/1166479003.db2.gz 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ZINC001588810777 1166593919 /nfs/dbraw/zinc/59/39/19/1166593919.db2.gz JVLAWSKAGZBRIH-SNVBAGLBSA-N -1 1 318.337 0.400 20 0 DCADMM CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001588810777 1166593925 /nfs/dbraw/zinc/59/39/25/1166593925.db2.gz JVLAWSKAGZBRIH-SNVBAGLBSA-N -1 1 318.337 0.400 20 0 DCADMM CC(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588818608 1166597236 /nfs/dbraw/zinc/59/72/36/1166597236.db2.gz LSDNDEHFCCVMAW-LLVKDONJSA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588818608 1166597242 /nfs/dbraw/zinc/59/72/42/1166597242.db2.gz LSDNDEHFCCVMAW-LLVKDONJSA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588813232 1166597788 /nfs/dbraw/zinc/59/77/88/1166597788.db2.gz VCXHHXAJKZZNII-WCBMZHEXSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588813232 1166597792 /nfs/dbraw/zinc/59/77/92/1166597792.db2.gz VCXHHXAJKZZNII-WCBMZHEXSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CCN(C(=O)c2ccsc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588822565 1166600360 /nfs/dbraw/zinc/60/03/60/1166600360.db2.gz FIPOJAXBMQOCGD-QMMMGPOBSA-N -1 1 320.378 0.621 20 0 DCADMM CC(=O)N1CCN(C(=O)c2ccsc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588822565 1166600366 /nfs/dbraw/zinc/60/03/66/1166600366.db2.gz FIPOJAXBMQOCGD-QMMMGPOBSA-N -1 1 320.378 0.621 20 0 DCADMM CC(=O)NC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001588839349 1166603427 /nfs/dbraw/zinc/60/34/27/1166603427.db2.gz DTUZKBSSSFRNHI-UHFFFAOYSA-N -1 1 318.337 0.637 20 0 DCADMM CC(=O)NC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001588839349 1166603433 /nfs/dbraw/zinc/60/34/33/1166603433.db2.gz DTUZKBSSSFRNHI-UHFFFAOYSA-N -1 1 318.337 0.637 20 0 DCADMM CC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001588872538 1166613381 /nfs/dbraw/zinc/61/33/81/1166613381.db2.gz XYJKLPVLDCWPCE-APPZFPTMSA-N -1 1 307.383 0.735 20 0 DCADMM C[C@H](C(=O)N(C)Cc1cccs1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943470 1166621499 /nfs/dbraw/zinc/62/14/99/1166621499.db2.gz PHNYKUDLGDXRPQ-MRVPVSSYSA-N -1 1 318.366 0.739 20 0 DCADMM CC(C)C(C)(C)CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588980128 1166624810 /nfs/dbraw/zinc/62/48/10/1166624810.db2.gz VFIAFRHDJUIPSP-SECBINFHSA-N -1 1 306.374 0.818 20 0 DCADMM C[C@H](C(=O)NCCCOC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588992255 1166625968 /nfs/dbraw/zinc/62/59/68/1166625968.db2.gz YXVRPQWWGVCRLG-SECBINFHSA-N -1 1 322.373 0.341 20 0 DCADMM C[C@H](C(=O)OCC(C1CC1)C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589025829 1166629265 /nfs/dbraw/zinc/62/92/65/1166629265.db2.gz FQTSIPJFGNQSFF-MRVPVSSYSA-N -1 1 317.353 0.999 20 0 DCADMM C[C@H](C(=O)Nc1ccc(F)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589016151 1166629670 /nfs/dbraw/zinc/62/96/70/1166629670.db2.gz YWGRVAQELVLPIH-SSDOTTSWSA-N -1 1 302.273 0.797 20 0 DCADMM C[C@@H](C(=O)OC[C@@H]1CCCCS1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028878 1166630221 /nfs/dbraw/zinc/63/02/21/1166630221.db2.gz ZHHOKBOZIMRBFL-IUCAKERBSA-N -1 1 323.382 0.848 20 0 DCADMM C[C@H](C(=O)OCCC[C@H]1CCOC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028675 1166631759 /nfs/dbraw/zinc/63/17/59/1166631759.db2.gz XSLSCEXURJQDHH-ZJUUUORDSA-N -1 1 321.341 0.379 20 0 DCADMM CC(C)(C)CNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589129784 1166634589 /nfs/dbraw/zinc/63/45/89/1166634589.db2.gz ZJJWWAHZFJLMQO-UHFFFAOYSA-N -1 1 318.337 0.581 20 0 DCADMM CC(C)(C)CNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589129784 1166634594 /nfs/dbraw/zinc/63/45/94/1166634594.db2.gz ZJJWWAHZFJLMQO-UHFFFAOYSA-N -1 1 318.337 0.581 20 0 DCADMM CC(C)(C)CC(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001589116329 1166634901 /nfs/dbraw/zinc/63/49/01/1166634901.db2.gz NTKKDIWPMYOZPT-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CC(C)(C)CC(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001589116329 1166634908 /nfs/dbraw/zinc/63/49/08/1166634908.db2.gz NTKKDIWPMYOZPT-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CC(C)(C)/C=C/C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001589111126 1166635864 /nfs/dbraw/zinc/63/58/64/1166635864.db2.gz NWWZZDVSCJVZCP-SNAWJCMRSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)/C=C/C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001589111126 1166635866 /nfs/dbraw/zinc/63/58/66/1166635866.db2.gz NWWZZDVSCJVZCP-SNAWJCMRSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)OC(=O)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589149356 1166636804 /nfs/dbraw/zinc/63/68/04/1166636804.db2.gz OYWPEBCVQYDYLR-VIFPVBQESA-N -1 1 317.353 0.825 20 0 DCADMM CC(C)(C)OC(=O)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589149356 1166636806 /nfs/dbraw/zinc/63/68/06/1166636806.db2.gz OYWPEBCVQYDYLR-VIFPVBQESA-N -1 1 317.353 0.825 20 0 DCADMM CC(C)(C)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1=O ZINC001589137354 1166637016 /nfs/dbraw/zinc/63/70/16/1166637016.db2.gz ZEEAPGDFPQLMGN-SECBINFHSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(C)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1=O ZINC001589137354 1166637022 /nfs/dbraw/zinc/63/70/22/1166637022.db2.gz ZEEAPGDFPQLMGN-SECBINFHSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(CO)Cc1cn(Cc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001589299992 1166644719 /nfs/dbraw/zinc/64/47/19/1166644719.db2.gz XMPPGUYCIVSPCM-UHFFFAOYSA-N -1 1 320.382 0.524 20 0 DCADMM CC(C)(CO)Cc1cn(Cc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001589299992 1166644721 /nfs/dbraw/zinc/64/47/21/1166644721.db2.gz XMPPGUYCIVSPCM-UHFFFAOYSA-N -1 1 320.382 0.524 20 0 DCADMM CC(C)(O)[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001589327904 1166646212 /nfs/dbraw/zinc/64/62/12/1166646212.db2.gz PRBPRFLHGCAAAO-SECBINFHSA-N -1 1 302.338 0.495 20 0 DCADMM CC(C)(O)[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001589327904 1166646218 /nfs/dbraw/zinc/64/62/18/1166646218.db2.gz PRBPRFLHGCAAAO-SECBINFHSA-N -1 1 302.338 0.495 20 0 DCADMM CC(C)=CC(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589369934 1166651484 /nfs/dbraw/zinc/65/14/84/1166651484.db2.gz HSXOPEVXCUFDRN-UHFFFAOYSA-N -1 1 302.342 0.541 20 0 DCADMM CC(C)=CC(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589369934 1166651489 /nfs/dbraw/zinc/65/14/89/1166651489.db2.gz HSXOPEVXCUFDRN-UHFFFAOYSA-N -1 1 302.342 0.541 20 0 DCADMM CC(C)C(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001589401283 1166653437 /nfs/dbraw/zinc/65/34/37/1166653437.db2.gz IYAVQDFBQIHOPE-BDAKNGLRSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001589401283 1166653442 /nfs/dbraw/zinc/65/34/42/1166653442.db2.gz IYAVQDFBQIHOPE-BDAKNGLRSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001589401288 1166655008 /nfs/dbraw/zinc/65/50/08/1166655008.db2.gz IYAVQDFBQIHOPE-IUCAKERBSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001589401288 1166655015 /nfs/dbraw/zinc/65/50/15/1166655015.db2.gz IYAVQDFBQIHOPE-IUCAKERBSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589405380 1166657317 /nfs/dbraw/zinc/65/73/17/1166657317.db2.gz CFVLTGTWGBSADS-UHFFFAOYSA-N -1 1 306.326 0.304 20 0 DCADMM CC(C)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589405380 1166657320 /nfs/dbraw/zinc/65/73/20/1166657320.db2.gz CFVLTGTWGBSADS-UHFFFAOYSA-N -1 1 306.326 0.304 20 0 DCADMM CC(C)C[C@H](C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001589550616 1166666866 /nfs/dbraw/zinc/66/68/66/1166666866.db2.gz NHIUUECXWPORFK-JTQLQIEISA-N -1 1 319.369 0.316 20 0 DCADMM CC(C)CO[C@@H]1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001589640173 1166670479 /nfs/dbraw/zinc/67/04/79/1166670479.db2.gz CMYIHXDRDCIOCH-GFCCVEGCSA-N -1 1 318.381 0.733 20 0 DCADMM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589730656 1166679759 /nfs/dbraw/zinc/67/97/59/1166679759.db2.gz LNVUBHVRUOIFAB-QMMMGPOBSA-N -1 1 307.310 0.872 20 0 DCADMM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589730656 1166679764 /nfs/dbraw/zinc/67/97/64/1166679764.db2.gz LNVUBHVRUOIFAB-QMMMGPOBSA-N -1 1 307.310 0.872 20 0 DCADMM CC(C)OC[C@H](O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589745714 1166680540 /nfs/dbraw/zinc/68/05/40/1166680540.db2.gz BAZOIGQMJLUPJM-QMMMGPOBSA-N -1 1 312.351 0.871 20 0 DCADMM CC(C)OC[C@H](O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589745714 1166680545 /nfs/dbraw/zinc/68/05/45/1166680545.db2.gz BAZOIGQMJLUPJM-QMMMGPOBSA-N -1 1 312.351 0.871 20 0 DCADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)(C)O ZINC001589764142 1166683910 /nfs/dbraw/zinc/68/39/10/1166683910.db2.gz WKNNEJCIUKXNMX-VIFPVBQESA-N -1 1 322.373 0.517 20 0 DCADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)(C)O ZINC001589764142 1166683915 /nfs/dbraw/zinc/68/39/15/1166683915.db2.gz WKNNEJCIUKXNMX-VIFPVBQESA-N -1 1 322.373 0.517 20 0 DCADMM CC(C)[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589763377 1166684050 /nfs/dbraw/zinc/68/40/50/1166684050.db2.gz HGSILPAVJNMZMY-GXSJLCMTSA-N -1 1 308.367 0.585 20 0 DCADMM CC(C)[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589763377 1166684054 /nfs/dbraw/zinc/68/40/54/1166684054.db2.gz HGSILPAVJNMZMY-GXSJLCMTSA-N -1 1 308.367 0.585 20 0 DCADMM C[C@@H](CC1CCC1)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589802409 1166689653 /nfs/dbraw/zinc/68/96/53/1166689653.db2.gz VZRYLESBJKNMAQ-VIFPVBQESA-N -1 1 319.373 0.336 20 0 DCADMM C[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)c1ncon1 ZINC001589865900 1166701764 /nfs/dbraw/zinc/70/17/64/1166701764.db2.gz ZQUHPTLBBIWYJP-ZETCQYMHSA-N -1 1 300.282 0.178 20 0 DCADMM C[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)c1ncon1 ZINC001589865900 1166701771 /nfs/dbraw/zinc/70/17/71/1166701771.db2.gz ZQUHPTLBBIWYJP-ZETCQYMHSA-N -1 1 300.282 0.178 20 0 DCADMM C[C@@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)c1nncn1C ZINC001589868060 1166703192 /nfs/dbraw/zinc/70/31/92/1166703192.db2.gz JIFPQFMUARTYPQ-ZETCQYMHSA-N -1 1 318.366 0.590 20 0 DCADMM C[C@@H](CO)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589885515 1166709253 /nfs/dbraw/zinc/70/92/53/1166709253.db2.gz ATCFFIYOWWJRJC-GXFFZTMASA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](CO)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589885515 1166709259 /nfs/dbraw/zinc/70/92/59/1166709259.db2.gz ATCFFIYOWWJRJC-GXFFZTMASA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589904304 1166714566 /nfs/dbraw/zinc/71/45/66/1166714566.db2.gz LPVGXGRNDGERKN-ZETCQYMHSA-N -1 1 301.314 0.141 20 0 DCADMM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589904304 1166714569 /nfs/dbraw/zinc/71/45/69/1166714569.db2.gz LPVGXGRNDGERKN-ZETCQYMHSA-N -1 1 301.314 0.141 20 0 DCADMM C[C@@H]([N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1)C(F)(F)F ZINC001589975957 1166735769 /nfs/dbraw/zinc/73/57/69/1166735769.db2.gz GLWXGSALVJAZJP-RXMQYKEDSA-N -1 1 322.272 0.491 20 0 DCADMM C[C@@H](O)[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001589994453 1166740614 /nfs/dbraw/zinc/74/06/14/1166740614.db2.gz GMYWBKQBJSKSQS-KCJUWKMLSA-N -1 1 317.353 0.120 20 0 DCADMM C[C@@H](O)[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001589994453 1166740618 /nfs/dbraw/zinc/74/06/18/1166740618.db2.gz GMYWBKQBJSKSQS-KCJUWKMLSA-N -1 1 317.353 0.120 20 0 DCADMM C[C@@H](O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001589993777 1166741033 /nfs/dbraw/zinc/74/10/33/1166741033.db2.gz ASXRHUQTABKNSC-ZCFIWIBFSA-N -1 1 315.380 0.120 20 0 DCADMM C[C@@H](O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001589993777 1166741039 /nfs/dbraw/zinc/74/10/39/1166741039.db2.gz ASXRHUQTABKNSC-ZCFIWIBFSA-N -1 1 315.380 0.120 20 0 DCADMM C[C@H](O)[C@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001589996110 1166744401 /nfs/dbraw/zinc/74/44/01/1166744401.db2.gz PWNNFCPYKPZHHC-IUCAKERBSA-N -1 1 305.313 0.849 20 0 DCADMM C[C@H](O)[C@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001589996110 1166744408 /nfs/dbraw/zinc/74/44/08/1166744408.db2.gz PWNNFCPYKPZHHC-IUCAKERBSA-N -1 1 305.313 0.849 20 0 DCADMM C[C@@H](O)CN(C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001590001344 1166748769 /nfs/dbraw/zinc/74/87/69/1166748769.db2.gz XIYDHMARFKXRLZ-MRVPVSSYSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@@H](O)CN(C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001590001344 1166748773 /nfs/dbraw/zinc/74/87/73/1166748773.db2.gz XIYDHMARFKXRLZ-MRVPVSSYSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ncnn1C ZINC001590010283 1166753599 /nfs/dbraw/zinc/75/35/99/1166753599.db2.gz OLJAGVHIWCNJCS-ZETCQYMHSA-N -1 1 300.282 0.308 20 0 DCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ncnn1C ZINC001590010283 1166753602 /nfs/dbraw/zinc/75/36/02/1166753602.db2.gz OLJAGVHIWCNJCS-ZETCQYMHSA-N -1 1 300.282 0.308 20 0 DCADMM C[C@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCNC(=O)C1 ZINC001590069097 1166762942 /nfs/dbraw/zinc/76/29/42/1166762942.db2.gz GUEWVGWFKNYVHQ-AWEZNQCLSA-N -1 1 316.321 0.427 20 0 DCADMM CC1(C)C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)CO1 ZINC001590082327 1166769070 /nfs/dbraw/zinc/76/90/70/1166769070.db2.gz BQGHCMFVPCAVHU-MRVPVSSYSA-N -1 1 303.326 0.951 20 0 DCADMM CC1(C)C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)CO1 ZINC001590082327 1166769076 /nfs/dbraw/zinc/76/90/76/1166769076.db2.gz BQGHCMFVPCAVHU-MRVPVSSYSA-N -1 1 303.326 0.951 20 0 DCADMM CC1(C)CC(=O)NCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590080541 1166769484 /nfs/dbraw/zinc/76/94/84/1166769484.db2.gz MNVWZEDMFMLGHX-UHFFFAOYSA-N -1 1 307.383 0.424 20 0 DCADMM CC1(C)CC(=O)NCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590080541 1166769488 /nfs/dbraw/zinc/76/94/88/1166769488.db2.gz MNVWZEDMFMLGHX-UHFFFAOYSA-N -1 1 307.383 0.424 20 0 DCADMM CC1=C[C@H](C)CN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590157052 1166792511 /nfs/dbraw/zinc/79/25/11/1166792511.db2.gz LCCBMWOEZBJQJS-VIFPVBQESA-N -1 1 317.357 0.066 20 0 DCADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590167065 1166795162 /nfs/dbraw/zinc/79/51/62/1166795162.db2.gz JZSLUANFHLWILA-PXMPENCTSA-N -1 1 309.351 0.441 20 0 DCADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590167065 1166795170 /nfs/dbraw/zinc/79/51/70/1166795170.db2.gz JZSLUANFHLWILA-PXMPENCTSA-N -1 1 309.351 0.441 20 0 DCADMM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CO1 ZINC001590202392 1166813009 /nfs/dbraw/zinc/81/30/09/1166813009.db2.gz GWKSGMADFZYTNB-BQBZGAKWSA-N -1 1 308.729 0.822 20 0 DCADMM C[C@H]1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590245745 1166826067 /nfs/dbraw/zinc/82/60/67/1166826067.db2.gz ZFWJEOIOFABQPE-VHSXEESVSA-N -1 1 304.358 0.543 20 0 DCADMM C[C@H](C(=O)NC[C@H]1CCC[C@@H](C)O1)n1cnc(-c2nn[n-]n2)n1 ZINC001590245495 1166827703 /nfs/dbraw/zinc/82/77/03/1166827703.db2.gz YWDHOYXRWNMFRD-OPRDCNLKSA-N -1 1 320.357 0.093 20 0 DCADMM C[C@H]1CCCN(C(=O)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001590258233 1166829152 /nfs/dbraw/zinc/82/91/52/1166829152.db2.gz LKMKJZIOFNMKQM-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM C[C@H]1CCCN(C(=O)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001590258233 1166829159 /nfs/dbraw/zinc/82/91/59/1166829159.db2.gz LKMKJZIOFNMKQM-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@H](C)C1O ZINC001590292728 1166842626 /nfs/dbraw/zinc/84/26/26/1166842626.db2.gz OYVXIEMLHMHPKA-UWVGGRQHSA-N -1 1 316.365 0.280 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@H](C)C1O ZINC001590292728 1166842631 /nfs/dbraw/zinc/84/26/31/1166842631.db2.gz OYVXIEMLHMHPKA-UWVGGRQHSA-N -1 1 316.365 0.280 20 0 DCADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)ncn2)C[C@]2(CCOC2)O1 ZINC001590313927 1166856135 /nfs/dbraw/zinc/85/61/35/1166856135.db2.gz PAWHIIIEPMTMLO-ZANVPECISA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)ncn2)C[C@]2(CCOC2)O1 ZINC001590313927 1166856144 /nfs/dbraw/zinc/85/61/44/1166856144.db2.gz PAWHIIIEPMTMLO-ZANVPECISA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)CCCO1 ZINC001590311965 1166856256 /nfs/dbraw/zinc/85/62/56/1166856256.db2.gz FYIMFYMPKMODPS-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM C[C@H](C(=O)N1c2ccccc2C[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590331640 1166868211 /nfs/dbraw/zinc/86/82/11/1166868211.db2.gz PLQWMSSCPULAAP-NXEZZACHSA-N -1 1 324.348 0.997 20 0 DCADMM C[C@@H]1NC(=O)N(CCSc2cccnc2-c2nnn[n-]2)C1=O ZINC001590332175 1166869061 /nfs/dbraw/zinc/86/90/61/1166869061.db2.gz VZJDBNOERHMKOP-ZETCQYMHSA-N -1 1 319.350 0.294 20 0 DCADMM C[C@@H]1NC(=O)N(CCSc2cccnc2-c2nn[n-]n2)C1=O ZINC001590332175 1166869067 /nfs/dbraw/zinc/86/90/67/1166869067.db2.gz VZJDBNOERHMKOP-ZETCQYMHSA-N -1 1 319.350 0.294 20 0 DCADMM C/C=C(/C)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590345026 1166879963 /nfs/dbraw/zinc/87/99/63/1166879963.db2.gz HBZMPYRXAHPIEE-FWAPLPHYSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(/C)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590345026 1166879965 /nfs/dbraw/zinc/87/99/65/1166879965.db2.gz HBZMPYRXAHPIEE-FWAPLPHYSA-N -1 1 316.369 0.930 20 0 DCADMM CCC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590360394 1166883665 /nfs/dbraw/zinc/88/36/65/1166883665.db2.gz YEFKKTDDLORHRE-VIFPVBQESA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590360394 1166883675 /nfs/dbraw/zinc/88/36/75/1166883675.db2.gz YEFKKTDDLORHRE-VIFPVBQESA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590360708 1166883939 /nfs/dbraw/zinc/88/39/39/1166883939.db2.gz GKZVBWDZIMZBCN-VIFPVBQESA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590360708 1166883949 /nfs/dbraw/zinc/88/39/49/1166883949.db2.gz GKZVBWDZIMZBCN-VIFPVBQESA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001590364184 1166887921 /nfs/dbraw/zinc/88/79/21/1166887921.db2.gz GORRJMSXRFPZSU-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM CCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001590364184 1166887924 /nfs/dbraw/zinc/88/79/24/1166887924.db2.gz GORRJMSXRFPZSU-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM CCC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001590364336 1166888858 /nfs/dbraw/zinc/88/88/58/1166888858.db2.gz XIVFOCCXFZLRKD-JTQLQIEISA-N -1 1 304.358 0.619 20 0 DCADMM CCC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001590364336 1166888865 /nfs/dbraw/zinc/88/88/65/1166888865.db2.gz XIVFOCCXFZLRKD-JTQLQIEISA-N -1 1 304.358 0.619 20 0 DCADMM CC/C(C)=C/C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001590389330 1166894521 /nfs/dbraw/zinc/89/45/21/1166894521.db2.gz RGXBSIBQSCQRLV-RMKNXTFCSA-N -1 1 302.342 0.541 20 0 DCADMM CC/C(C)=C/C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001590389330 1166894528 /nfs/dbraw/zinc/89/45/28/1166894528.db2.gz RGXBSIBQSCQRLV-RMKNXTFCSA-N -1 1 302.342 0.541 20 0 DCADMM CC[C@](C)(NC(=O)c1csc(-c2nn[n-]n2)c1)C(=O)OC ZINC001590382452 1166894854 /nfs/dbraw/zinc/89/48/54/1166894854.db2.gz OANKTYVINSIPJW-LBPRGKRZSA-N -1 1 309.351 1.000 20 0 DCADMM CC[C@](C)(O)c1cn(Cc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001590383438 1166895904 /nfs/dbraw/zinc/89/59/04/1166895904.db2.gz DJIUIYYXGYDSIK-ZDUSSCGKSA-N -1 1 300.326 0.519 20 0 DCADMM CC[C@](C)(O)c1cn(Cc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001590383438 1166895913 /nfs/dbraw/zinc/89/59/13/1166895913.db2.gz DJIUIYYXGYDSIK-ZDUSSCGKSA-N -1 1 300.326 0.519 20 0 DCADMM CC[C@@H](C)[C@](C)(O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590395596 1166896997 /nfs/dbraw/zinc/89/69/97/1166896997.db2.gz BJULDDILOQMVDS-MEBBXXQBSA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@@H](C)[C@](C)(O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590395596 1166897000 /nfs/dbraw/zinc/89/70/00/1166897000.db2.gz BJULDDILOQMVDS-MEBBXXQBSA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@@H](C)CCNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590409184 1166901282 /nfs/dbraw/zinc/90/12/82/1166901282.db2.gz DYYKRVMUVPZRQA-SECBINFHSA-N -1 1 310.383 0.976 20 0 DCADMM CCC(CC)(CC)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590427221 1166903251 /nfs/dbraw/zinc/90/32/51/1166903251.db2.gz VMDSCQWFYNCYSQ-UHFFFAOYSA-N -1 1 321.389 0.726 20 0 DCADMM CCC(CC)(CCO)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590427048 1166903729 /nfs/dbraw/zinc/90/37/29/1166903729.db2.gz PTBYIYGYVUVXGN-UHFFFAOYSA-N -1 1 304.354 0.933 20 0 DCADMM CCC(CC)(CCO)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590427048 1166903733 /nfs/dbraw/zinc/90/37/33/1166903733.db2.gz PTBYIYGYVUVXGN-UHFFFAOYSA-N -1 1 304.354 0.933 20 0 DCADMM CC[C@@H](F)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590453590 1166910524 /nfs/dbraw/zinc/91/05/24/1166910524.db2.gz PAUFNZSXSJAXMF-CDAZIORVSA-N -1 1 320.332 0.489 20 0 DCADMM CC[C@@H](F)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590453590 1166910527 /nfs/dbraw/zinc/91/05/27/1166910527.db2.gz PAUFNZSXSJAXMF-CDAZIORVSA-N -1 1 320.332 0.489 20 0 DCADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](O)C(F)F ZINC001590460416 1166914545 /nfs/dbraw/zinc/91/45/45/1166914545.db2.gz WLCSRSMCAHXHEH-APPZFPTMSA-N -1 1 312.280 0.396 20 0 DCADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](O)C(F)F ZINC001590460416 1166914551 /nfs/dbraw/zinc/91/45/51/1166914551.db2.gz WLCSRSMCAHXHEH-APPZFPTMSA-N -1 1 312.280 0.396 20 0 DCADMM CC[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)NC ZINC001590459779 1166915787 /nfs/dbraw/zinc/91/57/87/1166915787.db2.gz QEHBQAQGILGKOA-VIFPVBQESA-N -1 1 306.301 0.260 20 0 DCADMM CC[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)NC ZINC001590459779 1166915793 /nfs/dbraw/zinc/91/57/93/1166915793.db2.gz QEHBQAQGILGKOA-VIFPVBQESA-N -1 1 306.301 0.260 20 0 DCADMM CC[C@](O)(Cn1cnc(-c2nn[n-]n2)cc1=O)C(F)(F)F 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1 304.354 0.485 20 0 DCADMM CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590522787 1166934911 /nfs/dbraw/zinc/93/49/11/1166934911.db2.gz HJVNBRYPNJFCCJ-OPRDCNLKSA-N -1 1 320.357 0.045 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590536537 1166935947 /nfs/dbraw/zinc/93/59/47/1166935947.db2.gz LBPBPONMGCQGQW-SECBINFHSA-N -1 1 304.358 0.398 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590536537 1166935954 /nfs/dbraw/zinc/93/59/54/1166935954.db2.gz LBPBPONMGCQGQW-SECBINFHSA-N -1 1 304.358 0.398 20 0 DCADMM CCCC(=O)NCCCN(CC)c1nccnc1-c1nnn[n-]1 ZINC001590538022 1166938768 /nfs/dbraw/zinc/93/87/68/1166938768.db2.gz OLXFOUJZGCJAGK-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCC(=O)NCCCN(CC)c1nccnc1-c1nn[n-]n1 ZINC001590538022 1166938775 /nfs/dbraw/zinc/93/87/75/1166938775.db2.gz OLXFOUJZGCJAGK-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCC(=O)NCCCN(CC)c1cnc(-c2nnn[n-]2)cn1 ZINC001590538050 1166940516 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CCCn1cc(CNc2cc(-c3nnn[n-]3)nc(CC)n2)nn1 ZINC001590663923 1166963375 /nfs/dbraw/zinc/96/33/75/1166963375.db2.gz CTVVOTORDLBSQM-UHFFFAOYSA-N -1 1 314.357 0.833 20 0 DCADMM CCCn1cc(CNc2cc(-c3nn[n-]n3)nc(CC)n2)nn1 ZINC001590663923 1166963379 /nfs/dbraw/zinc/96/33/79/1166963379.db2.gz CTVVOTORDLBSQM-UHFFFAOYSA-N -1 1 314.357 0.833 20 0 DCADMM CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)c1cnn(C)c1 ZINC001590669871 1166966101 /nfs/dbraw/zinc/96/61/01/1166966101.db2.gz AWGJOACYJFCNRU-UHFFFAOYSA-N -1 1 316.325 0.492 20 0 DCADMM CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)c1cnn(C)c1 ZINC001590669871 1166966104 /nfs/dbraw/zinc/96/61/04/1166966104.db2.gz AWGJOACYJFCNRU-UHFFFAOYSA-N -1 1 316.325 0.492 20 0 DCADMM CCN(CCNC(=O)C=C(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC001590704175 1166978714 /nfs/dbraw/zinc/97/87/14/1166978714.db2.gz WOQBZCFADLMDSC-UHFFFAOYSA-N -1 1 316.369 0.565 20 0 DCADMM CCN(CCNC(=O)C=C(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC001590704175 1166978725 /nfs/dbraw/zinc/97/87/25/1166978725.db2.gz WOQBZCFADLMDSC-UHFFFAOYSA-N 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/nfs/dbraw/zinc/10/39/39/1167103939.db2.gz SMCGLHVZRSGTCL-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CN(c1cccnc1)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001591157630 1167119729 /nfs/dbraw/zinc/11/97/29/1167119729.db2.gz QFQRDGYIPJQCEB-UHFFFAOYSA-N -1 1 317.334 0.482 20 0 DCADMM CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591201223 1167148820 /nfs/dbraw/zinc/14/88/20/1167148820.db2.gz APSGKALTNAADRX-WCBMZHEXSA-N -1 1 318.337 0.413 20 0 DCADMM CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591201223 1167148825 /nfs/dbraw/zinc/14/88/25/1167148825.db2.gz APSGKALTNAADRX-WCBMZHEXSA-N -1 1 318.337 0.413 20 0 DCADMM CNC(=O)C1CCC(Nc2cccnc2-c2nnn[n-]2)CC1 ZINC001591201813 1167150379 /nfs/dbraw/zinc/15/03/79/1167150379.db2.gz KJUYABIHQXJWMR-UHFFFAOYSA-N -1 1 301.354 0.978 20 0 DCADMM CNC(=O)C1CCC(Nc2cccnc2-c2nn[n-]n2)CC1 ZINC001591201813 1167150382 /nfs/dbraw/zinc/15/03/82/1167150382.db2.gz KJUYABIHQXJWMR-UHFFFAOYSA-N -1 1 301.354 0.978 20 0 DCADMM CNC(=O)C[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591204736 1167154698 /nfs/dbraw/zinc/15/46/98/1167154698.db2.gz QYPUXVFRXFUMDD-BYPYZUCNSA-N -1 1 301.763 0.913 20 0 DCADMM CNC(=O)C[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591204736 1167154700 /nfs/dbraw/zinc/15/47/00/1167154700.db2.gz QYPUXVFRXFUMDD-BYPYZUCNSA-N -1 1 301.763 0.913 20 0 DCADMM COC(=O)[C@H](CNc1nccnc1-c1nnn[n-]1)CC1CC1 ZINC001591233728 1167170258 /nfs/dbraw/zinc/17/02/58/1167170258.db2.gz YGPIFQOSQXGEOG-VIFPVBQESA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)[C@H](CNc1nccnc1-c1nn[n-]n1)CC1CC1 ZINC001591233728 1167170261 /nfs/dbraw/zinc/17/02/61/1167170261.db2.gz YGPIFQOSQXGEOG-VIFPVBQESA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(C)C ZINC001591234460 1167170390 /nfs/dbraw/zinc/17/03/90/1167170390.db2.gz KDZDNGPPLRJXNW-JTQLQIEISA-N -1 1 304.310 0.189 20 0 DCADMM COC(=O)[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(C)C ZINC001591234460 1167170392 /nfs/dbraw/zinc/17/03/92/1167170392.db2.gz 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ZINC001591259098 1167183560 /nfs/dbraw/zinc/18/35/60/1167183560.db2.gz SQDQQXWTWWPXMN-ZETCQYMHSA-N -1 1 321.341 0.436 20 0 DCADMM COC(=O)C[C@@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001591258696 1167184141 /nfs/dbraw/zinc/18/41/41/1167184141.db2.gz OXKPMAOMMZVXFO-VIFPVBQESA-N -1 1 318.337 0.814 20 0 DCADMM COC(=O)C[C@@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001591258696 1167184145 /nfs/dbraw/zinc/18/41/45/1167184145.db2.gz OXKPMAOMMZVXFO-VIFPVBQESA-N -1 1 318.337 0.814 20 0 DCADMM COC(=O)C[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001591264322 1167185989 /nfs/dbraw/zinc/18/59/89/1167185989.db2.gz NWOQURJQICLNRK-LLVKDONJSA-N -1 1 318.337 0.026 20 0 DCADMM COC(=O)C[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001591264322 1167185993 /nfs/dbraw/zinc/18/59/93/1167185993.db2.gz NWOQURJQICLNRK-LLVKDONJSA-N -1 1 318.337 0.026 20 0 DCADMM COC(=O)C[C@@H]1CCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001591268126 1167189437 /nfs/dbraw/zinc/18/94/37/1167189437.db2.gz DYSTVLZQKWGVIA-DTWKUNHWSA-N -1 1 303.326 0.800 20 0 DCADMM COC(=O)C[C@@H]1CCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001591268126 1167189446 /nfs/dbraw/zinc/18/94/46/1167189446.db2.gz DYSTVLZQKWGVIA-DTWKUNHWSA-N -1 1 303.326 0.800 20 0 DCADMM COC(=O)N(C)CCCC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001591271222 1167190837 /nfs/dbraw/zinc/19/08/37/1167190837.db2.gz KHHZQCFKOHIECA-UHFFFAOYSA-N -1 1 322.329 0.315 20 0 DCADMM COC(=O)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001591270863 1167191010 /nfs/dbraw/zinc/19/10/10/1167191010.db2.gz NKELCCUUBMLVKG-UHFFFAOYSA-N -1 1 310.339 0.243 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001591284451 1167201189 /nfs/dbraw/zinc/20/11/89/1167201189.db2.gz LLNTVOBBOGJSDW-XPTSAGLGSA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001591284451 1167201199 /nfs/dbraw/zinc/20/11/99/1167201199.db2.gz LLNTVOBBOGJSDW-XPTSAGLGSA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC[C@H](C)C(C)=O)c1 ZINC001591286631 1167201498 /nfs/dbraw/zinc/20/14/98/1167201498.db2.gz NBPJBTDZDSRGSQ-QMMMGPOBSA-N -1 1 319.321 0.430 20 0 DCADMM COC(=O)c1ccc(NCC(C)(C)CO)c(-c2nnn[n-]2)n1 ZINC001591295977 1167203267 /nfs/dbraw/zinc/20/32/67/1167203267.db2.gz QIKRARKHLAKSOQ-UHFFFAOYSA-N -1 1 306.326 0.479 20 0 DCADMM COC(=O)c1ccc(NCC(C)(C)CO)c(-c2nn[n-]n2)n1 ZINC001591295977 1167203271 /nfs/dbraw/zinc/20/32/71/1167203271.db2.gz QIKRARKHLAKSOQ-UHFFFAOYSA-N -1 1 306.326 0.479 20 0 DCADMM COC(=O)c1ccc(NCc2cc[nH]n2)c(-c2nnn[n-]2)n1 ZINC001591296563 1167204107 /nfs/dbraw/zinc/20/41/07/1167204107.db2.gz UHRIHUSCSGHEQE-UHFFFAOYSA-N -1 1 300.282 0.384 20 0 DCADMM COC(=O)c1ccc(NCc2cc[nH]n2)c(-c2nn[n-]n2)n1 ZINC001591296563 1167204112 /nfs/dbraw/zinc/20/41/12/1167204112.db2.gz UHRIHUSCSGHEQE-UHFFFAOYSA-N -1 1 300.282 0.384 20 0 DCADMM COC(=O)c1ccoc1Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001591307035 1167207630 /nfs/dbraw/zinc/20/76/30/1167207630.db2.gz XBEPHXVJQZCMHJ-UHFFFAOYSA-N -1 1 315.289 0.765 20 0 DCADMM COC(=O)c1coc(CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001591308157 1167207676 /nfs/dbraw/zinc/20/76/76/1167207676.db2.gz XDMPUWUCGJXAPQ-UHFFFAOYSA-N -1 1 302.254 0.043 20 0 DCADMM COC(=O)c1coc(CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001591308157 1167207683 /nfs/dbraw/zinc/20/76/83/1167207683.db2.gz XDMPUWUCGJXAPQ-UHFFFAOYSA-N -1 1 302.254 0.043 20 0 DCADMM CO[C@](C)(C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001591313591 1167209860 /nfs/dbraw/zinc/20/98/60/1167209860.db2.gz CBCQYLUQFCFALU-AWEZNQCLSA-N -1 1 313.321 0.847 20 0 DCADMM CO[C@@H](CNC(=O)c1ccsc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC001591329534 1167217587 /nfs/dbraw/zinc/21/75/87/1167217587.db2.gz LHDAKRVDHAUXTK-SCZZXKLOSA-N -1 1 323.378 0.710 20 0 DCADMM CO[C@@H](CNC(=O)c1ccsc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC001591329534 1167217593 /nfs/dbraw/zinc/21/75/93/1167217593.db2.gz LHDAKRVDHAUXTK-SCZZXKLOSA-N -1 1 323.378 0.710 20 0 DCADMM CO[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)C(C)(C)C ZINC001591329519 1167218642 /nfs/dbraw/zinc/21/86/42/1167218642.db2.gz 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COC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC001591381557 1167251327 /nfs/dbraw/zinc/25/13/27/1167251327.db2.gz SDFYLTBFBQJQAQ-RKDXNWHRSA-N -1 1 323.378 0.852 20 0 DCADMM COC[C@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCOC1 ZINC001591385583 1167255693 /nfs/dbraw/zinc/25/56/93/1167255693.db2.gz BZUWJKIHNMPVDJ-CQSZACIVSA-N -1 1 319.321 0.564 20 0 DCADMM COC[C@]1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCOC1 ZINC001591387601 1167259389 /nfs/dbraw/zinc/25/93/89/1167259389.db2.gz ZSYVSMQKMUHULB-CYBMUJFWSA-N -1 1 308.294 0.556 20 0 DCADMM COC[C@]1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCOC1 ZINC001591387601 1167259396 /nfs/dbraw/zinc/25/93/96/1167259396.db2.gz ZSYVSMQKMUHULB-CYBMUJFWSA-N -1 1 308.294 0.556 20 0 DCADMM COC[C@H]1CCCN1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591393361 1167260753 /nfs/dbraw/zinc/26/07/53/1167260753.db2.gz AMTWTIQOQWJYEP-SECBINFHSA-N -1 1 318.341 0.409 20 0 DCADMM COC[C@H]1CCCN1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591393361 1167260759 /nfs/dbraw/zinc/26/07/59/1167260759.db2.gz AMTWTIQOQWJYEP-SECBINFHSA-N -1 1 318.341 0.409 20 0 DCADMM COC[C@@H]1CCCN1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591393967 1167262211 /nfs/dbraw/zinc/26/22/11/1167262211.db2.gz KGRXHIOTTLXAFL-VIFPVBQESA-N -1 1 303.326 0.017 20 0 DCADMM COC[C@@H]1CCCN1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591393967 1167262214 /nfs/dbraw/zinc/26/22/14/1167262214.db2.gz KGRXHIOTTLXAFL-VIFPVBQESA-N -1 1 303.326 0.017 20 0 DCADMM COC[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCO1 ZINC001591395953 1167265424 /nfs/dbraw/zinc/26/54/24/1167265424.db2.gz OAGPMGWVQXCBOP-LURJTMIESA-N -1 1 316.774 0.828 20 0 DCADMM COC[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001591395953 1167265430 /nfs/dbraw/zinc/26/54/30/1167265430.db2.gz OAGPMGWVQXCBOP-LURJTMIESA-N -1 1 316.774 0.828 20 0 DCADMM COCCOC(=O)N(C)Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001591431279 1167284415 /nfs/dbraw/zinc/28/44/15/1167284415.db2.gz JACAMJWKACITSC-UHFFFAOYSA-N -1 1 322.325 0.009 20 0 DCADMM COCCOCCCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591438127 1167285758 /nfs/dbraw/zinc/28/57/58/1167285758.db2.gz GXSVGAYDMUBBSM-UHFFFAOYSA-N -1 1 311.367 0.711 20 0 DCADMM COCCOCCCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591438127 1167285764 /nfs/dbraw/zinc/28/57/64/1167285764.db2.gz GXSVGAYDMUBBSM-UHFFFAOYSA-N -1 1 311.367 0.711 20 0 DCADMM COCOCCCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591451887 1167292346 /nfs/dbraw/zinc/29/23/46/1167292346.db2.gz HYMIPXNGCLUWAW-UHFFFAOYSA-N -1 1 309.301 0.746 20 0 DCADMM COCOCCCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591451887 1167292351 /nfs/dbraw/zinc/29/23/51/1167292351.db2.gz HYMIPXNGCLUWAW-UHFFFAOYSA-N -1 1 309.301 0.746 20 0 DCADMM COCc1nn(C)cc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591460753 1167294850 /nfs/dbraw/zinc/29/48/50/1167294850.db2.gz OUCWOALTSNBWDT-UHFFFAOYSA-N -1 1 320.338 0.455 20 0 DCADMM COCc1nn(C)cc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591460753 1167294856 /nfs/dbraw/zinc/29/48/56/1167294856.db2.gz OUCWOALTSNBWDT-UHFFFAOYSA-N -1 1 320.338 0.455 20 0 DCADMM CON(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001591464258 1167296836 /nfs/dbraw/zinc/29/68/36/1167296836.db2.gz FVGNUGLRZFZARJ-UHFFFAOYSA-N -1 1 303.731 0.702 20 0 DCADMM CON(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001591464258 1167296842 /nfs/dbraw/zinc/29/68/42/1167296842.db2.gz FVGNUGLRZFZARJ-UHFFFAOYSA-N -1 1 303.731 0.702 20 0 DCADMM COc1nscc1CN(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001591670354 1167346949 /nfs/dbraw/zinc/34/69/49/1167346949.db2.gz ICRGSCVAVYZFGA-UHFFFAOYSA-N -1 1 304.339 0.758 20 0 DCADMM COc1nscc1CN(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001591670354 1167346953 /nfs/dbraw/zinc/34/69/53/1167346953.db2.gz ICRGSCVAVYZFGA-UHFFFAOYSA-N -1 1 304.339 0.758 20 0 DCADMM CS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001591673324 1167347878 /nfs/dbraw/zinc/34/78/78/1167347878.db2.gz QANRKXFRKIANRA-VIFPVBQESA-N -1 1 313.408 0.547 20 0 DCADMM CS(=O)(=O)C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591672965 1167348373 /nfs/dbraw/zinc/34/83/73/1167348373.db2.gz KHZBXYWZZIYSFG-SNVBAGLBSA-N -1 1 322.394 0.523 20 0 DCADMM CS(=O)(=O)C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591672965 1167348379 /nfs/dbraw/zinc/34/83/79/1167348379.db2.gz KHZBXYWZZIYSFG-SNVBAGLBSA-N -1 1 322.394 0.523 20 0 DCADMM C[S@](=O)[C@@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001591682202 1167350639 /nfs/dbraw/zinc/35/06/39/1167350639.db2.gz GFCIVOQMZLSODJ-JYFUKTADSA-N -1 1 307.383 0.758 20 0 DCADMM C[S@](=O)[C@@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001591682202 1167350647 /nfs/dbraw/zinc/35/06/47/1167350647.db2.gz GFCIVOQMZLSODJ-JYFUKTADSA-N -1 1 307.383 0.758 20 0 DCADMM CSC(C)(C)CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591685028 1167353517 /nfs/dbraw/zinc/35/35/17/1167353517.db2.gz MZHRFXKURDDYKC-SSDOTTSWSA-N -1 1 310.387 0.277 20 0 DCADMM CS[C@H](CO)[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591690768 1167356330 /nfs/dbraw/zinc/35/63/30/1167356330.db2.gz VDPFWCNTNKOJNQ-OIBJUYFYSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@H](CO)[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591690768 1167356334 /nfs/dbraw/zinc/35/63/34/1167356334.db2.gz VDPFWCNTNKOJNQ-OIBJUYFYSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@H]1C[C@H](NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591702725 1167359618 /nfs/dbraw/zinc/35/96/18/1167359618.db2.gz ULASYBKUJWAHBR-FXQIFTODSA-N -1 1 308.371 0.029 20 0 DCADMM C[C@@H](CCNC(=O)C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001591720070 1167361861 /nfs/dbraw/zinc/36/18/61/1167361861.db2.gz HHWWVTNAHWRVEZ-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CCNC(=O)C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001591720070 1167361869 /nfs/dbraw/zinc/36/18/69/1167361869.db2.gz HHWWVTNAHWRVEZ-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)C(=O)N1CCCC1 ZINC001591769421 1167372667 /nfs/dbraw/zinc/37/26/67/1167372667.db2.gz PEDFTUAOPAXDMT-QMMMGPOBSA-N -1 1 320.378 0.669 20 0 DCADMM C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)C(=O)N1CCCC1 ZINC001591769421 1167372670 /nfs/dbraw/zinc/37/26/70/1167372670.db2.gz PEDFTUAOPAXDMT-QMMMGPOBSA-N -1 1 320.378 0.669 20 0 DCADMM C[C@H]1[C@@H](O)CCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591775685 1167374268 /nfs/dbraw/zinc/37/42/68/1167374268.db2.gz HVJDHIHMRQPNIG-WKEGUHRASA-N -1 1 309.276 0.740 20 0 DCADMM C[C@H]1[C@@H](O)CCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591775685 1167374275 /nfs/dbraw/zinc/37/42/75/1167374275.db2.gz HVJDHIHMRQPNIG-WKEGUHRASA-N -1 1 309.276 0.740 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc3n(n2)CCC3)nn1C ZINC001591797898 1167384421 /nfs/dbraw/zinc/38/44/21/1167384421.db2.gz RBPKUSANZLEZFE-UHFFFAOYSA-N -1 1 313.325 0.304 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc3n(n2)CCC3)nn1C ZINC001591797898 1167384426 /nfs/dbraw/zinc/38/44/26/1167384426.db2.gz RBPKUSANZLEZFE-UHFFFAOYSA-N -1 1 313.325 0.304 20 0 DCADMM Cc1c[nH]c(=O)c(CNC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001591831059 1167388434 /nfs/dbraw/zinc/38/84/34/1167388434.db2.gz ZCCMFOUWVOZXEI-UHFFFAOYSA-N -1 1 300.278 0.799 20 0 DCADMM Cc1c[nH]c(=O)c(CNC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001591831059 1167388443 /nfs/dbraw/zinc/38/84/43/1167388443.db2.gz ZCCMFOUWVOZXEI-UHFFFAOYSA-N -1 1 300.278 0.799 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC001591883785 1167408824 /nfs/dbraw/zinc/40/88/24/1167408824.db2.gz GWKKBMSQCLNMTR-NXEZZACHSA-N -1 1 301.354 0.660 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC001591883785 1167408827 /nfs/dbraw/zinc/40/88/27/1167408827.db2.gz GWKKBMSQCLNMTR-NXEZZACHSA-N -1 1 301.354 0.660 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(CC2)OCCO3)c1 ZINC001591886895 1167410827 /nfs/dbraw/zinc/41/08/27/1167410827.db2.gz NAFCTDUXJANBJQ-UHFFFAOYSA-N -1 1 302.338 0.913 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(CC2)OCCO3)c1 ZINC001591886895 1167410831 /nfs/dbraw/zinc/41/08/31/1167410831.db2.gz NAFCTDUXJANBJQ-UHFFFAOYSA-N -1 1 302.338 0.913 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCS(=O)(=O)C[C@H](C)C2)c1 ZINC001591887720 1167411626 /nfs/dbraw/zinc/41/16/26/1167411626.db2.gz FMXOUKCQZUSZFT-SNVBAGLBSA-N -1 1 322.394 0.441 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCS(=O)(=O)C[C@H](C)C2)c1 ZINC001591887720 1167411628 /nfs/dbraw/zinc/41/16/28/1167411628.db2.gz FMXOUKCQZUSZFT-SNVBAGLBSA-N -1 1 322.394 0.441 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCc2ncnn2C)n1 ZINC001591898170 1167412649 /nfs/dbraw/zinc/41/26/49/1167412649.db2.gz KUFHAIPLWFZKHO-UHFFFAOYSA-N -1 1 300.330 0.138 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCc2ncnn2C)n1 ZINC001591898170 1167412653 /nfs/dbraw/zinc/41/26/53/1167412653.db2.gz KUFHAIPLWFZKHO-UHFFFAOYSA-N -1 1 300.330 0.138 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCNC(=O)C(C)(C)C)n1 ZINC001591898345 1167413166 /nfs/dbraw/zinc/41/31/66/1167413166.db2.gz PQEXAYPZGQWCLM-UHFFFAOYSA-N -1 1 318.385 0.929 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCNC(=O)C(C)(C)C)n1 ZINC001591898345 1167413171 /nfs/dbraw/zinc/41/31/71/1167413171.db2.gz PQEXAYPZGQWCLM-UHFFFAOYSA-N -1 1 318.385 0.929 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H](O)C(F)(F)F)n1 ZINC001591890716 1167413880 /nfs/dbraw/zinc/41/38/80/1167413880.db2.gz MUQJCMALBKBPKU-IYSWYEEDSA-N -1 1 303.248 0.689 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H](O)C(F)(F)F)n1 ZINC001591890716 1167413876 /nfs/dbraw/zinc/41/38/76/1167413876.db2.gz MUQJCMALBKBPKU-IYSWYEEDSA-N -1 1 303.248 0.689 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC(=O)NCc2ccccc2)n1 ZINC001591893415 1167414020 /nfs/dbraw/zinc/41/40/20/1167414020.db2.gz GEOPKWNTPLSFPU-UHFFFAOYSA-N -1 1 324.348 0.693 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC(=O)NCc2ccccc2)n1 ZINC001591893415 1167414023 /nfs/dbraw/zinc/41/40/23/1167414023.db2.gz GEOPKWNTPLSFPU-UHFFFAOYSA-N -1 1 324.348 0.693 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCN2CCOC2=O)n1 ZINC001591899147 1167414064 /nfs/dbraw/zinc/41/40/64/1167414064.db2.gz YBKFHYKKKXOBOI-UHFFFAOYSA-N -1 1 304.314 0.219 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCN2CCOC2=O)n1 ZINC001591899147 1167414066 /nfs/dbraw/zinc/41/40/66/1167414066.db2.gz YBKFHYKKKXOBOI-UHFFFAOYSA-N -1 1 304.314 0.219 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC/C=C/CNC(=O)C2CC2)n1 ZINC001591896935 1167414260 /nfs/dbraw/zinc/41/42/60/1167414260.db2.gz SLEUOTMGAFOZTE-NSCUHMNNSA-N -1 1 314.353 0.459 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC/C=C/CNC(=O)C2CC2)n1 ZINC001591896935 1167414265 /nfs/dbraw/zinc/41/42/65/1167414265.db2.gz SLEUOTMGAFOZTE-NSCUHMNNSA-N -1 1 314.353 0.459 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](CCO)C(F)(F)F)n1 ZINC001591891447 1167414354 /nfs/dbraw/zinc/41/43/54/1167414354.db2.gz UROPBEOGWXCFMD-SSDOTTSWSA-N -1 1 303.248 0.690 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](CCO)C(F)(F)F)n1 ZINC001591891447 1167414357 /nfs/dbraw/zinc/41/43/57/1167414357.db2.gz UROPBEOGWXCFMD-SSDOTTSWSA-N -1 1 303.248 0.690 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)[C@H](F)C(C)C)n1 ZINC001591900305 1167414929 /nfs/dbraw/zinc/41/49/29/1167414929.db2.gz SPIURUFZTCNLLB-SNVBAGLBSA-N -1 1 322.348 0.487 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)[C@H](F)C(C)C)n1 ZINC001591900305 1167414933 /nfs/dbraw/zinc/41/49/33/1167414933.db2.gz SPIURUFZTCNLLB-SNVBAGLBSA-N -1 1 322.348 0.487 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)[C@H]2C[C@@H]2C)n1 ZINC001591900203 1167416267 /nfs/dbraw/zinc/41/62/67/1167416267.db2.gz OGASZBPBOKNXTI-CBAPKCEASA-N -1 1 302.342 0.149 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)[C@H]2C[C@@H]2C)n1 ZINC001591900203 1167416270 /nfs/dbraw/zinc/41/62/70/1167416270.db2.gz OGASZBPBOKNXTI-CBAPKCEASA-N -1 1 302.342 0.149 20 0 DCADMM Cc1cc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592004666 1167431899 /nfs/dbraw/zinc/43/18/99/1167431899.db2.gz PBMGWPHMNACMPL-PWSUYJOCSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1cc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592004666 1167431904 /nfs/dbraw/zinc/43/19/04/1167431904.db2.gz PBMGWPHMNACMPL-PWSUYJOCSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1-c1nn[nH]n1 ZINC001592153601 1167464021 /nfs/dbraw/zinc/46/40/21/1167464021.db2.gz HJSYMLSYZJBMSY-DGCLKSJQSA-N -1 1 303.366 0.757 20 0 DCADMM Cc1ccc(N2CCS(=O)(=O)[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001592177509 1167470977 /nfs/dbraw/zinc/47/09/77/1167470977.db2.gz ZEEQCCXWUFUJSK-SECBINFHSA-N -1 1 308.367 0.193 20 0 DCADMM Cc1ccc(N2CCS(=O)(=O)[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001592177509 1167471009 /nfs/dbraw/zinc/47/10/09/1167471009.db2.gz ZEEQCCXWUFUJSK-SECBINFHSA-N -1 1 308.367 0.193 20 0 DCADMM Cc1ccc(N2CC[C@H]3NC(=O)CC[C@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592177684 1167471560 /nfs/dbraw/zinc/47/15/60/1167471560.db2.gz FVPMVIMDFNFZNM-WDEREUQCSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(N2CC[C@H]3NC(=O)CC[C@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592177684 1167471565 /nfs/dbraw/zinc/47/15/65/1167471565.db2.gz FVPMVIMDFNFZNM-WDEREUQCSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(NC[C@H]2CC(=O)N(C3CC3)C2)c(-c2nnn[n-]2)n1 ZINC001592183736 1167472452 /nfs/dbraw/zinc/47/24/52/1167472452.db2.gz WECOPLLNKGNIPO-SNVBAGLBSA-N -1 1 313.365 0.993 20 0 DCADMM Cc1ccc(NC[C@H]2CC(=O)N(C3CC3)C2)c(-c2nn[n-]n2)n1 ZINC001592183736 1167472454 /nfs/dbraw/zinc/47/24/54/1167472454.db2.gz WECOPLLNKGNIPO-SNVBAGLBSA-N -1 1 313.365 0.993 20 0 DCADMM Cc1cccc2c1O[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C2 ZINC001592244933 1167477641 /nfs/dbraw/zinc/47/76/41/1167477641.db2.gz RQQUMDRZKSAMCS-SNVBAGLBSA-N -1 1 311.305 0.840 20 0 DCADMM Cc1cccc2c1O[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C2 ZINC001592244933 1167477644 /nfs/dbraw/zinc/47/76/44/1167477644.db2.gz RQQUMDRZKSAMCS-SNVBAGLBSA-N -1 1 311.305 0.840 20 0 DCADMM Cc1cccc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1O ZINC001592236449 1167479177 /nfs/dbraw/zinc/47/91/77/1167479177.db2.gz BBPZTSONAIKAQS-QMMMGPOBSA-N -1 1 314.309 0.672 20 0 DCADMM Cc1ccnc(-c2noc(Cn3cc(-c4nn[n-]n4)nn3)n2)c1 ZINC001592270371 1167479900 /nfs/dbraw/zinc/47/99/00/1167479900.db2.gz DOGKPSOAOVPHHM-UHFFFAOYSA-N -1 1 310.281 0.260 20 0 DCADMM Cc1ccn(Cc2nccn2CC(F)F)c(=O)c1-c1nn[n-]n1 ZINC001592265509 1167479992 /nfs/dbraw/zinc/47/99/92/1167479992.db2.gz DDNSAVWATNGDOS-UHFFFAOYSA-N -1 1 321.291 0.847 20 0 DCADMM Cc1cnc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)o1 ZINC001592294108 1167484974 /nfs/dbraw/zinc/48/49/74/1167484974.db2.gz TUBTXSWRVKIEFD-ZETCQYMHSA-N -1 1 304.270 0.059 20 0 DCADMM Cc1cnc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)s1 ZINC001592293248 1167485374 /nfs/dbraw/zinc/48/53/74/1167485374.db2.gz GDZCPIUYYZKUMB-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1cnc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)s1 ZINC001592293248 1167485379 /nfs/dbraw/zinc/48/53/79/1167485379.db2.gz GDZCPIUYYZKUMB-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@]23C[C@@H]2COC3(C)C)c1-c1nn[n-]n1 ZINC001592328309 1167488903 /nfs/dbraw/zinc/48/89/03/1167488903.db2.gz RWVKHMGFDONOTL-FUXBKTLASA-N -1 1 303.326 0.652 20 0 DCADMM Cc1[nH]nc(NC(=O)Cc2ccc(F)cn2)c1-c1nn[n-]n1 ZINC001592329920 1167491713 /nfs/dbraw/zinc/49/17/13/1167491713.db2.gz GHWULCNVTGXDCZ-UHFFFAOYSA-N -1 1 302.273 0.614 20 0 DCADMM Cc1[nH]nc(NC(=O)CNC(=O)CCC(C)C)c1-c1nn[n-]n1 ZINC001592328906 1167492150 /nfs/dbraw/zinc/49/21/50/1167492150.db2.gz ZJJIXMSVSLHOTR-UHFFFAOYSA-N -1 1 320.357 0.389 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](O)CC23CCC3)n1 ZINC001592338277 1167492528 /nfs/dbraw/zinc/49/25/28/1167492528.db2.gz XVYKTJSRWAMLET-SNVBAGLBSA-N -1 1 301.354 0.849 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](O)CC23CCC3)n1 ZINC001592338277 1167492531 /nfs/dbraw/zinc/49/25/31/1167492531.db2.gz XVYKTJSRWAMLET-SNVBAGLBSA-N -1 1 301.354 0.849 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC3=C(CCC(=O)N3)C2)n1 ZINC001592337758 1167492860 /nfs/dbraw/zinc/49/28/60/1167492860.db2.gz NXEXGIVHPGZXMN-UHFFFAOYSA-N -1 1 312.337 0.339 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC3=C(CCC(=O)N3)C2)n1 ZINC001592337758 1167492862 /nfs/dbraw/zinc/49/28/62/1167492862.db2.gz NXEXGIVHPGZXMN-UHFFFAOYSA-N -1 1 312.337 0.339 20 0 DCADMM Cc1nc(-c2nn[n-]n2)c(N2NC(=O)C3(CCC3)CC2=O)o1 ZINC001592336882 1167493324 /nfs/dbraw/zinc/49/33/24/1167493324.db2.gz GLKZJWDXNADPIF-UHFFFAOYSA-N -1 1 303.282 0.101 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[S@](=O)C[C@@H](C)C2)n1 ZINC001592341151 1167496217 /nfs/dbraw/zinc/49/62/17/1167496217.db2.gz MSNFVBGKWPAGKZ-PPRQPISWSA-N -1 1 307.383 0.170 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[S@](=O)C[C@@H](C)C2)n1 ZINC001592341151 1167496222 /nfs/dbraw/zinc/49/62/22/1167496222.db2.gz MSNFVBGKWPAGKZ-PPRQPISWSA-N -1 1 307.383 0.170 20 0 DCADMM Cc1nc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(C)s1 ZINC001592360160 1167504172 /nfs/dbraw/zinc/50/41/72/1167504172.db2.gz XUOVDKVSHIKSCY-UHFFFAOYSA-N -1 1 304.339 0.844 20 0 DCADMM Cc1nc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(C)s1 ZINC001592360160 1167504180 /nfs/dbraw/zinc/50/41/80/1167504180.db2.gz XUOVDKVSHIKSCY-UHFFFAOYSA-N -1 1 304.339 0.844 20 0 DCADMM Cc1nc(CC(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)cs1 ZINC001592359848 1167504236 /nfs/dbraw/zinc/50/42/36/1167504236.db2.gz OPDNXHYIJQMOJA-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM Cc1nc(CC(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)cs1 ZINC001592359848 1167504242 /nfs/dbraw/zinc/50/42/42/1167504242.db2.gz OPDNXHYIJQMOJA-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM Cc1nc(Cc2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)no1 ZINC001592362393 1167504388 /nfs/dbraw/zinc/50/43/88/1167504388.db2.gz INBCFZMLTPHSLX-UHFFFAOYSA-N -1 1 311.265 0.594 20 0 DCADMM Cc1nc(Cc2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)no1 ZINC001592362393 1167504392 /nfs/dbraw/zinc/50/43/92/1167504392.db2.gz INBCFZMLTPHSLX-UHFFFAOYSA-N -1 1 311.265 0.594 20 0 DCADMM Cc1nc(NCC(=O)NCc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001592384094 1167509941 /nfs/dbraw/zinc/50/99/41/1167509941.db2.gz MZUYMUXOJKOOJO-UHFFFAOYSA-N -1 1 324.348 0.693 20 0 DCADMM Cc1nc(NCC(=O)NCc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001592384094 1167509945 /nfs/dbraw/zinc/50/99/45/1167509945.db2.gz MZUYMUXOJKOOJO-UHFFFAOYSA-N -1 1 324.348 0.693 20 0 DCADMM Cc1nc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc(-c2nnn[n-]2)n1 ZINC001592386912 1167512124 /nfs/dbraw/zinc/51/21/24/1167512124.db2.gz CWBDYRAIWANSPS-YWVKMMECSA-N -1 1 303.326 0.181 20 0 DCADMM Cc1nc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc(-c2nn[n-]n2)n1 ZINC001592386912 1167512130 /nfs/dbraw/zinc/51/21/30/1167512130.db2.gz CWBDYRAIWANSPS-YWVKMMECSA-N -1 1 303.326 0.181 20 0 DCADMM Cc1nccnc1[C@@H](C)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592419534 1167518014 /nfs/dbraw/zinc/51/80/14/1167518014.db2.gz KUGNPUFTDDYUJJ-SNVBAGLBSA-N -1 1 324.348 0.780 20 0 DCADMM Cc1nccnc1[C@@H](C)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592419534 1167518019 /nfs/dbraw/zinc/51/80/19/1167518019.db2.gz KUGNPUFTDDYUJJ-SNVBAGLBSA-N -1 1 324.348 0.780 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c1-c1nnn[n-]1 ZINC001592433979 1167520664 /nfs/dbraw/zinc/52/06/64/1167520664.db2.gz KVQNGEOQBNEPNX-OIBJUYFYSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001592433979 1167520667 /nfs/dbraw/zinc/52/06/67/1167520667.db2.gz KVQNGEOQBNEPNX-OIBJUYFYSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nn(C)c(C)c1CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001592427989 1167520694 /nfs/dbraw/zinc/52/06/94/1167520694.db2.gz ZMWXHPGYNFDZBY-UHFFFAOYSA-N -1 1 315.341 0.430 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCO[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592433544 1167521158 /nfs/dbraw/zinc/52/11/58/1167521158.db2.gz FFVRVGLBPLZDCO-IONNQARKSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592433544 1167521162 /nfs/dbraw/zinc/52/11/62/1167521162.db2.gz FFVRVGLBPLZDCO-IONNQARKSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(Cc2cccc(F)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437287 1167521772 /nfs/dbraw/zinc/52/17/72/1167521772.db2.gz BENLYCIAHVNFSY-UHFFFAOYSA-N -1 1 301.285 0.623 20 0 DCADMM Cc1nn(CC[C@H]2COC(C)(C)O2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436815 1167523045 /nfs/dbraw/zinc/52/30/45/1167523045.db2.gz AVPLMMCSRYFELF-JTQLQIEISA-N -1 1 320.353 0.582 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC001592500666 1167541561 /nfs/dbraw/zinc/54/15/61/1167541561.db2.gz YOROXVBSPNPHMC-VIFPVBQESA-N -1 1 316.321 0.215 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC001592500666 1167541567 /nfs/dbraw/zinc/54/15/67/1167541567.db2.gz YOROXVBSPNPHMC-VIFPVBQESA-N -1 1 316.321 0.215 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](O)c1ccco1 ZINC001592502996 1167542114 /nfs/dbraw/zinc/54/21/14/1167542114.db2.gz QHPBDENVCDEKQO-SECBINFHSA-N -1 1 303.278 0.825 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](O)c1ccco1 ZINC001592502996 1167542119 /nfs/dbraw/zinc/54/21/19/1167542119.db2.gz QHPBDENVCDEKQO-SECBINFHSA-N -1 1 303.278 0.825 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCNc1ncccn1 ZINC001592502161 1167542329 /nfs/dbraw/zinc/54/23/29/1167542329.db2.gz YCXQZJDCDUGMST-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCNc1ncccn1 ZINC001592502161 1167542336 /nfs/dbraw/zinc/54/23/36/1167542336.db2.gz YCXQZJDCDUGMST-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@H](C)[S@](C)=O ZINC001592502206 1167542566 /nfs/dbraw/zinc/54/25/66/1167542566.db2.gz MCFDXPRMFZOWEB-SGWXMTNESA-N -1 1 311.367 0.655 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@H](C)[S@](C)=O ZINC001592502206 1167542569 /nfs/dbraw/zinc/54/25/69/1167542569.db2.gz MCFDXPRMFZOWEB-SGWXMTNESA-N -1 1 311.367 0.655 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H](C)[C@@H](CO)C2)c1-c1nnn[n-]1 ZINC001592515305 1167543432 /nfs/dbraw/zinc/54/34/32/1167543432.db2.gz CLPVRNMQLYMKGW-WCBMZHEXSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H](C)[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC001592515305 1167543440 /nfs/dbraw/zinc/54/34/40/1167543440.db2.gz CLPVRNMQLYMKGW-WCBMZHEXSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)Nc2ncccc2CO)c1-c1nnn[n-]1 ZINC001592516632 1167547951 /nfs/dbraw/zinc/54/79/51/1167547951.db2.gz CURVAVOPQGTJDS-UHFFFAOYSA-N -1 1 315.293 0.232 20 0 DCADMM Cc1onc(CC(=O)Nc2ncccc2CO)c1-c1nn[n-]n1 ZINC001592516632 1167547959 /nfs/dbraw/zinc/54/79/59/1167547959.db2.gz CURVAVOPQGTJDS-UHFFFAOYSA-N -1 1 315.293 0.232 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2cccc(F)c2)n(C)c1=O ZINC001592556953 1167558098 /nfs/dbraw/zinc/55/80/98/1167558098.db2.gz QVNXXDINHPXUDH-UHFFFAOYSA-N -1 1 318.268 0.196 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ocnc2C2CC2)n1 ZINC001592560237 1167559972 /nfs/dbraw/zinc/55/99/72/1167559972.db2.gz VBRTVVPBQZEDOG-UHFFFAOYSA-N -1 1 300.282 0.718 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ocnc2C2CC2)n1 ZINC001592560237 1167559976 /nfs/dbraw/zinc/55/99/76/1167559976.db2.gz VBRTVVPBQZEDOG-UHFFFAOYSA-N -1 1 300.282 0.718 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2COCC2(C)C)n1 ZINC001592559846 1167561307 /nfs/dbraw/zinc/56/13/07/1167561307.db2.gz MBIPQDCUCCGOMY-QMMMGPOBSA-N -1 1 306.330 0.147 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2COCC2(C)C)n1 ZINC001592559846 1167561313 /nfs/dbraw/zinc/56/13/13/1167561313.db2.gz MBIPQDCUCCGOMY-QMMMGPOBSA-N -1 1 306.330 0.147 20 0 DCADMM Cn1cc(CNc2n[nH]cc2-c2nnn[n-]2)c(-c2cccnc2)n1 ZINC001592573176 1167565433 /nfs/dbraw/zinc/56/54/33/1167565433.db2.gz VHHNDVHEOBKKAN-UHFFFAOYSA-N -1 1 322.336 0.997 20 0 DCADMM Cn1cc(CNc2n[nH]cc2-c2nn[n-]n2)c(-c2cccnc2)n1 ZINC001592573176 1167565440 /nfs/dbraw/zinc/56/54/40/1167565440.db2.gz VHHNDVHEOBKKAN-UHFFFAOYSA-N -1 1 322.336 0.997 20 0 DCADMM Cn1cc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)nn1 ZINC001592576469 1167568817 /nfs/dbraw/zinc/56/88/17/1167568817.db2.gz UWCVKNXZOLZQSF-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1cncc1CCCOC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592590536 1167574179 /nfs/dbraw/zinc/57/41/79/1167574179.db2.gz OGHNDVYXSOHTDZ-UHFFFAOYSA-N -1 1 302.294 0.983 20 0 DCADMM Cn1nc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c2c1CCCC2 ZINC001592593640 1167576334 /nfs/dbraw/zinc/57/63/34/1167576334.db2.gz UQHXMHSYQOTOJT-UHFFFAOYSA-N -1 1 313.325 0.454 20 0 DCADMM Cn1nc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c2c1CCCC2 ZINC001592593640 1167576338 /nfs/dbraw/zinc/57/63/38/1167576338.db2.gz UQHXMHSYQOTOJT-UHFFFAOYSA-N -1 1 313.325 0.454 20 0 DCADMM Cn1nc(C(F)(F)F)cc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001592594516 1167576396 /nfs/dbraw/zinc/57/63/96/1167576396.db2.gz PATUVDDKPUUZMV-UHFFFAOYSA-N -1 1 313.247 0.954 20 0 DCADMM Cn1nc(C(F)(F)F)cc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001592594516 1167576401 /nfs/dbraw/zinc/57/64/01/1167576401.db2.gz PATUVDDKPUUZMV-UHFFFAOYSA-N -1 1 313.247 0.954 20 0 DCADMM Cn1nncc1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592611391 1167584497 /nfs/dbraw/zinc/58/44/97/1167584497.db2.gz XQGOQHABWNIIPF-UHFFFAOYSA-N -1 1 319.306 0.096 20 0 DCADMM Cn1nncc1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592611391 1167584502 /nfs/dbraw/zinc/58/45/02/1167584502.db2.gz XQGOQHABWNIIPF-UHFFFAOYSA-N -1 1 319.306 0.096 20 0 DCADMM FC(F)CN1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001592624878 1167585913 /nfs/dbraw/zinc/58/59/13/1167585913.db2.gz OUTRGLNXTHSLJK-QMMMGPOBSA-N -1 1 310.312 0.798 20 0 DCADMM FC(F)CN1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001592624878 1167585918 /nfs/dbraw/zinc/58/59/18/1167585918.db2.gz OUTRGLNXTHSLJK-QMMMGPOBSA-N -1 1 310.312 0.798 20 0 DCADMM NC(=O)C1CCC(NC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001592719653 1167611199 /nfs/dbraw/zinc/61/11/99/1167611199.db2.gz AHHHOLQEJXIMAI-UHFFFAOYSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)C1CCC(NC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001592719653 1167611204 /nfs/dbraw/zinc/61/12/04/1167611204.db2.gz AHHHOLQEJXIMAI-UHFFFAOYSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)c1cc2cc(Nc3cc(-c4nnn[n-]4)ncn3)ccc2[nH]1 ZINC001592735316 1167620237 /nfs/dbraw/zinc/62/02/37/1167620237.db2.gz MMOJFTMNZLJZRK-UHFFFAOYSA-N -1 1 321.304 0.981 20 0 DCADMM NC(=O)c1cc2cc(Nc3cc(-c4nn[n-]n4)ncn3)ccc2[nH]1 ZINC001592735316 1167620243 /nfs/dbraw/zinc/62/02/43/1167620243.db2.gz MMOJFTMNZLJZRK-UHFFFAOYSA-N -1 1 321.304 0.981 20 0 DCADMM NC(=O)c1cccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592736954 1167623470 /nfs/dbraw/zinc/62/34/70/1167623470.db2.gz YVHGAVBVROZJRW-UHFFFAOYSA-N -1 1 310.277 0.008 20 0 DCADMM NC(=O)c1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592736954 1167623474 /nfs/dbraw/zinc/62/34/74/1167623474.db2.gz YVHGAVBVROZJRW-UHFFFAOYSA-N -1 1 310.277 0.008 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1nc(Cl)ccc1F ZINC001592753332 1167631043 /nfs/dbraw/zinc/63/10/43/1167631043.db2.gz UOTMAGKSHBBTFX-UHFFFAOYSA-N -1 1 308.664 0.521 20 0 DCADMM O=C(CC1OCCCO1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592827294 1167646398 /nfs/dbraw/zinc/64/63/98/1167646398.db2.gz SCYFRDLTJNJHLK-UHFFFAOYSA-N -1 1 319.325 0.559 20 0 DCADMM O=C(CCNc1cccc(-c2nnn[n-]2)n1)NCc1ccccn1 ZINC001592844822 1167649579 /nfs/dbraw/zinc/64/95/79/1167649579.db2.gz LBGKBMALJZNROO-UHFFFAOYSA-N -1 1 324.348 0.775 20 0 DCADMM O=C(CCNc1cccc(-c2nn[n-]n2)n1)NCc1ccccn1 ZINC001592844822 1167649581 /nfs/dbraw/zinc/64/95/81/1167649581.db2.gz LBGKBMALJZNROO-UHFFFAOYSA-N -1 1 324.348 0.775 20 0 DCADMM O=C(CCn1cc(Cl)cn1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592859363 1167651771 /nfs/dbraw/zinc/65/17/71/1167651771.db2.gz IFFMECAGZAPHBM-UHFFFAOYSA-N -1 1 307.705 0.469 20 0 DCADMM O=C(CCn1cc(Cl)cn1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592859363 1167651774 /nfs/dbraw/zinc/65/17/74/1167651774.db2.gz IFFMECAGZAPHBM-UHFFFAOYSA-N -1 1 307.705 0.469 20 0 DCADMM O=C(CNC(=O)c1coc(-c2nnn[n-]2)c1)NC1CCCCC1 ZINC001592873961 1167653844 /nfs/dbraw/zinc/65/38/44/1167653844.db2.gz SIBGDELVBKONSK-UHFFFAOYSA-N -1 1 318.337 0.638 20 0 DCADMM O=C(CNC(=O)c1coc(-c2nn[n-]n2)c1)NC1CCCCC1 ZINC001592873961 1167653851 /nfs/dbraw/zinc/65/38/51/1167653851.db2.gz SIBGDELVBKONSK-UHFFFAOYSA-N -1 1 318.337 0.638 20 0 DCADMM O=C(COC(=O)c1ccnc(-c2nnn[n-]2)c1)NC1CCCC1 ZINC001592884356 1167656931 /nfs/dbraw/zinc/65/69/31/1167656931.db2.gz KKTYXVCHMHXAOV-UHFFFAOYSA-N -1 1 316.321 0.477 20 0 DCADMM O=C(COC(=O)c1ccnc(-c2nn[n-]n2)c1)NC1CCCC1 ZINC001592884356 1167656934 /nfs/dbraw/zinc/65/69/34/1167656934.db2.gz KKTYXVCHMHXAOV-UHFFFAOYSA-N -1 1 316.321 0.477 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC001592915531 1167664652 /nfs/dbraw/zinc/66/46/52/1167664652.db2.gz PLPMMLDPQHPOQI-AAEUAGOBSA-N -1 1 314.349 0.488 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC001592915531 1167664656 /nfs/dbraw/zinc/66/46/56/1167664656.db2.gz PLPMMLDPQHPOQI-AAEUAGOBSA-N -1 1 314.349 0.488 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cnn2c1CCCC2 ZINC001592915901 1167665345 /nfs/dbraw/zinc/66/53/45/1167665345.db2.gz WJNMAZQHNDONQQ-UHFFFAOYSA-N -1 1 324.348 0.976 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cnn2c1CCCC2 ZINC001592915901 1167665348 /nfs/dbraw/zinc/66/53/48/1167665348.db2.gz WJNMAZQHNDONQQ-UHFFFAOYSA-N -1 1 324.348 0.976 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCc1cnns1 ZINC001592914913 1167666082 /nfs/dbraw/zinc/66/60/82/1167666082.db2.gz NCNCJBVEQISXBZ-UHFFFAOYSA-N -1 1 303.307 0.399 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCc1cnns1 ZINC001592914913 1167666087 /nfs/dbraw/zinc/66/60/87/1167666087.db2.gz NCNCJBVEQISXBZ-UHFFFAOYSA-N -1 1 303.307 0.399 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccccc1Cl ZINC001592940898 1167670270 /nfs/dbraw/zinc/67/02/70/1167670270.db2.gz HTHUWDIDFILDLR-UHFFFAOYSA-N -1 1 318.728 0.428 20 0 DCADMM O=C(N[C@H](CO)C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001592953829 1167672517 /nfs/dbraw/zinc/67/25/17/1167672517.db2.gz PFKQIFILACINOZ-IUCAKERBSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@H](CO)C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001592953829 1167672519 /nfs/dbraw/zinc/67/25/19/1167672519.db2.gz PFKQIFILACINOZ-IUCAKERBSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(NC1(CO)CCSCC1)c1coc(-c2nnn[n-]2)c1 ZINC001592960666 1167675095 /nfs/dbraw/zinc/67/50/95/1167675095.db2.gz XZEJTDMZJRXQHG-UHFFFAOYSA-N -1 1 309.351 0.448 20 0 DCADMM O=C(NC1(CO)CCSCC1)c1coc(-c2nn[n-]n2)c1 ZINC001592960666 1167675098 /nfs/dbraw/zinc/67/50/98/1167675098.db2.gz XZEJTDMZJRXQHG-UHFFFAOYSA-N -1 1 309.351 0.448 20 0 DCADMM O=C(N[C@@H]1CCCc2c[nH]nc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001592986039 1167679273 /nfs/dbraw/zinc/67/92/73/1167679273.db2.gz SDVOIAFMJJPDJI-SNVBAGLBSA-N -1 1 310.321 0.792 20 0 DCADMM O=C(NC[C@H](O)C1CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593012479 1167686311 /nfs/dbraw/zinc/68/63/11/1167686311.db2.gz ISHXZJUSYRHOHQ-JTQLQIEISA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@H](O)C1CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593012479 1167686313 /nfs/dbraw/zinc/68/63/13/1167686313.db2.gz ISHXZJUSYRHOHQ-JTQLQIEISA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@@H](CO)c1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593008478 1167686349 /nfs/dbraw/zinc/68/63/49/1167686349.db2.gz KABFMFBDEXYTIU-NSHDSACASA-N -1 1 313.317 0.966 20 0 DCADMM O=C(NC[C@@H](CO)c1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593008478 1167686355 /nfs/dbraw/zinc/68/63/55/1167686355.db2.gz KABFMFBDEXYTIU-NSHDSACASA-N -1 1 313.317 0.966 20 0 DCADMM O=C(NC[C@@H](O)[C@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001593012384 1167687217 /nfs/dbraw/zinc/68/72/17/1167687217.db2.gz BIYNKHXVZQUGID-RKDXNWHRSA-N -1 1 309.351 0.198 20 0 DCADMM O=C(NC[C@H](O)c1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593014179 1167688359 /nfs/dbraw/zinc/68/83/59/1167688359.db2.gz VTFDCZZAEKQTJI-ZDUSSCGKSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(NC[C@H](O)c1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593014179 1167688363 /nfs/dbraw/zinc/68/83/63/1167688363.db2.gz VTFDCZZAEKQTJI-ZDUSSCGKSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(NCC1CC2(C1)OCCO2)c1ccsc1-c1nnn[n-]1 ZINC001593029719 1167690475 /nfs/dbraw/zinc/69/04/75/1167690475.db2.gz YAFOKFPRDYSBOT-UHFFFAOYSA-N -1 1 321.362 0.811 20 0 DCADMM O=C(NCC1CC2(C1)OCCO2)c1ccsc1-c1nn[n-]n1 ZINC001593029719 1167690479 /nfs/dbraw/zinc/69/04/79/1167690479.db2.gz YAFOKFPRDYSBOT-UHFFFAOYSA-N -1 1 321.362 0.811 20 0 DCADMM O=C(NC[C@H]1CCC[C@@H](O)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593033011 1167691284 /nfs/dbraw/zinc/69/12/84/1167691284.db2.gz FGFPLDPKDVQZJL-GXSJLCMTSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@H]1CCC[C@@H](O)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593033011 1167691297 /nfs/dbraw/zinc/69/12/97/1167691297.db2.gz FGFPLDPKDVQZJL-GXSJLCMTSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NCCC[C@H]1CCOC1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001593066319 1167698069 /nfs/dbraw/zinc/69/80/69/1167698069.db2.gz HKDJTIFAAMPLBX-QMMMGPOBSA-N -1 1 305.294 0.533 20 0 DCADMM O=C(NCCC[C@H]1CCOC1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593066319 1167698076 /nfs/dbraw/zinc/69/80/76/1167698076.db2.gz HKDJTIFAAMPLBX-QMMMGPOBSA-N -1 1 305.294 0.533 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCC1(F)F ZINC001593091324 1167706364 /nfs/dbraw/zinc/70/63/64/1167706364.db2.gz CPHLFQRSSWGXDH-ZETCQYMHSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCC1(F)F ZINC001593091324 1167706368 /nfs/dbraw/zinc/70/63/68/1167706368.db2.gz CPHLFQRSSWGXDH-ZETCQYMHSA-N -1 1 324.295 0.230 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001593112998 1167710793 /nfs/dbraw/zinc/71/07/93/1167710793.db2.gz WXYGIZZXFUWSOV-UHFFFAOYSA-N -1 1 320.263 0.166 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001593112983 1167713440 /nfs/dbraw/zinc/71/34/40/1167713440.db2.gz VUEOXHASJAHHFE-UHFFFAOYSA-N -1 1 320.263 0.166 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc(=O)[nH]n1 ZINC001593136606 1167719864 /nfs/dbraw/zinc/71/98/64/1167719864.db2.gz QQCJXXSGFKFPLD-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cnn2c1CCCC2 ZINC001593145908 1167724299 /nfs/dbraw/zinc/72/42/99/1167724299.db2.gz ARVYDEGAKAJPQA-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cnn2c1CCCC2 ZINC001593145908 1167724304 /nfs/dbraw/zinc/72/43/04/1167724304.db2.gz ARVYDEGAKAJPQA-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)C1(O)CCCCC1 ZINC001593150631 1167727989 /nfs/dbraw/zinc/72/79/89/1167727989.db2.gz YRFCPQMKUFVYBW-UHFFFAOYSA-N -1 1 308.367 0.635 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)C1(O)CCCCC1 ZINC001593150631 1167727996 /nfs/dbraw/zinc/72/79/96/1167727996.db2.gz YRFCPQMKUFVYBW-UHFFFAOYSA-N -1 1 308.367 0.635 20 0 DCADMM O=C(NOC[C@@H]1CCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593168972 1167729132 /nfs/dbraw/zinc/72/91/32/1167729132.db2.gz HMXCWXYBUIUASB-MRVPVSSYSA-N -1 1 307.285 0.704 20 0 DCADMM O=C(NOC[C@@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593168972 1167729136 /nfs/dbraw/zinc/72/91/36/1167729136.db2.gz HMXCWXYBUIUASB-MRVPVSSYSA-N -1 1 307.285 0.704 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CCc2cccc(O)c21 ZINC001593197218 1167734536 /nfs/dbraw/zinc/73/45/36/1167734536.db2.gz HGFWSCKLEMXSJL-QMMMGPOBSA-N -1 1 311.305 0.964 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CCc2cccc(O)c21 ZINC001593197218 1167734542 /nfs/dbraw/zinc/73/45/42/1167734542.db2.gz HGFWSCKLEMXSJL-QMMMGPOBSA-N -1 1 311.305 0.964 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@@]12CCOC2 ZINC001593202493 1167737515 /nfs/dbraw/zinc/73/75/15/1167737515.db2.gz AZRBWEFKSMICIL-YMTOWFKASA-N -1 1 301.306 0.937 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1Cc2cncn2C1 ZINC001593255414 1167745229 /nfs/dbraw/zinc/74/52/29/1167745229.db2.gz HEBYFZLIYDZZSM-VIFPVBQESA-N -1 1 311.309 0.205 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CCc2ncncc2C1 ZINC001593259551 1167747211 /nfs/dbraw/zinc/74/72/11/1167747211.db2.gz BXUXREWMHYPYSE-ZETCQYMHSA-N -1 1 311.309 0.123 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCc2nncn2C1 ZINC001593267462 1167750150 /nfs/dbraw/zinc/75/01/50/1167750150.db2.gz GRXDUHZUUDJGGP-ZCFIWIBFSA-N -1 1 317.338 0.116 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCc2nncn2C1 ZINC001593267462 1167750156 /nfs/dbraw/zinc/75/01/56/1167750156.db2.gz GRXDUHZUUDJGGP-ZCFIWIBFSA-N -1 1 317.338 0.116 20 0 DCADMM O=C(O[C@H]1CCN(CCF)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593280398 1167754377 /nfs/dbraw/zinc/75/43/77/1167754377.db2.gz KZUGHCXGIJHGCW-JTQLQIEISA-N -1 1 306.301 0.462 20 0 DCADMM O=C(O[C@H]1CCN(CCF)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593280398 1167754383 /nfs/dbraw/zinc/75/43/83/1167754383.db2.gz KZUGHCXGIJHGCW-JTQLQIEISA-N -1 1 306.301 0.462 20 0 DCADMM O=C(OC[C@H]1CCCNC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001593284713 1167757210 /nfs/dbraw/zinc/75/72/10/1167757210.db2.gz ROHYOUJCNKSBCX-MRVPVSSYSA-N -1 1 319.296 0.689 20 0 DCADMM O=C(OC[C@H]1CCCNC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001593284713 1167757212 /nfs/dbraw/zinc/75/72/12/1167757212.db2.gz ROHYOUJCNKSBCX-MRVPVSSYSA-N -1 1 319.296 0.689 20 0 DCADMM O=C(OC1CCS(=O)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593281838 1167758371 /nfs/dbraw/zinc/75/83/71/1167758371.db2.gz WPVKYGHDYBYDEY-UHFFFAOYSA-N -1 1 307.335 0.330 20 0 DCADMM O=C(OC1CCS(=O)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593281838 1167758377 /nfs/dbraw/zinc/75/83/77/1167758377.db2.gz WPVKYGHDYBYDEY-UHFFFAOYSA-N -1 1 307.335 0.330 20 0 DCADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1cnn(CCF)c1 ZINC001593307005 1167768067 /nfs/dbraw/zinc/76/80/67/1167768067.db2.gz JLSRNKRYGZRIFA-UHFFFAOYSA-N -1 1 323.313 0.846 20 0 DCADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)c1cnn(CCF)c1 ZINC001593307005 1167768075 /nfs/dbraw/zinc/76/80/75/1167768075.db2.gz JLSRNKRYGZRIFA-UHFFFAOYSA-N -1 1 323.313 0.846 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N(CCO)C1CC1 ZINC001593329352 1167774841 /nfs/dbraw/zinc/77/48/41/1167774841.db2.gz LWSGWTWNLJHATN-UHFFFAOYSA-N -1 1 309.276 0.742 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N(CCO)C1CC1 ZINC001593329352 1167774850 /nfs/dbraw/zinc/77/48/50/1167774850.db2.gz LWSGWTWNLJHATN-UHFFFAOYSA-N -1 1 309.276 0.742 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCn2ncnc2C1 ZINC001593338273 1167779039 /nfs/dbraw/zinc/77/90/39/1167779039.db2.gz WVNXRWVRFUFIOI-UHFFFAOYSA-N -1 1 302.323 0.176 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCn2ncnc2C1 ZINC001593338273 1167779042 /nfs/dbraw/zinc/77/90/42/1167779042.db2.gz WVNXRWVRFUFIOI-UHFFFAOYSA-N -1 1 302.323 0.176 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@]2(CCOC2=O)C1 ZINC001593338084 1167780022 /nfs/dbraw/zinc/78/00/22/1167780022.db2.gz KFTKCXHUBSBSJX-CYBMUJFWSA-N -1 1 319.346 0.707 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@]2(CCOC2=O)C1 ZINC001593338084 1167780028 /nfs/dbraw/zinc/78/00/28/1167780028.db2.gz KFTKCXHUBSBSJX-CYBMUJFWSA-N -1 1 319.346 0.707 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]2COCC[C@H]21 ZINC001593359018 1167783829 /nfs/dbraw/zinc/78/38/29/1167783829.db2.gz SWKFHUUVIPNJRP-DGCLKSJQSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]2COCC[C@H]21 ZINC001593359018 1167783833 /nfs/dbraw/zinc/78/38/33/1167783833.db2.gz SWKFHUUVIPNJRP-DGCLKSJQSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCO[C@@H](CCF)C1 ZINC001593348672 1167785656 /nfs/dbraw/zinc/78/56/56/1167785656.db2.gz KMWMSPKEGPKVGJ-VIFPVBQESA-N -1 1 306.301 0.462 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCO[C@@H](CCF)C1 ZINC001593348672 1167785660 /nfs/dbraw/zinc/78/56/60/1167785660.db2.gz KMWMSPKEGPKVGJ-VIFPVBQESA-N -1 1 306.301 0.462 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CC(=O)c2ccccc21 ZINC001593383268 1167794424 /nfs/dbraw/zinc/79/44/24/1167794424.db2.gz QSMVWGRSJAYOMQ-VIFPVBQESA-N -1 1 309.289 0.899 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCNC(=O)CC1 ZINC001593387494 1167799785 /nfs/dbraw/zinc/79/97/85/1167799785.db2.gz KFGJHTUWFNVWML-QMMMGPOBSA-N -1 1 321.362 0.888 20 0 DCADMM O=C1CCC2=C(CCN(Cc3nc(-c4nnn[n-]4)cs3)C2)N1 ZINC001593389782 1167801852 /nfs/dbraw/zinc/80/18/52/1167801852.db2.gz FLTRVDPBRJCAGN-UHFFFAOYSA-N -1 1 317.378 0.693 20 0 DCADMM O=C1CCC2=C(CCN(Cc3nc(-c4nn[n-]n4)cs3)C2)N1 ZINC001593389782 1167801866 /nfs/dbraw/zinc/80/18/66/1167801866.db2.gz FLTRVDPBRJCAGN-UHFFFAOYSA-N -1 1 317.378 0.693 20 0 DCADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1CC1OCCO1 ZINC001593493550 1167877145 /nfs/dbraw/zinc/87/71/45/1167877145.db2.gz AANSFWSOIZVJBH-UHFFFAOYSA-N -1 1 305.319 0.616 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1ncccc1C(F)(F)F ZINC001593494173 1167877713 /nfs/dbraw/zinc/87/77/13/1167877713.db2.gz IFJATLMVXHOSMU-UHFFFAOYSA-N -1 1 323.238 0.886 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ccc2c(c1)OCCO2 ZINC001593496214 1167879495 /nfs/dbraw/zinc/87/94/95/1167879495.db2.gz DSAOHRQINFSMMX-UHFFFAOYSA-N -1 1 311.301 0.848 20 0 DCADMM O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001593519818 1167893882 /nfs/dbraw/zinc/89/38/82/1167893882.db2.gz RBOREGJUEQNZRM-ADEWGFFLSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001593519818 1167893885 /nfs/dbraw/zinc/89/38/85/1167893885.db2.gz RBOREGJUEQNZRM-ADEWGFFLSA-N -1 1 301.354 0.787 20 0 DCADMM OC[C@H](CNc1cc(-c2nnn[n-]2)ncn1)Cc1cccnc1 ZINC001593524762 1167902063 /nfs/dbraw/zinc/90/20/63/1167902063.db2.gz RSMYMAGLZDNEEU-NSHDSACASA-N -1 1 312.337 0.315 20 0 DCADMM OC[C@H](CNc1cc(-c2nn[n-]n2)ncn1)Cc1cccnc1 ZINC001593524762 1167902066 /nfs/dbraw/zinc/90/20/66/1167902066.db2.gz RSMYMAGLZDNEEU-NSHDSACASA-N -1 1 312.337 0.315 20 0 DCADMM OC[C@H]1c2ccccc2CCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001593528582 1167904475 /nfs/dbraw/zinc/90/44/75/1167904475.db2.gz JJPXFZZHWBSMMT-ZDUSSCGKSA-N -1 1 309.333 0.753 20 0 DCADMM OC[C@H]1c2ccccc2CCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001593528582 1167904484 /nfs/dbraw/zinc/90/44/84/1167904484.db2.gz JJPXFZZHWBSMMT-ZDUSSCGKSA-N -1 1 309.333 0.753 20 0 DCADMM OCCN(Cc1nc(-c2nnn[n-]2)cs1)Cc1cccnc1 ZINC001593533695 1167915926 /nfs/dbraw/zinc/91/59/26/1167915926.db2.gz WXBSUYLOOMCJGN-UHFFFAOYSA-N -1 1 317.378 0.713 20 0 DCADMM OCCN(Cc1nc(-c2nn[n-]n2)cs1)Cc1cccnc1 ZINC001593533695 1167915934 /nfs/dbraw/zinc/91/59/34/1167915934.db2.gz WXBSUYLOOMCJGN-UHFFFAOYSA-N -1 1 317.378 0.713 20 0 DCADMM OCc1nnn2c1CN(Cc1csc(-c3nn[n-]n3)c1)CC2 ZINC001593536127 1167919397 /nfs/dbraw/zinc/91/93/97/1167919397.db2.gz SJZDDZIUJDVXGF-UHFFFAOYSA-N -1 1 318.366 0.028 20 0 DCADMM O[C@H]1C[C@H](Nc2cc(Br)cnc2-c2nnn[n-]2)C1 ZINC001593538169 1167922044 /nfs/dbraw/zinc/92/20/44/1167922044.db2.gz YLRIBLZAGWCYFM-LJGSYFOKSA-N -1 1 311.143 0.959 20 0 DCADMM O[C@H]1C[C@H](Nc2cc(Br)cnc2-c2nn[n-]n2)C1 ZINC001593538169 1167922051 /nfs/dbraw/zinc/92/20/51/1167922051.db2.gz YLRIBLZAGWCYFM-LJGSYFOKSA-N -1 1 311.143 0.959 20 0 DCADMM c1ncn(-c2ccc(CNc3cccnc3-c3nnn[n-]3)cn2)n1 ZINC001593583590 1167949462 /nfs/dbraw/zinc/94/94/62/1167949462.db2.gz AANWXMWCZBJHLG-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1ncn(-c2ccc(CNc3cccnc3-c3nn[n-]n3)cn2)n1 ZINC001593583590 1167949465 /nfs/dbraw/zinc/94/94/65/1167949465.db2.gz AANWXMWCZBJHLG-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nc(N2CC(CC3CCOCC3)C2)cnc1-c1nnn[n-]1 ZINC001593591621 1167954751 /nfs/dbraw/zinc/95/47/51/1167954751.db2.gz RKTWYXVGALRJBG-UHFFFAOYSA-N -1 1 301.354 0.910 20 0 DCADMM c1nc(N2CC(CC3CCOCC3)C2)cnc1-c1nn[n-]n1 ZINC001593591621 1167954755 /nfs/dbraw/zinc/95/47/55/1167954755.db2.gz RKTWYXVGALRJBG-UHFFFAOYSA-N -1 1 301.354 0.910 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CCSC3(CCOCC3)C2)n1 ZINC001593590961 1167954830 /nfs/dbraw/zinc/95/48/30/1167954830.db2.gz GHGPLNLHWJUIRI-UHFFFAOYSA-N -1 1 319.394 0.759 20 0 DCADMM Cc1c(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cnn1C ZINC001600010428 1168096379 /nfs/dbraw/zinc/09/63/79/1168096379.db2.gz INJCESZPOFUIGA-LBPRGKRZSA-N -1 1 304.354 0.855 20 0 DCADMM Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)oc1C(=O)[O-] ZINC001600080637 1168113726 /nfs/dbraw/zinc/11/37/26/1168113726.db2.gz TXGDMCWNINWAKR-WDEREUQCSA-N -1 1 308.334 0.567 20 0 DCADMM Cc1cc(C)n(CCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)n1 ZINC001600179103 1168130440 /nfs/dbraw/zinc/13/04/40/1168130440.db2.gz UVGHOMCDCPUQFE-AWEZNQCLSA-N -1 1 322.409 0.897 20 0 DCADMM Cc1cc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c(C)nn1 ZINC001600195702 1168136407 /nfs/dbraw/zinc/13/64/07/1168136407.db2.gz OQMAMLGSFQNVCF-INIZCTEOSA-N -1 1 320.393 0.455 20 0 DCADMM Cc1cc(Cn2cc(CN3CCN(C)CC3)nn2)oc1C(=O)[O-] ZINC001600221683 1168140254 /nfs/dbraw/zinc/14/02/54/1168140254.db2.gz FPEGAGURSIFAFG-UHFFFAOYSA-N -1 1 319.365 0.673 20 0 DCADMM Cc1cc(N2CC[C@H](NCc3c[nH]c(C(=O)[O-])c3)C2=O)n(C)n1 ZINC001600238909 1168144010 /nfs/dbraw/zinc/14/40/10/1168144010.db2.gz KGABRBCHWSTXTN-NSHDSACASA-N -1 1 317.349 0.650 20 0 DCADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2nn[nH]n2)cc1 ZINC001600374966 1168175891 /nfs/dbraw/zinc/17/58/91/1168175891.db2.gz WTHFZYCERIQUIV-LLVKDONJSA-N -1 1 303.322 0.773 20 0 DCADMM Cc1ccc(CN2CCN3CCOC[C@]3(CO)C2)cc1C(=O)[O-] ZINC001600414014 1168180414 /nfs/dbraw/zinc/18/04/14/1168180414.db2.gz CIVGHUKTPGUGQO-QGZVFWFLSA-N -1 1 320.389 0.572 20 0 DCADMM Cc1ccccc1C[C@@H](C)NC(=O)CN1CC[C@](O)(C(=O)[O-])C1 ZINC001600576953 1168202163 /nfs/dbraw/zinc/20/21/63/1168202163.db2.gz LSZGYABRRJIXTQ-CXAGYDPISA-N -1 1 320.389 0.564 20 0 DCADMM Cc1nn(C)cc1CNC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001600779248 1168291759 /nfs/dbraw/zinc/29/17/59/1168291759.db2.gz YRBXHAKLXSENBN-VXGBXAGGSA-N -1 1 306.366 0.188 20 0 DCADMM Cc1nnc(SCCC(=O)N2CCC(O)(C(=O)[O-])CC2)[nH]1 ZINC001600799044 1168299381 /nfs/dbraw/zinc/29/93/81/1168299381.db2.gz FUANOBGDTXLOSJ-UHFFFAOYSA-N -1 1 314.367 0.033 20 0 DCADMM Cc1nonc1CNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600818276 1168474478 /nfs/dbraw/zinc/47/44/78/1168474478.db2.gz DOCJTJJJJVVKKP-VIFPVBQESA-N -1 1 311.342 0.068 20 0 DCADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)NC[C@@H]1C ZINC001600832590 1168479352 /nfs/dbraw/zinc/47/93/52/1168479352.db2.gz VYYZXNSZOMHVBA-SFYZADRCSA-N -1 1 302.352 0.657 20 0 DCADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001600834012 1168479789 /nfs/dbraw/zinc/47/97/89/1168479789.db2.gz WOVASDWDBCRRBY-VHSXEESVSA-N -1 1 314.363 0.611 20 0 DCADMM Cn1c(CNC[C@@H]2CCCCS2(=O)=O)ccc1C(=O)[O-] ZINC001600915710 1168507756 /nfs/dbraw/zinc/50/77/56/1168507756.db2.gz IQJKBSBMKPXNBK-NSHDSACASA-N -1 1 300.380 0.780 20 0 DCADMM Cn1c(CNCCC(=O)NCCC(=O)[O-])nc2ccccc21 ZINC001600915879 1168507850 /nfs/dbraw/zinc/50/78/50/1168507850.db2.gz KREXNVVYJZSAGG-UHFFFAOYSA-N -1 1 304.350 0.644 20 0 DCADMM Cn1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)c(=O)n(C)c1=O ZINC001600952028 1168528730 /nfs/dbraw/zinc/52/87/30/1168528730.db2.gz CFCNRKHZDZFKDU-GFCCVEGCSA-N -1 1 321.308 0.139 20 0 DCADMM Cn1ccnc1CNCC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCCC1 ZINC001600986447 1168546154 /nfs/dbraw/zinc/54/61/54/1168546154.db2.gz DAUBWIKDMGNDAG-NEPJUHHUSA-N -1 1 320.393 0.659 20 0 DCADMM Cn1cnnc1N1CCN(Cc2ccccc2CC(=O)[O-])CC1 ZINC001600995169 1168552559 /nfs/dbraw/zinc/55/25/59/1168552559.db2.gz MKILRXJGEANBPA-UHFFFAOYSA-N -1 1 315.377 0.764 20 0 DCADMM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001601000872 1168555865 /nfs/dbraw/zinc/55/58/65/1168555865.db2.gz PAOXNEMSHICPDL-SSDOTTSWSA-N -1 1 321.293 0.227 20 0 DCADMM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC001601000872 1168555873 /nfs/dbraw/zinc/55/58/73/1168555873.db2.gz PAOXNEMSHICPDL-SSDOTTSWSA-N -1 1 321.293 0.227 20 0 DCADMM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001601001260 1168556690 /nfs/dbraw/zinc/55/66/90/1168556690.db2.gz YTNXJAHYXODZQH-CMPLNLGQSA-N -1 1 306.366 0.865 20 0 DCADMM Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001601006654 1168558938 /nfs/dbraw/zinc/55/89/38/1168558938.db2.gz FQBMXENNKACVOT-JTQLQIEISA-N -1 1 319.365 0.866 20 0 DCADMM Cn1nnnc1CC[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001601044331 1168577199 /nfs/dbraw/zinc/57/71/99/1168577199.db2.gz QDYSILAXOZRHLQ-SFYZADRCSA-N -1 1 307.276 0.338 20 0 DCADMM N[C@H](Cc1ccccn1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001601205335 1168657833 /nfs/dbraw/zinc/65/78/33/1168657833.db2.gz QGWTZHONFLXRCV-ZJMQZLNVSA-N -1 1 303.362 0.567 20 0 DCADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)C[C@@H]1CSCCS1 ZINC001601256425 1168678711 /nfs/dbraw/zinc/67/87/11/1168678711.db2.gz QLFZCVNVMWJHIP-NXEZZACHSA-N -1 1 315.420 0.760 20 0 DCADMM O=C([O-])c1c(NC(=O)CCN2CC[C@H](F)C2)nc2n1CCC2 ZINC001601275059 1168686376 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CC1(C)C[C@@H](O)CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603764680 1169381834 /nfs/dbraw/zinc/38/18/34/1169381834.db2.gz HVIRHMDZYOEQIA-SECBINFHSA-N -1 1 302.338 0.495 20 0 DCADMM CC1(C)C[C@@H](O)CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603764680 1169381841 /nfs/dbraw/zinc/38/18/41/1169381841.db2.gz HVIRHMDZYOEQIA-SECBINFHSA-N -1 1 302.338 0.495 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CC[C@H](C2OCCO2)C1)C(=O)[O-] ZINC001603775174 1169387334 /nfs/dbraw/zinc/38/73/34/1169387334.db2.gz DTOPFPCDUDNLNU-RYUDHWBXSA-N -1 1 314.382 0.297 20 0 DCADMM CC1(C)OC[C@@H](CNC(=O)c2cccc(F)c2-c2nnn[n-]2)O1 ZINC001603794086 1169395234 /nfs/dbraw/zinc/39/52/34/1169395234.db2.gz DNIPHDPPRWSDGL-MRVPVSSYSA-N -1 1 321.312 0.887 20 0 DCADMM CC1(C)OC[C@@H](CNC(=O)c2cccc(F)c2-c2nn[n-]n2)O1 ZINC001603794086 1169395240 /nfs/dbraw/zinc/39/52/40/1169395240.db2.gz DNIPHDPPRWSDGL-MRVPVSSYSA-N -1 1 321.312 0.887 20 0 DCADMM C[C@]1(CNC(=O)c2csc(-c3nn[n-]n3)c2)CCC(=O)N1 ZINC001603804783 1169397459 /nfs/dbraw/zinc/39/74/59/1169397459.db2.gz KZKMIUCWQVNGIA-GFCCVEGCSA-N -1 1 306.351 0.327 20 0 DCADMM CC1(CCNC(=O)c2cccc(-c3nnn[n-]3)n2)OCCO1 ZINC001603800757 1169398651 /nfs/dbraw/zinc/39/86/51/1169398651.db2.gz RSNXADARVWECAT-UHFFFAOYSA-N -1 1 304.310 0.145 20 0 DCADMM CC1(CCNC(=O)c2cccc(-c3nn[n-]n3)n2)OCCO1 ZINC001603800757 1169398653 /nfs/dbraw/zinc/39/86/53/1169398653.db2.gz RSNXADARVWECAT-UHFFFAOYSA-N -1 1 304.310 0.145 20 0 DCADMM C[C@@]1(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCCOC1 ZINC001603813436 1169400806 /nfs/dbraw/zinc/40/08/06/1169400806.db2.gz JMZYSSMDRMOWEM-CYBMUJFWSA-N -1 1 303.326 0.952 20 0 DCADMM C[C@@]1(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCCOC1 ZINC001603813436 1169400810 /nfs/dbraw/zinc/40/08/10/1169400810.db2.gz JMZYSSMDRMOWEM-CYBMUJFWSA-N -1 1 303.326 0.952 20 0 DCADMM C[C@@]1(O)CCCN(Cn2cccc(-c3nn[n-]n3)c2=O)CC1 ZINC001603820635 1169404023 /nfs/dbraw/zinc/40/40/23/1169404023.db2.gz UEDYLVZGWANWOB-CQSZACIVSA-N -1 1 304.354 0.223 20 0 DCADMM CC1=C[C@@H](C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603827234 1169406421 /nfs/dbraw/zinc/40/64/21/1169406421.db2.gz MDXXSCSGLUNFON-SECBINFHSA-N -1 1 320.378 0.848 20 0 DCADMM CC1=C[C@@H](C)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603827234 1169406427 /nfs/dbraw/zinc/40/64/27/1169406427.db2.gz MDXXSCSGLUNFON-SECBINFHSA-N -1 1 320.378 0.848 20 0 DCADMM C[C@H]1C[C@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001603851302 1169412459 /nfs/dbraw/zinc/41/24/59/1169412459.db2.gz XJQNBYLEPJYUEC-CMPLNLGQSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@H]1C[C@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001603851302 1169412467 /nfs/dbraw/zinc/41/24/67/1169412467.db2.gz XJQNBYLEPJYUEC-CMPLNLGQSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001603865473 1169416476 /nfs/dbraw/zinc/41/64/76/1169416476.db2.gz SAALNNFHKJMULX-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001603865473 1169416479 /nfs/dbraw/zinc/41/64/79/1169416479.db2.gz SAALNNFHKJMULX-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1=O ZINC001603870511 1169419692 /nfs/dbraw/zinc/41/96/92/1169419692.db2.gz IDTCSOXXSYQDOO-NQMVMOMDSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1=O ZINC001603870511 1169419698 /nfs/dbraw/zinc/41/96/98/1169419698.db2.gz IDTCSOXXSYQDOO-NQMVMOMDSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1CCCC[C@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001603892041 1169422944 /nfs/dbraw/zinc/42/29/44/1169422944.db2.gz WIBREPDNLONDHM-RKDXNWHRSA-N -1 1 319.369 0.255 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@H](C)S1=O ZINC001603932652 1169441209 /nfs/dbraw/zinc/44/12/09/1169441209.db2.gz WUYLUYAAYKKLSA-IUCAKERBSA-N -1 1 320.378 0.243 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@H](C)S1=O ZINC001603932652 1169441210 /nfs/dbraw/zinc/44/12/10/1169441210.db2.gz WUYLUYAAYKKLSA-IUCAKERBSA-N -1 1 320.378 0.243 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)[C@H](C)CO1 ZINC001603937125 1169443037 /nfs/dbraw/zinc/44/30/37/1169443037.db2.gz CAZOERRMZDDWNX-RKDXNWHRSA-N -1 1 324.366 0.060 20 0 DCADMM C[C@H]1OCC[C@]1(O)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603953786 1169447705 /nfs/dbraw/zinc/44/77/05/1169447705.db2.gz KRSYZLZHXFSQRV-KRTXAFLBSA-N -1 1 309.351 0.198 20 0 DCADMM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603955475 1169451653 /nfs/dbraw/zinc/45/16/53/1169451653.db2.gz SCHMCRTYSZNNGB-BIIVOSGPSA-N -1 1 304.310 0.197 20 0 DCADMM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603955475 1169451657 /nfs/dbraw/zinc/45/16/57/1169451657.db2.gz SCHMCRTYSZNNGB-BIIVOSGPSA-N -1 1 304.310 0.197 20 0 DCADMM C/C=C(/C)C(=O)NC/C=C\CNc1ccnc(-c2nn[n-]n2)n1 ZINC001603961608 1169452737 /nfs/dbraw/zinc/45/27/37/1169452737.db2.gz DLIVEMPFUZSIOA-JXQVMNEHSA-N -1 1 314.353 0.129 20 0 DCADMM C/C=C(/C)C(=O)NC[C@@H](CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603960950 1169453407 /nfs/dbraw/zinc/45/34/07/1169453407.db2.gz GDWFEDITSFYNRF-ZUYFITGHSA-N -1 1 316.369 0.352 20 0 DCADMM CC[C@@](C)(O)CNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001603986819 1169463648 /nfs/dbraw/zinc/46/36/48/1169463648.db2.gz HUKVCOLNIQXRGR-LLVKDONJSA-N -1 1 311.371 0.914 20 0 DCADMM CC[C@@](C)(O)CNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001603986819 1169463651 /nfs/dbraw/zinc/46/36/51/1169463651.db2.gz HUKVCOLNIQXRGR-LLVKDONJSA-N -1 1 311.371 0.914 20 0 DCADMM CC(C)c1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n[nH]1 ZINC001603988469 1169465567 /nfs/dbraw/zinc/46/55/67/1169465567.db2.gz UUSKRXBEUZMRAM-ZJUUUORDSA-N -1 1 320.349 0.194 20 0 DCADMM CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604007840 1169470757 /nfs/dbraw/zinc/47/07/57/1169470757.db2.gz RENWAIAMEILOGJ-BDAKNGLRSA-N -1 1 318.337 0.722 20 0 DCADMM CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604007840 1169470759 /nfs/dbraw/zinc/47/07/59/1169470759.db2.gz RENWAIAMEILOGJ-BDAKNGLRSA-N -1 1 318.337 0.722 20 0 DCADMM CC[C@H](C[C@@H](C)O)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001604015636 1169473487 /nfs/dbraw/zinc/47/34/87/1169473487.db2.gz KPYLCSIXDJIGQD-HTQZYQBOSA-N -1 1 308.346 0.271 20 0 DCADMM CC[C@H](C[C@@H](C)O)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001604015636 1169473488 /nfs/dbraw/zinc/47/34/88/1169473488.db2.gz KPYLCSIXDJIGQD-HTQZYQBOSA-N -1 1 308.346 0.271 20 0 DCADMM CC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CC1(C)C ZINC001604047909 1169478601 /nfs/dbraw/zinc/47/86/01/1169478601.db2.gz SAGJOEUPVGVJGG-IUCAKERBSA-N -1 1 304.358 0.399 20 0 DCADMM C[C@@](CC(=O)[O-])(NS(=O)(=O)c1ncc[nH]1)c1ccccn1 ZINC001604090501 1169489397 /nfs/dbraw/zinc/48/93/97/1169489397.db2.gz QTTTYMCGGPIXKE-LBPRGKRZSA-N -1 1 310.335 0.473 20 0 DCADMM C[C@@H](CC(=O)[O-])C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC001604094318 1169491767 /nfs/dbraw/zinc/49/17/67/1169491767.db2.gz NTFYEIZATSNURR-XPTSAGLGSA-N -1 1 317.349 0.728 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001604118145 1169498369 /nfs/dbraw/zinc/49/83/69/1169498369.db2.gz LXOOECKWFKBPRL-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001604118145 1169498371 /nfs/dbraw/zinc/49/83/71/1169498371.db2.gz LXOOECKWFKBPRL-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM CCCC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001604117680 1169498543 /nfs/dbraw/zinc/49/85/43/1169498543.db2.gz AANJDQPWFPQKSI-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001604117680 1169498550 /nfs/dbraw/zinc/49/85/50/1169498550.db2.gz AANJDQPWFPQKSI-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCC[C@H](CCO)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001604145567 1169505638 /nfs/dbraw/zinc/50/56/38/1169505638.db2.gz VTVJOZPNHMMREP-SECBINFHSA-N -1 1 320.353 0.557 20 0 DCADMM CCCCC1(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001604170671 1169512509 /nfs/dbraw/zinc/51/25/09/1169512509.db2.gz YIYLOLBZHHEFFY-VIFPVBQESA-N -1 1 304.358 0.858 20 0 DCADMM C[C@H](CNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)N1CCN(C)CC1 ZINC001604177859 1169516002 /nfs/dbraw/zinc/51/60/02/1169516002.db2.gz GWVKQARHBHXFLF-DGCLKSJQSA-N -1 1 310.398 0.095 20 0 DCADMM C[C@H](CN[C@H]1CCCn2nc(C(=O)[O-])cc21)S(C)(=O)=O ZINC001604186308 1169518299 /nfs/dbraw/zinc/51/82/99/1169518299.db2.gz XLBWMLYNFHNKKO-BDAKNGLRSA-N -1 1 301.368 0.439 20 0 DCADMM CCCNC(=O)[C@@H](C)OC(=O)c1ccsc1-c1nnn[n-]1 ZINC001604219599 1169525833 /nfs/dbraw/zinc/52/58/33/1169525833.db2.gz MGWKLPMAVGBUOR-SSDOTTSWSA-N -1 1 309.351 1.000 20 0 DCADMM CCCc1noc(Cn2c(=O)ccc(-c3nn[n-]n3)c2OC)n1 ZINC001604250987 1169532377 /nfs/dbraw/zinc/53/23/77/1169532377.db2.gz PXDBTJPSAZOVLJ-UHFFFAOYSA-N -1 1 317.309 0.421 20 0 DCADMM C[C@@H](NC(=O)CCc1ocnc1C(=O)[O-])[C@@H]1CN(C)CCN1C ZINC001604274503 1169542631 /nfs/dbraw/zinc/54/26/31/1169542631.db2.gz DYAPQSWFMZFDML-MNOVXSKESA-N -1 1 324.381 0.056 20 0 DCADMM CCOC(=O)c1cnn(C[C@@H]2COC(C)(C)O2)c1-c1nn[n-]n1 ZINC001604391181 1169580189 /nfs/dbraw/zinc/58/01/89/1169580189.db2.gz UNHYRUYZMNMKTR-MRVPVSSYSA-N -1 1 322.325 0.391 20 0 DCADMM CCO[C@H]1[C@H](C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001604405777 1169584393 /nfs/dbraw/zinc/58/43/93/1169584393.db2.gz MWQNYJXOIWIAPC-WHGOUJPWSA-N -1 1 318.337 0.880 20 0 DCADMM CCO[C@H]1COCC[C@H]1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001604413967 1169588901 /nfs/dbraw/zinc/58/89/01/1169588901.db2.gz NIQBKTUAUCCHJX-KOLCDFICSA-N -1 1 305.342 0.571 20 0 DCADMM CCO[C@H]1COCC[C@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001604413967 1169588906 /nfs/dbraw/zinc/58/89/06/1169588906.db2.gz NIQBKTUAUCCHJX-KOLCDFICSA-N -1 1 305.342 0.571 20 0 DCADMM CCOc1nc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)co1 ZINC001604470084 1169598047 /nfs/dbraw/zinc/59/80/47/1169598047.db2.gz OEFSJKXKDYTOKF-UHFFFAOYSA-N -1 1 315.293 0.578 20 0 DCADMM CCOc1nc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)co1 ZINC001604470084 1169598053 /nfs/dbraw/zinc/59/80/53/1169598053.db2.gz OEFSJKXKDYTOKF-UHFFFAOYSA-N -1 1 315.293 0.578 20 0 DCADMM CC1(C)C[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])no2)CCO1 ZINC001604514836 1169607917 /nfs/dbraw/zinc/60/79/17/1169607917.db2.gz REKIBOYLHIRPFP-MRVPVSSYSA-N -1 1 318.351 0.856 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@](C)(CO)C2)n1 ZINC001604544666 1169612759 /nfs/dbraw/zinc/61/27/59/1169612759.db2.gz QJNXUPLWFFTXAX-CQSZACIVSA-N -1 1 303.370 0.818 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@](C)(CO)C2)n1 ZINC001604544666 1169612761 /nfs/dbraw/zinc/61/27/61/1169612761.db2.gz QJNXUPLWFFTXAX-CQSZACIVSA-N -1 1 303.370 0.818 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCCC[C@H]2O)n1 ZINC001604541685 1169613198 /nfs/dbraw/zinc/61/31/98/1169613198.db2.gz GQEIASBVXBTVDC-GHMZBOCLSA-N -1 1 303.370 0.959 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCCC[C@H]2O)n1 ZINC001604541685 1169613205 /nfs/dbraw/zinc/61/32/05/1169613205.db2.gz GQEIASBVXBTVDC-GHMZBOCLSA-N -1 1 303.370 0.959 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCNC(=O)[C@H]2C(C)C)n1 ZINC001604546945 1169614489 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C[C@@H]1C[C@H]1C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001605426539 1169918152 /nfs/dbraw/zinc/91/81/52/1169918152.db2.gz QPLIWMHVGXLFOV-JAFKPYBISA-N -1 1 314.353 0.397 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001605426539 1169918157 /nfs/dbraw/zinc/91/81/57/1169918157.db2.gz QPLIWMHVGXLFOV-JAFKPYBISA-N -1 1 314.353 0.397 20 0 DCADMM CCN1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)[C@@H](C)C1 ZINC001605482292 1169936344 /nfs/dbraw/zinc/93/63/44/1169936344.db2.gz PWKDVOYULMWPAP-NSHDSACASA-N -1 1 306.366 0.744 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCc2ccncc21 ZINC001605506674 1169942225 /nfs/dbraw/zinc/94/22/25/1169942225.db2.gz LDHQJNJVNONHEN-UHFFFAOYSA-N -1 1 323.316 0.874 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NO[C@H]1CCCCO1 ZINC001605510317 1169942969 /nfs/dbraw/zinc/94/29/69/1169942969.db2.gz OQRGSPQNLVBNNJ-VIFPVBQESA-N -1 1 320.309 0.464 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1 ZINC001605558791 1169961382 /nfs/dbraw/zinc/96/13/82/1169961382.db2.gz YXZXBJDJDYJIMO-NXEZZACHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1 ZINC001605558791 1169961386 /nfs/dbraw/zinc/96/13/86/1169961386.db2.gz YXZXBJDJDYJIMO-NXEZZACHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2([S@@](C)=O)CCC2)n1 ZINC001605573746 1169962284 /nfs/dbraw/zinc/96/22/84/1169962284.db2.gz HBOBYXPUOKNTLB-OAQYLSRUSA-N -1 1 307.383 0.678 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2([S@@](C)=O)CCC2)n1 ZINC001605573746 1169962291 /nfs/dbraw/zinc/96/22/91/1169962291.db2.gz HBOBYXPUOKNTLB-OAQYLSRUSA-N -1 1 307.383 0.678 20 0 DCADMM CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CF)C(=O)[O-])o1 ZINC001605572233 1169962447 /nfs/dbraw/zinc/96/24/47/1169962447.db2.gz FCXBMKMTRVQKOM-ZCFIWIBFSA-N -1 1 309.271 0.157 20 0 DCADMM Cc1cc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001605689679 1169984948 /nfs/dbraw/zinc/98/49/48/1169984948.db2.gz WWNMVBMYLPNXTH-UWVGGRQHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1cc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605689679 1169984955 /nfs/dbraw/zinc/98/49/55/1169984955.db2.gz WWNMVBMYLPNXTH-UWVGGRQHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1nn(C)c(NC(=O)Cc2ccc(C)nc2)c1-c1nnn[n-]1 ZINC001605838848 1170010063 /nfs/dbraw/zinc/01/00/63/1170010063.db2.gz ULBQPANBYYQLBO-UHFFFAOYSA-N -1 1 312.337 0.793 20 0 DCADMM Cc1nn(C)c(NC(=O)Cc2ccc(C)nc2)c1-c1nn[n-]n1 ZINC001605838848 1170010068 /nfs/dbraw/zinc/01/00/68/1170010068.db2.gz ULBQPANBYYQLBO-UHFFFAOYSA-N -1 1 312.337 0.793 20 0 DCADMM Cc1ccc(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001605849540 1170011379 /nfs/dbraw/zinc/01/13/79/1170011379.db2.gz DMMIRBFYLGRERE-SNVBAGLBSA-N -1 1 312.337 0.644 20 0 DCADMM Cc1ccc(N2CCc3n[nH]c(=O)cc3C2)c(-c2nnn[n-]2)n1 ZINC001605868578 1170017855 /nfs/dbraw/zinc/01/78/55/1170017855.db2.gz LONMKQPKNSCGCL-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM Cc1ccc(N2CCc3n[nH]c(=O)cc3C2)c(-c2nn[n-]n2)n1 ZINC001605868578 1170017858 /nfs/dbraw/zinc/01/78/58/1170017858.db2.gz LONMKQPKNSCGCL-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM Cc1ccc(N2CCN(C(=O)N(C)C)CC2)nc1-c1nnn[n-]1 ZINC001605867758 1170017990 /nfs/dbraw/zinc/01/79/90/1170017990.db2.gz VUHDXSODQDELBS-UHFFFAOYSA-N -1 1 316.369 0.374 20 0 DCADMM Cc1ccc(N2CCN(C(=O)N(C)C)CC2)nc1-c1nn[n-]n1 ZINC001605867758 1170017996 /nfs/dbraw/zinc/01/79/96/1170017996.db2.gz VUHDXSODQDELBS-UHFFFAOYSA-N -1 1 316.369 0.374 20 0 DCADMM Cc1cccc(C(=O)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001605899894 1170024113 /nfs/dbraw/zinc/02/41/13/1170024113.db2.gz NAVOOBVRIHXBRO-UHFFFAOYSA-N -1 1 311.305 0.730 20 0 DCADMM Cc1cccc(C(=O)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001605899894 1170024119 /nfs/dbraw/zinc/02/41/19/1170024119.db2.gz NAVOOBVRIHXBRO-UHFFFAOYSA-N -1 1 311.305 0.730 20 0 DCADMM Cc1cccc(NC(=O)Cn2cc(-c3nn[n-]n3)ccc2=O)c1 ZINC001605920191 1170026674 /nfs/dbraw/zinc/02/66/74/1170026674.db2.gz MRXTZLOBOVUCPT-UHFFFAOYSA-N -1 1 310.317 0.976 20 0 DCADMM CCn1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001605928010 1170028725 /nfs/dbraw/zinc/02/87/25/1170028725.db2.gz SWXUIHDIJSQQIN-FDYHWXHSSA-N -1 1 306.366 0.361 20 0 DCADMM Cc1ccn(CC(=O)NCCC(C)(C)C)c(=O)c1-c1nn[n-]n1 ZINC001605948910 1170031272 /nfs/dbraw/zinc/03/12/72/1170031272.db2.gz IJDGVHXJSFITIO-UHFFFAOYSA-N -1 1 318.381 0.889 20 0 DCADMM Cc1ccn(C)c(=O)c1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605947999 1170032369 /nfs/dbraw/zinc/03/23/69/1170032369.db2.gz LDCXHZGODNQEDY-UHFFFAOYSA-N -1 1 300.278 0.719 20 0 DCADMM Cc1ccn(C)c(=O)c1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605947999 1170032374 /nfs/dbraw/zinc/03/23/74/1170032374.db2.gz LDCXHZGODNQEDY-UHFFFAOYSA-N -1 1 300.278 0.719 20 0 DCADMM Cc1cncc(CCNC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001605984408 1170040785 /nfs/dbraw/zinc/04/07/85/1170040785.db2.gz IADOZPPLNJHWRW-UHFFFAOYSA-N -1 1 310.321 0.333 20 0 DCADMM Cc1cncc(CCNC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001605984408 1170040790 /nfs/dbraw/zinc/04/07/90/1170040790.db2.gz IADOZPPLNJHWRW-UHFFFAOYSA-N -1 1 310.321 0.333 20 0 DCADMM CN(C)[C@@H](CCNCc1cn(CC(=O)[O-])nn1)C(F)(F)F ZINC001606010110 1170048165 /nfs/dbraw/zinc/04/81/65/1170048165.db2.gz KWHIMKXHLVHWNK-VIFPVBQESA-N -1 1 309.292 0.335 20 0 DCADMM CN(C)C1(CNS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001606013072 1170049380 /nfs/dbraw/zinc/04/93/80/1170049380.db2.gz XNWKNWMIUGXMAB-GHMZBOCLSA-N -1 1 304.412 0.643 20 0 DCADMM Cc1noc([C@@H](C)N(C)c2cc(-c3nnn[n-]3)nc(C)n2)n1 ZINC001606019511 1170052043 /nfs/dbraw/zinc/05/20/43/1170052043.db2.gz GMHSPMFTWFRLTL-ZCFIWIBFSA-N -1 1 301.314 0.854 20 0 DCADMM Cc1noc([C@@H](C)N(C)c2cc(-c3nn[n-]n3)nc(C)n2)n1 ZINC001606019511 1170052051 /nfs/dbraw/zinc/05/20/51/1170052051.db2.gz GMHSPMFTWFRLTL-ZCFIWIBFSA-N -1 1 301.314 0.854 20 0 DCADMM CN(C)S(=O)(=O)CCN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001606038872 1170061758 /nfs/dbraw/zinc/06/17/58/1170061758.db2.gz HERFINGHGYMAIB-CYBMUJFWSA-N -1 1 315.395 0.253 20 0 DCADMM Cc1nc(N[C@H]2CC(=O)N(CC3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001606063653 1170066649 /nfs/dbraw/zinc/06/66/49/1170066649.db2.gz QKPIVJOFQPRPKL-JTQLQIEISA-N -1 1 314.353 0.388 20 0 DCADMM Cc1nc(N[C@H]2CC(=O)N(CC3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001606063653 1170066658 /nfs/dbraw/zinc/06/66/58/1170066658.db2.gz QKPIVJOFQPRPKL-JTQLQIEISA-N -1 1 314.353 0.388 20 0 DCADMM Cc1nc(N[C@@H]2C[C@H]3CCCCN3C2=O)cc(-c2nnn[n-]2)n1 ZINC001606064052 1170067399 /nfs/dbraw/zinc/06/73/99/1170067399.db2.gz VQKZVUXLJUGGJX-MWLCHTKSSA-N -1 1 314.353 0.530 20 0 DCADMM Cc1nc(N[C@@H]2C[C@H]3CCCCN3C2=O)cc(-c2nn[n-]n2)n1 ZINC001606064052 1170067403 /nfs/dbraw/zinc/06/74/03/1170067403.db2.gz VQKZVUXLJUGGJX-MWLCHTKSSA-N -1 1 314.353 0.530 20 0 DCADMM CN(CC(=O)NCCCNc1ncc(C(=O)[O-])cn1)C1CCC1 ZINC001606081026 1170071259 /nfs/dbraw/zinc/07/12/59/1170071259.db2.gz FAQOAOFEQNMKRJ-UHFFFAOYSA-N -1 1 321.381 0.577 20 0 DCADMM Cc1nnc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])o1 ZINC001606118752 1170080411 /nfs/dbraw/zinc/08/04/11/1170080411.db2.gz PAZYVMKGWWZCDA-UHFFFAOYSA-N -1 1 301.266 0.445 20 0 DCADMM Cc1noc(C(C)(C)NCc2cccc(-c3nnn[n-]3)n2)n1 ZINC001606127708 1170086873 /nfs/dbraw/zinc/08/68/73/1170086873.db2.gz FBFODCNGMIGONF-UHFFFAOYSA-N -1 1 300.326 0.978 20 0 DCADMM Cc1noc(C(C)(C)NCc2cccc(-c3nn[n-]n3)n2)n1 ZINC001606127708 1170086878 /nfs/dbraw/zinc/08/68/78/1170086878.db2.gz FBFODCNGMIGONF-UHFFFAOYSA-N -1 1 300.326 0.978 20 0 DCADMM Cc1nsc(N2CC[C@H](c3nncn3C)C2)c1-c1nn[n-]n1 ZINC001606145088 1170093556 /nfs/dbraw/zinc/09/35/56/1170093556.db2.gz VOSZBURFTRMICK-QMMMGPOBSA-N -1 1 317.382 0.754 20 0 DCADMM Cc1nsc(NC(=O)C(=O)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC001606148206 1170094278 /nfs/dbraw/zinc/09/42/78/1170094278.db2.gz AMBGPGLLFVBCMC-UHFFFAOYSA-N -1 1 318.322 0.187 20 0 DCADMM Cc1nsc(NC(=O)C(=O)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC001606148206 1170094285 /nfs/dbraw/zinc/09/42/85/1170094285.db2.gz AMBGPGLLFVBCMC-UHFFFAOYSA-N -1 1 318.322 0.187 20 0 DCADMM O=C([O-])CCCCNC(=O)C(=O)NCc1ccc2cncn2c1 ZINC001606160048 1170096877 /nfs/dbraw/zinc/09/68/77/1170096877.db2.gz INMIPZQQQMNQQR-UHFFFAOYSA-N -1 1 318.333 0.322 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCN(C)C(=O)[C@H]1C ZINC001606165881 1170098099 /nfs/dbraw/zinc/09/80/99/1170098099.db2.gz LMRQLDDUWGBVIA-SSDOTTSWSA-N -1 1 304.310 0.071 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCN(C)C(=O)[C@H]1C ZINC001606165881 1170098104 /nfs/dbraw/zinc/09/81/04/1170098104.db2.gz LMRQLDDUWGBVIA-SSDOTTSWSA-N -1 1 304.310 0.071 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H](O)[C@H]1CCCO1 ZINC001606167417 1170100435 /nfs/dbraw/zinc/10/04/35/1170100435.db2.gz MHCLNNVUZGGFRL-VHSXEESVSA-N -1 1 307.310 0.038 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H](O)[C@H]1CCCO1 ZINC001606167417 1170100438 /nfs/dbraw/zinc/10/04/38/1170100438.db2.gz MHCLNNVUZGGFRL-VHSXEESVSA-N -1 1 307.310 0.038 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@]2(C)CC2(C)C)c(-c2nn[n-]n2)c1=O ZINC001606205558 1170112063 /nfs/dbraw/zinc/11/20/63/1170112063.db2.gz FXMBIWUBTNGGSI-ZDUSSCGKSA-N -1 1 305.342 0.514 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2Cc3ccccc3C2)n1 ZINC001606223608 1170122061 /nfs/dbraw/zinc/12/20/61/1170122061.db2.gz WKAWXLMHECKPRH-UHFFFAOYSA-N -1 1 324.348 0.889 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2Cc3ccccc3C2)n1 ZINC001606223608 1170122062 /nfs/dbraw/zinc/12/20/62/1170122062.db2.gz WKAWXLMHECKPRH-UHFFFAOYSA-N -1 1 324.348 0.889 20 0 DCADMM CN1CCCC[C@@H]1C(=O)NCCCNc1ncc(C(=O)[O-])cn1 ZINC001606224089 1170122811 /nfs/dbraw/zinc/12/28/11/1170122811.db2.gz AIAHUCNUMZVVST-GFCCVEGCSA-N -1 1 321.381 0.577 20 0 DCADMM CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cn2)C1 ZINC001606228566 1170126337 /nfs/dbraw/zinc/12/63/37/1170126337.db2.gz FLXZXBUFLBINOK-IJLUTSLNSA-N -1 1 319.365 0.328 20 0 DCADMM CN1CCN(C(=O)[C@@]2(O)CCCC(C)(C)C2)C[C@@H](C(=O)[O-])C1 ZINC001606229412 1170126548 /nfs/dbraw/zinc/12/65/48/1170126548.db2.gz XTLAISFTQLEKQY-BLLLJJGKSA-N -1 1 312.410 0.793 20 0 DCADMM CN1CCN(C(=O)CSCC(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001606233630 1170128372 /nfs/dbraw/zinc/12/83/72/1170128372.db2.gz WNJCZBHCZYWELH-MRVPVSSYSA-N -1 1 314.329 0.757 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)Cc2ccccc2)CC1 ZINC001606241109 1170131875 /nfs/dbraw/zinc/13/18/75/1170131875.db2.gz HJYDEIZYLHRHGV-UHFFFAOYSA-N -1 1 319.405 0.390 20 0 DCADMM Cn1cc(CC2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001606241280 1170131974 /nfs/dbraw/zinc/13/19/74/1170131974.db2.gz XUGCWFFKTSSORB-UHFFFAOYSA-N -1 1 324.348 0.310 20 0 DCADMM Cn1cc(CC2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001606241280 1170131977 /nfs/dbraw/zinc/13/19/77/1170131977.db2.gz XUGCWFFKTSSORB-UHFFFAOYSA-N -1 1 324.348 0.310 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001606241021 1170132051 /nfs/dbraw/zinc/13/20/51/1170132051.db2.gz JLACWEPLWXPPNF-ZNMIVQPWSA-N -1 1 323.437 0.583 20 0 DCADMM CN1CCN(CCCS(=O)(=O)C(C)(C)C)C[C@@H](C(=O)[O-])C1 ZINC001606240882 1170132763 /nfs/dbraw/zinc/13/27/63/1170132763.db2.gz HFZQHBHZOYIOKK-LBPRGKRZSA-N -1 1 320.455 0.538 20 0 DCADMM CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])nc3)C[C@@H]21 ZINC001606250614 1170137106 /nfs/dbraw/zinc/13/71/06/1170137106.db2.gz MCYJUNGEFFDXLN-SKDRFNHKSA-N -1 1 311.363 0.104 20 0 DCADMM CNC(=O)Cc1noc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)n1 ZINC001606277114 1170145589 /nfs/dbraw/zinc/14/55/89/1170145589.db2.gz BIURRFSXOPMCAW-VWYCJHECSA-N -1 1 322.365 0.433 20 0 DCADMM FC(F)(F)c1cc(-c2nnn[n-]2)nc(N2CCOCN2)c1 ZINC001606292273 1170150519 /nfs/dbraw/zinc/15/05/19/1170150519.db2.gz QFJHJSDPAXCIHQ-UHFFFAOYSA-N -1 1 301.232 0.579 20 0 DCADMM FC(F)(F)c1cc(-c2nn[n-]n2)nc(N2CCOCN2)c1 ZINC001606292273 1170150522 /nfs/dbraw/zinc/15/05/22/1170150522.db2.gz QFJHJSDPAXCIHQ-UHFFFAOYSA-N -1 1 301.232 0.579 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC001606400686 1170186015 /nfs/dbraw/zinc/18/60/15/1170186015.db2.gz NGIOCQNCFHUBHR-CKYFFXLPSA-N -1 1 323.349 0.501 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2nn(C)c3ccccc23)C[C@H]1C(=O)[O-] ZINC001606432786 1170200163 /nfs/dbraw/zinc/20/01/63/1170200163.db2.gz UJQYPUFUVOKWFD-VXGBXAGGSA-N -1 1 317.345 0.879 20 0 DCADMM O=C(/C=C/Cn1cncn1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606480267 1170217101 /nfs/dbraw/zinc/21/71/01/1170217101.db2.gz JSBHBWTXASFJDI-OWOJBTEDSA-N -1 1 316.350 0.392 20 0 DCADMM COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001606505902 1170223567 /nfs/dbraw/zinc/22/35/67/1170223567.db2.gz MQJJCNJNVFVPQG-JFGNBEQYSA-N -1 1 323.349 0.501 20 0 DCADMM O=C(CCNc1cc(-c2nnn[n-]2)ncn1)NCc1ccccc1 ZINC001606523947 1170228001 /nfs/dbraw/zinc/22/80/01/1170228001.db2.gz LFYSCQZXTUXRMS-UHFFFAOYSA-N -1 1 324.348 0.775 20 0 DCADMM O=C(CCNc1cc(-c2nn[n-]n2)ncn1)NCc1ccccc1 ZINC001606523947 1170228006 /nfs/dbraw/zinc/22/80/06/1170228006.db2.gz LFYSCQZXTUXRMS-UHFFFAOYSA-N -1 1 324.348 0.775 20 0 DCADMM O=C(CN1CCSC1=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606549408 1170231847 /nfs/dbraw/zinc/23/18/47/1170231847.db2.gz QEUCBBGGKDPSBP-UHFFFAOYSA-N -1 1 324.391 0.713 20 0 DCADMM O=C(COCCc1ccccc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606569685 1170235553 /nfs/dbraw/zinc/23/55/53/1170235553.db2.gz PTFYTRZOVMLTGB-UHFFFAOYSA-N -1 1 313.321 0.788 20 0 DCADMM O=C(COCc1ccccn1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606569980 1170236032 /nfs/dbraw/zinc/23/60/32/1170236032.db2.gz UTMCVXGYBVMJOP-UHFFFAOYSA-N -1 1 311.305 0.812 20 0 DCADMM O=C(COCc1ccccn1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606569980 1170236036 /nfs/dbraw/zinc/23/60/36/1170236036.db2.gz UTMCVXGYBVMJOP-UHFFFAOYSA-N -1 1 311.305 0.812 20 0 DCADMM O=C(COc1ccccc1)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001606573960 1170236777 /nfs/dbraw/zinc/23/67/77/1170236777.db2.gz ITNXDSOIOPULPG-UHFFFAOYSA-N -1 1 312.289 0.072 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCOCC1CC1 ZINC001606595312 1170241104 /nfs/dbraw/zinc/24/11/04/1170241104.db2.gz VDYQQWKFVHSVCW-UHFFFAOYSA-N -1 1 302.338 0.347 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCOCC1CC1 ZINC001606595312 1170241114 /nfs/dbraw/zinc/24/11/14/1170241114.db2.gz VDYQQWKFVHSVCW-UHFFFAOYSA-N -1 1 302.338 0.347 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O)N1CCC1 ZINC001606617636 1170243983 /nfs/dbraw/zinc/24/39/83/1170243983.db2.gz XIPIUCLFQMOCTE-UHFFFAOYSA-N -1 1 316.346 0.475 20 0 DCADMM O=C(N[C@H](CCO)c1ccco1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606632664 1170248448 /nfs/dbraw/zinc/24/84/48/1170248448.db2.gz GJTZNAYPKSMGKR-SNVBAGLBSA-N -1 1 314.305 0.708 20 0 DCADMM O=C(N[C@H](CCO)c1ccco1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606632664 1170248452 /nfs/dbraw/zinc/24/84/52/1170248452.db2.gz GJTZNAYPKSMGKR-SNVBAGLBSA-N -1 1 314.305 0.708 20 0 DCADMM O=C(N[C@@H](CO)c1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606635852 1170250226 /nfs/dbraw/zinc/25/02/26/1170250226.db2.gz XPHPDPKTAUUQFS-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@@H](CO)c1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606635852 1170250232 /nfs/dbraw/zinc/25/02/32/1170250232.db2.gz XPHPDPKTAUUQFS-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NC1(C2CC2)CCOCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606641523 1170250865 /nfs/dbraw/zinc/25/08/65/1170250865.db2.gz RZKPJKNYJWGWGF-UHFFFAOYSA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NC1(C2CC2)CCOCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606641523 1170250870 /nfs/dbraw/zinc/25/08/70/1170250870.db2.gz RZKPJKNYJWGWGF-UHFFFAOYSA-N -1 1 314.349 0.951 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]1CCO)c1ccc(-c2nnn[n-]2)nc1 ZINC001606667201 1170256339 /nfs/dbraw/zinc/25/63/39/1170256339.db2.gz JSRPYPJHQUDMMK-GXSJLCMTSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]1CCO)c1ccc(-c2nn[n-]n2)nc1 ZINC001606667201 1170256347 /nfs/dbraw/zinc/25/63/47/1170256347.db2.gz JSRPYPJHQUDMMK-GXSJLCMTSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606689179 1170263398 /nfs/dbraw/zinc/26/33/98/1170263398.db2.gz OYMVEWYVSBOYRV-CMPLNLGQSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606689179 1170263403 /nfs/dbraw/zinc/26/34/03/1170263403.db2.gz OYMVEWYVSBOYRV-CMPLNLGQSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(NC[C@@H](CO)Cc1ccco1)c1coc(-c2nnn[n-]2)c1 ZINC001606694068 1170264624 /nfs/dbraw/zinc/26/46/24/1170264624.db2.gz MMTWKJGOLDKRMX-VIFPVBQESA-N -1 1 317.305 0.634 20 0 DCADMM O=C(NC[C@@H](CO)Cc1ccco1)c1coc(-c2nn[n-]n2)c1 ZINC001606694068 1170264628 /nfs/dbraw/zinc/26/46/28/1170264628.db2.gz MMTWKJGOLDKRMX-VIFPVBQESA-N -1 1 317.305 0.634 20 0 DCADMM CO[C@]1(C(=O)[O-])CCN(CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC001606702934 1170268372 /nfs/dbraw/zinc/26/83/72/1170268372.db2.gz GXDOPWJEEOOMJP-MRXNPFEDSA-N -1 1 324.352 0.926 20 0 DCADMM O=C(NCCN1CCCC1=O)c1csc(-c2nn[n-]n2)c1 ZINC001606777943 1170286406 /nfs/dbraw/zinc/28/64/06/1170286406.db2.gz OVXUWPFDACKWJR-UHFFFAOYSA-N -1 1 306.351 0.280 20 0 DCADMM O=C(NCCNc1ncccn1)c1ccc(-c2nnn[n-]2)o1 ZINC001606787092 1170288936 /nfs/dbraw/zinc/28/89/36/1170288936.db2.gz SUEDBHIBCUJJEK-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCNc1ncccn1)c1ccc(-c2nn[n-]n2)o1 ZINC001606787092 1170288941 /nfs/dbraw/zinc/28/89/41/1170288941.db2.gz SUEDBHIBCUJJEK-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccn[nH]1 ZINC001606816703 1170300213 /nfs/dbraw/zinc/30/02/13/1170300213.db2.gz PPWQKULOMXNATB-UHFFFAOYSA-N -1 1 305.248 0.798 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccn[nH]1 ZINC001606816703 1170300220 /nfs/dbraw/zinc/30/02/20/1170300220.db2.gz PPWQKULOMXNATB-UHFFFAOYSA-N -1 1 305.248 0.798 20 0 DCADMM O=C(NCc1cc2n(n1)CCCO2)c1ccc(-c2nnn[n-]2)o1 ZINC001606818779 1170301052 /nfs/dbraw/zinc/30/10/52/1170301052.db2.gz VTUAJNKICNVNQW-UHFFFAOYSA-N -1 1 315.293 0.369 20 0 DCADMM O=C(NCc1cc2n(n1)CCCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001606818779 1170301058 /nfs/dbraw/zinc/30/10/58/1170301058.db2.gz VTUAJNKICNVNQW-UHFFFAOYSA-N -1 1 315.293 0.369 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H](O)c1cccnc1 ZINC001606831524 1170306125 /nfs/dbraw/zinc/30/61/25/1170306125.db2.gz MXPCAQRSXPLJNP-LLVKDONJSA-N -1 1 316.346 0.673 20 0 DCADMM COCCN1CCC[C@H]1CNS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001606895407 1170326059 /nfs/dbraw/zinc/32/60/59/1170326059.db2.gz MRJLUIUKOWHKOA-NSHDSACASA-N -1 1 322.427 0.127 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCc2c[nH]nc2C1 ZINC001606933449 1170333796 /nfs/dbraw/zinc/33/37/96/1170333796.db2.gz MGUHOUCXZUHEQB-UHFFFAOYSA-N -1 1 311.309 0.575 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCc2c[nH]nc2C1 ZINC001606933449 1170333803 /nfs/dbraw/zinc/33/38/03/1170333803.db2.gz MGUHOUCXZUHEQB-UHFFFAOYSA-N -1 1 311.309 0.575 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnc2nccnc2c1 ZINC001606934973 1170333825 /nfs/dbraw/zinc/33/38/25/1170333825.db2.gz QPZXCCJWRVIAAC-UHFFFAOYSA-N -1 1 319.288 0.852 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnc2nccnc2c1 ZINC001606934973 1170333831 /nfs/dbraw/zinc/33/38/31/1170333831.db2.gz QPZXCCJWRVIAAC-UHFFFAOYSA-N -1 1 319.288 0.852 20 0 DCADMM O=C(OC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(-c2nn[n-]n2)o1 ZINC001606967650 1170342432 /nfs/dbraw/zinc/34/24/32/1170342432.db2.gz OMRDSJYKEPGSJA-QMMMGPOBSA-N -1 1 319.277 0.600 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCO[C@@]2(CCCOC2)C1 ZINC001607033561 1170359811 /nfs/dbraw/zinc/35/98/11/1170359811.db2.gz XLBXWCGBGSKKBD-AWEZNQCLSA-N -1 1 319.321 0.481 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCO[C@@]2(CCCOC2)C1 ZINC001607033561 1170359819 /nfs/dbraw/zinc/35/98/19/1170359819.db2.gz XLBXWCGBGSKKBD-AWEZNQCLSA-N -1 1 319.321 0.481 20 0 DCADMM O=c1[nH]c(=O)n(Cc2nc(-c3nnn[n-]3)cs2)cc1Cl ZINC001607088226 1170387749 /nfs/dbraw/zinc/38/77/49/1170387749.db2.gz IKMUQGNZEFEZJJ-UHFFFAOYSA-N -1 1 311.714 0.287 20 0 DCADMM O=c1[nH]c(=O)n(Cc2nc(-c3nn[n-]n3)cs2)cc1Cl ZINC001607088226 1170387757 /nfs/dbraw/zinc/38/77/57/1170387757.db2.gz IKMUQGNZEFEZJJ-UHFFFAOYSA-N -1 1 311.714 0.287 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@H]1CC2(CO1)CCOCC2 ZINC001607090024 1170387942 /nfs/dbraw/zinc/38/79/42/1170387942.db2.gz IEVIXPIARYKQJT-GFCCVEGCSA-N -1 1 317.349 0.614 20 0 DCADMM O[C@@H](c1cn(Cc2nc(-c3nnn[n-]3)cs2)nn1)C1CC1 ZINC001607098396 1170393214 /nfs/dbraw/zinc/39/32/14/1170393214.db2.gz XKODMTUYCKCBTL-SNVBAGLBSA-N -1 1 304.339 0.406 20 0 DCADMM O[C@@H](c1cn(Cc2nc(-c3nn[n-]n3)cs2)nn1)C1CC1 ZINC001607098396 1170393219 /nfs/dbraw/zinc/39/32/19/1170393219.db2.gz XKODMTUYCKCBTL-SNVBAGLBSA-N -1 1 304.339 0.406 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1NCCc1nnc2n1CCCC2 ZINC001607117772 1170403142 /nfs/dbraw/zinc/40/31/42/1170403142.db2.gz WMHBRQPFXRPZJP-UHFFFAOYSA-N -1 1 312.341 0.239 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1NCCc1nnc2n1CCCC2 ZINC001607117772 1170403146 /nfs/dbraw/zinc/40/31/46/1170403146.db2.gz WMHBRQPFXRPZJP-UHFFFAOYSA-N -1 1 312.341 0.239 20 0 DCADMM c1cc2c(ncnc2NCCn2cnc(-c3nn[n-]n3)n2)s1 ZINC001607137075 1170407574 /nfs/dbraw/zinc/40/75/74/1170407574.db2.gz GTYBKYCRUHVKLQ-UHFFFAOYSA-N -1 1 314.338 0.575 20 0 DCADMM c1ncc(-c2nnn[n-]2)nc1N[C@H]1CCO[C@]2(CCOC2)C1 ZINC001607138476 1170409009 /nfs/dbraw/zinc/40/90/09/1170409009.db2.gz GFTXGQBUDMMOTF-TVQRCGJNSA-N -1 1 303.326 0.407 20 0 DCADMM c1ncc(-c2nn[n-]n2)nc1N[C@H]1CCO[C@]2(CCOC2)C1 ZINC001607138476 1170409013 /nfs/dbraw/zinc/40/90/13/1170409013.db2.gz GFTXGQBUDMMOTF-TVQRCGJNSA-N 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ZINC001607948363 1170531427 /nfs/dbraw/zinc/53/14/27/1170531427.db2.gz HKFLNSXIWMAERN-WCBMZHEXSA-N -1 1 311.342 0.097 20 0 DCADMM Cc1nc(CCN2CC(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cs1 ZINC001607954435 1170533439 /nfs/dbraw/zinc/53/34/39/1170533439.db2.gz ILCDJDVVZVLGMK-QWHCGFSZSA-N -1 1 323.418 0.763 20 0 DCADMM Cc1nc2c(cccc2C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])[nH]1 ZINC001607968137 1170535640 /nfs/dbraw/zinc/53/56/40/1170535640.db2.gz BDKNULLRYRXLTN-DGCLKSJQSA-N -1 1 303.318 0.921 20 0 DCADMM Cc1nccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)n1 ZINC001607988100 1170540621 /nfs/dbraw/zinc/54/06/21/1170540621.db2.gz BDVXZNDPQYXVNG-JTQLQIEISA-N -1 1 307.354 0.798 20 0 DCADMM Cc1oc(CN(C)C(=O)C2CN([C@@H]3CCOC3)C2)cc1C(=O)[O-] ZINC001608043921 1170558334 /nfs/dbraw/zinc/55/83/34/1170558334.db2.gz DHFQABRRJJELGC-GFCCVEGCSA-N -1 1 322.361 0.965 20 0 DCADMM Cn1nc2c(c1CN1CCSC[C@@H](C(=O)[O-])C1)COCC2 ZINC001608151520 1170597220 /nfs/dbraw/zinc/59/72/20/1170597220.db2.gz LLHUWFJRNMLSPX-JTQLQIEISA-N -1 1 311.407 0.742 20 0 DCADMM Nc1nc(N)nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)n1 ZINC001608276540 1170639762 /nfs/dbraw/zinc/63/97/62/1170639762.db2.gz FDCFCZGESUMNKU-LPEHRKFASA-N -1 1 306.370 0.501 20 0 DCADMM Nc1nc(N)nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)n1 ZINC001608276540 1170639763 /nfs/dbraw/zinc/63/97/63/1170639763.db2.gz FDCFCZGESUMNKU-LPEHRKFASA-N -1 1 306.370 0.501 20 0 DCADMM O=C(CN1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)Nc1nccs1 ZINC001608337185 1170654582 /nfs/dbraw/zinc/65/45/82/1170654582.db2.gz MXYLORIMZSRLLC-TVQRCGJNSA-N -1 1 311.363 0.505 20 0 DCADMM O=C([O-])[C@@H](O)C1CCN(S(=O)(=O)c2ccccc2O)CC1 ZINC001608558578 1170701858 /nfs/dbraw/zinc/70/18/58/1170701858.db2.gz UIOGLEKVSPNNHT-LBPRGKRZSA-N -1 1 315.347 0.238 20 0 DCADMM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccc(CN3CCCC3)o2)C1 ZINC001608604348 1170714935 /nfs/dbraw/zinc/71/49/35/1170714935.db2.gz LVDJYNFCLWFDCE-NEPJUHHUSA-N -1 1 322.361 0.783 20 0 DCADMM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(CNCc2nncs2)CC1 ZINC001608611579 1170720453 /nfs/dbraw/zinc/72/04/53/1170720453.db2.gz PVUAEWWMMHNBCZ-QWRGUYRKSA-N -1 1 324.406 0.587 20 0 DCADMM O=C([O-])[C@H]1COCCN1Cc1ncc(Br)cc1O ZINC001608647706 1170731664 /nfs/dbraw/zinc/73/16/64/1170731664.db2.gz RYSHTRNGNQEZRX-SECBINFHSA-N -1 1 317.139 0.835 20 0 DCADMM O=C([O-])[C@H]1CSCCN1C(=O)c1cccc2[nH]c(CO)nc21 ZINC001608650328 1170731740 /nfs/dbraw/zinc/73/17/40/1170731740.db2.gz IYFSKUPLHNVAMH-SNVBAGLBSA-N -1 1 321.358 0.697 20 0 DCADMM O=C([O-])C[C@]1(NCc2cn(C[C@H]3CCCO3)nn2)CCCOC1 ZINC001608688692 1170737005 /nfs/dbraw/zinc/73/70/05/1170737005.db2.gz RGNIZIQEEAKKRU-UKRRQHHQSA-N -1 1 324.381 0.571 20 0 DCADMM O=C([O-])CCN1CCC[C@H](N[C@@H](CO)c2ccsc2)C1=O ZINC001608725599 1170745406 /nfs/dbraw/zinc/74/54/06/1170745406.db2.gz PZSDYQHCIAYMFF-RYUDHWBXSA-N -1 1 312.391 0.837 20 0 DCADMM O=C([O-])CCNC(=O)CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC001608728994 1170745861 /nfs/dbraw/zinc/74/58/61/1170745861.db2.gz DQJWBIOSHHLJBK-LLVKDONJSA-N -1 1 321.381 0.452 20 0 DCADMM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCC(c3nn[nH]n3)CC2)O1 ZINC001608735558 1170747345 /nfs/dbraw/zinc/74/73/45/1170747345.db2.gz BPMTUDYUJQBTTK-WDEREUQCSA-N -1 1 323.353 0.318 20 0 DCADMM O=C([O-])CCc1ccccc1C(=O)NCc1n[nH]c(CO)n1 ZINC001608740668 1170748002 /nfs/dbraw/zinc/74/80/02/1170748002.db2.gz LSGVAQWIRQZDPR-UHFFFAOYSA-N -1 1 304.306 0.244 20 0 DCADMM O=C([O-])CNC(=O)CCN1CCC(C(=O)C(F)(F)F)CC1 ZINC001608752522 1170750045 /nfs/dbraw/zinc/75/00/45/1170750045.db2.gz YXVBPQIPQIPEHC-UHFFFAOYSA-N -1 1 310.272 0.421 20 0 DCADMM O=C([O-])c1ccc(C(=O)N2CCOC[C@H]2c2nn[nH]n2)cc1F ZINC001608873133 1170767590 /nfs/dbraw/zinc/76/75/90/1170767590.db2.gz MSNKJJAEGAPYIX-JTQLQIEISA-N -1 1 321.268 0.251 20 0 DCADMM C[C@H](C(=O)N[C@H]1CC2CCC1CC2)n1cnc(-c2nn[n-]n2)n1 ZINC001609069117 1170798634 /nfs/dbraw/zinc/79/86/34/1170798634.db2.gz QYTUYKKROHFQGI-SFXRXQKFSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)(C)N1C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CC1=O ZINC001609075699 1170800147 /nfs/dbraw/zinc/80/01/47/1170800147.db2.gz CDFIPOWMOVIUGQ-MRVPVSSYSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(C)N1C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CC1=O ZINC001609075699 1170800148 /nfs/dbraw/zinc/80/01/48/1170800148.db2.gz CDFIPOWMOVIUGQ-MRVPVSSYSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)COCCOC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609096807 1170805773 /nfs/dbraw/zinc/80/57/73/1170805773.db2.gz ZAQKLIFWIUOXKC-SECBINFHSA-N -1 1 309.330 0.235 20 0 DCADMM CC(C)OC(=O)CCCNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609100539 1170810209 /nfs/dbraw/zinc/81/02/09/1170810209.db2.gz QVMURPUIDKNGHZ-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CC(C)OC(=O)CCCNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609100539 1170810214 /nfs/dbraw/zinc/81/02/14/1170810214.db2.gz QVMURPUIDKNGHZ-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CC(C)n1ncnc1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609107818 1170812117 /nfs/dbraw/zinc/81/21/17/1170812117.db2.gz LVWPLXFANZLEDF-UHFFFAOYSA-N -1 1 303.282 0.989 20 0 DCADMM CC(C)c1nnc(CNc2cc(-c3nnn[n-]3)ncn2)n1C ZINC001609107224 1170812616 /nfs/dbraw/zinc/81/26/16/1170812616.db2.gz ZIVOZSZTUUQOQY-UHFFFAOYSA-N -1 1 300.330 0.521 20 0 DCADMM CC(C)c1nnc(CNc2cc(-c3nn[n-]n3)ncn2)n1C ZINC001609107224 1170812617 /nfs/dbraw/zinc/81/26/17/1170812617.db2.gz ZIVOZSZTUUQOQY-UHFFFAOYSA-N -1 1 300.330 0.521 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(C)(C)O ZINC001609125536 1170819269 /nfs/dbraw/zinc/81/92/69/1170819269.db2.gz DSCPLPJUXGYGMY-ZCFIWIBFSA-N -1 1 317.396 0.366 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)C(C)(C)O ZINC001609125536 1170819274 /nfs/dbraw/zinc/81/92/74/1170819274.db2.gz DSCPLPJUXGYGMY-ZCFIWIBFSA-N -1 1 317.396 0.366 20 0 DCADMM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)NC(C)(C)C ZINC001609132196 1170822163 /nfs/dbraw/zinc/82/21/63/1170822163.db2.gz MHAFGFAXEVUPFM-MRVPVSSYSA-N -1 1 318.337 0.722 20 0 DCADMM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)NC(C)(C)C ZINC001609132196 1170822169 /nfs/dbraw/zinc/82/21/69/1170822169.db2.gz MHAFGFAXEVUPFM-MRVPVSSYSA-N -1 1 318.337 0.722 20 0 DCADMM CC1(C)OC[C@H](CNC(=O)c2csc(-c3nn[n-]n3)c2)O1 ZINC001609147710 1170826772 /nfs/dbraw/zinc/82/67/72/1170826772.db2.gz JBAHXCACNQJWEX-QMMMGPOBSA-N -1 1 309.351 0.810 20 0 DCADMM C[C@@H]1CCCC[C@]1(C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001609164814 1170834432 /nfs/dbraw/zinc/83/44/32/1170834432.db2.gz XLYFNMUOCATOBK-RNCFNFMXSA-N -1 1 304.358 0.543 20 0 DCADMM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609169560 1170837397 /nfs/dbraw/zinc/83/73/97/1170837397.db2.gz IQOSYJFSXWJHPV-RDDDGLTNSA-N -1 1 318.312 0.260 20 0 DCADMM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609169560 1170837403 /nfs/dbraw/zinc/83/74/03/1170837403.db2.gz IQOSYJFSXWJHPV-RDDDGLTNSA-N -1 1 318.312 0.260 20 0 DCADMM CC[C@@H](C[C@@H](C)CO)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609188303 1170855511 /nfs/dbraw/zinc/85/55/11/1170855511.db2.gz IJWMEKYQQCTQPM-ZJUUUORDSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@@H](C[C@@H](C)CO)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609188303 1170855521 /nfs/dbraw/zinc/85/55/21/1170855521.db2.gz IJWMEKYQQCTQPM-ZJUUUORDSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001609202128 1170868233 /nfs/dbraw/zinc/86/82/33/1170868233.db2.gz ZVMBJYHFMKLDQP-UWVGGRQHSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001609202128 1170868241 /nfs/dbraw/zinc/86/82/41/1170868241.db2.gz ZVMBJYHFMKLDQP-UWVGGRQHSA-N -1 1 302.338 0.901 20 0 DCADMM CCCCNC(=O)[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609210178 1170869992 /nfs/dbraw/zinc/86/99/92/1170869992.db2.gz DWJZVGCJYPNEFE-SECBINFHSA-N -1 1 318.337 0.723 20 0 DCADMM CCCCNC(=O)[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609210178 1170869999 /nfs/dbraw/zinc/86/99/99/1170869999.db2.gz DWJZVGCJYPNEFE-SECBINFHSA-N -1 1 318.337 0.723 20 0 DCADMM CCCN1CCCN(Cc2nc(-c3nnn[n-]3)cs2)CC1=O ZINC001609214893 1170871482 /nfs/dbraw/zinc/87/14/82/1170871482.db2.gz IJFLOGBWQNRKLN-UHFFFAOYSA-N -1 1 321.410 0.768 20 0 DCADMM CCCN1CCCN(Cc2nc(-c3nn[n-]n3)cs2)CC1=O ZINC001609214893 1170871487 /nfs/dbraw/zinc/87/14/87/1170871487.db2.gz IJFLOGBWQNRKLN-UHFFFAOYSA-N -1 1 321.410 0.768 20 0 DCADMM CCCNC(=O)Cc1noc(-c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001609215568 1170874969 /nfs/dbraw/zinc/87/49/69/1170874969.db2.gz QLSKRCRDTMIEIG-UHFFFAOYSA-N -1 1 317.309 0.887 20 0 DCADMM CCCNC(=O)Cc1noc(-c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001609215568 1170874979 /nfs/dbraw/zinc/87/49/79/1170874979.db2.gz QLSKRCRDTMIEIG-UHFFFAOYSA-N -1 1 317.309 0.887 20 0 DCADMM CCOC(=O)C1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609230854 1170884892 /nfs/dbraw/zinc/88/48/92/1170884892.db2.gz GKNMRHZVWNGQKG-UHFFFAOYSA-N -1 1 302.294 0.544 20 0 DCADMM CCOC(=O)C1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001609230854 1170884903 /nfs/dbraw/zinc/88/49/03/1170884903.db2.gz GKNMRHZVWNGQKG-UHFFFAOYSA-N -1 1 302.294 0.544 20 0 DCADMM CCOCC(=O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001609239322 1170894809 /nfs/dbraw/zinc/89/48/09/1170894809.db2.gz FZDFUXGPGCUOAD-UHFFFAOYSA-N -1 1 317.349 0.513 20 0 DCADMM CN(C)c1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001609270566 1170905504 /nfs/dbraw/zinc/90/55/04/1170905504.db2.gz INTZUDUPSAPHJV-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CN(C)c1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001609270566 1170905508 /nfs/dbraw/zinc/90/55/08/1170905508.db2.gz INTZUDUPSAPHJV-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CNC(=O)[C@@H]1CCCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001609286733 1170913460 /nfs/dbraw/zinc/91/34/60/1170913460.db2.gz NTWXJEMHQYBENU-VIFPVBQESA-N -1 1 307.383 0.424 20 0 DCADMM CNC(=O)[C@@H]1CCCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001609286733 1170913465 /nfs/dbraw/zinc/91/34/65/1170913465.db2.gz NTWXJEMHQYBENU-VIFPVBQESA-N -1 1 307.383 0.424 20 0 DCADMM CNC(=O)c1ccc(CN(C)c2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609289173 1170916152 /nfs/dbraw/zinc/91/61/52/1170916152.db2.gz PDTGIMUXHZWYIX-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CNC(=O)c1ccc(CN(C)c2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609289173 1170916156 /nfs/dbraw/zinc/91/61/56/1170916156.db2.gz PDTGIMUXHZWYIX-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM COC(=O)c1cccc(OCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001609306035 1170925070 /nfs/dbraw/zinc/92/50/70/1170925070.db2.gz PBUJGXQPDWFLSE-UHFFFAOYSA-N -1 1 315.293 0.324 20 0 DCADMM COC[C@@H](C)S(=O)(=O)Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001609318218 1170932255 /nfs/dbraw/zinc/93/22/55/1170932255.db2.gz WLIVNDGIMUUYHM-ZCFIWIBFSA-N -1 1 317.302 0.144 20 0 DCADMM COC[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@H](C)O1 ZINC001609321148 1170933852 /nfs/dbraw/zinc/93/38/52/1170933852.db2.gz PUSLOYFABMCENJ-DTWKUNHWSA-N -1 1 310.383 0.559 20 0 DCADMM COC[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@H](C)O1 ZINC001609321148 1170933858 /nfs/dbraw/zinc/93/38/58/1170933858.db2.gz PUSLOYFABMCENJ-DTWKUNHWSA-N -1 1 310.383 0.559 20 0 DCADMM COCCO[C@@H]1COCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001609326601 1170939800 /nfs/dbraw/zinc/93/98/00/1170939800.db2.gz AASHVKIMOXHOLD-CMPLNLGQSA-N -1 1 320.353 0.494 20 0 DCADMM COCCO[C@@H]1COCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001609326601 1170939806 /nfs/dbraw/zinc/93/98/06/1170939806.db2.gz AASHVKIMOXHOLD-CMPLNLGQSA-N -1 1 320.353 0.494 20 0 DCADMM COCc1nc(COC(=O)c2cccc(-c3nnn[n-]3)n2)no1 ZINC001609331349 1170943149 /nfs/dbraw/zinc/94/31/49/1170943149.db2.gz DEAPAHXCOBETDF-UHFFFAOYSA-N -1 1 317.265 0.148 20 0 DCADMM COCc1nc(COC(=O)c2cccc(-c3nn[n-]n3)n2)no1 ZINC001609331349 1170943154 /nfs/dbraw/zinc/94/31/54/1170943154.db2.gz DEAPAHXCOBETDF-UHFFFAOYSA-N -1 1 317.265 0.148 20 0 DCADMM COc1ncncc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001609366182 1170949108 /nfs/dbraw/zinc/94/91/08/1170949108.db2.gz GFPLHIHILNECKP-UHFFFAOYSA-N -1 1 313.325 0.878 20 0 DCADMM COc1ncncc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001609366182 1170949115 /nfs/dbraw/zinc/94/91/15/1170949115.db2.gz GFPLHIHILNECKP-UHFFFAOYSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@H]1CC[C@H](C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001609376032 1170955083 /nfs/dbraw/zinc/95/50/83/1170955083.db2.gz JVPPNQBHRGQQMP-MGCOHNPYSA-N -1 1 304.358 0.401 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H](C)c2cnn(C)c2)nn1C ZINC001609378979 1170956878 /nfs/dbraw/zinc/95/68/78/1170956878.db2.gz MYKPVFZVYBOHFJ-SSDOTTSWSA-N -1 1 315.341 0.384 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H](C)c2cnn(C)c2)nn1C ZINC001609378979 1170956885 /nfs/dbraw/zinc/95/68/85/1170956885.db2.gz MYKPVFZVYBOHFJ-SSDOTTSWSA-N -1 1 315.341 0.384 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)CO ZINC001609378165 1170958070 /nfs/dbraw/zinc/95/80/70/1170958070.db2.gz NGJAATGWPUVEFO-SSDOTTSWSA-N -1 1 320.353 0.014 20 0 DCADMM Cc1cc(N2CCOC3(CCOCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001609405690 1170969969 /nfs/dbraw/zinc/96/99/69/1170969969.db2.gz UYDLQGBXHJTYTF-UHFFFAOYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1cc(N2CCOC3(CCOCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001609405690 1170969976 /nfs/dbraw/zinc/96/99/76/1170969976.db2.gz UYDLQGBXHJTYTF-UHFFFAOYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(N2CC[C@H](C(=O)N(C)C)C2)nc1-c1nnn[n-]1 ZINC001609425039 1170973559 /nfs/dbraw/zinc/97/35/59/1170973559.db2.gz VVOUCHSJHISXNN-JTQLQIEISA-N -1 1 301.354 0.485 20 0 DCADMM Cc1ccc(N2CC[C@H](C(=O)N(C)C)C2)nc1-c1nn[n-]n1 ZINC001609425039 1170973563 /nfs/dbraw/zinc/97/35/63/1170973563.db2.gz VVOUCHSJHISXNN-JTQLQIEISA-N -1 1 301.354 0.485 20 0 DCADMM Cc1ccc(N2CCO[C@@]3(CCO[C@H]3C)C2)nc1-c1nnn[n-]1 ZINC001609425344 1170974112 /nfs/dbraw/zinc/97/41/12/1170974112.db2.gz LCOXZZKSIJLHOP-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@@]3(CCO[C@H]3C)C2)nc1-c1nn[n-]n1 ZINC001609425344 1170974117 /nfs/dbraw/zinc/97/41/17/1170974117.db2.gz LCOXZZKSIJLHOP-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1nsc(NCC(C)(C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC001609466043 1170987645 /nfs/dbraw/zinc/98/76/45/1170987645.db2.gz ZXSYORNTWHLUHD-UHFFFAOYSA-N -1 1 316.412 0.867 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](CO)CC(F)(F)F ZINC001609467377 1170990451 /nfs/dbraw/zinc/99/04/51/1170990451.db2.gz CWOXBVBLXHDSRN-LURJTMIESA-N -1 1 319.243 0.811 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](CO)CC(F)(F)F ZINC001609467377 1170990456 /nfs/dbraw/zinc/99/04/56/1170990456.db2.gz CWOXBVBLXHDSRN-LURJTMIESA-N -1 1 319.243 0.811 20 0 DCADMM Cc1onc(CC(=O)N2CC(OC(F)F)C2)c1-c1nnn[n-]1 ZINC001609470747 1170990467 /nfs/dbraw/zinc/99/04/67/1170990467.db2.gz PYSABDHJPZHJRQ-UHFFFAOYSA-N -1 1 314.252 0.156 20 0 DCADMM Cc1onc(CC(=O)N2CC(OC(F)F)C2)c1-c1nn[n-]n1 ZINC001609470747 1170990472 /nfs/dbraw/zinc/99/04/72/1170990472.db2.gz PYSABDHJPZHJRQ-UHFFFAOYSA-N -1 1 314.252 0.156 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc([C@@H](C)NC(N)=O)no1 ZINC001609467219 1170990727 /nfs/dbraw/zinc/99/07/27/1170990727.db2.gz YNIJGMCXPMVVCT-SCSAIBSYSA-N -1 1 304.270 0.547 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc([C@@H](C)NC(N)=O)no1 ZINC001609467219 1170990734 /nfs/dbraw/zinc/99/07/34/1170990734.db2.gz YNIJGMCXPMVVCT-SCSAIBSYSA-N -1 1 304.270 0.547 20 0 DCADMM Cn1c(CNc2cncc(-c3nnn[n-]3)n2)nnc1C1CCC1 ZINC001609476347 1170991479 /nfs/dbraw/zinc/99/14/79/1170991479.db2.gz XRXJPLOXYAEUHA-UHFFFAOYSA-N -1 1 312.341 0.665 20 0 DCADMM Cn1c(CNc2cncc(-c3nn[n-]n3)n2)nnc1C1CCC1 ZINC001609476347 1170991484 /nfs/dbraw/zinc/99/14/84/1170991484.db2.gz XRXJPLOXYAEUHA-UHFFFAOYSA-N -1 1 312.341 0.665 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nnn[n-]2)n1)NC1CCCC1 ZINC001609530321 1171009166 /nfs/dbraw/zinc/00/91/66/1171009166.db2.gz USNULVQMSMJKOJ-UHFFFAOYSA-N -1 1 316.321 0.477 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nn[n-]n2)n1)NC1CCCC1 ZINC001609530321 1171009173 /nfs/dbraw/zinc/00/91/73/1171009173.db2.gz USNULVQMSMJKOJ-UHFFFAOYSA-N -1 1 316.321 0.477 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(C1CC1)C1CCCCC1 ZINC001609537231 1171012925 /nfs/dbraw/zinc/01/29/25/1171012925.db2.gz BAFVAGAETHOWFT-UHFFFAOYSA-N -1 1 316.369 0.782 20 0 DCADMM O=C(NC[C@@H](O)c1ccsc1)c1cccc(-c2nnn[n-]2)n1 ZINC001609544963 1171018038 /nfs/dbraw/zinc/01/80/38/1171018038.db2.gz ZHLWAGQENNCCQE-LLVKDONJSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@@H](O)c1ccsc1)c1cccc(-c2nn[n-]n2)n1 ZINC001609544963 1171018044 /nfs/dbraw/zinc/01/80/44/1171018044.db2.gz ZHLWAGQENNCCQE-LLVKDONJSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NCCCn1ccnn1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609548773 1171019169 /nfs/dbraw/zinc/01/91/69/1171019169.db2.gz VUIDKGFOAOAFCA-UHFFFAOYSA-N -1 1 316.300 0.417 20 0 DCADMM O=C(NCCCn1ccnn1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609548773 1171019174 /nfs/dbraw/zinc/01/91/74/1171019174.db2.gz VUIDKGFOAOAFCA-UHFFFAOYSA-N -1 1 316.300 0.417 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@H]1C[C@@H]1C1CCCC1 ZINC001609551375 1171019646 /nfs/dbraw/zinc/01/96/46/1171019646.db2.gz BRQOVUNHOLOSIQ-MNOVXSKESA-N -1 1 316.369 0.401 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2n(n1)CCO2 ZINC001609561192 1171020382 /nfs/dbraw/zinc/02/03/82/1171020382.db2.gz NGSSQOXZHAOCCF-UHFFFAOYSA-N -1 1 313.277 0.414 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC2(C1)CCOCC2 ZINC001609566941 1171024436 /nfs/dbraw/zinc/02/44/36/1171024436.db2.gz LTEBENVNZLLNCM-UHFFFAOYSA-N -1 1 315.337 0.906 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC2(C1)CCOCC2 ZINC001609566941 1171024441 /nfs/dbraw/zinc/02/44/41/1171024441.db2.gz LTEBENVNZLLNCM-UHFFFAOYSA-N -1 1 315.337 0.906 20 0 DCADMM O=c1cc(C=Cc2ccc(-c3nn[nH]n3)s2)nc2nc[n-]n21 ZINC001609604716 1171038707 /nfs/dbraw/zinc/03/87/07/1171038707.db2.gz IXPRYQNIEMOFJA-UPHRSURJSA-N -1 1 312.318 0.830 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1CC1CCC2(CC1)OCCO2 ZINC001609605003 1171039099 /nfs/dbraw/zinc/03/90/99/1171039099.db2.gz BNHKFQLCAQPGAM-UHFFFAOYSA-N -1 1 317.349 0.962 20 0 DCADMM C[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)N1CCN(C)CC1 ZINC001609744413 1171077519 /nfs/dbraw/zinc/07/75/19/1171077519.db2.gz ABSURVRGOKFQBI-NVPAJSRCSA-N -1 1 323.437 0.774 20 0 DCADMM C[C@@H](NC(=O)C(=O)Nc1sccc1C(=O)[O-])c1nnc[nH]1 ZINC001609763450 1171080407 /nfs/dbraw/zinc/08/04/07/1171080407.db2.gz 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ZINC001638182523 1171792498 /nfs/dbraw/zinc/79/24/98/1171792498.db2.gz UFVXOLUFHBMSPC-AAOUONPWSA-N -1 1 314.349 0.795 20 0 DCADMM O=C(Nc1ccc(F)cc1[O-])c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001638506367 1171799289 /nfs/dbraw/zinc/79/92/89/1171799289.db2.gz FCLRGOLUVYJJJX-QMMMGPOBSA-N -1 1 321.268 0.484 20 0 DCADMM CC(=CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1cnccn1 ZINC001639025464 1171818550 /nfs/dbraw/zinc/81/85/50/1171818550.db2.gz NWRXYGMWRRJXHE-OALRPVAKSA-N -1 1 317.378 0.710 20 0 DCADMM Cc1cc(C)c(CNC(=O)CCn2cc[n-]c(=O)c2=O)cn1 ZINC001639155437 1171824681 /nfs/dbraw/zinc/82/46/81/1171824681.db2.gz WIAAOYJAQVDTII-UHFFFAOYSA-N -1 1 302.334 0.255 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H]1c1ncccn1 ZINC001640899542 1171896599 /nfs/dbraw/zinc/89/65/99/1171896599.db2.gz BWTGGKVCGHKYQB-NSHDSACASA-N -1 1 315.333 0.080 20 0 DCADMM O=C([N-]n1ccc(=O)[nH]c1=O)c1c(O)cnc2c(F)cccc21 ZINC001642619285 1171953040 /nfs/dbraw/zinc/95/30/40/1171953040.db2.gz IHURZXLPPVLAOD-UHFFFAOYSA-N -1 1 316.248 0.726 20 0 DCADMM O=C(Nn1ccc(=O)[nH]c1=O)c1c([O-])cnc2c(F)cccc21 ZINC001642619285 1171953045 /nfs/dbraw/zinc/95/30/45/1171953045.db2.gz IHURZXLPPVLAOD-UHFFFAOYSA-N -1 1 316.248 0.726 20 0 DCADMM O=C(c1ccnc(-n2ccnc2)c1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001644299297 1172002109 /nfs/dbraw/zinc/00/21/09/1172002109.db2.gz LXBYKIKCLYLFOL-LLVKDONJSA-N -1 1 310.321 0.410 20 0 DCADMM COC[C@H](NC(=O)CCn1cnc2ccccc21)c1nn[n-]n1 ZINC001644689496 1172014183 /nfs/dbraw/zinc/01/41/83/1172014183.db2.gz VATANLTYJNZINF-NSHDSACASA-N -1 1 315.337 0.443 20 0 DCADMM COC[C@H](NC(=O)Cc1cccc2nsnc21)c1nn[n-]n1 ZINC001645319688 1172036494 /nfs/dbraw/zinc/03/64/94/1172036494.db2.gz JQLNCGDACVVYFI-VIFPVBQESA-N -1 1 319.350 0.251 20 0 DCADMM O=C(c1noc2c1CCCC2)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001645761807 1172129611 /nfs/dbraw/zinc/12/96/11/1172129611.db2.gz GDQIHNBHAMOOGN-UHFFFAOYSA-N -1 1 318.337 0.190 20 0 DCADMM O=C(CCCc1nn[n-]n1)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC001646091230 1172248872 /nfs/dbraw/zinc/24/88/72/1172248872.db2.gz BCGWWGKAVAWHDC-GXFFZTMASA-N -1 1 311.411 0.693 20 0 DCADMM C[C@@H](CC(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1ccncc1 ZINC001646243879 1172300422 /nfs/dbraw/zinc/30/04/22/1172300422.db2.gz COHOZDOBFDSDIY-NSHDSACASA-N -1 1 316.365 0.599 20 0 DCADMM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCCN1CCCOCC1 ZINC001646292308 1172324688 /nfs/dbraw/zinc/32/46/88/1172324688.db2.gz SBZQLDPJPPVBAO-DOMZBBRYSA-N -1 1 311.382 0.357 20 0 DCADMM Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@H](OC2CCC2)C1 ZINC001646666229 1172459880 /nfs/dbraw/zinc/45/98/80/1172459880.db2.gz PTZIWTAGPCMUQM-JTQLQIEISA-N -1 1 304.358 0.533 20 0 DCADMM Cn1c(-c2nn[n-]n2)nnc1N1CCC[C@H](OC2CCC2)C1 ZINC001646666229 1172459885 /nfs/dbraw/zinc/45/98/85/1172459885.db2.gz PTZIWTAGPCMUQM-JTQLQIEISA-N -1 1 304.358 0.533 20 0 DCADMM CC[C@H](CNC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)C(=O)[O-] ZINC001646722225 1172491553 /nfs/dbraw/zinc/49/15/53/1172491553.db2.gz RSQLVQXHIXIPEC-UPJWGTAASA-N -1 1 313.398 0.338 20 0 DCADMM COCCn1c(Cc2nnn[n-]2)nnc1N1CCC(C)(F)CC1 ZINC001646821581 1172550656 /nfs/dbraw/zinc/55/06/56/1172550656.db2.gz UOTAQFNLCQFMDG-UHFFFAOYSA-N -1 1 324.364 0.357 20 0 DCADMM COCCn1c(Cc2nn[n-]n2)nnc1N1CCC(C)(F)CC1 ZINC001646821581 1172550661 /nfs/dbraw/zinc/55/06/61/1172550661.db2.gz UOTAQFNLCQFMDG-UHFFFAOYSA-N -1 1 324.364 0.357 20 0 DCADMM CCOC[C@@H]1CCN(c2nnc(-c3nnn[n-]3)n2CC(C)C)C1 ZINC001646858007 1172564848 /nfs/dbraw/zinc/56/48/48/1172564848.db2.gz HNAFVLBQPWUEQZ-LLVKDONJSA-N -1 1 320.401 0.977 20 0 DCADMM CCOC[C@@H]1CCN(c2nnc(-c3nn[n-]n3)n2CC(C)C)C1 ZINC001646858007 1172564853 /nfs/dbraw/zinc/56/48/53/1172564853.db2.gz HNAFVLBQPWUEQZ-LLVKDONJSA-N -1 1 320.401 0.977 20 0 DCADMM C(c1nnn[n-]1)c1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 ZINC001646859726 1172565032 /nfs/dbraw/zinc/56/50/32/1172565032.db2.gz MZQQVQIOVDIXMD-NSHDSACASA-N -1 1 318.385 0.551 20 0 DCADMM C(c1nn[n-]n1)c1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 ZINC001646859726 1172565034 /nfs/dbraw/zinc/56/50/34/1172565034.db2.gz MZQQVQIOVDIXMD-NSHDSACASA-N -1 1 318.385 0.551 20 0 DCADMM CC(C)CN1C[C@@H](C(=O)N2CC[C@@H](c3nn[n-]n3)C2)CC1=O ZINC001646983318 1172620571 /nfs/dbraw/zinc/62/05/71/1172620571.db2.gz FOEFWQMZRYVYNI-MNOVXSKESA-N -1 1 306.370 0.020 20 0 DCADMM COCc1ccc(C(=O)[N-]c2nc(CS(C)(=O)=O)no2)o1 ZINC001647090301 1172668465 /nfs/dbraw/zinc/66/84/65/1172668465.db2.gz XUTFBNIVFCJWPX-UHFFFAOYSA-N -1 1 315.307 0.606 20 0 DCADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001647176835 1172721663 /nfs/dbraw/zinc/72/16/63/1172721663.db2.gz RPSCCTWOPZUDOU-MNOVXSKESA-N -1 1 309.366 0.429 20 0 DCADMM Cn1ncc(CCC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)n1 ZINC001647234519 1172754459 /nfs/dbraw/zinc/75/44/59/1172754459.db2.gz SPHHOIJFGLCQBM-VIFPVBQESA-N -1 1 306.326 0.243 20 0 DCADMM CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(CC(=O)[O-])cc3)C[C@@H]21 ZINC001647251030 1172765438 /nfs/dbraw/zinc/76/54/38/1172765438.db2.gz KSSTYSXLPCMHHB-OCCSQVGLSA-N -1 1 324.402 0.638 20 0 DCADMM Cc1cn2c(n1)C[C@@H](C(=O)N(C)C[C@@H](C)c1nn[n-]n1)CC2 ZINC001647319910 1172809548 /nfs/dbraw/zinc/80/95/48/1172809548.db2.gz UEXNFEALJXGIDM-KOLCDFICSA-N -1 1 303.370 0.529 20 0 DCADMM O=C([O-])[C@]12CN(Cc3nc(CC4CC4)no3)C[C@H]1COCC2 ZINC001647341862 1172825695 /nfs/dbraw/zinc/82/56/95/1172825695.db2.gz SYFFILOAXMFFGW-XHDPSFHLSA-N -1 1 307.350 0.945 20 0 DCADMM CS[C@H]1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001647358106 1172837056 /nfs/dbraw/zinc/83/70/56/1172837056.db2.gz WDGHLMSLKCDKKK-VIFPVBQESA-N -1 1 324.406 0.902 20 0 DCADMM CS[C@@H]1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001647358105 1172837250 /nfs/dbraw/zinc/83/72/50/1172837250.db2.gz WDGHLMSLKCDKKK-SECBINFHSA-N -1 1 324.406 0.902 20 0 DCADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccccc2CO)C1 ZINC001647424370 1172882414 /nfs/dbraw/zinc/88/24/14/1172882414.db2.gz GZDFPCDVTKBTCP-ZDUSSCGKSA-N -1 1 306.362 0.592 20 0 DCADMM COc1cc2[n-]cc(C(=O)N3CC[C@H]3CO)c(=O)c2c(OC)c1 ZINC001647465186 1172911970 /nfs/dbraw/zinc/91/19/70/1172911970.db2.gz OATISZVHAAUXLW-VIFPVBQESA-N -1 1 318.329 0.752 20 0 DCADMM COc1cnc([C@H]2CCCN2C(=O)Cn2cccn2)[n-]c1=O ZINC001647466880 1172913120 /nfs/dbraw/zinc/91/31/20/1172913120.db2.gz XODVWCQSCGXNPF-SNVBAGLBSA-N -1 1 303.322 0.751 20 0 DCADMM Cn1c(-c2noc(=O)[n-]2)nnc1N1C[C@@H]2CSC[C@]2(C)C1 ZINC001647691526 1173036228 /nfs/dbraw/zinc/03/62/28/1173036228.db2.gz CCMSLCCDUUHEOZ-KRTXAFLBSA-N -1 1 308.367 0.348 20 0 DCADMM CCn1c(Cc2nnn[n-]2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001647700431 1173041349 /nfs/dbraw/zinc/04/13/49/1173041349.db2.gz LMXZNELZNPCNRC-UHFFFAOYSA-N -1 1 320.401 0.796 20 0 DCADMM CCn1c(Cc2nn[n-]n2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001647700431 1173041358 /nfs/dbraw/zinc/04/13/58/1173041358.db2.gz LMXZNELZNPCNRC-UHFFFAOYSA-N -1 1 320.401 0.796 20 0 DCADMM COc1ncccc1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001649339932 1173115940 /nfs/dbraw/zinc/11/59/40/1173115940.db2.gz SQOOLMHBNBDREZ-SNVBAGLBSA-N -1 1 302.338 0.698 20 0 DCADMM CS(=O)(=O)c1nc(NC(=O)c2ccnc(C3CC3)n2)n[n-]1 ZINC001649700817 1173172215 /nfs/dbraw/zinc/17/22/15/1173172215.db2.gz RTWPLYHCOLEDDK-UHFFFAOYSA-N -1 1 308.323 0.128 20 0 DCADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccnc(C3CC3)n2)n1 ZINC001649700817 1173172218 /nfs/dbraw/zinc/17/22/18/1173172218.db2.gz RTWPLYHCOLEDDK-UHFFFAOYSA-N -1 1 308.323 0.128 20 0 DCADMM C[C@H](CN(C)C(=O)Cc1nc(C2CC2)nn1C)c1nn[n-]n1 ZINC001649851808 1173260569 /nfs/dbraw/zinc/26/05/69/1173260569.db2.gz BNGNUMPIMHHLMK-MRVPVSSYSA-N -1 1 304.358 0.010 20 0 DCADMM O=C([C@@H]1CCc2nncn2C1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001649895913 1173290011 /nfs/dbraw/zinc/29/00/11/1173290011.db2.gz KZVURZDQFXWFNJ-SNVBAGLBSA-N -1 1 318.337 0.335 20 0 DCADMM O=C(c1cn2c(n1)COCC2)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001649930371 1173316662 /nfs/dbraw/zinc/31/66/62/1173316662.db2.gz CRYRAOPKSRHSOA-VIFPVBQESA-N -1 1 319.321 0.522 20 0 DCADMM C[C@H](CN(C)C(=O)c1cccn(C2CC2)c1=O)c1nn[n-]n1 ZINC001649936677 1173321241 /nfs/dbraw/zinc/32/12/41/1173321241.db2.gz KKQTWLHWDXCITJ-SECBINFHSA-N -1 1 302.338 0.572 20 0 DCADMM CN(CCN1CCCC1=O)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001650010185 1173372827 /nfs/dbraw/zinc/37/28/27/1173372827.db2.gz OTQSRZWQVDUVSN-UHFFFAOYSA-N -1 1 304.350 0.754 20 0 DCADMM C[C@H]1c2nncn2CCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001650022245 1173383344 /nfs/dbraw/zinc/38/33/44/1173383344.db2.gz XPAGLUDXJRYFQK-QMMMGPOBSA-N -1 1 300.322 0.868 20 0 DCADMM CC[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)CN2C)C[C@@]1(F)C(=O)[O-] ZINC001650025274 1173386293 /nfs/dbraw/zinc/38/62/93/1173386293.db2.gz DKMWKBLVDXCGJX-MHWZDGSBSA-N -1 1 302.346 0.103 20 0 DCADMM CC[C@H]1CCN(c2nnc(-c3nnn[n-]3)n2C[C@@H]2CCOC2)C1 ZINC001650484547 1173655732 /nfs/dbraw/zinc/65/57/32/1173655732.db2.gz ANNTWSRWEIUOBY-QWRGUYRKSA-N -1 1 318.385 0.731 20 0 DCADMM CC[C@H]1CCN(c2nnc(-c3nn[n-]n3)n2C[C@@H]2CCOC2)C1 ZINC001650484547 1173655735 /nfs/dbraw/zinc/65/57/35/1173655735.db2.gz ANNTWSRWEIUOBY-QWRGUYRKSA-N -1 1 318.385 0.731 20 0 DCADMM COC1(C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)CCOCC1 ZINC001650586701 1173708908 /nfs/dbraw/zinc/70/89/08/1173708908.db2.gz IZTCVKPBLICELJ-LLVKDONJSA-N -1 1 309.370 0.176 20 0 DCADMM Cn1cnc2cncc(C(=O)N3CCC(c4nn[n-]n4)CC3)c21 ZINC001650644559 1173730018 /nfs/dbraw/zinc/73/00/18/1173730018.db2.gz DSNIOVVHBMWKHE-UHFFFAOYSA-N -1 1 312.337 0.501 20 0 DCADMM COc1cnc(F)c(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC001650755011 1173733049 /nfs/dbraw/zinc/73/30/49/1173733049.db2.gz SOGAVHPQMBHBPF-UHFFFAOYSA-N -1 1 315.286 0.003 20 0 DCADMM COc1cnc(F)c(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC001650755011 1173733054 /nfs/dbraw/zinc/73/30/54/1173733054.db2.gz SOGAVHPQMBHBPF-UHFFFAOYSA-N -1 1 315.286 0.003 20 0 DCADMM Cn1nc(-c2cccnc2)cc1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650857556 1173734401 /nfs/dbraw/zinc/73/44/01/1173734401.db2.gz DFQGRGJTWRUXSD-LLVKDONJSA-N -1 1 324.348 0.625 20 0 DCADMM Cc1ccn2ncc(C(=O)N(Cc3nn[n-]n3)CC(C)C)c2n1 ZINC001651180662 1173741159 /nfs/dbraw/zinc/74/11/59/1173741159.db2.gz JOJJEMSQUDCVHS-UHFFFAOYSA-N -1 1 314.353 0.849 20 0 DCADMM O=C(NN1CC(=O)[N-]C1=O)C(=O)c1c[nH]c2cc(F)ccc12 ZINC001654198113 1173801371 /nfs/dbraw/zinc/80/13/71/1173801371.db2.gz NSDBRHAWHBSGHQ-UHFFFAOYSA-N -1 1 304.237 0.073 20 0 DCADMM COC(=O)/C=C/[C@H](C)[N-]S(=O)(=O)c1csnc1OC ZINC001657443292 1173912357 /nfs/dbraw/zinc/91/23/57/1173912357.db2.gz LJVZYOHKJVMXIW-KPJROHGDSA-N -1 1 306.365 0.548 20 0 DCADMM CCN(CCCNC(=O)[C@@H](F)C(C)C)Cc1n[nH]c(=O)[n-]1 ZINC001660576886 1174014407 /nfs/dbraw/zinc/01/44/07/1174014407.db2.gz QGBZATZJBOLMGP-NSHDSACASA-N -1 1 301.366 0.833 20 0 DCADMM COC(=O)c1cc(NC(=O)NN2CC(=O)[N-]C2=O)c(C)s1 ZINC001662514148 1174215587 /nfs/dbraw/zinc/21/55/87/1174215587.db2.gz TVQVUXPCVGPQMG-UHFFFAOYSA-N -1 1 312.307 0.431 20 0 DCADMM NC(=O)c1coc(C[N-]S(=O)(=O)c2cc3ccccc3o2)n1 ZINC001663063777 1174262707 /nfs/dbraw/zinc/26/27/07/1174262707.db2.gz GWCAOSHXWLPUOG-UHFFFAOYSA-N -1 1 321.314 0.998 20 0 DCADMM Cc1ccc(F)cc1C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1 ZINC001664101441 1174395995 /nfs/dbraw/zinc/39/59/95/1174395995.db2.gz LUIQPNOVRCIGMO-UHFFFAOYSA-N -1 1 307.329 0.820 20 0 DCADMM CCCCC[C@H]([N-]S(=O)(=O)Cc1noc(C)n1)C(=O)OC ZINC001667830209 1174720790 /nfs/dbraw/zinc/72/07/90/1174720790.db2.gz FVIOXKIAYTYIEO-JTQLQIEISA-N -1 1 319.383 0.919 20 0 DCADMM COC(=O)/C=C/[C@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC001672228631 1175089852 /nfs/dbraw/zinc/08/98/52/1175089852.db2.gz BXJBGTGWNSSWEI-KPJROHGDSA-N -1 1 307.759 0.470 20 0 DCADMM C[C@@H](CCCNC(=O)c1cnon1)NC(=O)c1ncccc1[O-] ZINC001679276907 1175716256 /nfs/dbraw/zinc/71/62/56/1175716256.db2.gz XQQLOUWSKYRDIJ-VIFPVBQESA-N -1 1 319.321 0.499 20 0 DCADMM CCOCCC(=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001684084654 1175982425 /nfs/dbraw/zinc/98/24/25/1175982425.db2.gz TWLQPZROHXWGMD-LBPRGKRZSA-N -1 1 321.377 0.887 20 0 DCADMM Cc1cc(C(=O)NCCNC(=O)c2ncccc2[O-])ncn1 ZINC001686537676 1176144420 /nfs/dbraw/zinc/14/44/20/1176144420.db2.gz REYDCPPASGJSEC-UHFFFAOYSA-N -1 1 301.306 0.045 20 0 DCADMM Cn1cccc1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001686890152 1176242040 /nfs/dbraw/zinc/24/20/40/1176242040.db2.gz BRUIYLPOVFPRQE-UHFFFAOYSA-N -1 1 302.334 0.676 20 0 DCADMM O=C(Cc1ccon1)NCCCNC(=O)c1ncccc1[O-] ZINC001686939645 1176252240 /nfs/dbraw/zinc/25/22/40/1176252240.db2.gz UISKZJFBYKVYQU-UHFFFAOYSA-N -1 1 304.306 0.254 20 0 DCADMM Cc1cnoc1C(=O)NC/C=C\CNC(=O)c1ncccc1[O-] ZINC001689305538 1176811853 /nfs/dbraw/zinc/81/18/53/1176811853.db2.gz UQCJTKDNQRCAOQ-IHWYPQMZSA-N -1 1 316.317 0.800 20 0 DCADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CCn1ccnn1 ZINC000136333653 1177533987 /nfs/dbraw/zinc/53/39/87/1177533987.db2.gz CZPUGOILUGXETB-UHFFFAOYSA-N -1 1 307.788 0.675 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H](C)C(F)(F)F ZINC001699196151 1177932002 /nfs/dbraw/zinc/93/20/02/1177932002.db2.gz IMWWVNMSXIPHNG-SSDOTTSWSA-N -1 1 309.292 0.647 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1c[nH]nc1C1CC1 ZINC001699212529 1177944724 /nfs/dbraw/zinc/94/47/24/1177944724.db2.gz NMMGEZNMCOZXCH-UHFFFAOYSA-N -1 1 319.369 0.363 20 0 DCADMM C[C@H](C(=O)N1CC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001700055143 1178462484 /nfs/dbraw/zinc/46/24/84/1178462484.db2.gz UTPABAXHKGQGKO-QWRGUYRKSA-N -1 1 307.398 0.885 20 0 DCADMM Cc1nc(C(=O)N2CC[C@@H](CCNCc3n[nH]c(=O)[n-]3)C2)co1 ZINC001700057626 1178464126 /nfs/dbraw/zinc/46/41/26/1178464126.db2.gz CYCICPDLGIAXMG-SNVBAGLBSA-N -1 1 320.353 0.449 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)C=Cc1ccc[nH]1 ZINC001700390244 1178606279 /nfs/dbraw/zinc/60/62/79/1178606279.db2.gz ACMBYAXPLZWHMV-QEJZFVATSA-N -1 1 304.354 0.535 20 0 DCADMM C[C@@]1(C(=O)NC[C@@H](CO)NC(=O)c2ncccc2[O-])C=CCC1 ZINC001701712395 1179134816 /nfs/dbraw/zinc/13/48/16/1179134816.db2.gz WZZUKTGMUXUAKG-MEDUHNTESA-N -1 1 319.361 0.350 20 0 DCADMM C[C@@H](C(=O)NCCNC(=O)c1ncccc1[O-])C1CCOCC1 ZINC001703156630 1179349883 /nfs/dbraw/zinc/34/98/83/1179349883.db2.gz LTWZTZDHRTZPBG-LLVKDONJSA-N -1 1 321.377 0.696 20 0 DCADMM COCCCC(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001703488587 1179561632 /nfs/dbraw/zinc/56/16/32/1179561632.db2.gz ACSJFKVNWLGWBQ-UHFFFAOYSA-N -1 1 321.377 0.935 20 0 DCADMM CCC(=CC(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-])CC ZINC001704934854 1180178543 /nfs/dbraw/zinc/17/85/43/1180178543.db2.gz RVBBCRKINLPLOV-LBPRGKRZSA-N -1 1 321.377 0.741 20 0 DCADMM CCN(CCCNC(=O)Cc1cncs1)Cc1n[nH]c(=O)[n-]1 ZINC001713015067 1180624669 /nfs/dbraw/zinc/62/46/69/1180624669.db2.gz FWZVZECBMHXQDG-UHFFFAOYSA-N -1 1 324.410 0.538 20 0 DCADMM Cc1nc(C(C)C)oc1C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1 ZINC001713642534 1180988082 /nfs/dbraw/zinc/98/80/82/1180988082.db2.gz LACIZNNGQMRFBD-UHFFFAOYSA-N -1 1 322.369 0.792 20 0 DCADMM CC(C)(C)C(=O)C(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001713862381 1181118857 /nfs/dbraw/zinc/11/88/57/1181118857.db2.gz URFNWRHICJMAOJ-SECBINFHSA-N -1 1 309.370 0.110 20 0 DCADMM CCN(CCNCc1cnsn1)C(=O)c1ncccc1[O-] ZINC001715728370 1181961582 /nfs/dbraw/zinc/96/15/82/1181961582.db2.gz AAWCBIOYNLHZFU-UHFFFAOYSA-N -1 1 307.379 0.891 20 0 DCADMM CN(CCCNC(=O)c1ncccc1[O-])C(=O)C1=CCOCC1 ZINC001720470661 1183617561 /nfs/dbraw/zinc/61/75/61/1183617561.db2.gz XCGFIZPNWUXEBI-UHFFFAOYSA-N -1 1 319.361 0.712 20 0 DCADMM CS[C@@H](C)C(=O)NC/C=C/CNC(=O)c1ncccc1[O-] ZINC001721801945 1184047842 /nfs/dbraw/zinc/04/78/42/1184047842.db2.gz VUZOVBOAZLNCPE-FSIBCCDJSA-N -1 1 309.391 0.941 20 0 DCADMM C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CCOCC1CC1 ZINC001725563970 1184886478 /nfs/dbraw/zinc/88/64/78/1184886478.db2.gz ZQCPWQAVYQPUOF-CMPLNLGQSA-N -1 1 323.397 0.406 20 0 DCADMM CCN(CCCNC(=O)c1[nH]nc(C)c1[O-])CC(=O)NC1CC1 ZINC001731303885 1185252680 /nfs/dbraw/zinc/25/26/80/1185252680.db2.gz VZFUGQIEWFOCAE-UHFFFAOYSA-N -1 1 323.397 0.144 20 0 DCADMM CN(CCNCc1nnc(C2CC2)o1)C(=O)c1ncccc1[O-] ZINC001731906839 1185564309 /nfs/dbraw/zinc/56/43/09/1185564309.db2.gz AZRIQPKZMKQUKL-UHFFFAOYSA-N -1 1 317.349 0.909 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1ccc2[nH]ccc2c1 ZINC001731947731 1185599541 /nfs/dbraw/zinc/59/95/41/1185599541.db2.gz BONOKHURUKTPRL-UHFFFAOYSA-N -1 1 314.349 0.853 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H](C)CCNCc2nonc2C)c1[O-] ZINC001732683003 1185917677 /nfs/dbraw/zinc/91/76/77/1185917677.db2.gz 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ZINC001736917844 1187178680 /nfs/dbraw/zinc/17/86/80/1187178680.db2.gz WKENEXGBHICEOS-UHFFFAOYSA-N -1 1 317.349 0.554 20 0 DCADMM CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001737447527 1187337119 /nfs/dbraw/zinc/33/71/19/1187337119.db2.gz QUYMJYPFWKMJFQ-MGCOHNPYSA-N -1 1 319.361 0.779 20 0 DCADMM CC(C)=CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001739597253 1187814397 /nfs/dbraw/zinc/81/43/97/1187814397.db2.gz IYCBPWDKSGCBOR-PWSUYJOCSA-N -1 1 305.334 0.055 20 0 DCADMM CCn1cc(C(=O)NCCNC(=O)c2ncccc2[O-])cn1 ZINC001740507531 1187939165 /nfs/dbraw/zinc/93/91/65/1187939165.db2.gz RJSFLZVNSONKOH-UHFFFAOYSA-N -1 1 303.322 0.163 20 0 DCADMM CCOCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001744102191 1188183017 /nfs/dbraw/zinc/18/30/17/1188183017.db2.gz YYRRGNYJFDZUEM-NSHDSACASA-N -1 1 307.350 0.545 20 0 DCADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](C)C(=O)OC)C1CC1 ZINC001771620085 1188358589 /nfs/dbraw/zinc/35/85/89/1188358589.db2.gz QBTGRQNVTAQBQX-WPRPVWTQSA-N -1 1 307.368 0.057 20 0 DCADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCN(C(N)=O)C1 ZINC001771625440 1188362326 /nfs/dbraw/zinc/36/23/26/1188362326.db2.gz PLOIBZLPSFQGTM-SECBINFHSA-N -1 1 307.354 0.497 20 0 DCADMM O=C(N[C@H](CO)CNC(=O)[C@@H]1CC=CCC1)c1ncccc1[O-] ZINC001756506524 1189362948 /nfs/dbraw/zinc/36/29/48/1189362948.db2.gz QFRJPWFDXOLDDR-NEPJUHHUSA-N -1 1 319.361 0.350 20 0 DCADMM Cc1nc(C)c(C(=O)NCCCNC(=O)c2ncccc2[O-])[nH]1 ZINC001758159914 1189760692 /nfs/dbraw/zinc/76/06/92/1189760692.db2.gz SLCXJYCDNFOPAE-UHFFFAOYSA-N -1 1 317.349 0.677 20 0 DCADMM CO[C@H]1CC[C@H](C(=O)NCCCNC(=O)c2ncccc2[O-])C1 ZINC001758160404 1189761090 /nfs/dbraw/zinc/76/10/90/1189761090.db2.gz ZRICTOKIOZITHA-RYUDHWBXSA-N -1 1 321.377 0.838 20 0 DCADMM CCOCCCC(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001759830024 1190310649 /nfs/dbraw/zinc/31/06/49/1190310649.db2.gz POGHPYCJFJBHST-LBPRGKRZSA-N -1 1 321.377 0.935 20 0 DCADMM COCCCC(=O)N[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001760008359 1190359810 /nfs/dbraw/zinc/35/98/10/1190359810.db2.gz XVAPMNZMQHICLX-INIZCTEOSA-N -1 1 321.377 0.935 20 0 DCADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)NCCN(C)C ZINC001771652941 1190408414 /nfs/dbraw/zinc/40/84/14/1190408414.db2.gz CONLXUXAWXIJCD-UHFFFAOYSA-N -1 1 316.379 0.162 20 0 DCADMM CCc1nsc(N2CCN(C(=O)c3cnncc3[O-])CC2)n1 ZINC001772081884 1190424476 /nfs/dbraw/zinc/42/44/76/1190424476.db2.gz QXRZALLGSKJHFV-UHFFFAOYSA-N -1 1 320.378 0.559 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)c3ccc(S(C)(=O)=O)o3)ccnc1-2 ZINC001771691956 1190469954 /nfs/dbraw/zinc/46/99/54/1190469954.db2.gz QEDAVULRHLETKR-UHFFFAOYSA-N -1 1 320.330 0.591 20 0 DCADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1OC)C(=O)NC ZINC001771723753 1190478999 /nfs/dbraw/zinc/47/89/99/1190478999.db2.gz BQDPDJIMWZPBQM-SECBINFHSA-N -1 1 322.333 0.776 20 0 DCADMM CN(C(=O)[C@H]1CSCN1C(=O)C1CCCC1)c1nn[n-]n1 ZINC001771895920 1190544827 /nfs/dbraw/zinc/54/48/27/1190544827.db2.gz HYJFDSWWCJDITF-SECBINFHSA-N -1 1 310.383 0.254 20 0 DCADMM Cn1cc(CCCN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001771907488 1190550040 /nfs/dbraw/zinc/55/00/40/1190550040.db2.gz VXOAKPGVORMTNL-INIZCTEOSA-N -1 1 322.409 0.214 20 0 DCADMM CN(C)c1ncc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cn1 ZINC001771907372 1190550371 /nfs/dbraw/zinc/55/03/71/1190550371.db2.gz JRVRPWSUYJKYKR-ZDUSSCGKSA-N -1 1 308.382 0.998 20 0 DCADMM CN(C)c1ncc(CN(CCC(=O)[O-])C[C@@H]2CCCO2)cn1 ZINC001771907372 1190550373 /nfs/dbraw/zinc/55/03/73/1190550373.db2.gz JRVRPWSUYJKYKR-ZDUSSCGKSA-N -1 1 308.382 0.998 20 0 DCADMM Cn1nccc1CCC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001771914547 1190552567 /nfs/dbraw/zinc/55/25/67/1190552567.db2.gz HYBMCRPFDHJYMU-SNVBAGLBSA-N -1 1 307.383 0.183 20 0 DCADMM Cn1c(-c2noc(=O)[n-]2)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001772179643 1190623653 /nfs/dbraw/zinc/62/36/53/1190623653.db2.gz VJDZXCXHVDJZNK-CYBMUJFWSA-N -1 1 322.394 0.882 20 0 DCADMM CN(c1nnc(Cc2nnn[n-]2)n1C[C@H]1CCOC1)C1CCC1 ZINC001772368544 1190669636 /nfs/dbraw/zinc/66/96/36/1190669636.db2.gz SBXYOZOISDYBLA-SNVBAGLBSA-N -1 1 318.385 0.407 20 0 DCADMM CN(c1nnc(Cc2nn[n-]n2)n1C[C@H]1CCOC1)C1CCC1 ZINC001772368544 1190669639 /nfs/dbraw/zinc/66/96/39/1190669639.db2.gz SBXYOZOISDYBLA-SNVBAGLBSA-N -1 1 318.385 0.407 20 0 DCADMM C(C1CC1)n1c(-c2nnn[n-]2)nnc1N1CCC2(COC2)C1 ZINC001772421522 1190678255 /nfs/dbraw/zinc/67/82/55/1190678255.db2.gz QPZNGSCJEMRABN-UHFFFAOYSA-N -1 1 302.342 0.095 20 0 DCADMM C(C1CC1)n1c(-c2nn[n-]n2)nnc1N1CCC2(COC2)C1 ZINC001772421522 1190678257 /nfs/dbraw/zinc/67/82/57/1190678257.db2.gz QPZNGSCJEMRABN-UHFFFAOYSA-N -1 1 302.342 0.095 20 0 DCADMM O=C(c1cnn2c1CCCC2)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001772463979 1190691760 /nfs/dbraw/zinc/69/17/60/1190691760.db2.gz NNQFFZIBTOUUIK-LLVKDONJSA-N -1 1 315.381 0.827 20 0 DCADMM COc1ccnc(NC/C=C\CNC(=O)c2ncccc2[O-])n1 ZINC001107138893 751891584 /nfs/dbraw/zinc/89/15/84/751891584.db2.gz CPIIGIJUDREURC-IHWYPQMZSA-N -1 1 315.333 0.984 20 0 DCADMM CN(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001043161619 752108868 /nfs/dbraw/zinc/10/88/68/752108868.db2.gz VGLWFQGCAQRPDG-TUAOUCFPSA-N -1 1 319.409 0.187 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])c1cnc(F)cn1 ZINC001100515155 747260319 /nfs/dbraw/zinc/26/03/19/747260319.db2.gz CZQDBPCPFPYTNK-UHFFFAOYSA-N -1 1 305.313 0.973 20 0 DCADMM CC1(C(=O)NCC[N-]C(=O)C(F)(F)Br)COC1 ZINC001143395339 747269121 /nfs/dbraw/zinc/26/91/21/747269121.db2.gz UTDKTYCXLCMVBI-UHFFFAOYSA-N -1 1 315.114 0.243 20 0 DCADMM C[C@H]1CCCN1C(=O)c1[nH]nc2c1CN(C(=O)C(=O)[O-])CC2 ZINC001143420293 747327716 /nfs/dbraw/zinc/32/77/16/747327716.db2.gz UFOZDFPTNBNFKX-QMMMGPOBSA-N -1 1 306.322 0.004 20 0 DCADMM COCCC(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001058963467 747779896 /nfs/dbraw/zinc/77/98/96/747779896.db2.gz YIVPBMJAWUTOPT-LBPRGKRZSA-N -1 1 321.377 0.792 20 0 DCADMM O=S(=O)(N[C@H](Cc1nnc[nH]1)c1ccccc1)c1ncc[nH]1 ZINC001211691955 748321002 /nfs/dbraw/zinc/32/10/02/748321002.db2.gz UQMLLDJKAWWJHD-LLVKDONJSA-N -1 1 318.362 0.790 20 0 DCADMM CN(CCN(C)c1cc(F)ncn1)C(=O)c1ncccc1[O-] ZINC001105376224 748694187 /nfs/dbraw/zinc/69/41/87/748694187.db2.gz LEHYRSMQLTYEAL-UHFFFAOYSA-N -1 1 305.313 0.925 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)c2ccoc2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087502293 748870340 /nfs/dbraw/zinc/87/03/40/748870340.db2.gz ZYEWAPIFABOOQB-NWDGAFQWSA-N -1 1 319.365 0.484 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1cnon1 ZINC001087552388 748967543 /nfs/dbraw/zinc/96/75/43/748967543.db2.gz BREWGDBGMFBLAD-NWDGAFQWSA-N -1 1 317.349 0.953 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)c2cc[nH]c2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087582434 748987530 /nfs/dbraw/zinc/98/75/30/748987530.db2.gz KELQDCGBEFQRHF-NWDGAFQWSA-N -1 1 318.381 0.219 20 0 DCADMM CC(C)CNC(=O)CN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001112782469 761918017 /nfs/dbraw/zinc/91/80/17/761918017.db2.gz VLVMQCLCDRNVQU-UHFFFAOYSA-N -1 1 320.393 0.317 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN2C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001088666624 749838087 /nfs/dbraw/zinc/83/80/87/749838087.db2.gz MICSICKORNKTNU-GRYCIOLGSA-N -1 1 322.413 0.074 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C2(C)CCCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088779361 750003833 /nfs/dbraw/zinc/00/38/33/750003833.db2.gz BDTSLILFWAYZAE-NEPJUHHUSA-N -1 1 321.425 0.768 20 0 DCADMM CC(C)OCCCC(=O)NCC[C@H](C)NC(=O)c1cnn[nH]1 ZINC001077177749 750241160 /nfs/dbraw/zinc/24/11/60/750241160.db2.gz DAPDDUNSUYMDCX-NSHDSACASA-N -1 1 311.386 0.635 20 0 DCADMM Cc1nccc(NC[C@H](O)CNC(=O)c2ncccc2[O-])n1 ZINC001105802284 750484659 /nfs/dbraw/zinc/48/46/59/750484659.db2.gz KEVQCLVOXFFTBW-JTQLQIEISA-N -1 1 303.322 0.088 20 0 DCADMM O=C(c1cccc(=O)[nH]1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044978985 752974728 /nfs/dbraw/zinc/97/47/28/752974728.db2.gz RCDMWMSNZMKVFC-VIFPVBQESA-N -1 1 318.337 0.005 20 0 DCADMM C[C@@H](CCNC(=O)Cc1ncc[nH]1)NC(=O)c1ncccc1[O-] ZINC001078033838 752994158 /nfs/dbraw/zinc/99/41/58/752994158.db2.gz CIQBAUHRJMFVND-JTQLQIEISA-N -1 1 317.349 0.378 20 0 DCADMM Cn1[n-]c(CN2CC[C@](C)(NC(=O)[C@@H]3CC=CCC3)C2)nc1=O ZINC001046138197 753502257 /nfs/dbraw/zinc/50/22/57/753502257.db2.gz SQBOHHAJXIWJFJ-WBMJQRKESA-N -1 1 319.409 0.545 20 0 DCADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(CC(=O)NC2CC2)C1 ZINC001046262319 753598921 /nfs/dbraw/zinc/59/89/21/753598921.db2.gz OQNNJCYPHSGXLF-MRXNPFEDSA-N -1 1 318.377 0.260 20 0 DCADMM Cn1[n-]c(CN2CC[C@](C)(NC(=O)C3CC4(CC4)C3)C2)nc1=O ZINC001046616134 753830501 /nfs/dbraw/zinc/83/05/01/753830501.db2.gz PNPKGIAQCJJOOI-HNNXBMFYSA-N -1 1 319.409 0.379 20 0 DCADMM CCOCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071952296 762252122 /nfs/dbraw/zinc/25/21/22/762252122.db2.gz KIWVIDBECGFATJ-NWDGAFQWSA-N -1 1 321.377 0.791 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@@H]2CN(CCO)CCC2(F)F)c1[O-] ZINC001046928307 754023752 /nfs/dbraw/zinc/02/37/52/754023752.db2.gz OQKYSEMKKJYZDR-SECBINFHSA-N -1 1 318.324 0.103 20 0 DCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2)c1ccn[nH]1 ZINC001047031980 754069555 /nfs/dbraw/zinc/06/95/55/754069555.db2.gz SJBHFJFYYQOICL-GUBZILKMSA-N -1 1 317.353 0.016 20 0 DCADMM CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1nc(=O)n(C)[n-]1 ZINC001049279318 755214577 /nfs/dbraw/zinc/21/45/77/755214577.db2.gz MGGSRCOHGJIOQZ-NEPJUHHUSA-N -1 1 307.398 0.474 20 0 DCADMM CN(C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001096991558 755569203 /nfs/dbraw/zinc/56/92/03/755569203.db2.gz ZQZSTTDWNXOLIP-UTUOFQBUSA-N -1 1 318.377 0.211 20 0 DCADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C(C)(C)C1CC1 ZINC001080297621 756155917 /nfs/dbraw/zinc/15/59/17/756155917.db2.gz FYITVSNFMALSJL-ZYHUDNBSSA-N -1 1 321.425 0.481 20 0 DCADMM COCCN1CC2(C1)C[C@@H](NC(=O)c1ncccc1[O-])CO2 ZINC001053784583 756203136 /nfs/dbraw/zinc/20/31/36/756203136.db2.gz RRBIHDBQVKHXLY-LLVKDONJSA-N -1 1 307.350 0.007 20 0 DCADMM Cc1ccc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H](C)C2)o1 ZINC001054363353 756453592 /nfs/dbraw/zinc/45/35/92/756453592.db2.gz OUPQKRPKGHIWCU-WPRPVWTQSA-N -1 1 305.338 0.662 20 0 DCADMM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1C ZINC001054516973 756524181 /nfs/dbraw/zinc/52/41/81/756524181.db2.gz JKQJZAXUTWWADA-GMSGAONNSA-N -1 1 319.369 0.101 20 0 DCADMM C[C@@H]1CN(C(=O)CCc2ccoc2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054540018 756533677 /nfs/dbraw/zinc/53/36/77/756533677.db2.gz JFCUQZZEFCKQHC-ZYHUDNBSSA-N -1 1 319.365 0.673 20 0 DCADMM Cc1[nH]nc(C(=O)N2C[C@H](NCc3cnns3)[C@@H](C)C2)c1[O-] ZINC001054573015 756545968 /nfs/dbraw/zinc/54/59/68/756545968.db2.gz NGLKFLPDXLTHIL-XVKPBYJWSA-N -1 1 322.394 0.526 20 0 DCADMM C[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054621212 756579371 /nfs/dbraw/zinc/57/93/71/756579371.db2.gz NDNQJWCLBUDYFA-KOLCDFICSA-N -1 1 307.398 0.883 20 0 DCADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054649460 756598658 /nfs/dbraw/zinc/59/86/58/756598658.db2.gz IEBFVHRMQADLSG-JGVFFNPUSA-N -1 1 315.324 0.492 20 0 DCADMM C[C@H]1CN(C(=O)C2C=CC=CC=C2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054699286 756610933 /nfs/dbraw/zinc/61/09/33/756610933.db2.gz HFQNOLMDZVMJIA-AAEUAGOBSA-N -1 1 315.377 0.745 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccns2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054701630 756612157 /nfs/dbraw/zinc/61/21/57/756612157.db2.gz LBEMSFBAEPACKE-SFYZADRCSA-N -1 1 308.367 0.217 20 0 DCADMM CC1(C(=O)NC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2O)CC1 ZINC001081542248 756708183 /nfs/dbraw/zinc/70/81/83/756708183.db2.gz QEDDKATYQKNBOW-CMPLNLGQSA-N -1 1 319.361 0.136 20 0 DCADMM CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001081759678 756795330 /nfs/dbraw/zinc/79/53/30/756795330.db2.gz DUAZTAVXPBBFEI-CMPLNLGQSA-N -1 1 321.377 0.382 20 0 DCADMM CCN1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H](OC)C1 ZINC001082324602 757047666 /nfs/dbraw/zinc/04/76/66/757047666.db2.gz UJXMHUUOESIPEE-MWLCHTKSSA-N -1 1 306.322 0.377 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)c1ccco1 ZINC001082736168 757250160 /nfs/dbraw/zinc/25/01/60/757250160.db2.gz ASTGKIYOTSHADA-GMTAPVOTSA-N -1 1 319.365 0.844 20 0 DCADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ncnc4c3COCC4)c2[nH]1 ZINC001170213989 762569517 /nfs/dbraw/zinc/56/95/17/762569517.db2.gz VSOHTPUVTNOOAP-UHFFFAOYSA-N -1 1 301.266 0.322 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)C=C4CCC4)[C@@H]3C2)nc1=O ZINC001084272911 757766604 /nfs/dbraw/zinc/76/66/04/757766604.db2.gz JEMAXKCKQSQQGS-CHWSQXEVSA-N -1 1 317.393 0.251 20 0 DCADMM COCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050529325 757802016 /nfs/dbraw/zinc/80/20/16/757802016.db2.gz HQGCPMNVRFSPHM-QWRGUYRKSA-N -1 1 307.350 0.400 20 0 DCADMM NC(=O)C1(c2ccc(Nc3[n-]c(=O)nc4nc[nH]c43)nc2)CC1 ZINC001170226775 762580314 /nfs/dbraw/zinc/58/03/14/762580314.db2.gz UHYPWFPLICWYHC-UHFFFAOYSA-N -1 1 311.305 0.714 20 0 DCADMM O=C(CCC(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccccn1 ZINC001170384352 762625488 /nfs/dbraw/zinc/62/54/88/762625488.db2.gz TZINFRDTNICEEL-NSHDSACASA-N -1 1 316.321 0.158 20 0 DCADMM Cc1ccc(C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)o1 ZINC001051417928 758638702 /nfs/dbraw/zinc/63/87/02/758638702.db2.gz KCFMTMHDXVAMOV-SNVBAGLBSA-N -1 1 321.337 0.043 20 0 DCADMM Cc1ncc(CO)c(C(=O)N2CCNCC(F)(F)C2)c1[O-] ZINC001147836904 767856079 /nfs/dbraw/zinc/85/60/79/767856079.db2.gz UFCKXYGTVKCNAV-UHFFFAOYSA-N -1 1 301.293 0.269 20 0 DCADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)C(F)F ZINC001052420619 759408999 /nfs/dbraw/zinc/40/89/99/759408999.db2.gz GEDBSLNNYUGDJZ-DTWKUNHWSA-N -1 1 313.304 0.877 20 0 DCADMM COC(=O)C1(NC(=O)c2c(CO)cnc(C)c2[O-])CCCC1 ZINC001147842497 767859071 /nfs/dbraw/zinc/85/90/71/767859071.db2.gz AIEHOYLGPYQIST-UHFFFAOYSA-N -1 1 308.334 0.804 20 0 DCADMM Cc1noc(CN[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001086067109 759659133 /nfs/dbraw/zinc/65/91/33/759659133.db2.gz JJJDBQMZZSZWOY-PHIMTYICSA-N -1 1 317.349 0.777 20 0 DCADMM C[C@@H](CNc1ncnc2nc[nH]c21)NC(=O)c1ncccc1[O-] ZINC001108323393 760398630 /nfs/dbraw/zinc/39/86/30/760398630.db2.gz OXAJGAFXGBQNKI-QMMMGPOBSA-N -1 1 313.321 0.636 20 0 DCADMM Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@H]3CNC(=O)C3)cc2)[n-]1 ZINC001148337422 767965235 /nfs/dbraw/zinc/96/52/35/767965235.db2.gz ZDJIHAGSBDYFSX-NSHDSACASA-N -1 1 314.345 0.665 20 0 DCADMM Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@H]3CNC(=O)O3)cc2)[n-]1 ZINC001148345059 767967084 /nfs/dbraw/zinc/96/70/84/767967084.db2.gz UEPGAPWJVROJNW-GFCCVEGCSA-N -1 1 316.317 0.637 20 0 DCADMM COc1cc(C)ccc1C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001148462115 767989717 /nfs/dbraw/zinc/98/97/17/767989717.db2.gz ZHHOMBXTCZYURE-UHFFFAOYSA-N -1 1 305.338 0.347 20 0 DCADMM CS[C@@H](CO)[C@@H](C)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001123665254 768042413 /nfs/dbraw/zinc/04/24/13/768042413.db2.gz WLTZJYKZOPSJJE-VDTYLAMSSA-N -1 1 303.409 0.622 20 0 DCADMM CNC(=O)[C@H](C)NC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148997221 768063770 /nfs/dbraw/zinc/06/37/70/768063770.db2.gz XMIZBFRVDXOLFI-YFKPBYRVSA-N -1 1 317.139 0.725 20 0 DCADMM O=C(Cc1ccn(-c2ccccc2)n1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001123869263 768068160 /nfs/dbraw/zinc/06/81/60/768068160.db2.gz NZJIMFLBGCZOLE-GFCCVEGCSA-N -1 1 323.360 0.944 20 0 DCADMM CC(C)[C@H](C)CC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001114004428 762752733 /nfs/dbraw/zinc/75/27/33/762752733.db2.gz ICFIFOPQBDNNSX-FJJYHAOUSA-N -1 1 321.425 0.337 20 0 DCADMM Cc1noc(C(F)F)c1C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001130114648 763131871 /nfs/dbraw/zinc/13/18/71/763131871.db2.gz WRAQBIZSVZLXDG-UHFFFAOYSA-N -1 1 316.268 0.264 20 0 DCADMM Cc1noc(C)c1[C@H](C)CC(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001130433996 763307515 /nfs/dbraw/zinc/30/75/15/763307515.db2.gz DQOBPFYXFNJISN-MRVPVSSYSA-N -1 1 322.369 0.515 20 0 DCADMM COc1ccc(CC(=O)NCCNCc2n[nH]c(=O)[n-]2)cc1F ZINC001130983820 763594064 /nfs/dbraw/zinc/59/40/64/763594064.db2.gz OUCDLBQHFACYOR-UHFFFAOYSA-N -1 1 323.328 0.107 20 0 DCADMM Cc1ccc(CCC(=O)NCCNCc2n[nH]c(=O)[n-]2)cc1 ZINC001131094181 763640509 /nfs/dbraw/zinc/64/05/09/763640509.db2.gz KTWVHRGDMIUUND-UHFFFAOYSA-N -1 1 303.366 0.657 20 0 DCADMM CN(C(=O)CCCn1c2ccccc2oc1=O)c1nn[n-]n1 ZINC001131169286 763681730 /nfs/dbraw/zinc/68/17/30/763681730.db2.gz DHARGQTYBCQGRR-UHFFFAOYSA-N -1 1 302.294 0.551 20 0 DCADMM C[C@H](OCc1ccccc1)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001131184028 763688029 /nfs/dbraw/zinc/68/80/29/763688029.db2.gz XESMZINECVBWRS-NSHDSACASA-N -1 1 319.365 0.321 20 0 DCADMM CC(C)CC(=O)N[C@@H]1CC[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC001131751450 763987330 /nfs/dbraw/zinc/98/73/30/763987330.db2.gz JPVCNBWWOQGDDI-VXGBXAGGSA-N -1 1 309.414 0.624 20 0 DCADMM C[C@H]1CC[C@H](NC(=O)CCCF)CN1Cc1nc(=O)n(C)[n-]1 ZINC001132232239 764325516 /nfs/dbraw/zinc/32/55/16/764325516.db2.gz SLLDGYOKIDPTLP-QWRGUYRKSA-N -1 1 313.377 0.327 20 0 DCADMM Cc1cc(NC[C@H](O)CN(C)C(=O)c2ncccc2[O-])ncn1 ZINC001124328995 768217080 /nfs/dbraw/zinc/21/70/80/768217080.db2.gz FGLYNOGRADWQCA-NSHDSACASA-N -1 1 317.349 0.431 20 0 DCADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CCNC(=O)CC1CC1 ZINC001102634045 764736575 /nfs/dbraw/zinc/73/65/75/764736575.db2.gz VVJKSDYLEILQHT-ZYHUDNBSSA-N -1 1 307.398 0.885 20 0 DCADMM 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DCADMM C[C@@H](CN(C)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1nn[nH]n1 ZINC001592567980 978460813 /nfs/dbraw/zinc/46/08/13/978460813.db2.gz IDOSERMUFHJWHG-LPEHRKFASA-N -1 1 311.342 0.032 20 0 DCADMM C[C@H](CN1CCOCC1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001592616346 978579170 /nfs/dbraw/zinc/57/91/70/978579170.db2.gz SYYSGTQFUMNNFL-OLZOCXBDSA-N -1 1 310.394 0.668 20 0 DCADMM C[C@@H](CN1CCOCC1)C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC001592616524 978579750 /nfs/dbraw/zinc/57/97/50/978579750.db2.gz VJAHCQHFDDWAGY-SMDDNHRTSA-N -1 1 322.361 0.602 20 0 DCADMM C[C@@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001592623873 978596153 /nfs/dbraw/zinc/59/61/53/978596153.db2.gz LMLGIOKSNUMUML-MRTXSQPYSA-N -1 1 310.394 0.570 20 0 DCADMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCCOCC(=O)[O-])n[nH]1 ZINC001595016126 979069173 /nfs/dbraw/zinc/06/91/73/979069173.db2.gz RVGIIFGRLJMYQX-RKDXNWHRSA-N -1 1 313.358 0.780 20 0 DCADMM C[C@@H](CNS(=O)(=O)c1occc1C(=O)[O-])N(C)C1CC1 ZINC001592721782 979220091 /nfs/dbraw/zinc/22/00/91/979220091.db2.gz FTIABLNANWGOQV-QMMMGPOBSA-N -1 1 302.352 0.739 20 0 DCADMM C[C@@H](CS(=O)(=O)N1CCN(C2CCCC2)[C@@H](C)C1)C(=O)[O-] ZINC001592800083 979456934 /nfs/dbraw/zinc/45/69/34/979456934.db2.gz IPZCHXYVUXKFKE-RYUDHWBXSA-N -1 1 318.439 0.986 20 0 DCADMM C[C@H](CS(=O)(=O)N1CCc2nc[nH]c2C12CCC2)C(=O)[O-] ZINC001592800845 979460862 /nfs/dbraw/zinc/46/08/62/979460862.db2.gz SCQHRMRIFJHHSA-SECBINFHSA-N -1 1 313.379 0.698 20 0 DCADMM CCO[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1ncccc1[O-] ZINC001523361267 1014665636 /nfs/dbraw/zinc/66/56/36/1014665636.db2.gz ZVMPHKMPETXCAM-DGCLKSJQSA-N -1 1 321.377 0.791 20 0 DCADMM O=C(NC1CN(C(=O)C2(CCF)CC2)C1)c1ncccc1[O-] ZINC001530411203 1014735244 /nfs/dbraw/zinc/73/52/44/1014735244.db2.gz YATIHAJSEHMGMC-UHFFFAOYSA-N -1 1 307.325 0.868 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001449907020 1014773171 /nfs/dbraw/zinc/77/31/71/1014773171.db2.gz SCHXKLOPGFMCFO-MMPTUQATSA-N -1 1 319.361 0.400 20 0 DCADMM CCCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)OC ZINC001595641182 981966809 /nfs/dbraw/zinc/96/68/09/981966809.db2.gz SURXIGHWDJNQPT-ZETCQYMHSA-N -1 1 320.323 0.383 20 0 DCADMM CCCCC[C@H](NC(=O)CN(C)[C@@H]1CCC[C@H]1O)C(=O)[O-] ZINC001595673345 982141853 /nfs/dbraw/zinc/14/18/53/982141853.db2.gz VQAOUKFHBAMQHL-YNEHKIRRSA-N -1 1 300.399 0.981 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@H](Cn2ccnn2)C1)C(=O)[O-] ZINC001594892205 982293709 /nfs/dbraw/zinc/29/37/09/982293709.db2.gz OTZUGYUPXWCOBT-SGMGOOAPSA-N -1 1 323.397 0.216 20 0 DCADMM Cc1ccc(N2CCN(C(=O)c3cnncc3[O-])CC2=O)cc1 ZINC001550778883 1014861081 /nfs/dbraw/zinc/86/10/81/1014861081.db2.gz UVDRHHPHWCEQIN-UHFFFAOYSA-N -1 1 312.329 0.980 20 0 DCADMM CC1(C)[C@H](N2CCOCC2)C[C@@H]1NC(=O)c1cnncc1O ZINC001550827603 1014878343 /nfs/dbraw/zinc/87/83/43/1014878343.db2.gz WPVIWZNFQHLWMH-QWHCGFSZSA-N -1 1 306.366 0.411 20 0 DCADMM CCCNC(=O)CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001595922835 983042663 /nfs/dbraw/zinc/04/26/63/983042663.db2.gz STSTZDSOOYWIHR-NSHDSACASA-N -1 1 310.354 0.218 20 0 DCADMM CCN(CC)CCS(=O)(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC001596271641 983689271 /nfs/dbraw/zinc/68/92/71/983689271.db2.gz OJQNMNJZUKVQEO-GFCCVEGCSA-N -1 1 306.428 0.987 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CCc1cnc[nH]1 ZINC001596332110 983769530 /nfs/dbraw/zinc/76/95/30/983769530.db2.gz GRMZSGGRURQOCR-NEPJUHHUSA-N -1 1 322.365 0.028 20 0 DCADMM Cn1cc([C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2CO)cn1 ZINC001551141842 1014977012 /nfs/dbraw/zinc/97/70/12/1014977012.db2.gz LXPCVSFURPPDFI-NEPJUHHUSA-N -1 1 302.334 0.369 20 0 DCADMM CCN(CCNCc1n[nH]c(C(C)C)n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596340062 983785710 /nfs/dbraw/zinc/78/57/10/983785710.db2.gz UWEBPHATYFWYFD-MNOVXSKESA-N -1 1 323.397 0.587 20 0 DCADMM CCN1CC[C@H]1CNC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001596414923 984014754 /nfs/dbraw/zinc/01/47/54/984014754.db2.gz FJTTVQLBBOBEOO-NSHDSACASA-N -1 1 309.370 0.919 20 0 DCADMM CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1cn(CC(=O)[O-])nn1 ZINC001596550508 984409328 /nfs/dbraw/zinc/40/93/28/984409328.db2.gz AYBMIWFDSMXDLX-RISCZKNCSA-N -1 1 310.354 0.574 20 0 DCADMM CC[C@@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1ncccc1[O-] ZINC001531068895 1015038729 /nfs/dbraw/zinc/03/87/29/1015038729.db2.gz YXQDFVZKHYXWIL-JQWIXIFHSA-N -1 1 307.350 0.591 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1CC(OC)C1 ZINC001531154075 1015085562 /nfs/dbraw/zinc/08/55/62/1015085562.db2.gz DEQYUTOXQJUNKV-MOENNCHZSA-N -1 1 321.377 0.837 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCO1 ZINC001383696784 985015219 /nfs/dbraw/zinc/01/52/19/985015219.db2.gz BMNVHZDZNVZBJO-CMPLNLGQSA-N -1 1 307.350 0.543 20 0 DCADMM C[C@H]1CN(C(=O)C(C)(C)CN2CCOCC2)CC[C@H]1C(=O)[O-] ZINC001599913524 985021395 /nfs/dbraw/zinc/02/13/95/985021395.db2.gz VTOWZEUKQHMJLS-QWHCGFSZSA-N -1 1 312.410 0.914 20 0 DCADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001596749144 985083745 /nfs/dbraw/zinc/08/37/45/985083745.db2.gz DIXFAAMMWKBCDZ-UHFFFAOYSA-N -1 1 319.277 0.635 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])n2)CCN1CC(C)(C)O ZINC001594494664 985627844 /nfs/dbraw/zinc/62/78/44/985627844.db2.gz SYKVXVFQVUKWRX-LLVKDONJSA-N -1 1 321.377 0.697 20 0 DCADMM C[C@H](C[C@H](C)NC(=O)c1cn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001384528531 985642249 /nfs/dbraw/zinc/64/22/49/985642249.db2.gz AEDAYVKJBKGCDP-DTWKUNHWSA-N -1 1 318.337 0.232 20 0 DCADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCN(C)CCN(C)CC1 ZINC001599959334 985751356 /nfs/dbraw/zinc/75/13/56/985751356.db2.gz VQCJDDVXSVVEGO-UHFFFAOYSA-N -1 1 322.409 0.383 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Cn1cc(C2CC2)cn1 ZINC001594516287 985899405 /nfs/dbraw/zinc/89/94/05/985899405.db2.gz NPMHAFKKNFKBSO-LBPRGKRZSA-N -1 1 320.393 0.768 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cnc2ccccn12 ZINC001594521350 985990101 /nfs/dbraw/zinc/99/01/01/985990101.db2.gz DXNYWDFISSZTBV-LBPRGKRZSA-N -1 1 316.361 0.955 20 0 DCADMM CC(C)N(C)C(=O)[C@@H](C)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589334954 986205843 /nfs/dbraw/zinc/20/58/43/986205843.db2.gz KPLDQEJRTFULBR-MNOVXSKESA-N -1 1 309.370 0.478 20 0 DCADMM C[C@@H]1CN[C@@H](C)CN1S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001594554139 986271131 /nfs/dbraw/zinc/27/11/31/986271131.db2.gz LAYKPXXHQAFMGZ-DTWKUNHWSA-N -1 1 316.354 0.895 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)c2ccnn2C)CC1 ZINC001589360007 986366050 /nfs/dbraw/zinc/36/60/50/986366050.db2.gz GTUHWOSXYBYOEQ-RYUDHWBXSA-N -1 1 308.382 0.531 20 0 DCADMM CC[C@H](C)OCC(=O)N1CCC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001385480576 986374904 /nfs/dbraw/zinc/37/49/04/986374904.db2.gz GDXYJNMJGNAOLO-QWRGUYRKSA-N -1 1 309.370 0.341 20 0 DCADMM C[C@H](C(=O)NC(=O)NC1CC1)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001589376398 986437585 /nfs/dbraw/zinc/43/75/85/986437585.db2.gz ZCPABBYBWBHTJG-BDAKNGLRSA-N -1 1 315.395 0.113 20 0 DCADMM C[C@H]1COC2(CCCC2)CN1CCc1cn(CC(=O)[O-])nn1 ZINC001594593959 986504274 /nfs/dbraw/zinc/50/42/74/986504274.db2.gz XWXYGSYXJCIUQO-LBPRGKRZSA-N -1 1 308.382 0.939 20 0 DCADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@@H](O)C1 ZINC001589414242 986628934 /nfs/dbraw/zinc/62/89/34/986628934.db2.gz CFBDZVWKGGPVGK-BXUZGUMPSA-N -1 1 306.362 0.846 20 0 DCADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(O)CC1 ZINC001589414705 986637217 /nfs/dbraw/zinc/63/72/17/986637217.db2.gz LAUSXZCPTJUVME-LLVKDONJSA-N -1 1 306.362 0.846 20 0 DCADMM CCOCC(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001450604153 1015242957 /nfs/dbraw/zinc/24/29/57/1015242957.db2.gz XHXJUBDGPVEYTH-XYPYZODXSA-N -1 1 307.350 0.448 20 0 DCADMM C[C@@H]1NCCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)[C@H]1C ZINC001594631176 986731320 /nfs/dbraw/zinc/73/13/20/986731320.db2.gz FSEZJKNAPOISFU-QWRGUYRKSA-N -1 1 312.391 0.897 20 0 DCADMM C[C@H]1NCCN(S(=O)(=O)c2csc(C(=O)[O-])c2)[C@@H]1C ZINC001594632665 986742482 /nfs/dbraw/zinc/74/24/82/986742482.db2.gz PTFWKGFLHPMDQK-HTQZYQBOSA-N -1 1 304.393 0.817 20 0 DCADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001386239967 986987598 /nfs/dbraw/zinc/98/75/98/986987598.db2.gz ODCXMUGEUQNHEX-ZETCQYMHSA-N -1 1 319.321 0.073 20 0 DCADMM C[C@@H](CNC(=O)CCc1c[nH]cn1)NC(=O)c1ncccc1[O-] ZINC001386326416 987075887 /nfs/dbraw/zinc/07/58/87/987075887.db2.gz PUPGKLORPIJVTC-JTQLQIEISA-N -1 1 317.349 0.378 20 0 DCADMM C[C@H](CNC(=O)c1ccnnc1)NC(=O)c1ncccc1[O-] ZINC001386512252 987189106 /nfs/dbraw/zinc/18/91/06/987189106.db2.gz UXVLBAVRCPUMDG-SECBINFHSA-N -1 1 301.306 0.126 20 0 DCADMM Cc1cc[nH]c1C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001386749776 987367120 /nfs/dbraw/zinc/36/71/20/987367120.db2.gz QPOIBUPSNZCRAG-SNVBAGLBSA-N -1 1 302.334 0.972 20 0 DCADMM Cc1cccc(C(=O)NCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001386806155 987414075 /nfs/dbraw/zinc/41/40/75/987414075.db2.gz YCUVBOPJTZRJNU-UHFFFAOYSA-N -1 1 314.345 0.993 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1CC1(F)F ZINC001532199857 1015305883 /nfs/dbraw/zinc/30/58/83/1015305883.db2.gz VEPRSRWHDFMUFS-IUCAKERBSA-N -1 1 313.304 0.925 20 0 DCADMM C[C@@H]1OCC[C@@]1(C)C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001386851452 987452159 /nfs/dbraw/zinc/45/21/59/987452159.db2.gz KJLIAVMKGCDVNS-MEDUHNTESA-N -1 1 321.377 0.791 20 0 DCADMM CCc1c[nH]c(=O)c(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC001597419520 987723386 /nfs/dbraw/zinc/72/33/86/987723386.db2.gz BGRKKZHSBMJHAP-NSHDSACASA-N -1 1 321.377 0.971 20 0 DCADMM CO[C@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387614016 987942166 /nfs/dbraw/zinc/94/21/66/987942166.db2.gz PJESZLFQUBQICF-NEPJUHHUSA-N -1 1 321.377 0.743 20 0 DCADMM C[C@@H]1CC[C@@H](CC(=O)N(C)CCNC(=O)c2ncccc2[O-])O1 ZINC001387697973 988041437 /nfs/dbraw/zinc/04/14/37/988041437.db2.gz YGOLOQBRHLQNFU-NEPJUHHUSA-N -1 1 321.377 0.933 20 0 DCADMM CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001589814142 988243733 /nfs/dbraw/zinc/24/37/33/988243733.db2.gz DGGTWAHLXVAQON-NWDGAFQWSA-N -1 1 323.393 0.265 20 0 DCADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)CC(=O)[O-])CC1 ZINC001589824402 988287643 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/nfs/dbraw/zinc/51/81/99/415518199.db2.gz XLMDGUJNVWZJGH-VIFPVBQESA-N -1 1 317.349 0.436 20 0 DCADMM O=C(NCCc1cc(F)ccc1F)c1cc(=O)n2[n-]cnc2n1 ZINC000353635933 415608485 /nfs/dbraw/zinc/60/84/85/415608485.db2.gz NYXLYMYDGQWPDA-UHFFFAOYSA-N -1 1 319.271 0.668 20 0 DCADMM COc1cccc(S([O-])=CC(=O)NCCc2nc(C)n[nH]2)c1 ZINC000424641913 287311883 /nfs/dbraw/zinc/31/18/83/287311883.db2.gz CWFZVVITXWVNLU-JOCHJYFZSA-N -1 1 322.390 0.588 20 0 DCADMM COc1ccc(O)c(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000282822832 415584152 /nfs/dbraw/zinc/58/41/52/415584152.db2.gz CMYXMVYCLZSUPX-VIFPVBQESA-N -1 1 318.333 0.832 20 0 DCADMM CCC[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(N)=O ZINC000343435773 415598188 /nfs/dbraw/zinc/59/81/88/415598188.db2.gz XYJQQXIBCAATRE-LLVKDONJSA-N -1 1 319.365 0.364 20 0 DCADMM COc1cc(C)cc(CNC(=O)c2cc(=O)n3[n-]cnc3n2)c1 ZINC000353869700 415682148 /nfs/dbraw/zinc/68/21/48/415682148.db2.gz JZTWWBVWGHMLCR-UHFFFAOYSA-N -1 1 313.317 0.665 20 0 DCADMM 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COC(=O)c1coc(S(=O)(=O)[N-]C[C@H](C)C(=O)OC)c1 ZINC000338229188 416062184 /nfs/dbraw/zinc/06/21/84/416062184.db2.gz DGNVAHFPHGYCGC-ZETCQYMHSA-N -1 1 305.308 0.154 20 0 DCADMM O=C(Nc1nnn[n-]1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000173809035 416065586 /nfs/dbraw/zinc/06/55/86/416065586.db2.gz ULSNABSFJXASPJ-SECBINFHSA-N -1 1 306.713 0.845 20 0 DCADMM O=C(Nc1nn[n-]n1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000173809035 416065588 /nfs/dbraw/zinc/06/55/88/416065588.db2.gz ULSNABSFJXASPJ-SECBINFHSA-N -1 1 306.713 0.845 20 0 DCADMM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CCOC ZINC000338429613 416096654 /nfs/dbraw/zinc/09/66/54/416096654.db2.gz ZWPREJGINRMCOK-CYBMUJFWSA-N -1 1 315.391 0.727 20 0 DCADMM O=C(NCCc1nc[nH]n1)c1nn(-c2ccccc2F)cc1[O-] ZINC000345726019 416140928 /nfs/dbraw/zinc/14/09/28/416140928.db2.gz YGFFKIMURFBBNV-UHFFFAOYSA-N -1 1 316.296 0.808 20 0 DCADMM C[C@H](CN(C)C(=O)CCNC(=O)c1ccsc1)c1nn[n-]n1 ZINC000358017274 416171080 /nfs/dbraw/zinc/17/10/80/416171080.db2.gz IKOLTXFVFRAPIS-SECBINFHSA-N 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COc1cccc(F)c1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000352286193 416315137 /nfs/dbraw/zinc/31/51/37/416315137.db2.gz PFASIRZFZJEWJL-UHFFFAOYSA-N -1 1 314.298 0.608 20 0 DCADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(=O)c(OC)co2)n1 ZINC000352151669 416296216 /nfs/dbraw/zinc/29/62/16/416296216.db2.gz SWNZTAYZTUJWFL-UHFFFAOYSA-N -1 1 307.262 0.801 20 0 DCADMM CCn1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cn1 ZINC000265190688 416340577 /nfs/dbraw/zinc/34/05/77/416340577.db2.gz RQGLCWYXODATQA-UHFFFAOYSA-N -1 1 312.351 0.334 20 0 DCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2n[nH]c(C)c2C)c1 ZINC000359693375 416353845 /nfs/dbraw/zinc/35/38/45/416353845.db2.gz ORENWMHVNVNMSV-UHFFFAOYSA-N -1 1 324.362 0.893 20 0 DCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccncn2)c1 ZINC000359693717 416354113 /nfs/dbraw/zinc/35/41/13/416354113.db2.gz PQJQSBWVAHEOAI-UHFFFAOYSA-N -1 1 308.319 0.343 20 0 DCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC(O)C2)o1 ZINC000331513624 416323150 /nfs/dbraw/zinc/32/31/50/416323150.db2.gz LHCPDNNRIAVQPA-UHFFFAOYSA-N 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Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCC(C)(C)CO)n1 ZINC000822613765 606173499 /nfs/dbraw/zinc/17/34/99/606173499.db2.gz GYGXDAIKZDAQBK-UHFFFAOYSA-N -1 1 322.373 0.520 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)NCC(C)(C)O)cc1-c1nn[n-]n1 ZINC000821979774 606286203 /nfs/dbraw/zinc/28/62/03/606286203.db2.gz WKITYOKPSVCGIR-UHFFFAOYSA-N -1 1 324.366 0.190 20 0 DCADMM CC(C)COC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820102772 606291145 /nfs/dbraw/zinc/29/11/45/606291145.db2.gz JYXYGLZVNXBPIA-LLVKDONJSA-N -1 1 320.353 0.025 20 0 DCADMM CC(C)COC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820102772 606291147 /nfs/dbraw/zinc/29/11/47/606291147.db2.gz JYXYGLZVNXBPIA-LLVKDONJSA-N -1 1 320.353 0.025 20 0 DCADMM Cn1cc(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000822681585 606517584 /nfs/dbraw/zinc/51/75/84/606517584.db2.gz YJZCOOBBTRBXBJ-UHFFFAOYSA-N -1 1 313.321 0.671 20 0 DCADMM Cn1cc(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000822681585 606517586 /nfs/dbraw/zinc/51/75/86/606517586.db2.gz YJZCOOBBTRBXBJ-UHFFFAOYSA-N -1 1 313.321 0.671 20 0 DCADMM Cn1cnc2c1CCN(C(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC000822699387 606543020 /nfs/dbraw/zinc/54/30/20/606543020.db2.gz ZAPXRZSWNMDOJA-UHFFFAOYSA-N -1 1 315.362 0.860 20 0 DCADMM Cn1cnc2c1CCN(C(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC000822699387 606543022 /nfs/dbraw/zinc/54/30/22/606543022.db2.gz ZAPXRZSWNMDOJA-UHFFFAOYSA-N -1 1 315.362 0.860 20 0 DCADMM COC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821655602 606547398 /nfs/dbraw/zinc/54/73/98/606547398.db2.gz ODQUMGBTZVORDX-QMMMGPOBSA-N -1 1 321.362 0.953 20 0 DCADMM COC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821655602 606547400 /nfs/dbraw/zinc/54/74/00/606547400.db2.gz ODQUMGBTZVORDX-QMMMGPOBSA-N -1 1 321.362 0.953 20 0 DCADMM O=C(NCCN1CCSCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823196867 606561256 /nfs/dbraw/zinc/56/12/56/606561256.db2.gz LBJLJVAADPAGCH-UHFFFAOYSA-N -1 1 324.435 0.707 20 0 DCADMM O=C(N[C@@H]1CCc2n[nH]cc2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823162591 606562227 /nfs/dbraw/zinc/56/22/27/606562227.db2.gz XFAFAQIXWUAHDO-MRVPVSSYSA-N -1 1 315.362 0.939 20 0 DCADMM CSC[C@@](C)(O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821956350 606569858 /nfs/dbraw/zinc/56/98/58/606569858.db2.gz MQWQTRGIMIHWSN-NSHDSACASA-N -1 1 313.408 0.772 20 0 DCADMM CSC[C@@](C)(O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821956350 606569860 /nfs/dbraw/zinc/56/98/60/606569860.db2.gz MQWQTRGIMIHWSN-NSHDSACASA-N -1 1 313.408 0.772 20 0 DCADMM CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821629884 606582705 /nfs/dbraw/zinc/58/27/05/606582705.db2.gz FLZDIFSENYWKFF-ZETCQYMHSA-N -1 1 308.367 0.382 20 0 DCADMM CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821629884 606582707 /nfs/dbraw/zinc/58/27/07/606582707.db2.gz FLZDIFSENYWKFF-ZETCQYMHSA-N -1 1 308.367 0.382 20 0 DCADMM CC(C)(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(N)=O ZINC000819951761 606683080 /nfs/dbraw/zinc/68/30/80/606683080.db2.gz WHQXHRQDDORDBZ-MRVPVSSYSA-N -1 1 308.367 0.558 20 0 DCADMM CC(C)(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(N)=O ZINC000819951761 606683081 /nfs/dbraw/zinc/68/30/81/606683081.db2.gz WHQXHRQDDORDBZ-MRVPVSSYSA-N -1 1 308.367 0.558 20 0 DCADMM O=C(NCC1(CCO)CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823167149 606769815 /nfs/dbraw/zinc/76/98/15/606769815.db2.gz YAHOPDDMJMMQFB-UHFFFAOYSA-N -1 1 316.365 0.934 20 0 DCADMM O=C(NCC1(CCO)CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823167149 606769816 /nfs/dbraw/zinc/76/98/16/606769816.db2.gz YAHOPDDMJMMQFB-UHFFFAOYSA-N -1 1 316.365 0.934 20 0 DCADMM CC[C@](C)(CCO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820853780 606805800 /nfs/dbraw/zinc/80/58/00/606805800.db2.gz PEHVUIKQTBFLKF-GFCCVEGCSA-N -1 1 308.346 0.273 20 0 DCADMM CC[C@](C)(CCO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820853780 606805802 /nfs/dbraw/zinc/80/58/02/606805802.db2.gz PEHVUIKQTBFLKF-GFCCVEGCSA-N -1 1 308.346 0.273 20 0 DCADMM CCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821001618 606820648 /nfs/dbraw/zinc/82/06/48/606820648.db2.gz SAJUXAUGHBPVST-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821001618 606820650 /nfs/dbraw/zinc/82/06/50/606820650.db2.gz SAJUXAUGHBPVST-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CC1 ZINC000820778476 606823787 /nfs/dbraw/zinc/82/37/87/606823787.db2.gz XKLUURPZDJDHTB-VIFPVBQESA-N -1 1 314.353 0.104 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CC1 ZINC000820778476 606823788 /nfs/dbraw/zinc/82/37/88/606823788.db2.gz XKLUURPZDJDHTB-VIFPVBQESA-N -1 1 314.353 0.104 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccn(C2CCCC2)n1 ZINC000822904135 606968554 /nfs/dbraw/zinc/96/85/54/606968554.db2.gz SUSJCWBHSQCKBN-UHFFFAOYSA-N -1 1 313.325 0.646 20 0 DCADMM CC(=O)N[C@@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)C(C)C ZINC000819802411 607024659 /nfs/dbraw/zinc/02/46/59/607024659.db2.gz ANHFYSLOUDRLEF-MRVPVSSYSA-N -1 1 309.355 0.422 20 0 DCADMM CC(=O)N[C@@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)C(C)C ZINC000819802411 607024661 /nfs/dbraw/zinc/02/46/61/607024661.db2.gz ANHFYSLOUDRLEF-MRVPVSSYSA-N -1 1 309.355 0.422 20 0 DCADMM CCc1nnc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)n1N ZINC000821548601 607027885 /nfs/dbraw/zinc/02/78/85/607027885.db2.gz PPQXKQUKBHVRCQ-UHFFFAOYSA-N -1 1 323.773 0.934 20 0 DCADMM CCc1nnc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)n1N ZINC000821548601 607027887 /nfs/dbraw/zinc/02/78/87/607027887.db2.gz PPQXKQUKBHVRCQ-UHFFFAOYSA-N -1 1 323.773 0.934 20 0 DCADMM Cc1nn(C)c(C)c1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822486304 607104587 /nfs/dbraw/zinc/10/45/87/607104587.db2.gz FSKAMVANAOURJS-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM Cc1nn(C)c(C)c1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822486304 607104588 /nfs/dbraw/zinc/10/45/88/607104588.db2.gz FSKAMVANAOURJS-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821652576 607137925 /nfs/dbraw/zinc/13/79/25/607137925.db2.gz WDLGSWZGJOXFOH-ZDUSSCGKSA-N -1 1 321.362 0.953 20 0 DCADMM COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821652576 607137926 /nfs/dbraw/zinc/13/79/26/607137926.db2.gz WDLGSWZGJOXFOH-ZDUSSCGKSA-N -1 1 321.362 0.953 20 0 DCADMM Cc1ccc(F)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822239804 607205770 /nfs/dbraw/zinc/20/57/70/607205770.db2.gz FGGQDFXDLFWBEJ-UHFFFAOYSA-N -1 1 302.273 0.544 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1C1CCCC1 ZINC000823123379 607209910 /nfs/dbraw/zinc/20/99/10/607209910.db2.gz XSXWTISXJKXGDT-LLVKDONJSA-N -1 1 316.369 0.639 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1C[C@H]1c1ccccc1 ZINC000823126902 607210848 /nfs/dbraw/zinc/21/08/48/607210848.db2.gz NEZUORMQUYOERM-QWRGUYRKSA-N -1 1 310.321 0.131 20 0 DCADMM CC[C@H](C)[C@H](C)N(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC000820859143 607214254 /nfs/dbraw/zinc/21/42/54/607214254.db2.gz BOSOKMNFZVZSPB-UWVGGRQHSA-N -1 1 318.385 0.884 20 0 DCADMM CC(C)(C)C1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000819907946 607217195 /nfs/dbraw/zinc/21/71/95/607217195.db2.gz UKQQEAUAYYFJNW-UHFFFAOYSA-N -1 1 318.385 0.743 20 0 DCADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820675522 607217276 /nfs/dbraw/zinc/21/72/76/607217276.db2.gz JYUBVAIFBMTJAE-GMTAPVOTSA-N -1 1 316.369 0.638 20 0 DCADMM C[C@H]1CCCC[C@@H]1CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820698030 607217604 /nfs/dbraw/zinc/21/76/04/607217604.db2.gz PDEWIWMYDCTDIR-WDEREUQCSA-N -1 1 318.385 0.791 20 0 DCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)S(C)(=O)=O ZINC000824433157 607822298 /nfs/dbraw/zinc/82/22/98/607822298.db2.gz CMISKUNCKVNINO-SCSAIBSYSA-N -1 1 322.803 0.822 20 0 DCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)S(C)(=O)=O ZINC000824433157 607822297 /nfs/dbraw/zinc/82/22/97/607822297.db2.gz CMISKUNCKVNINO-SCSAIBSYSA-N -1 1 322.803 0.822 20 0 DCADMM Cc1cnccc1CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826319428 607855944 /nfs/dbraw/zinc/85/59/44/607855944.db2.gz CEWSWMKUGHKZOQ-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1cnccc1CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826319428 607855945 /nfs/dbraw/zinc/85/59/45/607855945.db2.gz CEWSWMKUGHKZOQ-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM CN(C[C@H]1CCC[C@H]1O)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825908861 607862770 /nfs/dbraw/zinc/86/27/70/607862770.db2.gz NIOLDWDNQCAFLJ-ZYHUDNBSSA-N -1 1 302.338 0.495 20 0 DCADMM CN(C[C@H]1CCC[C@H]1O)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825908861 607862771 /nfs/dbraw/zinc/86/27/71/607862771.db2.gz NIOLDWDNQCAFLJ-ZYHUDNBSSA-N -1 1 302.338 0.495 20 0 DCADMM O=S(=O)(CCn1ccnc1-c1nnn[n-]1)c1ccccc1 ZINC000826485269 607868569 /nfs/dbraw/zinc/86/85/69/607868569.db2.gz ITXYZOZTTWTDBW-UHFFFAOYSA-N -1 1 304.335 0.537 20 0 DCADMM O=S(=O)(CCn1ccnc1-c1nn[n-]n1)c1ccccc1 ZINC000826485269 607868570 /nfs/dbraw/zinc/86/85/70/607868570.db2.gz ITXYZOZTTWTDBW-UHFFFAOYSA-N -1 1 304.335 0.537 20 0 DCADMM Cc1nc([C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)no1 ZINC000826324773 607898354 /nfs/dbraw/zinc/89/83/54/607898354.db2.gz DITAHNKOUCQYNM-JTQLQIEISA-N -1 1 314.309 0.531 20 0 DCADMM Cc1nc([C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)no1 ZINC000826324773 607898355 /nfs/dbraw/zinc/89/83/55/607898355.db2.gz DITAHNKOUCQYNM-JTQLQIEISA-N -1 1 314.309 0.531 20 0 DCADMM O=C1c2ccccc2C(=O)N1CCCn1ccnc1-c1nnn[n-]1 ZINC000826483312 608013614 /nfs/dbraw/zinc/01/36/14/608013614.db2.gz JFOSOHGNXFIUTQ-UHFFFAOYSA-N -1 1 323.316 0.750 20 0 DCADMM O=C1c2ccccc2C(=O)N1CCCn1ccnc1-c1nn[n-]n1 ZINC000826483312 608013615 /nfs/dbraw/zinc/01/36/15/608013615.db2.gz JFOSOHGNXFIUTQ-UHFFFAOYSA-N -1 1 323.316 0.750 20 0 DCADMM Cc1cncc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000826319842 608032133 /nfs/dbraw/zinc/03/21/33/608032133.db2.gz VQJPENOCYPYFLU-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1cncc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000826319842 608032134 /nfs/dbraw/zinc/03/21/34/608032134.db2.gz VQJPENOCYPYFLU-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826321648 608119999 /nfs/dbraw/zinc/11/99/99/608119999.db2.gz LBCPNXMXEOVQAY-LURJTMIESA-N -1 1 315.341 0.819 20 0 DCADMM C[C@@H](CN1CCOCC1)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824420052 608142392 /nfs/dbraw/zinc/14/23/92/608142392.db2.gz FLQDTZJLKZPCQK-JTQLQIEISA-N -1 1 318.337 0.139 20 0 DCADMM C[C@@H](CN1CCOCC1)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824420052 608142391 /nfs/dbraw/zinc/14/23/91/608142391.db2.gz FLQDTZJLKZPCQK-JTQLQIEISA-N -1 1 318.337 0.139 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826060643 608244173 /nfs/dbraw/zinc/24/41/73/608244173.db2.gz QAONOPAEKRGAIJ-SFYZADRCSA-N -1 1 320.378 0.573 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826060643 608244176 /nfs/dbraw/zinc/24/41/76/608244176.db2.gz QAONOPAEKRGAIJ-SFYZADRCSA-N -1 1 320.378 0.573 20 0 DCADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC000824961359 608342090 /nfs/dbraw/zinc/34/20/90/608342090.db2.gz BXARYVONIPXQLH-VHSXEESVSA-N -1 1 322.394 0.928 20 0 DCADMM C[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC000824961359 608342093 /nfs/dbraw/zinc/34/20/93/608342093.db2.gz BXARYVONIPXQLH-VHSXEESVSA-N -1 1 322.394 0.928 20 0 DCADMM c1ccc2c(c1)OC[C@@H](CNc1ccc(-c3nnn[n-]3)nn1)O2 ZINC000826524362 608390764 /nfs/dbraw/zinc/39/07/64/608390764.db2.gz SCFLZNWJTBIDTH-SECBINFHSA-N -1 1 311.305 0.909 20 0 DCADMM c1ccc2c(c1)OC[C@@H](CNc1ccc(-c3nn[n-]n3)nn1)O2 ZINC000826524362 608390766 /nfs/dbraw/zinc/39/07/66/608390766.db2.gz SCFLZNWJTBIDTH-SECBINFHSA-N -1 1 311.305 0.909 20 0 DCADMM COc1ccccc1[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826218483 608398651 /nfs/dbraw/zinc/39/86/51/608398651.db2.gz DDGFTDQHLHMOLF-NSHDSACASA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccccc1[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826218483 608398654 /nfs/dbraw/zinc/39/86/54/608398654.db2.gz DDGFTDQHLHMOLF-NSHDSACASA-N -1 1 313.321 0.811 20 0 DCADMM Cn1nccc1[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826366800 608401867 /nfs/dbraw/zinc/40/18/67/608401867.db2.gz YGEQOJQXELPISD-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nccc1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826366800 608401868 /nfs/dbraw/zinc/40/18/68/608401868.db2.gz YGEQOJQXELPISD-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(=O)NCc1ccccc1 ZINC000824649519 608402760 /nfs/dbraw/zinc/40/27/60/608402760.db2.gz NELXYBHZWOMOOF-SNVBAGLBSA-N -1 1 324.348 0.774 20 0 DCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(=O)NCc1ccccc1 ZINC000824649519 608402761 /nfs/dbraw/zinc/40/27/61/608402761.db2.gz NELXYBHZWOMOOF-SNVBAGLBSA-N -1 1 324.348 0.774 20 0 DCADMM OCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC000826510358 608403855 /nfs/dbraw/zinc/40/38/55/608403855.db2.gz MHUVYYWKHBMWFA-UHFFFAOYSA-N -1 1 301.285 0.900 20 0 DCADMM OCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC000826510358 608403856 /nfs/dbraw/zinc/40/38/56/608403856.db2.gz MHUVYYWKHBMWFA-UHFFFAOYSA-N -1 1 301.285 0.900 20 0 DCADMM COCCCn1ccc(Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826157047 608423054 /nfs/dbraw/zinc/42/30/54/608423054.db2.gz FYJNGJIHPVXCIH-UHFFFAOYSA-N -1 1 301.314 0.633 20 0 DCADMM COCCCn1ccc(Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826157047 608423055 /nfs/dbraw/zinc/42/30/55/608423055.db2.gz FYJNGJIHPVXCIH-UHFFFAOYSA-N -1 1 301.314 0.633 20 0 DCADMM COC(=O)C1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC000826124520 608427772 /nfs/dbraw/zinc/42/77/72/608427772.db2.gz SHENNCHBQJSEMJ-UHFFFAOYSA-N -1 1 303.326 0.802 20 0 DCADMM COC(=O)C1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC000826124520 608427774 /nfs/dbraw/zinc/42/77/74/608427774.db2.gz SHENNCHBQJSEMJ-UHFFFAOYSA-N -1 1 303.326 0.802 20 0 DCADMM c1ccc(CO[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC000826521613 608435349 /nfs/dbraw/zinc/43/53/49/608435349.db2.gz SFTUNICXGADYBP-GFCCVEGCSA-N -1 1 324.348 0.847 20 0 DCADMM c1ccc(CO[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC000826521613 608435353 /nfs/dbraw/zinc/43/53/53/608435353.db2.gz SFTUNICXGADYBP-GFCCVEGCSA-N -1 1 324.348 0.847 20 0 DCADMM c1cc(N2CC[C@@H](C3CCOCC3)C2)nnc1-c1nnn[n-]1 ZINC000826516270 608438214 /nfs/dbraw/zinc/43/82/14/608438214.db2.gz DMNRNSGOMBODFQ-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1cc(N2CC[C@@H](C3CCOCC3)C2)nnc1-c1nn[n-]n1 ZINC000826516270 608438215 /nfs/dbraw/zinc/43/82/15/608438215.db2.gz DMNRNSGOMBODFQ-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM CO[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826146631 608473632 /nfs/dbraw/zinc/47/36/32/608473632.db2.gz YSNPPSIDZOMJLO-SKDRFNHKSA-N -1 1 302.338 0.807 20 0 DCADMM CO[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826146631 608473634 /nfs/dbraw/zinc/47/36/34/608473634.db2.gz YSNPPSIDZOMJLO-SKDRFNHKSA-N -1 1 302.338 0.807 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1NCC(C)(C)S(C)(=O)=O ZINC000826280765 608546105 /nfs/dbraw/zinc/54/61/05/608546105.db2.gz ORGFBIBBEURXQA-UHFFFAOYSA-N -1 1 310.383 0.805 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCC(C)(C)S(C)(=O)=O ZINC000826280765 608546106 /nfs/dbraw/zinc/54/61/06/608546106.db2.gz ORGFBIBBEURXQA-UHFFFAOYSA-N -1 1 310.383 0.805 20 0 DCADMM O=S1(=O)CCC(CCNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826497007 608552489 /nfs/dbraw/zinc/55/24/89/608552489.db2.gz QSUQLBDVUYOCOF-UHFFFAOYSA-N -1 1 322.394 0.889 20 0 DCADMM O=S1(=O)CCC(CCNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826497007 608552491 /nfs/dbraw/zinc/55/24/91/608552491.db2.gz QSUQLBDVUYOCOF-UHFFFAOYSA-N -1 1 322.394 0.889 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCC1CC1 ZINC000825923618 608555126 /nfs/dbraw/zinc/55/51/26/608555126.db2.gz OWOCLOGLGNNRBA-UHFFFAOYSA-N -1 1 318.385 0.753 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCC1CC1 ZINC000825923618 608555127 /nfs/dbraw/zinc/55/51/27/608555127.db2.gz OWOCLOGLGNNRBA-UHFFFAOYSA-N -1 1 318.385 0.753 20 0 DCADMM CCS(=O)(=O)CCN(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825663064 608724617 /nfs/dbraw/zinc/72/46/17/608724617.db2.gz HLOTZTQDRALGBI-UHFFFAOYSA-N -1 1 315.424 0.795 20 0 DCADMM O=C1[C@@H](n2ccnc2-c2nnn[n-]2)CCN1CC(F)(F)F ZINC000826477339 608891594 /nfs/dbraw/zinc/89/15/94/608891594.db2.gz AKCIKRMWXXFQSI-LURJTMIESA-N -1 1 301.232 0.399 20 0 DCADMM O=C1[C@@H](n2ccnc2-c2nn[n-]n2)CCN1CC(F)(F)F ZINC000826477339 608891596 /nfs/dbraw/zinc/89/15/96/608891596.db2.gz AKCIKRMWXXFQSI-LURJTMIESA-N -1 1 301.232 0.399 20 0 DCADMM Cc1ncsc1-c1nc(Cn2ccnc2-c2nnn[n-]2)no1 ZINC000826331429 608892385 /nfs/dbraw/zinc/89/23/85/608892385.db2.gz ICGDKEIMSVMRTK-UHFFFAOYSA-N -1 1 315.322 0.926 20 0 DCADMM Cc1ncsc1-c1nc(Cn2ccnc2-c2nn[n-]n2)no1 ZINC000826331429 608892387 /nfs/dbraw/zinc/89/23/87/608892387.db2.gz ICGDKEIMSVMRTK-UHFFFAOYSA-N -1 1 315.322 0.926 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCC(=O)c1ccccc1 ZINC000826425015 608893750 /nfs/dbraw/zinc/89/37/50/608893750.db2.gz MPEYJSSQZLROQX-UHFFFAOYSA-N -1 1 311.305 0.062 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCC(=O)c1ccccc1 ZINC000826425015 608893753 /nfs/dbraw/zinc/89/37/53/608893753.db2.gz MPEYJSSQZLROQX-UHFFFAOYSA-N -1 1 311.305 0.062 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(C)CCOCC2)n1 ZINC000826357204 609272959 /nfs/dbraw/zinc/27/29/59/609272959.db2.gz VSZUPXAXMNGFIA-UHFFFAOYSA-N -1 1 306.330 0.291 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(C)CCOCC2)n1 ZINC000826357204 609272960 /nfs/dbraw/zinc/27/29/60/609272960.db2.gz VSZUPXAXMNGFIA-UHFFFAOYSA-N -1 1 306.330 0.291 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H]1F ZINC000824949604 609381428 /nfs/dbraw/zinc/38/14/28/609381428.db2.gz YGIUTJIFUJQMQC-APPZFPTMSA-N -1 1 308.321 0.812 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H]1F ZINC000824949604 609381430 /nfs/dbraw/zinc/38/14/30/609381430.db2.gz YGIUTJIFUJQMQC-APPZFPTMSA-N -1 1 308.321 0.812 20 0 DCADMM CN(C)C(=O)NCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825845862 609384883 /nfs/dbraw/zinc/38/48/83/609384883.db2.gz NBMHCJBFECPAQB-UHFFFAOYSA-N -1 1 310.749 0.598 20 0 DCADMM CN(C)C(=O)NCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825845862 609384886 /nfs/dbraw/zinc/38/48/86/609384886.db2.gz NBMHCJBFECPAQB-UHFFFAOYSA-N -1 1 310.749 0.598 20 0 DCADMM CC(C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000824222958 609402042 /nfs/dbraw/zinc/40/20/42/609402042.db2.gz DGJDLKZTZHKTFX-LBPRGKRZSA-N -1 1 302.338 0.759 20 0 DCADMM CC(C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000824222958 609402044 /nfs/dbraw/zinc/40/20/44/609402044.db2.gz DGJDLKZTZHKTFX-LBPRGKRZSA-N -1 1 302.338 0.759 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](C)[C@H](F)C2)c1-c1nnn[n-]1 ZINC000826344014 609472780 /nfs/dbraw/zinc/47/27/80/609472780.db2.gz UZBNHLVTZVFUBA-VXNVDRBHSA-N -1 1 308.317 0.912 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](C)[C@H](F)C2)c1-c1nn[n-]n1 ZINC000826344014 609472783 /nfs/dbraw/zinc/47/27/83/609472783.db2.gz UZBNHLVTZVFUBA-VXNVDRBHSA-N -1 1 308.317 0.912 20 0 DCADMM COCc1nc(N2CCCC[C@H](S(C)(=O)=O)C2)cc(=O)[n-]1 ZINC000893529293 660462630 /nfs/dbraw/zinc/46/26/30/660462630.db2.gz SWKGBHHATYOGOZ-JTQLQIEISA-N -1 1 315.395 0.732 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)C=C2CCC2)CCO1 ZINC000979275442 660700375 /nfs/dbraw/zinc/70/03/75/660700375.db2.gz PTJIMBDZLRIERQ-ZYHUDNBSSA-N -1 1 321.381 0.326 20 0 DCADMM O=C(NC[C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1)c1ncccc1[O-] ZINC000979665802 660797741 /nfs/dbraw/zinc/79/77/41/660797741.db2.gz SCTCZHDHWSQFDT-NQBHXWOUSA-N -1 1 319.361 0.591 20 0 DCADMM Cn1nncc1CN1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001027844330 660828769 /nfs/dbraw/zinc/82/87/69/660828769.db2.gz QLBVNMWSFNSINH-NSHDSACASA-N -1 1 316.365 0.310 20 0 DCADMM Cc1nocc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc[nH]c1=O ZINC001027957619 660975209 /nfs/dbraw/zinc/97/52/09/660975209.db2.gz GCMAPYCCCYNWFG-GFCCVEGCSA-N -1 1 317.349 0.873 20 0 DCADMM O=C1O[C@H](C[N-]S(=O)(=O)c2ccns2)CN1C1CC1 ZINC000885281150 667659436 /nfs/dbraw/zinc/65/94/36/667659436.db2.gz SNMHJFDPUNQVSA-MRVPVSSYSA-N -1 1 303.365 0.405 20 0 DCADMM CCC[C@@H]1C[C@H]1C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000981909586 661245140 /nfs/dbraw/zinc/24/51/40/661245140.db2.gz OIFRZYPYNGYCCV-CHWSQXEVSA-N -1 1 321.425 0.579 20 0 DCADMM O=C(C[C@H]1C=CCC1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998490175 665466456 /nfs/dbraw/zinc/46/64/56/665466456.db2.gz QKIGMNZVROOEDI-NWDGAFQWSA-N -1 1 305.382 0.947 20 0 DCADMM CC(=O)N[C@@H]1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000939007332 665465213 /nfs/dbraw/zinc/46/52/13/665465213.db2.gz HBJSOBPIHBMWMC-LLVKDONJSA-N -1 1 306.366 0.965 20 0 DCADMM O=C([C@@H]1CC=CCC1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998517295 665471669 /nfs/dbraw/zinc/47/16/69/665471669.db2.gz IYGABDLMAQWVPY-NEPJUHHUSA-N -1 1 305.382 0.947 20 0 DCADMM O=C(CCc1ccncc1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000969163570 657516873 /nfs/dbraw/zinc/51/68/73/657516873.db2.gz CRLWEWRDGZINFH-GFCCVEGCSA-N -1 1 316.365 0.229 20 0 DCADMM CCCc1n[nH]cc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000969167078 657521123 /nfs/dbraw/zinc/52/11/23/657521123.db2.gz LJOYFCUDQWUZOV-SECBINFHSA-N -1 1 319.369 0.190 20 0 DCADMM CCN1C[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC1=O ZINC000891625764 657554670 /nfs/dbraw/zinc/55/46/70/657554670.db2.gz JKKZAPYDDVWSCJ-VIFPVBQESA-N -1 1 304.350 0.868 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CC[C@@H](CF)C3)ccnc1-2 ZINC000891028359 657613810 /nfs/dbraw/zinc/61/38/10/657613810.db2.gz ICBMMTFYLGFJKN-VIFPVBQESA-N -1 1 305.313 0.098 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CC[C@H](CF)C3)ccnc1-2 ZINC000891028349 657613988 /nfs/dbraw/zinc/61/39/88/657613988.db2.gz ICBMMTFYLGFJKN-SECBINFHSA-N -1 1 305.313 0.098 20 0 DCADMM Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)C2)nc1=O ZINC001031788844 665501376 /nfs/dbraw/zinc/50/13/76/665501376.db2.gz SSNQKMURYDHQSL-XQQFMLRXSA-N -1 1 319.409 0.093 20 0 DCADMM COC(=O)CCCO[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000811561653 657650977 /nfs/dbraw/zinc/65/09/77/657650977.db2.gz SXSJSZPNAXSBDT-SNVBAGLBSA-N -1 1 300.355 0.634 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001021353283 657660575 /nfs/dbraw/zinc/66/05/75/657660575.db2.gz XDPURSPFWGFABB-AZWZAMPBSA-N -1 1 305.382 0.778 20 0 DCADMM O=C(C1=COCCC1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998723692 665511702 /nfs/dbraw/zinc/51/17/02/665511702.db2.gz SKOBKXRIVNNEIV-NSHDSACASA-N -1 1 307.354 0.285 20 0 DCADMM CCn1ncc(CN2CC[C@@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001038194673 657802189 /nfs/dbraw/zinc/80/21/89/657802189.db2.gz QEONCTJUDRJOKV-GFCCVEGCSA-N -1 1 316.365 0.403 20 0 DCADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2csnn2)C1 ZINC000969546508 657962024 /nfs/dbraw/zinc/96/20/24/657962024.db2.gz JYOMFXNCFUCLHW-VIFPVBQESA-N -1 1 319.390 0.889 20 0 DCADMM CC(C)NC(=O)Nc1ccc(C(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000048397713 658046070 /nfs/dbraw/zinc/04/60/70/658046070.db2.gz KRXQLVPIHMCUOH-UHFFFAOYSA-N -1 1 319.321 0.413 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000971972779 658114058 /nfs/dbraw/zinc/11/40/58/658114058.db2.gz UBQUWWDPCAAFIW-XHBSWPGZSA-N -1 1 319.409 0.331 20 0 DCADMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000866861776 658121444 /nfs/dbraw/zinc/12/14/44/658121444.db2.gz VZZXJFHPAVWIRN-ALYYTTMHSA-N -1 1 310.441 0.752 20 0 DCADMM Cn1cnnc1CN[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000998995476 665559637 /nfs/dbraw/zinc/55/96/37/665559637.db2.gz KQWBDYLHYYOQHW-LLVKDONJSA-N -1 1 316.365 0.310 20 0 DCADMM Cn1[n-]c(CN2C[C@H](NC(=O)c3ccc[nH]3)C(C)(C)C2)nc1=O ZINC000972805929 658431887 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C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001576102243 1164241294 /nfs/dbraw/zinc/24/12/94/1164241294.db2.gz ZNHCTIRNFBSCNO-VGMNWLOBSA-N -1 1 318.337 0.574 20 0 DCADMM C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001576102243 1164241299 /nfs/dbraw/zinc/24/12/99/1164241299.db2.gz ZNHCTIRNFBSCNO-VGMNWLOBSA-N -1 1 318.337 0.574 20 0 DCADMM C/C=C(/C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576401520 1164324708 /nfs/dbraw/zinc/32/47/08/1164324708.db2.gz PIJKDVZVCQVYER-KMKOMSMNSA-N -1 1 314.353 0.272 20 0 DCADMM C/C=C(/C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576401520 1164324722 /nfs/dbraw/zinc/32/47/22/1164324722.db2.gz PIJKDVZVCQVYER-KMKOMSMNSA-N -1 1 314.353 0.272 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576401497 1164326306 /nfs/dbraw/zinc/32/63/06/1164326306.db2.gz OPRVCWXHEDWVPU-OTVCUZDGSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576401497 1164326311 /nfs/dbraw/zinc/32/63/11/1164326311.db2.gz OPRVCWXHEDWVPU-OTVCUZDGSA-N -1 1 314.353 0.318 20 0 DCADMM CCC(=O)N1C[C@@H](C)[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576407020 1164329581 /nfs/dbraw/zinc/32/95/81/1164329581.db2.gz LGSDHWQNTCKPLB-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)N1C[C@@H](C)[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576407020 1164329588 /nfs/dbraw/zinc/32/95/88/1164329588.db2.gz LGSDHWQNTCKPLB-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576415283 1164333691 /nfs/dbraw/zinc/33/36/91/1164333691.db2.gz OUPFQUKGXIXQPQ-AWEZNQCLSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576415283 1164333699 /nfs/dbraw/zinc/33/36/99/1164333699.db2.gz OUPFQUKGXIXQPQ-AWEZNQCLSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576415465 1164334034 /nfs/dbraw/zinc/33/40/34/1164334034.db2.gz UFCOKNFNLBWLQF-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576415465 1164334040 /nfs/dbraw/zinc/33/40/40/1164334040.db2.gz UFCOKNFNLBWLQF-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576415165 1164334572 /nfs/dbraw/zinc/33/45/72/1164334572.db2.gz LQCCCLWAYWJQTC-AWEZNQCLSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576415165 1164334579 /nfs/dbraw/zinc/33/45/79/1164334579.db2.gz LQCCCLWAYWJQTC-AWEZNQCLSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576420107 1164338402 /nfs/dbraw/zinc/33/84/02/1164338402.db2.gz HVYVMBOHZSGDTE-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576420107 1164338411 /nfs/dbraw/zinc/33/84/11/1164338411.db2.gz HVYVMBOHZSGDTE-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576437373 1164341601 /nfs/dbraw/zinc/34/16/01/1164341601.db2.gz CCIRJQZZIXKAGM-AWEZNQCLSA-N -1 1 316.369 0.460 20 0 DCADMM CCC(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001576437373 1164341609 /nfs/dbraw/zinc/34/16/09/1164341609.db2.gz CCIRJQZZIXKAGM-AWEZNQCLSA-N -1 1 316.369 0.460 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576441332 1164344745 /nfs/dbraw/zinc/34/47/45/1164344745.db2.gz YOBSEKVFVUEFJG-UWVGGRQHSA-N -1 1 316.369 0.185 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001576444159 1164348728 /nfs/dbraw/zinc/34/87/28/1164348728.db2.gz AVXGKQJUHKYESZ-VIFPVBQESA-N -1 1 316.369 0.324 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001576444159 1164348734 /nfs/dbraw/zinc/34/87/34/1164348734.db2.gz AVXGKQJUHKYESZ-VIFPVBQESA-N -1 1 316.369 0.324 20 0 DCADMM CCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001576472506 1164355193 /nfs/dbraw/zinc/35/51/93/1164355193.db2.gz XERJMLXJYOZLMH-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001576472506 1164355204 /nfs/dbraw/zinc/35/52/04/1164355204.db2.gz XERJMLXJYOZLMH-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001576477129 1164358468 /nfs/dbraw/zinc/35/84/68/1164358468.db2.gz FIWBMLWZPJDKBT-BBBLOLIVSA-N -1 1 314.353 0.293 20 0 DCADMM CCC(=O)NCCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001576485667 1164362306 /nfs/dbraw/zinc/36/23/06/1164362306.db2.gz CRXJRQLHHKPSJI-UHFFFAOYSA-N -1 1 309.399 0.984 20 0 DCADMM CC[C@](C)(O)CNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001576557832 1164391339 /nfs/dbraw/zinc/39/13/39/1164391339.db2.gz RIUCMYRRGGZSDP-ZDUSSCGKSA-N -1 1 321.341 0.553 20 0 DCADMM CC[C@H](C)C(=O)N(CC)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576561195 1164391845 /nfs/dbraw/zinc/39/18/45/1164391845.db2.gz DTQKUFWIYQXEOS-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)C(=O)N(CC)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576561195 1164391847 /nfs/dbraw/zinc/39/18/47/1164391847.db2.gz DTQKUFWIYQXEOS-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@](C)(O)CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001576557485 1164391929 /nfs/dbraw/zinc/39/19/29/1164391929.db2.gz PXRIEJCQAGMDOO-LBPRGKRZSA-N -1 1 310.383 0.888 20 0 DCADMM CC[C@@H](C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576563942 1164393060 /nfs/dbraw/zinc/39/30/60/1164393060.db2.gz OUNXFYVOQAHJRG-ZJUUUORDSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576563942 1164393066 /nfs/dbraw/zinc/39/30/66/1164393066.db2.gz OUNXFYVOQAHJRG-ZJUUUORDSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576577292 1164401876 /nfs/dbraw/zinc/40/18/76/1164401876.db2.gz WCQXDAKQXWESPE-ZJUUUORDSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576577292 1164401880 /nfs/dbraw/zinc/40/18/80/1164401880.db2.gz WCQXDAKQXWESPE-ZJUUUORDSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576589940 1164406939 /nfs/dbraw/zinc/40/69/39/1164406939.db2.gz QDYKMOHCOVAODD-SCZZXKLOSA-N -1 1 318.385 0.928 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576589940 1164406941 /nfs/dbraw/zinc/40/69/41/1164406941.db2.gz QDYKMOHCOVAODD-SCZZXKLOSA-N -1 1 318.385 0.928 20 0 DCADMM CC[C@@H](C)CC[C@H](O)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001576652482 1164423407 /nfs/dbraw/zinc/42/34/07/1164423407.db2.gz SMINOIAPJVBQOD-BDAKNGLRSA-N -1 1 307.358 0.863 20 0 DCADMM CC[C@@H](C)NC(=O)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001576654551 1164424255 /nfs/dbraw/zinc/42/42/55/1164424255.db2.gz IHGZIVSQPUXEPO-SECBINFHSA-N -1 1 316.365 0.432 20 0 DCADMM CC[C@@H](CNC(=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576766737 1164455127 /nfs/dbraw/zinc/45/51/27/1164455127.db2.gz NIJFWTVRZKFXIP-VIFPVBQESA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](CC)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576777441 1164462172 /nfs/dbraw/zinc/46/21/72/1164462172.db2.gz NWUJYDPDKIWVSL-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](CC)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576777441 1164462175 /nfs/dbraw/zinc/46/21/75/1164462175.db2.gz NWUJYDPDKIWVSL-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1nccnc1-c1nnn[n-]1 ZINC001576845706 1164492367 /nfs/dbraw/zinc/49/23/67/1164492367.db2.gz IGDDHNJQJQRTPH-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1nccnc1-c1nn[n-]n1 ZINC001576845706 1164492378 /nfs/dbraw/zinc/49/23/78/1164492378.db2.gz IGDDHNJQJQRTPH-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM COC(=O)[C@@H](Cc1c[nH]nn1)NC(=O)c1cc(Cl)ccc1O ZINC001576912980 1164530303 /nfs/dbraw/zinc/53/03/03/1164530303.db2.gz JVHWCDXEQTYVAM-SNVBAGLBSA-N -1 1 324.724 0.678 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576926610 1164536995 /nfs/dbraw/zinc/53/69/95/1164536995.db2.gz SECIPBNXFRGYKS-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576926610 1164536998 /nfs/dbraw/zinc/53/69/98/1164536998.db2.gz SECIPBNXFRGYKS-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001576953452 1164552195 /nfs/dbraw/zinc/55/21/95/1164552195.db2.gz GOPGITKNJKBCIR-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001576953452 1164552199 /nfs/dbraw/zinc/55/21/99/1164552199.db2.gz GOPGITKNJKBCIR-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576957479 1164557820 /nfs/dbraw/zinc/55/78/20/1164557820.db2.gz TUSFRVOTXVAERN-RKDXNWHRSA-N -1 1 322.348 0.569 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576957479 1164557824 /nfs/dbraw/zinc/55/78/24/1164557824.db2.gz TUSFRVOTXVAERN-RKDXNWHRSA-N -1 1 322.348 0.569 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576966544 1164562437 /nfs/dbraw/zinc/56/24/37/1164562437.db2.gz UXRQKTUFUMVHHC-RKDXNWHRSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576966544 1164562445 /nfs/dbraw/zinc/56/24/45/1164562445.db2.gz UXRQKTUFUMVHHC-RKDXNWHRSA-N -1 1 320.332 0.100 20 0 DCADMM CCCC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001577191430 1164629673 /nfs/dbraw/zinc/62/96/73/1164629673.db2.gz VXXFIMMVFZEJPB-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001577191430 1164629678 /nfs/dbraw/zinc/62/96/78/1164629678.db2.gz VXXFIMMVFZEJPB-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577189998 1164629913 /nfs/dbraw/zinc/62/99/13/1164629913.db2.gz AVIHUCHEDKMEFO-SNVBAGLBSA-N -1 1 316.369 0.139 20 0 DCADMM CCCC(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577216025 1164637788 /nfs/dbraw/zinc/63/77/88/1164637788.db2.gz LMIKIJTZTSSLCX-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577216025 1164637793 /nfs/dbraw/zinc/63/77/93/1164637793.db2.gz LMIKIJTZTSSLCX-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001577219001 1164639978 /nfs/dbraw/zinc/63/99/78/1164639978.db2.gz SFAKZCUTTMVYKA-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001577219001 1164639982 /nfs/dbraw/zinc/63/99/82/1164639982.db2.gz SFAKZCUTTMVYKA-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577417985 1164688215 /nfs/dbraw/zinc/68/82/15/1164688215.db2.gz YUAHEYNTTDPLLO-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3c[nH]nn3)[C@H]2C)c1[O-] ZINC001577518204 1164711406 /nfs/dbraw/zinc/71/14/06/1164711406.db2.gz BPINYOHGKBYMTN-GXSJLCMTSA-N -1 1 319.369 0.325 20 0 DCADMM CCCN(C(C)=O)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577547345 1164722130 /nfs/dbraw/zinc/72/21/30/1164722130.db2.gz JPDWBZDYFFGQSO-NSHDSACASA-N -1 1 316.369 0.494 20 0 DCADMM CCCN(C(C)=O)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577547345 1164722138 /nfs/dbraw/zinc/72/21/38/1164722138.db2.gz JPDWBZDYFFGQSO-NSHDSACASA-N -1 1 316.369 0.494 20 0 DCADMM CCN(CC(N)=O)C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001577874250 1164821038 /nfs/dbraw/zinc/82/10/38/1164821038.db2.gz NHAYQFSEJFRSOC-UHFFFAOYSA-N -1 1 313.321 0.295 20 0 DCADMM CCN(CCNC(=O)C(C)(C)C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577919838 1164841366 /nfs/dbraw/zinc/84/13/66/1164841366.db2.gz QOFFTTUOPKTIAG-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCNC(=O)C(C)(C)C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577919838 1164841373 /nfs/dbraw/zinc/84/13/73/1164841373.db2.gz QOFFTTUOPKTIAG-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@H]1C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577941480 1164853652 /nfs/dbraw/zinc/85/36/52/1164853652.db2.gz MQCJLOCLSDUMLH-ZJUUUORDSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@H]1C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577941480 1164853659 /nfs/dbraw/zinc/85/36/59/1164853659.db2.gz MQCJLOCLSDUMLH-ZJUUUORDSA-N -1 1 316.369 0.255 20 0 DCADMM O=C(N[C@H]1CCCN(Cc2cn[nH]n2)C1)c1ncccc1[O-] ZINC001578020470 1164898851 /nfs/dbraw/zinc/89/88/51/1164898851.db2.gz PWIJCFFZCCQAFA-JTQLQIEISA-N -1 1 302.338 0.300 20 0 DCADMM CCN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)C1CCC1 ZINC001578131576 1164931066 /nfs/dbraw/zinc/93/10/66/1164931066.db2.gz RHGWKDOYVPNIOT-UHFFFAOYSA-N -1 1 316.369 0.139 20 0 DCADMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)CCCF ZINC001578141278 1164934774 /nfs/dbraw/zinc/93/47/74/1164934774.db2.gz LFSGSPBLPKDLBX-UHFFFAOYSA-N -1 1 322.348 0.667 20 0 DCADMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)CCCF ZINC001578141278 1164934779 /nfs/dbraw/zinc/93/47/79/1164934779.db2.gz LFSGSPBLPKDLBX-UHFFFAOYSA-N -1 1 322.348 0.667 20 0 DCADMM CCOC(C)(C)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001578274983 1164966437 /nfs/dbraw/zinc/96/64/37/1164966437.db2.gz XPLSAWWVFYKFMK-UHFFFAOYSA-N -1 1 320.353 0.821 20 0 DCADMM CCOc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)[nH]n1 ZINC001578390510 1164995570 /nfs/dbraw/zinc/99/55/70/1164995570.db2.gz XDUNFIIGHVMJLI-UHFFFAOYSA-N -1 1 314.309 0.314 20 0 DCADMM CCOc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)[nH]n1 ZINC001578390510 1164995572 /nfs/dbraw/zinc/99/55/72/1164995572.db2.gz XDUNFIIGHVMJLI-UHFFFAOYSA-N -1 1 314.309 0.314 20 0 DCADMM CCc1cc(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)n[nH]1 ZINC001578513985 1165036871 /nfs/dbraw/zinc/03/68/71/1165036871.db2.gz JWLLUAKKWKQDTA-UHFFFAOYSA-N -1 1 314.309 0.808 20 0 DCADMM CCn1cc(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001578757740 1165097192 /nfs/dbraw/zinc/09/71/92/1165097192.db2.gz SCUAVAXOGCVURH-UHFFFAOYSA-N -1 1 318.366 0.399 20 0 DCADMM CCn1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(C(N)=O)n1 ZINC001578759747 1165097646 /nfs/dbraw/zinc/09/76/46/1165097646.db2.gz UUSGVXUUCBMNLC-UHFFFAOYSA-N -1 1 316.281 0.027 20 0 DCADMM CCn1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(C(N)=O)n1 ZINC001578759747 1165097649 /nfs/dbraw/zinc/09/76/49/1165097649.db2.gz UUSGVXUUCBMNLC-UHFFFAOYSA-N -1 1 316.281 0.027 20 0 DCADMM CN(C(=O)C1CC1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001578848694 1165140211 /nfs/dbraw/zinc/14/02/11/1165140211.db2.gz OWLYIIIZZHNTHQ-UHFFFAOYSA-N -1 1 318.406 0.981 20 0 DCADMM CN(C(=O)c1cnn(CCF)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578944404 1165165552 /nfs/dbraw/zinc/16/55/52/1165165552.db2.gz HKOQNSCHVPKTHE-UHFFFAOYSA-N -1 1 316.300 0.704 20 0 DCADMM CN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@@H]1CCCCNC1=O ZINC001578945635 1165165679 /nfs/dbraw/zinc/16/56/79/1165165679.db2.gz FBUANNVDBCCBOQ-SECBINFHSA-N -1 1 320.378 0.669 20 0 DCADMM CN(C)c1cccnc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001579000269 1165185866 /nfs/dbraw/zinc/18/58/66/1165185866.db2.gz SOSZIKQAFXKKRI-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(C)c1cccnc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001579000269 1165185868 /nfs/dbraw/zinc/18/58/68/1165185868.db2.gz SOSZIKQAFXKKRI-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(CCN(C)c1nccnc1-c1nnn[n-]1)C(=O)C1(C)CC1 ZINC001579158995 1165226385 /nfs/dbraw/zinc/22/63/85/1165226385.db2.gz RGNSFSHPUHZENC-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1nccnc1-c1nn[n-]n1)C(=O)C1(C)CC1 ZINC001579158995 1165226388 /nfs/dbraw/zinc/22/63/88/1165226388.db2.gz RGNSFSHPUHZENC-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCNC(=O)[C@H]1CC1(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC001579167481 1165228221 /nfs/dbraw/zinc/22/82/21/1165228221.db2.gz YJAWTQSNQQOUOW-SECBINFHSA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNC(=O)[C@H]1CC1(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC001579167481 1165228226 /nfs/dbraw/zinc/22/82/26/1165228226.db2.gz YJAWTQSNQQOUOW-SECBINFHSA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)CCC1CC1 ZINC001579219284 1165243498 /nfs/dbraw/zinc/24/34/98/1165243498.db2.gz UJAJAXONHZYRMJ-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)CCC1CC1 ZINC001579219284 1165243506 /nfs/dbraw/zinc/24/35/06/1165243506.db2.gz UJAJAXONHZYRMJ-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN1CC2(CN(C(=O)c3ccc(-c4nnn[n-]4)s3)C2)OC1=O ZINC001579322769 1165272485 /nfs/dbraw/zinc/27/24/85/1165272485.db2.gz GWZRDQUKXRMGEN-UHFFFAOYSA-N -1 1 320.334 0.205 20 0 DCADMM CN1CC2(CN(C(=O)c3ccc(-c4nn[n-]n4)s3)C2)OC1=O ZINC001579322769 1165272489 /nfs/dbraw/zinc/27/24/89/1165272489.db2.gz GWZRDQUKXRMGEN-UHFFFAOYSA-N -1 1 320.334 0.205 20 0 DCADMM COC(=O)C(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001579431650 1165307825 /nfs/dbraw/zinc/30/78/25/1165307825.db2.gz GGMMBDOBNXQPMA-UHFFFAOYSA-N -1 1 324.728 0.597 20 0 DCADMM COC(=O)N[C@@H](CC(C)C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001579466374 1165318017 /nfs/dbraw/zinc/31/80/17/1165318017.db2.gz QNIFTNFYTAKQLK-QMMMGPOBSA-N -1 1 322.329 0.056 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579466723 1165318405 /nfs/dbraw/zinc/31/84/05/1165318405.db2.gz KNSDFVGMPGHCCJ-BDAKNGLRSA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)c1coc(-c3nnn[n-]3)c1)C2 ZINC001579472816 1165322463 /nfs/dbraw/zinc/32/24/63/1165322463.db2.gz KIXAMOBHGDIQAY-ITMYJUKJSA-N -1 1 317.305 0.531 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)c1coc(-c3nn[n-]n3)c1)C2 ZINC001579472816 1165322469 /nfs/dbraw/zinc/32/24/69/1165322469.db2.gz KIXAMOBHGDIQAY-ITMYJUKJSA-N -1 1 317.305 0.531 20 0 DCADMM COC(=O)c1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c(C)o1 ZINC001579476316 1165325083 /nfs/dbraw/zinc/32/50/83/1165325083.db2.gz DIPKBVUUYNCTRF-UHFFFAOYSA-N -1 1 317.265 0.530 20 0 DCADMM COC(=O)c1ccc(N2Cc3c[nH]nc3C2)c(-c2nnn[n-]2)n1 ZINC001579483032 1165327781 /nfs/dbraw/zinc/32/77/81/1165327781.db2.gz VBOOKNZEAMBLPO-UHFFFAOYSA-N -1 1 312.293 0.292 20 0 DCADMM COC(=O)c1ccc(N2Cc3c[nH]nc3C2)c(-c2nn[n-]n2)n1 ZINC001579483032 1165327786 /nfs/dbraw/zinc/32/77/86/1165327786.db2.gz VBOOKNZEAMBLPO-UHFFFAOYSA-N -1 1 312.293 0.292 20 0 DCADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)o2)cn1 ZINC001579483523 1165327990 /nfs/dbraw/zinc/32/79/90/1165327990.db2.gz CHJKVXWQIAPZEP-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001579483523 1165328011 /nfs/dbraw/zinc/32/80/11/1165328011.db2.gz CHJKVXWQIAPZEP-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001579486281 1165329074 /nfs/dbraw/zinc/32/90/74/1165329074.db2.gz RJYOUUHZUWIBPF-UHFFFAOYSA-N -1 1 323.316 0.964 20 0 DCADMM COCC[C@@](C)(O)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579778154 1165392671 /nfs/dbraw/zinc/39/26/71/1165392671.db2.gz YZEILGQZPZCXRM-CYBMUJFWSA-N -1 1 321.341 0.171 20 0 DCADMM COCC[C@@](C)(O)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579778154 1165392679 /nfs/dbraw/zinc/39/26/79/1165392679.db2.gz YZEILGQZPZCXRM-CYBMUJFWSA-N -1 1 321.341 0.171 20 0 DCADMM CO[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001579848667 1165410187 /nfs/dbraw/zinc/41/01/87/1165410187.db2.gz LJJXVHSHQCUYIV-DGCLKSJQSA-N -1 1 316.365 0.878 20 0 DCADMM CO[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001579848667 1165410193 /nfs/dbraw/zinc/41/01/93/1165410193.db2.gz LJJXVHSHQCUYIV-DGCLKSJQSA-N -1 1 316.365 0.878 20 0 DCADMM COc1ccc(F)cc1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001580033796 1165479978 /nfs/dbraw/zinc/47/99/78/1165479978.db2.gz CLRMREPVJFGYBR-UHFFFAOYSA-N -1 1 315.312 0.881 20 0 DCADMM COc1ncc(NC(=O)N[C@H](C)C[C@@H](C)O)cc1-c1nn[n-]n1 ZINC001580135832 1165512921 /nfs/dbraw/zinc/51/29/21/1165512921.db2.gz CCPORBVZARYIOF-HTQZYQBOSA-N -1 1 321.341 0.551 20 0 DCADMM COc1ncc(NC(=O)NCC(C)(C)CO)cc1-c1nn[n-]n1 ZINC001580136607 1165516572 /nfs/dbraw/zinc/51/65/72/1165516572.db2.gz QVVARZQLVXYFQG-UHFFFAOYSA-N -1 1 321.341 0.410 20 0 DCADMM C[C@@H](CCNC(=O)C1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001580243594 1165545805 /nfs/dbraw/zinc/54/58/05/1165545805.db2.gz DGQLFQFYGMOAHB-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CC1(F)F ZINC001580427565 1165601843 /nfs/dbraw/zinc/60/18/43/1165601843.db2.gz OYLCDEWBKWVIEJ-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CC1(F)F ZINC001580427565 1165601848 /nfs/dbraw/zinc/60/18/48/1165601848.db2.gz OYLCDEWBKWVIEJ-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)Cc1ncc[nH]1 ZINC001580596323 1165649187 /nfs/dbraw/zinc/64/91/87/1165649187.db2.gz SIVIMBYCQGJVCE-UHFFFAOYSA-N -1 1 314.309 0.271 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCCC[C@@H]1CO ZINC001580596579 1165649365 /nfs/dbraw/zinc/64/93/65/1165649365.db2.gz BWKZMDYONLGUOC-SECBINFHSA-N -1 1 318.337 0.263 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@](C)(CO)C1CC1 ZINC001580601800 1165651547 /nfs/dbraw/zinc/65/15/47/1165651547.db2.gz YIEHQYHMXVVCPZ-AWEZNQCLSA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)C1(CO)CC1 ZINC001580600929 1165651674 /nfs/dbraw/zinc/65/16/74/1165651674.db2.gz RLCAUMFRXSMYKW-MRVPVSSYSA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@H](O)C[C@H](C)C1 ZINC001580599972 1165651828 /nfs/dbraw/zinc/65/18/28/1165651828.db2.gz IXPHIDREJUYPQD-IONNQARKSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCCOC1 ZINC001580607152 1165654408 /nfs/dbraw/zinc/65/44/08/1165654408.db2.gz RKRDWPWCLPZTDZ-MRVPVSSYSA-N -1 1 304.310 0.185 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCC(C)(C)O ZINC001580606197 1165654434 /nfs/dbraw/zinc/65/44/34/1165654434.db2.gz SEUHQUJJXGBPGB-UHFFFAOYSA-N -1 1 306.326 0.167 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC2(CNC(=O)C(C)C)CC2)n1 ZINC001580701411 1165690663 /nfs/dbraw/zinc/69/06/63/1165690663.db2.gz LODHRLCDEJPNFY-UHFFFAOYSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC2(CNC(=O)C(C)C)CC2)n1 ZINC001580701411 1165690667 /nfs/dbraw/zinc/69/06/67/1165690667.db2.gz LODHRLCDEJPNFY-UHFFFAOYSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1[nH]nc(NC(=O)C2=C[S@@](=O)CCC2)c1-c1nn[n-]n1 ZINC001581402961 1165820730 /nfs/dbraw/zinc/82/07/30/1165820730.db2.gz RVXVFBDMRVCEPN-NRFANRHFSA-N -1 1 307.339 0.263 20 0 DCADMM Cc1[nH]nc(NC(=O)Cc2cnn3ccccc23)c1-c1nn[n-]n1 ZINC001581402758 1165821372 /nfs/dbraw/zinc/82/13/72/1165821372.db2.gz JAUPOPZOJBPQQI-UHFFFAOYSA-N -1 1 323.320 0.727 20 0 DCADMM Cc1c[nH]c(CNc2cc(-c3nnn[n-]3)nc(C)n2)c(C)c1=O ZINC001581526283 1165839731 /nfs/dbraw/zinc/83/97/31/1165839731.db2.gz PTBTVWFYSZMGHA-UHFFFAOYSA-N -1 1 312.337 0.882 20 0 DCADMM Cc1c[nH]c(CNc2cc(-c3nn[n-]n3)nc(C)n2)c(C)c1=O ZINC001581526283 1165839737 /nfs/dbraw/zinc/83/97/37/1165839737.db2.gz PTBTVWFYSZMGHA-UHFFFAOYSA-N -1 1 312.337 0.882 20 0 DCADMM Cc1nn(-c2ccccc2)c(CS(C)(=O)=O)c1-c1nn[n-]n1 ZINC001581588035 1165847043 /nfs/dbraw/zinc/84/70/43/1165847043.db2.gz KMZMBRICFSFSDD-UHFFFAOYSA-N -1 1 318.362 0.905 20 0 DCADMM Cc1noc(C)c1[C@@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001581631235 1165853013 /nfs/dbraw/zinc/85/30/13/1165853013.db2.gz UHMBZXWEFVUZML-ZCFIWIBFSA-N -1 1 316.325 0.947 20 0 DCADMM Cc1noc(C)c1[C@@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001581631235 1165853019 /nfs/dbraw/zinc/85/30/19/1165853019.db2.gz UHMBZXWEFVUZML-ZCFIWIBFSA-N -1 1 316.325 0.947 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[C@H]([S@@](C)=O)C1 ZINC001581726977 1165861266 /nfs/dbraw/zinc/86/12/66/1165861266.db2.gz CWRGBVMDXHYSNL-QURMUULBSA-N -1 1 323.378 0.798 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[C@H]([S@@](C)=O)C1 ZINC001581726977 1165861275 /nfs/dbraw/zinc/86/12/75/1165861275.db2.gz CWRGBVMDXHYSNL-QURMUULBSA-N -1 1 323.378 0.798 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nc2n(n1)CCCC2 ZINC001581726911 1165862467 /nfs/dbraw/zinc/86/24/67/1165862467.db2.gz ABJRZBPYCVEQFZ-UHFFFAOYSA-N -1 1 314.309 0.948 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nc2n(n1)CCCC2 ZINC001581726911 1165862473 /nfs/dbraw/zinc/86/24/73/1165862473.db2.gz ABJRZBPYCVEQFZ-UHFFFAOYSA-N -1 1 314.309 0.948 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)c1-c1nnn[n-]1 ZINC001581738879 1165864731 /nfs/dbraw/zinc/86/47/31/1165864731.db2.gz FOCJTDKZOUANFR-XKSSXDPKSA-N -1 1 320.353 0.635 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)c1-c1nn[n-]n1 ZINC001581738879 1165864735 /nfs/dbraw/zinc/86/47/35/1165864735.db2.gz FOCJTDKZOUANFR-XKSSXDPKSA-N -1 1 320.353 0.635 20 0 DCADMM NC(=O)[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001581887875 1165905164 /nfs/dbraw/zinc/90/51/64/1165905164.db2.gz SCQHBEVIFMXXLF-LLVKDONJSA-N -1 1 314.284 0.434 20 0 DCADMM NC(=O)[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001581887875 1165905170 /nfs/dbraw/zinc/90/51/70/1165905170.db2.gz SCQHBEVIFMXXLF-LLVKDONJSA-N -1 1 314.284 0.434 20 0 DCADMM NC(=O)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)s1 ZINC001581908169 1165909604 /nfs/dbraw/zinc/90/96/04/1165909604.db2.gz VELQFQGURYOIBE-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM NC(=O)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)s1 ZINC001581908169 1165909613 /nfs/dbraw/zinc/90/96/13/1165909613.db2.gz VELQFQGURYOIBE-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM O=C(C1CCC1)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001581934377 1165917038 /nfs/dbraw/zinc/91/70/38/1165917038.db2.gz YJXGJQBSWPWEJI-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(CN1Cc2ccccc2C1=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582107565 1165958004 /nfs/dbraw/zinc/95/80/04/1165958004.db2.gz UWXHOSMNJGJSDQ-UHFFFAOYSA-N -1 1 324.304 0.184 20 0 DCADMM O=C(CN1Cc2ccccc2C1=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582107565 1165958006 /nfs/dbraw/zinc/95/80/06/1165958006.db2.gz UWXHOSMNJGJSDQ-UHFFFAOYSA-N -1 1 324.304 0.184 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1ccc(-c2nnn[n-]2)s1 ZINC001582232610 1165987808 /nfs/dbraw/zinc/98/78/08/1165987808.db2.gz OBDLGLKEXGVWNW-SECBINFHSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1ccc(-c2nn[n-]n2)s1 ZINC001582232610 1165987810 /nfs/dbraw/zinc/98/78/10/1165987810.db2.gz OBDLGLKEXGVWNW-SECBINFHSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@H]1CCC2(C1)OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC001582277203 1165995920 /nfs/dbraw/zinc/99/59/20/1165995920.db2.gz SHZSCMQLSSFBPQ-QMMMGPOBSA-N -1 1 321.362 0.954 20 0 DCADMM O=C(N[C@H]1CCC2(C1)OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC001582277203 1165995926 /nfs/dbraw/zinc/99/59/26/1165995926.db2.gz SHZSCMQLSSFBPQ-QMMMGPOBSA-N -1 1 321.362 0.954 20 0 DCADMM O=C(NC[C@@H](O)c1cncs1)c1ccsc1-c1nnn[n-]1 ZINC001582380928 1166008083 /nfs/dbraw/zinc/00/80/83/1166008083.db2.gz GNHZVQGIJCJLAT-SSDOTTSWSA-N -1 1 322.375 0.848 20 0 DCADMM O=C(NC[C@@H](O)c1cncs1)c1ccsc1-c1nn[n-]n1 ZINC001582380928 1166008089 /nfs/dbraw/zinc/00/80/89/1166008089.db2.gz GNHZVQGIJCJLAT-SSDOTTSWSA-N -1 1 322.375 0.848 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCO[C@H]1C1CC1 ZINC001582558771 1166044016 /nfs/dbraw/zinc/04/40/16/1166044016.db2.gz IKKZZBUVUIEPRM-KCJUWKMLSA-N -1 1 320.378 0.755 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCO[C@H]1C1CC1 ZINC001582558771 1166044023 /nfs/dbraw/zinc/04/40/23/1166044023.db2.gz IKKZZBUVUIEPRM-KCJUWKMLSA-N -1 1 320.378 0.755 20 0 DCADMM O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1coc(-c2nnn[n-]2)c1 ZINC001582564343 1166046262 /nfs/dbraw/zinc/04/62/62/1166046262.db2.gz KMESVHGICBJVTD-APPZFPTMSA-N -1 1 313.264 0.738 20 0 DCADMM O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1coc(-c2nn[n-]n2)c1 ZINC001582564343 1166046267 /nfs/dbraw/zinc/04/62/67/1166046267.db2.gz KMESVHGICBJVTD-APPZFPTMSA-N -1 1 313.264 0.738 20 0 DCADMM O[C@H](CNc1cc(-c2nnn[n-]2)ncn1)Cc1ccccc1F ZINC001582810040 1166089092 /nfs/dbraw/zinc/08/90/92/1166089092.db2.gz WHGQKLRDDYUFHR-JTQLQIEISA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1cc(-c2nn[n-]n2)ncn1)Cc1ccccc1F ZINC001582810040 1166089099 /nfs/dbraw/zinc/08/90/99/1166089099.db2.gz WHGQKLRDDYUFHR-JTQLQIEISA-N -1 1 315.312 0.811 20 0 DCADMM CN1CC[C@@H](C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)C1=O ZINC001586308715 1166494114 /nfs/dbraw/zinc/49/41/14/1166494114.db2.gz LOTBKHNCGNLUNO-NSHDSACASA-N -1 1 316.321 0.196 20 0 DCADMM C[C@H](C(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001586804391 1166499280 /nfs/dbraw/zinc/49/92/80/1166499280.db2.gz FCXCNGABQZDALH-IUCAKERBSA-N -1 1 311.342 0.077 20 0 DCADMM C[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001586804389 1166500264 /nfs/dbraw/zinc/50/02/64/1166500264.db2.gz FCXCNGABQZDALH-BDAKNGLRSA-N -1 1 311.342 0.077 20 0 DCADMM CC(=O)C1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC001588784537 1166588967 /nfs/dbraw/zinc/58/89/67/1166588967.db2.gz BTZGPDWNFVXLDH-UHFFFAOYSA-N -1 1 318.337 0.533 20 0 DCADMM CC(=O)C1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC001588784537 1166588973 /nfs/dbraw/zinc/58/89/73/1166588973.db2.gz BTZGPDWNFVXLDH-UHFFFAOYSA-N -1 1 318.337 0.533 20 0 DCADMM CC(=O)CSCC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001588796897 1166589099 /nfs/dbraw/zinc/58/90/99/1166589099.db2.gz KBESRCZXIJPEDN-UHFFFAOYSA-N -1 1 309.355 0.169 20 0 DCADMM CC(=O)CSCC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001588796897 1166589102 /nfs/dbraw/zinc/58/91/02/1166589102.db2.gz KBESRCZXIJPEDN-UHFFFAOYSA-N -1 1 309.355 0.169 20 0 DCADMM CC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588818190 1166597288 /nfs/dbraw/zinc/59/72/88/1166597288.db2.gz CQDDGUKQJFIWHO-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCN(C(=O)c2ccsc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588822562 1166599900 /nfs/dbraw/zinc/59/99/00/1166599900.db2.gz FIPOJAXBMQOCGD-MRVPVSSYSA-N -1 1 320.378 0.621 20 0 DCADMM CC(=O)N1CCN(C(=O)c2ccsc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588822562 1166599905 /nfs/dbraw/zinc/59/99/05/1166599905.db2.gz FIPOJAXBMQOCGD-MRVPVSSYSA-N -1 1 320.378 0.621 20 0 DCADMM CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001588837711 1166603492 /nfs/dbraw/zinc/60/34/92/1166603492.db2.gz GOKVFSMZXYBYRK-JTQLQIEISA-N -1 1 304.358 0.041 20 0 DCADMM CC(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588839302 1166603971 /nfs/dbraw/zinc/60/39/71/1166603971.db2.gz BWTFICPLDYPVGT-VHSXEESVSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588839302 1166603975 /nfs/dbraw/zinc/60/39/75/1166603975.db2.gz BWTFICPLDYPVGT-VHSXEESVSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588840146 1166605936 /nfs/dbraw/zinc/60/59/36/1166605936.db2.gz MUYYHORVNCFBTM-VHSXEESVSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588840146 1166605945 /nfs/dbraw/zinc/60/59/45/1166605945.db2.gz MUYYHORVNCFBTM-VHSXEESVSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001588841682 1166606078 /nfs/dbraw/zinc/60/60/78/1166606078.db2.gz NDFBJUYUUDKPQN-WCBMZHEXSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588841682 1166606082 /nfs/dbraw/zinc/60/60/82/1166606082.db2.gz NDFBJUYUUDKPQN-WCBMZHEXSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001588841683 1166606865 /nfs/dbraw/zinc/60/68/65/1166606865.db2.gz NDFBJUYUUDKPQN-WPRPVWTQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588841683 1166606869 /nfs/dbraw/zinc/60/68/69/1166606869.db2.gz NDFBJUYUUDKPQN-WPRPVWTQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)NC[C@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001588854558 1166608058 /nfs/dbraw/zinc/60/80/58/1166608058.db2.gz HAINVHRGPDCBJH-SNVBAGLBSA-N -1 1 318.337 0.448 20 0 DCADMM CC(=O)NC[C@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001588854558 1166608065 /nfs/dbraw/zinc/60/80/65/1166608065.db2.gz HAINVHRGPDCBJH-SNVBAGLBSA-N -1 1 318.337 0.448 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588948607 1166622250 /nfs/dbraw/zinc/62/22/50/1166622250.db2.gz KQOOCXZZVVMSQR-XHNCKOQMSA-N -1 1 302.342 0.134 20 0 DCADMM C[C@@H](C(=O)N1OC2CCC1CC2)n1cnc(-c2nn[n-]n2)n1 ZINC001588965791 1166624149 /nfs/dbraw/zinc/62/41/49/1166624149.db2.gz LHLKLJCYLZNUNY-UEJVZZJDSA-N -1 1 304.314 0.104 20 0 DCADMM C[C@H](C(=O)N[C@@H]1C[C@@H]1c1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588972772 1166624647 /nfs/dbraw/zinc/62/46/47/1166624647.db2.gz MIYJYTVMIYPPBF-YUSALJHKSA-N -1 1 324.348 0.692 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)n1cnc(-c2nn[n-]n2)n1 ZINC001588973210 1166625275 /nfs/dbraw/zinc/62/52/75/1166625275.db2.gz POKOQEZCRXWBDU-QCLAVDOMSA-N -1 1 302.342 0.324 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1F)n1cnc(-c2nn[n-]n2)n1 ZINC001589003152 1166625934 /nfs/dbraw/zinc/62/59/34/1166625934.db2.gz QFBPDUYNGCHYLF-DJLDLDEBSA-N -1 1 308.321 0.416 20 0 DCADMM C[C@H](C(=O)Nc1cncc(F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589021041 1166628641 /nfs/dbraw/zinc/62/86/41/1166628641.db2.gz MYEBTDWQPLBXDC-ZCFIWIBFSA-N -1 1 303.261 0.192 20 0 DCADMM CC(C)(C)CCNC(=O)Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001589127542 1166635712 /nfs/dbraw/zinc/63/57/12/1166635712.db2.gz XGFQNYIPBKQJRB-UHFFFAOYSA-N -1 1 316.369 0.868 20 0 DCADMM CC(C)(C)NC(=O)[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001589139565 1166636838 /nfs/dbraw/zinc/63/68/38/1166636838.db2.gz WRVKPOGCVZWJBC-SNVBAGLBSA-N -1 1 316.369 0.540 20 0 DCADMM CC(C)(C)NC(=O)[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001589139565 1166636840 /nfs/dbraw/zinc/63/68/40/1166636840.db2.gz WRVKPOGCVZWJBC-SNVBAGLBSA-N -1 1 316.369 0.540 20 0 DCADMM CC(C)(C)NC(=O)[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001589139564 1166637886 /nfs/dbraw/zinc/63/78/86/1166637886.db2.gz WRVKPOGCVZWJBC-JTQLQIEISA-N -1 1 316.369 0.540 20 0 DCADMM CC(C)(C)NC(=O)[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001589139564 1166637888 /nfs/dbraw/zinc/63/78/88/1166637888.db2.gz WRVKPOGCVZWJBC-JTQLQIEISA-N -1 1 316.369 0.540 20 0 DCADMM CC(C)(C)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001589134258 1166638570 /nfs/dbraw/zinc/63/85/70/1166638570.db2.gz LWDUOFHONPVUIA-SECBINFHSA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)(C)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001589134258 1166638572 /nfs/dbraw/zinc/63/85/72/1166638572.db2.gz LWDUOFHONPVUIA-SECBINFHSA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)(CNc1cc(-c2nnn[n-]2)ncn1)[C@]1(O)CCCOC1 ZINC001589287733 1166644974 /nfs/dbraw/zinc/64/49/74/1166644974.db2.gz DSIFGJHFJJBRSS-AWEZNQCLSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)(CNc1cc(-c2nn[n-]n2)ncn1)[C@]1(O)CCCOC1 ZINC001589287733 1166644981 /nfs/dbraw/zinc/64/49/81/1166644981.db2.gz DSIFGJHFJJBRSS-AWEZNQCLSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)n1)[C@]1(O)CCCOC1 ZINC001589292977 1166645678 /nfs/dbraw/zinc/64/56/78/1166645678.db2.gz LSZKAFRGCGAWOS-AWEZNQCLSA-N -1 1 319.369 0.058 20 0 DCADMM CC(C)=CC(=O)NC/C=C\CNc1ccnc(-c2nn[n-]n2)n1 ZINC001589368044 1166652073 /nfs/dbraw/zinc/65/20/73/1166652073.db2.gz QLAVGDUHTWYSPC-ARJAWSKDSA-N -1 1 314.353 0.129 20 0 DCADMM CC(C)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589395790 1166653698 /nfs/dbraw/zinc/65/36/98/1166653698.db2.gz YNQVVEFXRSJHKE-VIFPVBQESA-N -1 1 302.342 0.326 20 0 DCADMM CC(C)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589395790 1166653706 /nfs/dbraw/zinc/65/37/06/1166653706.db2.gz YNQVVEFXRSJHKE-VIFPVBQESA-N -1 1 302.342 0.326 20 0 DCADMM CC(C)C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589403431 1166654736 /nfs/dbraw/zinc/65/47/36/1166654736.db2.gz GPVSARWBMVOBQC-ONEGZZNKSA-N -1 1 302.342 0.397 20 0 DCADMM CC(C)C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589403431 1166654738 /nfs/dbraw/zinc/65/47/38/1166654738.db2.gz GPVSARWBMVOBQC-ONEGZZNKSA-N -1 1 302.342 0.397 20 0 DCADMM CC(C)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001589405074 1166657246 /nfs/dbraw/zinc/65/72/46/1166657246.db2.gz WVJJLNRINDKLSO-VIFPVBQESA-N -1 1 304.358 0.254 20 0 DCADMM CC(C)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001589405074 1166657248 /nfs/dbraw/zinc/65/72/48/1166657248.db2.gz WVJJLNRINDKLSO-VIFPVBQESA-N -1 1 304.358 0.254 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589411173 1166657340 /nfs/dbraw/zinc/65/73/40/1166657340.db2.gz GKXAPRYOIHSWAS-SECBINFHSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589411173 1166657343 /nfs/dbraw/zinc/65/73/43/1166657343.db2.gz GKXAPRYOIHSWAS-SECBINFHSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)[C@@H](F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001589460817 1166658839 /nfs/dbraw/zinc/65/88/39/1166658839.db2.gz BNFKUOXTDQFLIC-SNVBAGLBSA-N -1 1 324.364 0.557 20 0 DCADMM CC(C)[C@@H](F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001589460817 1166658843 /nfs/dbraw/zinc/65/88/43/1166658843.db2.gz BNFKUOXTDQFLIC-SNVBAGLBSA-N -1 1 324.364 0.557 20 0 DCADMM CC(C)[C@@]1(C)C[C@H]1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589492010 1166662507 /nfs/dbraw/zinc/66/25/07/1166662507.db2.gz ZQJWRSMDLTYFSU-NOZJJQNGSA-N -1 1 319.373 0.192 20 0 DCADMM CC(C)CCCC(=O)NCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001589590803 1166667433 /nfs/dbraw/zinc/66/74/33/1166667433.db2.gz LJEFSBLTKMCLAS-UHFFFAOYSA-N -1 1 318.385 0.433 20 0 DCADMM CC(C)C[C@@H]1C(=O)NCCN1Cc1cccc(-c2nn[n-]n2)n1 ZINC001589570117 1166667714 /nfs/dbraw/zinc/66/77/14/1166667714.db2.gz AFAUZVDMPAMDDI-CYBMUJFWSA-N -1 1 315.381 0.608 20 0 DCADMM CC(C)C[C@H](O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589563273 1166667860 /nfs/dbraw/zinc/66/78/60/1166667860.db2.gz XIRAUVYVMLTHHL-NSHDSACASA-N -1 1 304.354 0.327 20 0 DCADMM CC(C)C[C@H](O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589563273 1166667862 /nfs/dbraw/zinc/66/78/62/1166667862.db2.gz XIRAUVYVMLTHHL-NSHDSACASA-N -1 1 304.354 0.327 20 0 DCADMM CC(C)NC(=O)[C@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589719654 1166677084 /nfs/dbraw/zinc/67/70/84/1166677084.db2.gz COOJAESJYHIBLU-ZETCQYMHSA-N -1 1 308.367 0.571 20 0 DCADMM CC(C)NC(=O)[C@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589719654 1166677090 /nfs/dbraw/zinc/67/70/90/1166677090.db2.gz COOJAESJYHIBLU-ZETCQYMHSA-N -1 1 308.367 0.571 20 0 DCADMM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589730655 1166679378 /nfs/dbraw/zinc/67/93/78/1166679378.db2.gz LNVUBHVRUOIFAB-MRVPVSSYSA-N -1 1 307.310 0.872 20 0 DCADMM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589730655 1166679382 /nfs/dbraw/zinc/67/93/82/1166679382.db2.gz LNVUBHVRUOIFAB-MRVPVSSYSA-N -1 1 307.310 0.872 20 0 DCADMM CC(C)OC[C@H](CO)N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589746000 1166681158 /nfs/dbraw/zinc/68/11/58/1166681158.db2.gz JSHCNIAUCMACOI-JTQLQIEISA-N -1 1 320.353 0.120 20 0 DCADMM CC(C)OC[C@H](CO)N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589746000 1166681161 /nfs/dbraw/zinc/68/11/61/1166681161.db2.gz JSHCNIAUCMACOI-JTQLQIEISA-N -1 1 320.353 0.120 20 0 DCADMM CC(C)[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001589763804 1166683469 /nfs/dbraw/zinc/68/34/69/1166683469.db2.gz AGYSVIPWPGHOCO-NSHDSACASA-N -1 1 304.354 0.787 20 0 DCADMM CC(C)[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)(C)O ZINC001589763804 1166683472 /nfs/dbraw/zinc/68/34/72/1166683472.db2.gz AGYSVIPWPGHOCO-NSHDSACASA-N -1 1 304.354 0.787 20 0 DCADMM CC(C)n1cnnc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589784862 1166685217 /nfs/dbraw/zinc/68/52/17/1166685217.db2.gz OIFZGAKSAGBINK-UHFFFAOYSA-N -1 1 302.298 0.562 20 0 DCADMM CC(C)n1cnnc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589784862 1166685220 /nfs/dbraw/zinc/68/52/20/1166685220.db2.gz OIFZGAKSAGBINK-UHFFFAOYSA-N -1 1 302.298 0.562 20 0 DCADMM CC(C)n1cc(CNCc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001589781855 1166685819 /nfs/dbraw/zinc/68/58/19/1166685819.db2.gz ICWNUPNGGHFDMD-UHFFFAOYSA-N -1 1 305.371 0.785 20 0 DCADMM CC(C)n1cc(CNCc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001589781855 1166685825 /nfs/dbraw/zinc/68/58/25/1166685825.db2.gz ICWNUPNGGHFDMD-UHFFFAOYSA-N -1 1 305.371 0.785 20 0 DCADMM CC(C)c1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(=O)[nH]1 ZINC001589768053 1166686096 /nfs/dbraw/zinc/68/60/96/1166686096.db2.gz HBWFEPPPMSLLRP-UHFFFAOYSA-N -1 1 314.309 0.558 20 0 DCADMM C[C@@H](CCNC(=O)C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589822896 1166692590 /nfs/dbraw/zinc/69/25/90/1166692590.db2.gz UXQAVHOXIHUUGI-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CCNC(=O)C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589822896 1166692598 /nfs/dbraw/zinc/69/25/98/1166692598.db2.gz UXQAVHOXIHUUGI-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](COCC1CC1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589886199 1166708612 /nfs/dbraw/zinc/70/86/12/1166708612.db2.gz RZSLTQCGQUQTGB-VIFPVBQESA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](COCC1CC1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589886199 1166708616 /nfs/dbraw/zinc/70/86/16/1166708616.db2.gz RZSLTQCGQUQTGB-VIFPVBQESA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](CO)C1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001589887606 1166709010 /nfs/dbraw/zinc/70/90/10/1166709010.db2.gz UJSUMTALHPMXHH-VIFPVBQESA-N -1 1 305.338 0.940 20 0 DCADMM C[C@@H](CO)C1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001589887606 1166709017 /nfs/dbraw/zinc/70/90/17/1166709017.db2.gz UJSUMTALHPMXHH-VIFPVBQESA-N -1 1 305.338 0.940 20 0 DCADMM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001589915583 1166717543 /nfs/dbraw/zinc/71/75/43/1166717543.db2.gz LEJFLCIKYNECJZ-QMMMGPOBSA-N -1 1 315.337 0.505 20 0 DCADMM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001589915583 1166717547 /nfs/dbraw/zinc/71/75/47/1166717547.db2.gz LEJFLCIKYNECJZ-QMMMGPOBSA-N -1 1 315.337 0.505 20 0 DCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589924633 1166721410 /nfs/dbraw/zinc/72/14/10/1166721410.db2.gz MYZDIHVPAGCCAC-SSDOTTSWSA-N -1 1 318.341 0.223 20 0 DCADMM C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589924633 1166721415 /nfs/dbraw/zinc/72/14/15/1166721415.db2.gz MYZDIHVPAGCCAC-SSDOTTSWSA-N -1 1 318.341 0.223 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1nccc(N)n1 ZINC001589944444 1166725715 /nfs/dbraw/zinc/72/57/15/1166725715.db2.gz JPZFTHBZYQQBHD-LURJTMIESA-N -1 1 300.282 0.323 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1nccc(N)n1 ZINC001589944444 1166725724 /nfs/dbraw/zinc/72/57/24/1166725724.db2.gz JPZFTHBZYQQBHD-LURJTMIESA-N -1 1 300.282 0.323 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H](O)C(F)(F)F ZINC001589944340 1166726415 /nfs/dbraw/zinc/72/64/15/1166726415.db2.gz FIOIRLMQPGKGPT-MHTLYPKNSA-N -1 1 321.284 0.970 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H](O)C(F)(F)F ZINC001589944340 1166726420 /nfs/dbraw/zinc/72/64/20/1166726420.db2.gz FIOIRLMQPGKGPT-MHTLYPKNSA-N -1 1 321.284 0.970 20 0 DCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](O)Cc1ccccc1 ZINC001589986071 1166735802 /nfs/dbraw/zinc/73/58/02/1166735802.db2.gz WECFOASQNBEVFU-ZYHUDNBSSA-N -1 1 311.349 0.483 20 0 DCADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)C(=O)NCC(F)(F)F ZINC001589980656 1166736287 /nfs/dbraw/zinc/73/62/87/1166736287.db2.gz OJDIOOBUVLQCJW-RXMQYKEDSA-N -1 1 316.247 0.136 20 0 DCADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)C(=O)NCC(F)(F)F ZINC001589980656 1166736291 /nfs/dbraw/zinc/73/62/91/1166736291.db2.gz OJDIOOBUVLQCJW-RXMQYKEDSA-N -1 1 316.247 0.136 20 0 DCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1(S(C)(=O)=O)CC1 ZINC001589981978 1166736318 /nfs/dbraw/zinc/73/63/18/1166736318.db2.gz DLKGPWZPDHHBDH-SSDOTTSWSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1(S(C)(=O)=O)CC1 ZINC001589981978 1166736322 /nfs/dbraw/zinc/73/63/22/1166736322.db2.gz DLKGPWZPDHHBDH-SSDOTTSWSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)NCCF ZINC001589989804 1166737828 /nfs/dbraw/zinc/73/78/28/1166737828.db2.gz DLZXDWLHGGIIIJ-BYPYZUCNSA-N -1 1 319.753 0.863 20 0 DCADMM C[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)NCCF ZINC001589989804 1166737832 /nfs/dbraw/zinc/73/78/32/1166737832.db2.gz DLZXDWLHGGIIIJ-BYPYZUCNSA-N -1 1 319.753 0.863 20 0 DCADMM C[C@H](O)[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC001589995135 1166740702 /nfs/dbraw/zinc/74/07/02/1166740702.db2.gz KTRCCWUVAGDBAR-IONNQARKSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@H](O)[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC001589995135 1166740707 /nfs/dbraw/zinc/74/07/07/1166740707.db2.gz KTRCCWUVAGDBAR-IONNQARKSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@H](O)[C@@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001589996107 1166743537 /nfs/dbraw/zinc/74/35/37/1166743537.db2.gz PWNNFCPYKPZHHC-DTWKUNHWSA-N -1 1 305.313 0.849 20 0 DCADMM C[C@H](O)[C@@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001589996107 1166743544 /nfs/dbraw/zinc/74/35/44/1166743544.db2.gz PWNNFCPYKPZHHC-DTWKUNHWSA-N -1 1 305.313 0.849 20 0 DCADMM C[C@@H](O)CCN(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589999089 1166746682 /nfs/dbraw/zinc/74/66/82/1166746682.db2.gz OWVDLVTUVSIBCC-SSDOTTSWSA-N -1 1 311.371 0.236 20 0 DCADMM C[C@@H](O)CCN(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589999089 1166746686 /nfs/dbraw/zinc/74/66/86/1166746686.db2.gz OWVDLVTUVSIBCC-SSDOTTSWSA-N -1 1 311.371 0.236 20 0 DCADMM C[C@H](OC(=O)c1csc(-c2nnn[n-]2)c1)[C@@H]1CCNC(=O)C1 ZINC001590014376 1166752659 /nfs/dbraw/zinc/75/26/59/1166752659.db2.gz NGLZRJQRUSAQHM-JGVFFNPUSA-N -1 1 321.362 1.000 20 0 DCADMM C[C@H](OC(=O)c1csc(-c2nn[n-]n2)c1)[C@@H]1CCNC(=O)C1 ZINC001590014376 1166752664 /nfs/dbraw/zinc/75/26/64/1166752664.db2.gz NGLZRJQRUSAQHM-JGVFFNPUSA-N -1 1 321.362 1.000 20 0 DCADMM C[C@H](c1nnc(-c2cccn2C)o1)n1cnc(-c2nn[n-]n2)n1 ZINC001590053855 1166761327 /nfs/dbraw/zinc/76/13/27/1166761327.db2.gz GGTVXHGNMJSPDE-SSDOTTSWSA-N -1 1 312.297 0.456 20 0 DCADMM CC1(C(=O)NCCCNc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001590067828 1166763248 /nfs/dbraw/zinc/76/32/48/1166763248.db2.gz MOLZHMDDWCEYEU-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC1(C(=O)NCCCNc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001590067828 1166763255 /nfs/dbraw/zinc/76/32/55/1166763255.db2.gz MOLZHMDDWCEYEU-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM C[C@]1(C(N)=O)CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590073200 1166765848 /nfs/dbraw/zinc/76/58/48/1166765848.db2.gz PJBZKHCUBOLISY-AWEZNQCLSA-N -1 1 318.312 0.343 20 0 DCADMM C[C@]1(C(N)=O)CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590073200 1166765854 /nfs/dbraw/zinc/76/58/54/1166765854.db2.gz PJBZKHCUBOLISY-AWEZNQCLSA-N -1 1 318.312 0.343 20 0 DCADMM CC1(C)[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001590077844 1166768612 /nfs/dbraw/zinc/76/86/12/1166768612.db2.gz PXRCSHCREZZRHZ-BDAKNGLRSA-N -1 1 303.326 0.543 20 0 DCADMM CC1(C)[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001590077844 1166768621 /nfs/dbraw/zinc/76/86/21/1166768621.db2.gz PXRCSHCREZZRHZ-BDAKNGLRSA-N -1 1 303.326 0.543 20 0 DCADMM C[C@@]1(O)CCCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590149950 1166789958 /nfs/dbraw/zinc/78/99/58/1166789958.db2.gz DINZYTWKQQWTKG-CQSZACIVSA-N -1 1 305.313 0.993 20 0 DCADMM C[C@@]1(O)CCCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590149950 1166789966 /nfs/dbraw/zinc/78/99/66/1166789966.db2.gz DINZYTWKQQWTKG-CQSZACIVSA-N -1 1 305.313 0.993 20 0 DCADMM CC1=CCCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590158993 1166793357 /nfs/dbraw/zinc/79/33/57/1166793357.db2.gz AFBVWIORTFYPHT-UHFFFAOYSA-N -1 1 306.351 0.602 20 0 DCADMM C[C@H]1C(=O)N(C)CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001590164980 1166797146 /nfs/dbraw/zinc/79/71/46/1166797146.db2.gz WFOBNMLSTZIATA-YFKPBYRVSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@H]1C(=O)N(C)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001590164980 1166797150 /nfs/dbraw/zinc/79/71/50/1166797150.db2.gz WFOBNMLSTZIATA-YFKPBYRVSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@H]1C[C@H](C)N1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590192690 1166807997 /nfs/dbraw/zinc/80/79/97/1166807997.db2.gz WNZKLZNLKDWOQS-YUMQZZPRSA-N -1 1 301.310 0.210 20 0 DCADMM C[C@H]1C[C@H](C)N1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590192690 1166808008 /nfs/dbraw/zinc/80/80/08/1166808008.db2.gz WNZKLZNLKDWOQS-YUMQZZPRSA-N -1 1 301.310 0.210 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)[C@@H](C)O1 ZINC001590202132 1166812291 /nfs/dbraw/zinc/81/22/91/1166812291.db2.gz WDKPSYIBIFHHOX-PRJMDXOYSA-N -1 1 323.382 0.688 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)[C@@H](C)O1 ZINC001590202132 1166812296 /nfs/dbraw/zinc/81/22/96/1166812296.db2.gz WDKPSYIBIFHHOX-PRJMDXOYSA-N -1 1 323.382 0.688 20 0 DCADMM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ncnn21 ZINC001590201892 1166813110 /nfs/dbraw/zinc/81/31/10/1166813110.db2.gz DYRNFSDETASYER-XVKPBYJWSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ncnn21 ZINC001590201892 1166813114 /nfs/dbraw/zinc/81/31/14/1166813114.db2.gz DYRNFSDETASYER-XVKPBYJWSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@@H]1C[C@]2(CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)O2)CO1 ZINC001590220954 1166816962 /nfs/dbraw/zinc/81/69/62/1166816962.db2.gz SPPISSLMQGYBEE-ISTVAULSSA-N -1 1 317.353 0.217 20 0 DCADMM C[C@@H]1C[C@@]2(CC[C@H](CNc3nccnc3-c3nnn[n-]3)O2)CO1 ZINC001590219486 1166818879 /nfs/dbraw/zinc/81/88/79/1166818879.db2.gz LLJWEPNQBUDZRO-RULNRJAQSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1C[C@@]2(CC[C@H](CNc3nccnc3-c3nn[n-]n3)O2)CO1 ZINC001590219486 1166818884 /nfs/dbraw/zinc/81/88/84/1166818884.db2.gz LLJWEPNQBUDZRO-RULNRJAQSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1CC[C@H](CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590232309 1166821473 /nfs/dbraw/zinc/82/14/73/1166821473.db2.gz VXLWPOCQBOIJCO-ZJUUUORDSA-N -1 1 322.394 0.976 20 0 DCADMM C[C@H]1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)CS1(=O)=O ZINC001590239078 1166823804 /nfs/dbraw/zinc/82/38/04/1166823804.db2.gz LMIUVXBHJCNYLN-WCBMZHEXSA-N -1 1 308.367 0.061 20 0 DCADMM C[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)CS1(=O)=O ZINC001590239078 1166823810 /nfs/dbraw/zinc/82/38/10/1166823810.db2.gz LMIUVXBHJCNYLN-WCBMZHEXSA-N -1 1 308.367 0.061 20 0 DCADMM C[C@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CS1(=O)=O ZINC001590236573 1166824290 /nfs/dbraw/zinc/82/42/90/1166824290.db2.gz KVUPEFSITIQLAR-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CS1(=O)=O ZINC001590236573 1166824294 /nfs/dbraw/zinc/82/42/94/1166824294.db2.gz KVUPEFSITIQLAR-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CCC[C@@H](Cn2cnc3ncc(-c4nn[n-]n4)c(=O)n32)C1 ZINC001590240150 1166825253 /nfs/dbraw/zinc/82/52/53/1166825253.db2.gz CWSWUOVWMCMFCK-NXEZZACHSA-N -1 1 314.353 0.897 20 0 DCADMM CC1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590262904 1166829935 /nfs/dbraw/zinc/82/99/35/1166829935.db2.gz HIRIPEOTWRAZLS-UHFFFAOYSA-N -1 1 315.337 0.459 20 0 DCADMM CC1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590262904 1166829941 /nfs/dbraw/zinc/82/99/41/1166829941.db2.gz HIRIPEOTWRAZLS-UHFFFAOYSA-N -1 1 315.337 0.459 20 0 DCADMM C[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@H]1CO ZINC001590270533 1166833013 /nfs/dbraw/zinc/83/30/13/1166833013.db2.gz YUMUBROLFNHVLE-UWVGGRQHSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@H]1CO ZINC001590270533 1166833018 /nfs/dbraw/zinc/83/30/18/1166833018.db2.gz YUMUBROLFNHVLE-UWVGGRQHSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1n1ccnc1 ZINC001590274287 1166835273 /nfs/dbraw/zinc/83/52/73/1166835273.db2.gz IRYHPKVMOJBQGO-JQWIXIFHSA-N -1 1 311.353 0.941 20 0 DCADMM C[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1n1ccnc1 ZINC001590274287 1166835276 /nfs/dbraw/zinc/83/52/76/1166835276.db2.gz IRYHPKVMOJBQGO-JQWIXIFHSA-N -1 1 311.353 0.941 20 0 DCADMM C[C@H](C(=O)N1C[C@@H](C)CC1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001590283355 1166840549 /nfs/dbraw/zinc/84/05/49/1166840549.db2.gz HFIKBEZPWZLNGW-DTWKUNHWSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H](CO)O1 ZINC001590320715 1166863302 /nfs/dbraw/zinc/86/33/02/1166863302.db2.gz RCNCLRRKAUGLPF-RITPCOANSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H](CO)O1 ZINC001590320715 1166863306 /nfs/dbraw/zinc/86/33/06/1166863306.db2.gz RCNCLRRKAUGLPF-RITPCOANSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1CSC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590329040 1166867657 /nfs/dbraw/zinc/86/76/57/1166867657.db2.gz KUMVIBSEAKTIEK-SVRRBLITSA-N -1 1 308.371 0.473 20 0 DCADMM C[C@@H]1CSC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590329040 1166867665 /nfs/dbraw/zinc/86/76/65/1166867665.db2.gz KUMVIBSEAKTIEK-SVRRBLITSA-N -1 1 308.371 0.473 20 0 DCADMM C/C=C/C[C@@H](CO)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001590351859 1166881353 /nfs/dbraw/zinc/88/13/53/1166881353.db2.gz IKHRCKDBCFGNIK-NWALNABHSA-N -1 1 318.337 0.333 20 0 DCADMM CCC(=O)N1CC[C@@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC001590361045 1166884698 /nfs/dbraw/zinc/88/46/98/1166884698.db2.gz LAMCBGRNZCWTOK-SSDOTTSWSA-N -1 1 321.366 0.520 20 0 DCADMM CCC(=O)N1CC[C@@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC001590361045 1166884708 /nfs/dbraw/zinc/88/47/08/1166884708.db2.gz LAMCBGRNZCWTOK-SSDOTTSWSA-N -1 1 321.366 0.520 20 0 DCADMM CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001590361101 1166885671 /nfs/dbraw/zinc/88/56/71/1166885671.db2.gz SVAVRKQPMHONNT-VIFPVBQESA-N -1 1 318.337 0.509 20 0 DCADMM CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001590361101 1166885681 /nfs/dbraw/zinc/88/56/81/1166885681.db2.gz SVAVRKQPMHONNT-VIFPVBQESA-N -1 1 318.337 0.509 20 0 DCADMM CCC(=O)NCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590364137 1166887117 /nfs/dbraw/zinc/88/71/17/1166887117.db2.gz AVZIDDLFSWKCHM-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CCC(=O)NCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590364137 1166887125 /nfs/dbraw/zinc/88/71/25/1166887125.db2.gz AVZIDDLFSWKCHM-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CCC(=O)N[C@@H](C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001590363525 1166887158 /nfs/dbraw/zinc/88/71/58/1166887158.db2.gz GFEHMTZRLZKYNT-IUCAKERBSA-N -1 1 304.358 0.762 20 0 DCADMM CCC(=O)N[C@@H](C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001590363525 1166887165 /nfs/dbraw/zinc/88/71/65/1166887165.db2.gz GFEHMTZRLZKYNT-IUCAKERBSA-N -1 1 304.358 0.762 20 0 DCADMM CCC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590375096 1166891466 /nfs/dbraw/zinc/89/14/66/1166891466.db2.gz SQYHUJOLGCGYPC-ZDUSSCGKSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590375096 1166891471 /nfs/dbraw/zinc/89/14/71/1166891471.db2.gz SQYHUJOLGCGYPC-ZDUSSCGKSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590374873 1166893020 /nfs/dbraw/zinc/89/30/20/1166893020.db2.gz AACLIQKEVXEMPA-SECBINFHSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590374873 1166893029 /nfs/dbraw/zinc/89/30/29/1166893029.db2.gz AACLIQKEVXEMPA-SECBINFHSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(C)(C)[C@@H](C)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590373235 1166893053 /nfs/dbraw/zinc/89/30/53/1166893053.db2.gz 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1166910364 /nfs/dbraw/zinc/91/03/64/1166910364.db2.gz MYRISFDMDCLMJZ-YPMHNXCESA-N -1 1 316.365 0.878 20 0 DCADMM CC[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)c1ncc[nH]1 ZINC001590455089 1166912885 /nfs/dbraw/zinc/91/28/85/1166912885.db2.gz GAOOAASDBGOCCH-HTQZYQBOSA-N -1 1 316.329 0.010 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590455428 1166913053 /nfs/dbraw/zinc/91/30/53/1166913053.db2.gz AZECGMXUYWGWSR-SFYZADRCSA-N -1 1 308.321 0.321 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590455428 1166913058 /nfs/dbraw/zinc/91/30/58/1166913058.db2.gz AZECGMXUYWGWSR-SFYZADRCSA-N -1 1 308.321 0.321 20 0 DCADMM CC[C@@]1(C)CC(=O)NN(c2oc(C)nc2-c2nn[n-]n2)C1=O ZINC001590489592 1166923305 /nfs/dbraw/zinc/92/33/05/1166923305.db2.gz SEZXNRTVUFJJBH-LBPRGKRZSA-N -1 1 305.298 0.347 20 0 DCADMM CC[C@]1(C)COCCN1C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590489633 1166924071 /nfs/dbraw/zinc/92/40/71/1166924071.db2.gz CGEJYEQTXMMNIE-TVQRCGJNSA-N -1 1 320.357 0.047 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IVJBPOCEIZGFIQ-SBMIAAHKSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591257330 1167182115 /nfs/dbraw/zinc/18/21/15/1167182115.db2.gz YXVKVFLIUOYHFA-IUCAKERBSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591257330 1167182120 /nfs/dbraw/zinc/18/21/20/1167182120.db2.gz YXVKVFLIUOYHFA-IUCAKERBSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)CC1CC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591260167 1167183972 /nfs/dbraw/zinc/18/39/72/1167183972.db2.gz CEWPXAWOMXBPIK-UHFFFAOYSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)CC1CC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591260167 1167183975 /nfs/dbraw/zinc/18/39/75/1167183975.db2.gz CEWPXAWOMXBPIK-UHFFFAOYSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)CCCONC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591264290 1167186245 /nfs/dbraw/zinc/18/62/45/1167186245.db2.gz ZDFCHGPCYUWBKZ-UHFFFAOYSA-N -1 1 321.297 0.268 20 0 DCADMM COC(=O)CCCONC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591264290 1167186247 /nfs/dbraw/zinc/18/62/47/1167186247.db2.gz ZDFCHGPCYUWBKZ-UHFFFAOYSA-N -1 1 321.297 0.268 20 0 DCADMM COC(=O)C[C@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)CCO1 ZINC001591264625 1167186595 /nfs/dbraw/zinc/18/65/95/1167186595.db2.gz RRNVGSPSTRYYAR-JTQLQIEISA-N -1 1 318.337 0.338 20 0 DCADMM COC(=O)C[C@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)CCO1 ZINC001591264625 1167186600 /nfs/dbraw/zinc/18/66/00/1167186600.db2.gz RRNVGSPSTRYYAR-JTQLQIEISA-N -1 1 318.337 0.338 20 0 DCADMM COC(=O)Cn1ncc(Nc2cncc(-c3nnn[n-]3)n2)c1C ZINC001591270670 1167191939 /nfs/dbraw/zinc/19/19/39/1167191939.db2.gz AZPGDYGCTLADBS-UHFFFAOYSA-N -1 1 315.297 0.078 20 0 DCADMM COC(=O)Cn1ncc(Nc2cncc(-c3nn[n-]n3)n2)c1C ZINC001591270670 1167191943 /nfs/dbraw/zinc/19/19/43/1167191943.db2.gz AZPGDYGCTLADBS-UHFFFAOYSA-N -1 1 315.297 0.078 20 0 DCADMM COC(=O)NCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001591275016 1167194445 /nfs/dbraw/zinc/19/44/45/1167194445.db2.gz IIZLXFTUPVJFMB-UHFFFAOYSA-N -1 1 314.309 0.578 20 0 DCADMM COC(=O)NCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001591275016 1167194449 /nfs/dbraw/zinc/19/44/49/1167194449.db2.gz IIZLXFTUPVJFMB-UHFFFAOYSA-N -1 1 314.309 0.578 20 0 DCADMM COC(=O)[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001591276216 1167196873 /nfs/dbraw/zinc/19/68/73/1167196873.db2.gz FADGNBUYWQXUAJ-LBPRGKRZSA-N -1 1 318.337 0.118 20 0 DCADMM COC(=O)[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001591276216 1167196880 /nfs/dbraw/zinc/19/68/80/1167196880.db2.gz FADGNBUYWQXUAJ-LBPRGKRZSA-N -1 1 318.337 0.118 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC[C@@H](C)C(C)=O)c1 ZINC001591286630 1167199593 /nfs/dbraw/zinc/19/95/93/1167199593.db2.gz NBPJBTDZDSRGSQ-MRVPVSSYSA-N -1 1 319.321 0.430 20 0 DCADMM COC(=O)[C@H]1C[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591283370 1167200749 /nfs/dbraw/zinc/20/07/49/1167200749.db2.gz SXVSIRWQVIWTJT-LJGSYFOKSA-N -1 1 307.335 0.610 20 0 DCADMM COC(=O)[C@H]1C[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001591283370 1167200754 /nfs/dbraw/zinc/20/07/54/1167200754.db2.gz SXVSIRWQVIWTJT-LJGSYFOKSA-N -1 1 307.335 0.610 20 0 DCADMM COC(=O)c1ccc(N(C)[C@H]2CC[C@H]2OC)c(-c2nnn[n-]2)n1 ZINC001591293894 1167202476 /nfs/dbraw/zinc/20/24/76/1167202476.db2.gz RJZOGQCLPRPMHT-GXSJLCMTSA-N -1 1 318.337 0.662 20 0 DCADMM COC(=O)c1ccc(N(C)[C@H]2CC[C@H]2OC)c(-c2nn[n-]n2)n1 ZINC001591293894 1167202484 /nfs/dbraw/zinc/20/24/84/1167202484.db2.gz RJZOGQCLPRPMHT-GXSJLCMTSA-N -1 1 318.337 0.662 20 0 DCADMM COC(=O)c1sccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001591308978 1167210475 /nfs/dbraw/zinc/21/04/75/1167210475.db2.gz AWWBAOWEXKMKOE-UHFFFAOYSA-N -1 1 319.306 0.182 20 0 DCADMM CO[C@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCCC1 ZINC001591316909 1167212317 /nfs/dbraw/zinc/21/23/17/1167212317.db2.gz PXLXGQKEJGVELQ-JTQLQIEISA-N -1 1 305.342 0.744 20 0 DCADMM CO[C@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCCC1 ZINC001591316909 1167212321 /nfs/dbraw/zinc/21/23/21/1167212321.db2.gz PXLXGQKEJGVELQ-JTQLQIEISA-N -1 1 305.342 0.744 20 0 DCADMM CO[C@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(C)(C)C ZINC001591330515 1167218260 /nfs/dbraw/zinc/21/82/60/1167218260.db2.gz IGVOLWPQCBWZLB-SNVBAGLBSA-N -1 1 322.369 0.883 20 0 DCADMM CO[C@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(C)(C)C ZINC001591330515 1167218266 /nfs/dbraw/zinc/21/82/66/1167218266.db2.gz IGVOLWPQCBWZLB-SNVBAGLBSA-N -1 1 322.369 0.883 20 0 DCADMM CO[C@@]1(C)CCCN(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001591338508 1167222514 /nfs/dbraw/zinc/22/25/14/1167222514.db2.gz KZABUOUVSWSROM-AWEZNQCLSA-N -1 1 304.354 0.487 20 0 DCADMM COC1CC(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)C1 ZINC001591345421 1167224648 /nfs/dbraw/zinc/22/46/48/1167224648.db2.gz LYVHEMNHOQLDTR-UHFFFAOYSA-N -1 1 314.349 0.966 20 0 DCADMM COC1CC(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)C1 ZINC001591345421 1167224655 /nfs/dbraw/zinc/22/46/55/1167224655.db2.gz LYVHEMNHOQLDTR-UHFFFAOYSA-N -1 1 314.349 0.966 20 0 DCADMM CO[C@@H]1CCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591354719 1167230387 /nfs/dbraw/zinc/23/03/87/1167230387.db2.gz QMUVSGCKARSLOZ-SNVBAGLBSA-N -1 1 303.326 0.904 20 0 DCADMM CO[C@@H]1CCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591354719 1167230394 /nfs/dbraw/zinc/23/03/94/1167230394.db2.gz QMUVSGCKARSLOZ-SNVBAGLBSA-N -1 1 303.326 0.904 20 0 DCADMM CO[C@H]1COCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591360448 1167232451 /nfs/dbraw/zinc/23/24/51/1167232451.db2.gz ICURTFTVOACKRU-KOLCDFICSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@H]1COCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591360448 1167232459 /nfs/dbraw/zinc/23/24/59/1167232459.db2.gz ICURTFTVOACKRU-KOLCDFICSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@H]1COCC[C@@H]1N(C)c1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591360140 1167232967 /nfs/dbraw/zinc/23/29/67/1167232967.db2.gz HKDYCWUNXCMWPY-RYUDHWBXSA-N -1 1 304.354 0.810 20 0 DCADMM CO[C@H]1COCC[C@@H]1N(C)c1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591360140 1167232971 /nfs/dbraw/zinc/23/29/71/1167232971.db2.gz HKDYCWUNXCMWPY-RYUDHWBXSA-N -1 1 304.354 0.810 20 0 DCADMM CO[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001591359748 1167233386 /nfs/dbraw/zinc/23/33/86/1167233386.db2.gz FYPRHQBKAOHRIC-RXMQYKEDSA-N -1 1 302.747 0.786 20 0 DCADMM CO[C@H]1COCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591360454 1167234614 /nfs/dbraw/zinc/23/46/14/1167234614.db2.gz ICURTFTVOACKRU-ONGXEEELSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@H]1COCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591360454 1167234622 /nfs/dbraw/zinc/23/46/22/1167234622.db2.gz ICURTFTVOACKRU-ONGXEEELSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591362742 1167237542 /nfs/dbraw/zinc/23/75/42/1167237542.db2.gz QEEWYGSJXIAVLN-GZMMTYOYSA-N -1 1 307.310 0.241 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591362742 1167237547 /nfs/dbraw/zinc/23/75/47/1167237547.db2.gz QEEWYGSJXIAVLN-GZMMTYOYSA-N -1 1 307.310 0.241 20 0 DCADMM CO[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1C ZINC001591363925 1167238784 /nfs/dbraw/zinc/23/87/84/1167238784.db2.gz WXVGLBLNQZPAOK-CABZTGNLSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1C ZINC001591363925 1167238788 /nfs/dbraw/zinc/23/87/88/1167238788.db2.gz WXVGLBLNQZPAOK-CABZTGNLSA-N -1 1 302.338 0.759 20 0 DCADMM COC[C@@H](C)OC[C@H](O)COc1cccnc1-c1nnn[n-]1 ZINC001591374669 1167245043 /nfs/dbraw/zinc/24/50/43/1167245043.db2.gz GRKGENOZBQOWOA-ZJUUUORDSA-N -1 1 309.326 0.053 20 0 DCADMM COC[C@@H](C)OC[C@H](O)COc1cccnc1-c1nn[n-]n1 ZINC001591374669 1167245051 /nfs/dbraw/zinc/24/50/51/1167245051.db2.gz GRKGENOZBQOWOA-ZJUUUORDSA-N -1 1 309.326 0.053 20 0 DCADMM COC[C@@H](COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001591377631 1167248888 /nfs/dbraw/zinc/24/88/88/1167248888.db2.gz LFAQSHTWTZEYAJ-UWVGGRQHSA-N -1 1 323.357 0.481 20 0 DCADMM COC[C@@H](OC)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001591381146 1167251449 /nfs/dbraw/zinc/25/14/49/1167251449.db2.gz MEFKYFUHHCFLAE-SSDOTTSWSA-N -1 1 312.355 0.256 20 0 DCADMM COC[C@@H](OC)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001591381146 1167251456 /nfs/dbraw/zinc/25/14/56/1167251456.db2.gz MEFKYFUHHCFLAE-SSDOTTSWSA-N -1 1 312.355 0.256 20 0 DCADMM COC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001591382033 1167252931 /nfs/dbraw/zinc/25/29/31/1167252931.db2.gz BXJZHXPHRGSBFW-ZDUSSCGKSA-N -1 1 304.354 0.537 20 0 DCADMM COC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001591382033 1167252939 /nfs/dbraw/zinc/25/29/39/1167252939.db2.gz BXJZHXPHRGSBFW-ZDUSSCGKSA-N -1 1 304.354 0.537 20 0 DCADMM COCC1(CCNC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001591387884 1167259173 /nfs/dbraw/zinc/25/91/73/1167259173.db2.gz IQCGDPBNDOEURI-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM COCC1(CCNC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001591387884 1167259181 /nfs/dbraw/zinc/25/91/81/1167259181.db2.gz IQCGDPBNDOEURI-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM COCCC(C)(C)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591397684 1167266360 /nfs/dbraw/zinc/26/63/60/1167266360.db2.gz VYLPLGYTIFYLQQ-UHFFFAOYSA-N -1 1 318.381 0.983 20 0 DCADMM COCCC(C)(C)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591397684 1167266366 /nfs/dbraw/zinc/26/63/66/1167266366.db2.gz VYLPLGYTIFYLQQ-UHFFFAOYSA-N -1 1 318.381 0.983 20 0 DCADMM COCCC1(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CCC1 ZINC001591402219 1167268775 /nfs/dbraw/zinc/26/87/75/1167268775.db2.gz CPJTYLVJOQZGIO-VIFPVBQESA-N -1 1 320.357 0.095 20 0 DCADMM COCCCOCCN(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591416825 1167274632 /nfs/dbraw/zinc/27/46/32/1167274632.db2.gz CYAPUAINQYRSJK-UHFFFAOYSA-N -1 1 309.326 0.585 20 0 DCADMM COCCCOCCN(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591416825 1167274641 /nfs/dbraw/zinc/27/46/41/1167274641.db2.gz CYAPUAINQYRSJK-UHFFFAOYSA-N -1 1 309.326 0.585 20 0 DCADMM COCCN(Cc1ccccn1)c1cncc(-c2nnn[n-]2)n1 ZINC001591428169 1167281715 /nfs/dbraw/zinc/28/17/15/1167281715.db2.gz VTRKSXRDYTVDLS-UHFFFAOYSA-N -1 1 312.337 0.705 20 0 DCADMM COCCN(Cc1ccccn1)c1cncc(-c2nn[n-]n2)n1 ZINC001591428169 1167281722 /nfs/dbraw/zinc/28/17/22/1167281722.db2.gz VTRKSXRDYTVDLS-UHFFFAOYSA-N -1 1 312.337 0.705 20 0 DCADMM COCCOCCCOC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591437997 1167285965 /nfs/dbraw/zinc/28/59/65/1167285965.db2.gz CAXKSOGXTUCCON-UHFFFAOYSA-N -1 1 310.310 0.978 20 0 DCADMM COCCOCCCOC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591437997 1167285970 /nfs/dbraw/zinc/28/59/70/1167285970.db2.gz CAXKSOGXTUCCON-UHFFFAOYSA-N -1 1 310.310 0.978 20 0 DCADMM COCCOCCN(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591438666 1167289646 /nfs/dbraw/zinc/28/96/46/1167289646.db2.gz WYLWLLNXQXMCBB-UHFFFAOYSA-N -1 1 311.367 0.663 20 0 DCADMM COCCOCCN(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591438666 1167289654 /nfs/dbraw/zinc/28/96/54/1167289654.db2.gz WYLWLLNXQXMCBB-UHFFFAOYSA-N -1 1 311.367 0.663 20 0 DCADMM CON(C)CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001591464614 1167296114 /nfs/dbraw/zinc/29/61/14/1167296114.db2.gz JGGOORQIEACCFG-UHFFFAOYSA-N -1 1 300.326 0.715 20 0 DCADMM CON(C)CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001591464614 1167296120 /nfs/dbraw/zinc/29/61/20/1167296120.db2.gz JGGOORQIEACCFG-UHFFFAOYSA-N -1 1 300.326 0.715 20 0 DCADMM CON1CCC(C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591468951 1167300767 /nfs/dbraw/zinc/30/07/67/1167300767.db2.gz ZWTBAHAATBRWBS-UHFFFAOYSA-N -1 1 318.337 0.550 20 0 DCADMM CON1CCC(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001591468440 1167301322 /nfs/dbraw/zinc/30/13/22/1167301322.db2.gz MRTWJHKQIXAYSN-UHFFFAOYSA-N -1 1 317.353 0.360 20 0 DCADMM CON1CCC(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001591468440 1167301327 /nfs/dbraw/zinc/30/13/27/1167301327.db2.gz MRTWJHKQIXAYSN-UHFFFAOYSA-N -1 1 317.353 0.360 20 0 DCADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591474788 1167305898 /nfs/dbraw/zinc/30/58/98/1167305898.db2.gz SEVFOEBJWDKSRT-JQWIXIFHSA-N -1 1 302.338 0.949 20 0 DCADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591474788 1167305902 /nfs/dbraw/zinc/30/59/02/1167305902.db2.gz SEVFOEBJWDKSRT-JQWIXIFHSA-N -1 1 302.338 0.949 20 0 DCADMM COc1ccc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)o1 ZINC001591573806 1167333403 /nfs/dbraw/zinc/33/34/03/1167333403.db2.gz HEVGLWSLSNPNLZ-UHFFFAOYSA-N -1 1 303.282 0.763 20 0 DCADMM COc1ccc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)o1 ZINC001591573806 1167333407 /nfs/dbraw/zinc/33/34/07/1167333407.db2.gz HEVGLWSLSNPNLZ-UHFFFAOYSA-N -1 1 303.282 0.763 20 0 DCADMM COc1ccc(F)cc1C(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001591606338 1167337570 /nfs/dbraw/zinc/33/75/70/1167337570.db2.gz YECFYZANHLVNLF-UHFFFAOYSA-N -1 1 303.257 0.489 20 0 DCADMM CS(=O)(=O)[C@@H]1CCN(Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001591673361 1167347782 /nfs/dbraw/zinc/34/77/82/1167347782.db2.gz RNRBFEFHSBYJAX-SECBINFHSA-N -1 1 313.408 0.547 20 0 DCADMM CS(=O)(=O)C1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001591673306 1167348599 /nfs/dbraw/zinc/34/85/99/1167348599.db2.gz OKTHSMNHDGKWEI-UHFFFAOYSA-N -1 1 308.367 0.275 20 0 DCADMM CS(=O)(=O)C1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001591673306 1167348603 /nfs/dbraw/zinc/34/86/03/1167348603.db2.gz OKTHSMNHDGKWEI-UHFFFAOYSA-N -1 1 308.367 0.275 20 0 DCADMM CS(=O)(=O)N1CCC[C@@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001591676443 1167352498 /nfs/dbraw/zinc/35/24/98/1167352498.db2.gz CDNVOYVHHIBNQT-SECBINFHSA-N -1 1 323.382 0.098 20 0 DCADMM CS(=O)(=O)N1CCC[C@@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001591676443 1167352505 /nfs/dbraw/zinc/35/25/05/1167352505.db2.gz CDNVOYVHHIBNQT-SECBINFHSA-N -1 1 323.382 0.098 20 0 DCADMM CSC[C@H](C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001591696835 1167356540 /nfs/dbraw/zinc/35/65/40/1167356540.db2.gz ZMIDFCCFKYAPAG-LURJTMIESA-N -1 1 319.437 0.958 20 0 DCADMM CS[C@@H]1CC[C@@H](NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591693052 1167357177 /nfs/dbraw/zinc/35/71/77/1167357177.db2.gz ZDVJCUOZDPUVFD-DJLDLDEBSA-N -1 1 322.398 0.420 20 0 DCADMM CSC[C@H]1CCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001591697716 1167358736 /nfs/dbraw/zinc/35/87/36/1167358736.db2.gz SXQMAWABGHCJCA-SNVBAGLBSA-N -1 1 306.395 0.813 20 0 DCADMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC001591729567 1167363516 /nfs/dbraw/zinc/36/35/16/1167363516.db2.gz BQZNYFMRWVNADF-SSDOTTSWSA-N -1 1 307.310 0.920 20 0 DCADMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC001591729567 1167363524 /nfs/dbraw/zinc/36/35/24/1167363524.db2.gz BQZNYFMRWVNADF-SSDOTTSWSA-N -1 1 307.310 0.920 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](C)C1=O ZINC001591741613 1167364852 /nfs/dbraw/zinc/36/48/52/1167364852.db2.gz BXENTDUPENDUHU-RKDXNWHRSA-N -1 1 300.322 0.559 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](C)C1=O ZINC001591741613 1167364856 /nfs/dbraw/zinc/36/48/56/1167364856.db2.gz BXENTDUPENDUHU-RKDXNWHRSA-N -1 1 300.322 0.559 20 0 DCADMM C[C@H](O)C1CN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001591770342 1167372656 /nfs/dbraw/zinc/37/26/56/1167372656.db2.gz UBPSNNWQHBGTFI-QMMMGPOBSA-N -1 1 312.333 0.801 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCC[C@H](C)CO ZINC001591835721 1167390872 /nfs/dbraw/zinc/39/08/72/1167390872.db2.gz JTUIQRHIGPJBRM-QMMMGPOBSA-N -1 1 320.353 0.414 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CC(=O)OC(C)(C)C)n1 ZINC001591882644 1167408516 /nfs/dbraw/zinc/40/85/16/1167408516.db2.gz NMROUBORFHHBMH-UHFFFAOYSA-N -1 1 305.342 0.743 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC(=O)OC(C)(C)C)n1 ZINC001591882644 1167408519 /nfs/dbraw/zinc/40/85/19/1167408519.db2.gz NMROUBORFHHBMH-UHFFFAOYSA-N -1 1 305.342 0.743 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C)S(=O)(=O)CC2)c1 ZINC001591885005 1167410891 /nfs/dbraw/zinc/41/08/91/1167410891.db2.gz JQIDXNREMHIUBZ-SNVBAGLBSA-N -1 1 322.394 0.584 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C)S(=O)(=O)CC2)c1 ZINC001591885005 1167410895 /nfs/dbraw/zinc/41/08/95/1167410895.db2.gz JQIDXNREMHIUBZ-SNVBAGLBSA-N -1 1 322.394 0.584 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@](CO)(C(C)C)C2)n1 ZINC001591886172 1167410946 /nfs/dbraw/zinc/41/09/46/1167410946.db2.gz HCYDYFNBIRJRFC-CQSZACIVSA-N -1 1 303.370 0.810 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@](CO)(C(C)C)C2)n1 ZINC001591886172 1167410948 /nfs/dbraw/zinc/41/09/48/1167410948.db2.gz HCYDYFNBIRJRFC-CQSZACIVSA-N -1 1 303.370 0.810 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H]3CCCCN3C2=O)n1 ZINC001591892950 1167412539 /nfs/dbraw/zinc/41/25/39/1167412539.db2.gz UUZZZCFODSJPBA-ONGXEEELSA-N -1 1 314.353 0.530 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H]3CCCCN3C2=O)n1 ZINC001591892950 1167412541 /nfs/dbraw/zinc/41/25/41/1167412541.db2.gz UUZZZCFODSJPBA-ONGXEEELSA-N -1 1 314.353 0.530 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCc3c(nnn3C)C2)n1 ZINC001591893413 1167413020 /nfs/dbraw/zinc/41/30/20/1167413020.db2.gz GEBJZLYPUQVFLI-MRVPVSSYSA-N -1 1 312.341 0.063 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCc3c(nnn3C)C2)n1 ZINC001591893413 1167413024 /nfs/dbraw/zinc/41/30/24/1167413024.db2.gz GEBJZLYPUQVFLI-MRVPVSSYSA-N -1 1 312.341 0.063 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](CO)c2cccnc2)n1 ZINC001591894824 1167413035 /nfs/dbraw/zinc/41/30/35/1167413035.db2.gz YJCUOJFIJAUPCP-LLVKDONJSA-N -1 1 312.337 0.548 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](CO)c2cccnc2)n1 ZINC001591894824 1167413039 /nfs/dbraw/zinc/41/30/39/1167413039.db2.gz YJCUOJFIJAUPCP-LLVKDONJSA-N -1 1 312.337 0.548 20 0 DCADMM Cc1cc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)ccc1F ZINC001591928446 1167420442 /nfs/dbraw/zinc/42/04/42/1167420442.db2.gz AURVRTMZYSIVAB-UHFFFAOYSA-N -1 1 316.300 0.336 20 0 DCADMM Cc1cc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)c(C)o1 ZINC001591928951 1167420874 /nfs/dbraw/zinc/42/08/74/1167420874.db2.gz YPTVGZCRMLGOAM-UHFFFAOYSA-N -1 1 302.298 0.098 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc(-c2nnn[n-]2)n1 ZINC001592036281 1167441335 /nfs/dbraw/zinc/44/13/35/1167441335.db2.gz POIMGLKDBXXWHS-XTWCZFFVSA-N -1 1 313.365 0.413 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc(-c2nn[n-]n2)n1 ZINC001592036281 1167441339 /nfs/dbraw/zinc/44/13/39/1167441339.db2.gz POIMGLKDBXXWHS-XTWCZFFVSA-N -1 1 313.365 0.413 20 0 DCADMM Cc1cc(NCCC2(O)CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001592046395 1167443967 /nfs/dbraw/zinc/44/39/67/1167443967.db2.gz SFUJSPOVTZAWTC-UHFFFAOYSA-N -1 1 304.354 0.914 20 0 DCADMM Cc1cc(NCCC2(O)CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001592046395 1167443970 /nfs/dbraw/zinc/44/39/70/1167443970.db2.gz SFUJSPOVTZAWTC-UHFFFAOYSA-N -1 1 304.354 0.914 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCCS(=O)(=O)CC1 ZINC001592111012 1167457453 /nfs/dbraw/zinc/45/74/53/1167457453.db2.gz YDLILSCNXGDUGI-UHFFFAOYSA-N -1 1 308.367 0.195 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCCS(=O)(=O)CC1 ZINC001592111012 1167457463 /nfs/dbraw/zinc/45/74/63/1167457463.db2.gz YDLILSCNXGDUGI-UHFFFAOYSA-N -1 1 308.367 0.195 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H](C)CN1CCCC1=O ZINC001592113479 1167457662 /nfs/dbraw/zinc/45/76/62/1167457662.db2.gz GYDGPAFDCIMQQO-SNVBAGLBSA-N -1 1 301.354 0.993 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001592113854 1167457696 /nfs/dbraw/zinc/45/76/96/1167457696.db2.gz LKQVAYPUBZLBAN-KOLCDFICSA-N -1 1 315.337 0.505 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(c2nccnn2)CC1 ZINC001592112947 1167457919 /nfs/dbraw/zinc/45/79/19/1167457919.db2.gz CCDYHZZPQXSAOL-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1ccc(CCNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001592150444 1167463595 /nfs/dbraw/zinc/46/35/95/1167463595.db2.gz YRKZMOHZMMUPRR-UHFFFAOYSA-N -1 1 323.360 0.867 20 0 DCADMM Cc1ccc(CCNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001592150444 1167463599 /nfs/dbraw/zinc/46/35/99/1167463599.db2.gz YRKZMOHZMMUPRR-UHFFFAOYSA-N -1 1 323.360 0.867 20 0 DCADMM Cc1ccc(N2CC[C@H](C)[S@](=O)CC2)c(-c2nnn[n-]2)n1 ZINC001592174448 1167468958 /nfs/dbraw/zinc/46/89/58/1167468958.db2.gz FEOICIUZNFOTGD-CHNSCGDPSA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(N2CC[C@H](C)[S@](=O)CC2)c(-c2nn[n-]n2)n1 ZINC001592174448 1167468961 /nfs/dbraw/zinc/46/89/61/1167468961.db2.gz FEOICIUZNFOTGD-CHNSCGDPSA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592177683 1167471339 /nfs/dbraw/zinc/47/13/39/1167471339.db2.gz FVPMVIMDFNFZNM-QWRGUYRKSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592177683 1167471341 /nfs/dbraw/zinc/47/13/41/1167471341.db2.gz FVPMVIMDFNFZNM-QWRGUYRKSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(NC[C@@H](O)c2cnn(C)c2)c(-c2nnn[n-]2)n1 ZINC001592183918 1167472417 /nfs/dbraw/zinc/47/24/17/1167472417.db2.gz YTZUUVGTGDEXAG-LLVKDONJSA-N -1 1 300.326 0.449 20 0 DCADMM Cc1ccc(NC[C@@H](O)c2cnn(C)c2)c(-c2nn[n-]n2)n1 ZINC001592183918 1167472421 /nfs/dbraw/zinc/47/24/21/1167472421.db2.gz YTZUUVGTGDEXAG-LLVKDONJSA-N -1 1 300.326 0.449 20 0 DCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cnnn1C ZINC001592203337 1167475372 /nfs/dbraw/zinc/47/53/72/1167475372.db2.gz WBWSUACGNUYASK-UHFFFAOYSA-N -1 1 323.320 0.062 20 0 DCADMM Cc1cccc(COCC(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001592231492 1167478223 /nfs/dbraw/zinc/47/82/23/1167478223.db2.gz FKPLGWCIPHBKDU-UHFFFAOYSA-N -1 1 313.321 0.811 20 0 DCADMM Cc1ccn2cnc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)c2c1 ZINC001592269248 1167479705 /nfs/dbraw/zinc/47/97/05/1167479705.db2.gz LNOQKJRWHOCKNK-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1ccn2cnc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)c2c1 ZINC001592269248 1167479712 /nfs/dbraw/zinc/47/97/12/1167479712.db2.gz LNOQKJRWHOCKNK-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1ccn(CN(C)Cc2ccon2)c(=O)c1-c1nn[n-]n1 ZINC001592267999 1167480671 /nfs/dbraw/zinc/48/06/71/1167480671.db2.gz VKOVZRRPLFYCNM-UHFFFAOYSA-N -1 1 301.310 0.414 20 0 DCADMM Cc1ccoc1COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592284320 1167483864 /nfs/dbraw/zinc/48/38/64/1167483864.db2.gz WLSNRSYFONGEKO-MRVPVSSYSA-N -1 1 303.282 0.664 20 0 DCADMM Cc1cnc(COCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)o1 ZINC001592294593 1167485020 /nfs/dbraw/zinc/48/50/20/1167485020.db2.gz DPQALJCDIBZINY-UHFFFAOYSA-N -1 1 318.297 0.052 20 0 DCADMM Cc1cnc(COCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)o1 ZINC001592294593 1167485025 /nfs/dbraw/zinc/48/50/25/1167485025.db2.gz DPQALJCDIBZINY-UHFFFAOYSA-N -1 1 318.297 0.052 20 0 DCADMM Cc1cnccc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001592302264 1167487040 /nfs/dbraw/zinc/48/70/40/1167487040.db2.gz ZRLZCOSHEJJPPO-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1cnccc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001592302264 1167487042 /nfs/dbraw/zinc/48/70/42/1167487042.db2.gz ZRLZCOSHEJJPPO-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC001592327227 1167488701 /nfs/dbraw/zinc/48/87/01/1167488701.db2.gz GTRXVUAVTWSYAM-ZETCQYMHSA-N -1 1 320.357 0.388 20 0 DCADMM Cc1[nH]nc(NC(=O)Cn2cc(Cl)cn2)c1-c1nn[n-]n1 ZINC001592329655 1167491953 /nfs/dbraw/zinc/49/19/53/1167491953.db2.gz CBXDOADUCUBWTP-UHFFFAOYSA-N -1 1 307.705 0.387 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](c3nncn3C)C2)n1 ZINC001592337131 1167494072 /nfs/dbraw/zinc/49/40/72/1167494072.db2.gz CACLTEOZRLLJOB-SECBINFHSA-N -1 1 312.341 0.088 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](c3nncn3C)C2)n1 ZINC001592337131 1167494074 /nfs/dbraw/zinc/49/40/74/1167494074.db2.gz CACLTEOZRLLJOB-SECBINFHSA-N -1 1 312.341 0.088 20 0 DCADMM Cc1nnc2n1CCN(c1cc(-c3nnn[n-]3)nc(C)n1)[C@H]2C ZINC001592341189 1167495712 /nfs/dbraw/zinc/49/57/12/1167495712.db2.gz ORODYDHPHFZLKR-ZETCQYMHSA-N -1 1 312.341 0.446 20 0 DCADMM Cc1nnc2n1CCN(c1cc(-c3nn[n-]n3)nc(C)n1)[C@H]2C ZINC001592341189 1167495716 /nfs/dbraw/zinc/49/57/16/1167495716.db2.gz ORODYDHPHFZLKR-ZETCQYMHSA-N -1 1 312.341 0.446 20 0 DCADMM Cc1nc(C(C)C)ncc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592353165 1167501371 /nfs/dbraw/zinc/50/13/71/1167501371.db2.gz HRAYYRFRRFKSGW-UHFFFAOYSA-N -1 1 313.325 0.556 20 0 DCADMM Cc1nc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)c(C)o1 ZINC001592362761 1167504046 /nfs/dbraw/zinc/50/40/46/1167504046.db2.gz CJTGWAHXAYYZDO-UHFFFAOYSA-N -1 1 301.310 0.693 20 0 DCADMM Cc1nc(C)c(C)c(NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001592357284 1167505137 /nfs/dbraw/zinc/50/51/37/1167505137.db2.gz OPACOTMRNCJGBU-UHFFFAOYSA-N -1 1 300.330 0.286 20 0 DCADMM Cc1nc(NC[C@@H](O)COCC2CC2)cc(-c2nnn[n-]2)n1 ZINC001592385901 1167509152 /nfs/dbraw/zinc/50/91/52/1167509152.db2.gz KDIFKRJPFRHJKP-SNVBAGLBSA-N -1 1 305.342 0.165 20 0 DCADMM Cc1nc(NC[C@@H](O)COCC2CC2)cc(-c2nn[n-]n2)n1 ZINC001592385901 1167509157 /nfs/dbraw/zinc/50/91/57/1167509157.db2.gz KDIFKRJPFRHJKP-SNVBAGLBSA-N -1 1 305.342 0.165 20 0 DCADMM Cc1nc(NCC[C@@]2(O)CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592388916 1167512829 /nfs/dbraw/zinc/51/28/29/1167512829.db2.gz CZTJCMFGHJSXPH-ZDUSSCGKSA-N -1 1 305.342 0.309 20 0 DCADMM Cc1nc(NCC[C@@]2(O)CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592388916 1167512836 /nfs/dbraw/zinc/51/28/36/1167512836.db2.gz CZTJCMFGHJSXPH-ZDUSSCGKSA-N -1 1 305.342 0.309 20 0 DCADMM Cc1nc2ccccn2c(=O)c1CCn1ccnc1-c1nnn[n-]1 ZINC001592404275 1167514700 /nfs/dbraw/zinc/51/47/00/1167514700.db2.gz LYVQEAWIHZHFIN-UHFFFAOYSA-N -1 1 322.332 0.622 20 0 DCADMM Cc1nc2ccccn2c(=O)c1CCn1ccnc1-c1nn[n-]n1 ZINC001592404275 1167514705 /nfs/dbraw/zinc/51/47/05/1167514705.db2.gz LYVQEAWIHZHFIN-UHFFFAOYSA-N -1 1 322.332 0.622 20 0 DCADMM Cc1cnc(C)nc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592408690 1167515433 /nfs/dbraw/zinc/51/54/33/1167515433.db2.gz YHZQAGCHTJKGJC-ZETCQYMHSA-N -1 1 314.313 0.065 20 0 DCADMM Cc1ncccc1COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592417355 1167517176 /nfs/dbraw/zinc/51/71/76/1167517176.db2.gz WSBKXRHOCRQUHT-SECBINFHSA-N -1 1 314.309 0.466 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnn(CCF)c2)c1-c1nnn[n-]1 ZINC001592432500 1167519539 /nfs/dbraw/zinc/51/95/39/1167519539.db2.gz ABEDVTKKWNZKDG-UHFFFAOYSA-N -1 1 319.304 0.327 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnn(CCF)c2)c1-c1nn[n-]n1 ZINC001592432500 1167519542 /nfs/dbraw/zinc/51/95/42/1167519542.db2.gz ABEDVTKKWNZKDG-UHFFFAOYSA-N -1 1 319.304 0.327 20 0 DCADMM Cc1nn(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c(C)c1Cl ZINC001592435910 1167522657 /nfs/dbraw/zinc/52/26/57/1167522657.db2.gz DXEMTHUWOOFXAK-UHFFFAOYSA-N -1 1 321.732 0.453 20 0 DCADMM Cc1nnc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1C1CC1 ZINC001592446470 1167527231 /nfs/dbraw/zinc/52/72/31/1167527231.db2.gz DFLOCSFHFNFOTG-UHFFFAOYSA-N -1 1 300.282 0.947 20 0 DCADMM Cc1nnc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1C1CC1 ZINC001592446470 1167527238 /nfs/dbraw/zinc/52/72/38/1167527238.db2.gz DFLOCSFHFNFOTG-UHFFFAOYSA-N -1 1 300.282 0.947 20 0 DCADMM Cc1noc(C2(NCc3nc(-c4nnn[n-]4)cs3)CC2)n1 ZINC001592459606 1167529936 /nfs/dbraw/zinc/52/99/36/1167529936.db2.gz LKAUJUREEASSFZ-UHFFFAOYSA-N -1 1 304.339 0.794 20 0 DCADMM Cc1noc(C2(NCc3nc(-c4nn[n-]n4)cs3)CC2)n1 ZINC001592459606 1167529941 /nfs/dbraw/zinc/52/99/41/1167529941.db2.gz LKAUJUREEASSFZ-UHFFFAOYSA-N -1 1 304.339 0.794 20 0 DCADMM Cc1nsc(N(C)C(=O)Cn2cccn2)c1-c1nnn[n-]1 ZINC001592467719 1167532365 /nfs/dbraw/zinc/53/23/65/1167532365.db2.gz DUBVMEFLSLRVKQ-UHFFFAOYSA-N -1 1 304.339 0.491 20 0 DCADMM Cc1nsc(N(C)C(=O)Cn2cccn2)c1-c1nn[n-]n1 ZINC001592467719 1167532371 /nfs/dbraw/zinc/53/23/71/1167532371.db2.gz DUBVMEFLSLRVKQ-UHFFFAOYSA-N -1 1 304.339 0.491 20 0 DCADMM Cc1nsc(NC(=O)[C@@H]2C[C@]23CCOC3)c1-c1nnn[n-]1 ZINC001592479852 1167534598 /nfs/dbraw/zinc/53/45/98/1167534598.db2.gz QPXXPEXGCHKNJU-MADCSZMMSA-N -1 1 306.351 0.997 20 0 DCADMM Cc1nsc(NC(=O)[C@@H]2C[C@]23CCOC3)c1-c1nn[n-]n1 ZINC001592479852 1167534605 /nfs/dbraw/zinc/53/46/05/1167534605.db2.gz QPXXPEXGCHKNJU-MADCSZMMSA-N -1 1 306.351 0.997 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nc(N(C)C)n[nH]1 ZINC001592500534 1167541338 /nfs/dbraw/zinc/54/13/38/1167541338.db2.gz DKTWVZLVBPGXEG-UHFFFAOYSA-N -1 1 303.286 0.205 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nc(N(C)C)n[nH]1 ZINC001592500534 1167541341 /nfs/dbraw/zinc/54/13/41/1167541341.db2.gz DKTWVZLVBPGXEG-UHFFFAOYSA-N -1 1 303.286 0.205 20 0 DCADMM Cc1onc(CC(=O)NN2CCCC[C@H]2C)c1-c1nnn[n-]1 ZINC001592516550 1167546349 /nfs/dbraw/zinc/54/63/49/1167546349.db2.gz UZPVEWBINFSDFH-MRVPVSSYSA-N -1 1 305.342 0.611 20 0 DCADMM Cc1onc(CC(=O)NN2CCCC[C@H]2C)c1-c1nn[n-]n1 ZINC001592516550 1167546356 /nfs/dbraw/zinc/54/63/56/1167546356.db2.gz UZPVEWBINFSDFH-MRVPVSSYSA-N -1 1 305.342 0.611 20 0 DCADMM Cc1onc(Cc2nnc(-c3cnccn3)o2)c1-c1nnn[n-]1 ZINC001592516670 1167548459 /nfs/dbraw/zinc/54/84/59/1167548459.db2.gz FXWXTUJAXRVEHE-UHFFFAOYSA-N -1 1 311.265 0.594 20 0 DCADMM Cc1onc(Cc2nnc(-c3cnccn3)o2)c1-c1nn[n-]n1 ZINC001592516670 1167548464 /nfs/dbraw/zinc/54/84/64/1167548464.db2.gz FXWXTUJAXRVEHE-UHFFFAOYSA-N -1 1 311.265 0.594 20 0 DCADMM Cn1c(=O)[nH]c(N2CC[C@H]2C2CCCC2)c(-c2nn[n-]n2)c1=O ZINC001592542842 1167548971 /nfs/dbraw/zinc/54/89/71/1167548971.db2.gz ALOGTEPQCUESNE-VIFPVBQESA-N -1 1 317.353 0.023 20 0 DCADMM Clc1nc(N2CCn3ncnc3C2)sc1-c1nnn[n-]1 ZINC001592540334 1167550883 /nfs/dbraw/zinc/55/08/83/1167550883.db2.gz INWKJFPUECNEIO-UHFFFAOYSA-N -1 1 309.746 0.588 20 0 DCADMM Clc1nc(N2CCn3ncnc3C2)sc1-c1nn[n-]n1 ZINC001592540334 1167550889 /nfs/dbraw/zinc/55/08/89/1167550889.db2.gz INWKJFPUECNEIO-UHFFFAOYSA-N -1 1 309.746 0.588 20 0 DCADMM Cn1c(=O)[nH]c(NCc2cccs2)c(-c2nn[n-]n2)c1=O ZINC001592544843 1167551671 /nfs/dbraw/zinc/55/16/71/1167551671.db2.gz APGZGCDKNXBMGT-UHFFFAOYSA-N -1 1 305.323 0.340 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CC[C@H]2CCCCO2)n1 ZINC001592558909 1167557951 /nfs/dbraw/zinc/55/79/51/1167557951.db2.gz MCZZXIQWZFDCBF-SECBINFHSA-N -1 1 305.342 0.888 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CC[C@H]2CCCCO2)n1 ZINC001592558909 1167557953 /nfs/dbraw/zinc/55/79/53/1167557953.db2.gz MCZZXIQWZFDCBF-SECBINFHSA-N -1 1 305.342 0.888 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCOC(C)(C)C2)n1 ZINC001592558684 1167558727 /nfs/dbraw/zinc/55/87/27/1167558727.db2.gz GCVLEJAQAWWMEY-QMMMGPOBSA-N -1 1 305.342 0.744 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCOC(C)(C)C2)n1 ZINC001592558684 1167558732 /nfs/dbraw/zinc/55/87/32/1167558732.db2.gz GCVLEJAQAWWMEY-QMMMGPOBSA-N -1 1 305.342 0.744 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CC23CCOCC3)n1 ZINC001592559950 1167561012 /nfs/dbraw/zinc/56/10/12/1167561012.db2.gz QDFUENWMBMDOAS-SECBINFHSA-N -1 1 318.341 0.291 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CC23CCOCC3)n1 ZINC001592559950 1167561017 /nfs/dbraw/zinc/56/10/17/1167561017.db2.gz QDFUENWMBMDOAS-SECBINFHSA-N -1 1 318.341 0.291 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CC(C)(C)CO2)n1 ZINC001592559705 1167561747 /nfs/dbraw/zinc/56/17/47/1167561747.db2.gz HLLNTUXSEXBVKA-MRVPVSSYSA-N -1 1 320.357 0.537 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CC(C)(C)CO2)n1 ZINC001592559705 1167561753 /nfs/dbraw/zinc/56/17/53/1167561753.db2.gz HLLNTUXSEXBVKA-MRVPVSSYSA-N -1 1 320.357 0.537 20 0 DCADMM Cn1cc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)nn1 ZINC001592575613 1167565948 /nfs/dbraw/zinc/56/59/48/1167565948.db2.gz IEPGETPLCWYGCY-UHFFFAOYSA-N -1 1 308.305 0.358 20 0 DCADMM Cn1cc(C[C@@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)cn1 ZINC001592571026 1167566530 /nfs/dbraw/zinc/56/65/30/1167566530.db2.gz MQDSXMBRGIARGJ-JTQLQIEISA-N -1 1 311.353 0.459 20 0 DCADMM Cn1cc(CCCNC(=O)c2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001592569220 1167567003 /nfs/dbraw/zinc/56/70/03/1167567003.db2.gz MPXNLASEBIDVER-UHFFFAOYSA-N -1 1 312.337 0.358 20 0 DCADMM Cn1cc(CCCNC(=O)c2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001592569220 1167567007 /nfs/dbraw/zinc/56/70/07/1167567007.db2.gz MPXNLASEBIDVER-UHFFFAOYSA-N -1 1 312.337 0.358 20 0 DCADMM Cn1ccc(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001592580229 1167569297 /nfs/dbraw/zinc/56/92/97/1167569297.db2.gz VBSXNDMUSDZVOD-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ccc(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001592580229 1167569301 /nfs/dbraw/zinc/56/93/01/1167569301.db2.gz VBSXNDMUSDZVOD-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cnc2cccc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)c21 ZINC001592588069 1167573955 /nfs/dbraw/zinc/57/39/55/1167573955.db2.gz JIESHHCWXHQEKV-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1cnc2cccc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)c21 ZINC001592588069 1167573958 /nfs/dbraw/zinc/57/39/58/1167573958.db2.gz JIESHHCWXHQEKV-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1cncc1CCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592590480 1167574801 /nfs/dbraw/zinc/57/48/01/1167574801.db2.gz JESKDQIGZPWCAM-UHFFFAOYSA-N -1 1 313.321 0.785 20 0 DCADMM Cn1nccc1[C@H](O)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592604046 1167580935 /nfs/dbraw/zinc/58/09/35/1167580935.db2.gz HVVFFAYAXJZMJN-SECBINFHSA-N -1 1 319.350 0.125 20 0 DCADMM Cn1nccc1Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001592607599 1167582765 /nfs/dbraw/zinc/58/27/65/1167582765.db2.gz HRZHKZZBWIRENA-UHFFFAOYSA-N -1 1 307.317 0.963 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592719605 1167611095 /nfs/dbraw/zinc/61/10/95/1167611095.db2.gz FVAATFUNVVCBLS-SFYZADRCSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592719605 1167611096 /nfs/dbraw/zinc/61/10/96/1167611096.db2.gz FVAATFUNVVCBLS-SFYZADRCSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)CC[C@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001592725944 1167615862 /nfs/dbraw/zinc/61/58/62/1167615862.db2.gz JRWHYZYRFYMSKX-SECBINFHSA-N -1 1 318.337 0.577 20 0 DCADMM NC(=O)CC[C@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001592725944 1167615864 /nfs/dbraw/zinc/61/58/64/1167615864.db2.gz JRWHYZYRFYMSKX-SECBINFHSA-N -1 1 318.337 0.577 20 0 DCADMM NC(=O)CCCNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592726821 1167617108 /nfs/dbraw/zinc/61/71/08/1167617108.db2.gz CDESRLMDYFTWQF-UHFFFAOYSA-N -1 1 310.264 0.140 20 0 DCADMM NC(=O)CCCNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592726821 1167617115 /nfs/dbraw/zinc/61/71/15/1167617115.db2.gz CDESRLMDYFTWQF-UHFFFAOYSA-N -1 1 310.264 0.140 20 0 DCADMM NC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001592731952 1167621460 /nfs/dbraw/zinc/62/14/60/1167621460.db2.gz PNTSFJXEMDNMHQ-SCSAIBSYSA-N -1 1 314.762 0.224 20 0 DCADMM NC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001592731952 1167621463 /nfs/dbraw/zinc/62/14/63/1167621463.db2.gz PNTSFJXEMDNMHQ-SCSAIBSYSA-N -1 1 314.762 0.224 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccnn1-c1ccccc1 ZINC001592753184 1167630864 /nfs/dbraw/zinc/63/08/64/1167630864.db2.gz QWPLVSDJSSGGFL-UHFFFAOYSA-N -1 1 321.304 0.520 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc2cccnc21 ZINC001592752784 1167631869 /nfs/dbraw/zinc/63/18/69/1167631869.db2.gz DSTJEKQCIQAJPW-UHFFFAOYSA-N -1 1 306.289 0.882 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCc2cccc(O)c21 ZINC001592754491 1167634067 /nfs/dbraw/zinc/63/40/67/1167634067.db2.gz NVGMHAAMYRDWEM-MRVPVSSYSA-N -1 1 311.305 0.721 20 0 DCADMM O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592819168 1167644351 /nfs/dbraw/zinc/64/43/51/1167644351.db2.gz YKHLZWSTCBJRIO-SCZZXKLOSA-N -1 1 303.326 0.876 20 0 DCADMM O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592819168 1167644355 /nfs/dbraw/zinc/64/43/55/1167644355.db2.gz YKHLZWSTCBJRIO-SCZZXKLOSA-N -1 1 303.326 0.876 20 0 DCADMM O=C(C[C@H]1COC(=O)C1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592826556 1167647156 /nfs/dbraw/zinc/64/71/56/1167647156.db2.gz KKKOBQVAWQVECL-ZETCQYMHSA-N -1 1 308.319 0.925 20 0 DCADMM O=C(CSCc1ccc(-c2nnn[n-]2)o1)NC[C@H]1CCCO1 ZINC001592903416 1167660935 /nfs/dbraw/zinc/66/09/35/1167660935.db2.gz QXMCOENLFLZWCE-SECBINFHSA-N -1 1 323.378 0.988 20 0 DCADMM O=C(CSCc1ccc(-c2nn[n-]n2)o1)NC[C@H]1CCCO1 ZINC001592903416 1167660941 /nfs/dbraw/zinc/66/09/41/1167660941.db2.gz QXMCOENLFLZWCE-SECBINFHSA-N -1 1 323.378 0.988 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1COC[C@@H]1C1CC1 ZINC001592914571 1167666029 /nfs/dbraw/zinc/66/60/29/1167666029.db2.gz CQQHEWRBQQJXJY-YPMHNXCESA-N -1 1 314.349 0.345 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1COC[C@@H]1C1CC1 ZINC001592914571 1167666033 /nfs/dbraw/zinc/66/60/33/1167666033.db2.gz CQQHEWRBQQJXJY-YPMHNXCESA-N -1 1 314.349 0.345 20 0 DCADMM O=C(Cc1cnn2c1CCCC2)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592932081 1167666894 /nfs/dbraw/zinc/66/68/94/1167666894.db2.gz NFMGKCQWWOZDER-UHFFFAOYSA-N -1 1 313.325 0.304 20 0 DCADMM O=C(Cc1cnn2c1CCCC2)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592932081 1167666901 /nfs/dbraw/zinc/66/69/01/1167666901.db2.gz NFMGKCQWWOZDER-UHFFFAOYSA-N -1 1 313.325 0.304 20 0 DCADMM O=C(Cc1csc2nccn12)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592932425 1167667409 /nfs/dbraw/zinc/66/74/09/1167667409.db2.gz PCTVMUOPECPTIE-UHFFFAOYSA-N -1 1 315.322 0.480 20 0 DCADMM O=C(Cc1csc2nccn12)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592932425 1167667413 /nfs/dbraw/zinc/66/74/13/1167667413.db2.gz PCTVMUOPECPTIE-UHFFFAOYSA-N -1 1 315.322 0.480 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)ccc1F ZINC001592941675 1167669807 /nfs/dbraw/zinc/66/98/07/1167669807.db2.gz JCTZZWAGMXHCJR-UHFFFAOYSA-N -1 1 306.236 0.375 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(F)cc1F ZINC001592941674 1167670278 /nfs/dbraw/zinc/67/02/78/1167670278.db2.gz IXSNUFQBEIHOBS-UHFFFAOYSA-N -1 1 306.236 0.375 20 0 DCADMM O=C(N[C@H](c1ncon1)C1CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592954886 1167675086 /nfs/dbraw/zinc/67/50/86/1167675086.db2.gz JCTCKGKAZBIEOC-VIFPVBQESA-N -1 1 301.266 0.724 20 0 DCADMM O=C(N[C@H](c1ncon1)C1CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592954886 1167675089 /nfs/dbraw/zinc/67/50/89/1167675089.db2.gz JCTCKGKAZBIEOC-VIFPVBQESA-N -1 1 301.266 0.724 20 0 DCADMM O=C(N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1coc(-c2nnn[n-]2)c1 ZINC001592966202 1167675797 /nfs/dbraw/zinc/67/57/97/1167675797.db2.gz TVMUIMYUFUOFEX-IOISZPOISA-N -1 1 301.306 0.613 20 0 DCADMM O=C(N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1coc(-c2nn[n-]n2)c1 ZINC001592966202 1167675804 /nfs/dbraw/zinc/67/58/04/1167675804.db2.gz TVMUIMYUFUOFEX-IOISZPOISA-N -1 1 301.306 0.613 20 0 DCADMM O=C(N[C@H]1CCCC12OCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC001592976734 1167679031 /nfs/dbraw/zinc/67/90/31/1167679031.db2.gz GKFICQXZMUJWST-NSHDSACASA-N -1 1 316.321 0.287 20 0 DCADMM O=C(N[C@H]1CCCC12OCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC001592976734 1167679036 /nfs/dbraw/zinc/67/90/36/1167679036.db2.gz GKFICQXZMUJWST-NSHDSACASA-N -1 1 316.321 0.287 20 0 DCADMM O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ccsc1-c1nnn[n-]1 ZINC001592997443 1167680992 /nfs/dbraw/zinc/68/09/92/1167680992.db2.gz VOFWYXHTGBGWBF-MRVPVSSYSA-N -1 1 315.362 0.939 20 0 DCADMM O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ccsc1-c1nn[n-]n1 ZINC001592997443 1167680996 /nfs/dbraw/zinc/68/09/96/1167680996.db2.gz VOFWYXHTGBGWBF-MRVPVSSYSA-N -1 1 315.362 0.939 20 0 DCADMM O=C(NC[C@H](CO)[C@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001593006595 1167686869 /nfs/dbraw/zinc/68/68/69/1167686869.db2.gz PMPSXYHMKLNWMC-WCBMZHEXSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NCC1(Br)CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593017504 1167689158 /nfs/dbraw/zinc/68/91/58/1167689158.db2.gz ZQZCEAJEYYZOKX-UHFFFAOYSA-N -1 1 323.154 0.919 20 0 DCADMM O=C(NCC1(Br)CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593017504 1167689162 /nfs/dbraw/zinc/68/91/62/1167689162.db2.gz ZQZCEAJEYYZOKX-UHFFFAOYSA-N -1 1 323.154 0.919 20 0 DCADMM O=C(NC[C@H]1CCC[C@H](O)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593033014 1167690413 /nfs/dbraw/zinc/69/04/13/1167690413.db2.gz FGFPLDPKDVQZJL-ONGXEEELSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@H]1CCC[C@H](O)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593033014 1167690416 /nfs/dbraw/zinc/69/04/16/1167690416.db2.gz FGFPLDPKDVQZJL-ONGXEEELSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NCCCCn1ccnc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593069177 1167697590 /nfs/dbraw/zinc/69/75/90/1167697590.db2.gz VLTXWAZBCSRUAE-UHFFFAOYSA-N -1 1 301.310 0.866 20 0 DCADMM O=C(NCCCCn1ccnc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593069177 1167697595 /nfs/dbraw/zinc/69/75/95/1167697595.db2.gz VLTXWAZBCSRUAE-UHFFFAOYSA-N -1 1 301.310 0.866 20 0 DCADMM O=C(NCCCNc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CC12CC2 ZINC001593076219 1167698380 /nfs/dbraw/zinc/69/83/80/1167698380.db2.gz XUIOWRGGXUQKCQ-VIFPVBQESA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCCNc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CC12CC2 ZINC001593076219 1167698384 /nfs/dbraw/zinc/69/83/84/1167698384.db2.gz XUIOWRGGXUQKCQ-VIFPVBQESA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCOC(F)(F)F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593094103 1167704781 /nfs/dbraw/zinc/70/47/81/1167704781.db2.gz FSJFPPOMOZCYOH-UHFFFAOYSA-N -1 1 317.231 0.920 20 0 DCADMM O=C(NCCOC(F)(F)F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593094103 1167704788 /nfs/dbraw/zinc/70/47/88/1167704788.db2.gz FSJFPPOMOZCYOH-UHFFFAOYSA-N -1 1 317.231 0.920 20 0 DCADMM O=C(NCCNc1ccccn1)c1cccc(-c2nn[n-]n2)n1 ZINC001593091025 1167706214 /nfs/dbraw/zinc/70/62/14/1167706214.db2.gz UQJZOWZQEHQVEA-UHFFFAOYSA-N -1 1 310.321 0.499 20 0 DCADMM O=C(NCCc1cccc(O)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593106536 1167709303 /nfs/dbraw/zinc/70/93/03/1167709303.db2.gz PMZAMXROJBGWSN-UHFFFAOYSA-N -1 1 310.317 0.940 20 0 DCADMM O=C(NCCc1cccc(O)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593106536 1167709309 /nfs/dbraw/zinc/70/93/09/1167709309.db2.gz PMZAMXROJBGWSN-UHFFFAOYSA-N -1 1 310.317 0.940 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N[C@H]1CC12CCCC2 ZINC001593110519 1167710671 /nfs/dbraw/zinc/71/06/71/1167710671.db2.gz BJYLRHRNBOYGSI-VIFPVBQESA-N -1 1 317.357 0.090 20 0 DCADMM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1coc(-c2nnn[n-]2)c1 ZINC001593111590 1167711590 /nfs/dbraw/zinc/71/15/90/1167711590.db2.gz MPWDJINJJZIFKK-NGZCFLSTSA-N -1 1 301.306 0.781 20 0 DCADMM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1coc(-c2nn[n-]n2)c1 ZINC001593111590 1167711595 /nfs/dbraw/zinc/71/15/95/1167711595.db2.gz MPWDJINJJZIFKK-NGZCFLSTSA-N -1 1 301.306 0.781 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cnc2nccn2c1 ZINC001593146453 1167722432 /nfs/dbraw/zinc/72/24/32/1167722432.db2.gz PKYTXLAPAPJPPM-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cnc2nccn2c1 ZINC001593146453 1167722436 /nfs/dbraw/zinc/72/24/36/1167722436.db2.gz PKYTXLAPAPJPPM-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001593195428 1167735481 /nfs/dbraw/zinc/73/54/81/1167735481.db2.gz BVKJMEDKNIZETP-QMMMGPOBSA-N -1 1 303.326 0.975 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1c[nH]c(Br)c1 ZINC001593197572 1167736782 /nfs/dbraw/zinc/73/67/82/1167736782.db2.gz MGDVQOOVAYBANE-UHFFFAOYSA-N -1 1 323.114 0.933 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1c[nH]c(Br)c1 ZINC001593197572 1167736788 /nfs/dbraw/zinc/73/67/88/1167736788.db2.gz MGDVQOOVAYBANE-UHFFFAOYSA-N -1 1 323.114 0.933 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N[C@H]1C=CCCC1 ZINC001593243929 1167743094 /nfs/dbraw/zinc/74/30/94/1167743094.db2.gz SCISAPCUTLFMPQ-VIFPVBQESA-N -1 1 313.321 0.425 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N[C@H]1C=CCCC1 ZINC001593243929 1167743102 /nfs/dbraw/zinc/74/31/02/1167743102.db2.gz SCISAPCUTLFMPQ-VIFPVBQESA-N -1 1 313.321 0.425 20 0 DCADMM O=C([O-])[C@]1([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CCOC1 ZINC001593274985 1167751315 /nfs/dbraw/zinc/75/13/15/1167751315.db2.gz SMEGFLCWYSEYQW-ZDUSSCGKSA-N -1 1 307.285 0.339 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@H]2O1)c1sccc1-c1nn[n-]n1 ZINC001593285272 1167757281 /nfs/dbraw/zinc/75/72/81/1167757281.db2.gz ROAGCINTBUDFMX-KHQFGBGNSA-N -1 1 322.346 0.889 20 0 DCADMM O=C(OCCO[C@H]1CCOC1)c1sccc1-c1nn[n-]n1 ZINC001593289987 1167761623 /nfs/dbraw/zinc/76/16/23/1167761623.db2.gz AKLDJWQPBHMKLG-QMMMGPOBSA-N -1 1 310.335 0.891 20 0 DCADMM O=C(OCCN1CCOC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001593289832 1167761986 /nfs/dbraw/zinc/76/19/86/1167761986.db2.gz BREUSKATNNHTPE-UHFFFAOYSA-N -1 1 321.268 0.615 20 0 DCADMM O=C(OCCN1CCOC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001593289832 1167761990 /nfs/dbraw/zinc/76/19/90/1167761990.db2.gz BREUSKATNNHTPE-UHFFFAOYSA-N -1 1 321.268 0.615 20 0 DCADMM O=C(OCCNC(=O)C1CC1)c1sccc1-c1nn[n-]n1 ZINC001593290150 1167762309 /nfs/dbraw/zinc/76/23/09/1167762309.db2.gz LZCXMINWRRSTSQ-UHFFFAOYSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OCCNc1cccnn1)c1ccc(-c2nn[n-]n2)o1 ZINC001593290127 1167762346 /nfs/dbraw/zinc/76/23/46/1167762346.db2.gz KNEZSQZHQZJVTA-UHFFFAOYSA-N -1 1 301.266 0.519 20 0 DCADMM O=C(OCc1ncnn1CCF)c1cccc(-c2nnn[n-]2)n1 ZINC001593306273 1167766038 /nfs/dbraw/zinc/76/60/38/1167766038.db2.gz LSUWGSJWTSSVKU-UHFFFAOYSA-N -1 1 318.272 0.180 20 0 DCADMM O=C(OCc1ncnn1CCF)c1cccc(-c2nn[n-]n2)n1 ZINC001593306273 1167766043 /nfs/dbraw/zinc/76/60/43/1167766043.db2.gz LSUWGSJWTSSVKU-UHFFFAOYSA-N -1 1 318.272 0.180 20 0 DCADMM O=C(O[C@@H]1CCN2C(=O)OC[C@H]12)c1sccc1-c1nn[n-]n1 ZINC001593308296 1167766213 /nfs/dbraw/zinc/76/62/13/1167766213.db2.gz XCPAMCYTPVYKHF-HTQZYQBOSA-N -1 1 321.318 0.678 20 0 DCADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1cnn2c1CCC2 ZINC001593307987 1167766400 /nfs/dbraw/zinc/76/64/00/1167766400.db2.gz XEQYHLYJQCDCRT-UHFFFAOYSA-N -1 1 317.334 0.823 20 0 DCADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)c1cnn2c1CCC2 ZINC001593307987 1167766406 /nfs/dbraw/zinc/76/64/06/1167766406.db2.gz XEQYHLYJQCDCRT-UHFFFAOYSA-N -1 1 317.334 0.823 20 0 DCADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001593306756 1167767022 /nfs/dbraw/zinc/76/70/22/1167767022.db2.gz FSZUPRLMMXBINE-HYVHXENYSA-N -1 1 319.346 0.790 20 0 DCADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001593306756 1167767030 /nfs/dbraw/zinc/76/70/30/1167767030.db2.gz FSZUPRLMMXBINE-HYVHXENYSA-N -1 1 319.346 0.790 20 0 DCADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCC[C@H](O)C1 ZINC001593314943 1167768578 /nfs/dbraw/zinc/76/85/78/1167768578.db2.gz DSJSBKYODPAABL-VIFPVBQESA-N -1 1 312.333 0.945 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1C[C@@H]2C[C@]2(CO)C1 ZINC001593329556 1167777160 /nfs/dbraw/zinc/77/71/60/1167777160.db2.gz QNHWRASNEQKJRO-RMLUDKJBSA-N -1 1 321.287 0.599 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1C[C@@H]2C[C@]2(CO)C1 ZINC001593329556 1167777169 /nfs/dbraw/zinc/77/71/69/1167777169.db2.gz QNHWRASNEQKJRO-RMLUDKJBSA-N -1 1 321.287 0.599 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1cc[nH]n1 ZINC001593358558 1167783683 /nfs/dbraw/zinc/78/36/83/1167783683.db2.gz JSTWNGGCXQVVCR-GFCCVEGCSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1cc[nH]n1 ZINC001593358558 1167783695 /nfs/dbraw/zinc/78/36/95/1167783695.db2.gz JSTWNGGCXQVVCR-GFCCVEGCSA-N -1 1 310.321 0.962 20 0 DCADMM O=C1CC2(CCC2)N(Cc2nc(-c3nn[n-]n3)cs2)CCN1 ZINC001593383849 1167794332 /nfs/dbraw/zinc/79/43/32/1167794332.db2.gz DCVQRZXRKPZTFG-UHFFFAOYSA-N -1 1 319.394 0.568 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCC(=O)NC1 ZINC001593388231 1167798993 /nfs/dbraw/zinc/79/89/93/1167798993.db2.gz OIKVUPPMZBAUNN-SSDOTTSWSA-N -1 1 306.351 0.071 20 0 DCADMM O=C1CCN(c2ncncc2-c2nn[n-]n2)CCCCCN1 ZINC001593394121 1167807869 /nfs/dbraw/zinc/80/78/69/1167807869.db2.gz GCPQQHPYCUBAPC-UHFFFAOYSA-N -1 1 302.342 0.153 20 0 DCADMM O=C1OC[C@H]2CN(Cc3csc(-c4nn[n-]n4)c3)CCN12 ZINC001593413437 1167827997 /nfs/dbraw/zinc/82/79/97/1167827997.db2.gz VJBVYVCZZKOIPU-SECBINFHSA-N -1 1 306.351 0.565 20 0 DCADMM O=S(=O)(CCCCF)Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001593418816 1167832473 /nfs/dbraw/zinc/83/24/73/1167832473.db2.gz POPZUAHROSLNNW-UHFFFAOYSA-N -1 1 319.293 0.859 20 0 DCADMM O=S(=O)(C[C@H]1CCOC1)Oc1cccnc1-c1nn[n-]n1 ZINC001593418082 1167833866 /nfs/dbraw/zinc/83/38/66/1167833866.db2.gz IPBRGGMYBWLLEL-QMMMGPOBSA-N -1 1 311.323 0.007 20 0 DCADMM O=[S@]1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593467076 1167857223 /nfs/dbraw/zinc/85/72/23/1167857223.db2.gz RNGLYDJXADNCQF-QZDOCOPUSA-N -1 1 310.770 0.625 20 0 DCADMM O=[S@]1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593467076 1167857230 /nfs/dbraw/zinc/85/72/30/1167857230.db2.gz RNGLYDJXADNCQF-QZDOCOPUSA-N -1 1 310.770 0.625 20 0 DCADMM O=c1c(-c2nn[n-]n2)cnc2ncn(C[C@H]3C[C@H]4C=C[C@@H]3C4)n21 ZINC001593493673 1167875201 /nfs/dbraw/zinc/87/52/01/1167875201.db2.gz BAOWEKXNZHDXRR-IVZWLZJFSA-N -1 1 310.321 0.283 20 0 DCADMM O=c1c(-c2nnn[n-]2)cccn1CN1CC[C@@]2(C1)CCCOC2 ZINC001593492111 1167875311 /nfs/dbraw/zinc/87/53/11/1167875311.db2.gz BYKWOXXDARJVKA-OAHLLOKOSA-N -1 1 316.365 0.488 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@@H]1CCC2(CCCC2)O1 ZINC001593494176 1167875626 /nfs/dbraw/zinc/87/56/26/1167875626.db2.gz IUIPODGPLNXUBE-JTQLQIEISA-N -1 1 302.338 0.915 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)c1ccccc1F ZINC001593506491 1167885248 /nfs/dbraw/zinc/88/52/48/1167885248.db2.gz KPEKBWWPYJSDFB-ZDUSSCGKSA-N -1 1 300.297 0.968 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)c1ccccc1F ZINC001593506491 1167885254 /nfs/dbraw/zinc/88/52/54/1167885254.db2.gz KPEKBWWPYJSDFB-ZDUSSCGKSA-N -1 1 300.297 0.968 20 0 DCADMM O[C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)[C@@H]2CCCC[C@@H]12 ZINC001593520390 1167896062 /nfs/dbraw/zinc/89/60/62/1167896062.db2.gz UVGQWJPJCHZJES-YUSALJHKSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)[C@@H]2CCCC[C@@H]12 ZINC001593520390 1167896063 /nfs/dbraw/zinc/89/60/63/1167896063.db2.gz UVGQWJPJCHZJES-YUSALJHKSA-N -1 1 301.354 0.787 20 0 DCADMM OC[C@H](CNc1ccnc(-c2nnn[n-]2)c1)CC1CCOCC1 ZINC001593522543 1167898451 /nfs/dbraw/zinc/89/84/51/1167898451.db2.gz DWVZNVPNYBJSBM-LBPRGKRZSA-N -1 1 318.381 0.521 20 0 DCADMM OC[C@H](CNc1ccnc(-c2nn[n-]n2)c1)CC1CCOCC1 ZINC001593522543 1167898453 /nfs/dbraw/zinc/89/84/53/1167898453.db2.gz DWVZNVPNYBJSBM-LBPRGKRZSA-N -1 1 318.381 0.521 20 0 DCADMM OCC(CO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001593524687 1167900740 /nfs/dbraw/zinc/90/07/40/1167900740.db2.gz QTESMWGYUJHLAY-UHFFFAOYSA-N -1 1 304.232 0.046 20 0 DCADMM OCC(CO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001593524687 1167900746 /nfs/dbraw/zinc/90/07/46/1167900746.db2.gz QTESMWGYUJHLAY-UHFFFAOYSA-N -1 1 304.232 0.046 20 0 DCADMM OC[C@H]1CSCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001593528154 1167903645 /nfs/dbraw/zinc/90/36/45/1167903645.db2.gz GBFREKLZFVRFDP-YFKPBYRVSA-N -1 1 318.815 0.891 20 0 DCADMM OCCn1ccc(Nc2nc(-c3nn[n-]n3)c(Cl)s2)n1 ZINC001593531483 1167908364 /nfs/dbraw/zinc/90/83/64/1167908364.db2.gz LYWVTGVXROKFTP-UHFFFAOYSA-N -1 1 312.746 0.909 20 0 DCADMM c1cc(-c2nn[n-]n2)nc(N2CCN(c3ccnnc3)CC2)c1 ZINC001593549858 1167931897 /nfs/dbraw/zinc/93/18/97/1167931897.db2.gz GHRJYYTWAXVMII-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM c1nc(CNc2cncc(-c3nnn[n-]3)n2)n(-c2ccccc2)n1 ZINC001593571244 1167948066 /nfs/dbraw/zinc/94/80/66/1167948066.db2.gz RNXXKXSEERXCKA-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nc(CNc2cncc(-c3nn[n-]n3)n2)n(-c2ccccc2)n1 ZINC001593571244 1167948078 /nfs/dbraw/zinc/94/80/78/1167948078.db2.gz RNXXKXSEERXCKA-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cn(C[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)nn1 ZINC001593582965 1167948778 /nfs/dbraw/zinc/94/87/78/1167948778.db2.gz IAVDEMFRRQXSQX-SNVBAGLBSA-N -1 1 312.341 0.165 20 0 DCADMM c1cn(C[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)nn1 ZINC001593582965 1167948789 /nfs/dbraw/zinc/94/87/89/1167948789.db2.gz IAVDEMFRRQXSQX-SNVBAGLBSA-N -1 1 312.341 0.165 20 0 DCADMM c1cn2c(n1)[C@H](NCc1cnc3c(-c4nn[n-]n4)cnn3c1)CC2 ZINC001593583136 1167950205 /nfs/dbraw/zinc/95/02/05/1167950205.db2.gz OSGNCZCACLPIGV-LLVKDONJSA-N -1 1 322.336 0.341 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCOC[C@@H]2[C@H]2CCCO2)n1 ZINC001593590496 1167953616 /nfs/dbraw/zinc/95/36/16/1167953616.db2.gz VODRRSKWVZWODC-GHMZBOCLSA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCOC[C@@H]2[C@H]2CCCO2)n1 ZINC001593590496 1167953620 /nfs/dbraw/zinc/95/36/20/1167953620.db2.gz VODRRSKWVZWODC-GHMZBOCLSA-N -1 1 303.326 0.041 20 0 DCADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1nnc2n1CCCCC2 ZINC001593592735 1167955065 /nfs/dbraw/zinc/95/50/65/1167955065.db2.gz BIGSYDRHQRXBKN-UHFFFAOYSA-N -1 1 324.352 0.682 20 0 DCADMM c1ncn(CC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001593593625 1167956353 /nfs/dbraw/zinc/95/63/53/1167956353.db2.gz RFQQPPAGZVVRRI-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM c1ncn(CC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001593593625 1167956359 /nfs/dbraw/zinc/95/63/59/1167956359.db2.gz RFQQPPAGZVVRRI-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N[C@@H]2CCO[C@]3(CCOC3)C2)n1 ZINC001593594841 1167957175 /nfs/dbraw/zinc/95/71/75/1167957175.db2.gz INCQNLXAOHJDSU-NOZJJQNGSA-N -1 1 303.326 0.407 20 0 DCADMM c1noc([C@H]2COCCN2Cc2nc(-c3nnn[n-]3)cs2)n1 ZINC001593593662 1167957574 /nfs/dbraw/zinc/95/75/74/1167957574.db2.gz HVMJNDHYHHSDBE-MRVPVSSYSA-N -1 1 320.338 0.280 20 0 DCADMM c1noc([C@H]2COCCN2Cc2nc(-c3nn[n-]n3)cs2)n1 ZINC001593593662 1167957577 /nfs/dbraw/zinc/95/75/77/1167957577.db2.gz HVMJNDHYHHSDBE-MRVPVSSYSA-N -1 1 320.338 0.280 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)c3ncccc3OC)nc2n1 ZINC001595391640 1167970902 /nfs/dbraw/zinc/97/09/02/1167970902.db2.gz BTDUGXLGQAABIM-UHFFFAOYSA-N -1 1 314.305 0.636 20 0 DCADMM O=C(c1ccc2nncn2c1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001595949082 1167984293 /nfs/dbraw/zinc/98/42/93/1167984293.db2.gz ZFXDIMFNGHQASP-SNVBAGLBSA-N -1 1 312.337 0.337 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)c3snnc3C3CC3)nc2n1 ZINC001596081690 1167986277 /nfs/dbraw/zinc/98/62/77/1167986277.db2.gz PVJFVUPIIJZXLT-UHFFFAOYSA-N -1 1 317.334 0.707 20 0 DCADMM Cc1c(C(=O)[O-])cc(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1C ZINC001599988497 1168078134 /nfs/dbraw/zinc/07/81/34/1168078134.db2.gz VNROOHKEOHPQKJ-MEBBXXQBSA-N -1 1 308.334 0.565 20 0 DCADMM Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)oc1C(=O)[O-] ZINC001600080622 1168113243 /nfs/dbraw/zinc/11/32/43/1168113243.db2.gz TXGDMCWNINWAKR-GHMZBOCLSA-N -1 1 308.334 0.567 20 0 DCADMM Cc1cc([C@H]([NH2+][C@H]2CCN(CC(=O)[O-])C2=O)C(=O)[O-])ccc1F ZINC001600146453 1168126998 /nfs/dbraw/zinc/12/69/98/1168126998.db2.gz HTIUCEBOJUATRY-AAEUAGOBSA-N -1 1 324.308 0.535 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCNC[C@@H]1C ZINC001600349171 1168170421 /nfs/dbraw/zinc/17/04/21/1168170421.db2.gz BKFDKUHRXVGYTC-JTQLQIEISA-N -1 1 305.334 0.452 20 0 DCADMM Cc1ccc(NC(=O)C(=O)N2CCN[C@H](C)C2)c(C(=O)[O-])c1 ZINC001600440281 1168185576 /nfs/dbraw/zinc/18/55/76/1168185576.db2.gz RASZDUMXTMNBCT-SNVBAGLBSA-N -1 1 305.334 0.452 20 0 DCADMM Cc1ccn([C@H](C)CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])n1 ZINC001600594752 1168205273 /nfs/dbraw/zinc/20/52/73/1168205273.db2.gz MTYYOKQOPHGIEW-PWSUYJOCSA-N -1 1 305.338 0.678 20 0 DCADMM Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)s1 ZINC001600621451 1168216540 /nfs/dbraw/zinc/21/65/40/1168216540.db2.gz ZTMWNNVKEAPQGX-GWOFURMSSA-N -1 1 309.391 0.909 20 0 DCADMM Cc1cncc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])c1 ZINC001600627640 1168219381 /nfs/dbraw/zinc/21/93/81/1168219381.db2.gz VKLDSLKIRVGBMH-UHFFFAOYSA-N -1 1 320.393 0.164 20 0 DCADMM Cc1cncc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC001600628116 1168219415 /nfs/dbraw/zinc/21/94/15/1168219415.db2.gz YBWVADDULYIEMI-ZSAUSMIDSA-N -1 1 315.373 0.657 20 0 DCADMM Cc1nc(CC2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)no1 ZINC001600698827 1168256182 /nfs/dbraw/zinc/25/61/82/1168256182.db2.gz IKJYBFSIXXNBIK-VIFPVBQESA-N -1 1 310.354 0.222 20 0 DCADMM Cc1nc(CNCCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])oc1C ZINC001600701965 1168257689 /nfs/dbraw/zinc/25/76/89/1168257689.db2.gz TUVKRVMSPMVJNO-NEPJUHHUSA-N -1 1 309.366 0.950 20 0 DCADMM Cc1ncc(NC(=O)NCCCc2nc[nH]n2)cc1C(=O)[O-] ZINC001600741835 1168271602 /nfs/dbraw/zinc/27/16/02/1168271602.db2.gz DOEPZROGESBVTQ-UHFFFAOYSA-N -1 1 304.310 0.961 20 0 DCADMM Cc1nccnc1CN(C)CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600756589 1168279230 /nfs/dbraw/zinc/27/92/30/1168279230.db2.gz AKEPKRONMYGOFM-NWDGAFQWSA-N -1 1 306.366 0.444 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600769095 1168285353 /nfs/dbraw/zinc/28/53/53/1168285353.db2.gz MEZFWXPPFQJOTO-QPUJVOFHSA-N -1 1 319.365 0.676 20 0 DCADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1CC[C@H](O)[C@@H](CO)C1 ZINC001600784454 1168295814 /nfs/dbraw/zinc/29/58/14/1168295814.db2.gz NIPGVMVWBKFJPT-OCCSQVGLSA-N -1 1 311.382 0.150 20 0 DCADMM 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C[C@H](CCNC(=O)[C@H]1C[C@@H]1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603483013 1169311366 /nfs/dbraw/zinc/31/13/66/1169311366.db2.gz KTMPCYNGBDMWOF-AEJSXWLSSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603536799 1169318407 /nfs/dbraw/zinc/31/84/07/1169318407.db2.gz ZNUIAUYPPOZHNW-HRDYMLBCSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603536799 1169318413 /nfs/dbraw/zinc/31/84/13/1169318413.db2.gz ZNUIAUYPPOZHNW-HRDYMLBCSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)CC1(C)OCCO1 ZINC001603541842 1169319627 /nfs/dbraw/zinc/31/96/27/1169319627.db2.gz YZCSXRFZMWLNOJ-VIFPVBQESA-N -1 1 321.337 0.979 20 0 DCADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)CC1(C)OCCO1 ZINC001603541842 1169319635 /nfs/dbraw/zinc/31/96/35/1169319635.db2.gz YZCSXRFZMWLNOJ-VIFPVBQESA-N -1 1 321.337 0.979 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)CC1(C)OCCO1 ZINC001603558390 1169324507 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DCADMM C[C@@H](NCc1cnc2c(-c3nn[n-]n3)cnn2c1)C(F)(F)F ZINC001603670894 1169348385 /nfs/dbraw/zinc/34/83/85/1169348385.db2.gz QDBHWPKVEJNXKN-ZCFIWIBFSA-N -1 1 312.259 0.950 20 0 DCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H](O)c1ccc(F)cc1 ZINC001603685269 1169350783 /nfs/dbraw/zinc/35/07/83/1169350783.db2.gz CVUGYDPVFLOAAV-PRHODGIISA-N -1 1 315.312 0.752 20 0 DCADMM C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603695228 1169358883 /nfs/dbraw/zinc/35/88/83/1169358883.db2.gz FRSGXBRXCQECAR-BDAKNGLRSA-N -1 1 323.378 0.540 20 0 DCADMM C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603695228 1169358891 /nfs/dbraw/zinc/35/88/91/1169358891.db2.gz FRSGXBRXCQECAR-BDAKNGLRSA-N -1 1 323.378 0.540 20 0 DCADMM CC1(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001603749319 1169375728 /nfs/dbraw/zinc/37/57/28/1169375728.db2.gz RWOFQOSUZLFGNS-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC1(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001603749319 1169375733 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1 302.338 0.803 20 0 DCADMM CCC(=O)N1CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001603970472 1169456977 /nfs/dbraw/zinc/45/69/77/1169456977.db2.gz CWUFSMZZOTXHMZ-UHFFFAOYSA-N -1 1 306.351 0.580 20 0 DCADMM CCC(=O)N1CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001603970472 1169456981 /nfs/dbraw/zinc/45/69/81/1169456981.db2.gz CWUFSMZZOTXHMZ-UHFFFAOYSA-N -1 1 306.351 0.580 20 0 DCADMM CC(C)[C@H]([NH2+]CCC[N-]S(=O)(=O)c1ccns1)C(=O)[O-] ZINC001603980734 1169463699 /nfs/dbraw/zinc/46/36/99/1169463699.db2.gz QUQUSCRUTBMWDR-JTQLQIEISA-N -1 1 321.424 0.510 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001603994760 1169465086 /nfs/dbraw/zinc/46/50/86/1169465086.db2.gz HNPVQZUDZMLYMI-IUCAKERBSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001603994760 1169465092 /nfs/dbraw/zinc/46/50/92/1169465092.db2.gz HNPVQZUDZMLYMI-IUCAKERBSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603996799 1169468187 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CC(C)n1ncc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1N ZINC001604043397 1169478055 /nfs/dbraw/zinc/47/80/55/1169478055.db2.gz KKGXHMBQMKARRT-JTQLQIEISA-N -1 1 306.326 0.195 20 0 DCADMM CCC1(CC)CN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001604084863 1169488454 /nfs/dbraw/zinc/48/84/54/1169488454.db2.gz NQVPAEPLJCXSPM-VIFPVBQESA-N -1 1 304.358 0.668 20 0 DCADMM CC[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@@H](C)S1(=O)=O ZINC001604112211 1169495005 /nfs/dbraw/zinc/49/50/05/1169495005.db2.gz SJDGYOXKOGCRPT-RKDXNWHRSA-N -1 1 323.382 0.059 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC001604112960 1169495662 /nfs/dbraw/zinc/49/56/62/1169495662.db2.gz ILRVKDDFKMUXKD-RYUDHWBXSA-N -1 1 320.393 0.522 20 0 DCADMM CCCC(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001604119395 1169497216 /nfs/dbraw/zinc/49/72/16/1169497216.db2.gz HQZPBHLGVVCCHY-VHSXEESVSA-N -1 1 316.369 0.138 20 0 DCADMM CCCC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001604126250 1169500205 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1169963158 /nfs/dbraw/zinc/96/31/58/1169963158.db2.gz LWCKGENBAMCQDP-MRVPVSSYSA-N -1 1 316.369 0.682 20 0 DCADMM CCOC[C@H](C(=O)[O-])N(C)C[C@H](O)CC1(O)CCCCC1 ZINC001605623548 1169975745 /nfs/dbraw/zinc/97/57/45/1169975745.db2.gz DKPCIGHWYCQMCU-CHWSQXEVSA-N -1 1 303.399 0.854 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc(C)nc(C)n2)nn1C ZINC001605631222 1169977746 /nfs/dbraw/zinc/97/77/46/1169977746.db2.gz YDMGBJHHKNJYDA-UHFFFAOYSA-N -1 1 313.325 0.568 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc(C)nc(C)n2)nn1C ZINC001605631222 1169977748 /nfs/dbraw/zinc/97/77/48/1169977748.db2.gz YDMGBJHHKNJYDA-UHFFFAOYSA-N -1 1 313.325 0.568 20 0 DCADMM Cc1cc(CNC(=O)c2cc(-c3nnn[n-]3)oc2C)n(C)n1 ZINC001605661079 1169983990 /nfs/dbraw/zinc/98/39/90/1169983990.db2.gz MBKFOKCKHWROAR-UHFFFAOYSA-N -1 1 301.310 0.740 20 0 DCADMM Cc1cc(CNC(=O)c2cc(-c3nn[n-]n3)oc2C)n(C)n1 ZINC001605661079 1169984002 /nfs/dbraw/zinc/98/40/02/1169984002.db2.gz MBKFOKCKHWROAR-UHFFFAOYSA-N -1 1 301.310 0.740 20 0 DCADMM Cc1cc(N[C@H](CO)c2cnn(C)c2)nc(-c2nnn[n-]2)c1 ZINC001605720709 1169992632 /nfs/dbraw/zinc/99/26/32/1169992632.db2.gz LOEQKVBWALKEBV-LLVKDONJSA-N -1 1 300.326 0.449 20 0 DCADMM Cc1cc(N[C@H](CO)c2cnn(C)c2)nc(-c2nn[n-]n2)c1 ZINC001605720709 1169992637 /nfs/dbraw/zinc/99/26/37/1169992637.db2.gz LOEQKVBWALKEBV-LLVKDONJSA-N -1 1 300.326 0.449 20 0 DCADMM CCc1[nH]c(CN[C@H]2C(=O)NCC23CCOCC3)cc1C(=O)[O-] ZINC001605773290 1169999027 /nfs/dbraw/zinc/99/90/27/1169999027.db2.gz CFFZJZTVSRELDU-ZDUSSCGKSA-N -1 1 321.377 0.660 20 0 DCADMM CCc1cc2c(C[NH2+][C@@](C)(CO)C(=O)[O-])cc(=O)oc2cc1[O-] ZINC001605802370 1170005067 /nfs/dbraw/zinc/00/50/67/1170005067.db2.gz LLCGZQVGJHUIRG-INIZCTEOSA-N -1 1 321.329 0.986 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1NC[C@H]1CCCCS1(=O)=O ZINC001605803708 1170006013 /nfs/dbraw/zinc/00/60/13/1170006013.db2.gz DZYQQUNWGJVJCQ-SNVBAGLBSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1CCCCS1(=O)=O ZINC001605803708 1170006016 /nfs/dbraw/zinc/00/60/16/1170006016.db2.gz 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321.381 0.577 20 0 DCADMM CN(C[C@@H]1CCCN1C)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001606226468 1170122846 /nfs/dbraw/zinc/12/28/46/1170122846.db2.gz HLRKZSSGIILEDX-NSHDSACASA-N -1 1 304.412 0.597 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)[C@@H]2CC=CCC2)CC1 ZINC001606240480 1170132629 /nfs/dbraw/zinc/13/26/29/1170132629.db2.gz CPJJDNGICHEFQA-CQSZACIVSA-N -1 1 309.410 0.503 20 0 DCADMM COC(=O)C1(NC(=O)Cc2cnc[nH]2)CCC(C(=O)[O-])CC1 ZINC001606353043 1170167594 /nfs/dbraw/zinc/16/75/94/1170167594.db2.gz WBTWHBZPTXOPSW-UHFFFAOYSA-N -1 1 309.322 0.255 20 0 DCADMM COC(=O)[C@@H]1[C@@H](CN2CCC([C@@H](O)C(=O)[O-])CC2)C1(F)F ZINC001606370189 1170171640 /nfs/dbraw/zinc/17/16/40/1170171640.db2.gz ICLAMKKTKRXEKF-KXUCPTDWSA-N -1 1 307.293 0.198 20 0 DCADMM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1CCC1OCCCO1 ZINC001606387344 1170178188 /nfs/dbraw/zinc/17/81/88/1170178188.db2.gz UBDRFDUDFQTNHN-GHMZBOCLSA-N -1 1 301.339 0.478 20 0 DCADMM NC(=O)CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001606410248 1170190344 /nfs/dbraw/zinc/19/03/44/1170190344.db2.gz DOTIZZBPINDBAU-UHFFFAOYSA-N -1 1 304.310 0.187 20 0 DCADMM NC(=O)CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001606410248 1170190350 /nfs/dbraw/zinc/19/03/50/1170190350.db2.gz DOTIZZBPINDBAU-UHFFFAOYSA-N -1 1 304.310 0.187 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1C(=O)[O-] ZINC001606417805 1170192858 /nfs/dbraw/zinc/19/28/58/1170192858.db2.gz SOJTXJFBKHKFHJ-RKDXNWHRSA-N -1 1 309.322 0.020 20 0 DCADMM NC(=O)Cc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001606418847 1170193246 /nfs/dbraw/zinc/19/32/46/1170193246.db2.gz IFSFHCGELOLOKG-UHFFFAOYSA-N -1 1 309.333 0.902 20 0 DCADMM NC(=O)Cc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001606418847 1170193267 /nfs/dbraw/zinc/19/32/67/1170193267.db2.gz IFSFHCGELOLOKG-UHFFFAOYSA-N -1 1 309.333 0.902 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1coc(C2CCC2)n1 ZINC001606446296 1170206698 /nfs/dbraw/zinc/20/66/98/1170206698.db2.gz MHEYZUQVIDSGTE-UHFFFAOYSA-N -1 1 300.282 0.589 20 0 DCADMM O=C(CCN1CCCC1=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001606522255 1170228643 /nfs/dbraw/zinc/22/86/43/1170228643.db2.gz SZLXMQWENIGGTM-UHFFFAOYSA-N -1 1 316.321 0.289 20 0 DCADMM O=C(CCn1ccnn1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001606539505 1170230386 /nfs/dbraw/zinc/23/03/86/1170230386.db2.gz MDXNWCQNNAVZFJ-UHFFFAOYSA-N -1 1 305.323 0.653 20 0 DCADMM O=C(CCn1ccnn1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606539638 1170230919 /nfs/dbraw/zinc/23/09/19/1170230919.db2.gz WNMFPAIELXRFKS-UHFFFAOYSA-N -1 1 304.339 0.226 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCCC[C@H]1O ZINC001606596673 1170241249 /nfs/dbraw/zinc/24/12/49/1170241249.db2.gz SSUDCYVXVFBYHT-ZYHUDNBSSA-N -1 1 302.338 0.224 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCCC[C@H]1O ZINC001606596673 1170241250 /nfs/dbraw/zinc/24/12/50/1170241250.db2.gz SSUDCYVXVFBYHT-ZYHUDNBSSA-N -1 1 302.338 0.224 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc2ocnc21 ZINC001606623662 1170246971 /nfs/dbraw/zinc/24/69/71/1170246971.db2.gz XIJSZWYYZHKHFE-UHFFFAOYSA-N -1 1 311.265 0.238 20 0 DCADMM CO[C@@H](C)c1noc(CN2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1 ZINC001606666068 1170256073 /nfs/dbraw/zinc/25/60/73/1170256073.db2.gz VTPCUXIBTLUWQQ-PKFCDNJMSA-N -1 1 311.338 0.700 20 0 DCADMM CO[C@@]1(C(=O)[O-])CCN(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC001606704385 1170268416 /nfs/dbraw/zinc/26/84/16/1170268416.db2.gz YAVYGKSJIDFVFN-INIZCTEOSA-N -1 1 324.352 0.960 20 0 DCADMM O=C(NCC1(CO)CCCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606705238 1170269689 /nfs/dbraw/zinc/26/96/89/1170269689.db2.gz KMVKASONXSPYPA-UHFFFAOYSA-N -1 1 316.365 0.934 20 0 DCADMM O=C(NCC1(CO)CCCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606705238 1170269692 /nfs/dbraw/zinc/26/96/92/1170269692.db2.gz KMVKASONXSPYPA-UHFFFAOYSA-N -1 1 316.365 0.934 20 0 DCADMM O=C(NCCC1(CO)CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606757891 1170278780 /nfs/dbraw/zinc/27/87/80/1170278780.db2.gz KHOUJHHSDGAXDC-UHFFFAOYSA-N -1 1 303.326 0.546 20 0 DCADMM O=C(NCCC1(CO)CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606757891 1170278788 /nfs/dbraw/zinc/27/87/88/1170278788.db2.gz KHOUJHHSDGAXDC-UHFFFAOYSA-N -1 1 303.326 0.546 20 0 DCADMM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(CN(C)C)nc1 ZINC001606833275 1170306639 /nfs/dbraw/zinc/30/66/39/1170306639.db2.gz RMJYRMHJGBHNKW-INIZCTEOSA-N -1 1 321.377 0.849 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001606830793 1170306792 /nfs/dbraw/zinc/30/67/92/1170306792.db2.gz LMTHVXDRBQVPDB-FBIMIBRVSA-N -1 1 305.363 0.969 20 0 DCADMM COCC1(CCNS(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001606838877 1170307884 /nfs/dbraw/zinc/30/78/84/1170307884.db2.gz HGFVUIFKFGZTKM-UHFFFAOYSA-N -1 1 304.324 0.468 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccnc(CO)c1 ZINC001606842533 1170309270 /nfs/dbraw/zinc/30/92/70/1170309270.db2.gz VKCICIPOLIDHOD-UHFFFAOYSA-N -1 1 311.305 0.079 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccnc(CO)c1 ZINC001606842533 1170309273 /nfs/dbraw/zinc/30/92/73/1170309273.db2.gz VKCICIPOLIDHOD-UHFFFAOYSA-N -1 1 311.305 0.079 20 0 DCADMM O=C(NCc1cnn2c1CCCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001606843622 1170311609 /nfs/dbraw/zinc/31/16/09/1170311609.db2.gz ZNYACUYURUKLQQ-UHFFFAOYSA-N -1 1 313.321 0.923 20 0 DCADMM O=C(NCc1cnn2c1CCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001606843622 1170311612 /nfs/dbraw/zinc/31/16/12/1170311612.db2.gz ZNYACUYURUKLQQ-UHFFFAOYSA-N -1 1 313.321 0.923 20 0 DCADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)C1CCC(O)CC1 ZINC001606863715 1170317744 /nfs/dbraw/zinc/31/77/44/1170317744.db2.gz NEZAJIGEDCVGML-UHFFFAOYSA-N -1 1 303.322 0.828 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cc[n+]([O-])cc1 ZINC001606892702 1170323301 /nfs/dbraw/zinc/32/33/01/1170323301.db2.gz VBADNSLSXYONTB-UHFFFAOYSA-N -1 1 312.293 0.353 20 0 DCADMM COCCN1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C(C)(C)C1 ZINC001606896354 1170326463 /nfs/dbraw/zinc/32/64/63/1170326463.db2.gz WEOQROKZUGDTQE-UHFFFAOYSA-N -1 1 324.381 0.151 20 0 DCADMM O=C(COC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@H]1CCOC1 ZINC001606964190 1170340798 /nfs/dbraw/zinc/34/07/98/1170340798.db2.gz OYFBRTCWEJLFNN-VIFPVBQESA-N -1 1 303.278 0.024 20 0 DCADMM O=C(COC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@H]1CCOC1 ZINC001606964190 1170340802 /nfs/dbraw/zinc/34/08/02/1170340802.db2.gz OYFBRTCWEJLFNN-VIFPVBQESA-N -1 1 303.278 0.024 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCO[C@@H](CCF)C1 ZINC001607026122 1170357725 /nfs/dbraw/zinc/35/77/25/1170357725.db2.gz ZIORGSGHMQAUAJ-JTQLQIEISA-N -1 1 306.301 0.462 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCO[C@@H](CCF)C1 ZINC001607026122 1170357732 /nfs/dbraw/zinc/35/77/32/1170357732.db2.gz ZIORGSGHMQAUAJ-JTQLQIEISA-N -1 1 306.301 0.462 20 0 DCADMM O=S(=O)(N[C@@H]1CCCOCC1)c1cccnc1-c1nn[n-]n1 ZINC001607060359 1170375041 /nfs/dbraw/zinc/37/50/41/1170375041.db2.gz RZDHFGGJTIKJIN-SECBINFHSA-N -1 1 324.366 0.109 20 0 DCADMM O=C1OCC[C@@H]1N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001607055179 1170375346 /nfs/dbraw/zinc/37/53/46/1170375346.db2.gz ZLTHEQULQOBWQQ-JTQLQIEISA-N -1 1 320.378 0.366 20 0 DCADMM O=S1(=O)CC[C@H](CSc2cccnc2-c2nnn[n-]2)C1 ZINC001607072992 1170379508 /nfs/dbraw/zinc/37/95/08/1170379508.db2.gz FLVOPTFJMHRTJS-MRVPVSSYSA-N -1 1 311.392 0.789 20 0 DCADMM O=S1(=O)CC[C@H](CSc2cccnc2-c2nn[n-]n2)C1 ZINC001607072992 1170379515 /nfs/dbraw/zinc/37/95/15/1170379515.db2.gz FLVOPTFJMHRTJS-MRVPVSSYSA-N -1 1 311.392 0.789 20 0 DCADMM O[C@H](CC[C@@H](O)c1ccccc1)Cn1cc(-c2nn[n-]n2)nn1 ZINC001607092165 1170388749 /nfs/dbraw/zinc/38/87/49/1170388749.db2.gz SNTVCWKHYFDLGJ-DGCLKSJQSA-N -1 1 315.337 0.333 20 0 DCADMM O[C@H]1c2ccccc2OC[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001607099005 1170394444 /nfs/dbraw/zinc/39/44/44/1170394444.db2.gz CKEAKPKAZWRUHD-MFKMUULPSA-N -1 1 311.305 0.563 20 0 DCADMM O[C@H]1c2ccccc2OC[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001607099005 1170394449 /nfs/dbraw/zinc/39/44/49/1170394449.db2.gz CKEAKPKAZWRUHD-MFKMUULPSA-N -1 1 311.305 0.563 20 0 DCADMM c1cc(N[C@@H]2CCOC3(CCOCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001607119904 1170404906 /nfs/dbraw/zinc/40/49/06/1170404906.db2.gz MPXSWCBZLQLXNR-GFCCVEGCSA-N -1 1 316.365 0.824 20 0 DCADMM c1cc(N[C@@H]2CCOC3(CCOCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001607119904 1170404909 /nfs/dbraw/zinc/40/49/09/1170404909.db2.gz MPXSWCBZLQLXNR-GFCCVEGCSA-N -1 1 316.365 0.824 20 0 DCADMM c1cn(-c2ncccc2CNc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001607133312 1170406320 /nfs/dbraw/zinc/40/63/20/1170406320.db2.gz BYYSVHURALMPHK-UHFFFAOYSA-N -1 1 319.332 0.876 20 0 DCADMM c1cc(N2CC(c3ncc(C4CC4)cn3)C2)nnc1-c1nnn[n-]1 ZINC001607137284 1170407981 /nfs/dbraw/zinc/40/79/81/1170407981.db2.gz OGAPDRWCYAVRAH-UHFFFAOYSA-N -1 1 321.348 0.928 20 0 DCADMM c1cc(N2CC(c3ncc(C4CC4)cn3)C2)nnc1-c1nn[n-]n1 ZINC001607137284 1170407984 /nfs/dbraw/zinc/40/79/84/1170407984.db2.gz OGAPDRWCYAVRAH-UHFFFAOYSA-N -1 1 321.348 0.928 20 0 DCADMM COc1cccc([C@H](NC(=O)CCc2c[nH]nn2)C(=O)[O-])c1 ZINC001607330952 1170430007 /nfs/dbraw/zinc/43/00/07/1170430007.db2.gz DBFZYLOMMAKUMC-ZDUSSCGKSA-N -1 1 304.306 0.688 20 0 DCADMM COc1cccc([C@H](NC(=O)CCc2cnn[nH]2)C(=O)[O-])c1 ZINC001607330952 1170430010 /nfs/dbraw/zinc/43/00/10/1170430010.db2.gz DBFZYLOMMAKUMC-ZDUSSCGKSA-N -1 1 304.306 0.688 20 0 DCADMM CSCc1n[nH]c(CNC(=O)Nc2ccc(C(=O)[O-])nn2)n1 ZINC001607402034 1170446305 /nfs/dbraw/zinc/44/63/05/1170446305.db2.gz RNHIVUIOHZGGIN-UHFFFAOYSA-N -1 1 323.338 0.478 20 0 DCADMM CSCc1nnc(CNC(=O)Nc2ccc(C(=O)[O-])nn2)[nH]1 ZINC001607402034 1170446306 /nfs/dbraw/zinc/44/63/06/1170446306.db2.gz RNHIVUIOHZGGIN-UHFFFAOYSA-N -1 1 323.338 0.478 20 0 DCADMM Cc1[nH]c(CN2CCC(O)(COCCO)CC2)cc1C(=O)[O-] ZINC001607495531 1170467061 /nfs/dbraw/zinc/46/70/61/1170467061.db2.gz XOVARRIJOQJVBY-UHFFFAOYSA-N -1 1 312.366 0.357 20 0 DCADMM Cc1c(C(=O)[O-])cc(CNC(=O)[C@H]2CN3CCN2C[C@H]3C)n1C ZINC001607512628 1170470486 /nfs/dbraw/zinc/47/04/86/1170470486.db2.gz CRTOMYJBCSWUCL-QMTHXVAHSA-N -1 1 320.393 0.036 20 0 DCADMM Cc1cc(=O)n2nc(CN[C@](C)(CCF)C(=O)[O-])sc2n1 ZINC001607560499 1170476934 /nfs/dbraw/zinc/47/69/34/1170476934.db2.gz BATTWQTYTBETIP-GFCCVEGCSA-N -1 1 314.342 0.752 20 0 DCADMM Cc1ccn(C[C@H](C)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])n1 ZINC001607890915 1170516650 /nfs/dbraw/zinc/51/66/50/1170516650.db2.gz AEIFAKIGEKRPFM-JOYOIKCWSA-N -1 1 305.338 0.363 20 0 DCADMM Cc1cnccc1C=CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001607911926 1170522703 /nfs/dbraw/zinc/52/27/03/1170522703.db2.gz CSRKFJZVOHZFKT-YWVDXFKGSA-N -1 1 300.318 0.938 20 0 DCADMM Cc1csc(=O)n1CCN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001607921816 1170525007 /nfs/dbraw/zinc/52/50/07/1170525007.db2.gz KXAYWKFAULJYQD-JTQLQIEISA-N -1 1 323.378 0.455 20 0 DCADMM Cc1ncc(NC(=O)NCCN2CCCOCC2)cc1C(=O)[O-] ZINC001607982518 1170538564 /nfs/dbraw/zinc/53/85/64/1170538564.db2.gz FRRSWUFPSZLIOP-UHFFFAOYSA-N -1 1 322.365 0.932 20 0 DCADMM Cc1oc(S(=O)(=O)N2CCN[C@H](C)[C@H]2C)cc1C(=O)[O-] ZINC001608053673 1170559369 /nfs/dbraw/zinc/55/93/69/1170559369.db2.gz BGFICECYQLPDAR-HTQZYQBOSA-N -1 1 302.352 0.657 20 0 DCADMM Cn1nc(C(=O)[O-])cc1NC(=O)c1cc(Br)n[nH]1 ZINC001608144927 1170594809 /nfs/dbraw/zinc/59/48/09/1170594809.db2.gz HEFJMPLRSXPLSW-UHFFFAOYSA-N -1 1 314.099 0.856 20 0 DCADMM 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/nfs/dbraw/zinc/62/47/14/957624714.db2.gz UCKYJEHFUSXBSF-JTQLQIEISA-N -1 1 319.361 0.733 20 0 DCADMM O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc2ccc(O)cc2c1[O-] ZINC001295276568 957667935 /nfs/dbraw/zinc/66/79/35/957667935.db2.gz HIXXWEBUZLTYBB-GFCCVEGCSA-N -1 1 314.297 0.786 20 0 DCADMM Cc1[nH]nc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)c1C(=O)[O-] ZINC000070446641 957673919 /nfs/dbraw/zinc/67/39/19/957673919.db2.gz YBRFKGPOQZTLSF-SECBINFHSA-N -1 1 316.383 0.131 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@H](OC)C2CC2)[n-]n1 ZINC001463708905 1013157698 /nfs/dbraw/zinc/15/76/98/1013157698.db2.gz FRHUNHDGKCPBDC-CPCISQLKSA-N -1 1 317.367 0.288 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@H](OC)C2CC2)n[n-]1 ZINC001463708905 1013157703 /nfs/dbraw/zinc/15/77/03/1013157703.db2.gz FRHUNHDGKCPBDC-CPCISQLKSA-N -1 1 317.367 0.288 20 0 DCADMM O=c1cc(CN2CCC3(CC2)C[C@H](O)CCO3)nc2cc[n-]n21 ZINC001414035352 957720967 /nfs/dbraw/zinc/72/09/67/957720967.db2.gz LLXAPDKWCAENCP-CYBMUJFWSA-N -1 1 318.377 0.529 20 0 DCADMM CC(C)C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H](O)C(C)C ZINC001367419310 957793848 /nfs/dbraw/zinc/79/38/48/957793848.db2.gz VZSWMJQZNHJRLU-CMPLNLGQSA-N -1 1 313.402 0.148 20 0 DCADMM CC(=O)N[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)C(C)C ZINC001433092725 1013165555 /nfs/dbraw/zinc/16/55/55/1013165555.db2.gz NTJNGMIELIZPDR-LBPRGKRZSA-N -1 1 306.366 0.950 20 0 DCADMM Nc1cc(Cl)ccc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001296955931 958078477 /nfs/dbraw/zinc/07/84/77/958078477.db2.gz OIEPVIPLSULIDB-UHFFFAOYSA-N -1 1 322.756 0.559 20 0 DCADMM COC(=O)c1cc(C(C)=O)c(NC(=O)Cc2ccn(C)n2)[n-]1 ZINC001361623763 958147932 /nfs/dbraw/zinc/14/79/32/958147932.db2.gz PBDWLKDSANFCJU-UHFFFAOYSA-N -1 1 304.306 0.919 20 0 DCADMM COCCCC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001297190630 958175917 /nfs/dbraw/zinc/17/59/17/958175917.db2.gz YNOSVZBLVDVVNJ-UHFFFAOYSA-N -1 1 307.350 0.402 20 0 DCADMM CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)c1nn[n-]n1 ZINC001361674065 958202904 /nfs/dbraw/zinc/20/29/04/958202904.db2.gz 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20 0 DCADMM O=C(CCc1nn[n-]n1)Nc1ccc2c(c1)NC(=O)CS2 ZINC001362030005 958627698 /nfs/dbraw/zinc/62/76/98/958627698.db2.gz NXGCJCQPNXXASS-UHFFFAOYSA-N -1 1 304.335 0.815 20 0 DCADMM O=C(CSc1n[nH]c(=O)[n-]1)N1CCC(c2cnc[nH]2)CC1 ZINC001362050489 958656523 /nfs/dbraw/zinc/65/65/23/958656523.db2.gz HHVUJDSITQGNNU-UHFFFAOYSA-N -1 1 308.367 0.732 20 0 DCADMM O=C(CCc1cccc(O)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001362064050 958676610 /nfs/dbraw/zinc/67/66/10/958676610.db2.gz QQRCOBRRQJAJOQ-LBPRGKRZSA-N -1 1 303.322 0.438 20 0 DCADMM CCC[C@H](NC(=O)C[C@H]1CCOC[C@@H]1OCC)c1nn[n-]n1 ZINC001362068721 958687450 /nfs/dbraw/zinc/68/74/50/958687450.db2.gz FPAYEECZPNNUNA-WOPDTQHZSA-N -1 1 311.386 0.989 20 0 DCADMM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CCCc1nn[n-]n1 ZINC001362072021 958691166 /nfs/dbraw/zinc/69/11/66/958691166.db2.gz MRZRHKJHMHQMOQ-JTQLQIEISA-N -1 1 309.370 0.855 20 0 DCADMM CSc1ncc(C(=O)NCCCc2cc(=O)[nH][nH]2)c(=O)[n-]1 ZINC001298792668 958714766 /nfs/dbraw/zinc/71/47/66/958714766.db2.gz WTTZQCCQPMBHMC-UHFFFAOYSA-N -1 1 309.351 0.290 20 0 DCADMM CC(=O)NCCN(C(=O)[C@@H]1CCN1C(C)(C)C)[C@H](C)C(=O)[O-] ZINC001588506999 958737658 /nfs/dbraw/zinc/73/76/58/958737658.db2.gz YIBWMOZJPFATHQ-PWSUYJOCSA-N -1 1 313.398 0.297 20 0 DCADMM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)CCCc2nn[n-]n2)C1 ZINC001362111280 958753924 /nfs/dbraw/zinc/75/39/24/958753924.db2.gz RHHINZUNCDDYEV-LBPRGKRZSA-N -1 1 322.413 0.533 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCCC(=O)Nc1cccnc1 ZINC001362114790 958760846 /nfs/dbraw/zinc/76/08/46/958760846.db2.gz WHXYMLMHNJVXRF-UHFFFAOYSA-N -1 1 303.326 0.062 20 0 DCADMM CCCc1cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc(=O)[nH]1 ZINC001362120992 958770747 /nfs/dbraw/zinc/77/07/47/958770747.db2.gz CCDXSSZYZDUIDB-LLVKDONJSA-N -1 1 318.337 0.467 20 0 DCADMM COC(=O)Cc1nc([N-]C(=O)c2cnc([C@@H](C)O)s2)n[nH]1 ZINC001362134245 958800682 /nfs/dbraw/zinc/80/06/82/958800682.db2.gz NRIKQYGYHBSOLW-RXMQYKEDSA-N -1 1 311.323 0.282 20 0 DCADMM CSc1ncc(C(=O)NC[C@H](O)COCC2CC2)c(=O)[n-]1 ZINC001362142488 958813926 /nfs/dbraw/zinc/81/39/26/958813926.db2.gz LMIISJWJVPKDGM-VIFPVBQESA-N -1 1 313.379 0.421 20 0 DCADMM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cnncc1[O-] ZINC001362163452 958853100 /nfs/dbraw/zinc/85/31/00/958853100.db2.gz SZWOGOZNVUTKIY-UHFFFAOYSA-N -1 1 321.358 0.858 20 0 DCADMM C[S@@](=O)CCN1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001362176273 958875636 /nfs/dbraw/zinc/87/56/36/958875636.db2.gz DRZLUSSODQYQOC-OAQYLSRUSA-N -1 1 314.382 0.668 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC001362211001 958934580 /nfs/dbraw/zinc/93/45/80/958934580.db2.gz VQPSRFJRMUMUFO-IUCAKERBSA-N -1 1 309.322 0.395 20 0 DCADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001491616405 958942985 /nfs/dbraw/zinc/94/29/85/958942985.db2.gz ZPAJGRMEHOUXEJ-YUMQZZPRSA-N -1 1 321.385 0.248 20 0 DCADMM COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)CCCc1nn[n-]n1 ZINC001362228604 958962423 /nfs/dbraw/zinc/96/24/23/958962423.db2.gz OXKWMUQGJVKUAJ-YGRLFVJLSA-N -1 1 309.370 0.761 20 0 DCADMM Cc1ccc([C@H](O)CNC(=O)CNC(=O)c2ncccc2[O-])o1 ZINC001362235947 958977490 /nfs/dbraw/zinc/97/74/90/958977490.db2.gz IRKTXGUXNIBVTM-LLVKDONJSA-N -1 1 319.317 0.268 20 0 DCADMM Cc1cc(C2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)n[nH]1 ZINC001362289966 959080003 /nfs/dbraw/zinc/08/00/03/959080003.db2.gz KEKDRJDXMZHYJH-UHFFFAOYSA-N -1 1 304.310 0.334 20 0 DCADMM COC[C@](C)(NC(=O)c1cnc(SC)[n-]c1=O)C(=O)OC ZINC001362296438 959089088 /nfs/dbraw/zinc/08/90/88/959089088.db2.gz OIZJHHZKGKCSIA-LBPRGKRZSA-N -1 1 315.351 0.212 20 0 DCADMM CCOC(=O)Cc1cccc(NC(=O)CCc2nn[n-]n2)c1 ZINC001362333587 959163959 /nfs/dbraw/zinc/16/39/59/959163959.db2.gz AIQXMJAECOKEAM-UHFFFAOYSA-N -1 1 303.322 0.877 20 0 DCADMM C[C@H](C(=O)[O-])C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC001588570890 959183543 /nfs/dbraw/zinc/18/35/43/959183543.db2.gz ULLYAMIOFYCWLV-CFVMTHIKSA-N -1 1 320.389 0.706 20 0 DCADMM C[C@@](NC(=O)c1cnncc1[O-])(C(N)=O)c1cccc(Cl)c1 ZINC001362350898 959191533 /nfs/dbraw/zinc/19/15/33/959191533.db2.gz WMRVGHUZKWALIQ-AWEZNQCLSA-N -1 1 320.736 0.966 20 0 DCADMM O=C(COc1ccsn1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001362409069 959298986 /nfs/dbraw/zinc/29/89/86/959298986.db2.gz PMXBFHUYZLNPIX-ZETCQYMHSA-N -1 1 312.380 0.352 20 0 DCADMM Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCc1nn[n-]n1 ZINC001464000830 1013187958 /nfs/dbraw/zinc/18/79/58/1013187958.db2.gz SYYJSSRDQMNJSY-UHFFFAOYSA-N -1 1 316.365 0.846 20 0 DCADMM C[C@H](CN(C)C(=O)c1cc(C(F)(F)F)nn1C)c1nn[n-]n1 ZINC001362456182 959393321 /nfs/dbraw/zinc/39/33/21/959393321.db2.gz RPEFFPASAIRFPC-ZCFIWIBFSA-N -1 1 317.275 0.828 20 0 DCADMM C[C@@H](C(=O)[O-])N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001588600192 959416642 /nfs/dbraw/zinc/41/66/42/959416642.db2.gz RZYQHCLGPADPIX-JTQLQIEISA-N -1 1 300.355 0.781 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H](C)C(=O)OC(C)C ZINC001362470867 959419317 /nfs/dbraw/zinc/41/93/17/959419317.db2.gz LPYFXNRETZPKHP-ZETCQYMHSA-N -1 1 313.310 0.309 20 0 DCADMM CSc1ncc(C(=O)N2CCc3c(nc[nH]c3=O)C2)c(=O)[n-]1 ZINC001362479916 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COCC1(CC(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001380266159 962953414 /nfs/dbraw/zinc/95/34/14/962953414.db2.gz NSJKOSJYDHYOHW-NSHDSACASA-N -1 1 323.397 0.408 20 0 DCADMM Cn1[n-]c(CN2CC[C@](C)(NC(=O)Cc3ccco3)C2)nc1=O ZINC001380377724 963128710 /nfs/dbraw/zinc/12/87/10/963128710.db2.gz JDJNQLYFOZXALB-HNNXBMFYSA-N -1 1 319.365 0.025 20 0 DCADMM C[C@H](CN(C)Cc1cc(=O)n2[n-]ccc2n1)NC(=O)C1CC1 ZINC001379617242 963271840 /nfs/dbraw/zinc/27/18/40/963271840.db2.gz JUFJUFKOZNJAFQ-SNVBAGLBSA-N -1 1 303.366 0.369 20 0 DCADMM C[C@H](CN(C)Cc1cnns1)NC(=O)c1ncccc1[O-] ZINC001379661472 963351433 /nfs/dbraw/zinc/35/14/33/963351433.db2.gz PIWYJHOYQMQQQS-SECBINFHSA-N -1 1 307.379 0.889 20 0 DCADMM CO[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-])C1CC1 ZINC001380702031 963503604 /nfs/dbraw/zinc/50/36/04/963503604.db2.gz YEUUUBWLBHJJIZ-QMTHXVAHSA-N -1 1 321.377 0.789 20 0 DCADMM CC[C@H]1CC[C@@H](C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CCC2)O1 ZINC001380861090 963641148 /nfs/dbraw/zinc/64/11/48/963641148.db2.gz WKAUQMVKARSLKL-QWRGUYRKSA-N -1 1 323.397 0.596 20 0 DCADMM C[C@H](CNC(=O)Cc1cnoc1)N(C)C(=O)c1ncccc1[O-] ZINC001380868928 963644822 /nfs/dbraw/zinc/64/48/22/963644822.db2.gz ORKDAVAGAYXROD-SNVBAGLBSA-N -1 1 318.333 0.595 20 0 DCADMM COc1cccc(NC(=O)CN2CCN(CC(=O)[O-])CC2)c1 ZINC000314252182 963731353 /nfs/dbraw/zinc/73/13/53/963731353.db2.gz KSSIEBDCDHYMMS-UHFFFAOYSA-N -1 1 307.350 0.336 20 0 DCADMM C[C@@H](NCCC(=O)N1CCOCC1)c1ncc(C(=O)[O-])s1 ZINC000314925897 963830876 /nfs/dbraw/zinc/83/08/76/963830876.db2.gz IGYCXAHEIQHWOL-SECBINFHSA-N -1 1 313.379 0.741 20 0 DCADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC(=O)Nc1ccccc1C(N)=O ZINC000316081733 963974810 /nfs/dbraw/zinc/97/48/10/963974810.db2.gz IWTXSYSSTLOOKY-ZJUUUORDSA-N -1 1 305.334 0.519 20 0 DCADMM CN1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1(C)C ZINC000316523529 964020541 /nfs/dbraw/zinc/02/05/41/964020541.db2.gz WUFNWGXTJBBGES-UHFFFAOYSA-N -1 1 313.398 0.603 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)C1(C(F)F)CC1 ZINC001368849761 964023394 /nfs/dbraw/zinc/02/33/94/964023394.db2.gz FSGZVRLEOGUGHR-BQBZGAKWSA-N -1 1 303.313 0.538 20 0 DCADMM COc1ccccc1C(=O)N[C@@H](C)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001368893251 964106916 /nfs/dbraw/zinc/10/69/16/964106916.db2.gz NWNRRLVUGBAUPT-UWVGGRQHSA-N -1 1 319.365 0.816 20 0 DCADMM C[C@H](CNC(=O)C(C1CC1)C1CC1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001368999932 964269851 /nfs/dbraw/zinc/26/98/51/964269851.db2.gz PCNLZTBUUNZBNO-SNVBAGLBSA-N -1 1 321.425 0.481 20 0 DCADMM CCc1[nH]ccc1C(=O)N(C)C[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001369247707 964589331 /nfs/dbraw/zinc/58/93/31/964589331.db2.gz MOBSODNOKILHMI-SECBINFHSA-N -1 1 306.370 0.651 20 0 DCADMM CCNC(=O)CN1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC001375609023 964604993 /nfs/dbraw/zinc/60/49/93/964604993.db2.gz UKRZBEFOORWXIC-NWDGAFQWSA-N -1 1 320.393 0.506 20 0 DCADMM CO[C@H](CC(C)C)C(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001369275182 964636581 /nfs/dbraw/zinc/63/65/81/964636581.db2.gz IQCGVDYNBKDOGU-WDEREUQCSA-N -1 1 313.402 0.508 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)NCc1n[nH]c(=O)[n-]1 ZINC001369292458 964666532 /nfs/dbraw/zinc/66/65/32/964666532.db2.gz DTHLWTOLDGDAQP-QWRGUYRKSA-N -1 1 323.397 0.264 20 0 DCADMM CCNC(=O)CN1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001376039897 965122082 /nfs/dbraw/zinc/12/20/82/965122082.db2.gz UQAHHZKGLZBUBG-NSHDSACASA-N -1 1 306.366 0.118 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)COC1CCCC1 ZINC001374201244 965122820 /nfs/dbraw/zinc/12/28/20/965122820.db2.gz IFUMZSBDWHPRAK-SNVBAGLBSA-N -1 1 311.386 0.406 20 0 DCADMM CCCN(C(=O)COC)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001374369234 965317925 /nfs/dbraw/zinc/31/79/25/965317925.db2.gz MBOWNXWKVRPUMC-LBPRGKRZSA-N -1 1 321.377 0.887 20 0 DCADMM Cc1ncoc1C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)C(C)C ZINC001374416620 965359738 /nfs/dbraw/zinc/35/97/38/965359738.db2.gz SKFNPLVSJUJGIG-VIFPVBQESA-N -1 1 308.342 0.351 20 0 DCADMM O=C(Cc1cncs1)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001370165997 965845909 /nfs/dbraw/zinc/84/59/09/965845909.db2.gz HYCCIALNVPLKPE-JTQLQIEISA-N -1 1 322.394 0.194 20 0 DCADMM CC(C)[C@@H](O)C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001370288193 965967761 /nfs/dbraw/zinc/96/77/61/965967761.db2.gz CIMIIUNMEAKCCT-JTNHKYCSSA-N -1 1 321.377 0.429 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc2c(c1)COC2 ZINC001374823085 965984836 /nfs/dbraw/zinc/98/48/36/965984836.db2.gz XSVVJGAKKZYNCN-SECBINFHSA-N -1 1 317.349 0.449 20 0 DCADMM COCc1noc(CN[C@@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001376716190 966049840 /nfs/dbraw/zinc/04/98/40/966049840.db2.gz RDDQBHHOMVTUEV-VIFPVBQESA-N -1 1 321.337 0.225 20 0 DCADMM CC[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1ncccc1[O-] ZINC001374993925 966209364 /nfs/dbraw/zinc/20/93/64/966209364.db2.gz HGQVVNASKHXAFM-NSHDSACASA-N -1 1 317.349 0.309 20 0 DCADMM CC[C@H](CNC(=O)Cn1cccn1)NC(=O)c1ncccc1[O-] ZINC001374993924 966209405 /nfs/dbraw/zinc/20/94/05/966209405.db2.gz HGQVVNASKHXAFM-LLVKDONJSA-N -1 1 317.349 0.309 20 0 DCADMM CC[C@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1ncccc1[O-] ZINC001375027782 966255941 /nfs/dbraw/zinc/25/59/41/966255941.db2.gz RHXHUPCRALDBHT-VXGBXAGGSA-N -1 1 321.377 0.838 20 0 DCADMM O=C(NC[C@H](CO)NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001370649775 966331223 /nfs/dbraw/zinc/33/12/23/966331223.db2.gz ZHXAQWXNZFXYFP-GFCCVEGCSA-N -1 1 315.329 0.308 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)CC(=O)NC(C)(C)C ZINC001381502177 966468276 /nfs/dbraw/zinc/46/82/76/966468276.db2.gz AOTJOODZJPFPDL-NSHDSACASA-N -1 1 322.409 0.752 20 0 DCADMM CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1oncc1C ZINC001381747662 966660980 /nfs/dbraw/zinc/66/09/80/966660980.db2.gz MNPHYOXKYVSCMS-JTQLQIEISA-N -1 1 322.369 0.885 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)NCc1n[nH]c(=O)[n-]1 ZINC001371301660 966884055 /nfs/dbraw/zinc/88/40/55/966884055.db2.gz HNVOUSSIIZRTTP-FIQHERPVSA-N -1 1 307.398 0.931 20 0 DCADMM CO[C@H](C(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1)C1CCC1 ZINC001382117826 966953782 /nfs/dbraw/zinc/95/37/82/966953782.db2.gz UMDONSLXSJYPHU-CABZTGNLSA-N -1 1 311.386 0.262 20 0 DCADMM COc1ccnc(C(=O)N(C)C[C@@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001382126785 966962342 /nfs/dbraw/zinc/96/23/42/966962342.db2.gz WSYGXZBFDLSQGX-SECBINFHSA-N -1 1 320.353 0.164 20 0 DCADMM C[C@@H](CNC(=O)c1ccc(Cl)cn1)NCc1n[nH]c(=O)[n-]1 ZINC001371421426 966979369 /nfs/dbraw/zinc/97/93/69/966979369.db2.gz AOGRPWFCBLXASI-ZETCQYMHSA-N -1 1 310.745 0.467 20 0 DCADMM CCO[C@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001371585345 967146529 /nfs/dbraw/zinc/14/65/29/967146529.db2.gz DZNQGDRHLRDMCT-NEPJUHHUSA-N -1 1 321.377 0.885 20 0 DCADMM CO[C@H](C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001430747772 1013710591 /nfs/dbraw/zinc/71/05/91/1013710591.db2.gz IVJZXJNCQCYMBO-LLVKDONJSA-N -1 1 321.377 0.981 20 0 DCADMM O=C(CCC1CCC1)NC[C@H](CO)NC(=O)c1ncccc1[O-] ZINC001382375697 967287166 /nfs/dbraw/zinc/28/71/66/967287166.db2.gz CDSUHMJFCDNEIH-GFCCVEGCSA-N -1 1 321.377 0.574 20 0 DCADMM CC(C)OCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001371797978 967347761 /nfs/dbraw/zinc/34/77/61/967347761.db2.gz PBKOWGWKSQHLLW-NEPJUHHUSA-N -1 1 321.377 0.931 20 0 DCADMM CCC[C@@H](CC)C(=O)NC[C@@H](CO)NC(=O)c1ncccc1[O-] ZINC001382577486 967512497 /nfs/dbraw/zinc/51/24/97/967512497.db2.gz IUBSTODWYPONOT-NEPJUHHUSA-N -1 1 323.393 0.820 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)NC(=O)c1cnn(C)c1 ZINC001382727197 967627638 /nfs/dbraw/zinc/62/76/38/967627638.db2.gz XATAVTTYLHIFOM-VHSXEESVSA-N -1 1 317.349 0.458 20 0 DCADMM COCCC(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001372081668 967631878 /nfs/dbraw/zinc/63/18/78/967631878.db2.gz PCFVYLKZGZCIKE-NSHDSACASA-N -1 1 307.350 0.497 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)NC(=O)c1cncnc1 ZINC001382767519 967657288 /nfs/dbraw/zinc/65/72/88/967657288.db2.gz PURFSNRKWMIRBN-VHSXEESVSA-N -1 1 315.333 0.514 20 0 DCADMM C[C@@]1(CO)CCCN1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001372184840 967726907 /nfs/dbraw/zinc/72/69/07/967726907.db2.gz BRBVWRSQQHQGAA-HNNXBMFYSA-N -1 1 322.365 0.311 20 0 DCADMM C[C@@H](O)[C@@H]1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001372188329 967728993 /nfs/dbraw/zinc/72/89/93/967728993.db2.gz VTHKMOYXDWEYDN-NXEZZACHSA-N -1 1 322.365 0.167 20 0 DCADMM C[C@H]1CCCC[C@@H]1CC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1 ZINC001372255549 967798865 /nfs/dbraw/zinc/79/88/65/967798865.db2.gz LBSMYKXBYPIZBX-QWHCGFSZSA-N -1 1 323.441 0.873 20 0 DCADMM CO[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001372543820 968105773 /nfs/dbraw/zinc/10/57/73/968105773.db2.gz FEAKCYRRKQAINQ-JTNHKYCSSA-N -1 1 319.361 0.589 20 0 DCADMM CC(C)[C@H]1C[C@H]1C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC001372892131 968505301 /nfs/dbraw/zinc/50/53/01/968505301.db2.gz VJRLTOZUTKEYNO-CHWSQXEVSA-N -1 1 321.425 0.481 20 0 DCADMM O=C([C@H]1CCCn2ncnc21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001448228233 1013831591 /nfs/dbraw/zinc/83/15/91/1013831591.db2.gz WJYFJTUCAJGOMY-ZJUUUORDSA-N -1 1 318.337 0.650 20 0 DCADMM C[C@H](CCNC(=O)c1ncc[nH]1)NC(=O)c1ncccc1[O-] ZINC001373268712 968876558 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313.398 0.156 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1CCSC1 ZINC001594516922 985920787 /nfs/dbraw/zinc/92/07/87/985920787.db2.gz WMMFOHQMGACVTI-MNOVXSKESA-N -1 1 301.412 0.682 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NO[C@H]1CCCCO1 ZINC001594518837 985931720 /nfs/dbraw/zinc/93/17/20/985931720.db2.gz DJSIOFZJFBAQEQ-AAEUAGOBSA-N -1 1 315.370 0.635 20 0 DCADMM Cc1n[nH]c(C(=O)NCCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])c1C ZINC001599967754 985939816 /nfs/dbraw/zinc/93/98/16/985939816.db2.gz ZOJRFJJCUUHISC-WDEREUQCSA-N -1 1 322.365 0.326 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1ccnn1C ZINC001594519352 985948847 /nfs/dbraw/zinc/94/88/47/985948847.db2.gz SKLKSHZFNKVYLX-NSHDSACASA-N -1 1 309.370 0.111 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001594519537 985959753 /nfs/dbraw/zinc/95/97/53/985959753.db2.gz YVNCTXIGIRGPJP-LOWDOPEQSA-N -1 1 311.382 0.497 20 0 DCADMM CCOCCOCC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001596934648 986041088 /nfs/dbraw/zinc/04/10/88/986041088.db2.gz FLJWRDZITCGYAW-GFCCVEGCSA-N -1 1 302.371 0.047 20 0 DCADMM Cc1c(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)ccc2cncn21 ZINC001599975397 986081884 /nfs/dbraw/zinc/08/18/84/986081884.db2.gz NERPOXLGOWRJBV-CMPLNLGQSA-N -1 1 303.318 0.550 20 0 DCADMM C[C@@H](C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])C(C)(F)F ZINC001589342312 986266211 /nfs/dbraw/zinc/26/62/11/986266211.db2.gz IZFXLOSSOCOWAR-NSHDSACASA-N -1 1 321.368 0.438 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H](C)CN1 ZINC001594554140 986271838 /nfs/dbraw/zinc/27/18/38/986271838.db2.gz LAYKPXXHQAFMGZ-IUCAKERBSA-N -1 1 316.354 0.895 20 0 DCADMM C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001594584411 986460736 /nfs/dbraw/zinc/46/07/36/986460736.db2.gz GEQBOYQTESBDRP-IAQYHMDHSA-N -1 1 315.373 0.662 20 0 DCADMM C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001594585047 986471853 /nfs/dbraw/zinc/47/18/53/986471853.db2.gz RUJWVVZQVNOIOC-ZIAGYGMSSA-N -1 1 323.437 0.916 20 0 DCADMM C[C@@H]1CN2CCN1C[C@H]2C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001594585033 986472410 /nfs/dbraw/zinc/47/24/10/986472410.db2.gz RSOIABIBRPXCPW-OLZOCXBDSA-N -1 1 309.410 0.669 20 0 DCADMM CCO[C@H](CC)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001385628974 986484410 /nfs/dbraw/zinc/48/44/10/986484410.db2.gz VRVGYPZBZNKKSG-DGCLKSJQSA-N -1 1 321.377 0.933 20 0 DCADMM C[C@H](C(=O)NCc1ccc(F)cc1)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001589414889 986639675 /nfs/dbraw/zinc/63/96/75/986639675.db2.gz HHISGNJTDGACHU-OSMZGAPFSA-N -1 1 324.352 0.598 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001594701315 987141829 /nfs/dbraw/zinc/14/18/29/987141829.db2.gz JWDXHXJJMMKHSG-VXGBXAGGSA-N -1 1 322.365 0.313 20 0 DCADMM CN(CCNC(=O)[C@@H]1CCCOCC1)C(=O)c1ncccc1[O-] ZINC001386877106 987472441 /nfs/dbraw/zinc/47/24/41/987472441.db2.gz XTRYLHSQEWTQEP-GFCCVEGCSA-N -1 1 321.377 0.792 20 0 DCADMM CCc1[nH]c(CN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1C(=O)[O-] ZINC001597391323 987621195 /nfs/dbraw/zinc/62/11/95/987621195.db2.gz KKMFMWDSYHPSSO-PHIMTYICSA-N -1 1 305.334 0.322 20 0 DCADMM CO[C@@H](C)C(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001387335932 987776386 /nfs/dbraw/zinc/77/63/86/987776386.db2.gz MRVBXGPVVKAGCA-QWRGUYRKSA-N -1 1 307.350 0.543 20 0 DCADMM C[C@H](CCNC(=O)c1cnn(C)c1)NC(=O)c1ncccc1[O-] ZINC001387390489 987803106 /nfs/dbraw/zinc/80/31/06/987803106.db2.gz DNZRIIOKHJOAHN-SNVBAGLBSA-N -1 1 317.349 0.459 20 0 DCADMM CC(C)(C)[C@@H]1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C[C@H]1O ZINC001589732510 987962958 /nfs/dbraw/zinc/96/29/58/987962958.db2.gz RNNGBYCJBINYQB-JHJVBQTASA-N -1 1 312.410 0.791 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CCCOC1 ZINC001387695284 988033320 /nfs/dbraw/zinc/03/33/20/988033320.db2.gz DGDKEPFLPXXFQU-LLVKDONJSA-N -1 1 307.350 0.402 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1ncccc1F ZINC001387696169 988034106 /nfs/dbraw/zinc/03/41/06/988034106.db2.gz OSMHMQPBSHIZIT-UHFFFAOYSA-N -1 1 318.308 0.823 20 0 DCADMM CC(C)(C)N1CC[C@@H](N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001589806347 988229639 /nfs/dbraw/zinc/22/96/39/988229639.db2.gz NGBCERILDORWBD-ZYHUDNBSSA-N -1 1 321.381 0.623 20 0 DCADMM CC(C)(C)N1CC[C@H]1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001589814131 988243249 /nfs/dbraw/zinc/24/32/49/988243249.db2.gz DETOASAMBKOISM-MQIPJXDCSA-N -1 1 310.394 0.809 20 0 DCADMM CC(C)(C)N1CCN([C@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001589817610 988266335 /nfs/dbraw/zinc/26/63/35/988266335.db2.gz FPZPIBUMYPLLML-ZDUSSCGKSA-N -1 1 311.426 0.868 20 0 DCADMM Cc1ncoc1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001388999707 988727236 /nfs/dbraw/zinc/72/72/36/988727236.db2.gz MXDIRVRYCHPACO-UHFFFAOYSA-N -1 1 318.333 0.928 20 0 DCADMM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)N[C@@H]1CCCc3cn[nH]c31)C2 ZINC001552402324 1015418843 /nfs/dbraw/zinc/41/88/43/1015418843.db2.gz JOFRAMFWEJVYTK-RWSFTLGLSA-N -1 1 320.349 0.530 20 0 DCADMM Cc1ccc(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])n1C ZINC001389137312 988887853 /nfs/dbraw/zinc/88/78/53/988887853.db2.gz BXNCKQTYIGCNSQ-SNVBAGLBSA-N -1 1 316.361 0.982 20 0 DCADMM CCn1nccc1C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001389171148 988945969 /nfs/dbraw/zinc/94/59/69/988945969.db2.gz NOHULQQCXRLKNN-SNVBAGLBSA-N -1 1 317.349 0.552 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cccnc3N(C)C)nc2n1 ZINC001527345142 1015451922 /nfs/dbraw/zinc/45/19/22/1015451922.db2.gz UBHNHZUFFHFHLJ-UHFFFAOYSA-N -1 1 313.321 0.439 20 0 DCADMM CCOc1ncccc1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001527345033 1015452276 /nfs/dbraw/zinc/45/22/76/1015452276.db2.gz OUOBFWGBFPTYLY-UHFFFAOYSA-N -1 1 314.305 0.772 20 0 DCADMM CCC[C@@H](C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1)C(C)C ZINC001389484991 989316211 /nfs/dbraw/zinc/31/62/11/989316211.db2.gz JCMFAKBYNKYLDM-CHWSQXEVSA-N -1 1 323.441 0.871 20 0 DCADMM O=C(C[C@H]1CCCO1)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001389590904 989411832 /nfs/dbraw/zinc/41/18/32/989411832.db2.gz TVTLQWXNBSNWMQ-MNOVXSKESA-N -1 1 309.370 0.064 20 0 DCADMM O=C(NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1)C1C=CC=CC=C1 ZINC001389610460 989428706 /nfs/dbraw/zinc/42/87/06/989428706.db2.gz LJDSYPRDMRCWKA-ZDUSSCGKSA-N -1 1 315.377 0.793 20 0 DCADMM CCO[C@H](CC)C(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001390044829 989772408 /nfs/dbraw/zinc/77/24/08/989772408.db2.gz VWASIAYYANDVMP-CYBMUJFWSA-N -1 1 321.377 0.885 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H](CNC(=O)CCC3CC3)C2)nc1=O ZINC001390049550 989775464 /nfs/dbraw/zinc/77/54/64/989775464.db2.gz MCLGRFAHCLUJRX-CYBMUJFWSA-N -1 1 321.425 0.627 20 0 DCADMM CCn1ccc(CC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)n1 ZINC001597904927 989791911 /nfs/dbraw/zinc/79/19/11/989791911.db2.gz RQFGZYIJKUVJHE-GFCCVEGCSA-N -1 1 308.382 0.453 20 0 DCADMM CC(C)(C)O[C@H]1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001590407779 989937094 /nfs/dbraw/zinc/93/70/94/989937094.db2.gz IVUKPUYFZKDCGR-OCAPTIKFSA-N -1 1 318.351 0.997 20 0 DCADMM COC(=O)c1ccc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)o1 ZINC001527691507 1015526209 /nfs/dbraw/zinc/52/62/09/1015526209.db2.gz VMPJNCBRRGKLEV-UHFFFAOYSA-N -1 1 317.261 0.358 20 0 DCADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cocn1 ZINC001390374864 990039042 /nfs/dbraw/zinc/03/90/42/990039042.db2.gz BXUBAFDMATWHMA-VIFPVBQESA-N -1 1 304.306 0.714 20 0 DCADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(C)n[nH]1 ZINC001390377869 990040342 /nfs/dbraw/zinc/04/03/42/990040342.db2.gz HYMQRLWXFMVAAL-JTQLQIEISA-N -1 1 317.349 0.757 20 0 DCADMM C[C@H](CNC(=O)[C@H](C)Cc1ccco1)NCc1n[nH]c(=O)[n-]1 ZINC001390489440 990143354 /nfs/dbraw/zinc/14/33/54/990143354.db2.gz BMINAIFZSRXCER-NXEZZACHSA-N -1 1 307.354 0.576 20 0 DCADMM COCCC(=O)N[C@@](C)(CNC(=O)c1ncccc1[O-])C1CC1 ZINC001390783437 990382327 /nfs/dbraw/zinc/38/23/27/990382327.db2.gz GSYXZDHXUDVGTO-INIZCTEOSA-N -1 1 321.377 0.838 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)CCCC2CC2)nc1=O ZINC001391053537 990545626 /nfs/dbraw/zinc/54/56/26/990545626.db2.gz GUFNXVOUBVHNJJ-ZDUSSCGKSA-N -1 1 321.425 0.769 20 0 DCADMM Cc1nnc([C@@H](C)NCCN(C)C(=O)c2ncccc2[O-])o1 ZINC001391210567 990672217 /nfs/dbraw/zinc/67/22/17/990672217.db2.gz QMXKNVQXCKRYEB-SECBINFHSA-N -1 1 305.338 0.901 20 0 DCADMM CC(C)(N)c1noc(CN(CCC(=O)[O-])C[C@@H]2CCCO2)n1 ZINC001590836793 990699460 /nfs/dbraw/zinc/69/94/60/990699460.db2.gz ZNSOIEBYDHHVEJ-JTQLQIEISA-N -1 1 312.370 0.719 20 0 DCADMM CC(C)(NC(=O)Cc1n[nH]c(C2CC2)n1)c1cc(C(=O)[O-])on1 ZINC001590844212 990713057 /nfs/dbraw/zinc/71/30/57/990713057.db2.gz MFYDPBAOEOFMEX-UHFFFAOYSA-N -1 1 319.321 0.962 20 0 DCADMM O=C(NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc[nH]1 ZINC001391290902 990721763 /nfs/dbraw/zinc/72/17/63/990721763.db2.gz IVVYYOBXSOOMKU-JTQLQIEISA-N -1 1 304.354 0.480 20 0 DCADMM CN(C)C[C@H]1CCCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598208449 990847739 /nfs/dbraw/zinc/84/77/39/990847739.db2.gz ZWVXTRDAAKNQRT-UPJWGTAASA-N -1 1 318.439 0.986 20 0 DCADMM CC(C)[C@@H](O)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001391578006 990972338 /nfs/dbraw/zinc/97/23/38/990972338.db2.gz BPCLJNFGFBGJIJ-SMDDNHRTSA-N -1 1 323.393 0.675 20 0 DCADMM CCCC1(C(=O)N(C)[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)CC1 ZINC001391625950 991029447 /nfs/dbraw/zinc/02/94/47/991029447.db2.gz WDUQILDNEUYFTC-LBPRGKRZSA-N -1 1 321.425 0.721 20 0 DCADMM CC[C@H](CNC(=O)[C@@H]1CCC(F)(F)C1)NCc1n[nH]c(=O)[n-]1 ZINC001391690344 991098942 /nfs/dbraw/zinc/09/89/42/991098942.db2.gz GGNKNQRAKNCZOE-RKDXNWHRSA-N -1 1 317.340 0.930 20 0 DCADMM CCCn1cc(C(=O)NC[C@@H](CC)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001391727782 991139840 /nfs/dbraw/zinc/13/98/40/991139840.db2.gz MDHRNEXWBSRZEG-LLVKDONJSA-N -1 1 321.385 0.415 20 0 DCADMM CN(CCN(C)C(=O)[C@@H]1CC1(F)F)C(=O)c1ncccc1[O-] ZINC001391810435 991196881 /nfs/dbraw/zinc/19/68/81/991196881.db2.gz WZUBHVQEYRQQPJ-VIFPVBQESA-N -1 1 313.304 0.973 20 0 DCADMM Cc1ncsc1C(=O)N(C)[C@@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001392044785 991429533 /nfs/dbraw/zinc/42/95/33/991429533.db2.gz ZOSNZEGHNCOAHH-ZETCQYMHSA-N -1 1 310.383 0.526 20 0 DCADMM Cc1cncc(C(=O)N(C)[C@@H](C)CNCc2n[nH]c(=O)[n-]2)c1 ZINC001392047876 991434128 /nfs/dbraw/zinc/43/41/28/991434128.db2.gz DSYNXBNVXIIADW-JTQLQIEISA-N -1 1 304.354 0.464 20 0 DCADMM COc1ccnc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC001599720714 991532455 /nfs/dbraw/zinc/53/24/55/991532455.db2.gz KLUQBIPSCBOMAJ-DTSKHDKYSA-N -1 1 319.361 0.573 20 0 DCADMM CN(CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)[C@@H]1CCC[C@H]1O ZINC001598380975 991589138 /nfs/dbraw/zinc/58/91/38/991589138.db2.gz UKEUMKBGYJYOCR-JXFSHQFZSA-N -1 1 310.394 0.687 20 0 DCADMM CC(C)[C@@H]1CNCCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001591098244 991698339 /nfs/dbraw/zinc/69/83/39/991698339.db2.gz ABDCQMYDTGKQNR-ZDUSSCGKSA-N -1 1 319.361 0.780 20 0 DCADMM CN(CC(=O)[O-])C(=O)CCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC001598408667 991721512 /nfs/dbraw/zinc/72/15/12/991721512.db2.gz BMOTVRZVLVRNAN-CHWSQXEVSA-N -1 1 314.382 0.189 20 0 DCADMM COc1nc(C(=O)OCc2nc(C(=O)[O-])cs2)cc(=O)[nH]1 ZINC001599731926 991721947 /nfs/dbraw/zinc/72/19/47/991721947.db2.gz MGEZMFSKABVJHU-UHFFFAOYSA-N -1 1 311.275 0.703 20 0 DCADMM CN(CC(C)(C)CNCc1cnon1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001598423397 991760037 /nfs/dbraw/zinc/76/00/37/991760037.db2.gz CYXGKMMVGAGSSE-MNOVXSKESA-N -1 1 310.354 0.365 20 0 DCADMM CN(C[C@@H](O)CN1CC[C@](F)(C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001598435248 991817883 /nfs/dbraw/zinc/81/78/83/991817883.db2.gz DLSMIQRTBNZSHR-QMTHXVAHSA-N -1 1 320.361 0.713 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CCC([C@@H](C)CO)CC1)C(=O)[O-] ZINC001591168429 991947718 /nfs/dbraw/zinc/94/77/18/991947718.db2.gz YDOUKHVQSUATLO-JSGCOSHPSA-N -1 1 314.426 0.942 20 0 DCADMM Cc1coc(C)c1C(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001392644806 992196736 /nfs/dbraw/zinc/19/67/36/992196736.db2.gz WLWBNQLPWXHHIL-JTQLQIEISA-N -1 1 321.381 0.569 20 0 DCADMM Cc1ocnc1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001392774912 992377130 /nfs/dbraw/zinc/37/71/30/992377130.db2.gz RASVUCLDUHDJIK-QMMMGPOBSA-N -1 1 304.306 0.632 20 0 DCADMM CN(Cc1ccc(F)cc1)C(=O)CN1CCN(CC(=O)[O-])CC1 ZINC001598518645 992651396 /nfs/dbraw/zinc/65/13/96/992651396.db2.gz 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DCADMM C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001598598026 993535192 /nfs/dbraw/zinc/53/51/92/993535192.db2.gz FSVLVANGVNEUHA-LZUBYRBGSA-N -1 1 324.377 0.495 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])Cc1nc(C)no1 ZINC001399697431 993681108 /nfs/dbraw/zinc/68/11/08/993681108.db2.gz GTAZIFOUMKZAAQ-UHFFFAOYSA-N -1 1 305.338 0.731 20 0 DCADMM CN1CCN(C(=O)CNCc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001598607163 993685401 /nfs/dbraw/zinc/68/54/01/993685401.db2.gz IWJQXVUJBQQDOQ-UHFFFAOYSA-N -1 1 309.341 0.388 20 0 DCADMM CN1CCN(C)[C@@H](CNC(=O)CCc2ccccc2C(=O)[O-])C1 ZINC001598610283 993755778 /nfs/dbraw/zinc/75/57/78/993755778.db2.gz BWDBPBPZDNKALW-AWEZNQCLSA-N -1 1 319.405 0.679 20 0 DCADMM CN1CCN(C(=O)c2ncn(C(C)(C)C)n2)C[C@@H](C(=O)[O-])C1 ZINC001598612506 993807058 /nfs/dbraw/zinc/80/70/58/993807058.db2.gz UPDRFGNAVZNOLY-JTQLQIEISA-N -1 1 309.370 0.122 20 0 DCADMM CN1CCN(C(=O)c2ccn(CC(F)F)n2)C[C@H](C(=O)[O-])C1 ZINC001598612949 993816974 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311.305 0.357 20 0 DCADMM CC(C)(C(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccccn1 ZINC001464887638 1015965764 /nfs/dbraw/zinc/96/57/64/1015965764.db2.gz XRTQRGBLERMBKC-JTQLQIEISA-N -1 1 302.338 0.472 20 0 DCADMM O=C(NC[C@@H](NC(=O)[C@@H]1CCOC1)C1CC1)c1ncccc1[O-] ZINC001397027385 995751843 /nfs/dbraw/zinc/75/18/43/995751843.db2.gz WURUUWPDHWGPPR-VXGBXAGGSA-N -1 1 319.361 0.448 20 0 DCADMM COC[C@@H](C)CC(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001397190908 995851729 /nfs/dbraw/zinc/85/17/29/995851729.db2.gz HYDCMCCVCLMGDD-SRVKXCTJSA-N -1 1 321.377 0.837 20 0 DCADMM COCc1ccc(C(=O)N(C)C[C@@H](C)NCc2n[nH]c(=O)[n-]2)o1 ZINC001507098583 1015983320 /nfs/dbraw/zinc/98/33/20/1015983320.db2.gz NEQKUAUKFCWWHP-SECBINFHSA-N -1 1 323.353 0.500 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(CCS(=O)(=O)C(C)C)C1 ZINC001598775900 995929540 /nfs/dbraw/zinc/92/95/40/995929540.db2.gz JNOBJMRWNHBGGF-MNOVXSKESA-N -1 1 321.395 0.148 20 0 DCADMM CC(C)C(=O)N[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001397438759 995999654 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316.350 0.484 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCn2ccnc2C1 ZINC000823488638 606559317 /nfs/dbraw/zinc/55/93/17/606559317.db2.gz QUVABGRZRZYISG-UHFFFAOYSA-N -1 1 301.335 0.781 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCn2ccnc2C1 ZINC000823488638 606559318 /nfs/dbraw/zinc/55/93/18/606559318.db2.gz QUVABGRZRZYISG-UHFFFAOYSA-N -1 1 301.335 0.781 20 0 DCADMM Cc1nc2n(n1)CCN(C(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC000822462377 606600756 /nfs/dbraw/zinc/60/07/56/606600756.db2.gz INPUPDMYNTXYCI-UHFFFAOYSA-N -1 1 316.350 0.484 20 0 DCADMM Cc1nc2n(n1)CCN(C(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC000822462377 606600757 /nfs/dbraw/zinc/60/07/57/606600757.db2.gz INPUPDMYNTXYCI-UHFFFAOYSA-N -1 1 316.350 0.484 20 0 DCADMM COC(=O)[C@H]1C[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821653535 606648869 /nfs/dbraw/zinc/64/88/69/606648869.db2.gz DDCJRWDKPZIDNH-DTWKUNHWSA-N -1 1 303.278 0.114 20 0 DCADMM COC(=O)[C@H]1C[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821653535 606648870 /nfs/dbraw/zinc/64/88/70/606648870.db2.gz DDCJRWDKPZIDNH-DTWKUNHWSA-N -1 1 303.278 0.114 20 0 DCADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)CCS1(=O)=O ZINC000820606740 606806859 /nfs/dbraw/zinc/80/68/59/606806859.db2.gz BNKJKBCSRRXUNC-UHFFFAOYSA-N -1 1 308.367 0.275 20 0 DCADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)CCS1(=O)=O ZINC000820606740 606806861 /nfs/dbraw/zinc/80/68/61/606806861.db2.gz BNKJKBCSRRXUNC-UHFFFAOYSA-N -1 1 308.367 0.275 20 0 DCADMM CCC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)cs1)c1nn[n-]n1 ZINC000821023376 606912864 /nfs/dbraw/zinc/91/28/64/606912864.db2.gz YURSUXFTEUGXMZ-SSDOTTSWSA-N -1 1 319.354 0.713 20 0 DCADMM O=S(=O)(CCNc1cccc(-c2nnn[n-]2)n1)CC1CC1 ZINC000823562250 607040672 /nfs/dbraw/zinc/04/06/72/607040672.db2.gz PMAFSWGLWSDKTH-UHFFFAOYSA-N -1 1 308.367 0.498 20 0 DCADMM O=S(=O)(CCNc1cccc(-c2nn[n-]n2)n1)CC1CC1 ZINC000823562250 607040674 /nfs/dbraw/zinc/04/06/74/607040674.db2.gz PMAFSWGLWSDKTH-UHFFFAOYSA-N -1 1 308.367 0.498 20 0 DCADMM COCc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821695740 607207537 /nfs/dbraw/zinc/20/75/37/607207537.db2.gz GRDUDBKDOZPQFP-UHFFFAOYSA-N -1 1 314.309 0.243 20 0 DCADMM C[C@H](c1ccncc1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820570618 607210878 /nfs/dbraw/zinc/21/08/78/607210878.db2.gz OLAFVBMUZSDFQJ-SECBINFHSA-N -1 1 313.325 0.073 20 0 DCADMM CN(C)c1ncc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000825883502 607775111 /nfs/dbraw/zinc/77/51/11/607775111.db2.gz IQMFBCPXXRSKJH-UHFFFAOYSA-N -1 1 311.309 0.370 20 0 DCADMM CN(C)c1ncc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000825883502 607775112 /nfs/dbraw/zinc/77/51/12/607775112.db2.gz IQMFBCPXXRSKJH-UHFFFAOYSA-N -1 1 311.309 0.370 20 0 DCADMM Cn1cnc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826365063 607867848 /nfs/dbraw/zinc/86/78/48/607867848.db2.gz ZYHXTPBGXIGQDM-UHFFFAOYSA-N -1 1 324.297 0.507 20 0 DCADMM Cn1cnc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826365063 607867849 /nfs/dbraw/zinc/86/78/49/607867849.db2.gz ZYHXTPBGXIGQDM-UHFFFAOYSA-N -1 1 324.297 0.507 20 0 DCADMM CN(C)C(=O)Cn1cc(Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000825846119 607898011 /nfs/dbraw/zinc/89/80/11/607898011.db2.gz RVZQEHXYRHOPPH-UHFFFAOYSA-N -1 1 313.325 0.290 20 0 DCADMM CN(C)C(=O)Cn1cc(Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000825846119 607898012 /nfs/dbraw/zinc/89/80/12/607898012.db2.gz RVZQEHXYRHOPPH-UHFFFAOYSA-N -1 1 313.325 0.290 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC000826437915 607989355 /nfs/dbraw/zinc/98/93/55/607989355.db2.gz HEZGWHWWKJPEKI-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC000826437915 607989356 /nfs/dbraw/zinc/98/93/56/607989356.db2.gz HEZGWHWWKJPEKI-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM CSC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC000826227451 607991278 /nfs/dbraw/zinc/99/12/78/607991278.db2.gz RCAKALDRRGNJGR-UHFFFAOYSA-N -1 1 307.383 0.981 20 0 DCADMM CSC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC000826227451 607991279 /nfs/dbraw/zinc/99/12/79/607991279.db2.gz RCAKALDRRGNJGR-UHFFFAOYSA-N -1 1 307.383 0.981 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1CCC(F)(F)CC1 ZINC000826425559 608073703 /nfs/dbraw/zinc/07/37/03/608073703.db2.gz JQXLLKMNRGUZQO-UHFFFAOYSA-N -1 1 312.284 0.152 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccnc(Cl)c1F ZINC000826395750 608120108 /nfs/dbraw/zinc/12/01/08/608120108.db2.gz RKAMKAIZYVWOAN-UHFFFAOYSA-N -1 1 308.664 0.521 20 0 DCADMM COCc1nsc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000826166219 608127343 /nfs/dbraw/zinc/12/73/43/608127343.db2.gz ZKASKSBSEIBRKP-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COCc1nsc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000826166219 608127344 /nfs/dbraw/zinc/12/73/44/608127344.db2.gz ZKASKSBSEIBRKP-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COCCN(CCO)c1snc(Cl)c1-c1nnn[n-]1 ZINC000826158580 608187521 /nfs/dbraw/zinc/18/75/21/608187521.db2.gz UZMLIUQSIFUAHQ-UHFFFAOYSA-N -1 1 304.763 0.422 20 0 DCADMM COCCN(CCO)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826158580 608187522 /nfs/dbraw/zinc/18/75/22/608187522.db2.gz UZMLIUQSIFUAHQ-UHFFFAOYSA-N -1 1 304.763 0.422 20 0 DCADMM CC[C@@H]1CC[C@@H](C)N1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825195851 608237170 /nfs/dbraw/zinc/23/71/70/608237170.db2.gz ZFBOTFSWGZVIEY-RKDXNWHRSA-N -1 1 319.369 0.031 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@]1(O)CCSC1 ZINC000826451126 608244870 /nfs/dbraw/zinc/24/48/70/608244870.db2.gz RAJLUEQWUUSMPG-GFCCVEGCSA-N -1 1 307.335 0.379 20 0 DCADMM NC(=O)c1cccc(CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826393467 608410422 /nfs/dbraw/zinc/41/04/22/608410422.db2.gz TVAUXXUNYYZYEA-UHFFFAOYSA-N -1 1 310.321 0.410 20 0 DCADMM NC(=O)c1cccc(CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826393467 608410424 /nfs/dbraw/zinc/41/04/24/608410424.db2.gz TVAUXXUNYYZYEA-UHFFFAOYSA-N -1 1 310.321 0.410 20 0 DCADMM O=C(CNc1ccc(-c2nnn[n-]2)nn1)N1CCc2ccccc21 ZINC000826414163 608410610 /nfs/dbraw/zinc/41/06/10/608410610.db2.gz IKXLGOKDXKMQRG-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM O=C(CNc1ccc(-c2nn[n-]n2)nn1)N1CCc2ccccc21 ZINC000826414163 608410611 /nfs/dbraw/zinc/41/06/11/608410611.db2.gz IKXLGOKDXKMQRG-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826221975 608423461 /nfs/dbraw/zinc/42/34/61/608423461.db2.gz CQOHVQBVSBWZEP-DTWKUNHWSA-N -1 1 323.382 0.424 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826221975 608423463 /nfs/dbraw/zinc/42/34/63/608423463.db2.gz CQOHVQBVSBWZEP-DTWKUNHWSA-N -1 1 323.382 0.424 20 0 DCADMM C[C@@H]1CCOCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824968988 608424547 /nfs/dbraw/zinc/42/45/47/608424547.db2.gz RUCZAAPKKLAQCB-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM C[C@@H]1CCOCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824968988 608424548 /nfs/dbraw/zinc/42/45/48/608424548.db2.gz RUCZAAPKKLAQCB-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM c1cc(N2CCC[C@@H]([C@@H]3CCOC3)C2)nnc1-c1nnn[n-]1 ZINC000826517370 608436446 /nfs/dbraw/zinc/43/64/46/608436446.db2.gz ZULHNNVZMOYOFA-GHMZBOCLSA-N -1 1 301.354 0.910 20 0 DCADMM c1cc(N2CCC[C@@H]([C@@H]3CCOC3)C2)nnc1-c1nn[n-]n1 ZINC000826517370 608436447 /nfs/dbraw/zinc/43/64/47/608436447.db2.gz ZULHNNVZMOYOFA-GHMZBOCLSA-N -1 1 301.354 0.910 20 0 DCADMM CNC(=O)[C@H]1CCCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC000826060474 608543836 /nfs/dbraw/zinc/54/38/36/608543836.db2.gz NEGBXSMPJIVDSC-JTQLQIEISA-N -1 1 301.354 0.533 20 0 DCADMM COCC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(N)=O ZINC000826155063 608587837 /nfs/dbraw/zinc/58/78/37/608587837.db2.gz FGCFCGNHKNOKKP-ZETCQYMHSA-N -1 1 311.733 0.217 20 0 DCADMM COCC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(N)=O ZINC000826155063 608587838 /nfs/dbraw/zinc/58/78/38/608587838.db2.gz FGCFCGNHKNOKKP-ZETCQYMHSA-N -1 1 311.733 0.217 20 0 DCADMM C[C@H]([C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)o1)S(C)(=O)=O ZINC000824051682 608701167 /nfs/dbraw/zinc/70/11/67/608701167.db2.gz BYALIGKLPGRKNU-DTWKUNHWSA-N -1 1 313.383 0.713 20 0 DCADMM C[C@H]([C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)o1)S(C)(=O)=O ZINC000824051682 608701169 /nfs/dbraw/zinc/70/11/69/608701169.db2.gz BYALIGKLPGRKNU-DTWKUNHWSA-N -1 1 313.383 0.713 20 0 DCADMM c1csc(-c2n[nH]c(Cn3cnc(-c4nn[n-]n4)n3)n2)c1 ZINC000826526074 608756065 /nfs/dbraw/zinc/75/60/65/608756065.db2.gz JZXPMGBIFPTBPB-UHFFFAOYSA-N -1 1 300.311 0.353 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc2ncnn21 ZINC000826451196 609440609 /nfs/dbraw/zinc/44/06/09/609440609.db2.gz VFJAFJRDMSPAQP-UHFFFAOYSA-N -1 1 322.288 0.867 20 0 DCADMM Cc1onc(CC(=O)NCC(C)(C)CCCO)c1-c1nnn[n-]1 ZINC000826346908 609470904 /nfs/dbraw/zinc/47/09/04/609470904.db2.gz YQRHUFXIPLKANF-UHFFFAOYSA-N -1 1 322.369 0.621 20 0 DCADMM Cc1onc(CC(=O)NCC(C)(C)CCCO)c1-c1nn[n-]n1 ZINC000826346908 609470906 /nfs/dbraw/zinc/47/09/06/609470906.db2.gz YQRHUFXIPLKANF-UHFFFAOYSA-N -1 1 322.369 0.621 20 0 DCADMM CCc1nnc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)s1 ZINC000825767079 609484999 /nfs/dbraw/zinc/48/49/99/609484999.db2.gz HBCAMNZCMNZJBF-UHFFFAOYSA-N -1 1 318.366 0.502 20 0 DCADMM Cc1ccncc1C=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826315698 609504204 /nfs/dbraw/zinc/50/42/04/609504204.db2.gz QFZPUSANPDFFAM-ONEGZZNKSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1ccncc1C=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826315698 609504207 /nfs/dbraw/zinc/50/42/07/609504207.db2.gz QFZPUSANPDFFAM-ONEGZZNKSA-N -1 1 310.321 0.956 20 0 DCADMM CC(C)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1=O ZINC000824300474 609607907 /nfs/dbraw/zinc/60/79/07/609607907.db2.gz HQHZTKBEJZYDKG-UHFFFAOYSA-N -1 1 320.378 0.621 20 0 DCADMM CC(C)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1=O ZINC000824300474 609607910 /nfs/dbraw/zinc/60/79/10/609607910.db2.gz HQHZTKBEJZYDKG-UHFFFAOYSA-N -1 1 320.378 0.621 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)C2CCCC2)CCO1 ZINC000979155536 660676641 /nfs/dbraw/zinc/67/66/41/660676641.db2.gz GGLBNOLUNIDYSY-ZYHUDNBSSA-N -1 1 323.397 0.406 20 0 DCADMM Cc1occc1C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001027745119 660689522 /nfs/dbraw/zinc/68/95/22/660689522.db2.gz PPHQIJCOUPTVET-NSHDSACASA-N -1 1 319.365 0.404 20 0 DCADMM Cc1occc1C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001027745118 660689693 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C[C@H](C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1)C1CC1 ZINC000980914969 661043335 /nfs/dbraw/zinc/04/33/35/661043335.db2.gz AMTFXLSRESUBSZ-NSHDSACASA-N -1 1 307.398 0.189 20 0 DCADMM Cc1ocnc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC000981005408 661060843 /nfs/dbraw/zinc/06/08/43/661060843.db2.gz XJIDKKOWHRYXJK-VHSXEESVSA-N -1 1 318.337 0.430 20 0 DCADMM CNC(=O)[C@H](C)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000981026854 661067375 /nfs/dbraw/zinc/06/73/75/661067375.db2.gz NPDFRTQYQBKUKI-NSHDSACASA-N -1 1 306.366 0.070 20 0 DCADMM CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000921379041 665298630 /nfs/dbraw/zinc/29/86/30/665298630.db2.gz PDEVHRMHWGOYMM-NXEZZACHSA-N -1 1 311.425 0.380 20 0 DCADMM COC/C(C)=C\C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869546212 667666658 /nfs/dbraw/zinc/66/66/58/667666658.db2.gz SYYGFVKRQAANOA-YVMONPNESA-N -1 1 311.256 0.760 20 0 DCADMM CC[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccnc1F ZINC000885383620 667672161 /nfs/dbraw/zinc/67/21/61/667672161.db2.gz 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GHJXJAIEIPUHEW-HAQNSBGRSA-N -1 1 305.382 0.203 20 0 DCADMM O=C(CCCc1nn[n-]n1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001446515853 1159446607 /nfs/dbraw/zinc/44/66/07/1159446607.db2.gz IWSDOWLGNUSATB-SNVBAGLBSA-N -1 1 321.362 0.167 20 0 DCADMM C[C@@H](CNC(=O)C[C@H]1CCCO1)CNC(=O)c1ncccc1[O-] ZINC001451488206 1159748566 /nfs/dbraw/zinc/74/85/66/1159748566.db2.gz BSZBBOBUBANXDS-NWDGAFQWSA-N -1 1 321.377 0.838 20 0 DCADMM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001455746184 1159760805 /nfs/dbraw/zinc/76/08/05/1159760805.db2.gz UTYAAQXEELVBKD-SNVBAGLBSA-N -1 1 308.386 0.143 20 0 DCADMM O=C(CCc1nn[n-]n1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC001465401705 1159768381 /nfs/dbraw/zinc/76/83/81/1159768381.db2.gz PDUNEHIUKOIIMD-UHFFFAOYSA-N -1 1 324.348 0.433 20 0 DCADMM O=C(c1ccnc2[nH]c(=O)[nH]c21)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001466291396 1159769647 /nfs/dbraw/zinc/76/96/47/1159769647.db2.gz ZBPJTHCGMAJVLP-SSDOTTSWSA-N -1 1 314.309 0.196 20 0 DCADMM CCCCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001566079898 1159961627 /nfs/dbraw/zinc/96/16/27/1159961627.db2.gz IWFNGNUNGCTCPP-NEPJUHHUSA-N -1 1 309.414 0.768 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC(OCC(N)=O)CC2)c1 ZINC001566112499 1159965310 /nfs/dbraw/zinc/96/53/10/1159965310.db2.gz NQLGIODLUONDHC-UHFFFAOYSA-N -1 1 320.345 0.620 20 0 DCADMM CCN(CCCNC(=O)c1cnc(C)n1C)Cc1n[nH]c(=O)[n-]1 ZINC001566563113 1160063181 /nfs/dbraw/zinc/06/31/81/1160063181.db2.gz PEUGQQZXZNGMKR-UHFFFAOYSA-N -1 1 321.385 0.194 20 0 DCADMM CCN(CCCNC(=O)[C@H]1CCO[C@H]1C)Cc1n[nH]c(=O)[n-]1 ZINC001566570488 1160068554 /nfs/dbraw/zinc/06/85/54/1160068554.db2.gz IMWPLZYTEFCUNP-QWRGUYRKSA-N -1 1 311.386 0.264 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)C1Cc2ccccc2C1 ZINC001567564950 1160423004 /nfs/dbraw/zinc/42/30/04/1160423004.db2.gz JGGTVOGLJACQNO-UHFFFAOYSA-N -1 1 315.377 0.473 20 0 DCADMM COCC[C@@]1(NC(=O)c2ccc3n[n-]c(=S)n3c2)CCOC1 ZINC001568163287 1160588220 /nfs/dbraw/zinc/58/82/20/1160588220.db2.gz ZVQXDWKEWUIYKG-CQSZACIVSA-N -1 1 322.390 0.943 20 0 DCADMM O=C(N[C@H](CO)c1ccccn1)c1ccc2n[n-]c(=S)n2c1 ZINC001569614887 1161165041 /nfs/dbraw/zinc/16/50/41/1161165041.db2.gz FQUCJTZSFRCZCA-LLVKDONJSA-N -1 1 315.358 0.876 20 0 DCADMM Cc1c[nH]c(C(=O)N2CC[C@H](CCNCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001570008053 1161378715 /nfs/dbraw/zinc/37/87/15/1161378715.db2.gz DCKIZZDKFKHHLN-JTQLQIEISA-N -1 1 319.369 0.184 20 0 DCADMM C[C@@H](NC(=O)c1nc[nH]c(=O)c1Br)[C@@H](C)C(=O)[O-] ZINC001573571399 1163504682 /nfs/dbraw/zinc/50/46/82/1163504682.db2.gz IIPXUESCXWQPIC-RFZPGFLSSA-N -1 1 318.127 0.784 20 0 DCADMM CNC(=O)[C@@H](NCc1cnc2c(C(=O)[O-])cnn2c1)C(C)C ZINC001573889975 1163578799 /nfs/dbraw/zinc/57/87/99/1163578799.db2.gz FPFMDKNIMYJZPM-NSHDSACASA-N -1 1 305.338 0.288 20 0 DCADMM COC(=O)C[C@H](C)C(=O)N1CC[C@@H](c2[nH]ncc2C(=O)[O-])C1 ZINC001573915120 1163583651 /nfs/dbraw/zinc/58/36/51/1163583651.db2.gz RRALGQOSHWWASE-DTWKUNHWSA-N -1 1 309.322 0.623 20 0 DCADMM CC(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573950201 1163598572 /nfs/dbraw/zinc/59/85/72/1163598572.db2.gz PTQQGXRCHUAQMR-KOLCDFICSA-N -1 1 316.369 0.572 20 0 DCADMM CC(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573950201 1163598575 /nfs/dbraw/zinc/59/85/75/1163598575.db2.gz PTQQGXRCHUAQMR-KOLCDFICSA-N -1 1 316.369 0.572 20 0 DCADMM CSCc1n[nH]c(CNC(=O)N[C@H]2CC=C(C(=O)[O-])C2)n1 ZINC001574096520 1163633720 /nfs/dbraw/zinc/63/37/20/1163633720.db2.gz ORHQSWUGZDDBKR-QMMMGPOBSA-N -1 1 311.367 0.640 20 0 DCADMM CSCc1nnc(CNC(=O)N[C@H]2CC=C(C(=O)[O-])C2)[nH]1 ZINC001574096520 1163633725 /nfs/dbraw/zinc/63/37/25/1163633725.db2.gz ORHQSWUGZDDBKR-QMMMGPOBSA-N -1 1 311.367 0.640 20 0 DCADMM Cc1[nH]nc(S(=O)(=O)N2CCN[C@H](C(C)C)C2)c1C(=O)[O-] ZINC001574182051 1163653664 /nfs/dbraw/zinc/65/36/64/1163653664.db2.gz HYFWEDBNKRLPFO-VIFPVBQESA-N -1 1 316.383 0.035 20 0 DCADMM Nc1cn[nH]c1[C@H]1CCN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC001574291386 1163683694 /nfs/dbraw/zinc/68/36/94/1163683694.db2.gz GUUOLWBWQJGIAT-JTQLQIEISA-N -1 1 307.354 0.698 20 0 DCADMM O=C([O-])N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC001574293181 1163685840 /nfs/dbraw/zinc/68/58/40/1163685840.db2.gz WMMVAFUKJQXGPO-RKDXNWHRSA-N -1 1 311.367 0.564 20 0 DCADMM O=C([O-])[C@@H](NC(=O)c1cccc(F)c1O)[C@@H](O)c1ccncc1 ZINC001574309354 1163694071 /nfs/dbraw/zinc/69/40/71/1163694071.db2.gz VUYDTKZKGRISRA-RYUDHWBXSA-N -1 1 320.276 0.843 20 0 DCADMM CC(C)O[C@H]1C[C@@H](NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001574341439 1163698949 /nfs/dbraw/zinc/69/89/49/1163698949.db2.gz YBWXKVOZOXKOBH-BBBLOLIVSA-N -1 1 320.357 0.091 20 0 DCADMM O=C([O-])[C@]1(CNS(=O)(=O)c2ccccc2O)CCCOC1 ZINC001574351923 1163701577 /nfs/dbraw/zinc/70/15/77/1163701577.db2.gz AXXHVDXCOHRHSE-ZDUSSCGKSA-N -1 1 315.347 0.552 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@@H]1CCN(C(=O)c2cc(CO)on2)C1 ZINC001574414563 1163717254 /nfs/dbraw/zinc/71/72/54/1163717254.db2.gz FDRKHMWQPKQWGL-SSDOTTSWSA-N -1 1 306.278 0.218 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001574429978 1163721887 /nfs/dbraw/zinc/72/18/87/1163721887.db2.gz BSJOJUQDGZESQI-NXEZZACHSA-N -1 1 320.349 0.340 20 0 DCADMM O=C([O-])c1csc(N2CCN(C[C@@H]3CNC(=O)C3)CC2)n1 ZINC001574431320 1163722870 /nfs/dbraw/zinc/72/28/70/1163722870.db2.gz WJVGGXKBYBYQPZ-VIFPVBQESA-N -1 1 310.379 0.099 20 0 DCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CCC1 ZINC001574673622 1163739633 /nfs/dbraw/zinc/73/96/33/1163739633.db2.gz ICYYBLUUUDBJLY-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CCC1 ZINC001574673622 1163739642 /nfs/dbraw/zinc/73/96/42/1163739642.db2.gz ICYYBLUUUDBJLY-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1C[C@@H]1C ZINC001574823290 1163760525 /nfs/dbraw/zinc/76/05/25/1163760525.db2.gz CNSUVPCMUHJZCA-GUBZILKMSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1C[C@@H]1C ZINC001574823290 1163760531 /nfs/dbraw/zinc/76/05/31/1163760531.db2.gz CNSUVPCMUHJZCA-GUBZILKMSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574833008 1163764152 /nfs/dbraw/zinc/76/41/52/1163764152.db2.gz YHCNHRBXPJIFJS-VIFPVBQESA-N -1 1 318.385 0.644 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574833008 1163764161 /nfs/dbraw/zinc/76/41/61/1163764161.db2.gz YHCNHRBXPJIFJS-VIFPVBQESA-N -1 1 318.385 0.644 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574846192 1163769282 /nfs/dbraw/zinc/76/92/82/1163769282.db2.gz KNYOXCRPHVMNIQ-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC1(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574862820 1163775958 /nfs/dbraw/zinc/77/59/58/1163775958.db2.gz VWIHLBMKMXGREZ-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC1(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574862820 1163775962 /nfs/dbraw/zinc/77/59/62/1163775962.db2.gz VWIHLBMKMXGREZ-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC1(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574862822 1163777246 /nfs/dbraw/zinc/77/72/46/1163777246.db2.gz VWIHLBMKMXGREZ-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC1(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574862822 1163777250 /nfs/dbraw/zinc/77/72/50/1163777250.db2.gz VWIHLBMKMXGREZ-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)CC1(C)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574894268 1163790340 /nfs/dbraw/zinc/79/03/40/1163790340.db2.gz FZWKSWNSSZVVNM-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)CC1(C)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574894268 1163790346 /nfs/dbraw/zinc/79/03/46/1163790346.db2.gz FZWKSWNSSZVVNM-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H]1C[C@H](C(=O)NCCNC(=O)c2ncccc2[O-])CCO1 ZINC001575058157 1163872009 /nfs/dbraw/zinc/87/20/09/1163872009.db2.gz JOPUDKWDVQWBFL-NEPJUHHUSA-N -1 1 321.377 0.838 20 0 DCADMM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1csnn1 ZINC001575302649 1163966770 /nfs/dbraw/zinc/96/67/70/1163966770.db2.gz KAAUUGSFEMUJCK-ZCFIWIBFSA-N -1 1 317.338 0.996 20 0 DCADMM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1csnn1 ZINC001575302649 1163966774 /nfs/dbraw/zinc/96/67/74/1163966774.db2.gz KAAUUGSFEMUJCK-ZCFIWIBFSA-N -1 1 317.338 0.996 20 0 DCADMM C[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1ccnn1C ZINC001575300822 1163966848 /nfs/dbraw/zinc/96/68/48/1163966848.db2.gz BMSKUVNJQHYHAS-MRVPVSSYSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1ccnn1C ZINC001575300822 1163966856 /nfs/dbraw/zinc/96/68/56/1163966856.db2.gz BMSKUVNJQHYHAS-MRVPVSSYSA-N -1 1 313.325 0.878 20 0 DCADMM CC1(C)OC[C@@H](Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)O1 ZINC001575752005 1164134945 /nfs/dbraw/zinc/13/49/45/1164134945.db2.gz MEASVNGKSGMIGL-SNVBAGLBSA-N -1 1 317.349 0.669 20 0 DCADMM Cc1ncoc1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001575767503 1164142790 /nfs/dbraw/zinc/14/27/90/1164142790.db2.gz QROPJAOUQHFUNG-UHFFFAOYSA-N -1 1 304.306 0.634 20 0 DCADMM O=C(CC1(O)CCC1)NCCCNC(=O)c1ncccc1[O-] ZINC001575794510 1164152735 /nfs/dbraw/zinc/15/27/35/1164152735.db2.gz DEOSAACMTIDBMF-UHFFFAOYSA-N -1 1 307.350 0.328 20 0 DCADMM COCC1(C(=O)NCCCNC(=O)c2ncccc2[O-])CC1 ZINC001575795101 1164154692 /nfs/dbraw/zinc/15/46/92/1164154692.db2.gz SVEIRJMFGFXBNC-UHFFFAOYSA-N -1 1 307.350 0.450 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)Cc2cncnc21 ZINC001576311679 1164297823 /nfs/dbraw/zinc/29/78/23/1164297823.db2.gz GAHOOMDFYMOMOY-SECBINFHSA-N -1 1 322.332 0.811 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)Cc2cncnc21 ZINC001576311679 1164297832 /nfs/dbraw/zinc/29/78/32/1164297832.db2.gz GAHOOMDFYMOMOY-SECBINFHSA-N -1 1 322.332 0.811 20 0 DCADMM CCC(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001576412782 1164332679 /nfs/dbraw/zinc/33/26/79/1164332679.db2.gz YPVOIFKOWRNVSP-SNVBAGLBSA-N -1 1 316.369 0.138 20 0 DCADMM CCC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576417005 1164337132 /nfs/dbraw/zinc/33/71/32/1164337132.db2.gz VFTSKCKJYBNDIG-SNVBAGLBSA-N -1 1 316.369 0.139 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576440803 1164345406 /nfs/dbraw/zinc/34/54/06/1164345406.db2.gz MIFKEAVRJOBJKD-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576440803 1164345413 /nfs/dbraw/zinc/34/54/13/1164345413.db2.gz MIFKEAVRJOBJKD-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001576446323 1164347614 /nfs/dbraw/zinc/34/76/14/1164347614.db2.gz YPIHIOTYJBEWSQ-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001576446323 1164347618 /nfs/dbraw/zinc/34/76/18/1164347618.db2.gz YPIHIOTYJBEWSQ-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001576445567 1164347752 /nfs/dbraw/zinc/34/77/52/1164347752.db2.gz SOKIJECJRGWABO-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001576445567 1164347754 /nfs/dbraw/zinc/34/77/54/1164347754.db2.gz SOKIJECJRGWABO-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001576444895 1164348582 /nfs/dbraw/zinc/34/85/82/1164348582.db2.gz MRVXRGFAFPDCAN-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576475784 1164358965 /nfs/dbraw/zinc/35/89/65/1164358965.db2.gz JSBILVQVEVZYQI-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576475784 1164358975 /nfs/dbraw/zinc/35/89/75/1164358975.db2.gz JSBILVQVEVZYQI-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576565443 1164392534 /nfs/dbraw/zinc/39/25/34/1164392534.db2.gz WOFBYYATBCHDIX-SNVBAGLBSA-N -1 1 318.385 0.597 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576565443 1164392543 /nfs/dbraw/zinc/39/25/43/1164392543.db2.gz WOFBYYATBCHDIX-SNVBAGLBSA-N -1 1 318.385 0.597 20 0 DCADMM CC[C@@H](C)[C@H](O)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001576609731 1164411464 /nfs/dbraw/zinc/41/14/64/1164411464.db2.gz DQJBTHXNJBNLLS-GMSGAONNSA-N -1 1 320.353 0.413 20 0 DCADMM CC[C@H](C)CC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576618172 1164413847 /nfs/dbraw/zinc/41/38/47/1164413847.db2.gz RSHLBGVDMQOZKX-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)CC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576618172 1164413850 /nfs/dbraw/zinc/41/38/50/1164413850.db2.gz RSHLBGVDMQOZKX-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](CNC(=O)C(C)(C)F)Nc1nccnc1-c1nnn[n-]1 ZINC001576767636 1164456261 /nfs/dbraw/zinc/45/62/61/1164456261.db2.gz WNOMZHNFSKUBLV-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](CNC(=O)C(C)(C)F)Nc1nccnc1-c1nn[n-]n1 ZINC001576767636 1164456267 /nfs/dbraw/zinc/45/62/67/1164456267.db2.gz WNOMZHNFSKUBLV-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](CNC(=O)C1CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001576789034 1164463742 /nfs/dbraw/zinc/46/37/42/1164463742.db2.gz FEMQPSAOJFPLNB-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)C1CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001576789034 1164463747 /nfs/dbraw/zinc/46/37/47/1164463747.db2.gz FEMQPSAOJFPLNB-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576965909 1164559228 /nfs/dbraw/zinc/55/92/28/1164559228.db2.gz MMRNKKFFNGLLJF-HRDYMLBCSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576965909 1164559232 /nfs/dbraw/zinc/55/92/32/1164559232.db2.gz MMRNKKFFNGLLJF-HRDYMLBCSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1noc(C)n1 ZINC001576977204 1164568504 /nfs/dbraw/zinc/56/85/04/1164568504.db2.gz CNIRBSZQDPJANF-QMMMGPOBSA-N -1 1 314.309 0.834 20 0 DCADMM CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1noc(C)n1 ZINC001576977204 1164568513 /nfs/dbraw/zinc/56/85/13/1164568513.db2.gz CNIRBSZQDPJANF-QMMMGPOBSA-N -1 1 314.309 0.834 20 0 DCADMM CCC1(C(=O)N[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001577102265 1164603348 /nfs/dbraw/zinc/60/33/48/1164603348.db2.gz KTELQKWDXXLFDI-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)N[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001577102265 1164603351 /nfs/dbraw/zinc/60/33/51/1164603351.db2.gz KTELQKWDXXLFDI-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001577194534 1164629771 /nfs/dbraw/zinc/62/97/71/1164629771.db2.gz LOQQMRMRIVELFQ-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001577194534 1164629772 /nfs/dbraw/zinc/62/97/72/1164629772.db2.gz LOQQMRMRIVELFQ-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577198548 1164630919 /nfs/dbraw/zinc/63/09/19/1164630919.db2.gz WUULVNNJIGBWLC-JTQLQIEISA-N -1 1 316.369 0.282 20 0 DCADMM CCCC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001577203417 1164633388 /nfs/dbraw/zinc/63/33/88/1164633388.db2.gz YAOXOJVJNLTBIT-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001577203417 1164633392 /nfs/dbraw/zinc/63/33/92/1164633392.db2.gz YAOXOJVJNLTBIT-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NCCN(CC)c1nccnc1-c1nnn[n-]1 ZINC001577218979 1164640719 /nfs/dbraw/zinc/64/07/19/1164640719.db2.gz REDYBYDGBCYQML-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCCC(=O)NCCN(CC)c1nccnc1-c1nn[n-]n1 ZINC001577218979 1164640720 /nfs/dbraw/zinc/64/07/20/1164640720.db2.gz REDYBYDGBCYQML-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCCCC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001577396393 1164683773 /nfs/dbraw/zinc/68/37/73/1164683773.db2.gz PXSNOBQKSXOIJD-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCCC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001577396393 1164683776 /nfs/dbraw/zinc/68/37/76/1164683776.db2.gz PXSNOBQKSXOIJD-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCN(CCNC(=O)C1CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001577591950 1164732704 /nfs/dbraw/zinc/73/27/04/1164732704.db2.gz WORZWUXZXHRMLJ-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCCN(CCNC(=O)C1CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001577591950 1164732713 /nfs/dbraw/zinc/73/27/13/1164732713.db2.gz WORZWUXZXHRMLJ-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)C1(C)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001577933102 1164848434 /nfs/dbraw/zinc/84/84/34/1164848434.db2.gz ROFQKJVVEAQMGC-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)C1(C)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001577933102 1164848443 /nfs/dbraw/zinc/84/84/43/1164848443.db2.gz ROFQKJVVEAQMGC-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)C1CCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001577946875 1164857102 /nfs/dbraw/zinc/85/71/02/1164857102.db2.gz OSKWULSSVYQVSB-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)C1CCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001577946875 1164857110 /nfs/dbraw/zinc/85/71/10/1164857110.db2.gz OSKWULSSVYQVSB-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCO[C@H]1COCC[C@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001578340996 1164977635 /nfs/dbraw/zinc/97/76/35/1164977635.db2.gz JNGVKPRCWZVGOY-WPRPVWTQSA-N -1 1 321.341 0.360 20 0 DCADMM CCO[C@@H]1CCC[C@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001578379011 1164991421 /nfs/dbraw/zinc/99/14/21/1164991421.db2.gz XSDCGVOLFPLKQB-MWLCHTKSSA-N -1 1 320.353 0.779 20 0 DCADMM CCO[C@@H]1CCC[C@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001578379011 1164991427 /nfs/dbraw/zinc/99/14/27/1164991427.db2.gz XSDCGVOLFPLKQB-MWLCHTKSSA-N -1 1 320.353 0.779 20 0 DCADMM CCO[C@@H]1CCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001578380191 1164992865 /nfs/dbraw/zinc/99/28/65/1164992865.db2.gz BVVJCNYQIOHXQW-HTQZYQBOSA-N -1 1 321.341 0.036 20 0 DCADMM CCO[C@@]1(C)C[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001578383119 1164994576 /nfs/dbraw/zinc/99/45/76/1164994576.db2.gz AESUTKBIEHMIRP-MFKMUULPSA-N -1 1 303.326 0.951 20 0 DCADMM CCO[C@@]1(C)C[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001578383119 1164994580 /nfs/dbraw/zinc/99/45/80/1164994580.db2.gz AESUTKBIEHMIRP-MFKMUULPSA-N -1 1 303.326 0.951 20 0 DCADMM CCn1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)ccc1=O ZINC001578759018 1165097471 /nfs/dbraw/zinc/09/74/71/1165097471.db2.gz CDCMTMVJNDVVPH-UHFFFAOYSA-N -1 1 300.278 0.894 20 0 DCADMM CCn1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)ccc1=O ZINC001578759018 1165097476 /nfs/dbraw/zinc/09/74/76/1165097476.db2.gz CDCMTMVJNDVVPH-UHFFFAOYSA-N -1 1 300.278 0.894 20 0 DCADMM CCn1ccc(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)n1 ZINC001578769971 1165100444 /nfs/dbraw/zinc/10/04/44/1165100444.db2.gz DRFAYQZJSSESMF-UHFFFAOYSA-N -1 1 314.309 0.739 20 0 DCADMM CN(C)C(=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001578955996 1165169096 /nfs/dbraw/zinc/16/90/96/1165169096.db2.gz RYJNTNFAAISGQC-QMMMGPOBSA-N -1 1 320.378 0.479 20 0 DCADMM CN(C)C(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001578955996 1165169100 /nfs/dbraw/zinc/16/91/00/1165169100.db2.gz RYJNTNFAAISGQC-QMMMGPOBSA-N -1 1 320.378 0.479 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)[C@H]1CC1(F)F ZINC001579210699 1165239464 /nfs/dbraw/zinc/23/94/64/1165239464.db2.gz GFZWJVYTYMBMKM-SSDOTTSWSA-N -1 1 324.295 0.182 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)[C@H]1CC1(F)F ZINC001579210699 1165239470 /nfs/dbraw/zinc/23/94/70/1165239470.db2.gz GFZWJVYTYMBMKM-SSDOTTSWSA-N -1 1 324.295 0.182 20 0 DCADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001579286123 1165259464 /nfs/dbraw/zinc/25/94/64/1165259464.db2.gz CBJXNAVGYUITTF-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001579286123 1165259471 /nfs/dbraw/zinc/25/94/71/1165259471.db2.gz CBJXNAVGYUITTF-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM CN1C(=O)Cc2cc(CNc3nccnc3-c3nnn[n-]3)ccc21 ZINC001579308110 1165266805 /nfs/dbraw/zinc/26/68/05/1165266805.db2.gz BCCKZRLOGCUBSK-UHFFFAOYSA-N -1 1 322.332 0.788 20 0 DCADMM CN1C(=O)Cc2cc(CNc3nccnc3-c3nn[n-]n3)ccc21 ZINC001579308110 1165266810 /nfs/dbraw/zinc/26/68/10/1165266810.db2.gz BCCKZRLOGCUBSK-UHFFFAOYSA-N -1 1 322.332 0.788 20 0 DCADMM CN1C(=O)Cc2cc(CNc3ccnc(-c4nn[n-]n4)n3)ccc21 ZINC001579308151 1165267248 /nfs/dbraw/zinc/26/72/48/1165267248.db2.gz DIOQQAPHSDQDJA-UHFFFAOYSA-N -1 1 322.332 0.210 20 0 DCADMM CNC(=O)N[C@@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001579403324 1165300681 /nfs/dbraw/zinc/30/06/81/1165300681.db2.gz ZPDCFFZREXHKQW-SSDOTTSWSA-N -1 1 321.366 0.072 20 0 DCADMM CNC(=O)N[C@@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001579403324 1165300686 /nfs/dbraw/zinc/30/06/86/1165300686.db2.gz ZPDCFFZREXHKQW-SSDOTTSWSA-N -1 1 321.366 0.072 20 0 DCADMM COC(=O)C[C@@H](C)CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001579445067 1165312574 /nfs/dbraw/zinc/31/25/74/1165312574.db2.gz BIPWCOAGWDFFHR-VIFPVBQESA-N -1 1 318.337 0.467 20 0 DCADMM COC(=O)C[C@@H](C)CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001579445067 1165312581 /nfs/dbraw/zinc/31/25/81/1165312581.db2.gz BIPWCOAGWDFFHR-VIFPVBQESA-N -1 1 318.337 0.467 20 0 DCADMM COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C1 ZINC001579446869 1165312756 /nfs/dbraw/zinc/31/27/56/1165312756.db2.gz RUHUNVULAAKTJT-RGOKHQFPSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C1 ZINC001579446869 1165312762 /nfs/dbraw/zinc/31/27/62/1165312762.db2.gz RUHUNVULAAKTJT-RGOKHQFPSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)[C@@H]1OCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001579471945 1165322909 /nfs/dbraw/zinc/32/29/09/1165322909.db2.gz NVZORHDJACDRLM-VXNVDRBHSA-N -1 1 324.366 0.622 20 0 DCADMM COC(=O)c1ccc(N(C)Cc2ncc[nH]2)c(-c2nnn[n-]2)n1 ZINC001579482443 1165327141 /nfs/dbraw/zinc/32/71/41/1165327141.db2.gz JSCXYNPJXHOXGF-UHFFFAOYSA-N -1 1 314.309 0.408 20 0 DCADMM COC(=O)c1ccc(N(C)Cc2ncc[nH]2)c(-c2nn[n-]n2)n1 ZINC001579482443 1165327147 /nfs/dbraw/zinc/32/71/47/1165327147.db2.gz JSCXYNPJXHOXGF-UHFFFAOYSA-N -1 1 314.309 0.408 20 0 DCADMM COC(=O)c1cn(C)nc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579489100 1165330221 /nfs/dbraw/zinc/33/02/21/1165330221.db2.gz MRMXCVYKKBVBLT-UHFFFAOYSA-N -1 1 317.265 0.232 20 0 DCADMM COC(=O)c1cn(C)nc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579489100 1165330225 /nfs/dbraw/zinc/33/02/25/1165330225.db2.gz MRMXCVYKKBVBLT-UHFFFAOYSA-N -1 1 317.265 0.232 20 0 DCADMM CO[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC001579526520 1165338957 /nfs/dbraw/zinc/33/89/57/1165338957.db2.gz PMAQSTYBCZLOGW-KCJUWKMLSA-N -1 1 323.378 0.596 20 0 DCADMM COCCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001579765232 1165391272 /nfs/dbraw/zinc/39/12/72/1165391272.db2.gz PQZIHGGGOJFNQQ-UHFFFAOYSA-N -1 1 322.394 0.265 20 0 DCADMM COc1c(F)nccc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001579875367 1165420336 /nfs/dbraw/zinc/42/03/36/1165420336.db2.gz YHDUHZOTLVBDHA-UHFFFAOYSA-N -1 1 304.245 0.385 20 0 DCADMM COc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)ncn1 ZINC001579909814 1165432760 /nfs/dbraw/zinc/43/27/60/1165432760.db2.gz HRYCOYUCPVONMU-UHFFFAOYSA-N -1 1 318.322 0.052 20 0 DCADMM COc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)ncn1 ZINC001579909814 1165432766 /nfs/dbraw/zinc/43/27/66/1165432766.db2.gz HRYCOYUCPVONMU-UHFFFAOYSA-N -1 1 318.322 0.052 20 0 DCADMM COc1ccccc1OCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001580083386 1165495348 /nfs/dbraw/zinc/49/53/48/1165495348.db2.gz HUAIIHVOLMZFGN-UHFFFAOYSA-N -1 1 315.293 0.616 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C[C@@H](C)C1=O ZINC001580327891 1165572999 /nfs/dbraw/zinc/57/29/99/1165572999.db2.gz FQISQXFMUOLHBU-RKDXNWHRSA-N -1 1 315.337 0.951 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C[C@@H](C)C1=O ZINC001580327891 1165573005 /nfs/dbraw/zinc/57/30/05/1165573005.db2.gz FQISQXFMUOLHBU-RKDXNWHRSA-N -1 1 315.337 0.951 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CC1(C)C ZINC001580413387 1165596001 /nfs/dbraw/zinc/59/60/01/1165596001.db2.gz IJBFIBIMZFVEEU-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CC1(C)C ZINC001580413387 1165596005 /nfs/dbraw/zinc/59/60/05/1165596005.db2.gz IJBFIBIMZFVEEU-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cncc(Cl)n2)nn1C ZINC001580524084 1165629319 /nfs/dbraw/zinc/62/93/19/1165629319.db2.gz RSCFLBCKMOJOBZ-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cncc(Cl)n2)nn1C ZINC001580524084 1165629323 /nfs/dbraw/zinc/62/93/23/1165629323.db2.gz RSCFLBCKMOJOBZ-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)CC1(CO)CC1 ZINC001580596317 1165649896 /nfs/dbraw/zinc/64/98/96/1165649896.db2.gz RWDLKKSFISFBIJ-UHFFFAOYSA-N -1 1 318.337 0.120 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@@H](O)C(C)(C)C1 ZINC001580597252 1165650061 /nfs/dbraw/zinc/65/00/61/1165650061.db2.gz FPEAEKISGKMCBU-SECBINFHSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@H](O)CC[C@H]1C ZINC001580599799 1165651706 /nfs/dbraw/zinc/65/17/06/1165651706.db2.gz GIHCQPXAINUNMG-RKDXNWHRSA-N -1 1 318.337 0.261 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC001580599966 1165651741 /nfs/dbraw/zinc/65/17/41/1165651741.db2.gz ISKJDQPKVCQWDO-UHFFFAOYSA-N -1 1 317.353 0.100 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1Cc2c[nH]nc2C1 ZINC001580599645 1165651909 /nfs/dbraw/zinc/65/19/09/1165651909.db2.gz DBRQSGQFEWZDSW-UHFFFAOYSA-N -1 1 312.293 0.155 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CCOC[C@@H]1C ZINC001580600801 1165651981 /nfs/dbraw/zinc/65/19/81/1165651981.db2.gz IODVDMVIPNQSAO-WPRPVWTQSA-N -1 1 318.337 0.431 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCCOCC1 ZINC001580604019 1165652575 /nfs/dbraw/zinc/65/25/75/1165652575.db2.gz ZDKZVQJSDFFVQC-SECBINFHSA-N -1 1 318.337 0.575 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)C(C)C)C2)n1 ZINC001580655797 1165676274 /nfs/dbraw/zinc/67/62/74/1165676274.db2.gz DSAUDVJQLGJHSE-JTQLQIEISA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)C(C)C)C2)n1 ZINC001580655797 1165676288 /nfs/dbraw/zinc/67/62/88/1165676288.db2.gz DSAUDVJQLGJHSE-JTQLQIEISA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cnc(CCNC(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001581318039 1165811865 /nfs/dbraw/zinc/81/18/65/1165811865.db2.gz PZDURQDAOCNTJZ-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1csc(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001581386064 1165819506 /nfs/dbraw/zinc/81/95/06/1165819506.db2.gz STADSUARIPATCW-QMMMGPOBSA-N -1 1 318.366 0.706 20 0 DCADMM Cc1nn(C)c(C)c1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001581590992 1165846373 /nfs/dbraw/zinc/84/63/73/1165846373.db2.gz WQGHZUUCVQVSTG-UHFFFAOYSA-N -1 1 315.341 0.132 20 0 DCADMM Cc1nn(C)c(C)c1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001581590992 1165846381 /nfs/dbraw/zinc/84/63/81/1165846381.db2.gz WQGHZUUCVQVSTG-UHFFFAOYSA-N -1 1 315.341 0.132 20 0 DCADMM Cc1nn(C)c(NC(=O)COc2cccnc2)c1-c1nnn[n-]1 ZINC001581593802 1165846740 /nfs/dbraw/zinc/84/67/40/1165846740.db2.gz UITUZUIKOIRMFS-UHFFFAOYSA-N -1 1 314.309 0.321 20 0 DCADMM Cc1nn(C)c(NC(=O)COc2cccnc2)c1-c1nn[n-]n1 ZINC001581593802 1165846754 /nfs/dbraw/zinc/84/67/54/1165846754.db2.gz UITUZUIKOIRMFS-UHFFFAOYSA-N -1 1 314.309 0.321 20 0 DCADMM Cc1nsc(NC(=O)NCC[S@](C)=O)c1-c1nn[n-]n1 ZINC001581685567 1165859162 /nfs/dbraw/zinc/85/91/62/1165859162.db2.gz ORKCLUXUXDSZRA-FQEVSTJZSA-N -1 1 315.384 0.132 20 0 DCADMM Cc1nsc(NC(=O)NCC[S@](C)=O)c1-c1nnn[n-]1 ZINC001581685567 1165859155 /nfs/dbraw/zinc/85/91/55/1165859155.db2.gz ORKCLUXUXDSZRA-FQEVSTJZSA-N -1 1 315.384 0.132 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)C1CCS(=O)CC1 ZINC001581726599 1165862365 /nfs/dbraw/zinc/86/23/65/1165862365.db2.gz KRHRXVPXEJUVGN-UHFFFAOYSA-N -1 1 323.378 0.751 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)C1CCS(=O)CC1 ZINC001581726599 1165862368 /nfs/dbraw/zinc/86/23/68/1165862368.db2.gz KRHRXVPXEJUVGN-UHFFFAOYSA-N -1 1 323.378 0.751 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC001581727455 1165862608 /nfs/dbraw/zinc/86/26/08/1165862608.db2.gz YCRJJSVKALNLAB-CYBMUJFWSA-N -1 1 304.310 0.167 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC001581727455 1165862613 /nfs/dbraw/zinc/86/26/13/1165862613.db2.gz YCRJJSVKALNLAB-CYBMUJFWSA-N -1 1 304.310 0.167 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H](C)[C@H]2CO)c1-c1nnn[n-]1 ZINC001581739128 1165863540 /nfs/dbraw/zinc/86/35/40/1165863540.db2.gz KUKGERXYUYXIRV-LDYMZIIASA-N -1 1 320.353 0.325 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H](C)[C@H]2CO)c1-c1nn[n-]n1 ZINC001581739128 1165863545 /nfs/dbraw/zinc/86/35/45/1165863545.db2.gz KUKGERXYUYXIRV-LDYMZIIASA-N -1 1 320.353 0.325 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H](CO)[C@@H]2C)c1-c1nnn[n-]1 ZINC001581739285 1165865619 /nfs/dbraw/zinc/86/56/19/1165865619.db2.gz ONBXQINFNQYBPQ-WCBMZHEXSA-N -1 1 320.353 0.325 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H](CO)[C@@H]2C)c1-c1nn[n-]n1 ZINC001581739285 1165865621 /nfs/dbraw/zinc/86/56/21/1165865621.db2.gz ONBXQINFNQYBPQ-WCBMZHEXSA-N -1 1 320.353 0.325 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2C[C@H]2c2ccco2)n1 ZINC001581753991 1165867359 /nfs/dbraw/zinc/86/73/59/1165867359.db2.gz BJFQEJGWIHCSKG-VXNVDRBHSA-N -1 1 314.309 0.871 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2C[C@H]2c2ccco2)n1 ZINC001581753991 1165867363 /nfs/dbraw/zinc/86/73/63/1165867363.db2.gz BJFQEJGWIHCSKG-VXNVDRBHSA-N -1 1 314.309 0.871 20 0 DCADMM Cn1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)c(C(N)=O)n1 ZINC001581775339 1165874923 /nfs/dbraw/zinc/87/49/23/1165874923.db2.gz VLKIGPCLDQFEJW-UHFFFAOYSA-N -1 1 318.322 0.013 20 0 DCADMM Cn1cnc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)n1 ZINC001581808106 1165879907 /nfs/dbraw/zinc/87/99/07/1165879907.db2.gz LJJPMMOKCWNWST-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM Cn1cnc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)n1 ZINC001581808106 1165879910 /nfs/dbraw/zinc/87/99/10/1165879910.db2.gz LJJPMMOKCWNWST-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM Cn1cnc(CCNC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001581808082 1165880506 /nfs/dbraw/zinc/88/05/06/1165880506.db2.gz KIOODWQCTIIVHD-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1nccc1COCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581839907 1165885265 /nfs/dbraw/zinc/88/52/65/1165885265.db2.gz WAMXFKBZZRSEOK-UHFFFAOYSA-N -1 1 314.309 0.151 20 0 DCADMM Cn1nccc1COCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581839907 1165885271 /nfs/dbraw/zinc/88/52/71/1165885271.db2.gz WAMXFKBZZRSEOK-UHFFFAOYSA-N -1 1 314.309 0.151 20 0 DCADMM Cn1nnc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C(F)F ZINC001581845838 1165886233 /nfs/dbraw/zinc/88/62/33/1165886233.db2.gz LJGSGCOYLXBELD-UHFFFAOYSA-N -1 1 321.251 0.580 20 0 DCADMM Cn1nnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C(F)F ZINC001581845838 1165886239 /nfs/dbraw/zinc/88/62/39/1165886239.db2.gz LJGSGCOYLXBELD-UHFFFAOYSA-N -1 1 321.251 0.580 20 0 DCADMM O=C(C1CC1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001581922458 1165914493 /nfs/dbraw/zinc/91/44/93/1165914493.db2.gz PYCUFWDZTJOWPP-UHFFFAOYSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001581922458 1165914500 /nfs/dbraw/zinc/91/45/00/1165914500.db2.gz PYCUFWDZTJOWPP-UHFFFAOYSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CC1CC1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001581968130 1165925643 /nfs/dbraw/zinc/92/56/43/1165925643.db2.gz QSRKVXUICMOJHX-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CC1CC1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001581968130 1165925650 /nfs/dbraw/zinc/92/56/50/1165925650.db2.gz QSRKVXUICMOJHX-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CC1CC1)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001581971685 1165927406 /nfs/dbraw/zinc/92/74/06/1165927406.db2.gz NKEHLUNNDLTIGZ-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(CC1CC1)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001581971685 1165927411 /nfs/dbraw/zinc/92/74/11/1165927411.db2.gz NKEHLUNNDLTIGZ-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(N[C@H](CO)[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001582230666 1165986524 /nfs/dbraw/zinc/98/65/24/1165986524.db2.gz JFLHJPDYGGXJAY-RKDXNWHRSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(N[C@H](CO)[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001582230666 1165986529 /nfs/dbraw/zinc/98/65/29/1165986529.db2.gz JFLHJPDYGGXJAY-RKDXNWHRSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001582398352 1166011696 /nfs/dbraw/zinc/01/16/96/1166011696.db2.gz GCZWCSFOMABOEU-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001582398352 1166011704 /nfs/dbraw/zinc/01/17/04/1166011704.db2.gz GCZWCSFOMABOEU-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(Nc1cnn(CCO)c1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582650790 1166060779 /nfs/dbraw/zinc/06/07/79/1166060779.db2.gz HAXJPDWHMXVCQV-UHFFFAOYSA-N -1 1 315.297 0.095 20 0 DCADMM O=C(Nc1cnn(CCO)c1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582650790 1166060785 /nfs/dbraw/zinc/06/07/85/1166060785.db2.gz HAXJPDWHMXVCQV-UHFFFAOYSA-N -1 1 315.297 0.095 20 0 DCADMM O=S(=O)(NCc1nc(-c2nnn[n-]2)cs1)c1ccccn1 ZINC001582797428 1166083707 /nfs/dbraw/zinc/08/37/07/1166083707.db2.gz OKQKTQFXPVPRRV-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM O=S(=O)(NCc1nc(-c2nn[n-]n2)cs1)c1ccccn1 ZINC001582797428 1166083711 /nfs/dbraw/zinc/08/37/11/1166083711.db2.gz OKQKTQFXPVPRRV-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM O=S(=O)(NCc1ccns1)c1cccnc1-c1nn[n-]n1 ZINC001582797582 1166084882 /nfs/dbraw/zinc/08/48/82/1166084882.db2.gz MWLDHMHANSPUHN-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccc(F)cc1 ZINC001582808920 1166087605 /nfs/dbraw/zinc/08/76/05/1166087605.db2.gz DOHGSKZMWDTBLL-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccc(F)cc1 ZINC001582808920 1166087607 /nfs/dbraw/zinc/08/76/07/1166087607.db2.gz DOHGSKZMWDTBLL-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1ccnc(-c2nnn[n-]2)c1)Cc1cccc(F)c1 ZINC001582808898 1166087940 /nfs/dbraw/zinc/08/79/40/1166087940.db2.gz CQWZBLUSXWOOAL-ZDUSSCGKSA-N -1 1 314.324 0.838 20 0 DCADMM O[C@H](CNc1ccnc(-c2nn[n-]n2)c1)Cc1cccc(F)c1 ZINC001582808898 1166087944 /nfs/dbraw/zinc/08/79/44/1166087944.db2.gz CQWZBLUSXWOOAL-ZDUSSCGKSA-N -1 1 314.324 0.838 20 0 DCADMM OC[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)C[C@H]1C(F)(F)F ZINC001582813998 1166093564 /nfs/dbraw/zinc/09/35/64/1166093564.db2.gz NXMMARAAZZXYQV-NKWVEPMBSA-N -1 1 315.259 0.264 20 0 DCADMM OC[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)C[C@H]1C(F)(F)F ZINC001582813998 1166093570 /nfs/dbraw/zinc/09/35/70/1166093570.db2.gz NXMMARAAZZXYQV-NKWVEPMBSA-N -1 1 315.259 0.264 20 0 DCADMM OC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001582814074 1166094706 /nfs/dbraw/zinc/09/47/06/1166094706.db2.gz RNKPPDYVEVQESE-JTQLQIEISA-N -1 1 317.740 0.878 20 0 DCADMM CN(C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1nn[nH]n1 ZINC001585911310 1166468027 /nfs/dbraw/zinc/46/80/27/1166468027.db2.gz YVFHWNDNSKHZAG-UHFFFAOYSA-N -1 1 317.334 0.012 20 0 DCADMM O=C(c1cccc2nccnc21)N1CCOC[C@H]1c1nn[n-]n1 ZINC001586803881 1166499394 /nfs/dbraw/zinc/49/93/94/1166499394.db2.gz DBUIOIPVEJNKJM-NSHDSACASA-N -1 1 311.305 0.357 20 0 DCADMM CC(=O)C(C)(C)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588782876 1166590193 /nfs/dbraw/zinc/59/01/93/1166590193.db2.gz YMEPLCZCVYBIQP-UHFFFAOYSA-N -1 1 303.322 0.963 20 0 DCADMM CC(=O)C(C)(C)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588782876 1166590200 /nfs/dbraw/zinc/59/02/00/1166590200.db2.gz YMEPLCZCVYBIQP-UHFFFAOYSA-N -1 1 303.322 0.963 20 0 DCADMM CC(=O)N1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)[C@@H](C)C1 ZINC001588824331 1166600038 /nfs/dbraw/zinc/60/00/38/1166600038.db2.gz HHWHGERDSJDDQC-QMMMGPOBSA-N -1 1 302.342 0.022 20 0 DCADMM CC(=O)N1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)[C@@H](C)C1 ZINC001588824331 1166600045 /nfs/dbraw/zinc/60/00/45/1166600045.db2.gz HHWHGERDSJDDQC-QMMMGPOBSA-N -1 1 302.342 0.022 20 0 DCADMM CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001588837712 1166603915 /nfs/dbraw/zinc/60/39/15/1166603915.db2.gz GOKVFSMZXYBYRK-SNVBAGLBSA-N -1 1 304.358 0.041 20 0 DCADMM CC(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588868269 1166613638 /nfs/dbraw/zinc/61/36/38/1166613638.db2.gz OGWJHTDOQZDRMD-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](C(=O)N1CC2(C1)CC(F)(F)C2)n1cnc(-c2nn[n-]n2)n1 ZINC001588944959 1166621420 /nfs/dbraw/zinc/62/14/20/1166621420.db2.gz HEHOOUNPZSNVNI-SSDOTTSWSA-N -1 1 324.295 0.277 20 0 DCADMM C[C@@H](C(=O)NCC1CC(C)(C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588983780 1166623458 /nfs/dbraw/zinc/62/34/58/1166623458.db2.gz LZTUBTMWISUCBD-QMMMGPOBSA-N -1 1 304.358 0.572 20 0 DCADMM C[C@H](C(=O)N[C@H]1CCC[C@H](F)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588973197 1166624236 /nfs/dbraw/zinc/62/42/36/1166624236.db2.gz PHSSEOLBPGSGGX-VGMNWLOBSA-N -1 1 308.321 0.416 20 0 DCADMM C[C@@H](C(=O)OCc1cnsc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589031912 1166631921 /nfs/dbraw/zinc/63/19/21/1166631921.db2.gz CFGHIZZKBDVODE-LURJTMIESA-N -1 1 306.311 0.219 20 0 DCADMM CC(C)(C(=O)OCc1ccc(-c2nnn[n-]2)o1)S(C)(=O)=O ZINC001589061483 1166634118 /nfs/dbraw/zinc/63/41/18/1166634118.db2.gz AVXMTPIJDPEOFN-UHFFFAOYSA-N -1 1 314.323 0.326 20 0 DCADMM CC(C)(C(=O)OCc1ccc(-c2nn[n-]n2)o1)S(C)(=O)=O ZINC001589061483 1166634123 /nfs/dbraw/zinc/63/41/23/1166634123.db2.gz AVXMTPIJDPEOFN-UHFFFAOYSA-N -1 1 314.323 0.326 20 0 DCADMM CC(C)(C)C(F)(F)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001589092202 1166635384 /nfs/dbraw/zinc/63/53/84/1166635384.db2.gz CXBHEHKHUQIGHG-UHFFFAOYSA-N -1 1 314.300 0.256 20 0 DCADMM CC(C)(C)CC(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001589116325 1166635807 /nfs/dbraw/zinc/63/58/07/1166635807.db2.gz NIFXLDQHNJUPTQ-UHFFFAOYSA-N -1 1 318.385 0.433 20 0 DCADMM CC(C)(C)NC(=O)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589140735 1166636901 /nfs/dbraw/zinc/63/69/01/1166636901.db2.gz CNZAIZHFKXJSMW-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM CC(C)(C)NC(=O)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589140735 1166636904 /nfs/dbraw/zinc/63/69/04/1166636904.db2.gz CNZAIZHFKXJSMW-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM CC(C)(C)OC(=O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589149181 1166638596 /nfs/dbraw/zinc/63/85/96/1166638596.db2.gz HIFVOJUSFPHFNV-SECBINFHSA-N -1 1 317.353 0.825 20 0 DCADMM CC(C)(C)OC(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589149181 1166638598 /nfs/dbraw/zinc/63/85/98/1166638598.db2.gz HIFVOJUSFPHFNV-SECBINFHSA-N -1 1 317.353 0.825 20 0 DCADMM CC(C)(C)OC(=O)C1CN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589148098 1166638709 /nfs/dbraw/zinc/63/87/09/1166638709.db2.gz BNFPGAVFLLRNHI-UHFFFAOYSA-N -1 1 303.326 0.435 20 0 DCADMM CC(C)(C)OC(=O)C1CN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589148098 1166638711 /nfs/dbraw/zinc/63/87/11/1166638711.db2.gz BNFPGAVFLLRNHI-UHFFFAOYSA-N -1 1 303.326 0.435 20 0 DCADMM CC(C)(CCn1cnc2ncc(-c3nn[n-]n3)c(=O)n21)C1CC1 ZINC001589278152 1166642037 /nfs/dbraw/zinc/64/20/37/1166642037.db2.gz KKMRQGHGAPGVMO-UHFFFAOYSA-N -1 1 314.353 0.897 20 0 DCADMM CC(C)(CO)CNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001589294603 1166644222 /nfs/dbraw/zinc/64/42/22/1166644222.db2.gz WKDSDHBMHNCLDC-UHFFFAOYSA-N -1 1 317.396 0.225 20 0 DCADMM CC(C)(F)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001589311338 1166648330 /nfs/dbraw/zinc/64/83/30/1166648330.db2.gz KWXCYTIHZOKLSO-ARJAWSKDSA-N -1 1 320.332 0.489 20 0 DCADMM CC(C)(F)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001589311338 1166648337 /nfs/dbraw/zinc/64/83/37/1166648337.db2.gz KWXCYTIHZOKLSO-ARJAWSKDSA-N -1 1 320.332 0.489 20 0 DCADMM CC(C)(O)CC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589332560 1166649687 /nfs/dbraw/zinc/64/96/87/1166649687.db2.gz DCCFSFDQDPGPHO-UHFFFAOYSA-N -1 1 311.292 0.922 20 0 DCADMM CC(C)(O)CC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589332560 1166649693 /nfs/dbraw/zinc/64/96/93/1166649693.db2.gz DCCFSFDQDPGPHO-UHFFFAOYSA-N -1 1 311.292 0.922 20 0 DCADMM CC(C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589411745 1166656796 /nfs/dbraw/zinc/65/67/96/1166656796.db2.gz YMQABUBUIBXWAP-DTORHVGOSA-N -1 1 302.342 0.372 20 0 DCADMM CC(C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589411745 1166656799 /nfs/dbraw/zinc/65/67/99/1166656799.db2.gz YMQABUBUIBXWAP-DTORHVGOSA-N -1 1 302.342 0.372 20 0 DCADMM CC(C)[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)C(N)=O ZINC001589428322 1166657746 /nfs/dbraw/zinc/65/77/46/1166657746.db2.gz LSTOQHNADWZVBI-GFCCVEGCSA-N -1 1 308.367 0.558 20 0 DCADMM CC(C)[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)C(N)=O ZINC001589428322 1166657754 /nfs/dbraw/zinc/65/77/54/1166657754.db2.gz LSTOQHNADWZVBI-GFCCVEGCSA-N -1 1 308.367 0.558 20 0 DCADMM CC(C)[C@H]1C(=O)NCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589499350 1166663034 /nfs/dbraw/zinc/66/30/34/1166663034.db2.gz NGVMYYFYKZMZIO-JTQLQIEISA-N -1 1 320.378 0.525 20 0 DCADMM CC(C)C[C@@H](C(N)=O)N(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001589653325 1166670864 /nfs/dbraw/zinc/67/08/64/1166670864.db2.gz HNJDDFCCWBEVGC-VIFPVBQESA-N -1 1 322.394 0.900 20 0 DCADMM CC(C)C[C@@H](C(N)=O)N(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001589653325 1166670868 /nfs/dbraw/zinc/67/08/68/1166670868.db2.gz HNJDDFCCWBEVGC-VIFPVBQESA-N -1 1 322.394 0.900 20 0 DCADMM CC(C)NC(=O)[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589720266 1166676399 /nfs/dbraw/zinc/67/63/99/1166676399.db2.gz JWEMMGBFEMNIJN-QMMMGPOBSA-N -1 1 316.369 0.859 20 0 DCADMM CC(C)NC(=O)[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589720266 1166676405 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C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1nccc(N)n1 ZINC001589944445 1166727357 /nfs/dbraw/zinc/72/73/57/1166727357.db2.gz JPZFTHBZYQQBHD-ZCFIWIBFSA-N -1 1 300.282 0.323 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1nccc(N)n1 ZINC001589944445 1166727362 /nfs/dbraw/zinc/72/73/62/1166727362.db2.gz JPZFTHBZYQQBHD-ZCFIWIBFSA-N -1 1 300.282 0.323 20 0 DCADMM C[C@@H](OC(=O)c1csc(-c2nnn[n-]2)c1)[C@@H]1CCNC(=O)C1 ZINC001590014375 1166753402 /nfs/dbraw/zinc/75/34/02/1166753402.db2.gz NGLZRJQRUSAQHM-HTQZYQBOSA-N -1 1 321.362 1.000 20 0 DCADMM C[C@@H](OC(=O)c1csc(-c2nn[n-]n2)c1)[C@@H]1CCNC(=O)C1 ZINC001590014375 1166753407 /nfs/dbraw/zinc/75/34/07/1166753407.db2.gz NGLZRJQRUSAQHM-HTQZYQBOSA-N -1 1 321.362 1.000 20 0 DCADMM C[C@@H](OC(=O)c1csc(-c2nnn[n-]2)c1)[C@H]1CCNC(=O)C1 ZINC001590014377 1166753457 /nfs/dbraw/zinc/75/34/57/1166753457.db2.gz NGLZRJQRUSAQHM-SFYZADRCSA-N -1 1 321.362 1.000 20 0 DCADMM C[C@@H](OC(=O)c1csc(-c2nn[n-]n2)c1)[C@H]1CCNC(=O)C1 ZINC001590014377 1166753464 /nfs/dbraw/zinc/75/34/64/1166753464.db2.gz NGLZRJQRUSAQHM-SFYZADRCSA-N -1 1 321.362 1.000 20 0 DCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ncnn1C ZINC001590009699 1166753519 /nfs/dbraw/zinc/75/35/19/1166753519.db2.gz HUKNEWMFEZXSIZ-ZCFIWIBFSA-N -1 1 305.323 0.975 20 0 DCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ncnn1C ZINC001590009699 1166753522 /nfs/dbraw/zinc/75/35/22/1166753522.db2.gz HUKNEWMFEZXSIZ-ZCFIWIBFSA-N -1 1 305.323 0.975 20 0 DCADMM C[C@H](c1nc(C[C@@H]2CCCO2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590054279 1166761101 /nfs/dbraw/zinc/76/11/01/1166761101.db2.gz QJHWZEHUQUMOLY-SFYZADRCSA-N -1 1 317.313 0.172 20 0 DCADMM CC1(C)C[C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C(=O)O1 ZINC001590080778 1166767499 /nfs/dbraw/zinc/76/74/99/1166767499.db2.gz QMFVDURYBGYPGZ-JTQLQIEISA-N -1 1 316.321 0.015 20 0 DCADMM CC1(C)C[C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C(=O)O1 ZINC001590080778 1166767507 /nfs/dbraw/zinc/76/75/07/1166767507.db2.gz QMFVDURYBGYPGZ-JTQLQIEISA-N -1 1 316.321 0.015 20 0 DCADMM CC1(C)C[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCS1 ZINC001590080425 1166769249 /nfs/dbraw/zinc/76/92/49/1166769249.db2.gz MLACCRHPWIHALC-QMMMGPOBSA-N -1 1 322.398 0.249 20 0 DCADMM CC1(C)C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CO1 ZINC001590083988 1166771265 /nfs/dbraw/zinc/77/12/65/1166771265.db2.gz RCOWGJYQBKFLAK-QMMMGPOBSA-N -1 1 324.366 0.108 20 0 DCADMM CC1(C)C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CO1 ZINC001590083988 1166771267 /nfs/dbraw/zinc/77/12/67/1166771267.db2.gz RCOWGJYQBKFLAK-QMMMGPOBSA-N -1 1 324.366 0.108 20 0 DCADMM CC1(C)C[C@H](O)CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590083479 1166771768 /nfs/dbraw/zinc/77/17/68/1166771768.db2.gz HCWYEYRJUPJMSU-SNVBAGLBSA-N -1 1 316.365 0.885 20 0 DCADMM CC1(C)C[C@H](O)CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590083479 1166771775 /nfs/dbraw/zinc/77/17/75/1166771775.db2.gz HCWYEYRJUPJMSU-SNVBAGLBSA-N -1 1 316.365 0.885 20 0 DCADMM CC1(CC(=O)NCCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001590123036 1166780951 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/nfs/dbraw/zinc/24/44/12/1167244412.db2.gz XOWHVNWHFPIHMN-AWEZNQCLSA-N -1 1 323.328 0.523 20 0 DCADMM COC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001591381331 1167251726 /nfs/dbraw/zinc/25/17/26/1167251726.db2.gz PZDHBJOCGLLUTE-JTQLQIEISA-N -1 1 303.326 0.808 20 0 DCADMM COC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001591381331 1167251734 /nfs/dbraw/zinc/25/17/34/1167251734.db2.gz PZDHBJOCGLLUTE-JTQLQIEISA-N -1 1 303.326 0.808 20 0 DCADMM COCC1(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCC1 ZINC001591389108 1167258557 /nfs/dbraw/zinc/25/85/57/1167258557.db2.gz MDAHDCPFVKVODF-UHFFFAOYSA-N -1 1 320.357 0.538 20 0 DCADMM COCC1(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCC1 ZINC001591389108 1167258561 /nfs/dbraw/zinc/25/85/61/1167258561.db2.gz MDAHDCPFVKVODF-UHFFFAOYSA-N -1 1 320.357 0.538 20 0 DCADMM COCC[C@]1(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CCOC1 ZINC001591403135 1167268270 /nfs/dbraw/zinc/26/82/70/1167268270.db2.gz WBAPAQWGWXTMNY-AWEZNQCLSA-N -1 1 318.337 0.187 20 0 DCADMM COCC[C@]1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CCOC1 ZINC001591403135 1167268275 /nfs/dbraw/zinc/26/82/75/1167268275.db2.gz WBAPAQWGWXTMNY-AWEZNQCLSA-N -1 1 318.337 0.187 20 0 DCADMM COCCCOCC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001591418637 1167279257 /nfs/dbraw/zinc/27/92/57/1167279257.db2.gz RKRDCYVOAFOSQP-UHFFFAOYSA-N -1 1 321.341 0.459 20 0 DCADMM COCCOC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591434499 1167287077 /nfs/dbraw/zinc/28/70/77/1167287077.db2.gz BNCIAAPBOMNBMM-QMMMGPOBSA-N -1 1 309.326 0.549 20 0 DCADMM COCCOC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591434499 1167287082 /nfs/dbraw/zinc/28/70/82/1167287082.db2.gz BNCIAAPBOMNBMM-QMMMGPOBSA-N -1 1 309.326 0.549 20 0 DCADMM COCCn1cc(CNC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001591450031 1167288609 /nfs/dbraw/zinc/28/86/09/1167288609.db2.gz CBUCKRHFOCHHED-UHFFFAOYSA-N -1 1 317.309 0.233 20 0 DCADMM COCCn1cc(CNC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001591450031 1167288618 /nfs/dbraw/zinc/28/86/18/1167288618.db2.gz CBUCKRHFOCHHED-UHFFFAOYSA-N -1 1 317.309 0.233 20 0 DCADMM COCCn1cc(Nc2cc(-c3nnn[n-]3)nc(C)n2)cn1 ZINC001591450726 1167291757 /nfs/dbraw/zinc/29/17/57/1167291757.db2.gz SPYBYCXXXMCJCI-UHFFFAOYSA-N -1 1 301.314 0.552 20 0 DCADMM COCCn1cc(Nc2cc(-c3nn[n-]n3)nc(C)n2)cn1 ZINC001591450726 1167291765 /nfs/dbraw/zinc/29/17/65/1167291765.db2.gz SPYBYCXXXMCJCI-UHFFFAOYSA-N -1 1 301.314 0.552 20 0 DCADMM CO[C@H](C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591473533 1167305276 /nfs/dbraw/zinc/30/52/76/1167305276.db2.gz LKFHUTWGEMIGAN-ZCFIWIBFSA-N -1 1 303.369 0.241 20 0 DCADMM CO[C@H](C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591473533 1167305280 /nfs/dbraw/zinc/30/52/80/1167305280.db2.gz LKFHUTWGEMIGAN-ZCFIWIBFSA-N -1 1 303.369 0.241 20 0 DCADMM COc1cc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)nn1C ZINC001591519143 1167323456 /nfs/dbraw/zinc/32/34/56/1167323456.db2.gz UYEWCXIVMFWBCP-UHFFFAOYSA-N -1 1 321.322 0.422 20 0 DCADMM COc1cc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)nn1C ZINC001591519143 1167323459 /nfs/dbraw/zinc/32/34/59/1167323459.db2.gz UYEWCXIVMFWBCP-UHFFFAOYSA-N -1 1 321.322 0.422 20 0 DCADMM COc1cccc([C@H](O)CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001591637593 1167342123 /nfs/dbraw/zinc/34/21/23/1167342123.db2.gz QIISYVBJGBGGCB-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM COc1cccc([C@H](O)CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001591637593 1167342131 /nfs/dbraw/zinc/34/21/31/1167342131.db2.gz QIISYVBJGBGGCB-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ncc(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)cn1 ZINC001591662680 1167343495 /nfs/dbraw/zinc/34/34/95/1167343495.db2.gz AMMCCUAWBAOLRK-UHFFFAOYSA-N -1 1 315.293 0.231 20 0 DCADMM COc1ncc(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001591662680 1167343500 /nfs/dbraw/zinc/34/35/00/1167343500.db2.gz AMMCCUAWBAOLRK-UHFFFAOYSA-N -1 1 315.293 0.231 20 0 DCADMM COc1cncc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001591658498 1167344088 /nfs/dbraw/zinc/34/40/88/1167344088.db2.gz SKNLVEVVORDQDF-UHFFFAOYSA-N -1 1 318.322 0.052 20 0 DCADMM COc1cncc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001591658498 1167344093 /nfs/dbraw/zinc/34/40/93/1167344093.db2.gz SKNLVEVVORDQDF-UHFFFAOYSA-N -1 1 318.322 0.052 20 0 DCADMM COc1ncc(NC(=O)Cn2cccn2)cc1-c1nn[n-]n1 ZINC001591665090 1167345347 /nfs/dbraw/zinc/34/53/47/1167345347.db2.gz XMKFNXPDWMYSLJ-UHFFFAOYSA-N -1 1 300.282 0.106 20 0 DCADMM COc1ncccc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591669401 1167346193 /nfs/dbraw/zinc/34/61/93/1167346193.db2.gz RWWVBFNHLKQUDH-ZETCQYMHSA-N -1 1 315.297 0.062 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCc2ccn(C)n2)nn1C ZINC001591796756 1167380395 /nfs/dbraw/zinc/38/03/95/1167380395.db2.gz ODFMOJPQIRWFOJ-UHFFFAOYSA-N -1 1 315.341 0.213 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCc2ccn(C)n2)nn1C ZINC001591796756 1167380402 /nfs/dbraw/zinc/38/04/02/1167380402.db2.gz ODFMOJPQIRWFOJ-UHFFFAOYSA-N -1 1 315.341 0.213 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc3cccnn32)nn1C ZINC001591796927 1167381318 /nfs/dbraw/zinc/38/13/18/1167381318.db2.gz FGAJWQUKTCTDLD-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc3cccnn32)nn1C ZINC001591796927 1167381323 /nfs/dbraw/zinc/38/13/23/1167381323.db2.gz FGAJWQUKTCTDLD-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCO[C@H](C)C2)nn1C ZINC001591799037 1167383489 /nfs/dbraw/zinc/38/34/89/1167383489.db2.gz QXDRECOAWUGQGI-VXNVDRBHSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCO[C@H](C)C2)nn1C ZINC001591799037 1167383493 /nfs/dbraw/zinc/38/34/93/1167383493.db2.gz QXDRECOAWUGQGI-VXNVDRBHSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc(F)nc2)nn1C ZINC001591798125 1167384348 /nfs/dbraw/zinc/38/43/48/1167384348.db2.gz ZADZWXIHJCRPEZ-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc(F)nc2)nn1C ZINC001591798125 1167384359 /nfs/dbraw/zinc/38/43/59/1167384359.db2.gz ZADZWXIHJCRPEZ-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NOC/C=C/Cl ZINC001591835498 1167390616 /nfs/dbraw/zinc/39/06/16/1167390616.db2.gz IWOBTNWWZCDLNZ-NSCUHMNNSA-N -1 1 310.701 0.690 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2ncc(Cl)n2C)n1 ZINC001591884666 1167411986 /nfs/dbraw/zinc/41/19/86/1167411986.db2.gz RHUGJNQLAKMICJ-UHFFFAOYSA-N -1 1 319.760 0.988 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2ncc(Cl)n2C)n1 ZINC001591884666 1167411990 /nfs/dbraw/zinc/41/19/90/1167411990.db2.gz RHUGJNQLAKMICJ-UHFFFAOYSA-N -1 1 319.760 0.988 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@@H]2C(N)=O)n1 ZINC001591892834 1167412814 /nfs/dbraw/zinc/41/28/14/1167412814.db2.gz QKTHLLNHZQPHDF-DTWKUNHWSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@@H]2C(N)=O)n1 ZINC001591892834 1167412829 /nfs/dbraw/zinc/41/28/29/1167412829.db2.gz QKTHLLNHZQPHDF-DTWKUNHWSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(N2CCCN(C(N)=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001592005983 1167432475 /nfs/dbraw/zinc/43/24/75/1167432475.db2.gz NGGXMYPRALRISR-UHFFFAOYSA-N -1 1 302.342 0.161 20 0 DCADMM Cc1cc(N2CCCN(C(N)=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001592005983 1167432482 /nfs/dbraw/zinc/43/24/82/1167432482.db2.gz NGGXMYPRALRISR-UHFFFAOYSA-N -1 1 302.342 0.161 20 0 DCADMM Cc1cc(N[C@@H](C)CN2CCCC2=O)nc(-c2nnn[n-]2)c1 ZINC001592032691 1167439076 /nfs/dbraw/zinc/43/90/76/1167439076.db2.gz BKNRCEDVYCZMRH-JTQLQIEISA-N -1 1 301.354 0.993 20 0 DCADMM Cc1cc(N[C@@H](C)CN2CCCC2=O)nc(-c2nn[n-]n2)c1 ZINC001592032691 1167439079 /nfs/dbraw/zinc/43/90/79/1167439079.db2.gz BKNRCEDVYCZMRH-JTQLQIEISA-N -1 1 301.354 0.993 20 0 DCADMM Cc1cc(O)ccc1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592056888 1167446963 /nfs/dbraw/zinc/44/69/63/1167446963.db2.gz ZYDVGHCJJFDDTI-MRVPVSSYSA-N -1 1 314.309 0.672 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001592114642 1167458543 /nfs/dbraw/zinc/45/85/43/1167458543.db2.gz RVJATLGYVMBHHM-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001592114642 1167458549 /nfs/dbraw/zinc/45/85/49/1167458549.db2.gz RVJATLGYVMBHHM-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001592166649 1167468322 /nfs/dbraw/zinc/46/83/22/1167468322.db2.gz RTRNAGXBDLCWAA-UHFFFAOYSA-N -1 1 309.307 0.840 20 0 DCADMM Cc1ccc(N2CC[C@@H](C)[S@@](=O)CC2)c(-c2nnn[n-]2)n1 ZINC001592174451 1167468773 /nfs/dbraw/zinc/46/87/73/1167468773.db2.gz FEOICIUZNFOTGD-UZJPJQLHSA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(N2CC[C@@H](C)[S@@](=O)CC2)c(-c2nn[n-]n2)n1 ZINC001592174451 1167468777 /nfs/dbraw/zinc/46/87/77/1167468777.db2.gz FEOICIUZNFOTGD-UZJPJQLHSA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(N[C@H]2CCN(C(C)C)C2=O)nc1-c1nnn[n-]1 ZINC001592183657 1167469765 /nfs/dbraw/zinc/46/97/65/1167469765.db2.gz HXRAIGFRFAGGGQ-JTQLQIEISA-N -1 1 301.354 0.991 20 0 DCADMM Cc1ccc(N[C@H]2CCN(C(C)C)C2=O)nc1-c1nn[n-]n1 ZINC001592183657 1167469768 /nfs/dbraw/zinc/46/97/68/1167469768.db2.gz HXRAIGFRFAGGGQ-JTQLQIEISA-N -1 1 301.354 0.991 20 0 DCADMM Cc1ccc(NC[C@H](CO)[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592183557 1167470252 /nfs/dbraw/zinc/47/02/52/1167470252.db2.gz UATRYVIVRNCFPX-WDEREUQCSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(NC[C@H](CO)[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592183557 1167470257 /nfs/dbraw/zinc/47/02/57/1167470257.db2.gz UATRYVIVRNCFPX-WDEREUQCSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(NC[C@@H](CO)[C@@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001592183555 1167471079 /nfs/dbraw/zinc/47/10/79/1167471079.db2.gz UATRYVIVRNCFPX-MNOVXSKESA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(NC[C@@H](CO)[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001592183555 1167471082 /nfs/dbraw/zinc/47/10/82/1167471082.db2.gz UATRYVIVRNCFPX-MNOVXSKESA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(NCC2(CO)CCOCC2)c(-c2nnn[n-]2)n1 ZINC001592183513 1167471470 /nfs/dbraw/zinc/47/14/70/1167471470.db2.gz RSTXFYKJFACJOP-UHFFFAOYSA-N -1 1 304.354 0.771 20 0 DCADMM Cc1ccc(NCC2(CO)CCOCC2)c(-c2nn[n-]n2)n1 ZINC001592183513 1167471473 /nfs/dbraw/zinc/47/14/73/1167471473.db2.gz RSTXFYKJFACJOP-UHFFFAOYSA-N -1 1 304.354 0.771 20 0 DCADMM Cc1ccc2nc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cn2c1 ZINC001592205833 1167475161 /nfs/dbraw/zinc/47/51/61/1167475161.db2.gz AUWDXYWVEGHZPY-UHFFFAOYSA-N -1 1 309.293 0.290 20 0 DCADMM Cc1[nH]nc(NC(=O)Cn2cnc3ccccc32)c1-c1nn[n-]n1 ZINC001592331082 1167491203 /nfs/dbraw/zinc/49/12/03/1167491203.db2.gz WPVDHEJPWSERAK-UHFFFAOYSA-N -1 1 323.320 0.887 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccc(CO)nc2)c1-c1nn[n-]n1 ZINC001592332252 1167491579 /nfs/dbraw/zinc/49/15/79/1167491579.db2.gz CRJQBOZUQWDVAM-UHFFFAOYSA-N -1 1 300.282 0.038 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cc(C(F)F)n(C)n2)c1-c1nn[n-]n1 ZINC001592329752 1167491993 /nfs/dbraw/zinc/49/19/93/1167491993.db2.gz FKAGXRHLTFAPFC-UHFFFAOYSA-N -1 1 323.267 0.822 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](Cn3ccnn3)C2)n1 ZINC001592337176 1167493302 /nfs/dbraw/zinc/49/33/02/1167493302.db2.gz DBBVPFWVDOHMMJ-SNVBAGLBSA-N -1 1 312.341 0.083 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](Cn3ccnn3)C2)n1 ZINC001592337176 1167493305 /nfs/dbraw/zinc/49/33/05/1167493305.db2.gz DBBVPFWVDOHMMJ-SNVBAGLBSA-N -1 1 312.341 0.083 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC(C3OCCO3)CC2)n1 ZINC001592337313 1167493799 /nfs/dbraw/zinc/49/37/99/1167493799.db2.gz FZOZNZIFKOYHEH-UHFFFAOYSA-N -1 1 317.353 0.554 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC(C3OCCO3)CC2)n1 ZINC001592337313 1167493805 /nfs/dbraw/zinc/49/38/05/1167493805.db2.gz FZOZNZIFKOYHEH-UHFFFAOYSA-N -1 1 317.353 0.554 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H](C)C(=O)N(C)C)n1 ZINC001592353662 1167502539 /nfs/dbraw/zinc/50/25/39/1167502539.db2.gz HQUMUJXTPBWCDS-SSDOTTSWSA-N -1 1 307.383 0.842 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(-c2nn[nH]n2)c(C)n1 ZINC001592350379 1167502564 /nfs/dbraw/zinc/50/25/64/1167502564.db2.gz HYKSOBWKMLBLDW-UHFFFAOYSA-N -1 1 300.282 0.560 20 0 DCADMM Cc1nc(=NC(=O)c2cccc(F)c2-c2nnn[n-]2)n(C)[nH]1 ZINC001592376957 1167508859 /nfs/dbraw/zinc/50/88/59/1167508859.db2.gz KOKSBHVBFPTNGD-UHFFFAOYSA-N -1 1 302.273 0.117 20 0 DCADMM Cc1nc(=NC(=O)c2cccc(F)c2-c2nn[n-]n2)n(C)[nH]1 ZINC001592376957 1167508863 /nfs/dbraw/zinc/50/88/63/1167508863.db2.gz KOKSBHVBFPTNGD-UHFFFAOYSA-N -1 1 302.273 0.117 20 0 DCADMM Cc1nc(N[C@@H](CO)C[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001592379697 1167509865 /nfs/dbraw/zinc/50/98/65/1167509865.db2.gz JTRBYOBZOOJBGF-ZJUUUORDSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1nc(N[C@@H](CO)C[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001592379697 1167509869 /nfs/dbraw/zinc/50/98/69/1167509869.db2.gz JTRBYOBZOOJBGF-ZJUUUORDSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1nc2ccccc2nc1NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592403928 1167515421 /nfs/dbraw/zinc/51/54/21/1167515421.db2.gz BQAMUWQEELHDTL-UHFFFAOYSA-N -1 1 322.336 0.822 20 0 DCADMM Cc1nsc(N2CCC(C(=O)N(C)C)CC2)c1-c1nn[n-]n1 ZINC001592473000 1167531536 /nfs/dbraw/zinc/53/15/36/1167531536.db2.gz HTAXFXYIARMPEP-UHFFFAOYSA-N -1 1 321.410 0.936 20 0 DCADMM Cc1nsc(NC(=O)[C@H]2OCCO[C@H]2C)c1-c1nnn[n-]1 ZINC001592481938 1167538099 /nfs/dbraw/zinc/53/80/99/1167538099.db2.gz MWULNOHCHDULHE-XPUUQOCRSA-N -1 1 310.339 0.374 20 0 DCADMM Cc1nsc(NC(=O)[C@H]2OCCO[C@H]2C)c1-c1nn[n-]n1 ZINC001592481938 1167538103 /nfs/dbraw/zinc/53/81/03/1167538103.db2.gz MWULNOHCHDULHE-XPUUQOCRSA-N -1 1 310.339 0.374 20 0 DCADMM Cc1[nH]sc(=NC(=O)NN2CCCC2=O)c1-c1nn[n-]n1 ZINC001592483529 1167538723 /nfs/dbraw/zinc/53/87/23/1167538723.db2.gz NBGBZBLCOBSAMP-UHFFFAOYSA-N -1 1 308.327 0.291 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@]1(O)CCOC1 ZINC001592502614 1167541666 /nfs/dbraw/zinc/54/16/66/1167541666.db2.gz OBKVIVWWTYNSKW-CYBMUJFWSA-N -1 1 307.310 0.039 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@@]1(O)CCOC1 ZINC001592502614 1167541676 /nfs/dbraw/zinc/54/16/76/1167541676.db2.gz OBKVIVWWTYNSKW-CYBMUJFWSA-N -1 1 307.310 0.039 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CC[C@@H](C)O2)c1-c1nnn[n-]1 ZINC001592516962 1167547065 /nfs/dbraw/zinc/54/70/65/1167547065.db2.gz CMZWEVDUKZSCJU-VXNVDRBHSA-N -1 1 306.326 0.389 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CC[C@@H](C)O2)c1-c1nn[n-]n1 ZINC001592516962 1167547068 /nfs/dbraw/zinc/54/70/68/1167547068.db2.gz CMZWEVDUKZSCJU-VXNVDRBHSA-N -1 1 306.326 0.389 20 0 DCADMM Clc1cnn([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001592539137 1167550140 /nfs/dbraw/zinc/55/01/40/1167550140.db2.gz UIZWMVFEIMQVDM-SECBINFHSA-N -1 1 317.744 0.958 20 0 DCADMM Cn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001592542582 1167550410 /nfs/dbraw/zinc/55/04/10/1167550410.db2.gz IVDHRDFYQGEPOL-RKDXNWHRSA-N -1 1 324.352 0.298 20 0 DCADMM Cn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001592542582 1167550414 /nfs/dbraw/zinc/55/04/14/1167550414.db2.gz IVDHRDFYQGEPOL-RKDXNWHRSA-N -1 1 324.352 0.298 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)nn1 ZINC001592570424 1167566340 /nfs/dbraw/zinc/56/63/40/1167566340.db2.gz TUNOZYAEFZDZIP-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)nn1 ZINC001592570424 1167566343 /nfs/dbraw/zinc/56/63/43/1167566343.db2.gz TUNOZYAEFZDZIP-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592577761 1167567609 /nfs/dbraw/zinc/56/76/09/1167567609.db2.gz RAHAWUIUHBZAPE-NSHDSACASA-N -1 1 324.348 0.803 20 0 DCADMM Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592577761 1167567612 /nfs/dbraw/zinc/56/76/12/1167567612.db2.gz RAHAWUIUHBZAPE-NSHDSACASA-N -1 1 324.348 0.803 20 0 DCADMM Cn1ccc(CCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)n1 ZINC001592578870 1167568578 /nfs/dbraw/zinc/56/85/78/1167568578.db2.gz HRZMKMRZOOZXLU-UHFFFAOYSA-N -1 1 311.353 0.922 20 0 DCADMM Cn1ccc(CCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)n1 ZINC001592578870 1167568582 /nfs/dbraw/zinc/56/85/82/1167568582.db2.gz HRZMKMRZOOZXLU-UHFFFAOYSA-N -1 1 311.353 0.922 20 0 DCADMM Cn1cccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1=O ZINC001592581948 1167571416 /nfs/dbraw/zinc/57/14/16/1167571416.db2.gz TWTCQQJTXPHQQU-UHFFFAOYSA-N -1 1 302.319 0.879 20 0 DCADMM Cn1cnc2cc(CNc3ccnc(-c4nn[n-]n4)n3)ccc21 ZINC001592588717 1167573436 /nfs/dbraw/zinc/57/34/36/1167573436.db2.gz XZEWVDPRPBYNMS-UHFFFAOYSA-N -1 1 307.321 0.577 20 0 DCADMM Cn1cncc1[C@H](CO)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592589893 1167574371 /nfs/dbraw/zinc/57/43/71/1167574371.db2.gz UYQMTVQNYGVGII-QMMMGPOBSA-N -1 1 319.350 0.125 20 0 DCADMM Cn1cncc1[C@H](CO)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001592589893 1167574379 /nfs/dbraw/zinc/57/43/79/1167574379.db2.gz UYQMTVQNYGVGII-QMMMGPOBSA-N -1 1 319.350 0.125 20 0 DCADMM FC(F)(F)[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)O1 ZINC001592614183 1167586313 /nfs/dbraw/zinc/58/63/13/1167586313.db2.gz TXHRAMCZECPQLE-RNFRBKRXSA-N -1 1 315.259 0.600 20 0 DCADMM NC(=O)CC1(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001592724462 1167613610 /nfs/dbraw/zinc/61/36/10/1167613610.db2.gz LUCQYOMIFCHNNQ-UHFFFAOYSA-N -1 1 318.312 0.391 20 0 DCADMM NC(=O)CC1(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001592724462 1167613611 /nfs/dbraw/zinc/61/36/11/1167613611.db2.gz LUCQYOMIFCHNNQ-UHFFFAOYSA-N -1 1 318.312 0.391 20 0 DCADMM NC(=O)C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001592729525 1167618742 /nfs/dbraw/zinc/61/87/42/1167618742.db2.gz AMGICDMZVUYHEE-SNVBAGLBSA-N -1 1 310.321 0.685 20 0 DCADMM NC(=O)C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001592729525 1167618744 /nfs/dbraw/zinc/61/87/44/1167618744.db2.gz AMGICDMZVUYHEE-SNVBAGLBSA-N -1 1 310.321 0.685 20 0 DCADMM NC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001592733125 1167621075 /nfs/dbraw/zinc/62/10/75/1167621075.db2.gz WAIIPBPPXVIFJG-SFYZADRCSA-N -1 1 318.312 0.390 20 0 DCADMM NC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001592733125 1167621084 /nfs/dbraw/zinc/62/10/84/1167621084.db2.gz WAIIPBPPXVIFJG-SFYZADRCSA-N -1 1 318.312 0.390 20 0 DCADMM NC(=O)c1cccc(CCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001592736759 1167622971 /nfs/dbraw/zinc/62/29/71/1167622971.db2.gz CDSXLSXUSPSOSR-UHFFFAOYSA-N -1 1 310.321 0.410 20 0 DCADMM NC(=O)c1cccc(CCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001592736759 1167622973 /nfs/dbraw/zinc/62/29/73/1167622973.db2.gz CDSXLSXUSPSOSR-UHFFFAOYSA-N -1 1 310.321 0.410 20 0 DCADMM O=C(C[C@@H]1CCCO1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592823289 1167646497 /nfs/dbraw/zinc/64/64/97/1167646497.db2.gz HDQXUXKKTCDVHW-QMMMGPOBSA-N -1 1 303.326 0.975 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@H]1CCC[C@H](O)C1 ZINC001592915023 1167665386 /nfs/dbraw/zinc/66/53/86/1167665386.db2.gz OXECEGREYXCNSU-RYUDHWBXSA-N -1 1 317.349 0.899 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@H]1CCC[C@H](O)C1 ZINC001592915023 1167665389 /nfs/dbraw/zinc/66/53/89/1167665389.db2.gz OXECEGREYXCNSU-RYUDHWBXSA-N -1 1 317.349 0.899 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(CC2CC2)CC1 ZINC001592941090 1167669464 /nfs/dbraw/zinc/66/94/64/1167669464.db2.gz SIBSKWLSALKJEO-UHFFFAOYSA-N -1 1 302.342 0.155 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](c1ccccc1)C1CC1 ZINC001592940291 1167670049 /nfs/dbraw/zinc/67/00/49/1167670049.db2.gz XRCCVFNSGDWNJB-CYBMUJFWSA-N -1 1 324.348 0.726 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC=CC12CCCC2 ZINC001592940604 1167670496 /nfs/dbraw/zinc/67/04/96/1167670496.db2.gz PSAPIWRRKCHBRM-UHFFFAOYSA-N -1 1 300.326 0.169 20 0 DCADMM O=C(N[C@]1(CCO)CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001592957027 1167674683 /nfs/dbraw/zinc/67/46/83/1167674683.db2.gz UZDFNFXZQIPRTH-GFCCVEGCSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(N[C@]1(CCO)CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001592957027 1167674688 /nfs/dbraw/zinc/67/46/88/1167674688.db2.gz UZDFNFXZQIPRTH-GFCCVEGCSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(N[C@H]1C[C@H](O)C12CCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592965291 1167676311 /nfs/dbraw/zinc/67/63/11/1167676311.db2.gz BQRBLBBBFQVYKJ-QWRGUYRKSA-N -1 1 300.322 0.295 20 0 DCADMM O=C(N[C@H]1C[C@H](O)C12CCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592965291 1167676314 /nfs/dbraw/zinc/67/63/14/1167676314.db2.gz BQRBLBBBFQVYKJ-QWRGUYRKSA-N -1 1 300.322 0.295 20 0 DCADMM O=C(N[C@H]1CCCN(CCF)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592979624 1167679321 /nfs/dbraw/zinc/67/93/21/1167679321.db2.gz WLZQIOHMPAKXIX-NSHDSACASA-N -1 1 319.344 0.425 20 0 DCADMM O=C(NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001593000979 1167683615 /nfs/dbraw/zinc/68/36/15/1167683615.db2.gz VPWWJDUZDYJARB-UHFFFAOYSA-N -1 1 304.379 0.639 20 0 DCADMM O=C(NC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593039234 1167693057 /nfs/dbraw/zinc/69/30/57/1167693057.db2.gz SZZHCMXCPBDJKY-SSDOTTSWSA-N -1 1 308.729 0.824 20 0 DCADMM O=C(NCC[C@H](O)C1CC1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001593057615 1167695150 /nfs/dbraw/zinc/69/51/50/1167695150.db2.gz XBBFGSLERQNFJU-VIFPVBQESA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCC[C@H](O)C1CC1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001593057615 1167695156 /nfs/dbraw/zinc/69/51/56/1167695156.db2.gz XBBFGSLERQNFJU-VIFPVBQESA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCCCNc1nccnc1-c1nnn[n-]1)c1ccc[nH]1 ZINC001593078555 1167700012 /nfs/dbraw/zinc/70/00/12/1167700012.db2.gz FEGNIIXODUCQPN-UHFFFAOYSA-N -1 1 313.325 0.217 20 0 DCADMM O=C(NCCCNc1nccnc1-c1nn[n-]n1)c1ccc[nH]1 ZINC001593078555 1167700019 /nfs/dbraw/zinc/70/00/19/1167700019.db2.gz FEGNIIXODUCQPN-UHFFFAOYSA-N -1 1 313.325 0.217 20 0 DCADMM O=C(NCCCNc1ccc(-c2nnn[n-]2)nn1)[C@H]1CC12CC2 ZINC001593076297 1167700299 /nfs/dbraw/zinc/70/02/99/1167700299.db2.gz PHNANKHFBREREM-SECBINFHSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCCNc1ccc(-c2nn[n-]n2)nn1)[C@H]1CC12CC2 ZINC001593076297 1167700306 /nfs/dbraw/zinc/70/03/06/1167700306.db2.gz PHNANKHFBREREM-SECBINFHSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCCNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001593079329 1167700499 /nfs/dbraw/zinc/70/04/99/1167700499.db2.gz MEHURYCXMQHBSX-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(NCCCNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001593079329 1167700504 /nfs/dbraw/zinc/70/05/04/1167700504.db2.gz MEHURYCXMQHBSX-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(NCCc1cn[nH]c1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001593107861 1167712060 /nfs/dbraw/zinc/71/20/60/1167712060.db2.gz LCRRHNYGHOSGDD-UHFFFAOYSA-N -1 1 318.366 0.693 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](O)C1 ZINC001593137703 1167721987 /nfs/dbraw/zinc/72/19/87/1167721987.db2.gz QPTNKVMKLLLLED-QMMMGPOBSA-N -1 1 308.367 0.595 20 0 DCADMM O=C(Nc1n[nH]c2c1COCC2)c1csc(-c2nn[n-]n2)c1 ZINC001593196198 1167735385 /nfs/dbraw/zinc/73/53/85/1167735385.db2.gz LFXPTBQKMQCSGI-UHFFFAOYSA-N -1 1 317.334 0.976 20 0 DCADMM O=C(Nc1n[nH]c2c1COCC2)c1ccsc1-c1nnn[n-]1 ZINC001593195335 1167736037 /nfs/dbraw/zinc/73/60/37/1167736037.db2.gz ACGICBHQWHHXAJ-UHFFFAOYSA-N -1 1 317.334 0.976 20 0 DCADMM O=C(Nc1n[nH]c2c1COCC2)c1ccsc1-c1nn[n-]n1 ZINC001593195335 1167736043 /nfs/dbraw/zinc/73/60/43/1167736043.db2.gz ACGICBHQWHHXAJ-UHFFFAOYSA-N -1 1 317.334 0.976 20 0 DCADMM O=C(Nc1ccn(CCF)n1)c1cccc(-c2nnn[n-]2)n1 ZINC001593253829 1167743955 /nfs/dbraw/zinc/74/39/55/1167743955.db2.gz LJOKTBKEXIVJRE-UHFFFAOYSA-N -1 1 302.273 0.680 20 0 DCADMM O=C(Nc1ccn(CCF)n1)c1cccc(-c2nn[n-]n2)n1 ZINC001593253829 1167743963 /nfs/dbraw/zinc/74/39/63/1167743963.db2.gz LJOKTBKEXIVJRE-UHFFFAOYSA-N -1 1 302.273 0.680 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CCc2ncncc2C1 ZINC001593259549 1167745507 /nfs/dbraw/zinc/74/55/07/1167745507.db2.gz BXUXREWMHYPYSE-SSDOTTSWSA-N -1 1 311.309 0.123 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cnc2n1CCCCC2 ZINC001593259963 1167745895 /nfs/dbraw/zinc/74/58/95/1167745895.db2.gz FVPMAWWQNQDBJS-UHFFFAOYSA-N -1 1 313.325 0.765 20 0 DCADMM O=C(Nc1cnn(CCF)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593259700 1167747918 /nfs/dbraw/zinc/74/79/18/1167747918.db2.gz XLTRDZMLWQHJFI-UHFFFAOYSA-N -1 1 302.273 0.680 20 0 DCADMM O=C(Nc1cnn(CCF)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593259700 1167747925 /nfs/dbraw/zinc/74/79/25/1167747925.db2.gz XLTRDZMLWQHJFI-UHFFFAOYSA-N -1 1 302.273 0.680 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCOCCN1 ZINC001593327633 1167773943 /nfs/dbraw/zinc/77/39/43/1167773943.db2.gz AZGGAQWHMDJZFW-UHFFFAOYSA-N -1 1 310.264 0.122 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCOCCN1 ZINC001593327633 1167773948 /nfs/dbraw/zinc/77/39/48/1167773948.db2.gz AZGGAQWHMDJZFW-UHFFFAOYSA-N -1 1 310.264 0.122 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOCC2(CCC2)C1 ZINC001593340169 1167780402 /nfs/dbraw/zinc/78/04/02/1167780402.db2.gz DOUHQZCUYNTZIT-UHFFFAOYSA-N -1 1 314.349 0.904 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOCC2(CCC2)C1 ZINC001593340169 1167780411 /nfs/dbraw/zinc/78/04/11/1167780411.db2.gz DOUHQZCUYNTZIT-UHFFFAOYSA-N -1 1 314.349 0.904 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001593349041 1167785250 /nfs/dbraw/zinc/78/52/50/1167785250.db2.gz XDPPYWPKOIYSKW-GXFFZTMASA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001593349041 1167785257 /nfs/dbraw/zinc/78/52/57/1167785257.db2.gz XDPPYWPKOIYSKW-GXFFZTMASA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ncon1 ZINC001593359079 1167785768 /nfs/dbraw/zinc/78/57/68/1167785768.db2.gz VVSNUAFIBQTIHB-JTQLQIEISA-N -1 1 312.293 0.622 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ncon1 ZINC001593359079 1167785771 /nfs/dbraw/zinc/78/57/71/1167785771.db2.gz VVSNUAFIBQTIHB-JTQLQIEISA-N -1 1 312.293 0.622 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCOC[C@H]1CC1CC1 ZINC001593358740 1167785839 /nfs/dbraw/zinc/78/58/39/1167785839.db2.gz MMJBJAAVVNELMV-GFCCVEGCSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCOC[C@H]1CC1CC1 ZINC001593358740 1167785846 /nfs/dbraw/zinc/78/58/46/1167785846.db2.gz MMJBJAAVVNELMV-GFCCVEGCSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cn(Cc2nc(-c3nnn[n-]3)cs2)nn1)C1CCC1 ZINC001593361634 1167788796 /nfs/dbraw/zinc/78/87/96/1167788796.db2.gz SZCMDPDOIBHJTR-UHFFFAOYSA-N -1 1 316.350 0.946 20 0 DCADMM O=C(c1cn(Cc2nc(-c3nn[n-]n3)cs2)nn1)C1CCC1 ZINC001593361634 1167788802 /nfs/dbraw/zinc/78/88/02/1167788802.db2.gz SZCMDPDOIBHJTR-UHFFFAOYSA-N -1 1 316.350 0.946 20 0 DCADMM O=C1C[C@H]([C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CN1 ZINC001593383263 1167795769 /nfs/dbraw/zinc/79/57/69/1167795769.db2.gz QOKRDTWMADRWII-ONGXEEELSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1C[C@H]([C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CN1 ZINC001593383263 1167795778 /nfs/dbraw/zinc/79/57/78/1167795778.db2.gz QOKRDTWMADRWII-ONGXEEELSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCC[C@H]1CNC(=O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593385806 1167799730 /nfs/dbraw/zinc/79/97/30/1167799730.db2.gz OHGMIKCEYSZKEE-MRVPVSSYSA-N -1 1 318.312 0.262 20 0 DCADMM O=C(NCC[C@H]1CNC(=O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593385806 1167799743 /nfs/dbraw/zinc/79/97/43/1167799743.db2.gz OHGMIKCEYSZKEE-MRVPVSSYSA-N -1 1 318.312 0.262 20 0 DCADMM O=C(N[C@@H]1CCNC(=O)CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593390559 1167803287 /nfs/dbraw/zinc/80/32/87/1167803287.db2.gz LYUHBJQFGMXTCX-QMMMGPOBSA-N -1 1 306.351 0.327 20 0 DCADMM O=C1CC[C@H]2CN(Cc3nc(-c4nnn[n-]4)cs3)CCN12 ZINC001593393169 1167807441 /nfs/dbraw/zinc/80/74/41/1167807441.db2.gz FJDQOVVXVHNXGN-QMMMGPOBSA-N -1 1 305.367 0.130 20 0 DCADMM O=C1CC[C@H]2CN(Cc3nc(-c4nn[n-]n4)cs3)CCN12 ZINC001593393169 1167807447 /nfs/dbraw/zinc/80/74/47/1167807447.db2.gz FJDQOVVXVHNXGN-QMMMGPOBSA-N -1 1 305.367 0.130 20 0 DCADMM O=C1OC[C@@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@H]12 ZINC001593422561 1167830824 /nfs/dbraw/zinc/83/08/24/1167830824.db2.gz PKVQQEVWQYOPBE-BQBZGAKWSA-N -1 1 306.713 0.524 20 0 DCADMM O=C1OC[C@@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C[C@H]12 ZINC001593422561 1167830834 /nfs/dbraw/zinc/83/08/34/1167830834.db2.gz PKVQQEVWQYOPBE-BQBZGAKWSA-N -1 1 306.713 0.524 20 0 DCADMM O=S1(=O)CCC[C@H](Sc2cccc(-c3nnn[n-]3)n2)C1 ZINC001593463099 1167853120 /nfs/dbraw/zinc/85/31/20/1167853120.db2.gz LTQSLZAQKHKJJH-QMMMGPOBSA-N -1 1 311.392 0.931 20 0 DCADMM O=S1(=O)CCC[C@H](Sc2cccc(-c3nn[n-]n3)n2)C1 ZINC001593463099 1167853128 /nfs/dbraw/zinc/85/31/28/1167853128.db2.gz LTQSLZAQKHKJJH-QMMMGPOBSA-N -1 1 311.392 0.931 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CCCOc1ccccc1 ZINC001593489485 1167874212 /nfs/dbraw/zinc/87/42/12/1167874212.db2.gz PQKFRRSLFYSWSN-UHFFFAOYSA-N -1 1 314.305 0.598 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1CCOc1cccc(F)c1 ZINC001593494252 1167877059 /nfs/dbraw/zinc/87/70/59/1167877059.db2.gz PRPJODMCQXUWCS-UHFFFAOYSA-N -1 1 302.269 0.642 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CN1CC[C@]2(CC2(F)F)C1 ZINC001593492540 1167877852 /nfs/dbraw/zinc/87/78/52/1167877852.db2.gz JUQMKYQVNQOPSP-LBPRGKRZSA-N -1 1 308.292 0.717 20 0 DCADMM O=c1ccccn1CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001593497827 1167881172 /nfs/dbraw/zinc/88/11/72/1167881172.db2.gz PKLJOZTVQMSIPF-UHFFFAOYSA-N -1 1 324.344 0.379 20 0 DCADMM O[C@@H](COCc1cccs1)Cn1cc(-c2nn[n-]n2)nn1 ZINC001593507616 1167884651 /nfs/dbraw/zinc/88/46/51/1167884651.db2.gz RNWBTMQFUMDFLM-MRVPVSSYSA-N -1 1 307.339 0.097 20 0 DCADMM OC[C@H](Cc1cncs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001593521689 1167897355 /nfs/dbraw/zinc/89/73/55/1167897355.db2.gz YEBSSQLSVKUAAI-ZETCQYMHSA-N -1 1 304.339 0.129 20 0 DCADMM OC[C@H](Cc1cncs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001593521689 1167897364 /nfs/dbraw/zinc/89/73/64/1167897364.db2.gz YEBSSQLSVKUAAI-ZETCQYMHSA-N -1 1 304.339 0.129 20 0 DCADMM OCCCCCc1cn(Cc2ccc(-c3nnn[n-]3)o2)nn1 ZINC001593531321 1167906811 /nfs/dbraw/zinc/90/68/11/1167906811.db2.gz IZDGMGNQEKXWCL-UHFFFAOYSA-N -1 1 303.326 0.805 20 0 DCADMM OCCCCCc1cn(Cc2ccc(-c3nn[n-]n3)o2)nn1 ZINC001593531321 1167906818 /nfs/dbraw/zinc/90/68/18/1167906818.db2.gz IZDGMGNQEKXWCL-UHFFFAOYSA-N -1 1 303.326 0.805 20 0 DCADMM OCCc1nnc(NCc2csc(-c3nn[n-]n3)c2)s1 ZINC001593531512 1167907396 /nfs/dbraw/zinc/90/73/96/1167907396.db2.gz MRLYYTMQEITBAF-UHFFFAOYSA-N -1 1 309.380 0.927 20 0 DCADMM OCc1csc(CNCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001593535822 1167916383 /nfs/dbraw/zinc/91/63/83/1167916383.db2.gz DUISZANJBYVNLI-UHFFFAOYSA-N -1 1 309.380 0.562 20 0 DCADMM OCc1csc(CNCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001593535822 1167916384 /nfs/dbraw/zinc/91/63/84/1167916384.db2.gz DUISZANJBYVNLI-UHFFFAOYSA-N -1 1 309.380 0.562 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N2CCO[C@]3(CCSC3)C2)c1 ZINC001593583069 1167950645 /nfs/dbraw/zinc/95/06/45/1167950645.db2.gz MLNIUHBTTAOIBC-CYBMUJFWSA-N -1 1 304.379 0.974 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N2CCO[C@]3(CCSC3)C2)c1 ZINC001593583069 1167950648 /nfs/dbraw/zinc/95/06/48/1167950648.db2.gz MLNIUHBTTAOIBC-CYBMUJFWSA-N -1 1 304.379 0.974 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCOCC3(CCOCC3)C2)n1 ZINC001593590600 1167954787 /nfs/dbraw/zinc/95/47/87/1167954787.db2.gz ZSRIFIMNDCLBMN-UHFFFAOYSA-N -1 1 317.353 0.290 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCOCC3(CCOCC3)C2)n1 ZINC001593590600 1167954789 /nfs/dbraw/zinc/95/47/89/1167954789.db2.gz ZSRIFIMNDCLBMN-UHFFFAOYSA-N -1 1 317.353 0.290 20 0 DCADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1noc2c1COCC2 ZINC001593593190 1167957340 /nfs/dbraw/zinc/95/73/40/1167957340.db2.gz MVSVCDLIPQUHIH-UHFFFAOYSA-N -1 1 312.293 0.425 20 0 DCADMM c1cc(-c2nnn[n-]2)oc1CN1CCOC[C@H]1c1ncno1 ZINC001593593715 1167957801 /nfs/dbraw/zinc/95/78/01/1167957801.db2.gz JQCSUFGRPWXCBW-VIFPVBQESA-N -1 1 303.282 0.416 20 0 DCADMM c1cc(-c2nn[n-]n2)oc1CN1CCOC[C@H]1c1ncno1 ZINC001593593715 1167957804 /nfs/dbraw/zinc/95/78/04/1167957804.db2.gz JQCSUFGRPWXCBW-VIFPVBQESA-N -1 1 303.282 0.416 20 0 DCADMM COC[C@@H](NC(=O)C=Cc1ccc2c(c1)OCO2)c1nn[n-]n1 ZINC001595889474 1167981998 /nfs/dbraw/zinc/98/19/98/1167981998.db2.gz PZFJVKUNTZJBMA-TZGMSPROSA-N -1 1 317.305 0.446 20 0 DCADMM CCOC(=O)[C@H](CC)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001595948009 1167985263 /nfs/dbraw/zinc/98/52/63/1167985263.db2.gz GZHLXJKCIXWELI-WDEREUQCSA-N -1 1 309.370 0.570 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)COc3cccnc3)nc2n1 ZINC001596081759 1167986976 /nfs/dbraw/zinc/98/69/76/1167986976.db2.gz TVZLWEDCQRZPGY-UHFFFAOYSA-N -1 1 300.278 0.139 20 0 DCADMM COCCCOCCN(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001597633832 1168010368 /nfs/dbraw/zinc/01/03/68/1168010368.db2.gz BSOABDCGXDJMAV-UHFFFAOYSA-N -1 1 315.326 0.022 20 0 DCADMM COC(=O)C[C@H](N)C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001598871166 1168058226 /nfs/dbraw/zinc/05/82/26/1168058226.db2.gz ZDUJFBRYUZYSSK-NSHDSACASA-N -1 1 321.333 0.164 20 0 DCADMM Cc1c(C(=O)[O-])cc(CNC(=O)[C@H](C)CN2CCOCC2)n1C ZINC001599988053 1168077247 /nfs/dbraw/zinc/07/72/47/1168077247.db2.gz FPMXPKPACKFMSF-LLVKDONJSA-N -1 1 323.393 0.616 20 0 DCADMM Cc1c(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cnn1C ZINC001600012285 1168095732 /nfs/dbraw/zinc/09/57/32/1168095732.db2.gz TXIHKNZDLBTDAF-LLVKDONJSA-N -1 1 323.397 0.419 20 0 DCADMM Cc1c(NC(=O)C(=O)N(C)CC2CN(C)C2)cccc1C(=O)[O-] ZINC001600024769 1168102395 /nfs/dbraw/zinc/10/23/95/1168102395.db2.gz OJYSWUCEWGDVEK-UHFFFAOYSA-N -1 1 319.361 0.652 20 0 DCADMM Cc1cc(=O)[nH]cc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001600065473 1168110605 /nfs/dbraw/zinc/11/06/05/1168110605.db2.gz WQEUXJQXEWAEJH-LLVKDONJSA-N -1 1 307.350 0.717 20 0 DCADMM Cc1cc(C(=O)NC[C@@H]2CN3CCN2CCC3)oc1C(=O)[O-] ZINC001600093604 1168117947 /nfs/dbraw/zinc/11/79/47/1168117947.db2.gz JOVVKUIAZHEBFS-LLVKDONJSA-N -1 1 307.350 0.406 20 0 DCADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(=O)N1CCN[C@H](C)C1 ZINC001600155997 1168128136 /nfs/dbraw/zinc/12/81/36/1168128136.db2.gz WHEBAHMQJAEKLK-LLVKDONJSA-N -1 1 319.361 0.760 20 0 DCADMM Cc1cc(CCC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)n[nH]1 ZINC001600188240 1168134269 /nfs/dbraw/zinc/13/42/69/1168134269.db2.gz CSXQQUSEHVXRHT-UHFFFAOYSA-N -1 1 303.322 0.698 20 0 DCADMM 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FFSOUNCPCFUATI-ZCFIWIBFSA-N -1 1 311.371 0.913 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC(=O)NCC1CC1 ZINC001606167788 1170100101 /nfs/dbraw/zinc/10/01/01/1170100101.db2.gz XGFUEDAUITZNNM-UHFFFAOYSA-N -1 1 304.310 0.024 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC(=O)NCC1CC1 ZINC001606167788 1170100106 /nfs/dbraw/zinc/10/01/06/1170100106.db2.gz XGFUEDAUITZNNM-UHFFFAOYSA-N -1 1 304.310 0.024 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC001606167816 1170100723 /nfs/dbraw/zinc/10/07/23/1170100723.db2.gz XUVZCKMSHSRAOI-VIFPVBQESA-N -1 1 318.337 0.507 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC001606167816 1170100725 /nfs/dbraw/zinc/10/07/25/1170100725.db2.gz XUVZCKMSHSRAOI-VIFPVBQESA-N -1 1 318.337 0.507 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@]1(C)CCN(C)C1=O ZINC001606169802 1170102414 /nfs/dbraw/zinc/10/24/14/1170102414.db2.gz SABCIPLAQOWFHG-CQSZACIVSA-N -1 1 319.321 0.793 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@]1(C)CCN(C)C1=O ZINC001606169802 1170102417 /nfs/dbraw/zinc/10/24/17/1170102417.db2.gz SABCIPLAQOWFHG-CQSZACIVSA-N -1 1 319.321 0.793 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCNc1cccnn1 ZINC001606170618 1170102441 /nfs/dbraw/zinc/10/24/41/1170102441.db2.gz KSHIXFQSMYIWRQ-UHFFFAOYSA-N -1 1 315.293 0.827 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCNc1cccnn1 ZINC001606170618 1170102442 /nfs/dbraw/zinc/10/24/42/1170102442.db2.gz KSHIXFQSMYIWRQ-UHFFFAOYSA-N -1 1 315.293 0.827 20 0 DCADMM Cc1onc(CC(=O)NCc2ccnc(F)c2)c1-c1nnn[n-]1 ZINC001606180313 1170106333 /nfs/dbraw/zinc/10/63/33/1170106333.db2.gz UTKUZGZLEFADRE-UHFFFAOYSA-N -1 1 317.284 0.556 20 0 DCADMM Cc1onc(CC(=O)NCc2ccnc(F)c2)c1-c1nn[n-]n1 ZINC001606180313 1170106338 /nfs/dbraw/zinc/10/63/38/1170106338.db2.gz UTKUZGZLEFADRE-UHFFFAOYSA-N -1 1 317.284 0.556 20 0 DCADMM CN(C1CCN(C)CC1)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606214425 1170119063 /nfs/dbraw/zinc/11/90/63/1170119063.db2.gz FUEPDGXTLMYQGE-QWHCGFSZSA-N -1 1 318.439 0.986 20 0 DCADMM CN1CC[C@H]1CNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606219034 1170120220 /nfs/dbraw/zinc/12/02/20/1170120220.db2.gz QHJIKJXFIGJDGY-QWRGUYRKSA-N -1 1 322.369 0.027 20 0 DCADMM Cn1ccc(C(=O)OCc2cccnc2-c2nnn[n-]2)cc1=O ZINC001606247026 1170136108 /nfs/dbraw/zinc/13/61/08/1170136108.db2.gz MBBWATBLYAFFFA-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM Cn1ccc(C(=O)OCc2cccnc2-c2nn[n-]n2)cc1=O ZINC001606247026 1170136111 /nfs/dbraw/zinc/13/61/11/1170136111.db2.gz MBBWATBLYAFFFA-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM Cn1cccc1C(=O)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606254429 1170137304 /nfs/dbraw/zinc/13/73/04/1170137304.db2.gz RXCJMLMLJBCNAK-UHFFFAOYSA-N -1 1 316.346 0.766 20 0 DCADMM Cn1ncc2c1CN(C(=O)Cc1ccc(-c3nnn[n-]3)nc1)C2 ZINC001606276950 1170145258 /nfs/dbraw/zinc/14/52/58/1170145258.db2.gz DVFIHAPLCLFFEP-UHFFFAOYSA-N -1 1 310.321 0.080 20 0 DCADMM Cn1ncc2c1CN(C(=O)Cc1ccc(-c3nn[n-]n3)nc1)C2 ZINC001606276950 1170145261 /nfs/dbraw/zinc/14/52/61/1170145261.db2.gz DVFIHAPLCLFFEP-UHFFFAOYSA-N -1 1 310.321 0.080 20 0 DCADMM Cn1nccc1[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001606281869 1170148428 /nfs/dbraw/zinc/14/84/28/1170148428.db2.gz XTQNMGLELSLHRT-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nccc1[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001606281869 1170148432 /nfs/dbraw/zinc/14/84/32/1170148432.db2.gz XTQNMGLELSLHRT-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nccc1[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001606280791 1170148512 /nfs/dbraw/zinc/14/85/12/1170148512.db2.gz OVVWYLUDBMUNKG-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM FC(F)(F)[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001606287441 1170149752 /nfs/dbraw/zinc/14/97/52/1170149752.db2.gz MMUGYWZPQIVVKX-SSDOTTSWSA-N -1 1 301.232 0.424 20 0 DCADMM FC(F)(F)[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001606287441 1170149754 /nfs/dbraw/zinc/14/97/54/1170149754.db2.gz MMUGYWZPQIVVKX-SSDOTTSWSA-N -1 1 301.232 0.424 20 0 DCADMM Fc1ccc2nc(NCCn3cnc(-c4nn[n-]n4)n3)oc2c1 ZINC001606327577 1170159344 /nfs/dbraw/zinc/15/93/44/1170159344.db2.gz XWIJDBRJKZKYHF-UHFFFAOYSA-N -1 1 315.272 0.851 20 0 DCADMM NC(=O)CC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC001606411059 1170189632 /nfs/dbraw/zinc/18/96/32/1170189632.db2.gz SKXWHLGDLSQKKI-UHFFFAOYSA-N -1 1 324.348 0.877 20 0 DCADMM NC(=O)CC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC001606411059 1170189636 /nfs/dbraw/zinc/18/96/36/1170189636.db2.gz SKXWHLGDLSQKKI-UHFFFAOYSA-N -1 1 324.348 0.877 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001606412953 1170191441 /nfs/dbraw/zinc/19/14/41/1170191441.db2.gz OPUXRZMGADORDY-SNVBAGLBSA-N -1 1 301.354 0.744 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001606412953 1170191443 /nfs/dbraw/zinc/19/14/43/1170191443.db2.gz OPUXRZMGADORDY-SNVBAGLBSA-N -1 1 301.354 0.744 20 0 DCADMM COC(=O)[C@H]1CCN(Cc2n[nH]c(C(C)C)n2)[C@H](C(=O)[O-])C1 ZINC001606414296 1170191647 /nfs/dbraw/zinc/19/16/47/1170191647.db2.gz PCRNIORGZYHRJK-UWVGGRQHSA-N -1 1 310.354 0.766 20 0 DCADMM COC(=O)[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)C[C@@H]1C(=O)[O-] ZINC001606428875 1170197377 /nfs/dbraw/zinc/19/73/77/1170197377.db2.gz HGUCTNOLTHQZED-IUCAKERBSA-N -1 1 313.331 0.752 20 0 DCADMM NC(=O)c1cc(NCc2ccc(-c3nn[n-]n3)s2)ncn1 ZINC001606427903 1170197557 /nfs/dbraw/zinc/19/75/57/1170197557.db2.gz YJBOVMVJJCGAII-UHFFFAOYSA-N -1 1 302.323 0.429 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@H]1CCC2(CCC2)O1 ZINC001606444842 1170205091 /nfs/dbraw/zinc/20/50/91/1170205091.db2.gz DDCCFJQBTJQPDL-MRVPVSSYSA-N -1 1 303.326 0.777 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc2scnc21 ZINC001606446257 1170206512 /nfs/dbraw/zinc/20/65/12/1170206512.db2.gz KVXDHMGQFQUWOP-UHFFFAOYSA-N -1 1 312.318 0.944 20 0 DCADMM COC(=O)CC[C@@H](C(=O)[O-])N1CCN(c2cnccn2)CC1 ZINC001606450288 1170207336 /nfs/dbraw/zinc/20/73/36/1170207336.db2.gz YIGWOPLOZMZQEZ-NSHDSACASA-N -1 1 308.338 0.005 20 0 DCADMM COC(=O)[C@@H](NC(=O)CN1CCC[C@H]1CC(=O)[O-])C(C)C ZINC001606505065 1170222004 /nfs/dbraw/zinc/22/20/04/1170222004.db2.gz BRZVHJZMNBVEIQ-GWCFXTLKSA-N -1 1 300.355 0.239 20 0 DCADMM COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1[nH]nc2c1CCCCC2 ZINC001606501840 1170222476 /nfs/dbraw/zinc/22/24/76/1170222476.db2.gz PSKNTOAKWCFUOD-SNVBAGLBSA-N -1 1 310.306 0.852 20 0 DCADMM COC(=O)c1cc(CN2CCC([C@@H](O)C(=O)[O-])CC2)n(C)c1C ZINC001606541773 1170232073 /nfs/dbraw/zinc/23/20/73/1170232073.db2.gz KLVAVRPEBCHGKX-CQSZACIVSA-N -1 1 324.377 0.778 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC[C@H]1CCOC1 ZINC001606594804 1170239313 /nfs/dbraw/zinc/23/93/13/1170239313.db2.gz MWMFYWHGQBYVIR-JTQLQIEISA-N -1 1 302.338 0.347 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC[C@H]1CCOC1 ZINC001606594804 1170239319 /nfs/dbraw/zinc/23/93/19/1170239319.db2.gz MWMFYWHGQBYVIR-JTQLQIEISA-N -1 1 302.338 0.347 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)Nc1c(F)cccc1F ZINC001606617286 1170243894 /nfs/dbraw/zinc/24/38/94/1170243894.db2.gz HCIBBYAWIPXVAI-UHFFFAOYSA-N -1 1 306.236 0.375 20 0 DCADMM O=C(N[C@@H](CCO)c1ccco1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606632663 1170248682 /nfs/dbraw/zinc/24/86/82/1170248682.db2.gz GJTZNAYPKSMGKR-JTQLQIEISA-N -1 1 314.305 0.708 20 0 DCADMM O=C(N[C@@H](CCO)c1ccco1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606632663 1170248683 /nfs/dbraw/zinc/24/86/83/1170248683.db2.gz GJTZNAYPKSMGKR-JTQLQIEISA-N -1 1 314.305 0.708 20 0 DCADMM O=C(N[C@H](CO)c1ccccn1)c1coc(-c2nnn[n-]2)c1 ZINC001606635510 1170249440 /nfs/dbraw/zinc/24/94/40/1170249440.db2.gz RQMUSPVAPJVCMT-SNVBAGLBSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(N[C@H](CO)c1ccccn1)c1coc(-c2nn[n-]n2)c1 ZINC001606635510 1170249441 /nfs/dbraw/zinc/24/94/41/1170249441.db2.gz RQMUSPVAPJVCMT-SNVBAGLBSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(N[C@H](c1ncccn1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606637939 1170251575 /nfs/dbraw/zinc/25/15/75/1170251575.db2.gz HBLFZNXZXVLRGQ-LBPRGKRZSA-N -1 1 322.332 0.933 20 0 DCADMM O=C(N[C@H](c1ncccn1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606637939 1170251580 /nfs/dbraw/zinc/25/15/80/1170251580.db2.gz HBLFZNXZXVLRGQ-LBPRGKRZSA-N -1 1 322.332 0.933 20 0 DCADMM O=C(NCC1(CO)CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606705132 1170267981 /nfs/dbraw/zinc/26/79/81/1170267981.db2.gz GTOIATPHWHTIDM-UHFFFAOYSA-N -1 1 302.338 0.544 20 0 DCADMM O=C(NCC1(CO)CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606705132 1170267985 /nfs/dbraw/zinc/26/79/85/1170267985.db2.gz GTOIATPHWHTIDM-UHFFFAOYSA-N -1 1 302.338 0.544 20 0 DCADMM O=C(NCC1CC1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606724050 1170272815 /nfs/dbraw/zinc/27/28/15/1170272815.db2.gz ALYWDXFFFPZVQL-UHFFFAOYSA-N -1 1 302.294 0.037 20 0 DCADMM O=C(NC[C@@H]1COCO1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606755963 1170279546 /nfs/dbraw/zinc/27/95/46/1170279546.db2.gz XRWNTGCSMIUOQT-MRVPVSSYSA-N -1 1 314.305 0.451 20 0 DCADMM O=C(NCCNc1cnc(-c2nnn[n-]2)cn1)C1(CF)CCC1 ZINC001606783331 1170288500 /nfs/dbraw/zinc/28/85/00/1170288500.db2.gz GXFINTVIDVHDTB-UHFFFAOYSA-N -1 1 320.332 0.325 20 0 DCADMM O=C(NCCNc1cnc(-c2nn[n-]n2)cn1)C1(CF)CCC1 ZINC001606783331 1170288506 /nfs/dbraw/zinc/28/85/06/1170288506.db2.gz GXFINTVIDVHDTB-UHFFFAOYSA-N -1 1 320.332 0.325 20 0 DCADMM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccccc1O ZINC001606786404 1170289184 /nfs/dbraw/zinc/28/91/84/1170289184.db2.gz XSLCOXOUMNFRDT-LBPRGKRZSA-N -1 1 303.336 0.550 20 0 DCADMM O=C(NCCn1cccn1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606802307 1170295060 /nfs/dbraw/zinc/29/50/60/1170295060.db2.gz GSVCQIWOXXPFAV-UHFFFAOYSA-N -1 1 322.332 0.975 20 0 DCADMM O=C(NC[C@H]1C[C@@H](O)C1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606810421 1170297856 /nfs/dbraw/zinc/29/78/56/1170297856.db2.gz LWSMEKOCTOQBLQ-WRXNHJIOSA-N -1 1 309.276 0.646 20 0 DCADMM O=C(NC[C@H]1C[C@@H](O)C1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606810421 1170297865 /nfs/dbraw/zinc/29/78/65/1170297865.db2.gz LWSMEKOCTOQBLQ-WRXNHJIOSA-N -1 1 309.276 0.646 20 0 DCADMM COCC1(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)CC1 ZINC001606840159 1170310231 /nfs/dbraw/zinc/31/02/31/1170310231.db2.gz IWKGFORXICNTJJ-GFCCVEGCSA-N -1 1 313.398 0.603 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@H](CO)C1CCC1 ZINC001606844476 1170311210 /nfs/dbraw/zinc/31/12/10/1170311210.db2.gz PODHALGVNHWRNV-MRVPVSSYSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@H](CO)C1CCC1 ZINC001606844476 1170311220 /nfs/dbraw/zinc/31/12/20/1170311220.db2.gz PODHALGVNHWRNV-MRVPVSSYSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1coc(-c2nnn[n-]2)c1 ZINC001606879786 1170321328 /nfs/dbraw/zinc/32/13/28/1170321328.db2.gz LTQCABTWNRVEIP-DGCLKSJQSA-N -1 1 311.301 0.848 20 0 DCADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1coc(-c2nn[n-]n2)c1 ZINC001606879786 1170321335 /nfs/dbraw/zinc/32/13/35/1170321335.db2.gz LTQCABTWNRVEIP-DGCLKSJQSA-N -1 1 311.301 0.848 20 0 DCADMM COCCOCCC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001606903256 1170327093 /nfs/dbraw/zinc/32/70/93/1170327093.db2.gz GNGCSVCRBLFQFY-GFCCVEGCSA-N -1 1 302.371 0.047 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC(OC(F)F)C1 ZINC001607026931 1170359725 /nfs/dbraw/zinc/35/97/25/1170359725.db2.gz HAOVGQJYDIDOLY-UHFFFAOYSA-N -1 1 301.278 0.992 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC(OC(F)F)C1 ZINC001607026931 1170359734 /nfs/dbraw/zinc/35/97/34/1170359734.db2.gz HAOVGQJYDIDOLY-UHFFFAOYSA-N -1 1 301.278 0.992 20 0 DCADMM O=C1CCCN1C[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001607043354 1170365000 /nfs/dbraw/zinc/36/50/00/1170365000.db2.gz HWIQHTVTAWILOK-JTQLQIEISA-N -1 1 314.353 0.105 20 0 DCADMM O=C1CCCN1C[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001607043354 1170365008 /nfs/dbraw/zinc/36/50/08/1170365008.db2.gz HWIQHTVTAWILOK-JTQLQIEISA-N -1 1 314.353 0.105 20 0 DCADMM O=C1CC[C@@H](Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)O1 ZINC001607044821 1170367442 /nfs/dbraw/zinc/36/74/42/1170367442.db2.gz ZBGQLDOYVXFXBP-JTQLQIEISA-N -1 1 311.305 0.831 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc(-c2nnn[n-]2)nc1 ZINC001607060500 1170375447 /nfs/dbraw/zinc/37/54/47/1170375447.db2.gz TWYZQTFACKKQGE-MKPLZMMCSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc(-c2nn[n-]n2)nc1 ZINC001607060500 1170375453 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948456272 /nfs/dbraw/zinc/45/62/72/948456272.db2.gz WPJYNLOBOVGXJP-LURJTMIESA-N -1 1 300.273 0.181 20 0 DCADMM O=C(C[C@@H]1COc2ccccc2O1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548762429 1013089729 /nfs/dbraw/zinc/08/97/29/1013089729.db2.gz OZCWXRKVSIPMIC-GHMZBOCLSA-N -1 1 315.333 0.746 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCO[C@H]1C1CC1 ZINC001570919680 948591421 /nfs/dbraw/zinc/59/14/21/948591421.db2.gz YQKOISWIHBPPNI-YPMHNXCESA-N -1 1 314.349 0.693 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCO[C@H]1C1CC1 ZINC001570919680 948591428 /nfs/dbraw/zinc/59/14/28/948591428.db2.gz YQKOISWIHBPPNI-YPMHNXCESA-N -1 1 314.349 0.693 20 0 DCADMM COc1cccc(CC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)n1 ZINC001570920379 948598339 /nfs/dbraw/zinc/59/83/39/948598339.db2.gz LVIHXXNJSQVJHO-UHFFFAOYSA-N -1 1 314.309 0.483 20 0 DCADMM COC(=O)c1nccc(NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001570920741 948606932 /nfs/dbraw/zinc/60/69/32/948606932.db2.gz AXFKIGYQEPGLLI-UHFFFAOYSA-N -1 1 317.334 0.539 20 0 DCADMM CC(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001570920805 948607270 /nfs/dbraw/zinc/60/72/70/948607270.db2.gz CWLCCDCZNUEFQG-LLVKDONJSA-N -1 1 316.369 0.717 20 0 DCADMM CC(=O)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001570920805 948607275 /nfs/dbraw/zinc/60/72/75/948607275.db2.gz CWLCCDCZNUEFQG-LLVKDONJSA-N -1 1 316.369 0.717 20 0 DCADMM Cn1nc2c(c1C(=O)NCc1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC001570922674 948645363 /nfs/dbraw/zinc/64/53/63/948645363.db2.gz LSVHAQNJRACMAL-UHFFFAOYSA-N -1 1 324.348 0.414 20 0 DCADMM Cn1nc2c(c1C(=O)NCc1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC001570922674 948645367 /nfs/dbraw/zinc/64/53/67/948645367.db2.gz LSVHAQNJRACMAL-UHFFFAOYSA-N -1 1 324.348 0.414 20 0 DCADMM C[C@H]([C@H](C)C(=O)NCCn1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001570923029 948653643 /nfs/dbraw/zinc/65/36/43/948653643.db2.gz RSZJLHIWTPUSHY-VHSXEESVSA-N -1 1 320.401 0.893 20 0 DCADMM Cc1ncsc1CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001570923094 948655021 /nfs/dbraw/zinc/65/50/21/948655021.db2.gz UKZOATFQOVGKOQ-UHFFFAOYSA-N -1 1 320.338 0.043 20 0 DCADMM Cn1ncc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1-n1cccc1 ZINC001263886618 948798556 /nfs/dbraw/zinc/79/85/56/948798556.db2.gz PTWOEUVZFUHLLJ-SNVBAGLBSA-N -1 1 312.337 0.354 20 0 DCADMM O=C(CCOC[C@@H]1CCCO1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001263911897 948808490 /nfs/dbraw/zinc/80/84/90/948808490.db2.gz VUUAISRHIZJVLK-STQMWFEESA-N -1 1 323.397 0.567 20 0 DCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1C[C@@H]1C ZINC001574683354 948848825 /nfs/dbraw/zinc/84/88/25/948848825.db2.gz YIBMBWLXVIVKGG-AEJSXWLSSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1C[C@@H]1C ZINC001574683354 948848841 /nfs/dbraw/zinc/84/88/41/948848841.db2.gz YIBMBWLXVIVKGG-AEJSXWLSSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC001488698577 949086092 /nfs/dbraw/zinc/08/60/92/949086092.db2.gz KJSFFEUDRBLXCF-DGCLKSJQSA-N -1 1 321.425 0.577 20 0 DCADMM CC[C@]1(C(=O)[O-])CCCN(C(=O)CN(C)[C@@H]2CCC[C@H]2O)C1 ZINC001589592847 949109160 /nfs/dbraw/zinc/10/91/60/949109160.db2.gz SMMDKWPGYOCQNB-IOASZLSFSA-N -1 1 312.410 0.935 20 0 DCADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1C ZINC001574696876 949147264 /nfs/dbraw/zinc/14/72/64/949147264.db2.gz WKMGNUBHBBYQNC-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1C ZINC001574696876 949147274 /nfs/dbraw/zinc/14/72/74/949147274.db2.gz WKMGNUBHBBYQNC-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM CCc1cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc(=O)[nH]1 ZINC001364383567 949158387 /nfs/dbraw/zinc/15/83/87/949158387.db2.gz QJUQHKUHLNVSMT-SNVBAGLBSA-N -1 1 304.310 0.076 20 0 DCADMM O=C([O-])c1ccc(C(=O)N2CCSC[C@H]2c2nn[nH]n2)cn1 ZINC001595215307 949215789 /nfs/dbraw/zinc/21/57/89/949215789.db2.gz VEFPRWWPEGBCCU-VIFPVBQESA-N -1 1 320.334 0.223 20 0 DCADMM C[C@@H](NC(=O)C1CCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575260449 949356138 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CC(C)CC(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574117275 949463171 /nfs/dbraw/zinc/46/31/71/949463171.db2.gz PMWOFUUOLPUBKU-SNVBAGLBSA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)CC(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574117275 949463191 /nfs/dbraw/zinc/46/31/91/949463191.db2.gz PMWOFUUOLPUBKU-SNVBAGLBSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H]1CN(CC)CCN1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001589627159 949502972 /nfs/dbraw/zinc/50/29/72/949502972.db2.gz ZUYNFDMWXPGFAH-LLVKDONJSA-N -1 1 309.370 0.916 20 0 DCADMM COc1ccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001364548789 949540442 /nfs/dbraw/zinc/54/04/42/949540442.db2.gz JJDYCZIXJGRDJM-UHFFFAOYSA-N -1 1 316.317 0.589 20 0 DCADMM COc1ccnc(OC)c1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001364567114 949561571 /nfs/dbraw/zinc/56/15/71/949561571.db2.gz HLMKJWQFYICAEA-MRVPVSSYSA-N -1 1 304.310 0.242 20 0 DCADMM C[C@@H](NC(=O)CCCF)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575272364 949643675 /nfs/dbraw/zinc/64/36/75/949643675.db2.gz 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/nfs/dbraw/zinc/10/61/62/986106162.db2.gz NYUNKDUWTOXSCD-NSHDSACASA-N -1 1 323.397 0.788 20 0 DCADMM COC[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001385136129 986114674 /nfs/dbraw/zinc/11/46/74/986114674.db2.gz WIBGHVBOZWNYBT-GHMZBOCLSA-N -1 1 307.350 0.400 20 0 DCADMM Cc1c(C(=O)NCCn2cc(C(=O)[O-])nn2)ccc2cncn21 ZINC001599979936 986148943 /nfs/dbraw/zinc/14/89/43/986148943.db2.gz CWRLLCBKTHRFTE-UHFFFAOYSA-N -1 1 314.305 0.362 20 0 DCADMM CO[C@H](C)C(=O)N[C@](C)(CNC(=O)c1ncccc1[O-])C1CC1 ZINC001531680709 1015211657 /nfs/dbraw/zinc/21/16/57/1015211657.db2.gz OYMJSFMMYPFVJS-QLJPJBMISA-N -1 1 321.377 0.837 20 0 DCADMM C[C@H](C(=O)N1CCN(CC(=O)[O-])CC1)N(C)CC(F)(F)F ZINC001589360137 986365155 /nfs/dbraw/zinc/36/51/55/986365155.db2.gz HGAZUIUTTBELEY-SECBINFHSA-N -1 1 311.304 0.098 20 0 DCADMM C[C@@H](C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1cnccn1 ZINC001589360965 986374130 /nfs/dbraw/zinc/37/41/30/986374130.db2.gz PZRZHKTUPZJLNQ-LLVKDONJSA-N -1 1 306.366 0.588 20 0 DCADMM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC001589400692 986569361 /nfs/dbraw/zinc/56/93/61/986569361.db2.gz PPEOCSGCJVPJIW-MRRJBJDNSA-N -1 1 318.373 0.476 20 0 DCADMM C[C@H](C(=O)NCCc1ccccc1)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001589409284 986601852 /nfs/dbraw/zinc/60/18/52/986601852.db2.gz ARCHFGJIHQXKJW-VHDGCEQUSA-N -1 1 320.389 0.501 20 0 DCADMM CC(C)(O)CC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001386057021 986785881 /nfs/dbraw/zinc/78/58/81/986785881.db2.gz OILYUKBQUQJEKD-JTQLQIEISA-N -1 1 307.350 0.279 20 0 DCADMM CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001594701314 987141807 /nfs/dbraw/zinc/14/18/07/987141807.db2.gz JWDXHXJJMMKHSG-RYUDHWBXSA-N -1 1 322.365 0.313 20 0 DCADMM CCS(=O)(=O)NCCN1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001597225507 987175247 /nfs/dbraw/zinc/17/52/47/987175247.db2.gz UBJKWODFLCYTHC-WISYIIOYSA-N -1 1 320.411 0.021 20 0 DCADMM CCn1nccc1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001386741617 987357465 /nfs/dbraw/zinc/35/74/65/987357465.db2.gz KLIIOMJTESABOE-SNVBAGLBSA-N -1 1 317.349 0.552 20 0 DCADMM Cc1c(C(=O)N(C)CCNC(=O)c2ncccc2[O-])ccn1C ZINC001386850673 987451038 /nfs/dbraw/zinc/45/10/38/987451038.db2.gz HJDGTPPRDXZVCM-UHFFFAOYSA-N -1 1 316.361 0.936 20 0 DCADMM COC1CC(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001386864754 987464067 /nfs/dbraw/zinc/46/40/67/987464067.db2.gz IRSVHBQMNFLELA-WHXUTIOJSA-N -1 1 307.350 0.447 20 0 DCADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2nccnc2Cl)CC1 ZINC001589628311 987528090 /nfs/dbraw/zinc/52/80/90/987528090.db2.gz CGKVNXAIURDJMZ-UHFFFAOYSA-N -1 1 312.757 0.751 20 0 DCADMM CC(C)(C(=O)[O-])c1csc(NC(=O)CCCc2nn[nH]n2)n1 ZINC001589649772 987593560 /nfs/dbraw/zinc/59/35/60/987593560.db2.gz VYPCMWOAZPFROP-UHFFFAOYSA-N -1 1 324.366 0.980 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1n[nH]nc1C ZINC001387180574 987686234 /nfs/dbraw/zinc/68/62/34/987686234.db2.gz NKHHKHYFAFELTH-UHFFFAOYSA-N -1 1 318.337 0.106 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1[nH]nnc1C 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20 0 DCADMM CSCc1n[nH]c(CNC(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC001599805779 988253805 /nfs/dbraw/zinc/25/38/05/988253805.db2.gz XJWNGSNXXULLTG-UHFFFAOYSA-N -1 1 308.323 0.086 20 0 DCADMM CSCc1nnc(CNC(=O)c2cnc(C(=O)[O-])cn2)[nH]1 ZINC001599805779 988253811 /nfs/dbraw/zinc/25/38/11/988253811.db2.gz XJWNGSNXXULLTG-UHFFFAOYSA-N -1 1 308.323 0.086 20 0 DCADMM CO[C@H](C)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001532685615 1015391090 /nfs/dbraw/zinc/39/10/90/1015391090.db2.gz KRRFOCJJVLJIRP-GHMZBOCLSA-N -1 1 309.366 0.693 20 0 DCADMM CCc1nc([C@@H](C)S(=O)(=O)c2ncccc2C(=O)[O-])n[nH]1 ZINC001597643980 988645378 /nfs/dbraw/zinc/64/53/78/988645378.db2.gz BHBHMLXSYOXDLD-SSDOTTSWSA-N -1 1 310.335 0.995 20 0 DCADMM CSc1nccnc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001599830211 988660447 /nfs/dbraw/zinc/66/04/47/988660447.db2.gz ZUNKSDJVRHBKSC-MRVPVSSYSA-N -1 1 307.335 0.347 20 0 DCADMM Cc1cc(C(=O)N(C)CCN(C)C(=O)c2n[nH]c(C)c2[O-])n[nH]1 ZINC001388972937 988704725 /nfs/dbraw/zinc/70/47/25/988704725.db2.gz MWUZRWOPLODKTN-UHFFFAOYSA-N -1 1 320.353 0.299 20 0 DCADMM CCc1cc(CNC(=O)N2C[C@H]3COC[C@]3(C(=O)[O-])C2)n[nH]1 ZINC001552397178 1015416066 /nfs/dbraw/zinc/41/60/66/1015416066.db2.gz BTYQHQPCTPXSPL-LKFCYVNXSA-N -1 1 308.338 0.215 20 0 DCADMM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001599836789 988755708 /nfs/dbraw/zinc/75/57/08/988755708.db2.gz TXEPJOFITDPXNW-JQWIXIFHSA-N -1 1 321.381 0.576 20 0 DCADMM C[C@@H](CNc1ncc(C(=O)[O-])cn1)NC(=O)[C@@H]1CCCCN1C ZINC001599836789 988755716 /nfs/dbraw/zinc/75/57/16/988755716.db2.gz TXEPJOFITDPXNW-JQWIXIFHSA-N -1 1 321.381 0.576 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CCn1cccn1 ZINC001389143465 988901873 /nfs/dbraw/zinc/90/18/73/988901873.db2.gz SSPJKTOOJPMXTM-LLVKDONJSA-N -1 1 317.349 0.309 20 0 DCADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)Cc1ccon1 ZINC001450894272 1015431322 /nfs/dbraw/zinc/43/13/22/1015431322.db2.gz BGNCVWJXJSAKTF-JTQLQIEISA-N -1 1 318.333 0.643 20 0 DCADMM CCc1nocc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001597756974 989177299 /nfs/dbraw/zinc/17/72/99/989177299.db2.gz SJVUMWRCCCDSJO-SVPLCASGSA-N -1 1 319.361 0.504 20 0 DCADMM C[C@@H]1C[C@H](C(=O)NCc2n[nH]c(C(C)(C)C)n2)O[C@H]1C(=O)[O-] ZINC001599874967 989407426 /nfs/dbraw/zinc/40/74/26/989407426.db2.gz JAUYUHHECUHBMK-NQMVMOMDSA-N -1 1 310.354 0.597 20 0 DCADMM CC[C@@H](OC)C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001450947551 1015474171 /nfs/dbraw/zinc/47/41/71/1015474171.db2.gz KSLVQTNIGQWZRS-ZYHUDNBSSA-N -1 1 309.366 0.789 20 0 DCADMM C[C@H](C(=O)N[C@](C)(Cn1cnc2ccccc21)C(=O)[O-])N(C)C ZINC001599885297 989544453 /nfs/dbraw/zinc/54/44/53/989544453.db2.gz AXAZYBPUXSDEOC-BDJLRTHQSA-N -1 1 318.377 0.946 20 0 DCADMM CCn1c(=O)[nH]nc1S(=O)(=O)Cc1ccc(C(=O)[O-])cn1 ZINC001597860391 989635410 /nfs/dbraw/zinc/63/54/10/989635410.db2.gz QQPIQWINOMMKSU-UHFFFAOYSA-N -1 1 312.307 0.071 20 0 DCADMM CC(C)CC(=O)NC[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001390041410 989770267 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C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@H]1CCCCO1 ZINC001391220501 990680063 /nfs/dbraw/zinc/68/00/63/990680063.db2.gz ITGUSQYKMYQBMS-DGCLKSJQSA-N -1 1 321.377 0.838 20 0 DCADMM CC(C)(N)c1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)on1 ZINC001590832582 990683896 /nfs/dbraw/zinc/68/38/96/990683896.db2.gz SFOAOAIVBISIQB-UHFFFAOYSA-N -1 1 311.338 0.622 20 0 DCADMM CN(C)C1(C(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC001598176288 990727881 /nfs/dbraw/zinc/72/78/81/990727881.db2.gz MIYMTWBDRRWUPU-GFCCVEGCSA-N -1 1 306.362 0.846 20 0 DCADMM O=C(NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001391316580 990743105 /nfs/dbraw/zinc/74/31/05/990743105.db2.gz MVVSMROQTOMUDF-NDBYEHHHSA-N -1 1 319.409 0.885 20 0 DCADMM CN(C)C[C@@H]1CCCN1S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598207622 990842025 /nfs/dbraw/zinc/84/20/25/990842025.db2.gz HCJZERNLHUDIQZ-RWMBFGLXSA-N -1 1 318.439 0.986 20 0 DCADMM CN(C)CCn1nnnc1SCC(=O)C(C)(C)C(=O)[O-] ZINC001598246457 991004785 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ZINC000820803633 606806774 /nfs/dbraw/zinc/80/67/74/606806774.db2.gz DKPBROSJLWVZEN-JTQLQIEISA-N -1 1 324.352 0.162 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncccn1 ZINC000820803633 606806775 /nfs/dbraw/zinc/80/67/75/606806775.db2.gz DKPBROSJLWVZEN-JTQLQIEISA-N -1 1 324.352 0.162 20 0 DCADMM C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820518598 607103987 /nfs/dbraw/zinc/10/39/87/607103987.db2.gz HLDWZPKKZPPNLR-HTQZYQBOSA-N -1 1 324.366 0.846 20 0 DCADMM C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820518598 607103988 /nfs/dbraw/zinc/10/39/88/607103988.db2.gz HLDWZPKKZPPNLR-HTQZYQBOSA-N -1 1 324.366 0.846 20 0 DCADMM Cc1cc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)nn1C ZINC000822501038 607133318 /nfs/dbraw/zinc/13/33/18/607133318.db2.gz SEHJWGFEYOBUSV-UHFFFAOYSA-N -1 1 300.326 0.130 20 0 DCADMM O=S(=O)(Oc1ccc(-c2nn[nH]n2)cc1F)c1c[n-]cn1 ZINC000823594173 607142848 /nfs/dbraw/zinc/14/28/48/607142848.db2.gz CUEVRNKNVMAKNI-UHFFFAOYSA-N -1 1 310.270 0.497 20 0 DCADMM Cc1cccc2c1CCCN2C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822340740 607217393 /nfs/dbraw/zinc/21/73/93/607217393.db2.gz FUQPKOVPXYGTEQ-UHFFFAOYSA-N -1 1 324.348 0.746 20 0 DCADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820698027 607217654 /nfs/dbraw/zinc/21/76/54/607217654.db2.gz PDEWIWMYDCTDIR-GHMZBOCLSA-N -1 1 318.385 0.791 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]2CCC[C@H]21 ZINC000823125727 607219820 /nfs/dbraw/zinc/21/98/20/607219820.db2.gz CBPYEAPETRKAMH-NXEZZACHSA-N -1 1 302.342 0.249 20 0 DCADMM CC(C)[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCS1 ZINC000820045241 607219871 /nfs/dbraw/zinc/21/98/71/607219871.db2.gz LQUSZNFDNLYRID-SECBINFHSA-N -1 1 322.398 0.058 20 0 DCADMM CN(CCc1cccs1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821607283 607220140 /nfs/dbraw/zinc/22/01/40/607220140.db2.gz IAAUMPKTDUTKTI-UHFFFAOYSA-N -1 1 318.366 0.221 20 0 DCADMM CCCC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCC1 ZINC000821042544 607222977 /nfs/dbraw/zinc/22/29/77/607222977.db2.gz DQIVVWKHYOGSKN-NSHDSACASA-N -1 1 318.385 0.933 20 0 DCADMM CC(=O)OC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824005625 607795176 /nfs/dbraw/zinc/79/51/76/607795176.db2.gz ZYNHRJYBVAVIJR-UHFFFAOYSA-N -1 1 316.321 0.429 20 0 DCADMM CC(=O)OC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824005625 607795177 /nfs/dbraw/zinc/79/51/77/607795177.db2.gz ZYNHRJYBVAVIJR-UHFFFAOYSA-N -1 1 316.321 0.429 20 0 DCADMM O=C(CCn1ccnc1-c1nnn[n-]1)NCc1ccc(F)cc1 ZINC000826409697 607868578 /nfs/dbraw/zinc/86/85/78/607868578.db2.gz LGZSEPXTYFMDMT-UHFFFAOYSA-N -1 1 315.312 0.909 20 0 DCADMM O=C(CCn1ccnc1-c1nn[n-]n1)NCc1ccc(F)cc1 ZINC000826409697 607868579 /nfs/dbraw/zinc/86/85/79/607868579.db2.gz LGZSEPXTYFMDMT-UHFFFAOYSA-N -1 1 315.312 0.909 20 0 DCADMM CCc1cccc(OC[C@H](O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000825722857 607869055 /nfs/dbraw/zinc/86/90/55/607869055.db2.gz MWHJYDIHFZWELP-LLVKDONJSA-N -1 1 315.337 0.461 20 0 DCADMM Cc1ccc(C)c(OC[C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826285085 607869263 /nfs/dbraw/zinc/86/92/63/607869263.db2.gz PFEXLVHFVFXICS-NSHDSACASA-N -1 1 315.337 0.515 20 0 DCADMM O[C@@H](COc1cccc(F)c1-c1nn[n-]n1)CN1CCOCC1 ZINC000826504832 607875262 /nfs/dbraw/zinc/87/52/62/607875262.db2.gz FVVYZGNDINLWLN-SNVBAGLBSA-N -1 1 323.328 0.078 20 0 DCADMM CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826068847 607919303 /nfs/dbraw/zinc/91/93/03/607919303.db2.gz ZPWXABXBZRXSMK-NSHDSACASA-N -1 1 317.353 0.152 20 0 DCADMM CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826068847 607919304 /nfs/dbraw/zinc/91/93/04/607919304.db2.gz ZPWXABXBZRXSMK-NSHDSACASA-N -1 1 317.353 0.152 20 0 DCADMM CS(=O)(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826224087 607987703 /nfs/dbraw/zinc/98/77/03/607987703.db2.gz NRGWTQBBPHQDRT-UHFFFAOYSA-N -1 1 318.318 0.853 20 0 DCADMM CS(=O)(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826224087 607987704 /nfs/dbraw/zinc/98/77/04/607987704.db2.gz NRGWTQBBPHQDRT-UHFFFAOYSA-N -1 1 318.318 0.853 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CC(=O)Nc2ccccc21 ZINC000826481211 608013140 /nfs/dbraw/zinc/01/31/40/608013140.db2.gz LJJZRXAOWFQGSR-UHFFFAOYSA-N -1 1 324.304 0.049 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CC(=O)Nc2ccccc21 ZINC000826481211 608013141 /nfs/dbraw/zinc/01/31/41/608013141.db2.gz LJJZRXAOWFQGSR-UHFFFAOYSA-N -1 1 324.304 0.049 20 0 DCADMM CCOC(=O)CC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825508287 608027958 /nfs/dbraw/zinc/02/79/58/608027958.db2.gz WEVXLYKJUUWJNO-VIFPVBQESA-N -1 1 318.337 0.723 20 0 DCADMM CCOC(=O)CC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825508287 608027959 /nfs/dbraw/zinc/02/79/59/608027959.db2.gz WEVXLYKJUUWJNO-VIFPVBQESA-N -1 1 318.337 0.723 20 0 DCADMM Cc1cccc(C)c1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826296971 608095817 /nfs/dbraw/zinc/09/58/17/608095817.db2.gz QBNAFVOPXPIYKX-UHFFFAOYSA-N -1 1 312.333 0.392 20 0 DCADMM CCc1nn(C)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825763333 608180853 /nfs/dbraw/zinc/18/08/53/608180853.db2.gz UUJANVRAZNRVIN-UHFFFAOYSA-N -1 1 313.321 0.915 20 0 DCADMM CCc1nn(C)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825763333 608180854 /nfs/dbraw/zinc/18/08/54/608180854.db2.gz UUJANVRAZNRVIN-UHFFFAOYSA-N -1 1 313.321 0.915 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)CC(F)(F)F ZINC000825941899 608418037 /nfs/dbraw/zinc/41/80/37/608418037.db2.gz QUNWGOGSHNNPQT-UHFFFAOYSA-N -1 1 302.264 0.563 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)CC(F)(F)F ZINC000825941899 608418038 /nfs/dbraw/zinc/41/80/38/608418038.db2.gz QUNWGOGSHNNPQT-UHFFFAOYSA-N -1 1 302.264 0.563 20 0 DCADMM CN(C)C(=O)C1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC000825834439 608418420 /nfs/dbraw/zinc/41/84/20/608418420.db2.gz VHHBLAQIKFFJKF-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(C)C(=O)C1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC000825834439 608418421 /nfs/dbraw/zinc/41/84/21/608418421.db2.gz VHHBLAQIKFFJKF-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCOC(=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825499629 608432540 /nfs/dbraw/zinc/43/25/40/608432540.db2.gz PKMDPWLHGNASDU-SECBINFHSA-N -1 1 303.326 0.436 20 0 DCADMM CCOC(=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825499629 608432541 /nfs/dbraw/zinc/43/25/41/608432541.db2.gz PKMDPWLHGNASDU-SECBINFHSA-N -1 1 303.326 0.436 20 0 DCADMM OC1(C(F)(F)F)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826504670 608439298 /nfs/dbraw/zinc/43/92/98/608439298.db2.gz AYWUUWOVNXTNMK-UHFFFAOYSA-N -1 1 315.259 0.550 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCC(=O)NCc1ccco1 ZINC000826280413 608542428 /nfs/dbraw/zinc/54/24/28/608542428.db2.gz ASPBYEKFNHJCBI-UHFFFAOYSA-N -1 1 313.321 0.891 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc[nH]c1 ZINC000825933274 608555175 /nfs/dbraw/zinc/55/51/75/608555175.db2.gz AGIRLGQADGFBFO-UHFFFAOYSA-N -1 1 315.341 0.205 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc[nH]c1 ZINC000825933274 608555176 /nfs/dbraw/zinc/55/51/76/608555176.db2.gz AGIRLGQADGFBFO-UHFFFAOYSA-N -1 1 315.341 0.205 20 0 DCADMM O=C1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H]2CCCC[C@@H]2N1 ZINC000826481341 608655613 /nfs/dbraw/zinc/65/56/13/608655613.db2.gz QJGVYPZNQQKLEO-WDEREUQCSA-N -1 1 302.338 0.703 20 0 DCADMM O=C1CN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H]2CCCC[C@@H]2N1 ZINC000826481341 608655615 /nfs/dbraw/zinc/65/56/15/608655615.db2.gz QJGVYPZNQQKLEO-WDEREUQCSA-N -1 1 302.338 0.703 20 0 DCADMM C[C@H](CS(C)(=O)=O)N(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000824448641 608701110 /nfs/dbraw/zinc/70/11/10/608701110.db2.gz JKGYMAGFFBEONG-MRVPVSSYSA-N -1 1 315.424 0.793 20 0 DCADMM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824860662 608714532 /nfs/dbraw/zinc/71/45/32/608714532.db2.gz XAHOEVPFWIYPIR-IUCAKERBSA-N -1 1 311.367 0.467 20 0 DCADMM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000824860662 608714536 /nfs/dbraw/zinc/71/45/36/608714536.db2.gz XAHOEVPFWIYPIR-IUCAKERBSA-N -1 1 311.367 0.467 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H]2CCCN(C)C2=O)n1 ZINC000826324129 609419061 /nfs/dbraw/zinc/41/90/61/609419061.db2.gz FSBLHBGTBCRQTN-VIFPVBQESA-N -1 1 319.394 0.986 20 0 DCADMM Cc1onc(CC(=O)N2CCOCC[C@H]2C)c1-c1nnn[n-]1 ZINC000826345716 609471054 /nfs/dbraw/zinc/47/10/54/609471054.db2.gz SAEJQGJTCIXWFB-MRVPVSSYSA-N -1 1 306.326 0.343 20 0 DCADMM Cc1onc(CC(=O)N2CCOCC[C@H]2C)c1-c1nn[n-]n1 ZINC000826345716 609471056 /nfs/dbraw/zinc/47/10/56/609471056.db2.gz SAEJQGJTCIXWFB-MRVPVSSYSA-N -1 1 306.326 0.343 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCO[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826347286 609471202 /nfs/dbraw/zinc/47/12/02/609471202.db2.gz LVURVTXMYLHMMK-WCBMZHEXSA-N -1 1 320.353 0.637 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826347286 609471204 /nfs/dbraw/zinc/47/12/04/609471204.db2.gz LVURVTXMYLHMMK-WCBMZHEXSA-N -1 1 320.353 0.637 20 0 DCADMM O=C(N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)c1cocn1 ZINC000978746001 660599404 /nfs/dbraw/zinc/59/94/04/660599404.db2.gz WVKOWJWVXXQDHH-AOOOYVTPSA-N -1 1 316.317 0.714 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)CC2CC2)CCO1 ZINC000979143567 660672290 /nfs/dbraw/zinc/67/22/90/660672290.db2.gz MZFDKMDGRJFMAZ-ONGXEEELSA-N -1 1 309.370 0.016 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)C2=CCCC2)CCO1 ZINC000979268359 660698257 /nfs/dbraw/zinc/69/82/57/660698257.db2.gz JMQRYNSEHNFTAP-ZYHUDNBSSA-N -1 1 321.381 0.326 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)CCC2CC2)CCO1 ZINC000979268497 660699122 /nfs/dbraw/zinc/69/91/22/660699122.db2.gz YOSRXCAEEUULOI-JQWIXIFHSA-N -1 1 323.397 0.406 20 0 DCADMM CNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027844293 660828677 /nfs/dbraw/zinc/82/86/77/660828677.db2.gz POIWDFVGYLWCID-GHMZBOCLSA-N -1 1 306.366 0.116 20 0 DCADMM Cc1c(C(=O)NC[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)ccn1C ZINC000980449649 660941501 /nfs/dbraw/zinc/94/15/01/660941501.db2.gz ACIGSHVGSNHNAJ-XYPYZODXSA-N -1 1 316.365 0.390 20 0 DCADMM Cn1ccc(CN2CCCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC000981026852 661067502 /nfs/dbraw/zinc/06/75/02/661067502.db2.gz NOFBAVQVYPZGTL-UHFFFAOYSA-N -1 1 315.377 0.869 20 0 DCADMM O=C(c1ccc[nH]1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001010326051 661150021 /nfs/dbraw/zinc/15/00/21/661150021.db2.gz ZRTUYSJZIBWOPS-UHFFFAOYSA-N -1 1 300.318 0.714 20 0 DCADMM O=C(Cc1c[nH]c2ccccc12)N1CCOC[C@H]1c1nn[n-]n1 ZINC000737954144 661155842 /nfs/dbraw/zinc/15/58/42/661155842.db2.gz HNPZLJOPKSSQHY-ZDUSSCGKSA-N -1 1 312.333 0.824 20 0 DCADMM C[C@H](C(N)=O)N1CCCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC000981730181 661206411 /nfs/dbraw/zinc/20/64/11/661206411.db2.gz VYODGBQKNSKEAW-LLVKDONJSA-N -1 1 318.377 0.199 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)C3(C)CCC3)CC2)nc1=O ZINC000981763633 661213304 /nfs/dbraw/zinc/21/33/04/661213304.db2.gz HCYDSRXWARMOON-UHFFFAOYSA-N -1 1 307.398 0.333 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)CC(C)(F)F)CC2)nc1=O ZINC000981896312 661242956 /nfs/dbraw/zinc/24/29/56/661242956.db2.gz KVBPPXTZAUOEFC-UHFFFAOYSA-N -1 1 317.340 0.188 20 0 DCADMM C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000998396202 665448702 /nfs/dbraw/zinc/44/87/02/665448702.db2.gz ILJRFOXJYDTBSS-GXSJLCMTSA-N -1 1 305.334 0.153 20 0 DCADMM 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DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1noc2c1CCCC2 ZINC001691486103 1157900399 /nfs/dbraw/zinc/90/03/99/1157900399.db2.gz HEJPKAGDNQMOGO-UHFFFAOYSA-N -1 1 320.353 0.239 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)OCC[C@H](C)C(C)=O)co1 ZINC001649876600 1158494266 /nfs/dbraw/zinc/49/42/66/1158494266.db2.gz RDYRTSLJIOPXOU-QMMMGPOBSA-N -1 1 303.336 0.960 20 0 DCADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@H]1CCNC(=O)C1 ZINC000338960731 1158852670 /nfs/dbraw/zinc/85/26/70/1158852670.db2.gz HBPAHCAXLDAYES-VIFPVBQESA-N -1 1 316.321 0.243 20 0 DCADMM CC(=O)N(C)CC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346114974 1158862818 /nfs/dbraw/zinc/86/28/18/1158862818.db2.gz BHDWRGVIDPMXFQ-UHFFFAOYSA-N -1 1 304.310 0.196 20 0 DCADMM CCOCCS(=O)(=O)[N-][C@H](C(=O)OC)c1cccc(F)c1 ZINC001187302630 1158877207 /nfs/dbraw/zinc/87/72/07/1158877207.db2.gz HQEVCJTWHVJGLR-LBPRGKRZSA-N -1 1 319.354 0.996 20 0 DCADMM CC(C)N(CCCNC(=O)[C@H]1CCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001691699458 1158904244 /nfs/dbraw/zinc/90/42/44/1158904244.db2.gz 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COCCCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001568509024 1160665331 /nfs/dbraw/zinc/66/53/31/1160665331.db2.gz PVYUPDQWUPXMIK-VXGBXAGGSA-N -1 1 323.397 0.360 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)COc1ccccc1 ZINC001568793295 1160776805 /nfs/dbraw/zinc/77/68/05/1160776805.db2.gz GAWNWNJNEYNXRQ-UHFFFAOYSA-N -1 1 319.365 0.527 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001570002152 1161377158 /nfs/dbraw/zinc/37/71/58/1161377158.db2.gz KZBPTKQBBRNXHX-QJPTWQEYSA-N -1 1 307.398 0.885 20 0 DCADMM C[C@H](NCc1cnc2c(C(=O)[O-])cnn2c1)[C@H](O)C(F)(F)F ZINC001573578261 1163507081 /nfs/dbraw/zinc/50/70/81/1163507081.db2.gz BIMITUUPHDFOSN-RCOVLWMOSA-N -1 1 318.255 0.829 20 0 DCADMM CCC[C@@H](C(=O)[O-])S(=O)(=O)N1CCC(c2nc[nH]n2)CC1 ZINC001573724979 1163543410 /nfs/dbraw/zinc/54/34/10/1163543410.db2.gz VMZJZDNNKNNSDV-JTQLQIEISA-N -1 1 316.383 0.567 20 0 DCADMM CC[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)CN2C)C[C@]1(F)C(=O)[O-] ZINC001573816800 1163560173 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312.288 0.353 20 0 DCADMM CNC(=O)[C@@H](Cc1ccccc1)NCc1cn(C)nc1C(=O)[O-] ZINC001573889148 1163578043 /nfs/dbraw/zinc/57/80/43/1163578043.db2.gz CLDQULNUUDQZDJ-CYBMUJFWSA-N -1 1 316.361 0.565 20 0 DCADMM CNC(=O)[C@@H](Cc1ccccc1)NCc1cc(C(=O)[O-])n[nH]1 ZINC001573889419 1163579009 /nfs/dbraw/zinc/57/90/09/1163579009.db2.gz MJXAFQUCYRFGGE-GFCCVEGCSA-N -1 1 302.334 0.555 20 0 DCADMM CC(C)(F)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573906880 1163581023 /nfs/dbraw/zinc/58/10/23/1163581023.db2.gz ZBYCWLYREYDUDL-QMMMGPOBSA-N -1 1 320.332 0.418 20 0 DCADMM CC(C)(F)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573906880 1163581031 /nfs/dbraw/zinc/58/10/31/1163581031.db2.gz ZBYCWLYREYDUDL-QMMMGPOBSA-N -1 1 320.332 0.418 20 0 DCADMM CC(C)(F)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573912900 1163582158 /nfs/dbraw/zinc/58/21/58/1163582158.db2.gz HUDXWIXCAGLPBM-MRVPVSSYSA-N -1 1 320.332 0.100 20 0 DCADMM CC(C)(F)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573912900 1163582164 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CC(C)[C@H](C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573996522 1163620435 /nfs/dbraw/zinc/62/04/35/1163620435.db2.gz UIZOUJJCJYVISD-JTQLQIEISA-N -1 1 318.385 0.819 20 0 DCADMM CC(C)[C@H](C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573996522 1163620438 /nfs/dbraw/zinc/62/04/38/1163620438.db2.gz UIZOUJJCJYVISD-JTQLQIEISA-N -1 1 318.385 0.819 20 0 DCADMM COc1cccc(C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CCN2)c1 ZINC001574041276 1163626942 /nfs/dbraw/zinc/62/69/42/1163626942.db2.gz DBPFMZDXZIPETO-BPLDGKMQSA-N -1 1 318.373 0.759 20 0 DCADMM Cc1nnc2n1CCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)[C@@H]2C ZINC001574197034 1163659164 /nfs/dbraw/zinc/65/91/64/1163659164.db2.gz GIIUUOULOJUALM-ZYHUDNBSSA-N -1 1 321.381 0.286 20 0 DCADMM Cn1cc(C(=O)N2CC[C@H](c3[nH]ncc3C(=O)[O-])C2)[nH]c1=O ZINC001574211857 1163665859 /nfs/dbraw/zinc/66/58/59/1163665859.db2.gz OQRZINIFMRDUFM-ZETCQYMHSA-N -1 1 305.294 0.177 20 0 DCADMM Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)CCNC(=O)[O-] ZINC001574227857 1163671172 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C[C@@H](CCNC(=O)C(C)(C)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574588141 1163734757 /nfs/dbraw/zinc/73/47/57/1163734757.db2.gz QENDUMZMRBZTGX-QMMMGPOBSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@H](CCNC(=O)CC1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574605056 1163734849 /nfs/dbraw/zinc/73/48/49/1163734849.db2.gz ZSIMRWOENUMLDF-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CCNC(=O)CC1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574605056 1163734852 /nfs/dbraw/zinc/73/48/52/1163734852.db2.gz ZSIMRWOENUMLDF-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)F ZINC001574673365 1163739707 /nfs/dbraw/zinc/73/97/07/1163739707.db2.gz MEIXIIIRBDMCGJ-QMMMGPOBSA-N -1 1 322.348 0.133 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574828649 1163762324 /nfs/dbraw/zinc/76/23/24/1163762324.db2.gz ISUAIVJYVGTZHD-QMMMGPOBSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574828649 1163762329 /nfs/dbraw/zinc/76/23/29/1163762329.db2.gz ISUAIVJYVGTZHD-QMMMGPOBSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574832310 1163763268 /nfs/dbraw/zinc/76/32/68/1163763268.db2.gz RZBOVWGNFQIINJ-VIFPVBQESA-N -1 1 318.385 0.289 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574839555 1163766124 /nfs/dbraw/zinc/76/61/24/1163766124.db2.gz DLKKDKFETCGLSJ-KWQFWETISA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574839555 1163766131 /nfs/dbraw/zinc/76/61/31/1163766131.db2.gz DLKKDKFETCGLSJ-KWQFWETISA-N -1 1 322.348 0.567 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC1(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574862500 1163775943 /nfs/dbraw/zinc/77/59/43/1163775943.db2.gz TXBFJCUNZRADJK-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC1(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574862500 1163775947 /nfs/dbraw/zinc/77/59/47/1163775947.db2.gz TXBFJCUNZRADJK-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574862558 1163776615 /nfs/dbraw/zinc/77/66/15/1163776615.db2.gz UOFBHYHSOMLBRY-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574862558 1163776622 /nfs/dbraw/zinc/77/66/22/1163776622.db2.gz UOFBHYHSOMLBRY-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC12CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574863374 1163776957 /nfs/dbraw/zinc/77/69/57/1163776957.db2.gz YDLNPLVFNLPQIN-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC12CC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574863374 1163776964 /nfs/dbraw/zinc/77/69/64/1163776964.db2.gz YDLNPLVFNLPQIN-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNC(=O)CC1CC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574894300 1163789330 /nfs/dbraw/zinc/78/93/30/1163789330.db2.gz GJTLPOHPPSBHSD-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CNC(=O)CC1CC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574894300 1163789338 /nfs/dbraw/zinc/78/93/38/1163789338.db2.gz GJTLPOHPPSBHSD-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)CC1(C)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574894966 1163790609 /nfs/dbraw/zinc/79/06/09/1163790609.db2.gz NDNIRWPXLFAKAD-SECBINFHSA-N -1 1 316.369 0.185 20 0 DCADMM CO[C@@H]1CCC[C@H]1C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001575058725 1163872270 /nfs/dbraw/zinc/87/22/70/1163872270.db2.gz MYRGHTIDXRHYMT-ZYHUDNBSSA-N -1 1 307.350 0.448 20 0 DCADMM O=C(CCn1cccc1)NCCNC(=O)c1ncccc1[O-] ZINC001575059398 1163873266 /nfs/dbraw/zinc/87/32/66/1163873266.db2.gz RKOPFWJJMFTFHT-UHFFFAOYSA-N -1 1 302.334 0.525 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nccc(N)n1 ZINC001575333149 1163979425 /nfs/dbraw/zinc/97/94/25/1163979425.db2.gz YEJWCPNFCROPNY-ZCFIWIBFSA-N -1 1 316.350 0.791 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nccc(N)n1 ZINC001575333149 1163979429 /nfs/dbraw/zinc/97/94/29/1163979429.db2.gz YEJWCPNFCROPNY-ZCFIWIBFSA-N -1 1 316.350 0.791 20 0 DCADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H]2COC[C@H]2O1 ZINC001575708850 1164114046 /nfs/dbraw/zinc/11/40/46/1164114046.db2.gz DEJUMVKRDZOENV-LDYMZIIASA-N -1 1 319.321 0.478 20 0 DCADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H]2COC[C@H]2O1 ZINC001575708850 1164114051 /nfs/dbraw/zinc/11/40/51/1164114051.db2.gz DEJUMVKRDZOENV-LDYMZIIASA-N -1 1 319.321 0.478 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@H](N)c1c(F)cccc1F)c1nn[n-]n1 ZINC001575971747 1164198680 /nfs/dbraw/zinc/19/86/80/1164198680.db2.gz GVRLUAYWUQLAQB-WRWORJQWSA-N -1 1 310.308 0.740 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576083453 1164237331 /nfs/dbraw/zinc/23/73/31/1164237331.db2.gz DGOVRPBNNCHWDQ-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576083453 1164237336 /nfs/dbraw/zinc/23/73/36/1164237336.db2.gz DGOVRPBNNCHWDQ-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H]1CN(C(=O)C2CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576233734 1164276594 /nfs/dbraw/zinc/27/65/94/1164276594.db2.gz QHFRFYZIRBGPHK-GZMMTYOYSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H]1CN(C(=O)C2CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576233734 1164276601 /nfs/dbraw/zinc/27/66/01/1164276601.db2.gz QHFRFYZIRBGPHK-GZMMTYOYSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCN1c1cnccn1 ZINC001576367283 1164316556 /nfs/dbraw/zinc/31/65/56/1164316556.db2.gz YQTXNBRWPPWXBA-JTQLQIEISA-N -1 1 324.352 0.162 20 0 DCADMM C[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCN1c1cnccn1 ZINC001576367283 1164316562 /nfs/dbraw/zinc/31/65/62/1164316562.db2.gz YQTXNBRWPPWXBA-JTQLQIEISA-N -1 1 324.352 0.162 20 0 DCADMM C/C=C(/C)C(=O)N(CC)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576398127 1164323304 /nfs/dbraw/zinc/32/33/04/1164323304.db2.gz CRKPYWKGZSQPGD-WMZJFQQLSA-N -1 1 316.369 0.883 20 0 DCADMM C/C=C(/C)C(=O)N(CC)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576398127 1164323312 /nfs/dbraw/zinc/32/33/12/1164323312.db2.gz CRKPYWKGZSQPGD-WMZJFQQLSA-N -1 1 316.369 0.883 20 0 DCADMM CCC(=O)N(C)CCN(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576412340 1164332350 /nfs/dbraw/zinc/33/23/50/1164332350.db2.gz WAGYYQIKCOAZQZ-UHFFFAOYSA-N -1 1 318.385 0.524 20 0 DCADMM CCC(=O)N(C)CCN(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576412340 1164332357 /nfs/dbraw/zinc/33/23/57/1164332357.db2.gz WAGYYQIKCOAZQZ-UHFFFAOYSA-N -1 1 318.385 0.524 20 0 DCADMM CCC(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576420015 1164337573 /nfs/dbraw/zinc/33/75/73/1164337573.db2.gz FDGYCQQTJQFZOB-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576420015 1164337580 /nfs/dbraw/zinc/33/75/80/1164337580.db2.gz FDGYCQQTJQFZOB-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N[C@H](C)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001576437173 1164341577 /nfs/dbraw/zinc/34/15/77/1164341577.db2.gz AFBKSOZCAKTIRA-SSDOTTSWSA-N -1 1 319.325 0.124 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576440231 1164343877 /nfs/dbraw/zinc/34/38/77/1164343877.db2.gz HNQIMHBCKKONBS-UWVGGRQHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576440231 1164343884 /nfs/dbraw/zinc/34/38/84/1164343884.db2.gz HNQIMHBCKKONBS-UWVGGRQHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576441333 1164345692 /nfs/dbraw/zinc/34/56/92/1164345692.db2.gz YOBSEKVFVUEFJG-VHSXEESVSA-N -1 1 316.369 0.185 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576444844 1164348196 /nfs/dbraw/zinc/34/81/96/1164348196.db2.gz LVZZZEXOEKCAOD-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576444844 1164348201 /nfs/dbraw/zinc/34/82/01/1164348201.db2.gz LVZZZEXOEKCAOD-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001576484890 1164363693 /nfs/dbraw/zinc/36/36/93/1164363693.db2.gz SYCTUWSJPVQPSK-YWVKMMECSA-N -1 1 314.353 0.293 20 0 DCADMM CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001576484890 1164363697 /nfs/dbraw/zinc/36/36/97/1164363697.db2.gz SYCTUWSJPVQPSK-YWVKMMECSA-N -1 1 314.353 0.293 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576565350 1164393661 /nfs/dbraw/zinc/39/36/61/1164393661.db2.gz BUIJZLHMLPBXIJ-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576565350 1164393671 /nfs/dbraw/zinc/39/36/71/1164393671.db2.gz BUIJZLHMLPBXIJ-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576573435 1164398352 /nfs/dbraw/zinc/39/83/52/1164398352.db2.gz QOYKXQIIENISBL-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@H](C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576573435 1164398355 /nfs/dbraw/zinc/39/83/55/1164398355.db2.gz QOYKXQIIENISBL-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576576637 1164400653 /nfs/dbraw/zinc/40/06/53/1164400653.db2.gz NUDSODLKUUYVRM-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576576637 1164400656 /nfs/dbraw/zinc/40/06/56/1164400656.db2.gz NUDSODLKUUYVRM-NXEZZACHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)[C@H](C)C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001576602588 1164407658 /nfs/dbraw/zinc/40/76/58/1164407658.db2.gz ZGKJOFUCYMRUQM-UWVGGRQHSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@H](C)[C@H](C)C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001576602588 1164407664 /nfs/dbraw/zinc/40/76/64/1164407664.db2.gz ZGKJOFUCYMRUQM-UWVGGRQHSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576596036 1164408445 /nfs/dbraw/zinc/40/84/45/1164408445.db2.gz MUSAYKINYPOZDC-ZJUUUORDSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576596036 1164408448 /nfs/dbraw/zinc/40/84/48/1164408448.db2.gz MUSAYKINYPOZDC-ZJUUUORDSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576604378 1164409572 /nfs/dbraw/zinc/40/95/72/1164409572.db2.gz HDTDJQVXMNSGFL-RKDXNWHRSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576604378 1164409575 /nfs/dbraw/zinc/40/95/75/1164409575.db2.gz HDTDJQVXMNSGFL-RKDXNWHRSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576603794 1164409775 /nfs/dbraw/zinc/40/97/75/1164409775.db2.gz AFEWFQGXJYDQOG-BBBLOLIVSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576603794 1164409778 /nfs/dbraw/zinc/40/97/78/1164409778.db2.gz AFEWFQGXJYDQOG-BBBLOLIVSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@H](CNC(=O)[C@@H](F)CC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576778619 1164461260 /nfs/dbraw/zinc/46/12/60/1164461260.db2.gz VVHUVELEPYYMGW-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](CNC(=O)[C@@H](F)CC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576778619 1164461265 /nfs/dbraw/zinc/46/12/65/1164461265.db2.gz VVHUVELEPYYMGW-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](CNC(=O)C1(C)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576780404 1164462216 /nfs/dbraw/zinc/46/22/16/1164462216.db2.gz XIHZGYWHLKGGBZ-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)C1(C)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576780404 1164462222 /nfs/dbraw/zinc/46/22/22/1164462222.db2.gz XIHZGYWHLKGGBZ-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)C1CC1)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576790335 1164464146 /nfs/dbraw/zinc/46/41/46/1164464146.db2.gz ZWWQECBWDJWYFX-SNVBAGLBSA-N -1 1 316.369 0.682 20 0 DCADMM CC[C@H](CNC(=O)C1CC1)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576790335 1164464149 /nfs/dbraw/zinc/46/41/49/1164464149.db2.gz ZWWQECBWDJWYFX-SNVBAGLBSA-N -1 1 316.369 0.682 20 0 DCADMM CC[C@H](CNC(=O)CC(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576803092 1164470323 /nfs/dbraw/zinc/47/03/23/1164470323.db2.gz MGJNELJMLZEBLN-SNVBAGLBSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576846578 1164492650 /nfs/dbraw/zinc/49/26/50/1164492650.db2.gz OOHNIPYBWWBDMO-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576846578 1164492653 /nfs/dbraw/zinc/49/26/53/1164492653.db2.gz OOHNIPYBWWBDMO-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM COC(=O)[C@H](Cc1c[nH]nn1)NCc1ccc(O)c(F)c1F ZINC001576913897 1164531077 /nfs/dbraw/zinc/53/10/77/1164531077.db2.gz SMVZXIXVIHQSFF-VIFPVBQESA-N -1 1 312.276 0.662 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576927311 1164536820 /nfs/dbraw/zinc/53/68/20/1164536820.db2.gz VHMISRSKCLEIPC-DTWKUNHWSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576927311 1164536828 /nfs/dbraw/zinc/53/68/28/1164536828.db2.gz VHMISRSKCLEIPC-DTWKUNHWSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576936025 1164543190 /nfs/dbraw/zinc/54/31/90/1164543190.db2.gz DFTCVCKCORYJGP-DTWKUNHWSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576936025 1164543199 /nfs/dbraw/zinc/54/31/99/1164543199.db2.gz DFTCVCKCORYJGP-DTWKUNHWSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576937668 1164544272 /nfs/dbraw/zinc/54/42/72/1164544272.db2.gz WKZLMTWBUNUHAG-RKDXNWHRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576937668 1164544281 /nfs/dbraw/zinc/54/42/81/1164544281.db2.gz WKZLMTWBUNUHAG-RKDXNWHRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001576957392 1164557412 /nfs/dbraw/zinc/55/74/12/1164557412.db2.gz RWHDYHVRUOHJAK-DTWKUNHWSA-N -1 1 322.348 0.569 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001576957392 1164557420 /nfs/dbraw/zinc/55/74/20/1164557420.db2.gz RWHDYHVRUOHJAK-DTWKUNHWSA-N -1 1 322.348 0.569 20 0 DCADMM CCCC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001577213930 1164635612 /nfs/dbraw/zinc/63/56/12/1164635612.db2.gz SIUMUQYWMIRPRA-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001577213930 1164635613 /nfs/dbraw/zinc/63/56/13/1164635613.db2.gz SIUMUQYWMIRPRA-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CCC[C@](C)(O)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577253670 1164651945 /nfs/dbraw/zinc/65/19/45/1164651945.db2.gz GKIGPRKUNBZIHH-AWEZNQCLSA-N -1 1 320.353 0.557 20 0 DCADMM CCCCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001577417751 1164688036 /nfs/dbraw/zinc/68/80/36/1164688036.db2.gz VOISQYIYUQRCEU-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCCCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001577417751 1164688039 /nfs/dbraw/zinc/68/80/39/1164688039.db2.gz VOISQYIYUQRCEU-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCCC[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC ZINC001577476884 1164699095 /nfs/dbraw/zinc/69/90/95/1164699095.db2.gz FKIBZNFSZXOCGO-JTQLQIEISA-N -1 1 318.385 0.576 20 0 DCADMM CCN(CC(C)=O)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577874566 1164820386 /nfs/dbraw/zinc/82/03/86/1164820386.db2.gz XVAXMOPCDVFYDT-UHFFFAOYSA-N -1 1 304.310 0.327 20 0 DCADMM O=C([N-]OCc1c[nH]nn1)[C@H](O)c1ccc(Cl)cc1F ZINC001578016237 1164894670 /nfs/dbraw/zinc/89/46/70/1164894670.db2.gz WCYRDQDOUVEWPJ-SNVBAGLBSA-N -1 1 300.677 0.879 20 0 DCADMM CCO[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001578378913 1164991938 /nfs/dbraw/zinc/99/19/38/1164991938.db2.gz UFEKLUWDZRKYMV-DGCLKSJQSA-N -1 1 316.365 0.878 20 0 DCADMM CCO[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001578378913 1164991944 /nfs/dbraw/zinc/99/19/44/1164991944.db2.gz UFEKLUWDZRKYMV-DGCLKSJQSA-N -1 1 316.365 0.878 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001578435923 1165015011 /nfs/dbraw/zinc/01/50/11/1165015011.db2.gz VHUJBZOPNGPIQP-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001578435923 1165015019 /nfs/dbraw/zinc/01/50/19/1165015019.db2.gz VHUJBZOPNGPIQP-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CC[C@@H]1C[C@H]1Cn1c(=O)c(-c2nn[n-]n2)c(C)n(C2CC2)c1=O ZINC001578438997 1165016893 /nfs/dbraw/zinc/01/68/93/1165016893.db2.gz SOCDQWUDNWUMFK-ZJUUUORDSA-N -1 1 316.365 0.880 20 0 DCADMM CCc1nc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)co1 ZINC001578619704 1165071050 /nfs/dbraw/zinc/07/10/50/1165071050.db2.gz KMLKQXBIAONIIJ-UHFFFAOYSA-N -1 1 317.309 0.572 20 0 DCADMM CCc1nc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)co1 ZINC001578619704 1165071052 /nfs/dbraw/zinc/07/10/52/1165071052.db2.gz KMLKQXBIAONIIJ-UHFFFAOYSA-N -1 1 317.309 0.572 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1nncs1 ZINC001579129722 1165218546 /nfs/dbraw/zinc/21/85/46/1165218546.db2.gz DWUXEOFGZLCWBD-UHFFFAOYSA-N -1 1 320.386 0.088 20 0 DCADMM CN(CCNC(=O)C1(C)CCC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001579161318 1165226568 /nfs/dbraw/zinc/22/65/68/1165226568.db2.gz FLPCNIOXRPVZNR-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)C1(C)CCC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001579161318 1165226575 /nfs/dbraw/zinc/22/65/75/1165226575.db2.gz FLPCNIOXRPVZNR-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)C1CCCC1)c1cncc(-c2nnn[n-]2)n1 ZINC001579169285 1165229489 /nfs/dbraw/zinc/22/94/89/1165229489.db2.gz NKSLKZPCPZLOAA-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)C1CCCC1)c1cncc(-c2nn[n-]n2)n1 ZINC001579169285 1165229497 /nfs/dbraw/zinc/22/94/97/1165229497.db2.gz NKSLKZPCPZLOAA-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)C1CCCC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001579170243 1165230937 /nfs/dbraw/zinc/23/09/37/1165230937.db2.gz ZHQSXHGREIOSJT-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)C1CCCC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001579170243 1165230945 /nfs/dbraw/zinc/23/09/45/1165230945.db2.gz ZHQSXHGREIOSJT-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)c1ccoc1 ZINC001579220237 1165242381 /nfs/dbraw/zinc/24/23/81/1165242381.db2.gz QMQYMSWZBWYRAD-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)c1ccoc1 ZINC001579220237 1165242392 /nfs/dbraw/zinc/24/23/92/1165242392.db2.gz QMQYMSWZBWYRAD-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM CN(CCS(C)(=O)=O)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579230142 1165245094 /nfs/dbraw/zinc/24/50/94/1165245094.db2.gz WUWFXBCFHBDWQC-UHFFFAOYSA-N -1 1 315.380 0.045 20 0 DCADMM COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579451226 1165313523 /nfs/dbraw/zinc/31/35/23/1165313523.db2.gz QEICSNWZGOAFHE-WCBMZHEXSA-N -1 1 319.321 0.921 20 0 DCADMM COC(=O)C[C@@H]1CCC[C@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579451226 1165313528 /nfs/dbraw/zinc/31/35/28/1165313528.db2.gz QEICSNWZGOAFHE-WCBMZHEXSA-N -1 1 319.321 0.921 20 0 DCADMM COC[C@H]1C[N@@H+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001579746627 1165385375 /nfs/dbraw/zinc/38/53/75/1165385375.db2.gz CTXWAXCNMCKYFY-KGLIPLIRSA-N -1 1 319.365 0.247 20 0 DCADMM COCC1(NC(=O)c2csc(-c3nn[n-]n3)c2)CCOCC1 ZINC001579747503 1165388338 /nfs/dbraw/zinc/38/83/38/1165388338.db2.gz OXEMEUQQYKSPFT-UHFFFAOYSA-N -1 1 323.378 0.854 20 0 DCADMM COCc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)no1 ZINC001579826172 1165402955 /nfs/dbraw/zinc/40/29/55/1165402955.db2.gz HLQCJIXOJVDXFM-UHFFFAOYSA-N -1 1 315.293 0.326 20 0 DCADMM COCc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)no1 ZINC001579826172 1165402964 /nfs/dbraw/zinc/40/29/64/1165402964.db2.gz HLQCJIXOJVDXFM-UHFFFAOYSA-N -1 1 315.293 0.326 20 0 DCADMM COc1ccc(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1 ZINC001580046934 1165486031 /nfs/dbraw/zinc/48/60/31/1165486031.db2.gz UUTDEXPCPRPDIF-UHFFFAOYSA-N -1 1 315.293 0.418 20 0 DCADMM COc1cn(C)nc1[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001580100398 1165502641 /nfs/dbraw/zinc/50/26/41/1165502641.db2.gz PNCGHKCLNPNZDC-ZETCQYMHSA-N -1 1 317.309 0.693 20 0 DCADMM COc1cn(C)nc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001580100398 1165502643 /nfs/dbraw/zinc/50/26/43/1165502643.db2.gz PNCGHKCLNPNZDC-ZETCQYMHSA-N -1 1 317.309 0.693 20 0 DCADMM COc1ncc(NC(=O)c2ccc(=O)[nH]n2)cc1-c1nn[n-]n1 ZINC001580138259 1165515940 /nfs/dbraw/zinc/51/59/40/1165515940.db2.gz IXPWELMSSZHGQC-UHFFFAOYSA-N -1 1 314.265 0.018 20 0 DCADMM COc1ncccc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001580146496 1165519060 /nfs/dbraw/zinc/51/90/60/1165519060.db2.gz ADWRQJRDFVCITH-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1ncccc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001580146496 1165519065 /nfs/dbraw/zinc/51/90/65/1165519065.db2.gz ADWRQJRDFVCITH-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C)CCC1 ZINC001580293928 1165561060 /nfs/dbraw/zinc/56/10/60/1165561060.db2.gz OHPDSXPQJAYBHK-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C)CCC1 ZINC001580293928 1165561070 /nfs/dbraw/zinc/56/10/70/1165561070.db2.gz OHPDSXPQJAYBHK-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H]1CCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001580313167 1165567812 /nfs/dbraw/zinc/56/78/12/1165567812.db2.gz UGYQUOSXDVXATG-NXEZZACHSA-N -1 1 319.373 0.288 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CCCC1 ZINC001580422787 1165600237 /nfs/dbraw/zinc/60/02/37/1165600237.db2.gz YUBUTGAGTAAPNS-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CCCC1 ZINC001580422787 1165600243 /nfs/dbraw/zinc/60/02/43/1165600243.db2.gz YUBUTGAGTAAPNS-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001580452439 1165605774 /nfs/dbraw/zinc/60/57/74/1165605774.db2.gz OAYFTSLTUXNYSQ-GUBZILKMSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001580452439 1165605778 /nfs/dbraw/zinc/60/57/78/1165605778.db2.gz OAYFTSLTUXNYSQ-GUBZILKMSA-N -1 1 314.353 0.008 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C/C=C/c2ccccc2)c(=O)n1C ZINC001580522440 1165629289 /nfs/dbraw/zinc/62/92/89/1165629289.db2.gz PWRHNWVSHPJIPE-RMKNXTFCSA-N -1 1 324.344 0.749 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@H](O)C1(C)C ZINC001580598498 1165649523 /nfs/dbraw/zinc/64/95/23/1165649523.db2.gz XZGQTFLGAUTLOY-VIFPVBQESA-N -1 1 318.337 0.261 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H]1CC[C@H](C)O1 ZINC001580604240 1165653193 /nfs/dbraw/zinc/65/31/93/1165653193.db2.gz OZHBKKISDZDUSW-DTWKUNHWSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)C2(C)CC2)n1 ZINC001580639041 1165669253 /nfs/dbraw/zinc/66/92/53/1165669253.db2.gz BKEPTLASXARMGL-UHFFFAOYSA-N -1 1 316.369 0.318 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)C2(C)CC2)n1 ZINC001580639041 1165669256 /nfs/dbraw/zinc/66/92/56/1165669256.db2.gz BKEPTLASXARMGL-UHFFFAOYSA-N -1 1 316.369 0.318 20 0 DCADMM O=C(NCC[C@@H]1CNCCS1(=O)=O)c1ccc(F)c([O-])c1 ZINC001580679383 1165684829 /nfs/dbraw/zinc/68/48/29/1165684829.db2.gz IINXZCGTYADMCR-SNVBAGLBSA-N -1 1 316.354 0.038 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCN(C)C(=O)CC(C)C)n1 ZINC001580745407 1165706895 /nfs/dbraw/zinc/70/68/95/1165706895.db2.gz DTHAEOWUWYRPSK-UHFFFAOYSA-N -1 1 318.385 0.882 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCN(C)C(=O)CC(C)C)n1 ZINC001580745407 1165706901 /nfs/dbraw/zinc/70/69/01/1165706901.db2.gz DTHAEOWUWYRPSK-UHFFFAOYSA-N -1 1 318.385 0.882 20 0 DCADMM Cc1cc(C)c(-c2nn[nH]n2)c(SCc2nc(=O)n(C)[n-]2)n1 ZINC001580891982 1165753608 /nfs/dbraw/zinc/75/36/08/1165753608.db2.gz OXFRNCMVIMFZIJ-UHFFFAOYSA-N -1 1 318.366 0.593 20 0 DCADMM Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)nc1 ZINC001581197544 1165795658 /nfs/dbraw/zinc/79/56/58/1165795658.db2.gz CKSUWXNZCMZDKP-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)nc1 ZINC001581197544 1165795665 /nfs/dbraw/zinc/79/56/65/1165795665.db2.gz CKSUWXNZCMZDKP-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1ccc(Oc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1C ZINC001581211130 1165797829 /nfs/dbraw/zinc/79/78/29/1165797829.db2.gz TVIBYPGEJMQADF-UHFFFAOYSA-N -1 1 314.305 0.663 20 0 DCADMM Cc1cncc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC001581328253 1165813255 /nfs/dbraw/zinc/81/32/55/1165813255.db2.gz ZEPVCEDGKHONIQ-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1cncc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC001581328253 1165813262 /nfs/dbraw/zinc/81/32/62/1165813262.db2.gz ZEPVCEDGKHONIQ-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1cnn(CCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001581352494 1165817247 /nfs/dbraw/zinc/81/72/47/1165817247.db2.gz TVIJSICNNUBRJU-UHFFFAOYSA-N -1 1 301.314 0.134 20 0 DCADMM Cc1cnn(CCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001581352494 1165817253 /nfs/dbraw/zinc/81/72/53/1165817253.db2.gz TVIJSICNNUBRJU-UHFFFAOYSA-N -1 1 301.314 0.134 20 0 DCADMM Cc1noc([C@@H]2OCC[C@@H]2Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001581637153 1165854866 /nfs/dbraw/zinc/85/48/66/1165854866.db2.gz GRNYHRQXACWCSW-OIBJUYFYSA-N -1 1 315.297 0.290 20 0 DCADMM Cc1noc([C@@H]2OCC[C@@H]2Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001581637153 1165854868 /nfs/dbraw/zinc/85/48/68/1165854868.db2.gz GRNYHRQXACWCSW-OIBJUYFYSA-N -1 1 315.297 0.290 20 0 DCADMM Cn1c(=O)[nH]c(Oc2ccc(Cl)cc2)c(-c2nn[n-]n2)c1=O ZINC001581748608 1165863564 /nfs/dbraw/zinc/86/35/64/1165863564.db2.gz LBXDZJIJEHODKD-UHFFFAOYSA-N -1 1 320.696 0.699 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C3CC3)n(C)n2)n1 ZINC001581754953 1165870716 /nfs/dbraw/zinc/87/07/16/1165870716.db2.gz WPDMXPVMXCZDLU-UHFFFAOYSA-N -1 1 313.325 0.463 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C3CC3)n(C)n2)n1 ZINC001581754953 1165870724 /nfs/dbraw/zinc/87/07/24/1165870724.db2.gz WPDMXPVMXCZDLU-UHFFFAOYSA-N -1 1 313.325 0.463 20 0 DCADMM Cn1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[nH]c1=O ZINC001581764777 1165871197 /nfs/dbraw/zinc/87/11/97/1165871197.db2.gz PBSIKJRAMKLAGO-UHFFFAOYSA-N -1 1 301.266 0.264 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3ncncc3-c3nn[n-]n3)C2)nn1 ZINC001581767223 1165871287 /nfs/dbraw/zinc/87/12/87/1165871287.db2.gz QCMPJUNRMLCZRV-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM NC(=O)c1cccc(CSc2cncc(-c3nnn[n-]3)n2)n1 ZINC001581905292 1165910122 /nfs/dbraw/zinc/91/01/22/1165910122.db2.gz AOJVBCOYQUEONG-UHFFFAOYSA-N -1 1 314.334 0.443 20 0 DCADMM NC(=O)c1cccc(CSc2cncc(-c3nn[n-]n3)n2)n1 ZINC001581905292 1165910133 /nfs/dbraw/zinc/91/01/33/1165910133.db2.gz AOJVBCOYQUEONG-UHFFFAOYSA-N -1 1 314.334 0.443 20 0 DCADMM O=C(C1CCC1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001581933939 1165916280 /nfs/dbraw/zinc/91/62/80/1165916280.db2.gz OQMMLXBPOINUGF-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C1CCC1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001581933939 1165916286 /nfs/dbraw/zinc/91/62/86/1165916286.db2.gz OQMMLXBPOINUGF-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C[C@H]1CCCC(=O)N1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581982188 1165930173 /nfs/dbraw/zinc/93/01/73/1165930173.db2.gz XPFOZLQEGCEGET-MRVPVSSYSA-N -1 1 320.378 0.603 20 0 DCADMM O=C(N[C@H]1CC[C@@H](O)[C@@H](O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582328410 1166002587 /nfs/dbraw/zinc/00/25/87/1166002587.db2.gz QAOWVOZYEKLTIW-XROYCOCOSA-N -1 1 321.312 0.010 20 0 DCADMM O=C(N[C@H]1CC[C@@H](O)[C@@H](O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582328410 1166002590 /nfs/dbraw/zinc/00/25/90/1166002590.db2.gz QAOWVOZYEKLTIW-XROYCOCOSA-N -1 1 321.312 0.010 20 0 DCADMM O=C(NC[C@@H](O)c1cncs1)c1ccc(-c2nnn[n-]2)s1 ZINC001582381647 1166008590 /nfs/dbraw/zinc/00/85/90/1166008590.db2.gz MJDKFTILKYZKTK-ZCFIWIBFSA-N -1 1 322.375 0.848 20 0 DCADMM O=C(NC[C@@H](O)c1cncs1)c1ccc(-c2nn[n-]n2)s1 ZINC001582381647 1166008595 /nfs/dbraw/zinc/00/85/95/1166008595.db2.gz MJDKFTILKYZKTK-ZCFIWIBFSA-N -1 1 322.375 0.848 20 0 DCADMM O=C(NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001582448383 1166021460 /nfs/dbraw/zinc/02/14/60/1166021460.db2.gz IPUZNTWXZDTFEY-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001582448383 1166021473 /nfs/dbraw/zinc/02/14/73/1166021473.db2.gz IPUZNTWXZDTFEY-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001582535613 1166033997 /nfs/dbraw/zinc/03/39/97/1166033997.db2.gz PREYREDUEYYFJN-WAAGHKOSSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001582535613 1166034001 /nfs/dbraw/zinc/03/40/01/1166034001.db2.gz PREYREDUEYYFJN-WAAGHKOSSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCc1cnc(Cl)cn1)c1cccc(-c2nnn[n-]2)n1 ZINC001582556684 1166042202 /nfs/dbraw/zinc/04/22/02/1166042202.db2.gz GRBXYRHJKQXLKT-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(NCc1cnc(Cl)cn1)c1cccc(-c2nn[n-]n2)n1 ZINC001582556684 1166042206 /nfs/dbraw/zinc/04/22/06/1166042206.db2.gz GRBXYRHJKQXLKT-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccnc(CO)c1 ZINC001582559668 1166043828 /nfs/dbraw/zinc/04/38/28/1166043828.db2.gz YXTIBQOYWTXSSL-UHFFFAOYSA-N -1 1 317.334 0.141 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccnc(CO)c1 ZINC001582559668 1166043833 /nfs/dbraw/zinc/04/38/33/1166043833.db2.gz YXTIBQOYWTXSSL-UHFFFAOYSA-N -1 1 317.334 0.141 20 0 DCADMM O=C(NN1CCOC1=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001582561438 1166045901 /nfs/dbraw/zinc/04/59/01/1166045901.db2.gz FRXNZHVVFNFOSA-UHFFFAOYSA-N -1 1 313.277 0.445 20 0 DCADMM O=C(Nc1ccnc(OCCO)c1)c1coc(-c2nnn[n-]2)c1 ZINC001582647521 1166058759 /nfs/dbraw/zinc/05/87/59/1166058759.db2.gz BCEOTACJFODCCC-UHFFFAOYSA-N -1 1 316.277 0.478 20 0 DCADMM O=C(Nc1ccnc(OCCO)c1)c1coc(-c2nn[n-]n2)c1 ZINC001582647521 1166058765 /nfs/dbraw/zinc/05/87/65/1166058765.db2.gz BCEOTACJFODCCC-UHFFFAOYSA-N -1 1 316.277 0.478 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cccnc1C(F)(F)F ZINC001582806753 1166085820 /nfs/dbraw/zinc/08/58/20/1166085820.db2.gz IQZHPWWAPIUWCC-UHFFFAOYSA-N -1 1 323.238 0.886 20 0 DCADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1Cc1ncccn1 ZINC001582806343 1166087131 /nfs/dbraw/zinc/08/71/31/1166087131.db2.gz NYSLGUUXYQTOOP-UHFFFAOYSA-N -1 1 323.238 0.886 20 0 DCADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1cc3n(n1)CCC3)CCC2 ZINC001582807213 1166088014 /nfs/dbraw/zinc/08/80/14/1166088014.db2.gz YIKXDKGYVOFKEW-UHFFFAOYSA-N -1 1 323.360 0.708 20 0 DCADMM O=c1onc(-c2ncccn2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001582808496 1166089851 /nfs/dbraw/zinc/08/98/51/1166089851.db2.gz HGGFGBKIEOXBFA-UHFFFAOYSA-N -1 1 312.249 0.115 20 0 DCADMM O=c1onc(-c2ncccn2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001582808496 1166089856 /nfs/dbraw/zinc/08/98/56/1166089856.db2.gz HGGFGBKIEOXBFA-UHFFFAOYSA-N -1 1 312.249 0.115 20 0 DCADMM OC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@H](O)C1CCCCC1 ZINC001582810948 1166091011 /nfs/dbraw/zinc/09/10/11/1166091011.db2.gz WTCVXGLNNIXEOS-DGCLKSJQSA-N -1 1 319.369 0.371 20 0 DCADMM OC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@H](O)C1CCCCC1 ZINC001582810948 1166091019 /nfs/dbraw/zinc/09/10/19/1166091019.db2.gz WTCVXGLNNIXEOS-DGCLKSJQSA-N -1 1 319.369 0.371 20 0 DCADMM OC[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)[C@H]1CCOC1 ZINC001582813286 1166093646 /nfs/dbraw/zinc/09/36/46/1166093646.db2.gz ZLIBNNORKSFWDE-WDSKDSINSA-N -1 1 316.774 0.786 20 0 DCADMM OCc1cc(CCNc2ccc(-c3nnn[n-]3)nn2)ccc1O ZINC001582813730 1166095092 /nfs/dbraw/zinc/09/50/92/1166095092.db2.gz BEGVDBHAPSBHCN-UHFFFAOYSA-N -1 1 313.321 0.509 20 0 DCADMM OCc1cc(CCNc2ccc(-c3nn[n-]n3)nn2)ccc1O ZINC001582813730 1166095100 /nfs/dbraw/zinc/09/51/00/1166095100.db2.gz BEGVDBHAPSBHCN-UHFFFAOYSA-N -1 1 313.321 0.509 20 0 DCADMM c1c(CCNc2cncc(-c3nnn[n-]3)n2)nc2ccccn12 ZINC001582819154 1166098290 /nfs/dbraw/zinc/09/82/90/1166098290.db2.gz OGLJNBIKHIYDNE-UHFFFAOYSA-N -1 1 307.321 0.959 20 0 DCADMM c1c(CCNc2cncc(-c3nn[n-]n3)n2)nc2ccccn12 ZINC001582819154 1166098297 /nfs/dbraw/zinc/09/82/97/1166098297.db2.gz OGLJNBIKHIYDNE-UHFFFAOYSA-N -1 1 307.321 0.959 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC001584438993 1166326575 /nfs/dbraw/zinc/32/65/75/1166326575.db2.gz AZDBXQVZQKJEJY-CAHLUQPWSA-N -1 1 306.351 0.807 20 0 DCADMM CC1N=NC(C(=O)Nc2ccc([C@@H]3NC(=O)NC3=O)cc2)=C1[O-] ZINC001585916031 1166467994 /nfs/dbraw/zinc/46/79/94/1166467994.db2.gz UEBSPLQOWRFTFP-VIFPVBQESA-N -1 1 315.289 0.557 20 0 DCADMM C/C=C(\C)C(=O)NC[C@]1(O)CCN(C(=O)c2ncccc2[O-])C1 ZINC001586268817 1166491477 /nfs/dbraw/zinc/49/14/77/1166491477.db2.gz BNZFXBSONYQYLX-YEKUJUBSSA-N -1 1 319.361 0.447 20 0 DCADMM Cc1nonc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001586304964 1166493857 /nfs/dbraw/zinc/49/38/57/1166493857.db2.gz OIDZTOHQOOXGTB-UHFFFAOYSA-N -1 1 301.266 0.722 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c1 ZINC001586538442 1166495248 /nfs/dbraw/zinc/49/52/48/1166495248.db2.gz HYKMMNMHIRSGTO-SWLSCSKDSA-N -1 1 319.405 0.877 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)c1 ZINC001586538443 1166495424 /nfs/dbraw/zinc/49/54/24/1166495424.db2.gz HYKMMNMHIRSGTO-WFASDCNBSA-N -1 1 319.405 0.877 20 0 DCADMM O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)c1ccc(F)c([O-])c1 ZINC001586849268 1166499327 /nfs/dbraw/zinc/49/93/27/1166499327.db2.gz QVUVIGXEQHUKNA-BJOHPYRUSA-N -1 1 321.308 0.639 20 0 DCADMM O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)c1ccc(F)c([O-])c1 ZINC001586849287 1166499903 /nfs/dbraw/zinc/49/99/03/1166499903.db2.gz QVUVIGXEQHUKNA-RFAUZJTJSA-N -1 1 321.308 0.639 20 0 DCADMM C/C(=C/C(=O)NCCNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588760947 1166586031 /nfs/dbraw/zinc/58/60/31/1166586031.db2.gz CRXQVOSYOVDPPA-TWGQIWQCSA-N -1 1 314.353 0.541 20 0 DCADMM C/C(=C/C(=O)NCCNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588760947 1166586042 /nfs/dbraw/zinc/58/60/42/1166586042.db2.gz CRXQVOSYOVDPPA-TWGQIWQCSA-N -1 1 314.353 0.541 20 0 DCADMM CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001588816027 1166596397 /nfs/dbraw/zinc/59/63/97/1166596397.db2.gz SAGULLOBFDELMG-MNOVXSKESA-N -1 1 314.353 0.246 20 0 DCADMM CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001588816027 1166596406 /nfs/dbraw/zinc/59/64/06/1166596406.db2.gz SAGULLOBFDELMG-MNOVXSKESA-N -1 1 314.353 0.246 20 0 DCADMM CC(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001588815881 1166597669 /nfs/dbraw/zinc/59/76/69/1166597669.db2.gz HQPZRUAYPVKLGF-AWEZNQCLSA-N -1 1 314.353 0.105 20 0 DCADMM CC(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001588815881 1166597671 /nfs/dbraw/zinc/59/76/71/1166597671.db2.gz HQPZRUAYPVKLGF-AWEZNQCLSA-N -1 1 314.353 0.105 20 0 DCADMM CC(=O)N1CCC[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588815980 1166598676 /nfs/dbraw/zinc/59/86/76/1166598676.db2.gz OKYPVKCDFAHHMQ-ONGXEEELSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588815980 1166598684 /nfs/dbraw/zinc/59/86/84/1166598684.db2.gz OKYPVKCDFAHHMQ-ONGXEEELSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001588824294 1166599387 /nfs/dbraw/zinc/59/93/87/1166599387.db2.gz FBLFZGFJRBGYII-UHFFFAOYSA-N -1 1 314.353 0.203 20 0 DCADMM CC(=O)N1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001588824294 1166599393 /nfs/dbraw/zinc/59/93/93/1166599393.db2.gz FBLFZGFJRBGYII-UHFFFAOYSA-N -1 1 314.353 0.203 20 0 DCADMM CC(=O)N[C@@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001588838279 1166602880 /nfs/dbraw/zinc/60/28/80/1166602880.db2.gz WHLKCGFXOYOXLH-VIFPVBQESA-N -1 1 307.383 0.958 20 0 DCADMM CC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588840147 1166606749 /nfs/dbraw/zinc/60/67/49/1166606749.db2.gz MUYYHORVNCFBTM-ZJUUUORDSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588840147 1166606754 /nfs/dbraw/zinc/60/67/54/1166606754.db2.gz MUYYHORVNCFBTM-ZJUUUORDSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)NCC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588857645 1166610634 /nfs/dbraw/zinc/61/06/34/1166610634.db2.gz LXCIPRBKOFIWHW-NSHDSACASA-N -1 1 316.369 0.399 20 0 DCADMM C[C@H](C(=O)N1CCSC(C)(C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588960074 1166621457 /nfs/dbraw/zinc/62/14/57/1166621457.db2.gz OBKRBHXMUSZRMU-MRVPVSSYSA-N -1 1 322.398 0.373 20 0 DCADMM C[C@H](C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)n1cnc(-c2nn[n-]n2)n1 ZINC001588973206 1166623525 /nfs/dbraw/zinc/62/35/25/1166623525.db2.gz POKOQEZCRXWBDU-IMSYWVGJSA-N -1 1 302.342 0.324 20 0 DCADMM C[C@H](C(=O)NCC1CC(C)(C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588983779 1166623706 /nfs/dbraw/zinc/62/37/06/1166623706.db2.gz LZTUBTMWISUCBD-MRVPVSSYSA-N -1 1 304.358 0.572 20 0 DCADMM C[C@@H](C(=O)NCCSC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588991100 1166626327 /nfs/dbraw/zinc/62/63/27/1166626327.db2.gz AWQHNHBAYZBPQB-QMMMGPOBSA-N -1 1 324.414 0.667 20 0 DCADMM CC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589079007 1166633903 /nfs/dbraw/zinc/63/39/03/1166633903.db2.gz CMJOBOKCRDONOD-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589079007 1166633907 /nfs/dbraw/zinc/63/39/07/1166633907.db2.gz CMJOBOKCRDONOD-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)(C)NC(=O)CCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589139031 1166636743 /nfs/dbraw/zinc/63/67/43/1166636743.db2.gz IBLHSKDFKFBVNP-UHFFFAOYSA-N -1 1 306.326 0.494 20 0 DCADMM CC(C)(C)NC(=O)CCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589139031 1166636746 /nfs/dbraw/zinc/63/67/46/1166636746.db2.gz IBLHSKDFKFBVNP-UHFFFAOYSA-N -1 1 306.326 0.494 20 0 DCADMM CC(C)(C)OC(=O)NCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001589183260 1166639735 /nfs/dbraw/zinc/63/97/35/1166639735.db2.gz OVDSWBZCRXJZNL-UHFFFAOYSA-N -1 1 320.357 0.983 20 0 DCADMM CC(C)(C)OC(=O)NCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001589183260 1166639738 /nfs/dbraw/zinc/63/97/38/1166639738.db2.gz OVDSWBZCRXJZNL-UHFFFAOYSA-N -1 1 320.357 0.983 20 0 DCADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)o1)S(C)(=O)=O ZINC001589283271 1166641815 /nfs/dbraw/zinc/64/18/15/1166641815.db2.gz NOAGMXDIAVHPFQ-UHFFFAOYSA-N -1 1 313.339 0.013 20 0 DCADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)o1)S(C)(=O)=O ZINC001589283271 1166641816 /nfs/dbraw/zinc/64/18/16/1166641816.db2.gz NOAGMXDIAVHPFQ-UHFFFAOYSA-N -1 1 313.339 0.013 20 0 DCADMM CC(C)C(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589401596 1166653789 /nfs/dbraw/zinc/65/37/89/1166653789.db2.gz RODIAHSWLCCSON-BDAKNGLRSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589401596 1166653795 /nfs/dbraw/zinc/65/37/95/1166653795.db2.gz RODIAHSWLCCSON-BDAKNGLRSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)N(C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001589394118 1166654275 /nfs/dbraw/zinc/65/42/75/1166654275.db2.gz PQRUHMLTCFUMRB-UHFFFAOYSA-N -1 1 316.365 0.589 20 0 DCADMM CC(C)C(C)(C)C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589421983 1166655913 /nfs/dbraw/zinc/65/59/13/1166655913.db2.gz GVYKSTZYWSWYRL-UHFFFAOYSA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)C(C)(C)C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589421983 1166655918 /nfs/dbraw/zinc/65/59/18/1166655918.db2.gz GVYKSTZYWSWYRL-UHFFFAOYSA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)[C@H](C)C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001589432371 1166658333 /nfs/dbraw/zinc/65/83/33/1166658333.db2.gz DMWOYUKTMAWGAC-JTQLQIEISA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)[C@H](C)C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001589432371 1166658341 /nfs/dbraw/zinc/65/83/41/1166658341.db2.gz DMWOYUKTMAWGAC-JTQLQIEISA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCCO1 ZINC001589516591 1166665268 /nfs/dbraw/zinc/66/52/68/1166665268.db2.gz FMMKAMUQCGGEBZ-ZDUSSCGKSA-N -1 1 318.381 0.733 20 0 DCADMM CC(C)NC(=O)NCCOC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589724416 1166678739 /nfs/dbraw/zinc/67/87/39/1166678739.db2.gz OBDOIKSIXJMKOF-UHFFFAOYSA-N -1 1 308.298 0.324 20 0 DCADMM CC(C)OC[C@@H](O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589745713 1166680203 /nfs/dbraw/zinc/68/02/03/1166680203.db2.gz BAZOIGQMJLUPJM-MRVPVSSYSA-N -1 1 312.351 0.871 20 0 DCADMM CC(C)OC[C@@H](O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589745713 1166680207 /nfs/dbraw/zinc/68/02/07/1166680207.db2.gz BAZOIGQMJLUPJM-MRVPVSSYSA-N -1 1 312.351 0.871 20 0 DCADMM CC(C)OC[C@H](CO)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589746668 1166681248 /nfs/dbraw/zinc/68/12/48/1166681248.db2.gz ZYEZDGSWFZCORW-VIFPVBQESA-N -1 1 309.326 0.318 20 0 DCADMM CC(C)OC[C@H](CO)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589746668 1166681251 /nfs/dbraw/zinc/68/12/51/1166681251.db2.gz ZYEZDGSWFZCORW-VIFPVBQESA-N -1 1 309.326 0.318 20 0 DCADMM CC(C)S(=O)(=O)N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589759130 1166683016 /nfs/dbraw/zinc/68/30/16/1166683016.db2.gz HRLJWIIHRVCVGT-UHFFFAOYSA-N -1 1 315.380 0.738 20 0 DCADMM CC(C)O[C@@H]1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001589749785 1166683696 /nfs/dbraw/zinc/68/36/96/1166683696.db2.gz JOXQIZZPNGFSLB-LLVKDONJSA-N -1 1 304.354 0.485 20 0 DCADMM CC(C)n1cnnc1CN(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589783847 1166685064 /nfs/dbraw/zinc/68/50/64/1166685064.db2.gz RTBUNFOCAGVMSE-UHFFFAOYSA-N -1 1 316.325 0.904 20 0 DCADMM CC(C)n1cnnc1CN(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589783847 1166685070 /nfs/dbraw/zinc/68/50/70/1166685070.db2.gz RTBUNFOCAGVMSE-UHFFFAOYSA-N -1 1 316.325 0.904 20 0 DCADMM CC(C)n1cccc1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589783249 1166685728 /nfs/dbraw/zinc/68/57/28/1166685728.db2.gz CPHJUZMOWVJDRF-UHFFFAOYSA-N -1 1 315.341 0.271 20 0 DCADMM CC(C)c1cc(NCCn2cnc(-c3nn[n-]n3)n2)ncn1 ZINC001589767056 1166686879 /nfs/dbraw/zinc/68/68/79/1166686879.db2.gz LGJLSEZRGLZIBN-UHFFFAOYSA-N -1 1 300.330 0.484 20 0 DCADMM C[C@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001589793913 1166688253 /nfs/dbraw/zinc/68/82/53/1166688253.db2.gz FEXDFWWAVZTIRP-SSDOTTSWSA-N -1 1 301.314 0.456 20 0 DCADMM C[C@H](C[C@H]1CCOC1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589804444 1166691063 /nfs/dbraw/zinc/69/10/63/1166691063.db2.gz ZMEGNLRSWVTIKT-NXEZZACHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](C[C@H]1CCOC1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589804444 1166691068 /nfs/dbraw/zinc/69/10/68/1166691068.db2.gz ZMEGNLRSWVTIKT-NXEZZACHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](C[C@@H](O)c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589802696 1166691611 /nfs/dbraw/zinc/69/16/11/1166691611.db2.gz HXERQLQRWQJDBJ-RKDXNWHRSA-N -1 1 301.310 0.596 20 0 DCADMM C[C@@H](CCO)CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589833717 1166694659 /nfs/dbraw/zinc/69/46/59/1166694659.db2.gz SOXXFDIPMKJKPV-MRVPVSSYSA-N -1 1 308.346 0.130 20 0 DCADMM C[C@@H](CCO)CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589833717 1166694663 /nfs/dbraw/zinc/69/46/63/1166694663.db2.gz SOXXFDIPMKJKPV-MRVPVSSYSA-N -1 1 308.346 0.130 20 0 DCADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)N1CCCCC1=O ZINC001589864822 1166702641 /nfs/dbraw/zinc/70/26/41/1166702641.db2.gz WXTPVSPUJFYLPX-VIFPVBQESA-N -1 1 318.337 0.591 20 0 DCADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)N1CCCCC1=O ZINC001589864822 1166702645 /nfs/dbraw/zinc/70/26/45/1166702645.db2.gz WXTPVSPUJFYLPX-VIFPVBQESA-N -1 1 318.337 0.591 20 0 DCADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589859806 1166703667 /nfs/dbraw/zinc/70/36/67/1166703667.db2.gz GNUWSDRMDREBSO-YIZRAAEISA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589859806 1166703674 /nfs/dbraw/zinc/70/36/74/1166703674.db2.gz GNUWSDRMDREBSO-YIZRAAEISA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N1CCc2ccccc21 ZINC001589880177 1166704337 /nfs/dbraw/zinc/70/43/37/1166704337.db2.gz RAOHIQKEMAYMPN-LLVKDONJSA-N -1 1 322.376 0.942 20 0 DCADMM C[C@H](CNc1cc(-c2nnn[n-]2)ncn1)N1CCCCC1=O ZINC001589876484 1166706154 /nfs/dbraw/zinc/70/61/54/1166706154.db2.gz XLKQCGVBIGXIIC-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM C[C@H](CNc1cc(-c2nn[n-]n2)ncn1)N1CCCCC1=O ZINC001589876484 1166706157 /nfs/dbraw/zinc/70/61/57/1166706157.db2.gz XLKQCGVBIGXIIC-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM C[C@@H](C[S@@](C)=O)N(C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589887867 1166708523 /nfs/dbraw/zinc/70/85/23/1166708523.db2.gz AOOXNEQYIGEZBB-QSIZCVBASA-N -1 1 323.382 0.492 20 0 DCADMM C[C@@H](C[S@@](C)=O)N(C)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589887867 1166708527 /nfs/dbraw/zinc/70/85/27/1166708527.db2.gz AOOXNEQYIGEZBB-QSIZCVBASA-N -1 1 323.382 0.492 20 0 DCADMM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589904296 1166713394 /nfs/dbraw/zinc/71/33/94/1166713394.db2.gz LFIPOFGPXCSCAV-VIFPVBQESA-N -1 1 312.337 0.813 20 0 DCADMM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589904296 1166713399 /nfs/dbraw/zinc/71/33/99/1166713399.db2.gz LFIPOFGPXCSCAV-VIFPVBQESA-N -1 1 312.337 0.813 20 0 DCADMM CC(F)(F)C[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001589908044 1166714324 /nfs/dbraw/zinc/71/43/24/1166714324.db2.gz AZBPOHALQCMSQU-UHFFFAOYSA-N -1 1 317.321 0.941 20 0 DCADMM C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ncnn1C ZINC001589947973 1166728941 /nfs/dbraw/zinc/72/89/41/1166728941.db2.gz BZYGXIZMCOPCOG-LURJTMIESA-N -1 1 304.339 0.548 20 0 DCADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)C1(S(C)(=O)=O)CC1 ZINC001589980106 1166735968 /nfs/dbraw/zinc/73/59/68/1166735968.db2.gz ICPANUCFMXZWAN-ZETCQYMHSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)C1(S(C)(=O)=O)CC1 ZINC001589980106 1166735973 /nfs/dbraw/zinc/73/59/73/1166735973.db2.gz ICPANUCFMXZWAN-ZETCQYMHSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H](O)[C@@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589997227 1166742891 /nfs/dbraw/zinc/74/28/91/1166742891.db2.gz VRKRJCRLZAMDEO-CMPLNLGQSA-N -1 1 316.365 0.424 20 0 DCADMM C[C@H](O)[C@@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589997227 1166742894 /nfs/dbraw/zinc/74/28/94/1166742894.db2.gz VRKRJCRLZAMDEO-CMPLNLGQSA-N -1 1 316.365 0.424 20 0 DCADMM C[C@H](O)CCN(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589998574 1166745217 /nfs/dbraw/zinc/74/52/17/1166745217.db2.gz JKXWMRPUTQXVJI-QMMMGPOBSA-N -1 1 310.383 0.841 20 0 DCADMM C[C@@H](O)CN(CC(F)F)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590001264 1166748157 /nfs/dbraw/zinc/74/81/57/1166748157.db2.gz VNWZZICAZHDHPE-SSDOTTSWSA-N -1 1 312.280 0.350 20 0 DCADMM C[C@@H](O)CN(CC(F)F)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590001264 1166748165 /nfs/dbraw/zinc/74/81/65/1166748165.db2.gz VNWZZICAZHDHPE-SSDOTTSWSA-N -1 1 312.280 0.350 20 0 DCADMM C[C@H](O)CN(CCO)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590002077 1166749860 /nfs/dbraw/zinc/74/98/60/1166749860.db2.gz OVMIBFQWPZWXDV-YFKPBYRVSA-N -1 1 304.763 0.156 20 0 DCADMM C[C@H](O)CN(CCO)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590002077 1166749867 /nfs/dbraw/zinc/74/98/67/1166749867.db2.gz OVMIBFQWPZWXDV-YFKPBYRVSA-N -1 1 304.763 0.156 20 0 DCADMM CC1(C(=O)NCCCNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001590067300 1166764215 /nfs/dbraw/zinc/76/42/15/1166764215.db2.gz FJTRHRZFEOZIJX-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CC1(C(=O)NCCCNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001590067300 1166764222 /nfs/dbraw/zinc/76/42/22/1166764222.db2.gz FJTRHRZFEOZIJX-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM C[C@]1(C(F)F)CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590072518 1166765789 /nfs/dbraw/zinc/76/57/89/1166765789.db2.gz GFNZWONUVPJHST-GFCCVEGCSA-N -1 1 313.264 0.956 20 0 DCADMM C[C@]1(C(F)F)CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590072518 1166765795 /nfs/dbraw/zinc/76/57/95/1166765795.db2.gz GFNZWONUVPJHST-GFCCVEGCSA-N -1 1 313.264 0.956 20 0 DCADMM C[C@@]1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCNC(=O)C1 ZINC001590072625 1166767061 /nfs/dbraw/zinc/76/70/61/1166767061.db2.gz 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ZINC001590098709 1166772905 /nfs/dbraw/zinc/77/29/05/1166772905.db2.gz ZTURTMQEZWKBMX-HNNXBMFYSA-N -1 1 316.365 0.933 20 0 DCADMM CC1(O)CCC(NC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590151237 1166791785 /nfs/dbraw/zinc/79/17/85/1166791785.db2.gz YCKBMARFGMKXCA-UHFFFAOYSA-N -1 1 302.338 0.685 20 0 DCADMM CC1(O)CCC(NC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590151237 1166791793 /nfs/dbraw/zinc/79/17/93/1166791793.db2.gz YCKBMARFGMKXCA-UHFFFAOYSA-N -1 1 302.338 0.685 20 0 DCADMM CC1=CCN(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2C)CC1 ZINC001590160824 1166792632 /nfs/dbraw/zinc/79/26/32/1166792632.db2.gz HOLLKYVFCIURGV-UHFFFAOYSA-N -1 1 312.341 0.542 20 0 DCADMM CC1=NO[C@H](COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590161615 1166794052 /nfs/dbraw/zinc/79/40/52/1166794052.db2.gz HROIHNSPDFTKNL-JTQLQIEISA-N -1 1 302.294 0.512 20 0 DCADMM CC1=NO[C@H](COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590161615 1166794054 /nfs/dbraw/zinc/79/40/54/1166794054.db2.gz HROIHNSPDFTKNL-JTQLQIEISA-N -1 1 302.294 0.512 20 0 DCADMM C[C@@H]1[C@H](C)N(C(=O)Cc2ccc(-c3nn[nH]n3)nc2)CC[N@@H+]1C ZINC001590170107 1166798218 /nfs/dbraw/zinc/79/82/18/1166798218.db2.gz ZWKHNVFMCFNWAB-MNOVXSKESA-N -1 1 315.381 0.355 20 0 DCADMM C[C@@H]1[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)CC(=O)N1C ZINC001590181253 1166801222 /nfs/dbraw/zinc/80/12/22/1166801222.db2.gz NEGHXGOMGNAGIP-RQJHMYQMSA-N -1 1 307.335 0.704 20 0 DCADMM C[C@@H]1[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)CC(=O)N1C ZINC001590181253 1166801227 /nfs/dbraw/zinc/80/12/27/1166801227.db2.gz NEGHXGOMGNAGIP-RQJHMYQMSA-N -1 1 307.335 0.704 20 0 DCADMM C[C@H]1C[C@@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCC1=O ZINC001590183760 1166803290 /nfs/dbraw/zinc/80/32/90/1166803290.db2.gz RYFLUKSDBJGQHL-ONGXEEELSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@H]1C[C@@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCC1=O ZINC001590183760 1166803303 /nfs/dbraw/zinc/80/33/03/1166803303.db2.gz RYFLUKSDBJGQHL-ONGXEEELSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590213456 1166814238 /nfs/dbraw/zinc/81/42/38/1166814238.db2.gz APWLQZPVGOXBBD-YUMQZZPRSA-N -1 1 304.358 0.219 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590213456 1166814241 /nfs/dbraw/zinc/81/42/41/1166814241.db2.gz APWLQZPVGOXBBD-YUMQZZPRSA-N -1 1 304.358 0.219 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)CS1(=O)=O ZINC001590241375 1166825222 /nfs/dbraw/zinc/82/52/22/1166825222.db2.gz WERWMENLJXRUII-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)CS1(=O)=O ZINC001590241375 1166825225 /nfs/dbraw/zinc/82/52/25/1166825225.db2.gz WERWMENLJXRUII-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM CC1CCN(C(=O)COC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001590264057 1166829236 /nfs/dbraw/zinc/82/92/36/1166829236.db2.gz NPZJRLFPQMKZRA-UHFFFAOYSA-N -1 1 319.321 0.875 20 0 DCADMM CC1CCN(C(=O)COC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001590264057 1166829240 /nfs/dbraw/zinc/82/92/40/1166829240.db2.gz NPZJRLFPQMKZRA-UHFFFAOYSA-N -1 1 319.321 0.875 20 0 DCADMM 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DCADMM C[C@H]1OCC[C@]1(C)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590336577 1166873715 /nfs/dbraw/zinc/87/37/15/1166873715.db2.gz QIHZKZCWTYQZGV-KRTXAFLBSA-N -1 1 323.382 0.690 20 0 DCADMM C/C=C(/C)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001590348563 1166879496 /nfs/dbraw/zinc/87/94/96/1166879496.db2.gz UOILVPBOFHUIMJ-BSKOKIOFSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(/C)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001590348563 1166879501 /nfs/dbraw/zinc/87/95/01/1166879501.db2.gz UOILVPBOFHUIMJ-BSKOKIOFSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C\C[C@@H](CO)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001590351861 1166881379 /nfs/dbraw/zinc/88/13/79/1166881379.db2.gz IKHRCKDBCFGNIK-TYRPZCRBSA-N -1 1 318.337 0.333 20 0 DCADMM CCC(=O)N1C[C@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590359579 1166885305 /nfs/dbraw/zinc/88/53/05/1166885305.db2.gz DKDOKCSXNDLMIF-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N1C[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590359579 1166885309 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CN(CCCNc1cncc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001591084782 1167099681 /nfs/dbraw/zinc/09/96/81/1167099681.db2.gz NBGPOVQXLMMVCD-UHFFFAOYSA-N -1 1 311.353 0.990 20 0 DCADMM CN(CCCNc1cncc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001591084782 1167099686 /nfs/dbraw/zinc/09/96/86/1167099686.db2.gz NBGPOVQXLMMVCD-UHFFFAOYSA-N -1 1 311.353 0.990 20 0 DCADMM CN(CCNc1ncncc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001591107692 1167105386 /nfs/dbraw/zinc/10/53/86/1167105386.db2.gz BLWVFKGWQDPVEG-UHFFFAOYSA-N -1 1 320.357 0.936 20 0 DCADMM CN1C[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)s2)CC1=O ZINC001591168587 1167122168 /nfs/dbraw/zinc/12/21/68/1167122168.db2.gz QETVJYKARBDHOA-SSDOTTSWSA-N -1 1 307.335 0.450 20 0 DCADMM CN(c1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@@H]1CCN(C)C1=O ZINC001591179411 1167132975 /nfs/dbraw/zinc/13/29/75/1167132975.db2.gz MZCCSYVFZVPSRD-SNVBAGLBSA-N -1 1 314.353 0.201 20 0 DCADMM CN(c1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@@H]1CCN(C)C1=O ZINC001591179411 1167132979 /nfs/dbraw/zinc/13/29/79/1167132979.db2.gz MZCCSYVFZVPSRD-SNVBAGLBSA-N -1 1 314.353 0.201 20 0 DCADMM CN1CCC[C@@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C1=O ZINC001591186070 1167139408 /nfs/dbraw/zinc/13/94/08/1167139408.db2.gz UNYNFSWHKBIPHF-SNVBAGLBSA-N -1 1 318.312 0.356 20 0 DCADMM CN1CCC[C@@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001591186070 1167139414 /nfs/dbraw/zinc/13/94/14/1167139414.db2.gz UNYNFSWHKBIPHF-SNVBAGLBSA-N -1 1 318.312 0.356 20 0 DCADMM CN1CCN(C(=O)c2ccsc2-c2nnn[n-]2)CCC1=O ZINC001591189982 1167143661 /nfs/dbraw/zinc/14/36/61/1167143661.db2.gz CROYBHDGRKTTHY-UHFFFAOYSA-N -1 1 306.351 0.233 20 0 DCADMM CN1CCN(C(=O)c2ccsc2-c2nn[n-]n2)CCC1=O ZINC001591189982 1167143666 /nfs/dbraw/zinc/14/36/66/1167143666.db2.gz CROYBHDGRKTTHY-UHFFFAOYSA-N -1 1 306.351 0.233 20 0 DCADMM CNC(=O)C(C)(C)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591198539 1167147786 /nfs/dbraw/zinc/14/77/86/1167147786.db2.gz XRQSUYMLMVDWKR-UHFFFAOYSA-N -1 1 318.341 0.155 20 0 DCADMM CNC(=O)C(C)(C)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591198539 1167147789 /nfs/dbraw/zinc/14/77/89/1167147789.db2.gz XRQSUYMLMVDWKR-UHFFFAOYSA-N -1 1 318.341 0.155 20 0 DCADMM CNC(=O)C1CCN(C(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001591203201 1167151521 /nfs/dbraw/zinc/15/15/21/1167151521.db2.gz ALMOHPFCAYKRTC-UHFFFAOYSA-N -1 1 320.378 0.526 20 0 DCADMM CNC(=O)C1CCN(C(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001591203201 1167151526 /nfs/dbraw/zinc/15/15/26/1167151526.db2.gz ALMOHPFCAYKRTC-UHFFFAOYSA-N -1 1 320.378 0.526 20 0 DCADMM CNC(=O)[C@H]1CCC[C@H]1Nc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591204122 1167152218 /nfs/dbraw/zinc/15/22/18/1167152218.db2.gz RIHOUMKGBDHTBZ-VHSXEESVSA-N -1 1 301.354 0.897 20 0 DCADMM CNC(=O)[C@H]1CCC[C@H]1Nc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591204122 1167152220 /nfs/dbraw/zinc/15/22/20/1167152220.db2.gz RIHOUMKGBDHTBZ-VHSXEESVSA-N -1 1 301.354 0.897 20 0 DCADMM COC(=O)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001591240343 1167170191 /nfs/dbraw/zinc/17/01/91/1167170191.db2.gz WZSPAQIDVQDRRD-SNVBAGLBSA-N -1 1 303.278 0.370 20 0 DCADMM COC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001591240343 1167170195 /nfs/dbraw/zinc/17/01/95/1167170195.db2.gz WZSPAQIDVQDRRD-SNVBAGLBSA-N -1 1 303.278 0.370 20 0 DCADMM COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001591250783 1167176525 /nfs/dbraw/zinc/17/65/25/1167176525.db2.gz URUAFOGYCGXXMA-KOLCDFICSA-N -1 1 323.378 0.427 20 0 DCADMM COC(=O)CC(C)(C)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591258116 1167180512 /nfs/dbraw/zinc/18/05/12/1167180512.db2.gz ZYFFRRCUXCEIOV-UHFFFAOYSA-N -1 1 318.337 0.262 20 0 DCADMM COC(=O)CC(C)(C)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591258116 1167180518 /nfs/dbraw/zinc/18/05/18/1167180518.db2.gz ZYFFRRCUXCEIOV-UHFFFAOYSA-N -1 1 318.337 0.262 20 0 DCADMM COC(=O)CN(CC(C)C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591267084 1167188056 /nfs/dbraw/zinc/18/80/56/1167188056.db2.gz KTZBSQMTKQIRFO-UHFFFAOYSA-N -1 1 307.310 0.731 20 0 DCADMM COC(=O)CN(CC(C)C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591267084 1167188060 /nfs/dbraw/zinc/18/80/60/1167188060.db2.gz KTZBSQMTKQIRFO-UHFFFAOYSA-N -1 1 307.310 0.731 20 0 DCADMM COC(=O)c1cc(CNc2n[nH]c(C)c2-c2nnn[n-]2)cn1C ZINC001591288414 1167199772 /nfs/dbraw/zinc/19/97/72/1167199772.db2.gz SFJPTBHVLBSUJB-UHFFFAOYSA-N -1 1 316.325 0.635 20 0 DCADMM COC(=O)c1cc(CNc2n[nH]c(C)c2-c2nn[n-]n2)cn1C ZINC001591288414 1167199780 /nfs/dbraw/zinc/19/97/80/1167199780.db2.gz SFJPTBHVLBSUJB-UHFFFAOYSA-N -1 1 316.325 0.635 20 0 DCADMM COC(=O)c1sc(-n2cnc(-c3nn[n-]n3)n2)nc1Cl ZINC001591309404 1167210512 /nfs/dbraw/zinc/21/05/12/1167210512.db2.gz NRHGLACPWFYARI-UHFFFAOYSA-N -1 1 312.702 0.344 20 0 DCADMM CO[C@]1(C)CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC001591340888 1167221784 /nfs/dbraw/zinc/22/17/84/1167221784.db2.gz ZXXJBUQUOFBFPB-CQSZACIVSA-N -1 1 320.353 0.733 20 0 DCADMM CO[C@]1(C)CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC001591340888 1167221788 /nfs/dbraw/zinc/22/17/88/1167221788.db2.gz ZXXJBUQUOFBFPB-CQSZACIVSA-N -1 1 320.353 0.733 20 0 DCADMM CO[C@]1(CNc2cc(-c3nnn[n-]3)nc(C)n2)CCSC1 ZINC001591343579 1167224509 /nfs/dbraw/zinc/22/45/09/1167224509.db2.gz ZXKWNHAMYXGPTP-LBPRGKRZSA-N -1 1 307.383 0.899 20 0 DCADMM CO[C@]1(CNc2cc(-c3nn[n-]n3)nc(C)n2)CCSC1 ZINC001591343579 1167224515 /nfs/dbraw/zinc/22/45/15/1167224515.db2.gz ZXKWNHAMYXGPTP-LBPRGKRZSA-N -1 1 307.383 0.899 20 0 DCADMM COC1CC(CCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001591344671 1167226522 /nfs/dbraw/zinc/22/65/22/1167226522.db2.gz FCHRVCHZKZSYCR-UHFFFAOYSA-N -1 1 320.357 0.537 20 0 DCADMM COC1CC(CCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001591344671 1167226527 /nfs/dbraw/zinc/22/65/27/1167226527.db2.gz FCHRVCHZKZSYCR-UHFFFAOYSA-N -1 1 320.357 0.537 20 0 DCADMM COC[C@](C)(CC(=O)OC)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591370752 1167241247 /nfs/dbraw/zinc/24/12/47/1167241247.db2.gz SDBKNSANESUTHY-ZDUSSCGKSA-N -1 1 323.309 0.158 20 0 DCADMM COC[C@](C)(CC(=O)OC)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591370752 1167241252 /nfs/dbraw/zinc/24/12/52/1167241252.db2.gz SDBKNSANESUTHY-ZDUSSCGKSA-N -1 1 323.309 0.158 20 0 DCADMM COCC(C)(C)CCNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591368981 1167242293 /nfs/dbraw/zinc/24/22/93/1167242293.db2.gz ZEIIWMFKCOJJAM-SECBINFHSA-N -1 1 322.373 0.198 20 0 DCADMM COC[C@]1(C)CN(Cc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001591386064 1167253963 /nfs/dbraw/zinc/25/39/63/1167253963.db2.gz WJCMINQMIWZHMU-LBPRGKRZSA-N -1 1 310.383 0.561 20 0 DCADMM COC[C@]1(C)CN(Cc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001591386064 1167253973 /nfs/dbraw/zinc/25/39/73/1167253973.db2.gz WJCMINQMIWZHMU-LBPRGKRZSA-N -1 1 310.383 0.561 20 0 DCADMM COC[C@@]1(C)CN(c2ccc(C)nc2-c2nnn[n-]2)CCO1 ZINC001591385687 1167255243 /nfs/dbraw/zinc/25/52/43/1167255243.db2.gz RZTPUMLCYGMWKK-CQSZACIVSA-N -1 1 304.354 0.812 20 0 DCADMM COC[C@@]1(C)CN(c2ccc(C)nc2-c2nn[n-]n2)CCO1 ZINC001591385687 1167255245 /nfs/dbraw/zinc/25/52/45/1167255245.db2.gz RZTPUMLCYGMWKK-CQSZACIVSA-N -1 1 304.354 0.812 20 0 DCADMM COC[C@]1(CO)CCN(c2ccc(C)nc2-c2nnn[n-]2)C1 ZINC001591390128 1167258542 /nfs/dbraw/zinc/25/85/42/1167258542.db2.gz ZNLPWHZLUOHGOB-CQSZACIVSA-N -1 1 304.354 0.405 20 0 DCADMM COC[C@]1(CO)CCN(c2ccc(C)nc2-c2nn[n-]n2)C1 ZINC001591390128 1167258547 /nfs/dbraw/zinc/25/85/47/1167258547.db2.gz ZNLPWHZLUOHGOB-CQSZACIVSA-N -1 1 304.354 0.405 20 0 DCADMM COCCC1(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CCC1 ZINC001591402217 1167268240 /nfs/dbraw/zinc/26/82/40/1167268240.db2.gz CPJTYLVJOQZGIO-SECBINFHSA-N -1 1 320.357 0.095 20 0 DCADMM COCCOCCn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001591440693 1167289750 /nfs/dbraw/zinc/28/97/50/1167289750.db2.gz RNKPOFRTYDSAIG-UHFFFAOYSA-N -1 1 315.333 0.845 20 0 DCADMM COC[C@H]1C[C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591453041 1167292414 /nfs/dbraw/zinc/29/24/14/1167292414.db2.gz IMMJXYKNHWABGO-PHIMTYICSA-N -1 1 302.338 0.345 20 0 DCADMM COC[C@H]1C[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591453041 1167292420 /nfs/dbraw/zinc/29/24/20/1167292420.db2.gz IMMJXYKNHWABGO-PHIMTYICSA-N -1 1 302.338 0.345 20 0 DCADMM COCCn1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001591451591 1167292478 /nfs/dbraw/zinc/29/24/78/1167292478.db2.gz WNPQRYSMZYNUCG-UHFFFAOYSA-N -1 1 303.282 0.555 20 0 DCADMM COCc1cc(CNc2ccnc(-c3nn[n-]n3)n2)ccc1F ZINC001591456005 1167294775 /nfs/dbraw/zinc/29/47/75/1167294775.db2.gz UITFZIIIMYIXBK-UHFFFAOYSA-N -1 1 315.312 0.976 20 0 DCADMM COc1ccc(C)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001591578019 1167333008 /nfs/dbraw/zinc/33/30/08/1167333008.db2.gz XDQJCIZUXDBXOW-UHFFFAOYSA-N -1 1 314.309 0.414 20 0 DCADMM COc1cccnc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001591654025 1167340608 /nfs/dbraw/zinc/34/06/08/1167340608.db2.gz SYYYTGPTPGYSAS-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1cccnc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001591654025 1167340611 /nfs/dbraw/zinc/34/06/11/1167340611.db2.gz SYYYTGPTPGYSAS-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM C[C@@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H]1CO ZINC001591733801 1167364027 /nfs/dbraw/zinc/36/40/27/1167364027.db2.gz OEUGLVMAYWECEN-BXKDBHETSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H]1CO ZINC001591733801 1167364031 /nfs/dbraw/zinc/36/40/31/1167364031.db2.gz OEUGLVMAYWECEN-BXKDBHETSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001591774496 1167373436 /nfs/dbraw/zinc/37/34/36/1167373436.db2.gz NXHXNQLRKQJSIP-ZETCQYMHSA-N -1 1 308.729 0.776 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1C[C@@H]1C ZINC001591776296 1167374654 /nfs/dbraw/zinc/37/46/54/1167374654.db2.gz GITGZWQGCOMTST-YIZRAAEISA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1C[C@@H]1C ZINC001591776296 1167374657 /nfs/dbraw/zinc/37/46/57/1167374657.db2.gz GITGZWQGCOMTST-YIZRAAEISA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@]1(O)C[C@H](NS(=O)(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001591777349 1167374826 /nfs/dbraw/zinc/37/48/26/1167374826.db2.gz KLXCQQSDUVASQT-XGAOUMNUSA-N -1 1 315.380 0.120 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1C ZINC001591797973 1167382729 /nfs/dbraw/zinc/38/27/29/1167382729.db2.gz WEJJWTQMJQBZSE-HLTSFMKQSA-N -1 1 303.326 0.415 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1C ZINC001591797973 1167382737 /nfs/dbraw/zinc/38/27/37/1167382737.db2.gz WEJJWTQMJQBZSE-HLTSFMKQSA-N -1 1 303.326 0.415 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cnn(CCF)c2)nn1C ZINC001591797856 1167383348 /nfs/dbraw/zinc/38/33/48/1167383348.db2.gz YBAFXVSGUNONGR-UHFFFAOYSA-N -1 1 319.304 0.327 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cnn(CCF)c2)nn1C ZINC001591797856 1167383355 /nfs/dbraw/zinc/38/33/55/1167383355.db2.gz YBAFXVSGUNONGR-UHFFFAOYSA-N -1 1 319.304 0.327 20 0 DCADMM Cc1c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)nnn1C(C)C ZINC001591811379 1167386903 /nfs/dbraw/zinc/38/69/03/1167386903.db2.gz DFCVMHXMGJTWII-UHFFFAOYSA-N -1 1 302.302 0.323 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCCC(=O)[C@H]1C ZINC001591835416 1167389853 /nfs/dbraw/zinc/38/98/53/1167389853.db2.gz WWNKRFNADKNHGJ-MRVPVSSYSA-N -1 1 316.321 0.469 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCn2nccc21 ZINC001591834690 1167391657 /nfs/dbraw/zinc/39/16/57/1167391657.db2.gz NBUPVBPAPSKONO-UHFFFAOYSA-N -1 1 312.293 0.133 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C(=O)N(C)C)C2)c1 ZINC001591885555 1167410547 /nfs/dbraw/zinc/41/05/47/1167410547.db2.gz SDVQATFPTDDOBQ-SNVBAGLBSA-N -1 1 301.354 0.485 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C(=O)N(C)C)C2)c1 ZINC001591885555 1167410548 /nfs/dbraw/zinc/41/05/48/1167410548.db2.gz SDVQATFPTDDOBQ-SNVBAGLBSA-N -1 1 301.354 0.485 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C)[C@@H]2CCO)n1 ZINC001591889294 1167410996 /nfs/dbraw/zinc/41/09/96/1167410996.db2.gz PEMFYFCVMFYYFK-CABZTGNLSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C)[C@@H]2CCO)n1 ZINC001591889294 1167411005 /nfs/dbraw/zinc/41/10/05/1167411005.db2.gz PEMFYFCVMFYYFK-CABZTGNLSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@H](C(N)=O)C2)n1 ZINC001591893066 1167412930 /nfs/dbraw/zinc/41/29/30/1167412930.db2.gz YWKLOQAOOXTCRW-IUCAKERBSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@H](C(N)=O)C2)n1 ZINC001591893066 1167412936 /nfs/dbraw/zinc/41/29/36/1167412936.db2.gz YWKLOQAOOXTCRW-IUCAKERBSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC001591895107 1167413885 /nfs/dbraw/zinc/41/38/85/1167413885.db2.gz RVWHJHTXQKVILX-VIFPVBQESA-N -1 1 314.353 0.388 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC001591895107 1167413887 /nfs/dbraw/zinc/41/38/87/1167413887.db2.gz RVWHJHTXQKVILX-VIFPVBQESA-N -1 1 314.353 0.388 20 0 DCADMM Cc1cc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)c(C)nn1 ZINC001591977904 1167427669 /nfs/dbraw/zinc/42/76/69/1167427669.db2.gz OIWGBNCWFPBYNB-UHFFFAOYSA-N -1 1 312.337 0.495 20 0 DCADMM Cc1cc(N2C[C@@H](C)S(=O)[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001591998884 1167433067 /nfs/dbraw/zinc/43/30/67/1167433067.db2.gz JXMAPXWYHREFEW-NXEZZACHSA-N -1 1 306.395 0.916 20 0 DCADMM Cc1cc(N2C[C@@H](C)S(=O)[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001591998884 1167433071 /nfs/dbraw/zinc/43/30/71/1167433071.db2.gz JXMAPXWYHREFEW-NXEZZACHSA-N -1 1 306.395 0.916 20 0 DCADMM Cc1cc(=O)[nH]c(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592015044 1167434644 /nfs/dbraw/zinc/43/46/44/1167434644.db2.gz FWMXUDLZWPZQAY-SSDOTTSWSA-N -1 1 315.297 0.067 20 0 DCADMM Cc1cc(N2CCSC[C@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001592008597 1167435037 /nfs/dbraw/zinc/43/50/37/1167435037.db2.gz KIBMIWNYRQTWIF-SECBINFHSA-N -1 1 320.378 0.824 20 0 DCADMM Cc1cc(NC[C@@H]2CCCS2(=O)=O)cc(-c2nnn[n-]2)n1 ZINC001592043515 1167444213 /nfs/dbraw/zinc/44/42/13/1167444213.db2.gz GFUYLLCFBSLRDX-JTQLQIEISA-N -1 1 308.367 0.559 20 0 DCADMM Cc1cc(NC[C@@H]2CCCS2(=O)=O)cc(-c2nn[n-]n2)n1 ZINC001592043515 1167444219 /nfs/dbraw/zinc/44/42/19/1167444219.db2.gz GFUYLLCFBSLRDX-JTQLQIEISA-N -1 1 308.367 0.559 20 0 DCADMM Cc1cc(NC[C@H]2CCCS2(=O)=O)cc(-c2nnn[n-]2)n1 ZINC001592043516 1167444854 /nfs/dbraw/zinc/44/48/54/1167444854.db2.gz GFUYLLCFBSLRDX-SNVBAGLBSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1cc(NC[C@H]2CCCS2(=O)=O)cc(-c2nn[n-]n2)n1 ZINC001592043516 1167444861 /nfs/dbraw/zinc/44/48/61/1167444861.db2.gz GFUYLLCFBSLRDX-SNVBAGLBSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc(N[C@H]2CC[C@H](C)S(=O)(=O)C2)nc1-c1nnn[n-]1 ZINC001592183895 1167472307 /nfs/dbraw/zinc/47/23/07/1167472307.db2.gz LSLPDZBVGBPGRP-UWVGGRQHSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1ccc(N[C@H]2CC[C@H](C)S(=O)(=O)C2)nc1-c1nn[n-]n1 ZINC001592183895 1167472313 /nfs/dbraw/zinc/47/23/13/1167472313.db2.gz LSLPDZBVGBPGRP-UWVGGRQHSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1ccc(OCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1C ZINC001592188657 1167472362 /nfs/dbraw/zinc/47/23/62/1167472362.db2.gz ZCRNSLLZSKCHIV-UHFFFAOYSA-N -1 1 313.321 0.981 20 0 DCADMM Cc1cccc(C(=O)NCCNc2ncncc2-c2nn[n-]n2)c1 ZINC001592220843 1167475465 /nfs/dbraw/zinc/47/54/65/1167475465.db2.gz RCRYQLCDAGWCNO-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1ccc2c(c1)N(C(=O)[C@@H](C)n1cnc(-c3nn[n-]n3)n1)CC2 ZINC001592205114 1167475768 /nfs/dbraw/zinc/47/57/68/1167475768.db2.gz JQWSBBAPVJOMOD-SNVBAGLBSA-N -1 1 324.348 0.917 20 0 DCADMM Cc1cccc2c1O[C@@H](C(=O)n1ncc(-c3nn[n-]n3)c1N)C2 ZINC001592244781 1167478941 /nfs/dbraw/zinc/47/89/41/1167478941.db2.gz KBCBUAJJOKZMSO-SNVBAGLBSA-N -1 1 311.305 0.598 20 0 DCADMM Cc1ccn(CC(=O)N[C@@H](C)C(C)C)c(=O)c1-c1nn[n-]n1 ZINC001592265337 1167480019 /nfs/dbraw/zinc/48/00/19/1167480019.db2.gz QRAHVBPZLXNLLM-JTQLQIEISA-N -1 1 304.354 0.498 20 0 DCADMM Cc1ccn(Cc2cccc(C(N)=O)c2)c(=O)c1-c1nn[n-]n1 ZINC001592265922 1167480762 /nfs/dbraw/zinc/48/07/62/1167480762.db2.gz PSYJPOKFNLGZKZ-UHFFFAOYSA-N -1 1 310.317 0.484 20 0 DCADMM Cc1ccncc1COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592279324 1167485389 /nfs/dbraw/zinc/48/53/89/1167485389.db2.gz PZUXWDINFQFCHF-SECBINFHSA-N -1 1 314.309 0.466 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001592328089 1167488662 /nfs/dbraw/zinc/48/86/62/1167488662.db2.gz PSJYRFBOMMVRAT-RCOVLWMOSA-N -1 1 303.326 0.842 20 0 DCADMM Cc1[nH]nc(Cl)c1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001592328142 1167488895 /nfs/dbraw/zinc/48/88/95/1167488895.db2.gz QNRWEVUAPQWYJY-UHFFFAOYSA-N -1 1 307.705 0.835 20 0 DCADMM Cc1[nH]nc(NC(=O)CCCNC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001592327331 1167489694 /nfs/dbraw/zinc/48/96/94/1167489694.db2.gz DEWYMEMGYBPFBR-UHFFFAOYSA-N -1 1 318.341 0.143 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC001592330075 1167491092 /nfs/dbraw/zinc/49/10/92/1167491092.db2.gz JXTVVTBJJYMMJF-OYNCUSHFSA-N -1 1 303.326 0.652 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)[C@H](C)C(=O)OC(C)C)n1 ZINC001592339184 1167493094 /nfs/dbraw/zinc/49/30/94/1167493094.db2.gz YDQUMIGGMCVSCS-MRVPVSSYSA-N -1 1 305.342 0.741 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)[C@H](C)C(=O)OC(C)C)n1 ZINC001592339184 1167493098 /nfs/dbraw/zinc/49/30/98/1167493098.db2.gz YDQUMIGGMCVSCS-MRVPVSSYSA-N -1 1 305.342 0.741 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC3(C2)CCOCC3)n1 ZINC001592337753 1167494060 /nfs/dbraw/zinc/49/40/60/1167494060.db2.gz NVVOZQWTOWZOLY-UHFFFAOYSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC3(C2)CCOCC3)n1 ZINC001592337753 1167494063 /nfs/dbraw/zinc/49/40/63/1167494063.db2.gz NVVOZQWTOWZOLY-UHFFFAOYSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1nc(N[C@H](CO)C2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001592379714 1167510535 /nfs/dbraw/zinc/51/05/35/1167510535.db2.gz LJCGDFXLVYGZIM-LLVKDONJSA-N -1 1 305.342 0.165 20 0 DCADMM Cc1nc(N[C@H](CO)C2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001592379714 1167510540 /nfs/dbraw/zinc/51/05/40/1167510540.db2.gz LJCGDFXLVYGZIM-LLVKDONJSA-N -1 1 305.342 0.165 20 0 DCADMM Cc1nc(NC[C@@H](CO)Cc2ccco2)cc(-c2nnn[n-]2)n1 ZINC001592384835 1167510920 /nfs/dbraw/zinc/51/09/20/1167510920.db2.gz SXUQGKZJSZSXFQ-JTQLQIEISA-N -1 1 315.337 0.821 20 0 DCADMM Cc1nc(NC[C@@H](CO)Cc2ccco2)cc(-c2nn[n-]n2)n1 ZINC001592384835 1167510925 /nfs/dbraw/zinc/51/09/25/1167510925.db2.gz SXUQGKZJSZSXFQ-JTQLQIEISA-N -1 1 315.337 0.821 20 0 DCADMM Cc1ncc2c(n1)CC[C@H](Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001592412101 1167514926 /nfs/dbraw/zinc/51/49/26/1167514926.db2.gz DWMDJZVRTIYCIZ-JTQLQIEISA-N -1 1 309.337 0.725 20 0 DCADMM Cc1ncc2c(n1)CC[C@H](Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001592412101 1167514929 /nfs/dbraw/zinc/51/49/29/1167514929.db2.gz DWMDJZVRTIYCIZ-JTQLQIEISA-N -1 1 309.337 0.725 20 0 DCADMM Cc1nn(Cc2cc(C3CC3)no2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437365 1167523148 /nfs/dbraw/zinc/52/31/48/1167523148.db2.gz DHUTYFQSJXRKBE-UHFFFAOYSA-N -1 1 313.321 0.954 20 0 DCADMM Cc1nnc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)s1 ZINC001592443390 1167524264 /nfs/dbraw/zinc/52/42/64/1167524264.db2.gz CNOKXSWNDJDISY-UHFFFAOYSA-N -1 1 315.362 0.725 20 0 DCADMM Cc1noc([C@H](C)OC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592456867 1167528866 /nfs/dbraw/zinc/52/88/66/1167528866.db2.gz MMMQQBBTVOYTKV-LURJTMIESA-N -1 1 301.266 0.871 20 0 DCADMM Cc1noc([C@H](C)OC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592456867 1167528869 /nfs/dbraw/zinc/52/88/69/1167528869.db2.gz MMMQQBBTVOYTKV-LURJTMIESA-N -1 1 301.266 0.871 20 0 DCADMM Cc1noc([C@H](C)N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592455310 1167528977 /nfs/dbraw/zinc/52/89/77/1167528977.db2.gz HVEINKSBSMWCEN-ZETCQYMHSA-N -1 1 314.309 0.786 20 0 DCADMM Cc1noc([C@H](C)N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592455310 1167528983 /nfs/dbraw/zinc/52/89/83/1167528983.db2.gz HVEINKSBSMWCEN-ZETCQYMHSA-N -1 1 314.309 0.786 20 0 DCADMM Cc1nsc(N2CC[C@H]3NC(=O)CC[C@H]3C2)c1-c1nn[n-]n1 ZINC001592474431 1167534225 /nfs/dbraw/zinc/53/42/25/1167534225.db2.gz JZDONYSVACBNPI-DTWKUNHWSA-N -1 1 319.394 0.737 20 0 DCADMM Cc1nsc(N2CC[S@](=O)C[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592476517 1167534348 /nfs/dbraw/zinc/53/43/48/1167534348.db2.gz QUUXUUQEKUAMOC-GLEHDBDLSA-N -1 1 312.424 0.836 20 0 DCADMM Cc1nsc(NC(=O)NCCC2CC(O)C2)c1-c1nnn[n-]1 ZINC001592481143 1167534521 /nfs/dbraw/zinc/53/45/21/1167534521.db2.gz GQOUUOKNRLNKHS-UHFFFAOYSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)NCCC2CC(O)C2)c1-c1nn[n-]n1 ZINC001592481143 1167534527 /nfs/dbraw/zinc/53/45/27/1167534527.db2.gz GQOUUOKNRLNKHS-UHFFFAOYSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1cnn(C)c1 ZINC001592494565 1167538017 /nfs/dbraw/zinc/53/80/17/1167538017.db2.gz AEJFARBUGJFMNN-UHFFFAOYSA-N -1 1 301.310 0.774 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1cnn(C)c1 ZINC001592494565 1167538021 /nfs/dbraw/zinc/53/80/21/1167538021.db2.gz AEJFARBUGJFMNN-UHFFFAOYSA-N -1 1 301.310 0.774 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)C(=O)NC(C)C ZINC001592502545 1167542596 /nfs/dbraw/zinc/54/25/96/1167542596.db2.gz UUNWLMRHDQJHTJ-MRVPVSSYSA-N -1 1 307.310 0.838 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)C(=O)NC(C)C ZINC001592502545 1167542602 /nfs/dbraw/zinc/54/26/02/1167542602.db2.gz UUNWLMRHDQJHTJ-MRVPVSSYSA-N -1 1 307.310 0.838 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1(C(N)=O)CCCC1 ZINC001592502609 1167542626 /nfs/dbraw/zinc/54/26/26/1167542626.db2.gz NWAVINSHTPFVLF-UHFFFAOYSA-N -1 1 318.337 0.544 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1(C(N)=O)CCCC1 ZINC001592502609 1167542632 /nfs/dbraw/zinc/54/26/32/1167542632.db2.gz NWAVINSHTPFVLF-UHFFFAOYSA-N -1 1 318.337 0.544 20 0 DCADMM Cc1onc(CC(=O)N(C)Cc2ncc[nH]2)c1-c1nnn[n-]1 ZINC001592515205 1167543140 /nfs/dbraw/zinc/54/31/40/1167543140.db2.gz OSDMTHZHXLYMEF-UHFFFAOYSA-N -1 1 302.298 0.087 20 0 DCADMM Cc1onc(CC(=O)N(C)Cc2ncc[nH]2)c1-c1nn[n-]n1 ZINC001592515205 1167543148 /nfs/dbraw/zinc/54/31/48/1167543148.db2.gz OSDMTHZHXLYMEF-UHFFFAOYSA-N -1 1 302.298 0.087 20 0 DCADMM Cc1oc(NC(=O)[C@H](C)N2CCOCC2)c(-c2nn[n-]n2)c1C ZINC001592509640 1167543355 /nfs/dbraw/zinc/54/33/55/1167543355.db2.gz UOWAOJHVWFELKU-VIFPVBQESA-N -1 1 320.353 0.736 20 0 DCADMM Cc1onc(CC(=O)N(C)[C@@H](C)C(C)(C)O)c1-c1nnn[n-]1 ZINC001592515146 1167545159 /nfs/dbraw/zinc/54/51/59/1167545159.db2.gz KBVUWZJTQBCWEE-QMMMGPOBSA-N -1 1 308.342 0.323 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CC[C@H](C)O2)c1-c1nnn[n-]1 ZINC001592516956 1167545979 /nfs/dbraw/zinc/54/59/79/1167545979.db2.gz CMZWEVDUKZSCJU-CBAPKCEASA-N -1 1 306.326 0.389 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2CC[C@H](C)O2)c1-c1nn[n-]n1 ZINC001592516956 1167545987 /nfs/dbraw/zinc/54/59/87/1167545987.db2.gz CMZWEVDUKZSCJU-CBAPKCEASA-N -1 1 306.326 0.389 20 0 DCADMM Clc1cnn([C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)c1 ZINC001592538649 1167550610 /nfs/dbraw/zinc/55/06/10/1167550610.db2.gz MTGRDRICXIOUDQ-SECBINFHSA-N -1 1 317.744 0.958 20 0 DCADMM Clc1cnn([C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)c1 ZINC001592538649 1167550618 /nfs/dbraw/zinc/55/06/18/1167550618.db2.gz MTGRDRICXIOUDQ-SECBINFHSA-N -1 1 317.744 0.958 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)COCc2cccnc2)n1 ZINC001592559006 1167559236 /nfs/dbraw/zinc/55/92/36/1167559236.db2.gz SIXLMGKUSDVKQN-UHFFFAOYSA-N -1 1 314.309 0.151 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)COCc2cccnc2)n1 ZINC001592559006 1167559242 /nfs/dbraw/zinc/55/92/42/1167559242.db2.gz SIXLMGKUSDVKQN-UHFFFAOYSA-N -1 1 314.309 0.151 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@]2(C)CC2(F)F)n1 ZINC001592559905 1167560086 /nfs/dbraw/zinc/56/00/86/1167560086.db2.gz ONDZNYAFMXZCGX-JTQLQIEISA-N -1 1 312.284 0.767 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@]2(C)CC2(F)F)n1 ZINC001592559905 1167560090 /nfs/dbraw/zinc/56/00/90/1167560090.db2.gz ONDZNYAFMXZCGX-JTQLQIEISA-N -1 1 312.284 0.767 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCC(F)F)n1 ZINC001592559882 1167560211 /nfs/dbraw/zinc/56/02/11/1167560211.db2.gz NKDDEIFIKPZGBS-UHFFFAOYSA-N -1 1 300.273 0.767 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCC(F)F)n1 ZINC001592559882 1167560217 /nfs/dbraw/zinc/56/02/17/1167560217.db2.gz NKDDEIFIKPZGBS-UHFFFAOYSA-N -1 1 300.273 0.767 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2COCC2(C)C)n1 ZINC001592559844 1167560819 /nfs/dbraw/zinc/56/08/19/1167560819.db2.gz MBIPQDCUCCGOMY-MRVPVSSYSA-N -1 1 306.330 0.147 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2COCC2(C)C)n1 ZINC001592559844 1167560827 /nfs/dbraw/zinc/56/08/27/1167560827.db2.gz MBIPQDCUCCGOMY-MRVPVSSYSA-N -1 1 306.330 0.147 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@]2(C)CC2(F)F)n1 ZINC001592559925 1167561214 /nfs/dbraw/zinc/56/12/14/1167561214.db2.gz ONDZNYAFMXZCGX-SNVBAGLBSA-N -1 1 312.284 0.767 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@]2(C)CC2(F)F)n1 ZINC001592559925 1167561217 /nfs/dbraw/zinc/56/12/17/1167561217.db2.gz ONDZNYAFMXZCGX-SNVBAGLBSA-N -1 1 312.284 0.767 20 0 DCADMM Cn1cc(CCCNC(=O)c2cccc(-c3nnn[n-]3)n2)cn1 ZINC001592569108 1167566862 /nfs/dbraw/zinc/56/68/62/1167566862.db2.gz HCULEERRYYBXQK-UHFFFAOYSA-N -1 1 312.337 0.358 20 0 DCADMM Cn1cc(CCCNC(=O)c2cccc(-c3nn[n-]n3)n2)cn1 ZINC001592569108 1167566866 /nfs/dbraw/zinc/56/68/66/1167566866.db2.gz HCULEERRYYBXQK-UHFFFAOYSA-N -1 1 312.337 0.358 20 0 DCADMM Cn1[nH]c([C@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)nc1=N ZINC001592596366 1167577459 /nfs/dbraw/zinc/57/74/59/1167577459.db2.gz RTMSXVNAWUZGBP-SNVBAGLBSA-N -1 1 312.341 0.144 20 0 DCADMM Cn1[nH]c([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)nc1=N ZINC001592596366 1167577464 /nfs/dbraw/zinc/57/74/64/1167577464.db2.gz RTMSXVNAWUZGBP-SNVBAGLBSA-N -1 1 312.341 0.144 20 0 DCADMM Cn1nccc1[C@@H]1COCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001592605206 1167582699 /nfs/dbraw/zinc/58/26/99/1167582699.db2.gz FCJDOSFEHONDKO-ZDUSSCGKSA-N -1 1 312.337 0.573 20 0 DCADMM Cn1nccc1[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001592605206 1167582702 /nfs/dbraw/zinc/58/27/02/1167582702.db2.gz FCJDOSFEHONDKO-ZDUSSCGKSA-N -1 1 312.337 0.573 20 0 DCADMM Cn1nnnc1Sc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592612299 1167584276 /nfs/dbraw/zinc/58/42/76/1167584276.db2.gz DYVBEKGSUONNEO-UHFFFAOYSA-N -1 1 302.327 0.209 20 0 DCADMM Cn1nnnc1Sc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592612299 1167584283 /nfs/dbraw/zinc/58/42/83/1167584283.db2.gz DYVBEKGSUONNEO-UHFFFAOYSA-N -1 1 302.327 0.209 20 0 DCADMM NC(=O)C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001592725851 1167617024 /nfs/dbraw/zinc/61/70/24/1167617024.db2.gz MCYOSRAAYQDOPY-ZETCQYMHSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001592725851 1167617029 /nfs/dbraw/zinc/61/70/29/1167617029.db2.gz MCYOSRAAYQDOPY-ZETCQYMHSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)CN(C(=O)c1ccc(-c2nnn[n-]2)o1)C1CCCC1 ZINC001592728265 1167619373 /nfs/dbraw/zinc/61/93/73/1167619373.db2.gz LQSMWYHWIXBQQK-UHFFFAOYSA-N -1 1 304.310 0.330 20 0 DCADMM NC(=O)CN(C(=O)c1ccc(-c2nn[n-]n2)o1)C1CCCC1 ZINC001592728265 1167619379 /nfs/dbraw/zinc/61/93/79/1167619379.db2.gz LQSMWYHWIXBQQK-UHFFFAOYSA-N -1 1 304.310 0.330 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)COc1cc(F)cc(F)c1 ZINC001592752875 1167632344 /nfs/dbraw/zinc/63/23/44/1167632344.db2.gz DPZGOVXAFFWNFE-UHFFFAOYSA-N -1 1 321.247 0.643 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC001592753957 1167633536 /nfs/dbraw/zinc/63/35/36/1167633536.db2.gz IXKMXLTWOHOBKI-MRVPVSSYSA-N -1 1 303.326 0.635 20 0 DCADMM O=C(C1CC1)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592774554 1167641523 /nfs/dbraw/zinc/64/15/23/1167641523.db2.gz LLKQDMARUMRUGS-UHFFFAOYSA-N -1 1 304.379 0.987 20 0 DCADMM O=C(C=Cc1ccc[nH]1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592794372 1167643031 /nfs/dbraw/zinc/64/30/31/1167643031.db2.gz PGDSRJKDFFSXNK-ONEGZZNKSA-N -1 1 301.335 0.981 20 0 DCADMM O=C(C=Cc1ccc[nH]1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592794372 1167643036 /nfs/dbraw/zinc/64/30/36/1167643036.db2.gz PGDSRJKDFFSXNK-ONEGZZNKSA-N -1 1 301.335 0.981 20 0 DCADMM O=C(C[C@@H]1COC(=O)C1)OCc1cccnc1-c1nnn[n-]1 ZINC001592826446 1167647893 /nfs/dbraw/zinc/64/78/93/1167647893.db2.gz FEOIZUNNDFLJDH-MRVPVSSYSA-N -1 1 303.278 0.258 20 0 DCADMM O=C(C[C@@H]1COC(=O)C1)OCc1cccnc1-c1nn[n-]n1 ZINC001592826446 1167647895 /nfs/dbraw/zinc/64/78/95/1167647895.db2.gz FEOIZUNNDFLJDH-MRVPVSSYSA-N -1 1 303.278 0.258 20 0 DCADMM O=C(COc1cccc(-c2nn[nH]n2)c1)Nc1c[n-][nH]c1=O ZINC001592893950 1167660126 /nfs/dbraw/zinc/66/01/26/1167660126.db2.gz NIAGYERNZGGDSR-UHFFFAOYSA-N -1 1 301.266 0.313 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCC[C@@H]1CCOC1 ZINC001592913760 1167663186 /nfs/dbraw/zinc/66/31/86/1167663186.db2.gz GFJCGXSASZNKQE-LLVKDONJSA-N -1 1 316.365 0.737 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCC[C@@H]1CCOC1 ZINC001592913760 1167663189 /nfs/dbraw/zinc/66/31/89/1167663189.db2.gz GFJCGXSASZNKQE-LLVKDONJSA-N -1 1 316.365 0.737 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1Cc2cccnc2C1 ZINC001592915323 1167665064 /nfs/dbraw/zinc/66/50/64/1167665064.db2.gz NPWGHAHVUQPCOI-UHFFFAOYSA-N -1 1 307.317 0.742 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1Cc2cccnc2C1 ZINC001592915323 1167665069 /nfs/dbraw/zinc/66/50/69/1167665069.db2.gz NPWGHAHVUQPCOI-UHFFFAOYSA-N -1 1 307.317 0.742 20 0 DCADMM O=C(Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1)NC1CC1 ZINC001592942921 1167669601 /nfs/dbraw/zinc/66/96/01/1167669601.db2.gz JPOAACMCYZTOLC-UHFFFAOYSA-N -1 1 310.321 0.404 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@H](C2CCC2)C1 ZINC001592940594 1167670480 /nfs/dbraw/zinc/67/04/80/1167670480.db2.gz PFZBZNXQZLBBKV-JTQLQIEISA-N -1 1 302.342 0.107 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)c1ccc(C(F)(F)F)cn1 ZINC001592941918 1167670541 /nfs/dbraw/zinc/67/05/41/1167670541.db2.gz ZBFCUVJKNAEWDG-UHFFFAOYSA-N -1 1 324.226 0.755 20 0 DCADMM O=C(N[C@@H](CO)[C@@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001592953775 1167671113 /nfs/dbraw/zinc/67/11/13/1167671113.db2.gz NVBZKSVNIQXQCN-APPZFPTMSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@@H](CO)[C@@H]1CCOC1)c1ccsc1-c1nn[n-]n1 ZINC001592953775 1167671128 /nfs/dbraw/zinc/67/11/28/1167671128.db2.gz NVBZKSVNIQXQCN-APPZFPTMSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(NC[C@H](CO)[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593006788 1167686795 /nfs/dbraw/zinc/68/67/95/1167686795.db2.gz SOGUJEOQGLCUAM-RKDXNWHRSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@H](CO)[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593006788 1167686797 /nfs/dbraw/zinc/68/67/97/1167686797.db2.gz SOGUJEOQGLCUAM-RKDXNWHRSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@@H]1COCO1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593047043 1167692397 /nfs/dbraw/zinc/69/23/97/1167692397.db2.gz UEFHZOLKJZVEFC-SSDOTTSWSA-N -1 1 311.248 0.248 20 0 DCADMM O=C(NC[C@@H]1COCO1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593047043 1167692404 /nfs/dbraw/zinc/69/24/04/1167692404.db2.gz UEFHZOLKJZVEFC-SSDOTTSWSA-N -1 1 311.248 0.248 20 0 DCADMM O=C(NCCC1(O)CCC1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001593059249 1167694511 /nfs/dbraw/zinc/69/45/11/1167694511.db2.gz XNGFVPMENACVRC-UHFFFAOYSA-N -1 1 323.382 0.428 20 0 DCADMM O=C(NCCC1(O)CCC1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001593059249 1167694514 /nfs/dbraw/zinc/69/45/14/1167694514.db2.gz XNGFVPMENACVRC-UHFFFAOYSA-N -1 1 323.382 0.428 20 0 DCADMM O=C(NCC=CCNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001593056306 1167695560 /nfs/dbraw/zinc/69/55/60/1167695560.db2.gz MOOJFABLOWLXCU-OWOJBTEDSA-N -1 1 300.326 0.151 20 0 DCADMM O=C(NCC=CCNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001593056306 1167695563 /nfs/dbraw/zinc/69/55/63/1167695563.db2.gz MOOJFABLOWLXCU-OWOJBTEDSA-N -1 1 300.326 0.151 20 0 DCADMM O=C(NCCC[C@H]1CCOC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593066856 1167697783 /nfs/dbraw/zinc/69/77/83/1167697783.db2.gz PAXHPGRZHDRNSY-JTQLQIEISA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCC[C@H]1CCOC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593066856 1167697788 /nfs/dbraw/zinc/69/77/88/1167697788.db2.gz PAXHPGRZHDRNSY-JTQLQIEISA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCCNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001593075803 1167697989 /nfs/dbraw/zinc/69/79/89/1167697989.db2.gz QJIGIWANDSEJNJ-UHFFFAOYSA-N -1 1 324.348 0.889 20 0 DCADMM O=C(NCCCNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001593075803 1167697995 /nfs/dbraw/zinc/69/79/95/1167697995.db2.gz QJIGIWANDSEJNJ-UHFFFAOYSA-N -1 1 324.348 0.889 20 0 DCADMM O=C(NCCCOC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001593077008 1167700556 /nfs/dbraw/zinc/70/05/56/1167700556.db2.gz MJEAVENONYSFNN-JTQLQIEISA-N -1 1 321.337 0.775 20 0 DCADMM O=C(NCCCOC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001593077008 1167700562 /nfs/dbraw/zinc/70/05/62/1167700562.db2.gz MJEAVENONYSFNN-JTQLQIEISA-N -1 1 321.337 0.775 20 0 DCADMM O=C(N[C@]12CCC[C@H]1OCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593195871 1167734592 /nfs/dbraw/zinc/73/45/92/1167734592.db2.gz FVGRBMKUQFRUCH-RISCZKNCSA-N -1 1 300.322 0.703 20 0 DCADMM O=C(N[C@]12CCC[C@H]1OCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593195871 1167734598 /nfs/dbraw/zinc/73/45/98/1167734598.db2.gz FVGRBMKUQFRUCH-RISCZKNCSA-N -1 1 300.322 0.703 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(-c2nnn[n-]2)o1 ZINC001593193772 1167736560 /nfs/dbraw/zinc/73/65/60/1167736560.db2.gz YCLIAVPSRVYJJI-GWCFXTLKSA-N -1 1 311.301 0.848 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(-c2nn[n-]n2)o1 ZINC001593193772 1167736567 /nfs/dbraw/zinc/73/65/67/1167736567.db2.gz YCLIAVPSRVYJJI-GWCFXTLKSA-N -1 1 311.301 0.848 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1C2CCC1(CO)CC2 ZINC001593242929 1167742893 /nfs/dbraw/zinc/74/28/93/1167742893.db2.gz DZSZBYASNLEBBD-UHFFFAOYSA-N -1 1 315.337 0.783 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1C2CCC1(CO)CC2 ZINC001593242929 1167742901 /nfs/dbraw/zinc/74/29/01/1167742901.db2.gz DZSZBYASNLEBBD-UHFFFAOYSA-N -1 1 315.337 0.783 20 0 DCADMM O=C(Nc1cccc2c1C(=O)NC2)c1cccc(-c2nnn[n-]2)n1 ZINC001593249865 1167744373 /nfs/dbraw/zinc/74/43/73/1167744373.db2.gz QNXUJRISWIHESG-UHFFFAOYSA-N -1 1 321.300 0.757 20 0 DCADMM O=C(Nc1cccc2c1C(=O)NC2)c1cccc(-c2nn[n-]n2)n1 ZINC001593249865 1167744380 /nfs/dbraw/zinc/74/43/80/1167744380.db2.gz QNXUJRISWIHESG-UHFFFAOYSA-N -1 1 321.300 0.757 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(NC2CC2)nc1 ZINC001593259981 1167747333 /nfs/dbraw/zinc/74/73/33/1167747333.db2.gz GIHJZVZKDVYERR-UHFFFAOYSA-N -1 1 311.309 0.811 20 0 DCADMM O=C(O[C@@H]1CCN(CCF)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593280399 1167756271 /nfs/dbraw/zinc/75/62/71/1167756271.db2.gz KZUGHCXGIJHGCW-SNVBAGLBSA-N -1 1 306.301 0.462 20 0 DCADMM O=C(O[C@@H]1CCN(CCF)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593280399 1167756279 /nfs/dbraw/zinc/75/62/79/1167756279.db2.gz KZUGHCXGIJHGCW-SNVBAGLBSA-N -1 1 306.301 0.462 20 0 DCADMM O=C(OCCN1CCCC1=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001593290389 1167760725 /nfs/dbraw/zinc/76/07/25/1167760725.db2.gz OUTZMJBOJMATAJ-UHFFFAOYSA-N -1 1 302.294 0.041 20 0 DCADMM O=C(OCCN1CCCC1=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001593290389 1167760735 /nfs/dbraw/zinc/76/07/35/1167760735.db2.gz OUTZMJBOJMATAJ-UHFFFAOYSA-N -1 1 302.294 0.041 20 0 DCADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1cc2n(n1)CCC2 ZINC001593306666 1167766383 /nfs/dbraw/zinc/76/63/83/1167766383.db2.gz CUJDWILWELXHQN-UHFFFAOYSA-N -1 1 317.334 0.823 20 0 DCADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)c1cc2n(n1)CCC2 ZINC001593306666 1167766387 /nfs/dbraw/zinc/76/63/87/1167766387.db2.gz CUJDWILWELXHQN-UHFFFAOYSA-N -1 1 317.334 0.823 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCC[C@H]1CO ZINC001593327674 1167772441 /nfs/dbraw/zinc/77/24/41/1167772441.db2.gz DIPFNPHWPNJEEA-QMMMGPOBSA-N -1 1 309.276 0.742 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCC[C@H]1CO ZINC001593327674 1167772452 /nfs/dbraw/zinc/77/24/52/1167772452.db2.gz DIPFNPHWPNJEEA-QMMMGPOBSA-N -1 1 309.276 0.742 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](CCO)CC1 ZINC001593336902 1167779010 /nfs/dbraw/zinc/77/90/10/1167779010.db2.gz ILTPYRJOQZTSFM-LLVKDONJSA-N -1 1 316.365 0.886 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](CCO)CC1 ZINC001593336902 1167779020 /nfs/dbraw/zinc/77/90/20/1167779020.db2.gz ILTPYRJOQZTSFM-LLVKDONJSA-N -1 1 316.365 0.886 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](C2CCC2)C1 ZINC001593340432 1167783012 /nfs/dbraw/zinc/78/30/12/1167783012.db2.gz LNPWWPYJAVITEQ-CYBMUJFWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](C2CCC2)C1 ZINC001593340432 1167783022 /nfs/dbraw/zinc/78/30/22/1167783022.db2.gz LNPWWPYJAVITEQ-CYBMUJFWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C1[C@@H](NCc2nc(-c3nnn[n-]3)cs2)CCN1C1CCC1 ZINC001593379138 1167793501 /nfs/dbraw/zinc/79/35/01/1167793501.db2.gz OSLBBFOFJOFHMS-VIFPVBQESA-N -1 1 319.394 0.566 20 0 DCADMM O=C1[C@@H](NCc2nc(-c3nn[n-]n3)cs2)CCN1C1CCC1 ZINC001593379138 1167793513 /nfs/dbraw/zinc/79/35/13/1167793513.db2.gz OSLBBFOFJOFHMS-VIFPVBQESA-N -1 1 319.394 0.566 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCC(=O)NC1 ZINC001593388232 1167799865 /nfs/dbraw/zinc/79/98/65/1167799865.db2.gz OIKVUPPMZBAUNN-ZETCQYMHSA-N -1 1 306.351 0.071 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC(=O)N2CCC[C@@H]21 ZINC001593395184 1167807518 /nfs/dbraw/zinc/80/75/18/1167807518.db2.gz TXGJHPODSQWKLL-JTQLQIEISA-N -1 1 302.294 0.254 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC(=O)N2CCC[C@@H]21 ZINC001593395184 1167807530 /nfs/dbraw/zinc/80/75/30/1167807530.db2.gz TXGJHPODSQWKLL-JTQLQIEISA-N -1 1 302.294 0.254 20 0 DCADMM O=C(OC[C@H]1CCCC(=O)N1)c1cccc(-c2nnn[n-]2)n1 ZINC001593395381 1167811823 /nfs/dbraw/zinc/81/18/23/1167811823.db2.gz HAQNNMSAXQKSPF-MRVPVSSYSA-N -1 1 302.294 0.087 20 0 DCADMM O=C(OC[C@H]1CCCC(=O)N1)c1cccc(-c2nn[n-]n2)n1 ZINC001593395381 1167811837 /nfs/dbraw/zinc/81/18/37/1167811837.db2.gz HAQNNMSAXQKSPF-MRVPVSSYSA-N -1 1 302.294 0.087 20 0 DCADMM O=C1O[C@H](CNc2cccnc2-c2nnn[n-]2)CN1C1CC1 ZINC001593410498 1167819138 /nfs/dbraw/zinc/81/91/38/1167819138.db2.gz CCXUDTWRAXOAPM-SECBINFHSA-N -1 1 301.310 0.657 20 0 DCADMM O=C1O[C@H](CNc2cccnc2-c2nn[n-]n2)CN1C1CC1 ZINC001593410498 1167819146 /nfs/dbraw/zinc/81/91/46/1167819146.db2.gz CCXUDTWRAXOAPM-SECBINFHSA-N -1 1 301.310 0.657 20 0 DCADMM O=C1O[C@@H](CNc2cccnc2-c2nnn[n-]2)CN1C1CC1 ZINC001593410500 1167821496 /nfs/dbraw/zinc/82/14/96/1167821496.db2.gz CCXUDTWRAXOAPM-VIFPVBQESA-N -1 1 301.310 0.657 20 0 DCADMM O=C1O[C@@H](CNc2cccnc2-c2nn[n-]n2)CN1C1CC1 ZINC001593410500 1167821511 /nfs/dbraw/zinc/82/15/11/1167821511.db2.gz CCXUDTWRAXOAPM-VIFPVBQESA-N -1 1 301.310 0.657 20 0 DCADMM O=C1N[C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)CC[C@H]2CO1 ZINC001593410410 1167823588 /nfs/dbraw/zinc/82/35/88/1167823588.db2.gz KMDZLWHGNGIFKG-WCBMZHEXSA-N -1 1 301.310 0.196 20 0 DCADMM O=C1N[C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)CC[C@H]2CO1 ZINC001593410410 1167823614 /nfs/dbraw/zinc/82/36/14/1167823614.db2.gz KMDZLWHGNGIFKG-WCBMZHEXSA-N -1 1 301.310 0.196 20 0 DCADMM O=S(=O)(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC001593435684 1167838460 /nfs/dbraw/zinc/83/84/60/1167838460.db2.gz QCDQVDCCPGQEHZ-DOFRTFSJSA-N -1 1 306.351 0.339 20 0 DCADMM O=S(=O)(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC001593435684 1167838463 /nfs/dbraw/zinc/83/84/63/1167838463.db2.gz QCDQVDCCPGQEHZ-DOFRTFSJSA-N -1 1 306.351 0.339 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1CCC(O)CC1 ZINC001593454996 1167846278 /nfs/dbraw/zinc/84/62/78/1167846278.db2.gz QGRBDDGWHJQBPR-UHFFFAOYSA-N -1 1 315.380 0.074 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1CCC(O)CC1 ZINC001593454996 1167846287 /nfs/dbraw/zinc/84/62/87/1167846287.db2.gz QGRBDDGWHJQBPR-UHFFFAOYSA-N -1 1 315.380 0.074 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1C2CCC1CC2 ZINC001593456711 1167849183 /nfs/dbraw/zinc/84/91/83/1167849183.db2.gz CZAQEMVNYSHNPP-UHFFFAOYSA-N -1 1 306.351 0.577 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CCCC2(CC2)C1 ZINC001593457813 1167849704 /nfs/dbraw/zinc/84/97/04/1167849704.db2.gz RACGDPZAZMNIPO-UHFFFAOYSA-N -1 1 320.378 0.826 20 0 DCADMM O=S1(=O)CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001593464770 1167854558 /nfs/dbraw/zinc/85/45/58/1167854558.db2.gz ZZPHWDLEEMKQFJ-BYPYZUCNSA-N -1 1 320.787 0.576 20 0 DCADMM O=S1(=O)CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001593464770 1167854570 /nfs/dbraw/zinc/85/45/70/1167854570.db2.gz ZZPHWDLEEMKQFJ-BYPYZUCNSA-N -1 1 320.787 0.576 20 0 DCADMM O=c1cc[nH]c2cc(CNc3ccnc(-c4nn[n-]n4)n3)ccc12 ZINC001593496505 1167878470 /nfs/dbraw/zinc/87/84/70/1167878470.db2.gz MOANKNQNRGNDQN-UHFFFAOYSA-N -1 1 320.316 0.532 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1nncn1-c1ccccc1 ZINC001593495706 1167878809 /nfs/dbraw/zinc/87/88/09/1167878809.db2.gz RJIOIJDKPUDCMN-UHFFFAOYSA-N -1 1 321.304 0.052 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cnc(Cl)c(F)c1 ZINC001593495726 1167880476 /nfs/dbraw/zinc/88/04/76/1167880476.db2.gz SEKIEBXTHNVRPL-UHFFFAOYSA-N -1 1 307.676 0.659 20 0 DCADMM O[C@H]([C@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C1)C(F)(F)F ZINC001593498406 1167881060 /nfs/dbraw/zinc/88/10/60/1167881060.db2.gz MVSXEHAFVJQJIJ-IMTBSYHQSA-N -1 1 315.259 0.406 20 0 DCADMM O[C@H]([C@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C1)C(F)(F)F ZINC001593498406 1167881065 /nfs/dbraw/zinc/88/10/65/1167881065.db2.gz MVSXEHAFVJQJIJ-IMTBSYHQSA-N -1 1 315.259 0.406 20 0 DCADMM O[C@H](COc1cccnc1-c1nnn[n-]1)CC1(O)CCCC1 ZINC001593511964 1167891448 /nfs/dbraw/zinc/89/14/48/1167891448.db2.gz NLZNCOPNKKTGAO-JTQLQIEISA-N -1 1 305.338 0.697 20 0 DCADMM O[C@H](COc1cccnc1-c1nn[n-]n1)CC1(O)CCCC1 ZINC001593511964 1167891454 /nfs/dbraw/zinc/89/14/54/1167891454.db2.gz NLZNCOPNKKTGAO-JTQLQIEISA-N -1 1 305.338 0.697 20 0 DCADMM O[C@@H]1CCC[C@H]1[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001593518991 1167891511 /nfs/dbraw/zinc/89/15/11/1167891511.db2.gz HZKUNXZXJGVITE-MVWJERBFSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCC[C@H]1[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001593518991 1167891518 /nfs/dbraw/zinc/89/15/18/1167891518.db2.gz HZKUNXZXJGVITE-MVWJERBFSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCC[C@H]1[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001593519821 1167895804 /nfs/dbraw/zinc/89/58/04/1167895804.db2.gz RBOREGJUEQNZRM-MVWJERBFSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCC[C@H]1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001593519821 1167895809 /nfs/dbraw/zinc/89/58/09/1167895809.db2.gz RBOREGJUEQNZRM-MVWJERBFSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1c2ccccc2OC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001593521580 1167897250 /nfs/dbraw/zinc/89/72/50/1167897250.db2.gz MSLBKVGGWSFVEZ-ZWNOBZJWSA-N -1 1 311.305 0.563 20 0 DCADMM O[C@@H]1c2ccccc2OC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001593521580 1167897257 /nfs/dbraw/zinc/89/72/57/1167897257.db2.gz MSLBKVGGWSFVEZ-ZWNOBZJWSA-N -1 1 311.305 0.563 20 0 DCADMM OCC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)C1CCOCC1 ZINC001593529387 1167905710 /nfs/dbraw/zinc/90/57/10/1167905710.db2.gz RSPPVYVWMPAVFT-SNVBAGLBSA-N -1 1 305.342 0.246 20 0 DCADMM OCC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)C1CCOCC1 ZINC001593529387 1167905719 /nfs/dbraw/zinc/90/57/19/1167905719.db2.gz RSPPVYVWMPAVFT-SNVBAGLBSA-N -1 1 305.342 0.246 20 0 DCADMM OCCSCc1cn(Cc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001593532350 1167913375 /nfs/dbraw/zinc/91/33/75/1167913375.db2.gz SBISQLOFUWFISJ-UHFFFAOYSA-N -1 1 324.395 0.189 20 0 DCADMM OCCSCc1cn(Cc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001593532350 1167913392 /nfs/dbraw/zinc/91/33/92/1167913392.db2.gz SBISQLOFUWFISJ-UHFFFAOYSA-N -1 1 324.395 0.189 20 0 DCADMM O[C@@H]1COCC[C@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593536450 1167915799 /nfs/dbraw/zinc/91/57/99/1167915799.db2.gz KDLYTXPLTGKSEK-RFZPGFLSSA-N -1 1 302.747 0.538 20 0 DCADMM O[C@@H]1COCC[C@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593536450 1167915803 /nfs/dbraw/zinc/91/58/03/1167915803.db2.gz KDLYTXPLTGKSEK-RFZPGFLSSA-N -1 1 302.747 0.538 20 0 DCADMM Oc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)CCO2 ZINC001593539671 1167922097 /nfs/dbraw/zinc/92/20/97/1167922097.db2.gz AUEGHTUVNQLJBN-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM Oc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)CCO2 ZINC001593539671 1167922112 /nfs/dbraw/zinc/92/21/12/1167922112.db2.gz AUEGHTUVNQLJBN-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM c1nc(CNc2nccnc2-c2nnn[n-]2)nn1-c1ccccc1 ZINC001593570024 1167947975 /nfs/dbraw/zinc/94/79/75/1167947975.db2.gz PCIAZDRCVJQXHT-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nc(CNc2nccnc2-c2nn[n-]n2)nn1-c1ccccc1 ZINC001593570024 1167947983 /nfs/dbraw/zinc/94/79/83/1167947983.db2.gz PCIAZDRCVJQXHT-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cnc(N2CCC[C@H](Nc3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001593583531 1167949608 /nfs/dbraw/zinc/94/96/08/1167949608.db2.gz IEPRRHPPYXRCAY-JTQLQIEISA-N -1 1 324.352 0.528 20 0 DCADMM c1cnc(N2CCC[C@H](Nc3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001593583531 1167949611 /nfs/dbraw/zinc/94/96/11/1167949611.db2.gz IEPRRHPPYXRCAY-JTQLQIEISA-N -1 1 324.352 0.528 20 0 DCADMM c1cn(C[C@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)nn1 ZINC001593583270 1167950134 /nfs/dbraw/zinc/95/01/34/1167950134.db2.gz UNKYIMKRDQNREO-JTQLQIEISA-N -1 1 312.341 0.165 20 0 DCADMM c1cn(C[C@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)nn1 ZINC001593583270 1167950140 /nfs/dbraw/zinc/95/01/40/1167950140.db2.gz UNKYIMKRDQNREO-JTQLQIEISA-N -1 1 312.341 0.165 20 0 DCADMM c1nncn1CC1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001593582846 1167950350 /nfs/dbraw/zinc/95/03/50/1167950350.db2.gz BGSOTICUPPALTE-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1nncn1CC1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001593582846 1167950359 /nfs/dbraw/zinc/95/03/59/1167950359.db2.gz BGSOTICUPPALTE-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1nc(-c2nnn[n-]2)cnc1NC[C@@H]1CCC2(CCOCC2)O1 ZINC001593589998 1167952891 /nfs/dbraw/zinc/95/28/91/1167952891.db2.gz BKSONXFFNHBLMQ-JTQLQIEISA-N -1 1 317.353 0.797 20 0 DCADMM c1nc(-c2nn[n-]n2)cnc1NC[C@@H]1CCC2(CCOCC2)O1 ZINC001593589998 1167952895 /nfs/dbraw/zinc/95/28/95/1167952895.db2.gz BKSONXFFNHBLMQ-JTQLQIEISA-N -1 1 317.353 0.797 20 0 DCADMM CCn1ccc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])n1 ZINC001597335302 1168005034 /nfs/dbraw/zinc/00/50/34/1168005034.db2.gz CLHGBORFYSBGHO-UHFFFAOYSA-N -1 1 324.362 0.437 20 0 DCADMM COC(=O)Cn1cc(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)nn1 ZINC001598876923 1168058645 /nfs/dbraw/zinc/05/86/45/1168058645.db2.gz WBAOQIXBQBAQSQ-NXEZZACHSA-N -1 1 310.354 0.525 20 0 DCADMM Cc1c(F)ccc(N)c1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600021684 1168100376 /nfs/dbraw/zinc/10/03/76/1168100376.db2.gz NCOHZIZLUSWRJK-NSHDSACASA-N -1 1 306.297 0.865 20 0 DCADMM Cc1cc(CNC[C@]23COCCN2C(=O)COC3)oc1C(=O)[O-] ZINC001600205881 1168138989 /nfs/dbraw/zinc/13/89/89/1168138989.db2.gz BKXXBFRMVYIXDA-OAHLLOKOSA-N -1 1 324.333 0.004 20 0 DCADMM Cc1ccc([C@@H](CNC(=O)CCCc2nn[nH]n2)C(=O)[O-])cc1 ZINC001600379321 1168176022 /nfs/dbraw/zinc/17/60/22/1168176022.db2.gz XDMTZVUPNARMIX-GFCCVEGCSA-N -1 1 317.349 0.815 20 0 DCADMM Cc1ccc2[nH]nnc2c1NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001600490208 1168192016 /nfs/dbraw/zinc/19/20/16/1168192016.db2.gz HIYRMTUHCUPHEZ-UHFFFAOYSA-N -1 1 300.278 0.800 20 0 DCADMM Cc1ccc2nc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])cn2c1 ZINC001600502093 1168192316 /nfs/dbraw/zinc/19/23/16/1168192316.db2.gz XDRSDPAHEAADQU-NSHDSACASA-N -1 1 313.317 0.792 20 0 DCADMM Cc1ccccc1CN(C)C(=O)CN1CC[C@](O)(C(=O)[O-])C1 ZINC001600580969 1168202352 /nfs/dbraw/zinc/20/23/52/1168202352.db2.gz QJMDAQRDHDFHDZ-MRXNPFEDSA-N -1 1 306.362 0.475 20 0 DCADMM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H]1CCCCN1CCO ZINC001600643659 1168226598 /nfs/dbraw/zinc/22/65/98/1168226598.db2.gz NECNJRBVWXGOHQ-LBPRGKRZSA-N -1 1 324.377 0.792 20 0 DCADMM Cc1n[nH]cc1C1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001600674631 1168245811 /nfs/dbraw/zinc/24/58/11/1168245811.db2.gz HWPWKXLZIIMXLQ-AWEZNQCLSA-N -1 1 320.393 0.973 20 0 DCADMM Cc1nc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)cs1 ZINC001600701743 1168258880 /nfs/dbraw/zinc/25/88/80/1168258880.db2.gz MCVYRNAOHZOBTP-BSJXLVFVSA-N -1 1 309.391 0.909 20 0 DCADMM Cc1nc(N2CCN(Cc3nnc[nH]3)CC2)ccc1C(=O)[O-] ZINC001600711197 1168260143 /nfs/dbraw/zinc/26/01/43/1168260143.db2.gz NAHQKBOQBVTGGB-UHFFFAOYSA-N -1 1 302.338 0.529 20 0 DCADMM Cc1ncsc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600761191 1168281342 /nfs/dbraw/zinc/28/13/42/1168281342.db2.gz YCTUHUFLCQPZSD-ZMWSMAPVSA-N -1 1 306.347 1.000 20 0 DCADMM Cc1nnc(SCCC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)[nH]1 ZINC001600799908 1168300047 /nfs/dbraw/zinc/30/00/47/1168300047.db2.gz YTIUKRLDPUGOBD-ZDMBXUJBSA-N -1 1 310.379 0.965 20 0 DCADMM Cc1noc(C)c1C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001600806832 1168301473 /nfs/dbraw/zinc/30/14/73/1168301473.db2.gz ZQPLAUSIVITWPT-UHFFFAOYSA-N -1 1 324.381 0.066 20 0 DCADMM Cn1c(=O)c2ccc(C(=O)N3CC[C@H]3C(=O)[O-])cc2[nH]c1=S ZINC001600920140 1168509623 /nfs/dbraw/zinc/50/96/23/1168509623.db2.gz OXBLPLKAZDMJHP-JTQLQIEISA-N -1 1 319.342 0.521 20 0 DCADMM Cn1cnc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1=O ZINC001600986564 1168545718 /nfs/dbraw/zinc/54/57/18/1168545718.db2.gz BMBYUEFOJNODBZ-UHFFFAOYSA-N -1 1 313.273 0.607 20 0 DCADMM Cn1nccc1[C@H]1CCCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001601037463 1168574753 /nfs/dbraw/zinc/57/47/53/1168574753.db2.gz XVUIYNFVVVQRHO-GXTWGEPZSA-N -1 1 320.393 0.675 20 0 DCADMM NS(=O)(=O)c1cc(CN[C@]2(CC(=O)[O-])CCCOC2)co1 ZINC001601195500 1168653957 /nfs/dbraw/zinc/65/39/57/1168653957.db2.gz APKMVGVCEAUUBF-LBPRGKRZSA-N -1 1 318.351 0.041 20 0 DCADMM Nc1ncccc1CN1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001601221579 1168665022 /nfs/dbraw/zinc/66/50/22/1168665022.db2.gz IMPUWGSVEKEZLG-UHFFFAOYSA-N -1 1 302.338 0.791 20 0 DCADMM O=C([O-])c1coc(/C=C/C(=O)NCCN2CCC(O)CC2)c1 ZINC001601233750 1168672987 /nfs/dbraw/zinc/67/29/87/1168672987.db2.gz OMFQANSRYNYVSF-OWOJBTEDSA-N -1 1 308.334 0.564 20 0 DCADMM O=C([O-])c1ccc(/C=C\C(=O)NC[C@@H]2CN3CCN2CCC3)o1 ZINC001601236762 1168673425 /nfs/dbraw/zinc/67/34/25/1168673425.db2.gz HBDKZKICWDOMTH-KTLBGCOUSA-N -1 1 319.361 0.497 20 0 DCADMM O=C([O-])c1ccccc1CNC(=O)CN1CCC(CO)CC1 ZINC001601304762 1168698108 /nfs/dbraw/zinc/69/81/08/1168698108.db2.gz CPVVFYBDZFZFKI-UHFFFAOYSA-N -1 1 306.362 0.705 20 0 DCADMM O=C([O-])[C@@]1(O)CCN(CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC001601305028 1168698657 /nfs/dbraw/zinc/69/86/57/1168698657.db2.gz XXWFHRUBNYAKCJ-MLGOLLRUSA-N -1 1 320.345 0.148 20 0 DCADMM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNCC(=O)Nc1ccccc1F ZINC001601328019 1168710002 /nfs/dbraw/zinc/71/00/02/1168710002.db2.gz YYDANKOKYBASQY-ZJUUUORDSA-N -1 1 323.324 0.191 20 0 DCADMM O=C(CSc1nncs1)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001601351113 1168715334 /nfs/dbraw/zinc/71/53/34/1168715334.db2.gz CPCHKWSSZWYGAG-ZETCQYMHSA-N -1 1 313.364 0.165 20 0 DCADMM O=C([O-])[C@@]1(N2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)CCOC1 ZINC001601352340 1168716885 /nfs/dbraw/zinc/71/68/85/1168716885.db2.gz QVQNMJURTXDCNN-GRDNDAEWSA-N -1 1 322.405 0.811 20 0 DCADMM O=C([O-])[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1cccnc1 ZINC001601402031 1168732544 /nfs/dbraw/zinc/73/25/44/1168732544.db2.gz KSGPJXRUQQKUIZ-RNCFNFMXSA-N -1 1 300.318 0.852 20 0 DCADMM O=C([O-])[C@H](CCC1OCCO1)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001601411533 1168736260 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O=C([O-])c1cc(S(=O)(=O)Oc2ccc3cncnc3c2)[nH]n1 ZINC001602298105 1169052262 /nfs/dbraw/zinc/05/22/62/1169052262.db2.gz KIPLQAKJEIPELX-UHFFFAOYSA-N -1 1 320.286 0.819 20 0 DCADMM O=C([O-])c1cc2c(cc1NC(=O)N1CCNCC1)OCCCO2 ZINC001602301174 1169052479 /nfs/dbraw/zinc/05/24/79/1169052479.db2.gz GDQOKCQXHGPCMT-UHFFFAOYSA-N -1 1 321.333 0.983 20 0 DCADMM O=C([O-])c1cc(S(=O)(=O)NCc2nccn2C(F)F)on1 ZINC001602297844 1169053021 /nfs/dbraw/zinc/05/30/21/1169053021.db2.gz OSAHCKXFVQOPPL-UHFFFAOYSA-N -1 1 322.249 0.443 20 0 DCADMM O=C([O-])c1cccc(C(=O)N2CCC(c3nn[nH]n3)CC2)n1 ZINC001602431525 1169078129 /nfs/dbraw/zinc/07/81/29/1169078129.db2.gz AWZZWEMESDHNBD-UHFFFAOYSA-N -1 1 302.294 0.313 20 0 DCADMM O=C([O-])c1ccccc1C(=O)N1CCC(O)(c2nn[nH]n2)CC1 ZINC001602464744 1169081677 /nfs/dbraw/zinc/08/16/77/1169081677.db2.gz DJZREMUADRKUEA-UHFFFAOYSA-N -1 1 317.305 0.022 20 0 DCADMM O=C([O-])c1ccnc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC001602478227 1169085990 /nfs/dbraw/zinc/08/59/90/1169085990.db2.gz 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ZINC001606237408 1170130700 /nfs/dbraw/zinc/13/07/00/1170130700.db2.gz RCMQVESPLIHIPS-UHFFFAOYSA-N -1 1 301.310 0.556 20 0 DCADMM Cn1cc(CCCNC(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001606237408 1170130703 /nfs/dbraw/zinc/13/07/03/1170130703.db2.gz RCMQVESPLIHIPS-UHFFFAOYSA-N -1 1 301.310 0.556 20 0 DCADMM CNC(=O)[C@@H]1CCN(Cn2nc(C(=O)[O-])c3ccccc32)C1 ZINC001606265799 1170140989 /nfs/dbraw/zinc/14/09/89/1170140989.db2.gz BMUCECZTUITHIF-SNVBAGLBSA-N -1 1 302.334 0.760 20 0 DCADMM CNC(=O)Cc1noc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC001606277976 1170145399 /nfs/dbraw/zinc/14/53/99/1170145399.db2.gz WPDCQUXAVVRPHW-JTQLQIEISA-N -1 1 324.381 0.681 20 0 DCADMM CNC(=O)Cc1noc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC001606277976 1170145403 /nfs/dbraw/zinc/14/54/03/1170145403.db2.gz WPDCQUXAVVRPHW-JTQLQIEISA-N -1 1 324.381 0.681 20 0 DCADMM CNC(=O)NCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001606281206 1170147800 /nfs/dbraw/zinc/14/78/00/1170147800.db2.gz QMTIXDRQAWCOSW-UHFFFAOYSA-N -1 1 305.294 0.519 20 0 DCADMM Cn1nccc1[C@@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606281173 1170148402 /nfs/dbraw/zinc/14/84/02/1170148402.db2.gz RVLKPKHOPZQLHJ-ZDUSSCGKSA-N -1 1 324.348 0.973 20 0 DCADMM Cn1nccc1[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606281173 1170148406 /nfs/dbraw/zinc/14/84/06/1170148406.db2.gz RVLKPKHOPZQLHJ-ZDUSSCGKSA-N -1 1 324.348 0.973 20 0 DCADMM FC(F)(F)Cn1cc(Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001606289075 1170150430 /nfs/dbraw/zinc/15/04/30/1170150430.db2.gz SWCBFFBENHRFPI-UHFFFAOYSA-N -1 1 311.231 0.581 20 0 DCADMM FC(F)(F)[C@@H]1CCC[C@H](Cn2cnc(-c3nn[n-]n3)n2)O1 ZINC001606288136 1170150711 /nfs/dbraw/zinc/15/07/11/1170150711.db2.gz IYMBWTAQGALRLC-RQJHMYQMSA-N -1 1 303.248 0.958 20 0 DCADMM FC(F)C1(NCc2cnc3c(-c4nnn[n-]4)cnn3c2)CC1 ZINC001606296228 1170152966 /nfs/dbraw/zinc/15/29/66/1170152966.db2.gz FCKPYQNCWGYWRK-UHFFFAOYSA-N -1 1 306.280 0.797 20 0 DCADMM FC(F)C1(NCc2cnc3c(-c4nn[n-]n4)cnn3c2)CC1 ZINC001606296228 1170152969 /nfs/dbraw/zinc/15/29/69/1170152969.db2.gz FCKPYQNCWGYWRK-UHFFFAOYSA-N -1 1 306.280 0.797 20 0 DCADMM F[C@H]1C[C@H]2CN(Cc3nc(-c4nnn[n-]4)cs3)CCN2C1 ZINC001606304318 1170155954 /nfs/dbraw/zinc/15/59/54/1170155954.db2.gz UEQJAUQYTVRHKH-IUCAKERBSA-N -1 1 309.374 0.551 20 0 DCADMM F[C@H]1C[C@H]2CN(Cc3nc(-c4nn[n-]n4)cs3)CCN2C1 ZINC001606304318 1170155955 /nfs/dbraw/zinc/15/59/55/1170155955.db2.gz UEQJAUQYTVRHKH-IUCAKERBSA-N -1 1 309.374 0.551 20 0 DCADMM COC(=O)[C@@H](CCC(=O)[O-])N1CCC[C@H](CCC(N)=O)C1 ZINC001606334527 1170161837 /nfs/dbraw/zinc/16/18/37/1170161837.db2.gz YPOYTQIPHJIVLQ-GHMZBOCLSA-N -1 1 300.355 0.370 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H](C(=O)[O-])C1 ZINC001606402340 1170185373 /nfs/dbraw/zinc/18/53/73/1170185373.db2.gz CFVRSMVTDURGAR-MWLCHTKSSA-N -1 1 309.322 0.207 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNc2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001606426440 1170196153 /nfs/dbraw/zinc/19/61/53/1170196153.db2.gz ZNMKVFNHWIOARN-KYZUINATSA-N -1 1 302.342 0.360 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNc2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001606426440 1170196156 /nfs/dbraw/zinc/19/61/56/1170196156.db2.gz ZNMKVFNHWIOARN-KYZUINATSA-N -1 1 302.342 0.360 20 0 DCADMM COC(=O)[C@H]1CNCCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001606431241 1170198181 /nfs/dbraw/zinc/19/81/81/1170198181.db2.gz IVIFHOHLIHBMLL-VLWUPBBWSA-N -1 1 322.317 0.355 20 0 DCADMM COC(=O)C[C@@H](C)CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001606441245 1170203577 /nfs/dbraw/zinc/20/35/77/1170203577.db2.gz QYVLIHXCIGYZKK-RYUDHWBXSA-N -1 1 314.382 0.583 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cn2ccnc2s1 ZINC001606446242 1170205964 /nfs/dbraw/zinc/20/59/64/1170205964.db2.gz KNKWAPPHIWCJGN-UHFFFAOYSA-N -1 1 301.295 0.043 20 0 DCADMM COC(=O)CCN(CC(=O)Nc1cccc(C(=O)[O-])n1)C(C)C ZINC001606454010 1170208886 /nfs/dbraw/zinc/20/88/86/1170208886.db2.gz RKRYCPXVOOZWFL-UHFFFAOYSA-N -1 1 323.349 0.992 20 0 DCADMM Nc1nnc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])s1 ZINC001606456446 1170210640 /nfs/dbraw/zinc/21/06/40/1170210640.db2.gz SESVUVLXCCVVLM-UHFFFAOYSA-N -1 1 318.322 0.187 20 0 DCADMM COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001606505901 1170223855 /nfs/dbraw/zinc/22/38/55/1170223855.db2.gz MQJJCNJNVFVPQG-JBLDHEPKSA-N -1 1 323.349 0.501 20 0 DCADMM O=C(CCc1nc2cccnc2[nH]1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606536059 1170230571 /nfs/dbraw/zinc/23/05/71/1170230571.db2.gz UIXQRCAREONCSI-UHFFFAOYSA-N -1 1 324.308 0.432 20 0 DCADMM O=C(CCc1nc2cccnc2[nH]1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606536059 1170230575 /nfs/dbraw/zinc/23/05/75/1170230575.db2.gz UIXQRCAREONCSI-UHFFFAOYSA-N -1 1 324.308 0.432 20 0 DCADMM O=C(CNc1nc(Cl)c(-c2nnn[n-]2)s1)NCC1CC1 ZINC001606560015 1170235720 /nfs/dbraw/zinc/23/57/20/1170235720.db2.gz TUPQDINTSXCIFH-UHFFFAOYSA-N -1 1 313.774 0.915 20 0 DCADMM O=C(CNc1nc(Cl)c(-c2nn[n-]n2)s1)NCC1CC1 ZINC001606560015 1170235723 /nfs/dbraw/zinc/23/57/23/1170235723.db2.gz TUPQDINTSXCIFH-UHFFFAOYSA-N -1 1 313.774 0.915 20 0 DCADMM COC(=O)c1ccoc1S(=O)(=O)N[C@H](CCF)C(=O)[O-] ZINC001606622918 1170238742 /nfs/dbraw/zinc/23/87/42/1170238742.db2.gz IZZQQBJTSYZCFN-SSDOTTSWSA-N -1 1 309.271 0.157 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCc2occc2C1 ZINC001606620348 1170245141 /nfs/dbraw/zinc/24/51/41/1170245141.db2.gz JMXBSAONTZXHGN-UHFFFAOYSA-N -1 1 314.309 0.026 20 0 DCADMM O=C(N[C@H]1CCCC12OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC001606667604 1170256831 /nfs/dbraw/zinc/25/68/31/1170256831.db2.gz SDFWNXDXCHPMIT-JTQLQIEISA-N -1 1 321.362 0.954 20 0 DCADMM O=C(N[C@H]1CCCC12OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC001606667604 1170256835 /nfs/dbraw/zinc/25/68/35/1170256835.db2.gz SDFWNXDXCHPMIT-JTQLQIEISA-N -1 1 321.362 0.954 20 0 DCADMM O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccc(-c2nnn[n-]2)o1 ZINC001606749262 1170277943 /nfs/dbraw/zinc/27/79/43/1170277943.db2.gz IACZGMNJVOHZPJ-SECBINFHSA-N -1 1 319.321 0.875 20 0 DCADMM O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccc(-c2nn[n-]n2)o1 ZINC001606749262 1170277950 /nfs/dbraw/zinc/27/79/50/1170277950.db2.gz IACZGMNJVOHZPJ-SECBINFHSA-N -1 1 319.321 0.875 20 0 DCADMM O=C(NCC[C@H](O)C1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606753603 1170278914 /nfs/dbraw/zinc/27/89/14/1170278914.db2.gz UVGYNSQBFUGVCL-ZDUSSCGKSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NCC[C@H](O)C1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606753603 1170278921 /nfs/dbraw/zinc/27/89/21/1170278921.db2.gz UVGYNSQBFUGVCL-ZDUSSCGKSA-N -1 1 316.365 0.933 20 0 DCADMM CO[C@@H]1CCN(C(=O)c2cccc3nn[nH]c32)[C@H](C(=O)[O-])C1 ZINC001606753290 1170279647 /nfs/dbraw/zinc/27/96/47/1170279647.db2.gz ILFZEDHQFPCAEP-KCJUWKMLSA-N -1 1 304.306 0.662 20 0 DCADMM O=C(NCCC1(O)CCOCC1)c1ccsc1-c1nnn[n-]1 ZINC001606757565 1170279772 /nfs/dbraw/zinc/27/97/72/1170279772.db2.gz DMKMZRWQERGAKE-UHFFFAOYSA-N -1 1 323.378 0.590 20 0 DCADMM O=C(NCCC1(O)CCOCC1)c1ccsc1-c1nn[n-]n1 ZINC001606757565 1170279777 /nfs/dbraw/zinc/27/97/77/1170279777.db2.gz DMKMZRWQERGAKE-UHFFFAOYSA-N -1 1 323.378 0.590 20 0 DCADMM O=C(NCCC[C@H]1CCOC1=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606765606 1170281540 /nfs/dbraw/zinc/28/15/40/1170281540.db2.gz FJIBVWHTEKKZPU-VIFPVBQESA-N -1 1 316.321 0.335 20 0 DCADMM O=C(NCCC[C@H]1CCOC1=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606765606 1170281543 /nfs/dbraw/zinc/28/15/43/1170281543.db2.gz FJIBVWHTEKKZPU-VIFPVBQESA-N -1 1 316.321 0.335 20 0 DCADMM O=C(NCCOc1ncccc1F)c1coc(-c2nnn[n-]2)c1 ZINC001606789557 1170289661 /nfs/dbraw/zinc/28/96/61/1170289661.db2.gz OVWMEYDUSQUWGI-UHFFFAOYSA-N -1 1 318.268 0.803 20 0 DCADMM O=C(NCCOc1ncccc1F)c1coc(-c2nn[n-]n2)c1 ZINC001606789557 1170289663 /nfs/dbraw/zinc/28/96/63/1170289663.db2.gz OVWMEYDUSQUWGI-UHFFFAOYSA-N -1 1 318.268 0.803 20 0 DCADMM O=C(NCCOC[C@H]1CCCO1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606786795 1170289797 /nfs/dbraw/zinc/28/97/97/1170289797.db2.gz IUYFWGPYADFZCK-LLVKDONJSA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCOC[C@H]1CCCO1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606786795 1170289802 /nfs/dbraw/zinc/28/98/02/1170289802.db2.gz IUYFWGPYADFZCK-LLVKDONJSA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CSCCS1 ZINC001606842584 1170309638 /nfs/dbraw/zinc/30/96/38/1170309638.db2.gz XLBDINFQFSWZAP-SNVBAGLBSA-N -1 1 322.419 0.727 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CSCCS1 ZINC001606842584 1170309642 /nfs/dbraw/zinc/30/96/42/1170309642.db2.gz XLBDINFQFSWZAP-SNVBAGLBSA-N -1 1 322.419 0.727 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(-n2ccnn2)cc1 ZINC001606945481 1170336054 /nfs/dbraw/zinc/33/60/54/1170336054.db2.gz GIHNOXZUGQOCRC-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(OCCCC1OCCO1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606967997 1170342191 /nfs/dbraw/zinc/34/21/91/1170342191.db2.gz CPDDHZMIYSRDAF-UHFFFAOYSA-N -1 1 305.294 0.572 20 0 DCADMM O=C(OCCCC1OCCO1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606967997 1170342194 /nfs/dbraw/zinc/34/21/94/1170342194.db2.gz CPDDHZMIYSRDAF-UHFFFAOYSA-N -1 1 305.294 0.572 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ncon1 ZINC001607032471 1170360322 /nfs/dbraw/zinc/36/03/22/1170360322.db2.gz CSVKSFCLNDRVIE-MRVPVSSYSA-N -1 1 301.266 0.820 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ncon1 ZINC001607032471 1170360332 /nfs/dbraw/zinc/36/03/32/1170360332.db2.gz CSVKSFCLNDRVIE-MRVPVSSYSA-N -1 1 301.266 0.820 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCO[C@]2(CCCOC2)C1 ZINC001607033562 1170360449 /nfs/dbraw/zinc/36/04/49/1170360449.db2.gz XLBXWCGBGSKKBD-CQSZACIVSA-N -1 1 319.321 0.481 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCO[C@]2(CCCOC2)C1 ZINC001607033562 1170360456 /nfs/dbraw/zinc/36/04/56/1170360456.db2.gz XLBXWCGBGSKKBD-CQSZACIVSA-N -1 1 319.321 0.481 20 0 DCADMM O=C1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1c1ccccc1 ZINC001607037096 1170363600 /nfs/dbraw/zinc/36/36/00/1170363600.db2.gz QZVDQACDQWQKMD-NSHDSACASA-N -1 1 308.305 0.484 20 0 DCADMM O=C1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1c1ccccc1 ZINC001607037096 1170363611 /nfs/dbraw/zinc/36/36/11/1170363611.db2.gz QZVDQACDQWQKMD-NSHDSACASA-N -1 1 308.305 0.484 20 0 DCADMM O=C(OC[C@H]1CCC(=O)NC1)c1ccc(-c2nnn[n-]2)s1 ZINC001607044315 1170368277 /nfs/dbraw/zinc/36/82/77/1170368277.db2.gz 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1170386255 /nfs/dbraw/zinc/38/62/55/1170386255.db2.gz LJXZAOWVPATHPM-UHFFFAOYSA-N -1 1 313.252 0.752 20 0 DCADMM O=c1c2ccc(F)cc2nnn1Cc1ccc(-c2nn[n-]n2)o1 ZINC001607090204 1170386261 /nfs/dbraw/zinc/38/62/61/1170386261.db2.gz LJXZAOWVPATHPM-UHFFFAOYSA-N -1 1 313.252 0.752 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001607091875 1170389210 /nfs/dbraw/zinc/38/92/10/1170389210.db2.gz LWYABNFPBSLVLC-ABAIWWIYSA-N -1 1 317.349 0.757 20 0 DCADMM c1nn(-c2ncccn2)cc1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001607133731 1170407330 /nfs/dbraw/zinc/40/73/30/1170407330.db2.gz NLUUZLDHERCHFF-UHFFFAOYSA-N -1 1 307.281 0.376 20 0 DCADMM c1nn(-c2ncccn2)cc1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001607133731 1170407332 /nfs/dbraw/zinc/40/73/32/1170407332.db2.gz NLUUZLDHERCHFF-UHFFFAOYSA-N -1 1 307.281 0.376 20 0 DCADMM c1cn2ncc(-c3nn[n-]n3)c2n1CCO[C@H]1CCCCO1 ZINC001607137494 1170409100 /nfs/dbraw/zinc/40/91/00/1170409100.db2.gz BOWCVVVOVULNMF-NSHDSACASA-N -1 1 303.326 0.859 20 0 DCADMM COc1cccc(C[C@H](NCC(=O)N(C)C2CC2)C(=O)[O-])c1 ZINC001607319732 1170427002 /nfs/dbraw/zinc/42/70/02/1170427002.db2.gz VISMWYBUOIGMKT-AWEZNQCLSA-N -1 1 306.362 0.901 20 0 DCADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001607500844 1170468218 /nfs/dbraw/zinc/46/82/18/1170468218.db2.gz YQINXANSSXGCGG-NSHDSACASA-N -1 1 321.255 0.958 20 0 DCADMM Cc1cc(C)n(CCC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)n1 ZINC001607629503 1170485625 /nfs/dbraw/zinc/48/56/25/1170485625.db2.gz BWIUUADJIHXIRB-AWEZNQCLSA-N -1 1 322.409 0.897 20 0 DCADMM Cc1cc(C)n(CCC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)n1 ZINC001607629505 1170485948 /nfs/dbraw/zinc/48/59/48/1170485948.db2.gz BWIUUADJIHXIRB-CQSZACIVSA-N -1 1 322.409 0.897 20 0 DCADMM Cc1cc(NS(=O)(=O)c2cccc(C(N)=O)c2)c(C(=O)[O-])[nH]1 ZINC001607697250 1170497178 /nfs/dbraw/zinc/49/71/78/1170497178.db2.gz CUMGRPAHKQNUFC-UHFFFAOYSA-N -1 1 323.330 0.921 20 0 DCADMM Cc1csc(=O)n1CCN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001607921817 1170525182 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CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001609242104 1170897231 /nfs/dbraw/zinc/89/72/31/1170897231.db2.gz OOBUHXIDFONIHF-DTORHVGOSA-N -1 1 324.366 0.108 20 0 DCADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001609242104 1170897242 /nfs/dbraw/zinc/89/72/42/1170897242.db2.gz OOBUHXIDFONIHF-DTORHVGOSA-N -1 1 324.366 0.108 20 0 DCADMM CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001609255636 1170900027 /nfs/dbraw/zinc/90/00/27/1170900027.db2.gz PDANWXCDFGNDOO-UHFFFAOYSA-N -1 1 323.338 0.556 20 0 DCADMM CCc1ncsc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609255724 1170901127 /nfs/dbraw/zinc/90/11/27/1170901127.db2.gz ZIEDXFLCKXYPBN-LURJTMIESA-N -1 1 319.354 0.677 20 0 DCADMM CN(C(=O)COc1cnc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001609261814 1170902202 /nfs/dbraw/zinc/90/22/02/1170902202.db2.gz QTYQZPIREHOOLQ-UHFFFAOYSA-N -1 1 311.305 0.699 20 0 DCADMM CN(c1cnn(C)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609282154 1170908830 /nfs/dbraw/zinc/90/88/30/1170908830.db2.gz ISHHZXSERVJKCQ-UHFFFAOYSA-N -1 1 309.311 0.018 20 0 DCADMM CNC(=O)[C@H]1CCC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609286570 1170912367 /nfs/dbraw/zinc/91/23/67/1170912367.db2.gz JVCOTEDJPDNNJI-DTWKUNHWSA-N -1 1 302.342 0.292 20 0 DCADMM CNC(=O)[C@H]1CCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609286570 1170912373 /nfs/dbraw/zinc/91/23/73/1170912373.db2.gz JVCOTEDJPDNNJI-DTWKUNHWSA-N -1 1 302.342 0.292 20 0 DCADMM COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609296467 1170919947 /nfs/dbraw/zinc/91/99/47/1170919947.db2.gz KQVXPAVRCCWPMT-PSASIEDQSA-N -1 1 319.321 0.840 20 0 DCADMM COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609296467 1170919950 /nfs/dbraw/zinc/91/99/50/1170919950.db2.gz KQVXPAVRCCWPMT-PSASIEDQSA-N -1 1 319.321 0.840 20 0 DCADMM COC(=O)CCN(C(=O)c1ccc(-c2nnn[n-]2)o1)C(C)C ZINC001609298876 1170921754 /nfs/dbraw/zinc/92/17/54/1170921754.db2.gz IRJFHOJROSCSNC-UHFFFAOYSA-N -1 1 307.310 0.873 20 0 DCADMM COC(=O)CCN(C(=O)c1ccc(-c2nn[n-]n2)o1)C(C)C ZINC001609298876 1170921760 /nfs/dbraw/zinc/92/17/60/1170921760.db2.gz IRJFHOJROSCSNC-UHFFFAOYSA-N -1 1 307.310 0.873 20 0 DCADMM COC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccco1 ZINC001609317568 1170932707 /nfs/dbraw/zinc/93/27/07/1170932707.db2.gz DRFCTYIMCKSVBC-NSHDSACASA-N -1 1 314.305 0.972 20 0 DCADMM COC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccco1 ZINC001609317568 1170932714 /nfs/dbraw/zinc/93/27/14/1170932714.db2.gz DRFCTYIMCKSVBC-NSHDSACASA-N -1 1 314.305 0.972 20 0 DCADMM COCC1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCOCC1 ZINC001609319739 1170933940 /nfs/dbraw/zinc/93/39/40/1170933940.db2.gz XDONSLRTIFCASK-UHFFFAOYSA-N -1 1 321.337 0.633 20 0 DCADMM COCC1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCOCC1 ZINC001609319739 1170933946 /nfs/dbraw/zinc/93/39/46/1170933946.db2.gz XDONSLRTIFCASK-UHFFFAOYSA-N -1 1 321.337 0.633 20 0 DCADMM COCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609323458 1170936380 /nfs/dbraw/zinc/93/63/80/1170936380.db2.gz AAPGWPZWEGEAPN-UHFFFAOYSA-N -1 1 315.330 0.321 20 0 DCADMM COCCc1nc(COc2cccnc2-c2nnn[n-]2)no1 ZINC001609329808 1170942315 /nfs/dbraw/zinc/94/23/15/1170942315.db2.gz BICANCXUTUSYBM-UHFFFAOYSA-N -1 1 303.282 0.413 20 0 DCADMM COCCc1nc(COc2cccnc2-c2nn[n-]n2)no1 ZINC001609329808 1170942317 /nfs/dbraw/zinc/94/23/17/1170942317.db2.gz BICANCXUTUSYBM-UHFFFAOYSA-N -1 1 303.282 0.413 20 0 DCADMM CS(=O)(=O)C[C@H]1CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001609366607 1170949447 /nfs/dbraw/zinc/94/94/47/1170949447.db2.gz FCLDLENAFOGAGB-VIFPVBQESA-N -1 1 308.367 0.133 20 0 DCADMM CS(=O)(=O)C[C@H]1CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001609366607 1170949448 /nfs/dbraw/zinc/94/94/48/1170949448.db2.gz FCLDLENAFOGAGB-VIFPVBQESA-N -1 1 308.367 0.133 20 0 DCADMM CS(=O)(=O)C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609366748 1170949819 /nfs/dbraw/zinc/94/98/19/1170949819.db2.gz NAZVGNBRNBFOQS-VIFPVBQESA-N -1 1 308.367 0.133 20 0 DCADMM CS(=O)(=O)C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609366748 1170949823 /nfs/dbraw/zinc/94/98/23/1170949823.db2.gz NAZVGNBRNBFOQS-VIFPVBQESA-N -1 1 308.367 0.133 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCS(=O)(=O)C2)n1 ZINC001609392007 1170961344 /nfs/dbraw/zinc/96/13/44/1170961344.db2.gz CWBMSUVESGGXON-SECBINFHSA-N -1 1 323.382 0.202 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCS(=O)(=O)C2)n1 ZINC001609392007 1170961354 /nfs/dbraw/zinc/96/13/54/1170961354.db2.gz CWBMSUVESGGXON-SECBINFHSA-N -1 1 323.382 0.202 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](CO)Cc2ccccc2)n1 ZINC001609392518 1170964512 /nfs/dbraw/zinc/96/45/12/1170964512.db2.gz SRYLSZRRYQTDJD-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](CO)Cc2ccccc2)n1 ZINC001609392518 1170964516 /nfs/dbraw/zinc/96/45/16/1170964516.db2.gz SRYLSZRRYQTDJD-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1cc(N2CCN3C(=O)OC[C@@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001609405487 1170967663 /nfs/dbraw/zinc/96/76/63/1170967663.db2.gz MLLINCKIBXJHNA-JTQLQIEISA-N -1 1 301.310 0.211 20 0 DCADMM Cc1cc(N2CCN3C(=O)OC[C@@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001609405487 1170967667 /nfs/dbraw/zinc/96/76/67/1170967667.db2.gz MLLINCKIBXJHNA-JTQLQIEISA-N -1 1 301.310 0.211 20 0 DCADMM Cc1cc(N[C@@H]2C[C@@H]3CCCCN3C2=O)cc(-c2nnn[n-]2)n1 ZINC001609408532 1170968874 /nfs/dbraw/zinc/96/88/74/1170968874.db2.gz AXXDMAWRAFBQKF-WCQYABFASA-N -1 1 313.365 0.557 20 0 DCADMM Cc1cc(N[C@@H]2C[C@@H]3CCCCN3C2=O)cc(-c2nn[n-]n2)n1 ZINC001609408532 1170968882 /nfs/dbraw/zinc/96/88/82/1170968882.db2.gz AXXDMAWRAFBQKF-WCQYABFASA-N -1 1 313.365 0.557 20 0 DCADMM Cc1ccc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c(C)n1 ZINC001609425713 1170973511 /nfs/dbraw/zinc/97/35/11/1170973511.db2.gz HLTOMNKIKMJGOR-SECBINFHSA-N -1 1 313.325 0.670 20 0 DCADMM Cc1ccc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cc1C ZINC001609424256 1170974984 /nfs/dbraw/zinc/97/49/84/1170974984.db2.gz XWXUDPLMTBXZEI-UHFFFAOYSA-N -1 1 312.333 0.392 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cn(C)nc2C2CC2)c1-c1nn[n-]n1 ZINC001609444420 1170979203 /nfs/dbraw/zinc/97/92/03/1170979203.db2.gz BNXFEBLFQVRLIS-UHFFFAOYSA-N -1 1 313.325 0.761 20 0 DCADMM Cc1onc(CC(=O)NCCOCC(F)F)c1-c1nnn[n-]1 ZINC001609470920 1170989594 /nfs/dbraw/zinc/98/95/94/1170989594.db2.gz DIJQCBXZDITWST-UHFFFAOYSA-N -1 1 316.268 0.104 20 0 DCADMM Cc1onc(CC(=O)NCCOCC(F)F)c1-c1nn[n-]n1 ZINC001609470920 1170989598 /nfs/dbraw/zinc/98/95/98/1170989598.db2.gz DIJQCBXZDITWST-UHFFFAOYSA-N -1 1 316.268 0.104 20 0 DCADMM Cn1ccnc1[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609480394 1170994098 /nfs/dbraw/zinc/99/40/98/1170994098.db2.gz FFTJFZJKQATSCQ-VIFPVBQESA-N -1 1 313.321 0.823 20 0 DCADMM NC(=O)[C@@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001609502727 1171001366 /nfs/dbraw/zinc/00/13/66/1171001366.db2.gz QIKTZVUWYKTIHN-RXMQYKEDSA-N -1 1 313.774 0.678 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccoc1Br ZINC001609511023 1171003979 /nfs/dbraw/zinc/00/39/79/1171003979.db2.gz SMRNKMFXZYPMNG-UHFFFAOYSA-N -1 1 324.098 0.689 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1nc2c(s1)CCC2 ZINC001609511072 1171004139 /nfs/dbraw/zinc/00/41/39/1171004139.db2.gz WFAUXFPTYDYIDI-UHFFFAOYSA-N -1 1 302.323 0.279 20 0 DCADMM O=C(NC1CC1)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001609540149 1171015633 /nfs/dbraw/zinc/01/56/33/1171015633.db2.gz QBORXTDBDVDYLZ-SECBINFHSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC1CC1)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001609540149 1171015639 /nfs/dbraw/zinc/01/56/39/1171015639.db2.gz QBORXTDBDVDYLZ-SECBINFHSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]1C1CCCC1 ZINC001609551377 1171018849 /nfs/dbraw/zinc/01/88/49/1171018849.db2.gz BRQOVUNHOLOSIQ-WDEREUQCSA-N -1 1 316.369 0.401 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCN(C2CCC2)CC1 ZINC001609581704 1171029705 /nfs/dbraw/zinc/02/97/05/1171029705.db2.gz DQXQRTTZHFBXKY-UHFFFAOYSA-N -1 1 302.338 0.770 20 0 DCADMM O=C1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]2CCCCN12 ZINC001609586914 1171033515 /nfs/dbraw/zinc/03/35/15/1171033515.db2.gz XDDDHSRXHZBXAI-BDAKNGLRSA-N -1 1 300.326 0.222 20 0 DCADMM O=C1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]2CCCCN12 ZINC001609586914 1171033521 /nfs/dbraw/zinc/03/35/21/1171033521.db2.gz XDDDHSRXHZBXAI-BDAKNGLRSA-N -1 1 300.326 0.222 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CN1CC[C@H](F)C1)CCC2 ZINC001609604162 1171040718 /nfs/dbraw/zinc/04/07/18/1171040718.db2.gz XPNRCFIFGBWJJT-JTQLQIEISA-N -1 1 304.329 0.518 20 0 DCADMM c1sc(CN2CCOC[C@@H]2[C@@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001609620653 1171051078 /nfs/dbraw/zinc/05/10/78/1171051078.db2.gz RVUKLOYPCKRBDH-MNOVXSKESA-N -1 1 322.394 0.703 20 0 DCADMM c1sc(CN2CCOC[C@@H]2[C@@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001609620653 1171051083 /nfs/dbraw/zinc/05/10/83/1171051083.db2.gz RVUKLOYPCKRBDH-MNOVXSKESA-N -1 1 322.394 0.703 20 0 DCADMM c1cncc(CN2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001609619671 1171051893 /nfs/dbraw/zinc/05/18/93/1171051893.db2.gz YWOPSOBZSYPKFV-UHFFFAOYSA-N -1 1 323.364 0.374 20 0 DCADMM C[C@H](C(=O)[O-])[C@H](NC(=O)C[C@@H]1COCCN1)c1ccccc1 ZINC001609638301 1171058713 /nfs/dbraw/zinc/05/87/13/1171058713.db2.gz CZLLDTOIEVUVEQ-LNSITVRQSA-N -1 1 306.362 0.943 20 0 DCADMM CC(C)(C)OC(=O)C(=O)N1CCN(CC2(C(=O)[O-])CC2)CC1 ZINC001609659024 1171062151 /nfs/dbraw/zinc/06/21/51/1171062151.db2.gz WKUZDRNLGQCHIJ-UHFFFAOYSA-N -1 1 312.366 0.337 20 0 DCADMM CC(C)C[C@@H](NC(=O)CN1CC[C@H](C(=O)N(C)C)C1)C(=O)[O-] ZINC001609693244 1171067227 /nfs/dbraw/zinc/06/72/27/1171067227.db2.gz CPHJGYHTUCRPQV-NWDGAFQWSA-N -1 1 313.398 0.012 20 0 DCADMM CC(C)c1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])nn1C ZINC001609718882 1171074419 /nfs/dbraw/zinc/07/44/19/1171074419.db2.gz NSSXFMFOQFKIIY-NSHDSACASA-N -1 1 305.338 0.692 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1c[nH]c(C2CC2)n1 ZINC001609871475 1171109483 /nfs/dbraw/zinc/10/94/83/1171109483.db2.gz OPFJPSKAUBNSGA-JTQLQIEISA-N -1 1 306.366 0.908 20 0 DCADMM CCCCOCCNC(=O)C[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC001609970285 1171128641 /nfs/dbraw/zinc/12/86/41/1171128641.db2.gz IMGZHTMLFOBBGW-LBPRGKRZSA-N -1 1 318.439 0.669 20 0 DCADMM CCCCOCCNC(=O)CN1CCSC[C@@H](C(=O)[O-])C1 ZINC001609970285 1171128646 /nfs/dbraw/zinc/12/86/46/1171128646.db2.gz IMGZHTMLFOBBGW-LBPRGKRZSA-N -1 1 318.439 0.669 20 0 DCADMM CCN1CCCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC001610006797 1171136912 /nfs/dbraw/zinc/13/69/12/1171136912.db2.gz FTOYSAIUFRHYII-QWHCGFSZSA-N -1 1 318.439 0.987 20 0 DCADMM CN(C)Cc1cc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)no1 ZINC001610102063 1171157890 /nfs/dbraw/zinc/15/78/90/1171157890.db2.gz XLTCJGFDEPFEMM-UHFFFAOYSA-N -1 1 324.381 0.357 20 0 DCADMM CN(Cc1ccc(OCC(=O)[O-])cc1)[C@H]1CCC(=O)NC1=O ZINC001610123993 1171163842 /nfs/dbraw/zinc/16/38/42/1171163842.db2.gz KHOPMNBRAGUPSJ-LBPRGKRZSA-N -1 1 306.318 0.387 20 0 DCADMM CN1C[C@H](CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)OC1=O ZINC001610133136 1171168699 /nfs/dbraw/zinc/16/86/99/1171168699.db2.gz HNLAPURBDZAYON-NXEZZACHSA-N -1 1 309.326 0.064 20 0 DCADMM COC(=O)CCNC(=O)CN[C@@H](C(=O)[O-])C1CCCCC1 ZINC001610183330 1171190164 /nfs/dbraw/zinc/19/01/64/1171190164.db2.gz PDPVRMHKCNOHJF-CYBMUJFWSA-N -1 1 300.355 0.289 20 0 DCADMM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc2cncn2c1 ZINC001610194305 1171193804 /nfs/dbraw/zinc/19/38/04/1171193804.db2.gz WGLNSKQOIUSNLB-LLVKDONJSA-N -1 1 305.290 0.471 20 0 DCADMM COC(=O)c1cc(C)nc(N2CCN(CCC(=O)[O-])C[C@H]2C)n1 ZINC001610196015 1171195140 /nfs/dbraw/zinc/19/51/40/1171195140.db2.gz BCPBEUOOKQLCNV-LLVKDONJSA-N -1 1 322.365 0.557 20 0 DCADMM COCCN(CCC(=O)[O-])C(=O)c1ccn(-c2ccncc2)n1 ZINC001610259643 1171211333 /nfs/dbraw/zinc/21/13/33/1171211333.db2.gz MHEBJLQTIYWQRZ-UHFFFAOYSA-N -1 1 318.333 0.831 20 0 DCADMM COCCn1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)n1 ZINC001610267673 1171213763 /nfs/dbraw/zinc/21/37/63/1171213763.db2.gz QCOJDYJFCLICLQ-LBPRGKRZSA-N -1 1 324.381 0.151 20 0 DCADMM CO[C@@H]1CCC[C@H]1NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610275359 1171215261 /nfs/dbraw/zinc/21/52/61/1171215261.db2.gz NHUCXGRGLCNGTQ-YNEHKIRRSA-N -1 1 313.398 0.744 20 0 DCADMM COc1ccc(CCNC(=O)CNC(C)(C)C(=O)[O-])cc1OC ZINC001610330419 1171220728 /nfs/dbraw/zinc/22/07/28/1171220728.db2.gz 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/nfs/dbraw/zinc/39/57/30/752395730.db2.gz HGKDPNHIVBKXNF-ZBEGNZNMSA-N -1 1 319.409 0.331 20 0 DCADMM Cc1nnsc1C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044920989 752934490 /nfs/dbraw/zinc/93/44/90/752934490.db2.gz GTUJDVVHFBWHHU-QMMMGPOBSA-N -1 1 323.382 0.065 20 0 DCADMM Cc1cccc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)n1 ZINC001044931589 752939479 /nfs/dbraw/zinc/93/94/79/752939479.db2.gz CRSAHSAJVHPOOB-NSHDSACASA-N -1 1 316.365 0.608 20 0 DCADMM O=C([C@@H]1C[C@H]1C1CC1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045235297 753103464 /nfs/dbraw/zinc/10/34/64/753103464.db2.gz LZLBGMHEOUGIAZ-SDDRHHMPSA-N -1 1 305.382 0.637 20 0 DCADMM Cc1nccc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)n1 ZINC001045314788 753142807 /nfs/dbraw/zinc/14/28/07/753142807.db2.gz NFNHZDNLGNWMPN-JTQLQIEISA-N -1 1 317.353 0.003 20 0 DCADMM Cn1[n-]c(CN2CCC(C)(NC(=O)C3CCC3)CC2)nc1=O ZINC001045343423 753153725 /nfs/dbraw/zinc/15/37/25/753153725.db2.gz MWPUQXKHJZGDBN-UHFFFAOYSA-N -1 1 307.398 0.379 20 0 DCADMM O=C(N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2)c1ccoc1 ZINC001078554296 753290787 /nfs/dbraw/zinc/29/07/87/753290787.db2.gz RSHWSBDEYBOLJU-QWRGUYRKSA-N -1 1 317.349 0.934 20 0 DCADMM C/C=C(\C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1 ZINC001045747772 753317372 /nfs/dbraw/zinc/31/73/72/753317372.db2.gz RTSDOWSPOFEZTE-VVBALGDRSA-N -1 1 319.409 0.640 20 0 DCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2)c1cocn1 ZINC001047038344 754071042 /nfs/dbraw/zinc/07/10/42/754071042.db2.gz UOMBUPXXVGXHTE-AEJSXWLSSA-N -1 1 318.337 0.281 20 0 DCADMM O=C(NC[C@@H]1CCN(c2cc(F)ncn2)C1)c1ncccc1[O-] ZINC001061586810 754108116 /nfs/dbraw/zinc/10/81/16/754108116.db2.gz ZRXVCRDTHDPAFE-JTQLQIEISA-N -1 1 317.324 0.973 20 0 DCADMM Cc1[nH]nc(C(=O)N2CCC[C@H]2CNCc2nccn2C)c1[O-] ZINC001044998828 754259430 /nfs/dbraw/zinc/25/94/30/754259430.db2.gz PSXBNAWOFMPODV-NSHDSACASA-N -1 1 318.381 0.552 20 0 DCADMM CSCC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001062472525 754756068 /nfs/dbraw/zinc/75/60/68/754756068.db2.gz CQQUZCYUPSKCJP-UHFFFAOYSA-N -1 1 309.391 0.919 20 0 DCADMM O=C(NCC1(NC(=O)c2ncccc2[O-])CCC1)c1cn[nH]c1 ZINC001062619670 754823245 /nfs/dbraw/zinc/82/32/45/754823245.db2.gz ZJFDNYKLQZGNJX-UHFFFAOYSA-N -1 1 315.333 0.593 20 0 DCADMM COc1ccnc(N(C)[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001113575373 762402549 /nfs/dbraw/zinc/40/25/49/762402549.db2.gz UFFZZJHEHDBTPL-SNVBAGLBSA-N -1 1 317.349 0.841 20 0 DCADMM C[C@@H]1CN(Cc2nncn2C)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079611085 755923837 /nfs/dbraw/zinc/92/38/37/755923837.db2.gz MQSKDSGMXZPWJO-GHMZBOCLSA-N -1 1 316.365 0.166 20 0 DCADMM C[C@@H]1CN(Cc2cnon2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079611002 755924256 /nfs/dbraw/zinc/92/42/56/755924256.db2.gz JQYYUVKSFOYKIJ-MWLCHTKSSA-N -1 1 303.322 0.421 20 0 DCADMM C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079611136 755924475 /nfs/dbraw/zinc/92/44/75/755924475.db2.gz PIBVCABVPZCJAC-UTUOFQBUSA-N -1 1 318.377 0.116 20 0 DCADMM C[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054329463 756439683 /nfs/dbraw/zinc/43/96/83/756439683.db2.gz RUBIHMPFJGFGSR-ONGXEEELSA-N -1 1 302.338 0.156 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054340902 756442596 /nfs/dbraw/zinc/44/25/96/756442596.db2.gz KAHGUWFJMBJPKF-ZYHUDNBSSA-N -1 1 301.350 0.761 20 0 DCADMM Cc1noc(CN[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001054591954 756556972 /nfs/dbraw/zinc/55/69/72/756556972.db2.gz WWYCKICHJMEZEC-MWLCHTKSSA-N -1 1 317.349 0.729 20 0 DCADMM COCCCOCCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001118920714 757181405 /nfs/dbraw/zinc/18/14/05/757181405.db2.gz TZGLADPILCRLQO-ZDUSSCGKSA-N -1 1 316.398 0.437 20 0 DCADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082754926 757258109 /nfs/dbraw/zinc/25/81/09/757258109.db2.gz FKUQFAKGMSBWFZ-OOCWMUITSA-N -1 1 321.381 0.014 20 0 DCADMM C[C@H](C(=O)N(CCO)CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001057283483 757452609 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760995501 /nfs/dbraw/zinc/99/55/01/760995501.db2.gz JDDRMJAZFZKDSF-UHFFFAOYSA-N -1 1 321.377 0.983 20 0 DCADMM C[C@H](CN(C)c1cc(F)ncn1)NC(=O)c1ncccc1[O-] ZINC001108946724 761165097 /nfs/dbraw/zinc/16/50/97/761165097.db2.gz RMEUWQRDDUYTRS-SECBINFHSA-N -1 1 305.313 0.971 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)c1Cl ZINC000691453062 761357209 /nfs/dbraw/zinc/35/72/09/761357209.db2.gz HQFRVAOWKKBCCQ-DTWKUNHWSA-N -1 1 305.787 0.919 20 0 DCADMM CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001070648662 761374524 /nfs/dbraw/zinc/37/45/24/761374524.db2.gz RYTHTCRQBGZCCX-NWDGAFQWSA-N -1 1 321.377 0.933 20 0 DCADMM CN1CCCC[C@H](C(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)C1=O ZINC001123999524 768092998 /nfs/dbraw/zinc/09/29/98/768092998.db2.gz WPYDKDSENGWLTE-NEPJUHHUSA-N -1 1 320.397 0.239 20 0 DCADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)c1ccc(-c2ccco2)o1 ZINC001131151012 763673466 /nfs/dbraw/zinc/67/34/66/763673466.db2.gz NNMXGIFQXBJILX-UHFFFAOYSA-N -1 1 317.305 0.883 20 0 DCADMM 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20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1C[C@@H](C)CO1 ZINC001449353086 1014432927 /nfs/dbraw/zinc/43/29/27/1014432927.db2.gz SWBOICMKFAAZMI-DGCLKSJQSA-N -1 1 321.377 0.791 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC001592418510 978024780 /nfs/dbraw/zinc/02/47/80/978024780.db2.gz QHKPUDBHHXRVPY-GFCCVEGCSA-N -1 1 316.361 0.955 20 0 DCADMM Cn1cc(O[C@@H]2C[N@@H+](Cc3cccc(C(=O)[O-])c3)C[C@@H]2O)cn1 ZINC001549923293 1014492138 /nfs/dbraw/zinc/49/21/38/1014492138.db2.gz WHYVDTOKLNVVMF-LSDHHAIUSA-N -1 1 317.345 0.742 20 0 DCADMM Cn1cc(O[C@@H]2CN(Cc3cccc(C(=O)[O-])c3)C[C@@H]2O)cn1 ZINC001549923293 1014492145 /nfs/dbraw/zinc/49/21/45/1014492145.db2.gz WHYVDTOKLNVVMF-LSDHHAIUSA-N -1 1 317.345 0.742 20 0 DCADMM C[C@H](CN(C)C(=O)c1ccc(C=CC(=O)[O-])o1)c1nn[nH]n1 ZINC001592579381 978488268 /nfs/dbraw/zinc/48/82/68/978488268.db2.gz FNLPMPLODOPPLD-RZAAKKIOSA-N -1 1 305.294 0.766 20 0 DCADMM C[C@@H](CN1CCOCC1)C(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC001592625055 978603112 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DCADMM CC[C@H](C(=O)OC)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001594774543 981753034 /nfs/dbraw/zinc/75/30/34/981753034.db2.gz HHPCHLNEWJJJCX-MNOVXSKESA-N -1 1 300.355 0.193 20 0 DCADMM CC[C@@H](C)[C@@](C)(O)CNS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594873227 982192947 /nfs/dbraw/zinc/19/29/47/982192947.db2.gz KEPSPGOOABSSDQ-HQJQHLMTSA-N -1 1 306.340 0.448 20 0 DCADMM CO[C@@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2cnncc2[O-])C1 ZINC001550775671 1014860080 /nfs/dbraw/zinc/86/00/80/1014860080.db2.gz YRGKTDXPEUEYDZ-PWSUYJOCSA-N -1 1 320.349 0.034 20 0 DCADMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573648587 983074977 /nfs/dbraw/zinc/07/49/77/983074977.db2.gz HLYAQWFTDMOGMU-FRRDWIJNSA-N -1 1 312.410 0.791 20 0 DCADMM CN1C(=O)CC[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001573882212 983132379 /nfs/dbraw/zinc/13/23/79/983132379.db2.gz AGOMLRKBQMRQLL-VIFPVBQESA-N -1 1 302.290 0.820 20 0 DCADMM O=C([O-])COc1cccc(NC(=O)CCCc2nn[nH]n2)c1 ZINC001574372914 983232313 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DCADMM CCN1CC[C@H]2OCCN(C(=O)c3cc(C(=O)[O-])co3)[C@H]2C1 ZINC001596444516 984145071 /nfs/dbraw/zinc/14/50/71/984145071.db2.gz POVGSEIHVJWYCF-NWDGAFQWSA-N -1 1 308.334 0.913 20 0 DCADMM CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1cn(CC(=O)[O-])nn1 ZINC001596550517 984409175 /nfs/dbraw/zinc/40/91/75/984409175.db2.gz AYBMIWFDSMXDLX-SMDDNHRTSA-N -1 1 310.354 0.574 20 0 DCADMM Cc1cc(C(=O)OCCc2c(C)nc3nc[n-]n3c2=O)n(C)n1 ZINC001524727460 1015046005 /nfs/dbraw/zinc/04/60/05/1015046005.db2.gz LAGQEYUZXYIQKL-UHFFFAOYSA-N -1 1 316.321 0.167 20 0 DCADMM C/C(=C\C(=O)[O-])CN1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC001588949052 984670870 /nfs/dbraw/zinc/67/08/70/984670870.db2.gz OGWHABAIAAUGIT-VNKGSWCUSA-N -1 1 316.365 0.666 20 0 DCADMM CCOC(=O)c1[nH]nc(NC(=O)COCC(=O)[O-])c1C1CC1 ZINC001596695173 984828905 /nfs/dbraw/zinc/82/89/05/984828905.db2.gz YOZRYUPKGRNRGC-UHFFFAOYSA-N -1 1 311.294 0.504 20 0 DCADMM CNC(=O)[C@]12CN(C(=O)c3ccc([O-])c(F)c3)C[C@@H]1COCC2 ZINC001551437379 1015078138 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CCC1(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2O)CC1 ZINC001384832424 985876815 /nfs/dbraw/zinc/87/68/15/985876815.db2.gz PUDWFATXKNJIKW-PWSUYJOCSA-N -1 1 319.361 0.279 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1cncn1C ZINC001594519353 985951212 /nfs/dbraw/zinc/95/12/12/985951212.db2.gz SKOMCLBXCLKNEF-LLVKDONJSA-N -1 1 309.370 0.111 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC001594519485 985956496 /nfs/dbraw/zinc/95/64/96/985956496.db2.gz WRSYGIRIDVTONS-AVGNSLFASA-N -1 1 313.398 0.480 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cnn(C)c1C1CC1 ZINC001594522274 986003181 /nfs/dbraw/zinc/00/31/81/986003181.db2.gz OHQGQXYOIABZES-LLVKDONJSA-N -1 1 320.393 0.919 20 0 DCADMM CC[C@@H](CNC(=O)Cc1c[nH]cn1)NC(=O)c1ncccc1[O-] ZINC001531518516 1015186217 /nfs/dbraw/zinc/18/62/17/1015186217.db2.gz MCECIMMGNWVIAX-JTQLQIEISA-N -1 1 317.349 0.378 20 0 DCADMM C[C@H](C(=O)N(C)C1CCCCC1)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001589336078 986216965 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C[C@@H](C(=O)NCC(=O)[O-])N1CC[C@](CO)(c2ccccc2)C1 ZINC001589396152 986518415 /nfs/dbraw/zinc/51/84/15/986518415.db2.gz BAONMDABADRZAB-LRDDRELGSA-N -1 1 306.362 0.212 20 0 DCADMM CC[C@H](OC)C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001385705099 986534664 /nfs/dbraw/zinc/53/46/64/986534664.db2.gz QDKRAZIELQRKFE-YPMHNXCESA-N -1 1 321.377 0.837 20 0 DCADMM C[C@H](C(=O)NCc1ccccc1)N1CCC(O)(C(=O)[O-])CC1 ZINC001589415242 986643248 /nfs/dbraw/zinc/64/32/48/986643248.db2.gz LCQKKWONVNUVIF-GFCCVEGCSA-N -1 1 306.362 0.603 20 0 DCADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001594623687 986677590 /nfs/dbraw/zinc/67/75/90/986677590.db2.gz HTCSGCDRBGIXHH-DMWPJOQESA-N -1 1 307.350 0.776 20 0 DCADMM CO[C@@H](C)CC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001386057914 986785972 /nfs/dbraw/zinc/78/59/72/986785972.db2.gz YAOAFZVTWKQIQV-QWRGUYRKSA-N -1 1 307.350 0.543 20 0 DCADMM CC[C@@H](C)OCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001386057215 986787090 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CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1CNCCO1)c1ccccc1 ZINC001589592094 987399737 /nfs/dbraw/zinc/39/97/37/987399737.db2.gz PVPCGCVZXIPIGY-QWHCGFSZSA-N -1 1 306.362 0.943 20 0 DCADMM COCCC1(C(=O)N(C)CCNC(=O)c2ncccc2[O-])CC1 ZINC001386852495 987453620 /nfs/dbraw/zinc/45/36/20/987453620.db2.gz OXRMFZWTGJHUGZ-UHFFFAOYSA-N -1 1 321.377 0.792 20 0 DCADMM CO[C@@H](C)C(=O)N(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001450705660 1015309843 /nfs/dbraw/zinc/30/98/43/1015309843.db2.gz QDWMKYLFMGZEAY-NSHDSACASA-N -1 1 321.377 0.885 20 0 DCADMM CCc1[nH]c(C(=O)NC[C@@H](O)c2cnc[nH]2)c(C)c1C(=O)[O-] ZINC001597366202 987535700 /nfs/dbraw/zinc/53/57/00/987535700.db2.gz BCUBBJXLXZCDAO-SNVBAGLBSA-N -1 1 306.322 0.770 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H](OC)C1CC1 ZINC001387180912 987686158 /nfs/dbraw/zinc/68/61/58/987686158.db2.gz PKCTVQSKPWANOY-CQSZACIVSA-N -1 1 321.377 0.791 20 0 DCADMM CO[C@@H]1C[C@H](c2n[nH]c(C)n2)N(C(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC001552211149 1015331211 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CCCOCC(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001527096685 1015392892 /nfs/dbraw/zinc/39/28/92/1015392892.db2.gz GVMNZPRZKRWODI-GFCCVEGCSA-N -1 1 321.377 0.792 20 0 DCADMM CO[C@H](C)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001532685616 1015390240 /nfs/dbraw/zinc/39/02/40/1015390240.db2.gz KRRFOCJJVLJIRP-MNOVXSKESA-N -1 1 309.366 0.693 20 0 DCADMM CSc1ccnc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001599826833 988610643 /nfs/dbraw/zinc/61/06/43/988610643.db2.gz ZJSOWTGHXSPZCM-CQSZACIVSA-N -1 1 324.406 0.564 20 0 DCADMM CCc1nc([C@@H](C)NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001597656022 988705544 /nfs/dbraw/zinc/70/55/44/988705544.db2.gz IWDVOOPIHUYIQS-PRJMDXOYSA-N -1 1 302.356 0.211 20 0 DCADMM C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC001599844642 988912184 /nfs/dbraw/zinc/91/21/84/988912184.db2.gz SFLPDUGYNCMUGM-BNOWGMLFSA-N -1 1 306.362 0.601 20 0 DCADMM CCc1nccc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001597702573 988929804 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CCCC[C@H](C(N)=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001389466114 989293933 /nfs/dbraw/zinc/29/39/33/989293933.db2.gz SNGDOOCGRWWTOH-NWDGAFQWSA-N -1 1 320.393 0.635 20 0 DCADMM COCC1(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)CCC1 ZINC001389622096 989438679 /nfs/dbraw/zinc/43/86/79/989438679.db2.gz FTZVGPPIUYQBQR-NSHDSACASA-N -1 1 323.397 0.311 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN(C(=O)CCCF)C1 ZINC001389710585 989508951 /nfs/dbraw/zinc/50/89/51/989508951.db2.gz BTNJUMPOBKOZIF-NSHDSACASA-N -1 1 313.377 0.930 20 0 DCADMM CC(C)[C@@H](O)C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001389823058 989612346 /nfs/dbraw/zinc/61/23/46/989612346.db2.gz KXQCXWOLDFFAJQ-GFCCVEGCSA-N -1 1 307.350 0.183 20 0 DCADMM O=C(NCC1(NC(=O)[C@H]2CC2(F)F)CC1)c1ncccc1[O-] ZINC001389823613 989612353 /nfs/dbraw/zinc/61/23/53/989612353.db2.gz MBJRBFKOHOEPAX-MRVPVSSYSA-N -1 1 311.288 0.821 20 0 DCADMM CCn1ncc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)n1 ZINC001597957174 989969287 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CCC(=O)NC[C@@H](NCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC001391234739 990689649 /nfs/dbraw/zinc/68/96/49/990689649.db2.gz TVGRXGSGQJDBBI-GFCCVEGCSA-N -1 1 303.366 0.466 20 0 DCADMM CN(C)C1(C(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC001598176289 990727435 /nfs/dbraw/zinc/72/74/35/990727435.db2.gz MIYMTWBDRRWUPU-LBPRGKRZSA-N -1 1 306.362 0.846 20 0 DCADMM O=C(CCC(F)F)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391308266 990736609 /nfs/dbraw/zinc/73/66/09/990736609.db2.gz KCBDIVDWLVZXCO-SECBINFHSA-N -1 1 317.340 0.884 20 0 DCADMM CC(C)(NS(=O)(=O)c1cc(C(=O)[O-])no1)[C@@H]1CCCCO1 ZINC001590879293 990792483 /nfs/dbraw/zinc/79/24/83/990792483.db2.gz VHIGQESRHNQPSF-VIFPVBQESA-N -1 1 318.351 0.999 20 0 DCADMM CN(C)C[C@@H]1CCCN1S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001598207624 990842511 /nfs/dbraw/zinc/84/25/11/990842511.db2.gz HCJZERNLHUDIQZ-YNEHKIRRSA-N -1 1 318.439 0.986 20 0 DCADMM COc1cccc([C@H](NS(=O)(=O)c2ncc[nH]2)C(=O)[O-])c1 ZINC001599687693 991012905 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O=C(NC[C@@H]1CSCCS1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823183531 606689908 /nfs/dbraw/zinc/68/99/08/606689908.db2.gz ZACNOOPXSXMOFD-SECBINFHSA-N -1 1 322.419 0.840 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1c(F)cccc1F ZINC000822904167 606695214 /nfs/dbraw/zinc/69/52/14/606695214.db2.gz TUXHNGGOOPXJOV-UHFFFAOYSA-N -1 1 305.248 0.807 20 0 DCADMM CC[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820989283 606744474 /nfs/dbraw/zinc/74/44/74/606744474.db2.gz PUFAIDILXFXGOS-SECBINFHSA-N -1 1 308.367 0.682 20 0 DCADMM CC[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820989283 606744472 /nfs/dbraw/zinc/74/44/72/606744472.db2.gz PUFAIDILXFXGOS-SECBINFHSA-N -1 1 308.367 0.682 20 0 DCADMM c1cncc(O[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC000823815988 606791198 /nfs/dbraw/zinc/79/11/98/606791198.db2.gz NEBDFGFKVOEUHO-LLVKDONJSA-N -1 1 310.321 0.709 20 0 DCADMM c1cncc(O[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC000823815988 606791200 /nfs/dbraw/zinc/79/12/00/606791200.db2.gz NEBDFGFKVOEUHO-LLVKDONJSA-N -1 1 310.321 0.709 20 0 DCADMM O=C(NCC1(CO)CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823171307 606826376 /nfs/dbraw/zinc/82/63/76/606826376.db2.gz UIMIRSSAKYHLLL-UHFFFAOYSA-N -1 1 316.365 0.934 20 0 DCADMM O=C(NCC1(CO)CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823171307 606826375 /nfs/dbraw/zinc/82/63/75/606826375.db2.gz UIMIRSSAKYHLLL-UHFFFAOYSA-N -1 1 316.365 0.934 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C/C=C\Cl ZINC000820789280 606853715 /nfs/dbraw/zinc/85/37/15/606853715.db2.gz ZQBANMKALWYGLC-ZMWSMAPVSA-N -1 1 320.788 0.920 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C/C=C\Cl ZINC000820789280 606853716 /nfs/dbraw/zinc/85/37/16/606853716.db2.gz ZQBANMKALWYGLC-ZMWSMAPVSA-N -1 1 320.788 0.920 20 0 DCADMM C[C@H]1OCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC000820818696 607004662 /nfs/dbraw/zinc/00/46/62/607004662.db2.gz APLGEDHTBQCNMG-DTWKUNHWSA-N -1 1 324.366 0.060 20 0 DCADMM C[C@H]1OCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC000820818696 607004663 /nfs/dbraw/zinc/00/46/63/607004663.db2.gz APLGEDHTBQCNMG-DTWKUNHWSA-N -1 1 324.366 0.060 20 0 DCADMM O=C(CN1CCCCC1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822998115 607109112 /nfs/dbraw/zinc/10/91/12/607109112.db2.gz ZEZNWFAEPCRHFF-UHFFFAOYSA-N -1 1 307.339 0.274 20 0 DCADMM O=C(CN1CCCCC1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822998115 607109114 /nfs/dbraw/zinc/10/91/14/607109114.db2.gz ZEZNWFAEPCRHFF-UHFFFAOYSA-N -1 1 307.339 0.274 20 0 DCADMM O=C(C[C@H]1COC(=O)C1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822945745 607159167 /nfs/dbraw/zinc/15/91/67/607159167.db2.gz PMJILYLRKZOWEG-SSDOTTSWSA-N -1 1 303.278 0.464 20 0 DCADMM CCNc1nc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cs1 ZINC000821308427 607194026 /nfs/dbraw/zinc/19/40/26/607194026.db2.gz AFJDHQYUEZGKIA-UHFFFAOYSA-N -1 1 305.327 0.222 20 0 DCADMM C[C@@H]1CCCC[C@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820697692 607210025 /nfs/dbraw/zinc/21/00/25/607210025.db2.gz KNNZYSMIPFVLCP-ZJUUUORDSA-N -1 1 304.358 0.401 20 0 DCADMM C[C@H](c1ccccn1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820571450 607211124 /nfs/dbraw/zinc/21/11/24/607211124.db2.gz YSJZSHJXUODCDK-SECBINFHSA-N -1 1 313.325 0.073 20 0 DCADMM C[C@@H]1CC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC000820690155 607216678 /nfs/dbraw/zinc/21/66/78/607216678.db2.gz HEUURUVKAKXFEL-UTLUCORTSA-N -1 1 304.358 0.399 20 0 DCADMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820633794 607219286 /nfs/dbraw/zinc/21/92/86/607219286.db2.gz DQBIRSVSXSAQQF-IAQYHMDHSA-N -1 1 324.348 0.305 20 0 DCADMM CC(C)C[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820067467 607223424 /nfs/dbraw/zinc/22/34/24/607223424.db2.gz IVNHXBWVJUAMPS-LLVKDONJSA-N -1 1 318.385 0.743 20 0 DCADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC(=O)NC1CC1 ZINC000826418732 607866476 /nfs/dbraw/zinc/86/64/76/607866476.db2.gz UGNUJRPRMCURJX-UHFFFAOYSA-N -1 1 320.284 0.373 20 0 DCADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC(=O)NC1CC1 ZINC000826418732 607866477 /nfs/dbraw/zinc/86/64/77/607866477.db2.gz UGNUJRPRMCURJX-UHFFFAOYSA-N -1 1 320.284 0.373 20 0 DCADMM CC(C)(C)S(=O)(=O)CCNc1cccc(-c2nn[n-]n2)n1 ZINC000824124561 607899478 /nfs/dbraw/zinc/89/94/78/607899478.db2.gz VPABZTAYQDEVNE-UHFFFAOYSA-N -1 1 310.383 0.887 20 0 DCADMM CC(C)(C)S(=O)(=O)CCNc1cccc(-c2nnn[n-]2)n1 ZINC000824124561 607899477 /nfs/dbraw/zinc/89/94/77/607899477.db2.gz VPABZTAYQDEVNE-UHFFFAOYSA-N -1 1 310.383 0.887 20 0 DCADMM NC(=O)C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC000826391079 607934592 /nfs/dbraw/zinc/93/45/92/607934592.db2.gz WJHCPRWULVAEON-LLVKDONJSA-N -1 1 317.353 0.344 20 0 DCADMM NC(=O)C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC000826391079 607934593 /nfs/dbraw/zinc/93/45/93/607934593.db2.gz WJHCPRWULVAEON-LLVKDONJSA-N -1 1 317.353 0.344 20 0 DCADMM c1csc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC000826526603 607989050 /nfs/dbraw/zinc/98/90/50/607989050.db2.gz FBYAVCFCSSPIBA-UHFFFAOYSA-N -1 1 315.366 0.440 20 0 DCADMM c1csc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC000826526603 607989051 /nfs/dbraw/zinc/98/90/51/607989051.db2.gz FBYAVCFCSSPIBA-UHFFFAOYSA-N -1 1 315.366 0.440 20 0 DCADMM CC(C)(C)c1cc(NC(=O)Cn2ccnc2-c2nnn[n-]2)on1 ZINC000824130909 608012540 /nfs/dbraw/zinc/01/25/40/608012540.db2.gz RWYFMAMVBMAAIJ-UHFFFAOYSA-N -1 1 316.325 0.987 20 0 DCADMM CC(C)(C)c1cc(NC(=O)Cn2ccnc2-c2nn[n-]n2)on1 ZINC000824130909 608012541 /nfs/dbraw/zinc/01/25/41/608012541.db2.gz RWYFMAMVBMAAIJ-UHFFFAOYSA-N -1 1 316.325 0.987 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(C/C(Cl)=C/Cl)c1=O ZINC000826356244 608096537 /nfs/dbraw/zinc/09/65/37/608096537.db2.gz IBJPYKABUXYJFA-DJWKRKHSSA-N -1 1 303.109 0.046 20 0 DCADMM C[C@@]1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO[C@H]1C1CC1 ZINC000824833078 608140565 /nfs/dbraw/zinc/14/05/65/608140565.db2.gz XADCYOCCQZBEHG-SWLSCSKDSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@@]1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO[C@H]1C1CC1 ZINC000824833078 608140566 /nfs/dbraw/zinc/14/05/66/608140566.db2.gz XADCYOCCQZBEHG-SWLSCSKDSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1nc2c(s1)CCC2 ZINC000826424839 608147571 /nfs/dbraw/zinc/14/75/71/608147571.db2.gz FTBQNFAONFGYNS-UHFFFAOYSA-N -1 1 316.350 0.647 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1nc2c(s1)CCC2 ZINC000826424839 608147573 /nfs/dbraw/zinc/14/75/73/608147573.db2.gz FTBQNFAONFGYNS-UHFFFAOYSA-N -1 1 316.350 0.647 20 0 DCADMM CCCN(CC(=O)NC)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825307511 608185418 /nfs/dbraw/zinc/18/54/18/608185418.db2.gz CFCHWVIMDMTLNZ-UHFFFAOYSA-N -1 1 315.790 0.939 20 0 DCADMM CCCN(CC(=O)NC)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825307511 608185419 /nfs/dbraw/zinc/18/54/19/608185419.db2.gz CFCHWVIMDMTLNZ-UHFFFAOYSA-N -1 1 315.790 0.939 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC000826524921 608198708 /nfs/dbraw/zinc/19/87/08/608198708.db2.gz OPGLHTGOPGLTNW-ZANVPECISA-N -1 1 303.326 0.407 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC000826524921 608198710 /nfs/dbraw/zinc/19/87/10/608198710.db2.gz OPGLHTGOPGLTNW-ZANVPECISA-N -1 1 303.326 0.407 20 0 DCADMM CC/C=C(/C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825220867 608212492 /nfs/dbraw/zinc/21/24/92/608212492.db2.gz XDFUJZYBBOFVOU-TWGQIWQCSA-N -1 1 318.385 0.919 20 0 DCADMM CC/C=C(/C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825220867 608212493 /nfs/dbraw/zinc/21/24/93/608212493.db2.gz XDFUJZYBBOFVOU-TWGQIWQCSA-N -1 1 318.385 0.919 20 0 DCADMM COCCCOCCN(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826156605 608336237 /nfs/dbraw/zinc/33/62/37/608336237.db2.gz LTTLQTVFJLOPMU-UHFFFAOYSA-N -1 1 320.353 0.387 20 0 DCADMM COCCCOCCN(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826156605 608336239 /nfs/dbraw/zinc/33/62/39/608336239.db2.gz LTTLQTVFJLOPMU-UHFFFAOYSA-N -1 1 320.353 0.387 20 0 DCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC2CC2)n1 ZINC000824142826 608338604 /nfs/dbraw/zinc/33/86/04/608338604.db2.gz WOZODJRAZAOSDZ-UHFFFAOYSA-N -1 1 318.341 0.035 20 0 DCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC2CC2)n1 ZINC000824142826 608338605 /nfs/dbraw/zinc/33/86/05/608338605.db2.gz WOZODJRAZAOSDZ-UHFFFAOYSA-N -1 1 318.341 0.035 20 0 DCADMM Cc1ccn2ncc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c2c1 ZINC000826308885 608340803 /nfs/dbraw/zinc/34/08/03/608340803.db2.gz UHOSKOVEOTXZLV-UHFFFAOYSA-N -1 1 309.293 0.290 20 0 DCADMM Cn1c2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2oc1=O ZINC000826354801 608412782 /nfs/dbraw/zinc/41/27/82/608412782.db2.gz VPPYTMLKACABBB-UHFFFAOYSA-N -1 1 310.277 0.845 20 0 DCADMM Cn1c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2oc1=O ZINC000826354801 608412784 /nfs/dbraw/zinc/41/27/84/608412784.db2.gz VPPYTMLKACABBB-UHFFFAOYSA-N -1 1 310.277 0.845 20 0 DCADMM c1nn(-c2ccccn2)cc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826519510 608422413 /nfs/dbraw/zinc/42/24/13/608422413.db2.gz BHJZEHBUMLTUBD-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1nn(-c2ccccn2)cc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826519510 608422415 /nfs/dbraw/zinc/42/24/15/608422415.db2.gz BHJZEHBUMLTUBD-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1cc(CO[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)ccn1 ZINC000826516634 608436290 /nfs/dbraw/zinc/43/62/90/608436290.db2.gz UCLMFKVSCXULDF-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM c1cc(CO[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)ccn1 ZINC000826516634 608436291 /nfs/dbraw/zinc/43/62/91/608436291.db2.gz UCLMFKVSCXULDF-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM CO[C@@H]1CC[C@@H]2OCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1 ZINC000826145260 608437568 /nfs/dbraw/zinc/43/75/68/608437568.db2.gz CNGGLULEZXXSPJ-JLLWLGSASA-N -1 1 317.353 0.429 20 0 DCADMM CO[C@@H]1CC[C@@H]2OCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1 ZINC000826145260 608437569 /nfs/dbraw/zinc/43/75/69/608437569.db2.gz CNGGLULEZXXSPJ-JLLWLGSASA-N -1 1 317.353 0.429 20 0 DCADMM OC[C@H](Cc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826507910 608441442 /nfs/dbraw/zinc/44/14/42/608441442.db2.gz YJRFYKBQRMZBOG-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@H](Cc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826507910 608441443 /nfs/dbraw/zinc/44/14/43/608441443.db2.gz YJRFYKBQRMZBOG-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824893967 608472309 /nfs/dbraw/zinc/47/23/09/608472309.db2.gz WEKYRJFSXUZAEH-AYMMMOKOSA-N -1 1 320.357 0.678 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824893967 608472311 /nfs/dbraw/zinc/47/23/11/608472311.db2.gz WEKYRJFSXUZAEH-AYMMMOKOSA-N -1 1 320.357 0.678 20 0 DCADMM CN(CCS(C)(=O)=O)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825946107 608534403 /nfs/dbraw/zinc/53/44/03/608534403.db2.gz IZZXJZVXZLHEOD-UHFFFAOYSA-N -1 1 301.397 0.405 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCCN(C(N)=O)CC1 ZINC000826280762 608544627 /nfs/dbraw/zinc/54/46/27/608544627.db2.gz OQSLDFSSPDGADS-UHFFFAOYSA-N -1 1 302.342 0.161 20 0 DCADMM Cn1cnc(CNc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000826364943 608554346 /nfs/dbraw/zinc/55/43/46/608554346.db2.gz SPQPBQTZNOIVQF-UHFFFAOYSA-N -1 1 308.309 0.551 20 0 DCADMM Cn1cnc(CNc2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC000826364943 608554347 /nfs/dbraw/zinc/55/43/47/608554347.db2.gz SPQPBQTZNOIVQF-UHFFFAOYSA-N -1 1 308.309 0.551 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825029010 608559224 /nfs/dbraw/zinc/55/92/24/608559224.db2.gz LSQKRUDTOPSOIX-YWEYNIOJSA-N -1 1 304.358 0.529 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825029010 608559226 /nfs/dbraw/zinc/55/92/26/608559226.db2.gz LSQKRUDTOPSOIX-YWEYNIOJSA-N -1 1 304.358 0.529 20 0 DCADMM CC[C@@H]1C[C@H](CC(=O)n2ncc(-c3nn[n-]n3)c2N)CCO1 ZINC000825182350 609435377 /nfs/dbraw/zinc/43/53/77/609435377.db2.gz IDYFPNOWKIMHLD-RKDXNWHRSA-N -1 1 305.342 0.881 20 0 DCADMM COC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC000826144961 609573178 /nfs/dbraw/zinc/57/31/78/609573178.db2.gz WQFGECJVKPCURE-UHFFFAOYSA-N -1 1 324.366 0.109 20 0 DCADMM COC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC000826144961 609573180 /nfs/dbraw/zinc/57/31/80/609573180.db2.gz WQFGECJVKPCURE-UHFFFAOYSA-N -1 1 324.366 0.109 20 0 DCADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)c1cnco1 ZINC000978050914 660477277 /nfs/dbraw/zinc/47/72/77/660477277.db2.gz AXCZZQHLVZXOGE-JTQLQIEISA-N -1 1 316.317 0.762 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)nc1=O ZINC001027808462 660762856 /nfs/dbraw/zinc/76/28/56/660762856.db2.gz LEORTUDZJOPLJG-NMKXLXIOSA-N -1 1 319.409 0.235 20 0 DCADMM Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2nc(=O)n(C)[n-]2)co1 ZINC001027847964 660832637 /nfs/dbraw/zinc/83/26/37/660832637.db2.gz PKPMTYCUZITUHO-LBPRGKRZSA-N -1 1 319.365 0.404 20 0 DCADMM CC[C@H](C(N)=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000981026328 661067106 /nfs/dbraw/zinc/06/71/06/661067106.db2.gz AINBSAOQJLEIGX-LLVKDONJSA-N -1 1 306.366 0.199 20 0 DCADMM Cn1cc(S(=O)(=O)[N-][C@]23C[C@H]2COC3)c(C(F)(F)F)n1 ZINC000885490535 667678404 /nfs/dbraw/zinc/67/84/04/667678404.db2.gz AFRKAKBZEKYZOM-RCOVLWMOSA-N -1 1 311.285 0.506 20 0 DCADMM O=C1C[C@H](CC[N-]S(=O)(=O)c2ccc(F)nc2F)CN1 ZINC000921648547 665436103 /nfs/dbraw/zinc/43/61/03/665436103.db2.gz DWRUDZOKHZTAQF-ZETCQYMHSA-N -1 1 305.306 0.164 20 0 DCADMM Cc1cc(C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)no1 ZINC000998473633 665462957 /nfs/dbraw/zinc/46/29/57/665462957.db2.gz HISHIIIBGMUOSB-SECBINFHSA-N -1 1 306.326 0.201 20 0 DCADMM C[C@@]1(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)CCCOC1 ZINC000998477800 665464240 /nfs/dbraw/zinc/46/42/40/665464240.db2.gz CBVSKJMLSDBHLP-MRXNPFEDSA-N -1 1 319.361 0.545 20 0 DCADMM Cn1ncc(S(=O)(=O)[N-]C[C@H](O)C2CC2)c1C(F)(F)F ZINC000866840499 657466526 /nfs/dbraw/zinc/46/65/26/657466526.db2.gz HDVGZRITHKZLJW-ZETCQYMHSA-N -1 1 313.301 0.488 20 0 DCADMM CC(C)c1n[nH]cc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000969178135 657530932 /nfs/dbraw/zinc/53/09/32/657530932.db2.gz GHILDLHLDAHALV-SECBINFHSA-N -1 1 319.369 0.361 20 0 DCADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)C(=O)OCC(C)C ZINC000290701954 657582992 /nfs/dbraw/zinc/58/29/92/657582992.db2.gz IRPRYVPGCSFIPR-ZETCQYMHSA-N -1 1 305.356 0.431 20 0 DCADMM C[C@H](CC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)n1cccc1 ZINC000970521666 657599583 /nfs/dbraw/zinc/59/95/83/657599583.db2.gz TWRTWMRXXSDKKG-VXGBXAGGSA-N -1 1 318.381 0.654 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H](CNC(=O)c3ccoc3)C2)nc1=O ZINC001023230728 657628944 /nfs/dbraw/zinc/62/89/44/657628944.db2.gz AWQGZBVBOSDLQW-LLVKDONJSA-N -1 1 319.365 0.343 20 0 DCADMM O=C(CC(F)(F)F)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998684265 665503358 /nfs/dbraw/zinc/50/33/58/665503358.db2.gz JEADKGPQTLELAW-ZETCQYMHSA-N -1 1 307.276 0.543 20 0 DCADMM O=C(CC(F)(F)F)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998684261 665503556 /nfs/dbraw/zinc/50/35/56/665503556.db2.gz JEADKGPQTLELAW-SSDOTTSWSA-N -1 1 307.276 0.543 20 0 DCADMM O=C(NC[C@H]1CCCN(Cc2cnon2)C1)c1ncccc1[O-] ZINC001023328835 657752209 /nfs/dbraw/zinc/75/22/09/657752209.db2.gz UHTWTOQFENOPES-LLVKDONJSA-N -1 1 317.349 0.812 20 0 DCADMM CCn1c(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)n[n-]c1=S ZINC000067076276 657862438 /nfs/dbraw/zinc/86/24/38/657862438.db2.gz JKVWDRMDXAYJQM-VIFPVBQESA-N -1 1 323.422 0.630 20 0 DCADMM C[C@H](NC(=O)C1=CCCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969491009 657924688 /nfs/dbraw/zinc/92/46/88/657924688.db2.gz YGKAPOOTEUAGGV-JTQLQIEISA-N -1 1 305.382 0.155 20 0 DCADMM C[C@H](C(=O)N(C)C)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000969543381 657969526 /nfs/dbraw/zinc/96/95/26/657969526.db2.gz MXVVBWWYIBXTJX-WDEREUQCSA-N -1 1 320.393 0.314 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000970934358 658093637 /nfs/dbraw/zinc/09/36/37/658093637.db2.gz HORKPIGXBUDPDP-LBPRGKRZSA-N -1 1 307.398 0.331 20 0 DCADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C12CCC2 ZINC000866870123 658148270 /nfs/dbraw/zinc/14/82/70/658148270.db2.gz YQXVRIRMKIGOLW-ZJUUUORDSA-N -1 1 310.441 0.896 20 0 DCADMM Cc1[nH]nc(C(=O)N2CCC[C@@H](NCc3nccn3C)C2)c1[O-] ZINC000998951179 665553339 /nfs/dbraw/zinc/55/33/39/665553339.db2.gz BOIUEMCXXSIEIF-LLVKDONJSA-N -1 1 318.381 0.552 20 0 DCADMM COc1cccc(CNC(C)=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000054503521 658186884 /nfs/dbraw/zinc/18/68/84/658186884.db2.gz SEHANIFHNGUGDB-UHFFFAOYSA-N -1 1 305.359 0.590 20 0 DCADMM O=C(c1ncccc1[O-])N1CCC[C@@H](NCc2cnon2)C1 ZINC000998997262 665560347 /nfs/dbraw/zinc/56/03/47/665560347.db2.gz UDWINVNCNFQRHT-SNVBAGLBSA-N -1 1 303.322 0.565 20 0 DCADMM COCC(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001020666484 658342730 /nfs/dbraw/zinc/34/27/30/658342730.db2.gz YRHBGUCOMVVEBS-NEPJUHHUSA-N -1 1 321.377 0.648 20 0 DCADMM O=C(c1cc(F)ccc1[O-])N1CCC(O)(COCCO)CC1 ZINC000924423827 658440264 /nfs/dbraw/zinc/44/02/64/658440264.db2.gz GQRLHHZNNMHVQN-UHFFFAOYSA-N -1 1 313.325 0.507 20 0 DCADMM Cc1ccc(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)nn1 ZINC000999134439 665587433 /nfs/dbraw/zinc/58/74/33/665587433.db2.gz VEJQMGBLSPUEJH-JTQLQIEISA-N -1 1 317.353 0.003 20 0 DCADMM Cc1nonc1CN(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971395013 658582091 /nfs/dbraw/zinc/58/20/91/658582091.db2.gz TXPWXCPBAMZUPT-LLVKDONJSA-N -1 1 317.349 0.825 20 0 DCADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)c1cn[nH]c1 ZINC000939542976 665600792 /nfs/dbraw/zinc/60/07/92/665600792.db2.gz RRHKIAYCKFNQSP-SNVBAGLBSA-N -1 1 301.306 0.155 20 0 DCADMM C[C@H]1COCC[C@@H]1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000999212067 665601793 /nfs/dbraw/zinc/60/17/93/665601793.db2.gz YPIUCBGIZCHJJJ-JQWIXIFHSA-N -1 1 319.361 0.400 20 0 DCADMM CCc1nc(CN[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)no1 ZINC001021998685 658716579 /nfs/dbraw/zinc/71/65/79/658716579.db2.gz GDMLCQHZBZZWJV-AOOOYVTPSA-N -1 1 317.349 0.783 20 0 DCADMM CO[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC000971477498 658749302 /nfs/dbraw/zinc/74/93/02/658749302.db2.gz HHKDLFFYAVUGOC-IJLUTSLNSA-N -1 1 319.361 0.495 20 0 DCADMM CC(C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1)=C1CCC1 ZINC000971509994 658770716 /nfs/dbraw/zinc/77/07/16/658770716.db2.gz YUMDUNTYGBXLMV-CYBMUJFWSA-N -1 1 319.409 0.642 20 0 DCADMM C[C@@H](C(=O)NC1CN(C(=O)c2ncccc2[O-])C1)[C@@H]1CCCO1 ZINC000999247877 665611340 /nfs/dbraw/zinc/61/13/40/665611340.db2.gz XYKIDHQNRDVDLT-MFKMUULPSA-N -1 1 319.361 0.543 20 0 DCADMM O=C(C[C@@H]1CCCO1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024883697 658819224 /nfs/dbraw/zinc/81/92/24/658819224.db2.gz ZKALBHOZITXFQB-NEPJUHHUSA-N -1 1 323.397 0.550 20 0 DCADMM Cc1ocnc1C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024892047 658820869 /nfs/dbraw/zinc/82/08/69/658820869.db2.gz QDDOSCBBTVTMKU-SNVBAGLBSA-N -1 1 320.353 0.591 20 0 DCADMM CC[C@H](OC)C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024894983 658822240 /nfs/dbraw/zinc/82/22/40/658822240.db2.gz TXYVKNVGSSDZPO-MNOVXSKESA-N -1 1 311.386 0.406 20 0 DCADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@H]1CCOC1 ZINC000939636552 665615944 /nfs/dbraw/zinc/61/59/44/665615944.db2.gz VHQVIUJNAXQKEH-WDEREUQCSA-N -1 1 305.334 0.154 20 0 DCADMM Cc1cc(C)c(C(=O)NC[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)o1 ZINC001038141044 658845906 /nfs/dbraw/zinc/84/59/06/658845906.db2.gz NTNLKUPYCVCTNI-NSHDSACASA-N -1 1 319.365 0.323 20 0 DCADMM O=C(CCn1cccc1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970337556 658869922 /nfs/dbraw/zinc/86/99/22/658869922.db2.gz PCSFLOCVMXBNHX-LLVKDONJSA-N -1 1 304.354 0.093 20 0 DCADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(C2CC2)C1 ZINC000872440764 667896042 /nfs/dbraw/zinc/89/60/42/667896042.db2.gz XQCGILLHUHMRRQ-DGIBIBHMSA-N -1 1 323.484 0.954 20 0 DCADMM CC[C@@H](O)CC[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872464442 667899084 /nfs/dbraw/zinc/89/90/84/667899084.db2.gz VGDKSJHKFVBRSF-VVVCHXIZSA-N -1 1 300.446 0.878 20 0 DCADMM O=C(Cc1ccco1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025119272 659065456 /nfs/dbraw/zinc/06/54/56/659065456.db2.gz PVFGHBAOMHVTRP-LLVKDONJSA-N -1 1 319.365 0.817 20 0 DCADMM O=C(N[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1n[nH]cc1F ZINC000973196528 659173156 /nfs/dbraw/zinc/17/31/56/659173156.db2.gz FBJYAICSMIUCRH-ZKCHVHJHSA-N -1 1 319.296 0.340 20 0 DCADMM O=C(N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)C1=CCOCC1 ZINC000974058433 659174308 /nfs/dbraw/zinc/17/43/08/659174308.db2.gz YACPZOWRANRATM-TXEJJXNPSA-N -1 1 317.345 0.511 20 0 DCADMM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21)c1cocn1 ZINC000976252070 659251578 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CCC(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576441276 1164345532 /nfs/dbraw/zinc/34/55/32/1164345532.db2.gz WJZDWZJWQUWTPK-ZJUUUORDSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576441276 1164345534 /nfs/dbraw/zinc/34/55/34/1164345534.db2.gz WJZDWZJWQUWTPK-ZJUUUORDSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576441282 1164345927 /nfs/dbraw/zinc/34/59/27/1164345927.db2.gz WPHQTBPUPMQCPR-ZJUUUORDSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576441282 1164345935 /nfs/dbraw/zinc/34/59/35/1164345935.db2.gz WPHQTBPUPMQCPR-ZJUUUORDSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001576441216 1164346183 /nfs/dbraw/zinc/34/61/83/1164346183.db2.gz VFDDOHKRBVORTG-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001576441216 1164346189 /nfs/dbraw/zinc/34/61/89/1164346189.db2.gz VFDDOHKRBVORTG-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576445491 1164346492 /nfs/dbraw/zinc/34/64/92/1164346492.db2.gz RTTOWCUGNQZLMT-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576445491 1164346499 /nfs/dbraw/zinc/34/64/99/1164346499.db2.gz RTTOWCUGNQZLMT-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576444482 1164346555 /nfs/dbraw/zinc/34/65/55/1164346555.db2.gz IOLIRFRCEXHBES-NXEZZACHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576444482 1164346558 /nfs/dbraw/zinc/34/65/58/1164346558.db2.gz IOLIRFRCEXHBES-NXEZZACHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576445044 1164347974 /nfs/dbraw/zinc/34/79/74/1164347974.db2.gz NKLUMMCECBVYBF-NXEZZACHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576445044 1164347981 /nfs/dbraw/zinc/34/79/81/1164347981.db2.gz NKLUMMCECBVYBF-NXEZZACHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576444843 1164348672 /nfs/dbraw/zinc/34/86/72/1164348672.db2.gz LVZZZEXOEKCAOD-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576444843 1164348679 /nfs/dbraw/zinc/34/86/79/1164348679.db2.gz LVZZZEXOEKCAOD-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CC[C@H](C)C(=O)NCCN(CC)c1nccnc1-c1nnn[n-]1 ZINC001576584863 1164404594 /nfs/dbraw/zinc/40/45/94/1164404594.db2.gz MZNDTWQANMCPRE-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)C(=O)NCCN(CC)c1nccnc1-c1nn[n-]n1 ZINC001576584863 1164404597 /nfs/dbraw/zinc/40/45/97/1164404597.db2.gz MZNDTWQANMCPRE-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576589341 1164406310 /nfs/dbraw/zinc/40/63/10/1164406310.db2.gz IORFKUJGBMQFQV-VHSXEESVSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576589341 1164406316 /nfs/dbraw/zinc/40/63/16/1164406316.db2.gz IORFKUJGBMQFQV-VHSXEESVSA-N -1 1 316.369 0.398 20 0 DCADMM CCC(CC)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576732593 1164445371 /nfs/dbraw/zinc/44/53/71/1164445371.db2.gz HZIMJJZNKVUTJS-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCC(CC)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576732593 1164445376 /nfs/dbraw/zinc/44/53/76/1164445376.db2.gz HZIMJJZNKVUTJS-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](CC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576778621 1164461339 /nfs/dbraw/zinc/46/13/39/1164461339.db2.gz VVHUVELEPYYMGW-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](CC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576778621 1164461343 /nfs/dbraw/zinc/46/13/43/1164461343.db2.gz VVHUVELEPYYMGW-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](CNC(=O)C=C(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576804114 1164470593 /nfs/dbraw/zinc/47/05/93/1164470593.db2.gz OWLWJSMVZUIUNV-JTQLQIEISA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@@H](CNC(=O)C=C(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576804114 1164470596 /nfs/dbraw/zinc/47/05/96/1164470596.db2.gz OWLWJSMVZUIUNV-JTQLQIEISA-N -1 1 316.369 0.930 20 0 DCADMM C[C@@H]1OC(C)(C)N[C@H]1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001576899455 1164521758 /nfs/dbraw/zinc/52/17/58/1164521758.db2.gz RWPNHBVCKGHRTH-IVZWLZJFSA-N -1 1 309.370 0.329 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576925517 1164534162 /nfs/dbraw/zinc/53/41/62/1164534162.db2.gz OBSUSCZQRLJNTM-DTWKUNHWSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576925517 1164534169 /nfs/dbraw/zinc/53/41/69/1164534169.db2.gz OBSUSCZQRLJNTM-DTWKUNHWSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576923445 1164534358 /nfs/dbraw/zinc/53/43/58/1164534358.db2.gz CLIXLQDMABFYQP-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576923445 1164534371 /nfs/dbraw/zinc/53/43/71/1164534371.db2.gz CLIXLQDMABFYQP-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@](COC)(NC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)OC ZINC001576925491 1164535062 /nfs/dbraw/zinc/53/50/62/1164535062.db2.gz LPJNZIFSMCVWQQ-CYBMUJFWSA-N -1 1 323.309 0.158 20 0 DCADMM CC[C@](COC)(NC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)OC ZINC001576925491 1164535070 /nfs/dbraw/zinc/53/50/70/1164535070.db2.gz LPJNZIFSMCVWQQ-CYBMUJFWSA-N -1 1 323.309 0.158 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576926541 1164536639 /nfs/dbraw/zinc/53/66/39/1164536639.db2.gz RPCOOLBFCJCZOS-DTWKUNHWSA-N -1 1 322.348 0.086 20 0 DCADMM CC[C@@H](O)[C@@H](C)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001576999504 1164577700 /nfs/dbraw/zinc/57/77/00/1164577700.db2.gz SJNHMIGDKWCSOJ-HTRCEHHLSA-N -1 1 305.342 0.813 20 0 DCADMM CC[C@H]1CN(C(C)=O)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577172534 1164621877 /nfs/dbraw/zinc/62/18/77/1164621877.db2.gz ATKWRSFRSRXUJV-QWRGUYRKSA-N -1 1 316.369 0.138 20 0 DCADMM CCCC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001577187887 1164627630 /nfs/dbraw/zinc/62/76/30/1164627630.db2.gz NXSUCAOSRRQQMM-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001577187887 1164627632 /nfs/dbraw/zinc/62/76/32/1164627632.db2.gz NXSUCAOSRRQQMM-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001577197049 1164631467 /nfs/dbraw/zinc/63/14/67/1164631467.db2.gz AARROFJWTXSTEI-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001577197049 1164631473 /nfs/dbraw/zinc/63/14/73/1164631473.db2.gz AARROFJWTXSTEI-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001577203165 1164633252 /nfs/dbraw/zinc/63/32/52/1164633252.db2.gz QDANPTPFWCNOCA-LLVKDONJSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001577203165 1164633255 /nfs/dbraw/zinc/63/32/55/1164633255.db2.gz QDANPTPFWCNOCA-LLVKDONJSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577209853 1164635143 /nfs/dbraw/zinc/63/51/43/1164635143.db2.gz AMRGZSRFMPUBPN-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577209853 1164635146 /nfs/dbraw/zinc/63/51/46/1164635146.db2.gz AMRGZSRFMPUBPN-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCC[C@H](C)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001577255863 1164652403 /nfs/dbraw/zinc/65/24/03/1164652403.db2.gz YSUXJRKXGYPQRU-JTQLQIEISA-N -1 1 318.385 0.385 20 0 DCADMM CCC[C@@H](C)[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001577282072 1164660177 /nfs/dbraw/zinc/66/01/77/1164660177.db2.gz AVOZTSDMTGDNFB-PSASIEDQSA-N -1 1 322.373 0.519 20 0 DCADMM CCC[C@@H](C)[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001577282072 1164660180 /nfs/dbraw/zinc/66/01/80/1164660180.db2.gz AVOZTSDMTGDNFB-PSASIEDQSA-N -1 1 322.373 0.519 20 0 DCADMM CCCCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001577416669 1164687939 /nfs/dbraw/zinc/68/79/39/1164687939.db2.gz KAQKIBXFTMTTHI-UHFFFAOYSA-N -1 1 316.369 0.330 20 0 DCADMM CCN1C[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1=O ZINC001578213450 1164952843 /nfs/dbraw/zinc/95/28/43/1164952843.db2.gz RIJAASAVDRQWLG-QMMMGPOBSA-N -1 1 320.378 0.413 20 0 DCADMM CCOC(=O)N(C)CCCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001578246588 1164963934 /nfs/dbraw/zinc/96/39/34/1164963934.db2.gz VFKRUFMBYOSGIF-UHFFFAOYSA-N -1 1 322.329 0.397 20 0 DCADMM CCOC(=O)N(C)CCCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001578246588 1164963938 /nfs/dbraw/zinc/96/39/38/1164963938.db2.gz VFKRUFMBYOSGIF-UHFFFAOYSA-N -1 1 322.329 0.397 20 0 DCADMM CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001578248811 1164963979 /nfs/dbraw/zinc/96/39/79/1164963979.db2.gz YVVDRZPWZQINRK-ZJUUUORDSA-N -1 1 319.321 0.921 20 0 DCADMM CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001578248811 1164963981 /nfs/dbraw/zinc/96/39/81/1164963981.db2.gz YVVDRZPWZQINRK-ZJUUUORDSA-N -1 1 319.321 0.921 20 0 DCADMM CCO[C@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)C1CCOCC1 ZINC001578274887 1164966149 /nfs/dbraw/zinc/96/61/49/1164966149.db2.gz WGFIWRYVBKAMQL-NSHDSACASA-N -1 1 321.341 0.360 20 0 DCADMM CCS(=O)(CC)=NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001578417778 1165007939 /nfs/dbraw/zinc/00/79/39/1165007939.db2.gz XQEXZTGXZFJBLN-SSDOTTSWSA-N -1 1 312.359 0.054 20 0 DCADMM CCc1c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cnn1CC ZINC001578492748 1165034442 /nfs/dbraw/zinc/03/44/42/1165034442.db2.gz KMACMTJPSHTISB-UHFFFAOYSA-N -1 1 315.341 0.631 20 0 DCADMM CCc1c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cnn1CC ZINC001578492748 1165034447 /nfs/dbraw/zinc/03/44/47/1165034447.db2.gz KMACMTJPSHTISB-UHFFFAOYSA-N -1 1 315.341 0.631 20 0 DCADMM CCc1cnc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)o1 ZINC001578555912 1165059090 /nfs/dbraw/zinc/05/90/90/1165059090.db2.gz IPECQMBIFONBSF-ZCFIWIBFSA-N -1 1 303.286 0.208 20 0 DCADMM CCc1nc(N[C@@H](C(N)=O)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001578620713 1165070624 /nfs/dbraw/zinc/07/06/24/1165070624.db2.gz LVQFDAINDJECMV-CYBMUJFWSA-N -1 1 324.348 0.858 20 0 DCADMM CCc1nc(N[C@@H](C(N)=O)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001578620713 1165070627 /nfs/dbraw/zinc/07/06/27/1165070627.db2.gz LVQFDAINDJECMV-CYBMUJFWSA-N -1 1 324.348 0.858 20 0 DCADMM CCc1nc(NC[C@@H](C)NC(=O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001578665568 1165083986 /nfs/dbraw/zinc/08/39/86/1165083986.db2.gz SAJZMZFQYKAZSB-SECBINFHSA-N -1 1 318.385 0.792 20 0 DCADMM CCc1nc(NC[C@@H](C)NC(=O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001578665568 1165083991 /nfs/dbraw/zinc/08/39/91/1165083991.db2.gz SAJZMZFQYKAZSB-SECBINFHSA-N -1 1 318.385 0.792 20 0 DCADMM CCn1nncc1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001578838726 1165136749 /nfs/dbraw/zinc/13/67/49/1165136749.db2.gz TUPDWSBVTUXQIR-UHFFFAOYSA-N -1 1 316.300 0.547 20 0 DCADMM CCn1nncc1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001578838726 1165136753 /nfs/dbraw/zinc/13/67/53/1165136753.db2.gz TUPDWSBVTUXQIR-UHFFFAOYSA-N -1 1 316.300 0.547 20 0 DCADMM COc1cnc(C(C)(C)NC(=O)c2ccnc(N)c2)[n-]c1=O ZINC001579322327 1165269990 /nfs/dbraw/zinc/26/99/90/1165269990.db2.gz QZQPGZGCYRFXGV-UHFFFAOYSA-N -1 1 303.322 0.833 20 0 DCADMM CNC(=O)N[C@@H]1CCCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001579401031 1165299329 /nfs/dbraw/zinc/29/93/29/1165299329.db2.gz JPUPYNOQRACBCN-MRVPVSSYSA-N -1 1 322.398 0.217 20 0 DCADMM CNC(=O)N[C@@H]1CCCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001579401031 1165299337 /nfs/dbraw/zinc/29/93/37/1165299337.db2.gz JPUPYNOQRACBCN-MRVPVSSYSA-N -1 1 322.398 0.217 20 0 DCADMM CNc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001579431291 1165307136 /nfs/dbraw/zinc/30/71/36/1165307136.db2.gz KEDRQZVNEYJADO-UHFFFAOYSA-N -1 1 316.350 0.690 20 0 DCADMM CNc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001579431291 1165307142 /nfs/dbraw/zinc/30/71/42/1165307142.db2.gz KEDRQZVNEYJADO-UHFFFAOYSA-N -1 1 316.350 0.690 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001579442873 1165308933 /nfs/dbraw/zinc/30/89/33/1165308933.db2.gz MOTDYSFSTFVIQN-HTQZYQBOSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001579442873 1165308940 /nfs/dbraw/zinc/30/89/40/1165308940.db2.gz MOTDYSFSTFVIQN-HTQZYQBOSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001579469153 1165320579 /nfs/dbraw/zinc/32/05/79/1165320579.db2.gz MXACILWGSFLEKI-BDAKNGLRSA-N -1 1 319.321 0.840 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001579469153 1165320583 /nfs/dbraw/zinc/32/05/83/1165320583.db2.gz MXACILWGSFLEKI-BDAKNGLRSA-N -1 1 319.321 0.840 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2cnc(C)o2)c1 ZINC001579477780 1165325713 /nfs/dbraw/zinc/32/57/13/1165325713.db2.gz YLKHHRMIKHBHRG-UHFFFAOYSA-N -1 1 316.277 0.160 20 0 DCADMM COC(=O)c1cccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001579487509 1165329552 /nfs/dbraw/zinc/32/95/52/1165329552.db2.gz LOQQZPUABMDZIM-UHFFFAOYSA-N -1 1 313.277 0.629 20 0 DCADMM CO[C@@H](Cn1cnc(-c2nn[n-]n2)cc1=O)c1ccc(F)cc1 ZINC001579596089 1165354894 /nfs/dbraw/zinc/35/48/94/1165354894.db2.gz NLUZICVZJXKHKV-LBPRGKRZSA-N -1 1 316.296 0.950 20 0 DCADMM COc1c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cnn1C ZINC001579875284 1165420320 /nfs/dbraw/zinc/42/03/20/1165420320.db2.gz WCZMCPARWQBNGW-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cnn1C ZINC001579875284 1165420325 /nfs/dbraw/zinc/42/03/25/1165420325.db2.gz WCZMCPARWQBNGW-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1ccc(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cn1 ZINC001579995322 1165466110 /nfs/dbraw/zinc/46/61/10/1165466110.db2.gz ATDBDLWBLFUZQI-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ccc(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cn1 ZINC001579995322 1165466112 /nfs/dbraw/zinc/46/61/12/1165466112.db2.gz ATDBDLWBLFUZQI-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ccc(F)cc1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001580034499 1165479707 /nfs/dbraw/zinc/47/97/07/1165479707.db2.gz PYXUVOYIVRUTRX-UHFFFAOYSA-N -1 1 317.284 0.919 20 0 DCADMM COc1ncc(NC(=O)NC[C@@H](C)CCO)cc1-c1nn[n-]n1 ZINC001580135953 1165513950 /nfs/dbraw/zinc/51/39/50/1165513950.db2.gz GOTNLFJQDSLFCA-QMMMGPOBSA-N -1 1 321.341 0.410 20 0 DCADMM COc1ncc(NC(=O)c2ns[nH]c2=O)cc1-c1nn[n-]n1 ZINC001580140013 1165515238 /nfs/dbraw/zinc/51/52/38/1165515238.db2.gz QRSRKCMYPKHUQR-UHFFFAOYSA-N -1 1 320.294 0.080 20 0 DCADMM COc1nccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001580142392 1165518303 /nfs/dbraw/zinc/51/83/03/1165518303.db2.gz LWMMFTGLBWRZIV-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CC12CC2 ZINC001580285605 1165557457 /nfs/dbraw/zinc/55/74/57/1165557457.db2.gz FDCMQWAUZJJHAM-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CC12CC2 ZINC001580285605 1165557468 /nfs/dbraw/zinc/55/74/68/1165557468.db2.gz FDCMQWAUZJJHAM-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CC1(F)F ZINC001580286124 1165558269 /nfs/dbraw/zinc/55/82/69/1165558269.db2.gz XRHOHFXLCBZOPF-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CC1(F)F ZINC001580286124 1165558275 /nfs/dbraw/zinc/55/82/75/1165558275.db2.gz XRHOHFXLCBZOPF-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CC1(C)C ZINC001580300487 1165562841 /nfs/dbraw/zinc/56/28/41/1165562841.db2.gz SADAMIXJGYVFTR-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CC1(C)C ZINC001580300487 1165562853 /nfs/dbraw/zinc/56/28/53/1165562853.db2.gz SADAMIXJGYVFTR-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001580367883 1165586636 /nfs/dbraw/zinc/58/66/36/1165586636.db2.gz TZACSVSITRTYOG-KXUCPTDWSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001580367883 1165586645 /nfs/dbraw/zinc/58/66/45/1165586645.db2.gz TZACSVSITRTYOG-KXUCPTDWSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001580367044 1165587804 /nfs/dbraw/zinc/58/78/04/1165587804.db2.gz ZCZIOJUXNWEMSN-KXUCPTDWSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001580367044 1165587813 /nfs/dbraw/zinc/58/78/13/1165587813.db2.gz ZCZIOJUXNWEMSN-KXUCPTDWSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001580367604 1165588330 /nfs/dbraw/zinc/58/83/30/1165588330.db2.gz LNIOIWOBGSKRSP-KXUCPTDWSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001580367604 1165588336 /nfs/dbraw/zinc/58/83/36/1165588336.db2.gz LNIOIWOBGSKRSP-KXUCPTDWSA-N -1 1 314.353 0.326 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)nn1C ZINC001580524064 1165629462 /nfs/dbraw/zinc/62/94/62/1165629462.db2.gz RALOLLFPCGGQHK-ATZCPNFKSA-N -1 1 317.353 0.662 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)nn1C ZINC001580524064 1165629467 /nfs/dbraw/zinc/62/94/67/1165629467.db2.gz RALOLLFPCGGQHK-ATZCPNFKSA-N -1 1 317.353 0.662 20 0 DCADMM Cc1c(C(=O)NCc2ccc(-c3nn[n-]n3)s2)nnn1C ZINC001580543547 1165632897 /nfs/dbraw/zinc/63/28/97/1165632897.db2.gz IRBWKKGKSIUHHJ-UHFFFAOYSA-N -1 1 304.339 0.295 20 0 DCADMM Cc1ocnc1CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001580605760 1165653895 /nfs/dbraw/zinc/65/38/95/1165653895.db2.gz IBOXMAVFZVMAQA-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CS[C@H](C)C1 ZINC001580605398 1165654041 /nfs/dbraw/zinc/65/40/41/1165654041.db2.gz ZDEPXDYRTTUOQK-HTQZYQBOSA-N -1 1 320.378 0.900 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)n1 ZINC001580669858 1165681057 /nfs/dbraw/zinc/68/10/57/1165681057.db2.gz FQXGJECXKYZUSZ-WCQGTBRESA-N -1 1 315.381 0.951 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)n1 ZINC001580669858 1165681061 /nfs/dbraw/zinc/68/10/61/1165681061.db2.gz FQXGJECXKYZUSZ-WCQGTBRESA-N -1 1 315.381 0.951 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CNC(=O)CCCF)n1 ZINC001580695744 1165689986 /nfs/dbraw/zinc/68/99/86/1165689986.db2.gz NSMWGQMXXDZLCI-VIFPVBQESA-N -1 1 322.348 0.631 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CNC(=O)CCCF)n1 ZINC001580695744 1165689991 /nfs/dbraw/zinc/68/99/91/1165689991.db2.gz NSMWGQMXXDZLCI-VIFPVBQESA-N -1 1 322.348 0.631 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)NC(=O)C(C)(C)F)n1 ZINC001580746489 1165707419 /nfs/dbraw/zinc/70/74/19/1165707419.db2.gz JSBHYYVKFWMLRA-MRVPVSSYSA-N -1 1 322.348 0.630 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)NC(=O)C(C)(C)F)n1 ZINC001580746489 1165707424 /nfs/dbraw/zinc/70/74/24/1165707424.db2.gz JSBHYYVKFWMLRA-MRVPVSSYSA-N -1 1 322.348 0.630 20 0 DCADMM Cc1nn(C)c(NC(=O)c2c[nH]c(C)cc2=O)c1-c1nnn[n-]1 ZINC001580765913 1165714847 /nfs/dbraw/zinc/71/48/47/1165714847.db2.gz GUOJLWJNNQZJNS-UHFFFAOYSA-N -1 1 314.309 0.158 20 0 DCADMM Cc1nn(C)c(NC(=O)c2c[nH]c(C)cc2=O)c1-c1nn[n-]n1 ZINC001580765913 1165714853 /nfs/dbraw/zinc/71/48/53/1165714853.db2.gz GUOJLWJNNQZJNS-UHFFFAOYSA-N -1 1 314.309 0.158 20 0 DCADMM Cc1cc(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)ccc1F ZINC001581040450 1165778326 /nfs/dbraw/zinc/77/83/26/1165778326.db2.gz RGGSXXRDIDAPPU-UHFFFAOYSA-N -1 1 317.284 0.857 20 0 DCADMM Cc1nc(CNc2cc(-c3nnn[n-]3)ncn2)sc1C(N)=O ZINC001581454221 1165830816 /nfs/dbraw/zinc/83/08/16/1165830816.db2.gz PFSCWBUYTWWBRE-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cc1nc(CNc2cc(-c3nn[n-]n3)ncn2)sc1C(N)=O ZINC001581454221 1165830822 /nfs/dbraw/zinc/83/08/22/1165830822.db2.gz PFSCWBUYTWWBRE-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cc1ncccc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001581561625 1165843853 /nfs/dbraw/zinc/84/38/53/1165843853.db2.gz QCVJHANCVZIILJ-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1ncccc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001581561625 1165843862 /nfs/dbraw/zinc/84/38/62/1165843862.db2.gz QCVJHANCVZIILJ-UHFFFAOYSA-N -1 1 313.325 0.625 20 0 DCADMM Cc1nnc(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)o1 ZINC001581608984 1165849279 /nfs/dbraw/zinc/84/92/79/1165849279.db2.gz WFQZUTQACUOVJN-UHFFFAOYSA-N -1 1 305.323 0.479 20 0 DCADMM Cc1noc(C)c1[C@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001581631234 1165851933 /nfs/dbraw/zinc/85/19/33/1165851933.db2.gz UHMBZXWEFVUZML-LURJTMIESA-N -1 1 316.325 0.947 20 0 DCADMM Cc1noc(C)c1[C@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001581631234 1165851936 /nfs/dbraw/zinc/85/19/36/1165851936.db2.gz UHMBZXWEFVUZML-LURJTMIESA-N -1 1 316.325 0.947 20 0 DCADMM Cn1c(=O)[nH]c(Sc2cccc(O)c2)c(-c2nn[n-]n2)c1=O ZINC001581748609 1165865320 /nfs/dbraw/zinc/86/53/20/1165865320.db2.gz LJRQGXAOUCQLNS-UHFFFAOYSA-N -1 1 318.318 0.111 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]3COC[C@@H]32)n1 ZINC001581754241 1165868506 /nfs/dbraw/zinc/86/85/06/1165868506.db2.gz LZHRSTVMZMCQPA-SCZZXKLOSA-N -1 1 318.341 0.243 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]3COC[C@@H]32)n1 ZINC001581754241 1165868510 /nfs/dbraw/zinc/86/85/10/1165868510.db2.gz LZHRSTVMZMCQPA-SCZZXKLOSA-N -1 1 318.341 0.243 20 0 DCADMM Cn1ncc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1Cl ZINC001581830744 1165883084 /nfs/dbraw/zinc/88/30/84/1165883084.db2.gz CXFQGIINEOOLCK-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM Cn1ncc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1Cl ZINC001581830744 1165883089 /nfs/dbraw/zinc/88/30/89/1165883089.db2.gz CXFQGIINEOOLCK-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM NC(=O)c1ncc(NC(=O)c2ccsc2-c2nnn[n-]2)s1 ZINC001581906091 1165910480 /nfs/dbraw/zinc/91/04/80/1165910480.db2.gz ISHVAOAMXHQPRB-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM NC(=O)c1ncc(NC(=O)c2ccsc2-c2nn[n-]n2)s1 ZINC001581906091 1165910485 /nfs/dbraw/zinc/91/04/85/1165910485.db2.gz ISHVAOAMXHQPRB-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM NC(=O)c1cccc2c1CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001581905381 1165910598 /nfs/dbraw/zinc/91/05/98/1165910598.db2.gz GBSCGHHZNGELQU-UHFFFAOYSA-N -1 1 322.332 0.318 20 0 DCADMM NC(=O)c1cccc2c1CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001581905381 1165910602 /nfs/dbraw/zinc/91/06/02/1165910602.db2.gz GBSCGHHZNGELQU-UHFFFAOYSA-N -1 1 322.332 0.318 20 0 DCADMM O=C(C1CC1)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001581923618 1165915092 /nfs/dbraw/zinc/91/50/92/1165915092.db2.gz YDGDOPFIMBEQEM-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001581923618 1165915096 /nfs/dbraw/zinc/91/50/96/1165915096.db2.gz YDGDOPFIMBEQEM-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C[C@H]1CCC(=O)N1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001581976105 1165928711 /nfs/dbraw/zinc/92/87/11/1165928711.db2.gz VYSYTHKDJYYVFK-SSDOTTSWSA-N -1 1 316.325 0.074 20 0 DCADMM O=C(CCCF)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001582042606 1165942068 /nfs/dbraw/zinc/94/20/68/1165942068.db2.gz QOGIFSPLFULFKC-SECBINFHSA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CCCF)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001582042606 1165942073 /nfs/dbraw/zinc/94/20/73/1165942073.db2.gz QOGIFSPLFULFKC-SECBINFHSA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CNC(=O)c1ccsc1-c1nnn[n-]1)c1cncs1 ZINC001582110339 1165958794 /nfs/dbraw/zinc/95/87/94/1165958794.db2.gz DTFHJPHPLHZCMU-UHFFFAOYSA-N -1 1 320.359 0.997 20 0 DCADMM O=C(CNC(=O)c1ccsc1-c1nn[n-]n1)c1cncs1 ZINC001582110339 1165958802 /nfs/dbraw/zinc/95/88/02/1165958802.db2.gz DTFHJPHPLHZCMU-UHFFFAOYSA-N -1 1 320.359 0.997 20 0 DCADMM O=C(CNc1ncncc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC001582115122 1165961033 /nfs/dbraw/zinc/96/10/33/1165961033.db2.gz YVOBDFZURSBOAL-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCc1ccccc1O ZINC001582137826 1165966036 /nfs/dbraw/zinc/96/60/36/1165966036.db2.gz NIJNMZWCDZJTTQ-UHFFFAOYSA-N -1 1 324.344 0.869 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCc1ccccc1O ZINC001582137826 1165966045 /nfs/dbraw/zinc/96/60/45/1165966045.db2.gz NIJNMZWCDZJTTQ-UHFFFAOYSA-N -1 1 324.344 0.869 20 0 DCADMM O=C(N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C1CC1 ZINC001582227952 1165985955 /nfs/dbraw/zinc/98/59/55/1165985955.db2.gz SZBRCYBULNTDJK-JTQLQIEISA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C1CC1 ZINC001582227952 1165985958 /nfs/dbraw/zinc/98/59/58/1165985958.db2.gz SZBRCYBULNTDJK-JTQLQIEISA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCC(F)(F)CO)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001582359017 1166005690 /nfs/dbraw/zinc/00/56/90/1166005690.db2.gz UXONOPUZHPZIQQ-UHFFFAOYSA-N -1 1 322.275 0.705 20 0 DCADMM O=C(NCCn1cccn1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582528361 1166033387 /nfs/dbraw/zinc/03/33/87/1166033387.db2.gz RDIFPSLZXSMIEV-UHFFFAOYSA-N -1 1 319.275 0.771 20 0 DCADMM O=C(NCCn1cccn1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582528361 1166033395 /nfs/dbraw/zinc/03/33/95/1166033395.db2.gz RDIFPSLZXSMIEV-UHFFFAOYSA-N -1 1 319.275 0.771 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H](CO)CC1CC1 ZINC001582548418 1166040223 /nfs/dbraw/zinc/04/02/23/1166040223.db2.gz ATRJENSEEXNDNS-SECBINFHSA-N -1 1 322.394 0.888 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H](O)Cc1ccccc1 ZINC001582554750 1166041555 /nfs/dbraw/zinc/04/15/55/1166041555.db2.gz TYGDZRKEKFEVIO-AWEZNQCLSA-N -1 1 324.344 0.482 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H](O)Cc1ccccc1 ZINC001582554750 1166041562 /nfs/dbraw/zinc/04/15/62/1166041562.db2.gz TYGDZRKEKFEVIO-AWEZNQCLSA-N -1 1 324.344 0.482 20 0 DCADMM O=C(NCc1nc(C(F)F)no1)c1cccc(-c2nnn[n-]2)n1 ZINC001582560717 1166046041 /nfs/dbraw/zinc/04/60/41/1166046041.db2.gz KGQIVZQOKRAENG-UHFFFAOYSA-N -1 1 322.235 0.512 20 0 DCADMM O=C(NCc1nc(C(F)F)no1)c1cccc(-c2nn[n-]n2)n1 ZINC001582560717 1166046044 /nfs/dbraw/zinc/04/60/44/1166046044.db2.gz KGQIVZQOKRAENG-UHFFFAOYSA-N -1 1 322.235 0.512 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ncc(F)cc1F ZINC001582560490 1166046213 /nfs/dbraw/zinc/04/62/13/1166046213.db2.gz FKTFAZTUYLXFRQ-UHFFFAOYSA-N -1 1 323.288 0.926 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ncc(F)cc1F ZINC001582560490 1166046225 /nfs/dbraw/zinc/04/62/25/1166046225.db2.gz FKTFAZTUYLXFRQ-UHFFFAOYSA-N -1 1 323.288 0.926 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(c2ncon2)CC1 ZINC001582701629 1166068329 /nfs/dbraw/zinc/06/83/29/1166068329.db2.gz SLCLCUIQNRXBIN-UHFFFAOYSA-N -1 1 315.293 0.863 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(c2ncon2)CC1 ZINC001582701629 1166068337 /nfs/dbraw/zinc/06/83/37/1166068337.db2.gz SLCLCUIQNRXBIN-UHFFFAOYSA-N -1 1 315.293 0.863 20 0 DCADMM O=C1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1c1ccccc1 ZINC001582756165 1166075656 /nfs/dbraw/zinc/07/56/56/1166075656.db2.gz QPWMDUYHKADMPZ-NSHDSACASA-N -1 1 322.332 0.296 20 0 DCADMM O=C1CN(c2cncc(-c3nnn[n-]3)n2)CCN1c1ccccc1 ZINC001582777357 1166080310 /nfs/dbraw/zinc/08/03/10/1166080310.db2.gz ROMGFTUUIZBNLY-UHFFFAOYSA-N -1 1 322.332 0.510 20 0 DCADMM O=C1CN(c2cncc(-c3nn[n-]n3)n2)CCN1c1ccccc1 ZINC001582777357 1166080317 /nfs/dbraw/zinc/08/03/17/1166080317.db2.gz ROMGFTUUIZBNLY-UHFFFAOYSA-N -1 1 322.332 0.510 20 0 DCADMM O=c1c(-c2nn[n-]n2)cc2c(n1CCO[C@@H]1CCOC1)CCC2 ZINC001582806924 1166086593 /nfs/dbraw/zinc/08/65/93/1166086593.db2.gz UPKXGMJGSGRTPC-LLVKDONJSA-N -1 1 317.349 0.323 20 0 DCADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccccc1F ZINC001582809102 1166088105 /nfs/dbraw/zinc/08/81/05/1166088105.db2.gz GXSNAFJNDABSHM-JTQLQIEISA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccccc1F ZINC001582809102 1166088113 /nfs/dbraw/zinc/08/81/13/1166088113.db2.gz GXSNAFJNDABSHM-JTQLQIEISA-N -1 1 315.312 0.811 20 0 DCADMM O=c1ccncn1CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001582809299 1166088829 /nfs/dbraw/zinc/08/88/29/1166088829.db2.gz UUQDSXUKXHHFAO-UHFFFAOYSA-N -1 1 324.757 0.645 20 0 DCADMM O=c1ccncn1CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001582809299 1166088837 /nfs/dbraw/zinc/08/88/37/1166088837.db2.gz UUQDSXUKXHHFAO-UHFFFAOYSA-N -1 1 324.757 0.645 20 0 DCADMM O[C@H](CNc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1F ZINC001582809838 1166089069 /nfs/dbraw/zinc/08/90/69/1166089069.db2.gz QHDJIGFIJNNZKJ-LBPRGKRZSA-N -1 1 314.324 0.838 20 0 DCADMM O[C@H](CNc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1F ZINC001582809838 1166089071 /nfs/dbraw/zinc/08/90/71/1166089071.db2.gz QHDJIGFIJNNZKJ-LBPRGKRZSA-N -1 1 314.324 0.838 20 0 DCADMM O=c1[nH]c(C2CC2)nc2c1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001582816685 1166097176 /nfs/dbraw/zinc/09/71/76/1166097176.db2.gz QVQRYWJFYKQKNE-UHFFFAOYSA-N -1 1 323.320 0.550 20 0 DCADMM O=c1[nH]c(C2CC2)nc2c1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001582816685 1166097180 /nfs/dbraw/zinc/09/71/80/1166097180.db2.gz QVQRYWJFYKQKNE-UHFFFAOYSA-N -1 1 323.320 0.550 20 0 DCADMM O=C(c1ccnc2ccncc21)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001585183332 1166410126 /nfs/dbraw/zinc/41/01/26/1166410126.db2.gz KTFFYXNEXXCXIG-GFCCVEGCSA-N -1 1 311.305 0.357 20 0 DCADMM Nc1nnc(CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)s1 ZINC001586104948 1166477960 /nfs/dbraw/zinc/47/79/60/1166477960.db2.gz FRTSQXSKMLNOJJ-JTQLQIEISA-N -1 1 316.350 0.082 20 0 DCADMM CC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588806906 1166591215 /nfs/dbraw/zinc/59/12/15/1166591215.db2.gz NBSARCUFVYIRID-JTQLQIEISA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588806906 1166591224 /nfs/dbraw/zinc/59/12/24/1166591224.db2.gz NBSARCUFVYIRID-JTQLQIEISA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1 ZINC001588800172 1166592315 /nfs/dbraw/zinc/59/23/15/1166592315.db2.gz FVEPFKSEBWNNJP-UHFFFAOYSA-N -1 1 304.358 0.573 20 0 DCADMM CC(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1 ZINC001588800172 1166592319 /nfs/dbraw/zinc/59/23/19/1166592319.db2.gz FVEPFKSEBWNNJP-UHFFFAOYSA-N -1 1 304.358 0.573 20 0 DCADMM CC(=O)N1CCC[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588815979 1166597865 /nfs/dbraw/zinc/59/78/65/1166597865.db2.gz OKYPVKCDFAHHMQ-MWLCHTKSSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588815979 1166597873 /nfs/dbraw/zinc/59/78/73/1166597873.db2.gz OKYPVKCDFAHHMQ-MWLCHTKSSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001588821921 1166600391 /nfs/dbraw/zinc/60/03/91/1166600391.db2.gz LHXWMQHNBOCXMI-JTQLQIEISA-N -1 1 305.294 0.514 20 0 DCADMM CC(=O)N1CCC[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001588821921 1166600397 /nfs/dbraw/zinc/60/03/97/1166600397.db2.gz LHXWMQHNBOCXMI-JTQLQIEISA-N -1 1 305.294 0.514 20 0 DCADMM CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001588841940 1166606227 /nfs/dbraw/zinc/60/62/27/1166606227.db2.gz SPWBIRSIAIFING-SCZZXKLOSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001588841940 1166606229 /nfs/dbraw/zinc/60/62/29/1166606229.db2.gz SPWBIRSIAIFING-SCZZXKLOSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588841756 1166606615 /nfs/dbraw/zinc/60/66/15/1166606615.db2.gz PYCNJPSNSLJGMG-PSASIEDQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588841756 1166606619 /nfs/dbraw/zinc/60/66/19/1166606619.db2.gz PYCNJPSNSLJGMG-PSASIEDQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)NC[C@H]1CCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001588855707 1166607907 /nfs/dbraw/zinc/60/79/07/1166607907.db2.gz XAFHQDRGCKXPNO-LLVKDONJSA-N -1 1 318.337 0.591 20 0 DCADMM CC(=O)NC[C@H]1CCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001588855707 1166607914 /nfs/dbraw/zinc/60/79/14/1166607914.db2.gz XAFHQDRGCKXPNO-LLVKDONJSA-N -1 1 318.337 0.591 20 0 DCADMM CC(=O)NC[C@H]1CCCCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001588854773 1166608269 /nfs/dbraw/zinc/60/82/69/1166608269.db2.gz KYCDSSCZIBJDIF-LLVKDONJSA-N -1 1 316.369 0.460 20 0 DCADMM CC(=O)NC[C@H]1CCCCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001588854773 1166608273 /nfs/dbraw/zinc/60/82/73/1166608273.db2.gz KYCDSSCZIBJDIF-LLVKDONJSA-N -1 1 316.369 0.460 20 0 DCADMM C[C@@H](C(=O)N1CCC(C2CC2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588947976 1166621028 /nfs/dbraw/zinc/62/10/28/1166621028.db2.gz BCOMAZJEMBOQJK-VIFPVBQESA-N -1 1 316.369 0.668 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1CCCC1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588974012 1166623505 /nfs/dbraw/zinc/62/35/05/1166623505.db2.gz WFKAGIVYDWCLGV-DTWKUNHWSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001589020212 1166628918 /nfs/dbraw/zinc/62/89/18/1166628918.db2.gz DZGAOBODJNVJFH-ZCFIWIBFSA-N -1 1 307.314 0.506 20 0 DCADMM C[C@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC001589021556 1166629027 /nfs/dbraw/zinc/62/90/27/1166629027.db2.gz PDBLFWMNRDWFNG-SECBINFHSA-N -1 1 324.348 0.980 20 0 DCADMM CC(C)n1nccc1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589020095 1166629467 /nfs/dbraw/zinc/62/94/67/1166629467.db2.gz CXPJPONHWJQTEE-MRVPVSSYSA-N -1 1 316.329 0.435 20 0 DCADMM C[C@@H](C(=O)Nc1nccc2cc[nH]c21)n1cnc(-c2nn[n-]n2)n1 ZINC001589025349 1166629682 /nfs/dbraw/zinc/62/96/82/1166629682.db2.gz RHILEZMGAHIRFI-ZETCQYMHSA-N -1 1 324.308 0.534 20 0 DCADMM CC(C)(C)[C@H]1CNC(=O)CN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001589105860 1166636080 /nfs/dbraw/zinc/63/60/80/1166636080.db2.gz CLXUNOBENIDZCV-LLVKDONJSA-N -1 1 304.354 0.806 20 0 DCADMM CC(C)(C)[C@H]1CNC(=O)CN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001589105860 1166636085 /nfs/dbraw/zinc/63/60/85/1166636085.db2.gz CLXUNOBENIDZCV-LLVKDONJSA-N -1 1 304.354 0.806 20 0 DCADMM CC(C)(C)OC(=O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001589154809 1166638276 /nfs/dbraw/zinc/63/82/76/1166638276.db2.gz JUCMUDDIEJICJC-UHFFFAOYSA-N -1 1 317.349 0.859 20 0 DCADMM CC(C)(CC(=O)NCCn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC001589270329 1166641891 /nfs/dbraw/zinc/64/18/91/1166641891.db2.gz DBFHSERCECGNCY-UHFFFAOYSA-N -1 1 304.358 0.401 20 0 DCADMM CC(C)(C)n1nnc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001589264449 1166642317 /nfs/dbraw/zinc/64/23/17/1166642317.db2.gz TXZVRDDCCRIPQY-UHFFFAOYSA-N -1 1 317.313 0.131 20 0 DCADMM CC(C)(C)n1nnc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001589264449 1166642325 /nfs/dbraw/zinc/64/23/25/1166642325.db2.gz TXZVRDDCCRIPQY-UHFFFAOYSA-N -1 1 317.313 0.131 20 0 DCADMM CC(C)C(NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001589466584 1166659348 /nfs/dbraw/zinc/65/93/48/1166659348.db2.gz IXBLGYVZTYAJLX-SECBINFHSA-N -1 1 306.374 0.816 20 0 DCADMM CC[C@H](CNC(=O)N[C@@H]1CCCN2CCSC[C@@H]12)C(=O)[O-] ZINC001589535309 1166664570 /nfs/dbraw/zinc/66/45/70/1166664570.db2.gz NHNICIQFGRBHQU-UTUOFQBUSA-N -1 1 315.439 0.976 20 0 DCADMM CC(C)C[C@@H](C)OC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589550131 1166666619 /nfs/dbraw/zinc/66/66/19/1166666619.db2.gz AUGAVJPKYWLQBV-SECBINFHSA-N -1 1 308.346 0.619 20 0 DCADMM CC(C)CC1(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CCC1 ZINC001589564513 1166667013 /nfs/dbraw/zinc/66/70/13/1166667013.db2.gz ZQJJISXILWEMEY-UHFFFAOYSA-N -1 1 318.385 0.791 20 0 DCADMM CC(C)NC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001589721617 1166676148 /nfs/dbraw/zinc/67/61/48/1166676148.db2.gz MKKHTGOVMXEOFV-UHFFFAOYSA-N -1 1 316.369 0.502 20 0 DCADMM CC(C)NC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001589721617 1166676153 /nfs/dbraw/zinc/67/61/53/1166676153.db2.gz MKKHTGOVMXEOFV-UHFFFAOYSA-N -1 1 316.369 0.502 20 0 DCADMM CC(C)NC(=O)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589724224 1166679594 /nfs/dbraw/zinc/67/95/94/1166679594.db2.gz DKSPMIILBCZJGX-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)NC(=O)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589724224 1166679597 /nfs/dbraw/zinc/67/95/97/1166679597.db2.gz DKSPMIILBCZJGX-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)OC(=O)[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001589736235 1166681640 /nfs/dbraw/zinc/68/16/40/1166681640.db2.gz TZRXFFNUUJNACQ-JTQLQIEISA-N -1 1 303.326 0.577 20 0 DCADMM CC(C)OC(=O)[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001589736235 1166681645 /nfs/dbraw/zinc/68/16/45/1166681645.db2.gz TZRXFFNUUJNACQ-JTQLQIEISA-N -1 1 303.326 0.577 20 0 DCADMM CC(C)OCc1noc(Cn2cccc(-c3nn[n-]n3)c2=O)n1 ZINC001589750306 1166683748 /nfs/dbraw/zinc/68/37/48/1166683748.db2.gz VUEUAYHVVOCXBN-UHFFFAOYSA-N -1 1 317.309 0.385 20 0 DCADMM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001589793934 1166687189 /nfs/dbraw/zinc/68/71/89/1166687189.db2.gz FVVKBNZTWZWDHF-YFKPBYRVSA-N -1 1 317.352 0.070 20 0 DCADMM C[C@H](CNC(=O)C=C1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589854085 1166700024 /nfs/dbraw/zinc/70/00/24/1166700024.db2.gz SINORTWQCVVEAJ-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNC(=O)C=C1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589854085 1166700030 /nfs/dbraw/zinc/70/00/30/1166700030.db2.gz SINORTWQCVVEAJ-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNC(=O)CC1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589855235 1166701270 /nfs/dbraw/zinc/70/12/70/1166701270.db2.gz SEGCNXWXRQTXNN-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNC(=O)CC1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589855235 1166701280 /nfs/dbraw/zinc/70/12/80/1166701280.db2.gz SEGCNXWXRQTXNN-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccns1 ZINC001589939197 1166724786 /nfs/dbraw/zinc/72/47/86/1166724786.db2.gz QLHDPMFMDMLVII-ZCFIWIBFSA-N -1 1 319.354 0.939 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccns1 ZINC001589939197 1166724792 /nfs/dbraw/zinc/72/47/92/1166724792.db2.gz QLHDPMFMDMLVII-ZCFIWIBFSA-N -1 1 319.354 0.939 20 0 DCADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(=O)N1CCCC[C@@H]1C ZINC001589986513 1166737150 /nfs/dbraw/zinc/73/71/50/1166737150.db2.gz KEMHMEGECXWECW-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(=O)N1CCCC[C@@H]1C ZINC001589986513 1166737158 /nfs/dbraw/zinc/73/71/58/1166737158.db2.gz KEMHMEGECXWECW-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@@H](O)[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001589997589 1166742283 /nfs/dbraw/zinc/74/22/83/1166742283.db2.gz SCNLJOOWRAEFAS-PRHODGIISA-N -1 1 315.312 0.752 20 0 DCADMM C[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(=O)C(C)(C)C ZINC001590003447 1166749748 /nfs/dbraw/zinc/74/97/48/1166749748.db2.gz APANBEKUNWDPFA-HTQZYQBOSA-N -1 1 321.341 0.566 20 0 DCADMM C[C@@H](OC(=O)c1ccsc1-c1nnn[n-]1)C(=O)NC1CC1 ZINC001590014636 1166752690 /nfs/dbraw/zinc/75/26/90/1166752690.db2.gz RCPWJOZENNGRLX-ZCFIWIBFSA-N -1 1 307.335 0.752 20 0 DCADMM C[C@@H](OC(=O)c1ccsc1-c1nn[n-]n1)C(=O)NC1CC1 ZINC001590014636 1166752694 /nfs/dbraw/zinc/75/26/94/1166752694.db2.gz RCPWJOZENNGRLX-ZCFIWIBFSA-N -1 1 307.335 0.752 20 0 DCADMM C[C@@H](c1nc(C[C@H]2CCCO2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590054277 1166761597 /nfs/dbraw/zinc/76/15/97/1166761597.db2.gz QJHWZEHUQUMOLY-JGVFFNPUSA-N -1 1 317.313 0.172 20 0 DCADMM CC1(C)CC[C@@H](CNC(=O)c2ccnc(-c3nnn[n-]3)c2)O1 ZINC001590090565 1166770349 /nfs/dbraw/zinc/77/03/49/1166770349.db2.gz LDAQLLQNIDSJSP-JTQLQIEISA-N -1 1 302.338 0.949 20 0 DCADMM CC1(C)CC[C@@H](CNC(=O)c2ccnc(-c3nn[n-]n3)c2)O1 ZINC001590090565 1166770351 /nfs/dbraw/zinc/77/03/51/1166770351.db2.gz LDAQLLQNIDSJSP-JTQLQIEISA-N -1 1 302.338 0.949 20 0 DCADMM CC1(C)C[C@@H]1C(=O)NCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590111741 1166780105 /nfs/dbraw/zinc/78/01/05/1166780105.db2.gz RQTKREPMGVGPOO-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM CC1(C)C[C@@H]1C(=O)NCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590111741 1166780112 /nfs/dbraw/zinc/78/01/12/1166780112.db2.gz RQTKREPMGVGPOO-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@]1(C2CC2)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001590122292 1166782793 /nfs/dbraw/zinc/78/27/93/1166782793.db2.gz SXJTVJYKHVAAIP-HNNXBMFYSA-N -1 1 314.349 0.903 20 0 DCADMM C[C@@]1(C2CC2)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001590122292 1166782799 /nfs/dbraw/zinc/78/27/99/1166782799.db2.gz SXJTVJYKHVAAIP-HNNXBMFYSA-N -1 1 314.349 0.903 20 0 DCADMM C[C@]1(O)CCN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590150151 1166790110 /nfs/dbraw/zinc/79/01/10/1166790110.db2.gz KQYYTSKQMPJZOB-JTQLQIEISA-N -1 1 315.380 0.074 20 0 DCADMM C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)O1 ZINC001590190777 1166803389 /nfs/dbraw/zinc/80/33/89/1166803389.db2.gz GHTVMDWZEJUBNB-PJKMHFRUSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)O1 ZINC001590190777 1166803411 /nfs/dbraw/zinc/80/34/11/1166803411.db2.gz GHTVMDWZEJUBNB-PJKMHFRUSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)C1CC1 ZINC001590207893 1166815874 /nfs/dbraw/zinc/81/58/74/1166815874.db2.gz BQNQNPXOVXKUFO-WCBMZHEXSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)C1CC1 ZINC001590207893 1166815879 /nfs/dbraw/zinc/81/58/79/1166815879.db2.gz BQNQNPXOVXKUFO-WCBMZHEXSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590222584 1166817487 /nfs/dbraw/zinc/81/74/87/1166817487.db2.gz LEJSUAALUDFNRG-DBIOUOCHSA-N -1 1 316.369 0.257 20 0 DCADMM C[C@H]1CCC[C@H](C)N1C(=O)COc1cnc(-c2nn[n-]n2)nc1 ZINC001590243752 1166826347 /nfs/dbraw/zinc/82/63/47/1166826347.db2.gz MZYSQZQSGZHJQM-UWVGGRQHSA-N -1 1 317.353 0.825 20 0 DCADMM C[C@@H]1CCCC[C@H]1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC001590252179 1166827740 /nfs/dbraw/zinc/82/77/40/1166827740.db2.gz LDTDOCLVAVMLGH-ZJUUUORDSA-N -1 1 304.354 0.553 20 0 DCADMM C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC[S@@]1=O ZINC001590270440 1166832378 /nfs/dbraw/zinc/83/23/78/1166832378.db2.gz WXSJXDRESAISDF-ZEDNOMKYSA-N -1 1 309.351 0.443 20 0 DCADMM C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC[S@@]1=O ZINC001590270440 1166832382 /nfs/dbraw/zinc/83/23/82/1166832382.db2.gz WXSJXDRESAISDF-ZEDNOMKYSA-N -1 1 309.351 0.443 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1ccnc(-c3nn[n-]n3)n1)C[C@@H](C)O2 ZINC001590313517 1166857272 /nfs/dbraw/zinc/85/72/72/1166857272.db2.gz DZYUAUSVXKUBTK-ISTVAULSSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@H]1CO[C@@H](CO)CN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590325278 1166866257 /nfs/dbraw/zinc/86/62/57/1166866257.db2.gz XBSMQJXAQVURPH-IONNQARKSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1COCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590327243 1166869014 /nfs/dbraw/zinc/86/90/14/1166869014.db2.gz WVNFCRQALSHPCK-SECBINFHSA-N -1 1 303.326 0.762 20 0 DCADMM C[C@H]1COCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590327243 1166869024 /nfs/dbraw/zinc/86/90/24/1166869024.db2.gz WVNFCRQALSHPCK-SECBINFHSA-N -1 1 303.326 0.762 20 0 DCADMM C[C@H]1OCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)[C@@H]1C ZINC001590340022 1166877146 /nfs/dbraw/zinc/87/71/46/1166877146.db2.gz ZCWVPPVRVYSKKH-RKDXNWHRSA-N -1 1 303.326 0.903 20 0 DCADMM C[C@H]1OCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001590340022 1166877149 /nfs/dbraw/zinc/87/71/49/1166877149.db2.gz ZCWVPPVRVYSKKH-RKDXNWHRSA-N -1 1 303.326 0.903 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001590361123 1166885010 /nfs/dbraw/zinc/88/50/10/1166885010.db2.gz UDLWVVQNFWZXKH-JTQLQIEISA-N -1 1 301.354 0.993 20 0 DCADMM CCC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001590360212 1166885179 /nfs/dbraw/zinc/88/51/79/1166885179.db2.gz WFPJKEGMWBXXQY-SECBINFHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001590360212 1166885185 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CC[C@H](C)C[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590405880 1166899877 /nfs/dbraw/zinc/89/98/77/1166899877.db2.gz DABJUPGIFCGHBA-ONGXEEELSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@H](C)C[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590405880 1166899881 /nfs/dbraw/zinc/89/98/81/1166899881.db2.gz DABJUPGIFCGHBA-ONGXEEELSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@H](C)CN(CC)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590410198 1166900643 /nfs/dbraw/zinc/90/06/43/1166900643.db2.gz JZSKCQDYKQAIIA-VHSXEESVSA-N -1 1 306.374 0.914 20 0 DCADMM CC[C@H](CCO)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590438984 1166904618 /nfs/dbraw/zinc/90/46/18/1166904618.db2.gz JVGUNIWMMPMXPM-SNVBAGLBSA-N -1 1 304.354 0.329 20 0 DCADMM CC[C@H](CCO)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590438984 1166904624 /nfs/dbraw/zinc/90/46/24/1166904624.db2.gz JVGUNIWMMPMXPM-SNVBAGLBSA-N -1 1 304.354 0.329 20 0 DCADMM CC[C@@H](CNC(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC001590444295 1166907671 /nfs/dbraw/zinc/90/76/71/1166907671.db2.gz 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ZINC001590971224 1167063548 /nfs/dbraw/zinc/06/35/48/1167063548.db2.gz PXSMDPRGKUZBGA-UHFFFAOYSA-N -1 1 305.323 0.897 20 0 DCADMM CN(C)c1n[nH]c(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001591034386 1167086357 /nfs/dbraw/zinc/08/63/57/1167086357.db2.gz SHOZLBLNPABROR-UHFFFAOYSA-N -1 1 317.288 0.442 20 0 DCADMM CN(C)c1n[nH]c(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001591034386 1167086363 /nfs/dbraw/zinc/08/63/63/1167086363.db2.gz SHOZLBLNPABROR-UHFFFAOYSA-N -1 1 317.288 0.442 20 0 DCADMM CN(CCNC(=O)C1CCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001591097397 1167103268 /nfs/dbraw/zinc/10/32/68/1167103268.db2.gz DYILGJUMRVWGKR-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CN1C(=O)Cc2cc(Nc3cncc(-c4nnn[n-]4)n3)ccc21 ZINC001591165196 1167121284 /nfs/dbraw/zinc/12/12/84/1167121284.db2.gz KLVHYCGUMHWXIS-UHFFFAOYSA-N -1 1 308.305 0.919 20 0 DCADMM CN1C(=O)Cc2cc(Nc3cncc(-c4nn[n-]n4)n3)ccc21 ZINC001591165196 1167121287 /nfs/dbraw/zinc/12/12/87/1167121287.db2.gz KLVHYCGUMHWXIS-UHFFFAOYSA-N -1 1 308.305 0.919 20 0 DCADMM 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1167168697 /nfs/dbraw/zinc/16/86/97/1167168697.db2.gz MHJMRKRCYNSYIF-SNVBAGLBSA-N -1 1 302.338 0.685 20 0 DCADMM COC(=O)C12CC(C1)CN2Cc1nc(-c2nnn[n-]2)cs1 ZINC001591246877 1167173921 /nfs/dbraw/zinc/17/39/21/1167173921.db2.gz VGRMDMQHYJIHMY-UHFFFAOYSA-N -1 1 306.351 0.461 20 0 DCADMM COC(=O)C12CC(C1)CN2Cc1nc(-c2nn[n-]n2)cs1 ZINC001591246877 1167173924 /nfs/dbraw/zinc/17/39/24/1167173924.db2.gz VGRMDMQHYJIHMY-UHFFFAOYSA-N -1 1 306.351 0.461 20 0 DCADMM COC(=O)C1(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001591245046 1167173966 /nfs/dbraw/zinc/17/39/66/1167173966.db2.gz VHHSVPZVTOXIHF-UHFFFAOYSA-N -1 1 316.321 0.477 20 0 DCADMM COC(=O)C1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001591245046 1167173971 /nfs/dbraw/zinc/17/39/71/1167173971.db2.gz VHHSVPZVTOXIHF-UHFFFAOYSA-N -1 1 316.321 0.477 20 0 DCADMM COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001591248246 1167176203 /nfs/dbraw/zinc/17/62/03/1167176203.db2.gz KJRFKIMJVSBFFR-IONNQARKSA-N -1 1 309.351 0.036 20 0 DCADMM COC(=O)[C@H]1C[C@H](O)CN1Cc1csc(-c2nn[n-]n2)c1 ZINC001591249403 1167177060 /nfs/dbraw/zinc/17/70/60/1167177060.db2.gz XGBQRZFVBQRAND-DTWKUNHWSA-N -1 1 309.351 0.036 20 0 DCADMM COC(=O)C[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001591258122 1167181336 /nfs/dbraw/zinc/18/13/36/1167181336.db2.gz AAXMWUOIQSWEGH-JTQLQIEISA-N -1 1 302.338 0.685 20 0 DCADMM COC(=O)C[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001591258122 1167181343 /nfs/dbraw/zinc/18/13/43/1167181343.db2.gz AAXMWUOIQSWEGH-JTQLQIEISA-N -1 1 302.338 0.685 20 0 DCADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001591261434 1167183996 /nfs/dbraw/zinc/18/39/96/1167183996.db2.gz WXHQSBCBDLMKNV-LLVKDONJSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001591261434 1167184000 /nfs/dbraw/zinc/18/40/00/1167184000.db2.gz WXHQSBCBDLMKNV-LLVKDONJSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)CC1CC(OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591261605 1167184053 /nfs/dbraw/zinc/18/40/53/1167184053.db2.gz 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0.432 20 0 DCADMM COC(=O)c1ccc(N2CC[C@](C)(O)C2)c(-c2nnn[n-]2)n1 ZINC001591293738 1167204642 /nfs/dbraw/zinc/20/46/42/1167204642.db2.gz LNVVNWBRRYNGOF-ZDUSSCGKSA-N -1 1 304.310 0.009 20 0 DCADMM COC(=O)c1ccc(N2CC[C@](C)(O)C2)c(-c2nn[n-]n2)n1 ZINC001591293738 1167204649 /nfs/dbraw/zinc/20/46/49/1167204649.db2.gz LNVVNWBRRYNGOF-ZDUSSCGKSA-N -1 1 304.310 0.009 20 0 DCADMM COC(=O)c1occc1Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001591308448 1167206985 /nfs/dbraw/zinc/20/69/85/1167206985.db2.gz CDYCBQYPUAKWIH-UHFFFAOYSA-N -1 1 301.262 0.456 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591362757 1167236462 /nfs/dbraw/zinc/23/64/62/1167236462.db2.gz QFIKRHHAQRMYMU-GXSJLCMTSA-N -1 1 307.310 0.336 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591362757 1167236469 /nfs/dbraw/zinc/23/64/69/1167236469.db2.gz QFIKRHHAQRMYMU-GXSJLCMTSA-N -1 1 307.310 0.336 20 0 DCADMM COCC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCOCC1 ZINC001591390004 1167258317 /nfs/dbraw/zinc/25/83/17/1167258317.db2.gz XJWHCKLKDIQHQX-UHFFFAOYSA-N -1 1 319.369 0.820 20 0 DCADMM COCC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCOCC1 ZINC001591390004 1167258325 /nfs/dbraw/zinc/25/83/25/1167258325.db2.gz XJWHCKLKDIQHQX-UHFFFAOYSA-N -1 1 319.369 0.820 20 0 DCADMM COCC1(N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001591389593 1167258710 /nfs/dbraw/zinc/25/87/10/1167258710.db2.gz YYJZYOLKUNRRFI-UHFFFAOYSA-N -1 1 302.338 0.903 20 0 DCADMM COCC1(N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001591389593 1167258715 /nfs/dbraw/zinc/25/87/15/1167258715.db2.gz YYJZYOLKUNRRFI-UHFFFAOYSA-N -1 1 302.338 0.903 20 0 DCADMM COC[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC001591395840 1167263792 /nfs/dbraw/zinc/26/37/92/1167263792.db2.gz LCPLFQRSZUQDSD-NXEZZACHSA-N -1 1 305.342 0.205 20 0 DCADMM COC[C@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC001591395840 1167263799 /nfs/dbraw/zinc/26/37/99/1167263799.db2.gz LCPLFQRSZUQDSD-NXEZZACHSA-N -1 1 305.342 0.205 20 0 DCADMM COC[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC001591396496 1167267042 /nfs/dbraw/zinc/26/70/42/1167267042.db2.gz YJVKXEYAUOTRRI-KOLCDFICSA-N -1 1 318.337 0.138 20 0 DCADMM COC[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC001591396496 1167267047 /nfs/dbraw/zinc/26/70/47/1167267047.db2.gz YJVKXEYAUOTRRI-KOLCDFICSA-N -1 1 318.337 0.138 20 0 DCADMM COCCCC(=O)NCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001591406573 1167273446 /nfs/dbraw/zinc/27/34/46/1167273446.db2.gz AHADPYGILYESSS-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM COCCCC(=O)NCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001591406573 1167273451 /nfs/dbraw/zinc/27/34/51/1167273451.db2.gz AHADPYGILYESSS-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM COCCCOCCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001591417261 1167275708 /nfs/dbraw/zinc/27/57/08/1167275708.db2.gz QVBLFRQXSQOWBT-UHFFFAOYSA-N -1 1 320.353 0.321 20 0 DCADMM COCCCOCCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001591417261 1167275711 /nfs/dbraw/zinc/27/57/11/1167275711.db2.gz 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1167343446 /nfs/dbraw/zinc/34/34/46/1167343446.db2.gz CELNHQBNUQOYNN-SFYZADRCSA-N -1 1 304.310 0.634 20 0 DCADMM CS(=O)(=O)CC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001591671541 1167348033 /nfs/dbraw/zinc/34/80/33/1167348033.db2.gz PYCZYKHEPNBTQW-UHFFFAOYSA-N -1 1 322.394 0.523 20 0 DCADMM CS(=O)(=O)CC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001591671541 1167348040 /nfs/dbraw/zinc/34/80/40/1167348040.db2.gz PYCZYKHEPNBTQW-UHFFFAOYSA-N -1 1 322.394 0.523 20 0 DCADMM CS(=O)(=O)CC1(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001591673703 1167348238 /nfs/dbraw/zinc/34/82/38/1167348238.db2.gz VGAXRZCKTXUWSH-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM CS(=O)(=O)CC1(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001591673703 1167348243 /nfs/dbraw/zinc/34/82/43/1167348243.db2.gz VGAXRZCKTXUWSH-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM C[S@](=O)C1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CCC1 ZINC001591682177 1167351807 /nfs/dbraw/zinc/35/18/07/1167351807.db2.gz FDPLXNKNOPIBFI-NRFANRHFSA-N -1 1 309.351 0.491 20 0 DCADMM C[S@](=O)C1(CNC(=O)c2coc(-c3nn[n-]n3)c2)CCC1 ZINC001591682177 1167351814 /nfs/dbraw/zinc/35/18/14/1167351814.db2.gz FDPLXNKNOPIBFI-NRFANRHFSA-N -1 1 309.351 0.491 20 0 DCADMM CS[C@@H]1CC[C@H](NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591693055 1167356706 /nfs/dbraw/zinc/35/67/06/1167356706.db2.gz ZDVJCUOZDPUVFD-XHNCKOQMSA-N -1 1 322.398 0.420 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CC23CC3)cc1-c1nn[n-]n1 ZINC001591705073 1167357951 /nfs/dbraw/zinc/35/79/51/1167357951.db2.gz XSVFJQPZDSKRHW-QMMMGPOBSA-N -1 1 318.362 0.972 20 0 DCADMM CSCC[C@H](O)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591700344 1167359934 /nfs/dbraw/zinc/35/99/34/1167359934.db2.gz NLMOAXKSAMZGRQ-ZETCQYMHSA-N -1 1 314.396 0.053 20 0 DCADMM CSCC[C@H](O)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591700344 1167359936 /nfs/dbraw/zinc/35/99/36/1167359936.db2.gz NLMOAXKSAMZGRQ-ZETCQYMHSA-N -1 1 314.396 0.053 20 0 DCADMM CSc1ncc(C(=O)Nc2n[nH]cc2-c2nn[nH]n2)c(=O)[n-]1 ZINC001591718885 1167360830 /nfs/dbraw/zinc/36/08/30/1167360830.db2.gz RWXJLBCBVAGXHZ-UHFFFAOYSA-N -1 1 319.310 0.060 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1CC1 ZINC001591724869 1167361794 /nfs/dbraw/zinc/36/17/94/1167361794.db2.gz KGRUNPADNKDPCN-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1CC1 ZINC001591724869 1167361800 /nfs/dbraw/zinc/36/18/00/1167361800.db2.gz KGRUNPADNKDPCN-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1cnccn1 ZINC001591727934 1167364590 /nfs/dbraw/zinc/36/45/90/1167364590.db2.gz QLVLAOROAZIVGC-SECBINFHSA-N -1 1 310.321 0.472 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1cnccn1 ZINC001591727934 1167364595 /nfs/dbraw/zinc/36/45/95/1167364595.db2.gz QLVLAOROAZIVGC-SECBINFHSA-N -1 1 310.321 0.472 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CCOC[C@H]2C)nn1C ZINC001591797706 1167382683 /nfs/dbraw/zinc/38/26/83/1167382683.db2.gz AOHBKZNHZYIFSO-APPZFPTMSA-N -1 1 305.342 0.520 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CCOC[C@H]2C)nn1C ZINC001591797706 1167382690 /nfs/dbraw/zinc/38/26/90/1167382690.db2.gz AOHBKZNHZYIFSO-APPZFPTMSA-N -1 1 305.342 0.520 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](OCCO)C2)c1 ZINC001591889115 1167411659 /nfs/dbraw/zinc/41/16/59/1167411659.db2.gz POEDTMIFRCMVNB-NSHDSACASA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](OCCO)C2)c1 ZINC001591889115 1167411663 /nfs/dbraw/zinc/41/16/63/1167411663.db2.gz POEDTMIFRCMVNB-NSHDSACASA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](c3nnc[nH]3)C2)n1 ZINC001591887870 1167411906 /nfs/dbraw/zinc/41/19/06/1167411906.db2.gz HNJWSCGSBZXLCV-VIFPVBQESA-N -1 1 312.341 0.467 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](O)c2cncs2)n1 ZINC001591895765 1167413631 /nfs/dbraw/zinc/41/36/31/1167413631.db2.gz BCPLDQZBORZFAQ-QMMMGPOBSA-N -1 1 304.339 0.567 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](O)c2cncs2)n1 ZINC001591895765 1167413633 /nfs/dbraw/zinc/41/36/33/1167413633.db2.gz BCPLDQZBORZFAQ-QMMMGPOBSA-N -1 1 304.339 0.567 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)C2=CCCC2)n1 ZINC001591899833 1167414136 /nfs/dbraw/zinc/41/41/36/1167414136.db2.gz ANOWSUSRPATDLR-UHFFFAOYSA-N -1 1 314.353 0.604 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)C2=CCCC2)n1 ZINC001591899833 1167414140 /nfs/dbraw/zinc/41/41/40/1167414140.db2.gz ANOWSUSRPATDLR-UHFFFAOYSA-N -1 1 314.353 0.604 20 0 DCADMM Cc1cc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)ns1 ZINC001591934963 1167420334 /nfs/dbraw/zinc/42/03/34/1167420334.db2.gz AXRPZEXZZOOKRY-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1cc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)ns1 ZINC001591934963 1167420340 /nfs/dbraw/zinc/42/03/40/1167420340.db2.gz AXRPZEXZZOOKRY-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1cc(OCC(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)no1 ZINC001592059985 1167445681 /nfs/dbraw/zinc/44/56/81/1167445681.db2.gz ZBBUFEORXXSUEM-UHFFFAOYSA-N -1 1 318.297 0.223 20 0 DCADMM Cc1cc(OCC(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)no1 ZINC001592059985 1167445689 /nfs/dbraw/zinc/44/56/89/1167445689.db2.gz ZBBUFEORXXSUEM-UHFFFAOYSA-N -1 1 318.297 0.223 20 0 DCADMM Cc1cc(NCCS(=O)(=O)CC2CC2)nc(-c2nnn[n-]2)c1 ZINC001592050609 1167446900 /nfs/dbraw/zinc/44/69/00/1167446900.db2.gz PMANHTSDODJGEX-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1cc(NCCS(=O)(=O)CC2CC2)nc(-c2nn[n-]n2)c1 ZINC001592050609 1167446901 /nfs/dbraw/zinc/44/69/01/1167446901.db2.gz PMANHTSDODJGEX-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc([C@@H](O)CNC(=O)c2coc(-c3nnn[n-]3)c2)o1 ZINC001592137218 1167462280 /nfs/dbraw/zinc/46/22/80/1167462280.db2.gz DXICIMNSGRCLGQ-VIFPVBQESA-N -1 1 303.278 0.825 20 0 DCADMM Cc1ccc([C@@H](O)CNC(=O)c2coc(-c3nn[n-]n3)c2)o1 ZINC001592137218 1167462288 /nfs/dbraw/zinc/46/22/88/1167462288.db2.gz DXICIMNSGRCLGQ-VIFPVBQESA-N -1 1 303.278 0.825 20 0 DCADMM Cc1ccc(N2CCO[C@@]3(CCO[C@@H]3C)C2)c(-c2nnn[n-]2)n1 ZINC001592176656 1167470945 /nfs/dbraw/zinc/47/09/45/1167470945.db2.gz UEEGSNIFZGDEBW-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@@]3(CCO[C@@H]3C)C2)c(-c2nn[n-]n2)n1 ZINC001592176656 1167470950 /nfs/dbraw/zinc/47/09/50/1167470950.db2.gz UEEGSNIFZGDEBW-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccn(CC(=O)NCC2CCC2)c(=O)c1-c1nn[n-]n1 ZINC001592265403 1167480325 /nfs/dbraw/zinc/48/03/25/1167480325.db2.gz WLNNOWDSAQERGU-UHFFFAOYSA-N -1 1 302.338 0.253 20 0 DCADMM Cc1[nH]nc(NC(=O)c2c[nH]cc(C)c2=O)c1-c1nn[n-]n1 ZINC001592299344 1167485560 /nfs/dbraw/zinc/48/55/60/1167485560.db2.gz XXHXUCGXAJZKAQ-UHFFFAOYSA-N -1 1 300.282 0.147 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)n1 ZINC001592337349 1167492602 /nfs/dbraw/zinc/49/26/02/1167492602.db2.gz HNRGLRPKIWKXOW-BNJANLQDSA-N -1 1 319.394 0.455 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)n1 ZINC001592337349 1167492609 /nfs/dbraw/zinc/49/26/09/1167492609.db2.gz HNRGLRPKIWKXOW-BNJANLQDSA-N -1 1 319.394 0.455 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)N2CCC[C@H](C)C2)c1C ZINC001592339604 1167493851 /nfs/dbraw/zinc/49/38/51/1167493851.db2.gz PWEFJBRJTHDEHG-VIFPVBQESA-N -1 1 303.370 0.939 20 0 DCADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)N2CCC[C@H](C)C2)c1C ZINC001592339604 1167493855 /nfs/dbraw/zinc/49/38/55/1167493855.db2.gz PWEFJBRJTHDEHG-VIFPVBQESA-N -1 1 303.370 0.939 20 0 DCADMM Cc1nc(C)c(C(=O)Cn2cc(-c3nn[n-]n3)ccc2=O)o1 ZINC001592353806 1167501314 /nfs/dbraw/zinc/50/13/14/1167501314.db2.gz VVTWAVOYJIPGTO-UHFFFAOYSA-N -1 1 300.278 0.516 20 0 DCADMM Cc1nc(C)c(C(=O)COc2cnc(-c3nn[n-]n3)nc2)o1 ZINC001592353258 1167502588 /nfs/dbraw/zinc/50/25/88/1167502588.db2.gz LKMMASMKDOUSBD-UHFFFAOYSA-N -1 1 301.266 0.523 20 0 DCADMM Cc1nccnc1CCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592419996 1167517581 /nfs/dbraw/zinc/51/75/81/1167517581.db2.gz KADZRHWECPZKDK-UHFFFAOYSA-N -1 1 311.305 0.760 20 0 DCADMM Cc1nccnc1CCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592419996 1167517586 /nfs/dbraw/zinc/51/75/86/1167517586.db2.gz KADZRHWECPZKDK-UHFFFAOYSA-N -1 1 311.305 0.760 20 0 DCADMM Cc1nn(C)c(C)c1CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592428022 1167519776 /nfs/dbraw/zinc/51/97/76/1167519776.db2.gz BQLGXKXQWKRSLI-UHFFFAOYSA-N -1 1 313.369 0.474 20 0 DCADMM Cc1nn(C[C@](C)(O)C(F)F)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436671 1167522458 /nfs/dbraw/zinc/52/24/58/1167522458.db2.gz YJZHGBNRJKGQDV-NSHDSACASA-N -1 1 300.269 0.056 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)c1-c1nnn[n-]1 ZINC001592442200 1167524576 /nfs/dbraw/zinc/52/45/76/1167524576.db2.gz JAGCTXAEWJGZAI-CNUIFLNQSA-N -1 1 305.342 0.661 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)c1-c1nn[n-]n1 ZINC001592442200 1167524581 /nfs/dbraw/zinc/52/45/81/1167524581.db2.gz JAGCTXAEWJGZAI-CNUIFLNQSA-N -1 1 305.342 0.661 20 0 DCADMM Cc1noc(CCCOC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592462804 1167532018 /nfs/dbraw/zinc/53/20/18/1167532018.db2.gz PKMRANMQDJLOGV-UHFFFAOYSA-N -1 1 315.293 0.743 20 0 DCADMM Cc1noc(CCCOC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592462804 1167532022 /nfs/dbraw/zinc/53/20/22/1167532022.db2.gz PKMRANMQDJLOGV-UHFFFAOYSA-N -1 1 315.293 0.743 20 0 DCADMM Cc1nsc(N2CC[C@]3(CCOC3=O)C2)c1-c1nn[n-]n1 ZINC001592474155 1167534925 /nfs/dbraw/zinc/53/49/25/1167534925.db2.gz GJFOYCGNLBYGKK-LBPRGKRZSA-N -1 1 306.351 0.775 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCC[C@@H]2CCO)c1-c1nnn[n-]1 ZINC001592517814 1167546294 /nfs/dbraw/zinc/54/62/94/1167546294.db2.gz RXKOURJNUZXFPV-ZJUUUORDSA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCC[C@@H]2CCO)c1-c1nn[n-]n1 ZINC001592517814 1167546301 /nfs/dbraw/zinc/54/63/01/1167546301.db2.gz RXKOURJNUZXFPV-ZJUUUORDSA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCOC[C@@H]2C)c1-c1nnn[n-]1 ZINC001592517838 1167546574 /nfs/dbraw/zinc/54/65/74/1167546574.db2.gz UASFPJFKKTXCKP-IONNQARKSA-N -1 1 306.326 0.247 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCOC[C@@H]2C)c1-c1nn[n-]n1 ZINC001592517838 1167546580 /nfs/dbraw/zinc/54/65/80/1167546580.db2.gz UASFPJFKKTXCKP-IONNQARKSA-N -1 1 306.326 0.247 20 0 DCADMM Cn1c2ccc(Nc3cnc(-c4nnn[n-]4)cn3)cc2n(C)c1=O ZINC001592547107 1167553682 /nfs/dbraw/zinc/55/36/82/1167553682.db2.gz HBNXOIKICJCOCZ-UHFFFAOYSA-N -1 1 323.320 0.591 20 0 DCADMM Cn1c2ccc(Nc3cnc(-c4nn[n-]n4)cn3)cc2n(C)c1=O ZINC001592547107 1167553689 /nfs/dbraw/zinc/55/36/89/1167553689.db2.gz HBNXOIKICJCOCZ-UHFFFAOYSA-N -1 1 323.320 0.591 20 0 DCADMM Cn1c(CNC(=O)c2coc(-c3nnn[n-]3)c2)nnc1C1CC1 ZINC001592552756 1167557753 /nfs/dbraw/zinc/55/77/53/1167557753.db2.gz OWISAEODDZUJRY-UHFFFAOYSA-N -1 1 314.309 0.396 20 0 DCADMM Cn1c(CNC(=O)c2coc(-c3nn[n-]n3)c2)nnc1C1CC1 ZINC001592552756 1167557759 /nfs/dbraw/zinc/55/77/59/1167557759.db2.gz OWISAEODDZUJRY-UHFFFAOYSA-N -1 1 314.309 0.396 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CC[C@@H]2CCCCO2)n1 ZINC001592558910 1167557831 /nfs/dbraw/zinc/55/78/31/1167557831.db2.gz MCZZXIQWZFDCBF-VIFPVBQESA-N -1 1 305.342 0.888 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CC[C@@H]2CCCCO2)n1 ZINC001592558910 1167557834 /nfs/dbraw/zinc/55/78/34/1167557834.db2.gz MCZZXIQWZFDCBF-VIFPVBQESA-N -1 1 305.342 0.888 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C(F)F)n(C)n2)n1 ZINC001592560613 1167560367 /nfs/dbraw/zinc/56/03/67/1167560367.db2.gz JGQQZTOWSGAVOX-UHFFFAOYSA-N -1 1 323.267 0.524 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C(F)F)n(C)n2)n1 ZINC001592560613 1167560373 /nfs/dbraw/zinc/56/03/73/1167560373.db2.gz JGQQZTOWSGAVOX-UHFFFAOYSA-N -1 1 323.267 0.524 20 0 DCADMM Cn1nc2c(c1CNc1n[nH]cc1-c1nnn[n-]1)COCC2 ZINC001592596970 1167575676 /nfs/dbraw/zinc/57/56/76/1167575676.db2.gz MZADVYXFTJBDPX-UHFFFAOYSA-N -1 1 301.314 0.008 20 0 DCADMM Cn1nc2c(c1CNc1n[nH]cc1-c1nn[n-]n1)COCC2 ZINC001592596970 1167575684 /nfs/dbraw/zinc/57/56/84/1167575684.db2.gz MZADVYXFTJBDPX-UHFFFAOYSA-N -1 1 301.314 0.008 20 0 DCADMM Cn1nc(CNc2ccnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001592595281 1167576853 /nfs/dbraw/zinc/57/68/53/1167576853.db2.gz MAQWDXPCBUKZLO-UHFFFAOYSA-N -1 1 307.321 0.577 20 0 DCADMM NC(=O)C1(CNC(=O)c2csc(-c3nn[n-]n3)c2)CCCC1 ZINC001592717082 1167611060 /nfs/dbraw/zinc/61/10/60/1167611060.db2.gz CGSMTGNCRPLHNN-UHFFFAOYSA-N -1 1 320.378 0.704 20 0 DCADMM NC(=O)[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001592721152 1167613170 /nfs/dbraw/zinc/61/31/70/1167613170.db2.gz UZJGJQAJDPYBPN-YFKPBYRVSA-N -1 1 313.774 0.678 20 0 DCADMM NC(=O)[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001592721152 1167613172 /nfs/dbraw/zinc/61/31/72/1167613172.db2.gz UZJGJQAJDPYBPN-YFKPBYRVSA-N -1 1 313.774 0.678 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1c2c(ccc1F)OCO2 ZINC001592753036 1167630687 /nfs/dbraw/zinc/63/06/87/1167630687.db2.gz HDIRUICMDIPKMA-UHFFFAOYSA-N -1 1 317.240 0.202 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1COc2ccccc2C1 ZINC001592754688 1167633873 /nfs/dbraw/zinc/63/38/73/1167633873.db2.gz RIWRRDADLCCXAC-VIFPVBQESA-N -1 1 311.305 0.537 20 0 DCADMM O=C(C1CC1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592774336 1167641981 /nfs/dbraw/zinc/64/19/81/1167641981.db2.gz GWWLBBHCMPXMSW-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C(C1CC1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592774336 1167642000 /nfs/dbraw/zinc/64/20/00/1167642000.db2.gz GWWLBBHCMPXMSW-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C(CCOCC(F)F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592845612 1167649557 /nfs/dbraw/zinc/64/95/57/1167649557.db2.gz GSXWQTBTLOHLSC-UHFFFAOYSA-N -1 1 313.264 0.977 20 0 DCADMM O=C(CCOCC(F)F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592845612 1167649558 /nfs/dbraw/zinc/64/95/58/1167649558.db2.gz GSXWQTBTLOHLSC-UHFFFAOYSA-N -1 1 313.264 0.977 20 0 DCADMM O=C(CCc1ccsc1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592855161 1167651703 /nfs/dbraw/zinc/65/17/03/1167651703.db2.gz DQBUPVYTTBALFJ-UHFFFAOYSA-N -1 1 318.366 0.269 20 0 DCADMM O=C(COC(F)F)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592885614 1167658083 /nfs/dbraw/zinc/65/80/83/1167658083.db2.gz GVDAMROCMOXFJO-UHFFFAOYSA-N -1 1 310.264 0.780 20 0 DCADMM O=C(COC(F)F)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592885614 1167658086 /nfs/dbraw/zinc/65/80/86/1167658086.db2.gz GVDAMROCMOXFJO-UHFFFAOYSA-N -1 1 310.264 0.780 20 0 DCADMM O=C(CS(=O)(=O)C1CC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592899261 1167661410 /nfs/dbraw/zinc/66/14/10/1167661410.db2.gz ANJWPOUZJYKWFN-UHFFFAOYSA-N -1 1 323.334 0.088 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC([C@@H]2CCOC2)C1 ZINC001592914062 1167662919 /nfs/dbraw/zinc/66/29/19/1167662919.db2.gz VFVKOFXLVIFKAD-LLVKDONJSA-N -1 1 314.349 0.299 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC([C@@H]2CCOC2)C1 ZINC001592914062 1167662925 /nfs/dbraw/zinc/66/29/25/1167662925.db2.gz VFVKOFXLVIFKAD-LLVKDONJSA-N -1 1 314.349 0.299 20 0 DCADMM O=C(Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)NCC1CC1 ZINC001592937145 1167668423 /nfs/dbraw/zinc/66/84/23/1167668423.db2.gz HZCLWOMDHWIRNP-UHFFFAOYSA-N -1 1 314.349 0.043 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(C2CC2)CC1 ZINC001592940631 1167670349 /nfs/dbraw/zinc/67/03/49/1167670349.db2.gz RGMWYRSEXWHYHN-UHFFFAOYSA-N -1 1 302.342 0.107 20 0 DCADMM O=C(N=S1(=O)CCOCC1)c1ccsc1-c1nnn[n-]1 ZINC001592946908 1167672634 /nfs/dbraw/zinc/67/26/34/1167672634.db2.gz BIIZHERZKOHUQA-UHFFFAOYSA-N -1 1 313.364 0.567 20 0 DCADMM O=C(N=S1(=O)CCOCC1)c1ccsc1-c1nn[n-]n1 ZINC001592946908 1167672638 /nfs/dbraw/zinc/67/26/38/1167672638.db2.gz BIIZHERZKOHUQA-UHFFFAOYSA-N -1 1 313.364 0.567 20 0 DCADMM O=C(N[C@]1(CCO)CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001592956968 1167675065 /nfs/dbraw/zinc/67/50/65/1167675065.db2.gz QDKNUPQONVPYIH-GFCCVEGCSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(NC1CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592966843 1167676656 /nfs/dbraw/zinc/67/66/56/1167676656.db2.gz FLOUGCTZCYSDLO-SECBINFHSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC1CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592966843 1167676661 /nfs/dbraw/zinc/67/66/61/1167676661.db2.gz FLOUGCTZCYSDLO-SECBINFHSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC1CC1)N[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001592966686 1167676962 /nfs/dbraw/zinc/67/69/62/1167676962.db2.gz CXYSLWTXKPCTKJ-SNVBAGLBSA-N -1 1 314.353 0.302 20 0 DCADMM O=C(NC1CC1)N[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001592966686 1167676967 /nfs/dbraw/zinc/67/69/67/1167676967.db2.gz CXYSLWTXKPCTKJ-SNVBAGLBSA-N -1 1 314.353 0.302 20 0 DCADMM O=C(N[C@@H]1CCN(CC(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001592984730 1167678960 /nfs/dbraw/zinc/67/89/60/1167678960.db2.gz ODGFOABKTYICSE-SECBINFHSA-N -1 1 323.307 0.331 20 0 DCADMM O=C(N[C@@H]1CCN(CC(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592984730 1167678965 /nfs/dbraw/zinc/67/89/65/1167678965.db2.gz ODGFOABKTYICSE-SECBINFHSA-N -1 1 323.307 0.331 20 0 DCADMM O=C(N[C@H]1CCCn2nccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001592985885 1167679175 /nfs/dbraw/zinc/67/91/75/1167679175.db2.gz QWKFWSOESCJPCR-JTQLQIEISA-N -1 1 310.321 0.723 20 0 DCADMM O=C(N[C@H]1CCCn2nccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001592985885 1167679178 /nfs/dbraw/zinc/67/91/78/1167679178.db2.gz QWKFWSOESCJPCR-JTQLQIEISA-N -1 1 310.321 0.723 20 0 DCADMM O=C(N[C@H]1CCCC2(C1)OCCO2)c1coc(-c2nnn[n-]2)c1 ZINC001592977687 1167680005 /nfs/dbraw/zinc/68/00/05/1167680005.db2.gz JASIXYOGQSBFQG-JTQLQIEISA-N -1 1 319.321 0.875 20 0 DCADMM O=C(N[C@H]1CCCC2(C1)OCCO2)c1coc(-c2nn[n-]n2)c1 ZINC001592977687 1167680008 /nfs/dbraw/zinc/68/00/08/1167680008.db2.gz JASIXYOGQSBFQG-JTQLQIEISA-N -1 1 319.321 0.875 20 0 DCADMM O=C(N[C@@H]1CCn2ccnc21)c1csc(-c2nn[n-]n2)c1 ZINC001592996759 1167681063 /nfs/dbraw/zinc/68/10/63/1167681063.db2.gz MTXWPUQHFXGKBW-MRVPVSSYSA-N -1 1 301.335 1.000 20 0 DCADMM O=C(NC[C@@H]1C=CCC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593022644 1167689147 /nfs/dbraw/zinc/68/91/47/1167689147.db2.gz BVEAYHQXQSYPKZ-SECBINFHSA-N -1 1 313.321 0.283 20 0 DCADMM O=C(NC[C@@H]1C=CCC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593022644 1167689151 /nfs/dbraw/zinc/68/91/51/1167689151.db2.gz BVEAYHQXQSYPKZ-SECBINFHSA-N -1 1 313.321 0.283 20 0 DCADMM O=C(NC[C@H]1CC[C@@H](O)C1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593029429 1167690722 /nfs/dbraw/zinc/69/07/22/1167690722.db2.gz KDDCLHWEYOSPAV-WCBMZHEXSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@H]1CC[C@@H](O)C1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593029429 1167690725 /nfs/dbraw/zinc/69/07/25/1167690725.db2.gz KDDCLHWEYOSPAV-WCBMZHEXSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@@H]1CCCNC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001593037650 1167693552 /nfs/dbraw/zinc/69/35/52/1167693552.db2.gz JCNGRVJZDAOOJV-QMMMGPOBSA-N -1 1 318.312 0.262 20 0 DCADMM O=C(NC[C@@H]1CCCNC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001593037650 1167693557 /nfs/dbraw/zinc/69/35/57/1167693557.db2.gz JCNGRVJZDAOOJV-QMMMGPOBSA-N -1 1 318.312 0.262 20 0 DCADMM O=C(NCCCNc1cnc(-c2nnn[n-]2)cn1)[C@H]1CC12CC2 ZINC001593076218 1167697637 /nfs/dbraw/zinc/69/76/37/1167697637.db2.gz XUIOWRGGXUQKCQ-SECBINFHSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCCNc1cnc(-c2nn[n-]n2)cn1)[C@H]1CC12CC2 ZINC001593076218 1167697640 /nfs/dbraw/zinc/69/76/40/1167697640.db2.gz XUIOWRGGXUQKCQ-SECBINFHSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccnc(F)c1F ZINC001593146170 1167722709 /nfs/dbraw/zinc/72/27/09/1167722709.db2.gz IILXQTBRIMNTHS-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccnc(F)c1F ZINC001593146170 1167722714 /nfs/dbraw/zinc/72/27/14/1167722714.db2.gz IILXQTBRIMNTHS-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccc2nncn2c1 ZINC001593145952 1167722788 /nfs/dbraw/zinc/72/27/88/1167722788.db2.gz BYKUQFVZDNDGBA-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccc2nncn2c1 ZINC001593145952 1167722796 /nfs/dbraw/zinc/72/27/96/1167722796.db2.gz BYKUQFVZDNDGBA-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1nccn2ccnc12 ZINC001593148286 1167723358 /nfs/dbraw/zinc/72/33/58/1167723358.db2.gz VCLDQTDQFBBVGM-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1nccn2ccnc12 ZINC001593148286 1167723365 /nfs/dbraw/zinc/72/33/65/1167723365.db2.gz VCLDQTDQFBBVGM-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H](O)C1CCCCC1 ZINC001593148888 1167725486 /nfs/dbraw/zinc/72/54/86/1167725486.db2.gz FBJOQIKUMFLKBO-LLVKDONJSA-N -1 1 322.394 0.881 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H](O)C1CCCCC1 ZINC001593148888 1167725490 /nfs/dbraw/zinc/72/54/90/1167725490.db2.gz FBJOQIKUMFLKBO-LLVKDONJSA-N -1 1 322.394 0.881 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N1CCC[C@H](F)C1 ZINC001593150618 1167725596 /nfs/dbraw/zinc/72/55/96/1167725596.db2.gz YIRPNARRIFGERP-ZETCQYMHSA-N -1 1 311.346 0.967 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N1CCC[C@H](F)C1 ZINC001593150618 1167725602 /nfs/dbraw/zinc/72/56/02/1167725602.db2.gz YIRPNARRIFGERP-ZETCQYMHSA-N -1 1 311.346 0.967 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H](O)c1ccc(Cl)cc1 ZINC001593197589 1167735464 /nfs/dbraw/zinc/73/54/64/1167735464.db2.gz MOXYQWKIUOOIKL-VIFPVBQESA-N -1 1 319.712 0.915 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H](O)c1ccc(Cl)cc1 ZINC001593197589 1167735471 /nfs/dbraw/zinc/73/54/71/1167735471.db2.gz MOXYQWKIUOOIKL-VIFPVBQESA-N -1 1 319.712 0.915 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccn2nnnc2c1 ZINC001593202906 1167737710 /nfs/dbraw/zinc/73/77/10/1167737710.db2.gz DLIKQGLVNYPPOR-UHFFFAOYSA-N -1 1 323.276 0.262 20 0 DCADMM O=C(Nn1nnc2c1CCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593276569 1167751603 /nfs/dbraw/zinc/75/16/03/1167751603.db2.gz OTMNMQYIVQRGET-UHFFFAOYSA-N -1 1 311.309 0.116 20 0 DCADMM O=C(Nn1nnc2c1CCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593276569 1167751608 /nfs/dbraw/zinc/75/16/08/1167751608.db2.gz OTMNMQYIVQRGET-UHFFFAOYSA-N -1 1 311.309 0.116 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nnn[n-]2)n1)N1CCCC1 ZINC001593280079 1167756177 /nfs/dbraw/zinc/75/61/77/1167756177.db2.gz DVWUUNAESCVCFF-UHFFFAOYSA-N -1 1 302.294 0.041 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nn[n-]n2)n1)N1CCCC1 ZINC001593280079 1167756181 /nfs/dbraw/zinc/75/61/81/1167756181.db2.gz DVWUUNAESCVCFF-UHFFFAOYSA-N -1 1 302.294 0.041 20 0 DCADMM O=C(O[C@@H]1CCCS(=O)(=O)C1)c1coc(-c2nnn[n-]2)c1 ZINC001593281969 1167758657 /nfs/dbraw/zinc/75/86/57/1167758657.db2.gz UAOQCMJMTLAVRC-MRVPVSSYSA-N -1 1 312.307 0.194 20 0 DCADMM O=C(O[C@@H]1CCCS(=O)(=O)C1)c1coc(-c2nn[n-]n2)c1 ZINC001593281969 1167758664 /nfs/dbraw/zinc/75/86/64/1167758664.db2.gz UAOQCMJMTLAVRC-MRVPVSSYSA-N -1 1 312.307 0.194 20 0 DCADMM O=C(OCCNC(=O)C1CCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593289876 1167759904 /nfs/dbraw/zinc/75/99/04/1167759904.db2.gz FRJTWLBOASYZOI-UHFFFAOYSA-N -1 1 319.321 0.923 20 0 DCADMM O=C(OCCNC(=O)C1CCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593289876 1167759909 /nfs/dbraw/zinc/75/99/09/1167759909.db2.gz FRJTWLBOASYZOI-UHFFFAOYSA-N -1 1 319.321 0.923 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1c1cn[nH]c1 ZINC001593336866 1167779388 /nfs/dbraw/zinc/77/93/88/1167779388.db2.gz HFDNTBRAGWKWSC-GFCCVEGCSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1c1cn[nH]c1 ZINC001593336866 1167779396 /nfs/dbraw/zinc/77/93/96/1167779396.db2.gz HFDNTBRAGWKWSC-GFCCVEGCSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](O)C12CCCC2 ZINC001593347661 1167780616 /nfs/dbraw/zinc/78/06/16/1167780616.db2.gz FHXUQRVZWVZMRR-GFCCVEGCSA-N -1 1 314.349 0.781 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](O)C12CCCC2 ZINC001593347661 1167780626 /nfs/dbraw/zinc/78/06/26/1167780626.db2.gz FHXUQRVZWVZMRR-GFCCVEGCSA-N -1 1 314.349 0.781 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCN(CCCF)CC1 ZINC001593339382 1167781069 /nfs/dbraw/zinc/78/10/69/1167781069.db2.gz PWSRUBYMBJZABQ-UHFFFAOYSA-N -1 1 308.317 0.577 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCN(CCCF)CC1 ZINC001593339382 1167781073 /nfs/dbraw/zinc/78/10/73/1167781073.db2.gz PWSRUBYMBJZABQ-UHFFFAOYSA-N -1 1 308.317 0.577 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@](O)(C(F)F)C1 ZINC001593348200 1167781816 /nfs/dbraw/zinc/78/18/16/1167781816.db2.gz PHOZXGVNLVLONS-GFCCVEGCSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@](O)(C(F)F)C1 ZINC001593348200 1167781825 /nfs/dbraw/zinc/78/18/25/1167781825.db2.gz PHOZXGVNLVLONS-GFCCVEGCSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H](c2ncon2)C1 ZINC001593348688 1167785168 /nfs/dbraw/zinc/78/51/68/1167785168.db2.gz LMJTUBLDTIBCMI-QMMMGPOBSA-N -1 1 312.293 0.274 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H](c2ncon2)C1 ZINC001593348688 1167785177 /nfs/dbraw/zinc/78/51/77/1167785177.db2.gz LMJTUBLDTIBCMI-QMMMGPOBSA-N -1 1 312.293 0.274 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001593349042 1167785952 /nfs/dbraw/zinc/78/59/52/1167785952.db2.gz XDPPYWPKOIYSKW-MFKMUULPSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001593349042 1167785956 /nfs/dbraw/zinc/78/59/56/1167785956.db2.gz XDPPYWPKOIYSKW-MFKMUULPSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@]2(CCOC2=O)C1 ZINC001593362298 1167786817 /nfs/dbraw/zinc/78/68/17/1167786817.db2.gz KVAQJINBAJHWNP-ZDUSSCGKSA-N -1 1 319.346 0.707 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@]2(CCOC2=O)C1 ZINC001593362298 1167786826 /nfs/dbraw/zinc/78/68/26/1167786826.db2.gz KVAQJINBAJHWNP-ZDUSSCGKSA-N -1 1 319.346 0.707 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@](O)(C2CC2)C1 ZINC001593362163 1167789176 /nfs/dbraw/zinc/78/91/76/1167789176.db2.gz JKGWGDRETCNSHA-CYBMUJFWSA-N -1 1 305.363 0.915 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@](O)(C2CC2)C1 ZINC001593362163 1167789181 /nfs/dbraw/zinc/78/91/81/1167789181.db2.gz JKGWGDRETCNSHA-CYBMUJFWSA-N -1 1 305.363 0.915 20 0 DCADMM O=C(c1sccc1-c1nn[nH]n1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001593377036 1167791674 /nfs/dbraw/zinc/79/16/74/1167791674.db2.gz YPZRDEWAHLUZJZ-ZCFIWIBFSA-N -1 1 317.338 0.071 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001593410755 1167822293 /nfs/dbraw/zinc/82/22/93/1167822293.db2.gz QOILBUCJQCOZHX-APPZFPTMSA-N -1 1 318.293 0.030 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001593410755 1167822305 /nfs/dbraw/zinc/82/23/05/1167822305.db2.gz QOILBUCJQCOZHX-APPZFPTMSA-N -1 1 318.293 0.030 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CCC[C@H]1C1CC1 ZINC001593457615 1167847936 /nfs/dbraw/zinc/84/79/36/1167847936.db2.gz ODJBNIMWIPLYJC-JTQLQIEISA-N -1 1 320.378 0.825 20 0 DCADMM O=c1[nH]c2c(cc1CNc1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC001593488692 1167874311 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ZINC001605227042 1169878203 /nfs/dbraw/zinc/87/82/03/1169878203.db2.gz XFYCPMKPUVDYSZ-SSDOTTSWSA-N -1 1 315.297 0.062 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cn1 ZINC001605259207 1169883052 /nfs/dbraw/zinc/88/30/52/1169883052.db2.gz DDPLVCZCUBYSPI-UHFFFAOYSA-N -1 1 300.282 0.554 20 0 DCADMM CCCCCC[C@](O)(CN1C[C@H](CO)O[C@@H](C)C1)C(=O)[O-] ZINC001605265861 1169884040 /nfs/dbraw/zinc/88/40/40/1169884040.db2.gz OGQHAYIXQVGRNL-GUTXKFCHSA-N -1 1 303.399 0.854 20 0 DCADMM COc1ccc(OC)c([C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001605304896 1169891293 /nfs/dbraw/zinc/89/12/93/1169891293.db2.gz UVNDYKUDVNWRJX-JTQLQIEISA-N -1 1 317.309 0.209 20 0 DCADMM COc1cccc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)c1 ZINC001605319920 1169892721 /nfs/dbraw/zinc/89/27/21/1169892721.db2.gz SVDKYVJPDDMUBG-UHFFFAOYSA-N -1 1 300.278 0.186 20 0 DCADMM CCCN(CCS(=O)(=O)CC(=O)OC(C)(C)C)CC(=O)[O-] ZINC001605316371 1169893750 /nfs/dbraw/zinc/89/37/50/1169893750.db2.gz NLMTWTVNUFAZAL-UHFFFAOYSA-N -1 1 323.411 0.540 20 0 DCADMM CS(=O)(=O)c1ccc(COc2cnc(-c3nn[n-]n3)nc2)o1 ZINC001605357962 1169902892 /nfs/dbraw/zinc/90/28/92/1169902892.db2.gz TWAKBAFYIPGCPM-UHFFFAOYSA-N -1 1 322.306 0.232 20 0 DCADMM CCCc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)n[nH]1 ZINC001605369834 1169906767 /nfs/dbraw/zinc/90/67/67/1169906767.db2.gz NQJPXELQVUWGTF-VHSXEESVSA-N -1 1 309.322 0.308 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1=CCCC1 ZINC001605438438 1169920589 /nfs/dbraw/zinc/92/05/89/1169920589.db2.gz XGALIPXOWHOKNM-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1=CCCC1 ZINC001605438438 1169920593 /nfs/dbraw/zinc/92/05/93/1169920593.db2.gz XGALIPXOWHOKNM-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM Cc1c(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cnn1C ZINC001605476677 1169932578 /nfs/dbraw/zinc/93/25/78/1169932578.db2.gz GEMHAZAZPOBQDB-UHFFFAOYSA-N -1 1 303.351 0.900 20 0 DCADMM CCN1CCN(CC(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)CC1 ZINC001605482099 1169936703 /nfs/dbraw/zinc/93/67/03/1169936703.db2.gz NDNYHLHTRZLAOW-XDQVBPFNSA-N -1 1 309.410 0.239 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC(=O)[C@@H](C)C1 ZINC001605507210 1169941369 /nfs/dbraw/zinc/94/13/69/1169941369.db2.gz VMUXHDHCNROMFN-QMMMGPOBSA-N -1 1 316.321 0.327 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)CC(C)(C)O ZINC001605504520 1169941711 /nfs/dbraw/zinc/94/17/11/1169941711.db2.gz CYVHIXVOEQABNN-UHFFFAOYSA-N -1 1 306.326 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)c1cn[nH]c1 ZINC001605506532 1169942153 /nfs/dbraw/zinc/94/21/53/1169942153.db2.gz CPMSKIHWSGLIJX-SSDOTTSWSA-N -1 1 314.309 0.490 20 0 DCADMM CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1CCC(=O)N(C)CC(=O)[O-] ZINC001605558531 1169959659 /nfs/dbraw/zinc/95/96/59/1169959659.db2.gz URZHSRXWNXVEMR-WDMOLILDSA-N -1 1 312.366 0.336 20 0 DCADMM CCOC(=O)c1ccc(CN[C@@]2(CC(=O)[O-])CCOC2)nc1 ZINC001605571533 1169963250 /nfs/dbraw/zinc/96/32/50/1169963250.db2.gz RGGNKAGCTOQEFZ-OAHLLOKOSA-N -1 1 308.334 0.982 20 0 DCADMM Cc1cc(C)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1C=O ZINC001605641055 1169981016 /nfs/dbraw/zinc/98/10/16/1169981016.db2.gz RIXPWZUONWESMM-UHFFFAOYSA-N -1 1 311.305 0.763 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001605802865 1170004376 /nfs/dbraw/zinc/00/43/76/1170004376.db2.gz LWMCHCGTAFDFMA-STQMWFEESA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001605802865 1170004380 /nfs/dbraw/zinc/00/43/80/1170004380.db2.gz LWMCHCGTAFDFMA-STQMWFEESA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)o1 ZINC001605819382 1170008761 /nfs/dbraw/zinc/00/87/61/1170008761.db2.gz HSJRXQKYUKRDFL-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1ccc(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)o1 ZINC001605819382 1170008763 /nfs/dbraw/zinc/00/87/63/1170008763.db2.gz HSJRXQKYUKRDFL-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1ccc(CCNC(=O)c2cccc(-c3nnn[n-]3)n2)cn1 ZINC001605843349 1170010320 /nfs/dbraw/zinc/01/03/20/1170010320.db2.gz BLKVLPDEBUNFGJ-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1ccc(CCNC(=O)c2cccc(-c3nn[n-]n3)n2)cn1 ZINC001605843349 1170010324 /nfs/dbraw/zinc/01/03/24/1170010324.db2.gz BLKVLPDEBUNFGJ-UHFFFAOYSA-N -1 1 309.333 0.938 20 0 DCADMM Cc1ccc(N(C)CCNC(=O)C(C)C)c(-c2nnn[n-]2)n1 ZINC001605866073 1170017153 /nfs/dbraw/zinc/01/71/53/1170017153.db2.gz IIPJJSTUMNMALR-UHFFFAOYSA-N -1 1 303.370 0.779 20 0 DCADMM Cc1ccc(N(C)CCNC(=O)C(C)C)c(-c2nn[n-]n2)n1 ZINC001605866073 1170017160 /nfs/dbraw/zinc/01/71/60/1170017160.db2.gz IIPJJSTUMNMALR-UHFFFAOYSA-N -1 1 303.370 0.779 20 0 DCADMM Cc1ccc(N[C@H]2CC(=O)N(C(C)C)C2)c(-c2nnn[n-]2)n1 ZINC001605871168 1170017821 /nfs/dbraw/zinc/01/78/21/1170017821.db2.gz BLIFYIIHLCYQEE-JTQLQIEISA-N -1 1 301.354 0.991 20 0 DCADMM Cc1ccc(N[C@H]2CC(=O)N(C(C)C)C2)c(-c2nn[n-]n2)n1 ZINC001605871168 1170017825 /nfs/dbraw/zinc/01/78/25/1170017825.db2.gz BLIFYIIHLCYQEE-JTQLQIEISA-N -1 1 301.354 0.991 20 0 DCADMM Cc1ccc(N[C@@H]2CC(=O)N(C(C)C)C2)c(-c2nnn[n-]2)n1 ZINC001605871169 1170018175 /nfs/dbraw/zinc/01/81/75/1170018175.db2.gz BLIFYIIHLCYQEE-SNVBAGLBSA-N -1 1 301.354 0.991 20 0 DCADMM Cc1ccc(N[C@@H]2CC(=O)N(C(C)C)C2)c(-c2nn[n-]n2)n1 ZINC001605871169 1170018180 /nfs/dbraw/zinc/01/81/80/1170018180.db2.gz BLIFYIIHLCYQEE-SNVBAGLBSA-N -1 1 301.354 0.991 20 0 DCADMM Cc1ccn(Cn2nnc3ccccc32)c(=O)c1-c1nn[n-]n1 ZINC001605952725 1170033577 /nfs/dbraw/zinc/03/35/77/1170033577.db2.gz DMMLDYYTTTYHMW-UHFFFAOYSA-N -1 1 308.305 0.587 20 0 DCADMM CN(C(=O)CCCCc1c[nH]nn1)[C@H](COC1CCC1)C(=O)[O-] ZINC001605958588 1170037070 /nfs/dbraw/zinc/03/70/70/1170037070.db2.gz WSZARVKIDUZERP-CYBMUJFWSA-N -1 1 324.381 0.998 20 0 DCADMM CN(CC(=O)N(C)c1ccccc1C(=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC001605961226 1170037489 /nfs/dbraw/zinc/03/74/89/1170037489.db2.gz WEPYWUUZWIDPDK-PHIMTYICSA-N -1 1 319.361 0.543 20 0 DCADMM Cc1[nH]nc(NC(=O)C2(c3ccccn3)CC2)c1-c1nn[n-]n1 ZINC001606013735 1170048938 /nfs/dbraw/zinc/04/89/38/1170048938.db2.gz WVNHCHLIKNKNFL-UHFFFAOYSA-N -1 1 310.321 0.964 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H](C)C2CCOCC2)c1-c1nn[n-]n1 ZINC001606013657 1170049566 /nfs/dbraw/zinc/04/95/66/1170049566.db2.gz UGISERPQZQWDIQ-ZETCQYMHSA-N -1 1 305.342 0.899 20 0 DCADMM Cc1[nH]nc(NCc2ccc3c(c2)nnn3C)c1-c1nnn[n-]1 ZINC001606013791 1170050253 /nfs/dbraw/zinc/05/02/53/1170050253.db2.gz JPFFJANOTFFKSR-UHFFFAOYSA-N -1 1 310.325 0.792 20 0 DCADMM Cc1[nH]nc(NCc2ccc3c(c2)nnn3C)c1-c1nn[n-]n1 ZINC001606013791 1170050254 /nfs/dbraw/zinc/05/02/54/1170050254.db2.gz JPFFJANOTFFKSR-UHFFFAOYSA-N -1 1 310.325 0.792 20 0 DCADMM Cc1nc(N[C@@H](CCO)C2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001606059646 1170067819 /nfs/dbraw/zinc/06/78/19/1170067819.db2.gz COVOZXCCTQHAMI-NSHDSACASA-N -1 1 319.369 0.555 20 0 DCADMM Cc1nc(N[C@@H](CCO)C2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001606059646 1170067823 /nfs/dbraw/zinc/06/78/23/1170067823.db2.gz COVOZXCCTQHAMI-NSHDSACASA-N -1 1 319.369 0.555 20 0 DCADMM CN(CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])[C@@H]1CCC[C@H]1O ZINC001606080490 1170072125 /nfs/dbraw/zinc/07/21/25/1170072125.db2.gz GKARJJCPAOBJGA-JXFSHQFZSA-N -1 1 312.410 0.981 20 0 DCADMM Cc1nn(C)c(C)c1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001606108923 1170078550 /nfs/dbraw/zinc/07/85/50/1170078550.db2.gz HGIWEZKTJRJSSB-UHFFFAOYSA-N -1 1 301.310 0.740 20 0 DCADMM Cc1nn(C)c(C)c1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001606108923 1170078553 /nfs/dbraw/zinc/07/85/53/1170078553.db2.gz HGIWEZKTJRJSSB-UHFFFAOYSA-N -1 1 301.310 0.740 20 0 DCADMM Cc1nnc2n1CCN(C(=O)c1ccc(-c3nnn[n-]3)o1)[C@H]2C ZINC001606125176 1170084218 /nfs/dbraw/zinc/08/42/18/1170084218.db2.gz XEPJPUVSNSFQLJ-ZETCQYMHSA-N -1 1 314.309 0.577 20 0 DCADMM Cc1nnc2n1CCN(C(=O)c1ccc(-c3nn[n-]n3)o1)[C@H]2C ZINC001606125176 1170084222 /nfs/dbraw/zinc/08/42/22/1170084222.db2.gz XEPJPUVSNSFQLJ-ZETCQYMHSA-N -1 1 314.309 0.577 20 0 DCADMM Cc1nsc(NC(=O)N2CCC[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001606149641 1170095850 /nfs/dbraw/zinc/09/58/50/1170095850.db2.gz XIRPJUVTKNSUMH-QMMMGPOBSA-N -1 1 323.382 0.868 20 0 DCADMM Cc1nsc(NC(=O)N2CCC[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001606149641 1170095856 /nfs/dbraw/zinc/09/58/56/1170095856.db2.gz XIRPJUVTKNSUMH-QMMMGPOBSA-N -1 1 323.382 0.868 20 0 DCADMM Cc1nsc(NC(=O)NC2CCOCC2)c1-c1nnn[n-]1 ZINC001606151974 1170096487 /nfs/dbraw/zinc/09/64/87/1170096487.db2.gz LNELUWDDNLMGLR-UHFFFAOYSA-N -1 1 309.355 0.932 20 0 DCADMM Cc1nsc(NC(=O)NC2CCOCC2)c1-c1nn[n-]n1 ZINC001606151974 1170096490 /nfs/dbraw/zinc/09/64/90/1170096490.db2.gz LNELUWDDNLMGLR-UHFFFAOYSA-N -1 1 309.355 0.932 20 0 DCADMM Cc1nsc(NCC[C@@]2(O)CCCOC2)c1-c1nn[n-]n1 ZINC001606159532 1170098636 /nfs/dbraw/zinc/09/86/36/1170098636.db2.gz YUEBZGBSYZWHKI-LBPRGKRZSA-N -1 1 310.383 0.975 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@]1(O)CCO[C@H]1C ZINC001606167267 1170099932 /nfs/dbraw/zinc/09/99/32/1170099932.db2.gz KHTLPVRUCIJTHC-SDBXPKJASA-N -1 1 307.310 0.038 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@]1(O)CCO[C@H]1C ZINC001606167267 1170099939 /nfs/dbraw/zinc/09/99/39/1170099939.db2.gz KHTLPVRUCIJTHC-SDBXPKJASA-N -1 1 307.310 0.038 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1CCN(C(C)C)C1=O ZINC001606168951 1170101309 /nfs/dbraw/zinc/10/13/09/1170101309.db2.gz CCOSDOUGBSYJSC-SNVBAGLBSA-N -1 1 319.321 0.934 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1CCN(C(C)C)C1=O ZINC001606168951 1170101312 /nfs/dbraw/zinc/10/13/12/1170101312.db2.gz CCOSDOUGBSYJSC-SNVBAGLBSA-N -1 1 319.321 0.934 20 0 DCADMM Cc1oc(NC(=O)CN2CC=C[C@@H]2CO)c(-c2nn[n-]n2)c1C ZINC001606174874 1170102332 /nfs/dbraw/zinc/10/23/32/1170102332.db2.gz OGCCJAHRHAJRPS-SNVBAGLBSA-N -1 1 318.337 0.248 20 0 DCADMM Cn1c(=O)[nH]c(N2CCC[C@@H]2C2CCC2)c(-c2nn[n-]n2)c1=O ZINC001606201540 1170110134 /nfs/dbraw/zinc/11/01/34/1170110134.db2.gz CIRPMUAMPDBTMH-SECBINFHSA-N -1 1 317.353 0.023 20 0 DCADMM CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001606203693 1170111197 /nfs/dbraw/zinc/11/11/97/1170111197.db2.gz AFOZQGFXIAIFMX-BBRMVZONSA-N -1 1 306.362 0.499 20 0 DCADMM Cn1c(C=O)ccc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606216982 1170118950 /nfs/dbraw/zinc/11/89/50/1170118950.db2.gz XWAAFAOEUZHSBR-UHFFFAOYSA-N -1 1 317.334 0.404 20 0 DCADMM Cn1c(C=O)ccc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606216982 1170118955 /nfs/dbraw/zinc/11/89/55/1170118955.db2.gz XWAAFAOEUZHSBR-UHFFFAOYSA-N -1 1 317.334 0.404 20 0 DCADMM C[N@H+]1CCN(C(=O)c2cccc3n[nH]cc32)C[C@H](C(=O)[O-])C1 ZINC001606236230 1170129950 /nfs/dbraw/zinc/12/99/50/1170129950.db2.gz UPNKZYSSYLTWDG-SNVBAGLBSA-N -1 1 302.334 0.651 20 0 DCADMM CNC(=O)CN1CCCN(Cc2cc(C(=O)[O-])cs2)CC1 ZINC001606270297 1170144514 /nfs/dbraw/zinc/14/45/14/1170144514.db2.gz COSQMGRSZBWEOB-UHFFFAOYSA-N -1 1 311.407 0.700 20 0 DCADMM CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001606277878 1170145166 /nfs/dbraw/zinc/14/51/66/1170145166.db2.gz HEWSTVLFSXADGT-BDJLRTHQSA-N -1 1 319.361 0.559 20 0 DCADMM Cn1nccc1[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606281170 1170148202 /nfs/dbraw/zinc/14/82/02/1170148202.db2.gz RVLKPKHOPZQLHJ-CYBMUJFWSA-N -1 1 324.348 0.973 20 0 DCADMM Cn1nccc1[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606281170 1170148205 /nfs/dbraw/zinc/14/82/05/1170148205.db2.gz RVLKPKHOPZQLHJ-CYBMUJFWSA-N -1 1 324.348 0.973 20 0 DCADMM COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)C[C@@H]1C(=O)[O-] ZINC001606428874 1170197120 /nfs/dbraw/zinc/19/71/20/1170197120.db2.gz HGUCTNOLTHQZED-DTWKUNHWSA-N -1 1 313.331 0.752 20 0 DCADMM COC(=O)CC[C@@H](C(=O)[O-])N1CCO[C@]2(CCSC2)C1 ZINC001606449757 1170207177 /nfs/dbraw/zinc/20/71/77/1170207177.db2.gz PIHYTVKFIHONIX-GXFFZTMASA-N -1 1 303.380 0.601 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccnc(-c2ncc[nH]2)c1 ZINC001606446037 1170204130 /nfs/dbraw/zinc/20/41/30/1170204130.db2.gz CZLHRWIASREUEJ-UHFFFAOYSA-N -1 1 322.292 0.119 20 0 DCADMM O=C(CCC(=O)c1ccccn1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606508248 1170223686 /nfs/dbraw/zinc/22/36/86/1170223686.db2.gz KXYFSHQSJFTFED-UHFFFAOYSA-N -1 1 312.293 0.586 20 0 DCADMM O=C(CCC(=O)c1ccccn1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606508248 1170223693 /nfs/dbraw/zinc/22/36/93/1170223693.db2.gz KXYFSHQSJFTFED-UHFFFAOYSA-N -1 1 312.293 0.586 20 0 DCADMM O=C(CCCCO)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606512316 1170224137 /nfs/dbraw/zinc/22/41/37/1170224137.db2.gz FONBUPIXVGLSKZ-UHFFFAOYSA-N -1 1 311.292 0.924 20 0 DCADMM O=C(CCCCO)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606512316 1170224142 /nfs/dbraw/zinc/22/41/42/1170224142.db2.gz FONBUPIXVGLSKZ-UHFFFAOYSA-N -1 1 311.292 0.924 20 0 DCADMM O=C(CCCF)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001606519622 1170227211 /nfs/dbraw/zinc/22/72/11/1170227211.db2.gz QRGQBQVPPOSTGL-VIFPVBQESA-N -1 1 320.332 0.101 20 0 DCADMM O=C(CCCF)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001606519622 1170227216 /nfs/dbraw/zinc/22/72/16/1170227216.db2.gz QRGQBQVPPOSTGL-VIFPVBQESA-N -1 1 320.332 0.101 20 0 DCADMM COC(=O)c1cc(CN2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)[nH]c1C ZINC001606542318 1170232106 /nfs/dbraw/zinc/23/21/06/1170232106.db2.gz WMIUTTWJUYGRBG-RYUDHWBXSA-N -1 1 324.333 0.415 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N(CCO)C1CCC1 ZINC001606594327 1170238167 /nfs/dbraw/zinc/23/81/67/1170238167.db2.gz ZLYMEYDMRMFXIK-UHFFFAOYSA-N -1 1 302.338 0.178 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N(CCO)C1CCC1 ZINC001606594327 1170238176 /nfs/dbraw/zinc/23/81/76/1170238176.db2.gz ZLYMEYDMRMFXIK-UHFFFAOYSA-N -1 1 302.338 0.178 20 0 DCADMM O=C(Cc1ccccc1)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001606604261 1170242416 /nfs/dbraw/zinc/24/24/16/1170242416.db2.gz MMQMBEXMKVBQGT-UHFFFAOYSA-N -1 1 324.348 0.428 20 0 DCADMM O=C(Cc1ccccc1)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001606604261 1170242420 /nfs/dbraw/zinc/24/24/20/1170242420.db2.gz MMQMBEXMKVBQGT-UHFFFAOYSA-N -1 1 324.348 0.428 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)c1ccncc1Cl ZINC001606620561 1170244871 /nfs/dbraw/zinc/24/48/71/1170244871.db2.gz KZJOCFASFCZSMH-UHFFFAOYSA-N -1 1 317.696 0.355 20 0 DCADMM O=C(N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc(-c2nnn[n-]2)nc1 ZINC001606648474 1170250717 /nfs/dbraw/zinc/25/07/17/1170250717.db2.gz UTXMYKXCNQXWQS-CXWACVEQSA-N -1 1 312.333 0.415 20 0 DCADMM O=C(N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc(-c2nn[n-]n2)nc1 ZINC001606648474 1170250725 /nfs/dbraw/zinc/25/07/25/1170250725.db2.gz UTXMYKXCNQXWQS-CXWACVEQSA-N -1 1 312.333 0.415 20 0 DCADMM O=C(NC1(CO)CCC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606640024 1170251403 /nfs/dbraw/zinc/25/14/03/1170251403.db2.gz KMXAYPBCVMRJAJ-UHFFFAOYSA-N -1 1 312.333 0.993 20 0 DCADMM O=C(N[C@H]1CCN(CC(F)F)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606673937 1170258512 /nfs/dbraw/zinc/25/85/12/1170258512.db2.gz IIVREHSTTVUGLB-VIFPVBQESA-N -1 1 323.307 0.331 20 0 DCADMM O=C(N[C@H]1CCN(CC(F)F)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606673937 1170258516 /nfs/dbraw/zinc/25/85/16/1170258516.db2.gz IIVREHSTTVUGLB-VIFPVBQESA-N -1 1 323.307 0.331 20 0 DCADMM CO[C@@]1(C(=O)[O-])CCN([C@H]2CC(=O)N(CCC(C)C)C2=O)C1 ZINC001606702435 1170268587 /nfs/dbraw/zinc/26/85/87/1170268587.db2.gz AQPAPWHQXFRLAA-NHYWBVRUSA-N -1 1 312.366 0.336 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)C1=CCCC1 ZINC001606783528 1170287782 /nfs/dbraw/zinc/28/77/82/1170287782.db2.gz JGVUSTSYJRFIGP-UHFFFAOYSA-N -1 1 300.326 0.295 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)C1=CCCC1 ZINC001606783528 1170287785 /nfs/dbraw/zinc/28/77/85/1170287785.db2.gz JGVUSTSYJRFIGP-UHFFFAOYSA-N -1 1 300.326 0.295 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)[C@]12C[C@H]1CCC2 ZINC001606783299 1170288184 /nfs/dbraw/zinc/28/81/84/1170288184.db2.gz GENDMGJHJKTDQO-YMTOWFKASA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)[C@]12C[C@H]1CCC2 ZINC001606783299 1170288191 /nfs/dbraw/zinc/28/81/91/1170288191.db2.gz GENDMGJHJKTDQO-YMTOWFKASA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H](O)c1ccccc1 ZINC001606842207 1170309389 /nfs/dbraw/zinc/30/93/89/1170309389.db2.gz LLNYXDDQXKAZRU-ZDUSSCGKSA-N -1 1 310.317 0.612 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H](O)c1ccccc1 ZINC001606842207 1170309400 /nfs/dbraw/zinc/30/94/00/1170309400.db2.gz LLNYXDDQXKAZRU-ZDUSSCGKSA-N -1 1 310.317 0.612 20 0 DCADMM O=C(NCc1nccn1C(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001606847626 1170312761 /nfs/dbraw/zinc/31/27/61/1170312761.db2.gz BMRQSWACUSBEFN-UHFFFAOYSA-N -1 1 309.236 0.981 20 0 DCADMM O=C(NCc1nccn1C(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001606847626 1170312765 /nfs/dbraw/zinc/31/27/65/1170312765.db2.gz BMRQSWACUSBEFN-UHFFFAOYSA-N -1 1 309.236 0.981 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cnc2cnccc2c1 ZINC001606893669 1170324610 /nfs/dbraw/zinc/32/46/10/1170324610.db2.gz ZITLZRUFNWRKAU-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cnc2cnccc2c1 ZINC001606893669 1170324615 /nfs/dbraw/zinc/32/46/15/1170324615.db2.gz ZITLZRUFNWRKAU-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1ccc[n+]([O-])c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606929659 1170332728 /nfs/dbraw/zinc/33/27/28/1170332728.db2.gz DNZGNYXDIGEVAY-UHFFFAOYSA-N -1 1 300.253 0.892 20 0 DCADMM O=C(Nc1ccc[n+]([O-])c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606929659 1170332735 /nfs/dbraw/zinc/33/27/35/1170332735.db2.gz DNZGNYXDIGEVAY-UHFFFAOYSA-N -1 1 300.253 0.892 20 0 DCADMM COC[C@H](N)C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001606937632 1170334570 /nfs/dbraw/zinc/33/45/70/1170334570.db2.gz BSYROAPEJXFMCH-UWVGGRQHSA-N -1 1 320.267 0.921 20 0 DCADMM O=C(OCCCN1CCCC1=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001606968822 1170342989 /nfs/dbraw/zinc/34/29/89/1170342989.db2.gz RJXCAWCBOSDMDH-UHFFFAOYSA-N -1 1 316.321 0.431 20 0 DCADMM O=C(OCCCN1CCCC1=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001606968822 1170342997 /nfs/dbraw/zinc/34/29/97/1170342997.db2.gz RJXCAWCBOSDMDH-UHFFFAOYSA-N -1 1 316.321 0.431 20 0 DCADMM O=C(OCc1cc(=O)c(O)co1)c1cccc(-c2nnn[n-]2)n1 ZINC001606975581 1170343714 /nfs/dbraw/zinc/34/37/14/1170343714.db2.gz UGACFDBTIRFQQM-UHFFFAOYSA-N -1 1 315.245 0.278 20 0 DCADMM O=C(OCc1cc(=O)c(O)co1)c1cccc(-c2nn[n-]n2)n1 ZINC001606975581 1170343719 /nfs/dbraw/zinc/34/37/19/1170343719.db2.gz UGACFDBTIRFQQM-UHFFFAOYSA-N -1 1 315.245 0.278 20 0 DCADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001606982762 1170345350 /nfs/dbraw/zinc/34/53/50/1170345350.db2.gz VQDUWZYGYVIPHA-JMJZKYOTSA-N -1 1 313.317 0.920 20 0 DCADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001606982762 1170345355 /nfs/dbraw/zinc/34/53/55/1170345355.db2.gz VQDUWZYGYVIPHA-JMJZKYOTSA-N -1 1 313.317 0.920 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@H]1C(F)(F)F ZINC001607017175 1170356437 /nfs/dbraw/zinc/35/64/37/1170356437.db2.gz MYBFUYMBXRZVSK-VIFPVBQESA-N -1 1 303.200 0.821 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@H]1C(F)(F)F ZINC001607017175 1170356445 /nfs/dbraw/zinc/35/64/45/1170356445.db2.gz MYBFUYMBXRZVSK-VIFPVBQESA-N -1 1 303.200 0.821 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@](O)(C2CC2)C1 ZINC001607022386 1170359269 /nfs/dbraw/zinc/35/92/69/1170359269.db2.gz PAJBPLXDXVTEHW-HNNXBMFYSA-N -1 1 317.324 0.993 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@](O)(C2CC2)C1 ZINC001607022386 1170359274 /nfs/dbraw/zinc/35/92/74/1170359274.db2.gz PAJBPLXDXVTEHW-HNNXBMFYSA-N -1 1 317.324 0.993 20 0 DCADMM O=C1CCN(c2nccnc2-c2nnn[n-]2)CCCCCN1 ZINC001607045967 1170366362 /nfs/dbraw/zinc/36/63/62/1170366362.db2.gz QBMWPWKXBCWENJ-UHFFFAOYSA-N -1 1 302.342 0.153 20 0 DCADMM O=C1CCN(c2nccnc2-c2nn[n-]n2)CCCCCN1 ZINC001607045967 1170366367 /nfs/dbraw/zinc/36/63/67/1170366367.db2.gz QBMWPWKXBCWENJ-UHFFFAOYSA-N -1 1 302.342 0.153 20 0 DCADMM O=C1Cc2ccccc2N1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001607050159 1170370266 /nfs/dbraw/zinc/37/02/66/1170370266.db2.gz PRDZOHWWBQGCIH-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM O=C1Cc2ccccc2N1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001607050159 1170370271 /nfs/dbraw/zinc/37/02/71/1170370271.db2.gz PRDZOHWWBQGCIH-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM O=CNc1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607056626 1170374081 /nfs/dbraw/zinc/37/40/81/1170374081.db2.gz ZGANXXDYWDSDDZ-UHFFFAOYSA-N -1 1 323.316 0.760 20 0 DCADMM O=CNc1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607056626 1170374085 /nfs/dbraw/zinc/37/40/85/1170374085.db2.gz ZGANXXDYWDSDDZ-UHFFFAOYSA-N -1 1 323.316 0.760 20 0 DCADMM O[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H]2CCCC[C@H]12 ZINC001607099996 1170393744 /nfs/dbraw/zinc/39/37/44/1170393744.db2.gz PTPOUXICAWMELP-ZMLRMANQSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H]2CCCC[C@H]12 ZINC001607099996 1170393751 /nfs/dbraw/zinc/39/37/51/1170393751.db2.gz PTPOUXICAWMELP-ZMLRMANQSA-N -1 1 301.354 0.787 20 0 DCADMM S=C(NCCn1cnc(-c2nn[n-]n2)n1)NC1CCCCC1 ZINC001607112512 1170402288 /nfs/dbraw/zinc/40/22/88/1170402288.db2.gz VQHGRMQCSBSPOB-UHFFFAOYSA-N -1 1 321.414 0.255 20 0 DCADMM c1cc([C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001607117884 1170403199 /nfs/dbraw/zinc/40/31/99/1170403199.db2.gz KYLPGXIVYWZDAE-JTQLQIEISA-N -1 1 309.337 0.831 20 0 DCADMM c1cc([C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)ncn1 ZINC001607117884 1170403203 /nfs/dbraw/zinc/40/32/03/1170403203.db2.gz KYLPGXIVYWZDAE-JTQLQIEISA-N -1 1 309.337 0.831 20 0 DCADMM c1cc(NCc2nnc3n2CCCCC3)nc(-c2nn[n-]n2)n1 ZINC001607121000 1170404755 /nfs/dbraw/zinc/40/47/55/1170404755.db2.gz KPORFDZGCDJZNX-UHFFFAOYSA-N -1 1 312.341 0.009 20 0 DCADMM c1c(-c2nn[n-]n2)nnn1CCOCCOc1ccccc1 ZINC001607130967 1170406067 /nfs/dbraw/zinc/40/60/67/1170406067.db2.gz OUGCEFMYYOOIEM-UHFFFAOYSA-N -1 1 301.310 0.554 20 0 DCADMM c1nc(C2OCCO2)sc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001607137318 1170407461 /nfs/dbraw/zinc/40/74/61/1170407461.db2.gz PGJSEHCHWPDCJE-UHFFFAOYSA-N -1 1 320.338 0.704 20 0 DCADMM c1nc(C2OCCO2)sc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001607137318 1170407465 /nfs/dbraw/zinc/40/74/65/1170407465.db2.gz PGJSEHCHWPDCJE-UHFFFAOYSA-N -1 1 320.338 0.704 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCOC[C@@H]2C[C@H]2CCCO2)n1 ZINC001607136386 1170407662 /nfs/dbraw/zinc/40/76/62/1170407662.db2.gz FBPWYSTXKODPKJ-WDEREUQCSA-N -1 1 317.353 0.431 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCOC[C@@H]2C[C@H]2CCCO2)n1 ZINC001607136386 1170407666 /nfs/dbraw/zinc/40/76/66/1170407666.db2.gz 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CC(C)(F)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2 ZINC001047008806 754063232 /nfs/dbraw/zinc/06/32/32/754063232.db2.gz VPMAQPLCUROUGT-AEJSXWLSSA-N -1 1 311.361 0.728 20 0 DCADMM CC[C@H](CC(C)C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001113508817 762336506 /nfs/dbraw/zinc/33/65/06/762336506.db2.gz QPTUIDOXOCFWFI-CYBMUJFWSA-N -1 1 323.441 0.825 20 0 DCADMM COCCCC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001062622473 754822880 /nfs/dbraw/zinc/82/28/80/754822880.db2.gz BGJHUPVBKGCYIY-UHFFFAOYSA-N -1 1 321.377 0.983 20 0 DCADMM CC(C)=CC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1nc(=O)n(C)[n-]1 ZINC001049294096 755217443 /nfs/dbraw/zinc/21/74/43/755217443.db2.gz YIIZAFNPJCJIKY-OLZOCXBDSA-N -1 1 319.409 0.640 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1nc(=O)n(C)[n-]1 ZINC001049651832 755348990 /nfs/dbraw/zinc/34/89/90/755348990.db2.gz NFOWQVOOVCNDDS-CYDGBPFRSA-N -1 1 319.409 0.330 20 0 DCADMM CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001049927920 755451086 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DCADMM CC(C)CN1CC2(C1)CN(C(=O)c1ncccc1[O-])CCO2 ZINC001053232316 755965880 /nfs/dbraw/zinc/96/58/80/755965880.db2.gz KYAGYXNKMGWUHA-UHFFFAOYSA-N -1 1 305.378 0.970 20 0 DCADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NCc3n[nH]c(=O)[n-]3)C2)o1 ZINC001054363351 756453171 /nfs/dbraw/zinc/45/31/71/756453171.db2.gz OUPQKRPKGHIWCU-SCZZXKLOSA-N -1 1 305.338 0.662 20 0 DCADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)n1C ZINC001054373900 756459605 /nfs/dbraw/zinc/45/96/05/756459605.db2.gz MKJWASPSALGSBW-MWLCHTKSSA-N -1 1 318.381 0.408 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc(F)nc2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054482565 756504182 /nfs/dbraw/zinc/50/41/82/756504182.db2.gz ZADWGKURFQCAPK-WCBMZHEXSA-N -1 1 320.328 0.295 20 0 DCADMM C[C@H]1CN(C(=O)C2=COCCC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054504387 756518739 /nfs/dbraw/zinc/51/87/39/756518739.db2.gz YYBCOGVQXRICTL-ONGXEEELSA-N -1 1 307.354 0.141 20 0 DCADMM Cc1noc(CN[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)n1 ZINC001054591956 756556574 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ZINC001422633286 1010429090 /nfs/dbraw/zinc/42/90/90/1010429090.db2.gz NVQUTCLKRLUFDU-VIFPVBQESA-N -1 1 306.370 0.548 20 0 DCADMM CN(C(=O)c1cccnc1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001422966211 1010771673 /nfs/dbraw/zinc/77/16/73/1010771673.db2.gz QZPYHHKYURFRLT-GFCCVEGCSA-N -1 1 316.365 0.546 20 0 DCADMM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1ncccc1[O-])C1CCC1 ZINC001444148478 1010882213 /nfs/dbraw/zinc/88/22/13/1010882213.db2.gz BUTQAOAEPBBOGY-ZYHUDNBSSA-N -1 1 321.377 0.430 20 0 DCADMM CCCC(C)(C)C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001423112750 1010897999 /nfs/dbraw/zinc/89/79/99/1010897999.db2.gz MNPDUHNROLJFIO-LLVKDONJSA-N -1 1 309.414 0.625 20 0 DCADMM C[C@@H](C(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1)c1cccnc1 ZINC001423143271 1010921264 /nfs/dbraw/zinc/92/12/64/1010921264.db2.gz AXQJOFYBOIPZLC-WDEREUQCSA-N -1 1 318.381 0.646 20 0 DCADMM COCCCNC(=O)C1CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001444260700 1010926883 /nfs/dbraw/zinc/92/68/83/1010926883.db2.gz HCLBHPBGALLFSN-UHFFFAOYSA-N -1 1 321.377 0.792 20 0 DCADMM CSc1ncc(C(=O)N[C@H](C)CC[S@](C)=O)c(=O)[n-]1 ZINC001444853002 1011187992 /nfs/dbraw/zinc/18/79/92/1011187992.db2.gz GYOSCFIKJPIZQU-XJZHNMMOSA-N -1 1 303.409 0.791 20 0 DCADMM CCCC(=O)N[C@@]1(C)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001423540756 1011228730 /nfs/dbraw/zinc/22/87/30/1011228730.db2.gz DQOCENGXNPYWIX-INIZCTEOSA-N -1 1 317.393 0.903 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)[n-]n1 ZINC001423556499 1011256052 /nfs/dbraw/zinc/25/60/52/1011256052.db2.gz GQDWUBYNGYRSMP-VIFPVBQESA-N -1 1 324.362 0.763 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)n[n-]1 ZINC001423556499 1011256066 /nfs/dbraw/zinc/25/60/66/1011256066.db2.gz GQDWUBYNGYRSMP-VIFPVBQESA-N -1 1 324.362 0.763 20 0 DCADMM Cn1cnc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C(C)(C)C)c1 ZINC001423599122 1011331910 /nfs/dbraw/zinc/33/19/10/1011331910.db2.gz HKXSDMRYROJBHW-JTQLQIEISA-N -1 1 321.385 0.178 20 0 DCADMM CN(CCN(C)C(=O)C1(C)CCCCC1)Cc1nc(=O)n(C)[n-]1 ZINC001445025526 1011333212 /nfs/dbraw/zinc/33/32/12/1011333212.db2.gz HVQAWGCLQKLZAM-UHFFFAOYSA-N -1 1 323.441 0.969 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)[n-]n1 ZINC001423722072 1011451500 /nfs/dbraw/zinc/45/15/00/1011451500.db2.gz RFDYGLRHJLHIKS-RKDXNWHRSA-N -1 1 317.367 0.026 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)n[n-]1 ZINC001423722072 1011451511 /nfs/dbraw/zinc/45/15/11/1011451511.db2.gz RFDYGLRHJLHIKS-RKDXNWHRSA-N -1 1 317.367 0.026 20 0 DCADMM CC[C@H](CNC(=O)c1ccn(C)n1)NC(=O)c1ncccc1[O-] ZINC001456801461 1011470254 /nfs/dbraw/zinc/47/02/54/1011470254.db2.gz LFMLPJWJRHHJPZ-SNVBAGLBSA-N -1 1 317.349 0.459 20 0 DCADMM COc1cnc([C@@H]2CCCN2C(=O)Cc2nonc2C)[n-]c1=O ZINC001456844312 1011487226 /nfs/dbraw/zinc/48/72/26/1011487226.db2.gz BFTMAPHEIIVCKM-JTQLQIEISA-N -1 1 319.321 0.788 20 0 DCADMM Cc1c[nH]c(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001431644067 1011498622 /nfs/dbraw/zinc/49/86/22/1011498622.db2.gz BZPDNMJDVWNQQI-SECBINFHSA-N -1 1 303.322 0.367 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(F)c[nH]1 ZINC001431687154 1011543481 /nfs/dbraw/zinc/54/34/81/1011543481.db2.gz TXNNQGYFIAIGGI-MRVPVSSYSA-N -1 1 306.297 0.803 20 0 DCADMM Cc1noc(C)c1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001431770220 1011631194 /nfs/dbraw/zinc/63/11/94/1011631194.db2.gz FPNCFRLXDTUBTQ-QMMMGPOBSA-N -1 1 318.333 0.940 20 0 DCADMM Cc1ccn(CC(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001431797103 1011661107 /nfs/dbraw/zinc/66/11/07/1011661107.db2.gz BRHVXXRIFLCHGE-NSHDSACASA-N -1 1 317.349 0.227 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC=CO2)[n-]n1 ZINC001423937902 1011751917 /nfs/dbraw/zinc/75/19/17/1011751917.db2.gz DDHSMNZYHFSQEM-MRVPVSSYSA-N -1 1 301.324 0.167 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC=CO2)n[n-]1 ZINC001423937902 1011751927 /nfs/dbraw/zinc/75/19/27/1011751927.db2.gz DDHSMNZYHFSQEM-MRVPVSSYSA-N -1 1 301.324 0.167 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)[C@@H](C)Cc2cnn(C)c2)n[n-]1 ZINC001457747546 1011854609 /nfs/dbraw/zinc/85/46/09/1011854609.db2.gz XXCDPYIDIROLCW-VIFPVBQESA-N -1 1 320.353 0.210 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C)Cc2cnn(C)c2)n1 ZINC001457747546 1011854625 /nfs/dbraw/zinc/85/46/25/1011854625.db2.gz XXCDPYIDIROLCW-VIFPVBQESA-N -1 1 320.353 0.210 20 0 DCADMM CCn1cc(-c2nn(C)cc2C(=O)Nc2c[n-][nH]c2=O)cn1 ZINC001457821296 1011891507 /nfs/dbraw/zinc/89/15/07/1011891507.db2.gz IVODRXAATCXOJD-UHFFFAOYSA-N -1 1 301.310 0.985 20 0 DCADMM C[C@@]1(c2cccc(C(=O)Nc3c[n-][nH]c3=O)c2)NC(=O)NC1=O ZINC001457825270 1011894633 /nfs/dbraw/zinc/89/46/33/1011894633.db2.gz ZZHOWGTVVXQIPD-AWEZNQCLSA-N -1 1 315.289 0.422 20 0 DCADMM COC(=O)c1c(NC(=O)c2ccccc2F)n[n-]c1OCCO ZINC001457889190 1011933428 /nfs/dbraw/zinc/93/34/28/1011933428.db2.gz WXMKFGJKSMBAKH-UHFFFAOYSA-N -1 1 323.280 0.959 20 0 DCADMM COC(=O)c1c(NC(=O)c2ccccc2F)[n-]nc1OCCO ZINC001457889190 1011933434 /nfs/dbraw/zinc/93/34/34/1011933434.db2.gz WXMKFGJKSMBAKH-UHFFFAOYSA-N -1 1 323.280 0.959 20 0 DCADMM CC[C@H](C)CC(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001457971391 1012007761 /nfs/dbraw/zinc/00/77/61/1012007761.db2.gz PGLWLQSOKLVBEG-QWRGUYRKSA-N -1 1 309.366 0.430 20 0 DCADMM O=C(c1ccnc2ccnn21)N1CCSC[C@H]1c1nn[n-]n1 ZINC001556270645 1012193160 /nfs/dbraw/zinc/19/31/60/1012193160.db2.gz ZTBHXPDQTQIVRS-VIFPVBQESA-N -1 1 316.350 0.173 20 0 DCADMM O=C(c1ccnc2ccnn21)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001556270644 1012195277 /nfs/dbraw/zinc/19/52/77/1012195277.db2.gz ZTBHXPDQTQIVRS-SECBINFHSA-N -1 1 316.350 0.173 20 0 DCADMM Cc1cc(=O)[nH]c(N2CCN(c3nccnc3CN)CC2)n1 ZINC001458617197 1012230978 /nfs/dbraw/zinc/23/09/78/1012230978.db2.gz SXMYXFVHHRHORJ-UHFFFAOYSA-N -1 1 301.354 0.066 20 0 DCADMM O=C(NCC[C@@H]1CCCS1(=O)=O)C(=O)c1ccc([O-])cc1 ZINC001558137447 1012328030 /nfs/dbraw/zinc/32/80/30/1012328030.db2.gz NXXFLGLCEVHMJX-LBPRGKRZSA-N -1 1 311.359 0.658 20 0 DCADMM COc1nscc1S(=O)(=O)[N-]CCCN1CCOC1=O ZINC001561219922 1012464132 /nfs/dbraw/zinc/46/41/32/1012464132.db2.gz CNDKKEMLCHPYRC-UHFFFAOYSA-N -1 1 321.380 0.272 20 0 DCADMM COc1cc(S(=O)(=O)[N-]CCOC2CCOCC2)sn1 ZINC001561955398 1012483063 /nfs/dbraw/zinc/48/30/63/1012483063.db2.gz AJIWIBYRXUTNFX-UHFFFAOYSA-N -1 1 322.408 0.626 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cnn4ncccc34)nc2n1 ZINC001543196235 1012502681 /nfs/dbraw/zinc/50/26/81/1012502681.db2.gz KXWUQBACPZENSY-UHFFFAOYSA-N -1 1 324.304 0.275 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)COC)CCN1C(=O)c1ncccc1[O-] ZINC001446055106 1012567221 /nfs/dbraw/zinc/56/72/21/1012567221.db2.gz UCMPMCWSEQJJNR-WDEREUQCSA-N -1 1 307.350 0.543 20 0 DCADMM Cc1cc(CCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])[nH]n1 ZINC001546106795 1012596821 /nfs/dbraw/zinc/59/68/21/1012596821.db2.gz MTFKIELWCHYOQL-UHFFFAOYSA-N -1 1 324.362 0.642 20 0 DCADMM CCO[C@@H](C)C(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001459397613 1012703248 /nfs/dbraw/zinc/70/32/48/1012703248.db2.gz WVLSKKYOXRGDDT-ZBEGNZNMSA-N -1 1 321.377 0.933 20 0 DCADMM CO[C@@H](C)C(=O)NC[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001432649882 1012731006 /nfs/dbraw/zinc/73/10/06/1012731006.db2.gz ZOADBUVTYHKVKT-ZBEGNZNMSA-N -1 1 321.377 0.791 20 0 DCADMM C[C@@H](CNC(=O)c1ccc2ccc(O)cc2c1[O-])S(N)(=O)=O ZINC001446289039 1012731025 /nfs/dbraw/zinc/73/10/25/1012731025.db2.gz MLYZZJBHSHIKJU-QMMMGPOBSA-N -1 1 324.358 0.658 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)c3ccc(Cn4ccnn4)o3)ccnc1-2 ZINC001459617038 1012781859 /nfs/dbraw/zinc/78/18/59/1012781859.db2.gz PFDBIHIBVZVIPC-UHFFFAOYSA-N -1 1 323.316 0.827 20 0 DCADMM CCOCC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001429952998 1012989420 /nfs/dbraw/zinc/98/94/20/1012989420.db2.gz FWXOQMDQUMSOJW-NSHDSACASA-N -1 1 307.350 0.448 20 0 DCADMM O=C(NCC1(O)CN(Cc2ccsc2)C1)c1ncccc1[O-] ZINC001446832880 1013004314 /nfs/dbraw/zinc/00/43/14/1013004314.db2.gz GCLYLCSLDUXDHQ-UHFFFAOYSA-N -1 1 319.386 0.825 20 0 DCADMM COc1ccccc1N1C[C@H](C(=O)N(C)c2nn[n-]n2)CC1=O ZINC001461558838 1013031175 /nfs/dbraw/zinc/03/11/75/1013031175.db2.gz MEAWPHIGRDEPDW-SECBINFHSA-N -1 1 316.321 0.224 20 0 DCADMM CCCc1cc(=O)n2[n-]c(NC(=O)COC(F)(F)F)nc2n1 ZINC001461859885 1013042525 /nfs/dbraw/zinc/04/25/25/1013042525.db2.gz SZFMBVCNWBZZAC-UHFFFAOYSA-N -1 1 319.243 0.845 20 0 DCADMM Cc1cc(NC(=O)NN2CC(=O)[N-]C2=O)n(C2CCOCC2)n1 ZINC001476310144 1017188623 /nfs/dbraw/zinc/18/86/23/1017188623.db2.gz CIKIHBIZUAEBPC-UHFFFAOYSA-N -1 1 322.325 0.131 20 0 DCADMM O=C(Nc1cccc2c(=O)[nH]ccc12)NN1CC(=O)[N-]C1=O ZINC001476603005 1017205824 /nfs/dbraw/zinc/20/58/24/1017205824.db2.gz NHCZXAPIDMJRIC-UHFFFAOYSA-N -1 1 301.262 0.529 20 0 DCADMM O=C([O-])[C@]1(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)CNCCO1 ZINC001521372352 1017358240 /nfs/dbraw/zinc/35/82/40/1017358240.db2.gz IJWXFYHLOYDBKN-WOSRLPQWSA-N -1 1 304.346 0.177 20 0 DCADMM CC1(C)OCC[C@@H]1NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001478669256 1017371904 /nfs/dbraw/zinc/37/19/04/1017371904.db2.gz LSUHZEWKCKFKKV-NSHDSACASA-N -1 1 322.365 0.622 20 0 DCADMM CC(C)C(C)(C)C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001506615563 1017411172 /nfs/dbraw/zinc/41/11/72/1017411172.db2.gz BRLVTUMPENFODF-NSHDSACASA-N -1 1 323.441 0.727 20 0 DCADMM 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O=C([O-])N(CC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000833997267 605984321 /nfs/dbraw/zinc/98/43/21/605984321.db2.gz CSFWQZUUMMYHLH-QWHCGFSZSA-N -1 1 311.382 0.186 20 0 DCADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2COCCO2)n1 ZINC000819971471 606063470 /nfs/dbraw/zinc/06/34/70/606063470.db2.gz MNBRYTOJXFZGPY-VIFPVBQESA-N -1 1 321.341 0.172 20 0 DCADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2COCCO2)n1 ZINC000819971471 606063473 /nfs/dbraw/zinc/06/34/73/606063473.db2.gz MNBRYTOJXFZGPY-VIFPVBQESA-N -1 1 321.341 0.172 20 0 DCADMM CC(C)(C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819923011 606138870 /nfs/dbraw/zinc/13/88/70/606138870.db2.gz SZHDMWKSWBFSBP-UHFFFAOYSA-N -1 1 309.351 1.000 20 0 DCADMM CC(C)(C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819923011 606138873 /nfs/dbraw/zinc/13/88/73/606138873.db2.gz SZHDMWKSWBFSBP-UHFFFAOYSA-N -1 1 309.351 1.000 20 0 DCADMM CN(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000821570667 606139643 /nfs/dbraw/zinc/13/96/43/606139643.db2.gz 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/nfs/dbraw/zinc/53/21/01/606532101.db2.gz HPEFEDHKUSEDLF-UHFFFAOYSA-N -1 1 303.257 0.990 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCn2cnnc2C1 ZINC000823488688 606554411 /nfs/dbraw/zinc/55/44/11/606554411.db2.gz SELBDHJJURLUPY-UHFFFAOYSA-N -1 1 302.323 0.176 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCn2cnnc2C1 ZINC000823488688 606554412 /nfs/dbraw/zinc/55/44/12/606554412.db2.gz SELBDHJJURLUPY-UHFFFAOYSA-N -1 1 302.323 0.176 20 0 DCADMM CC(C)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000820128074 606563345 /nfs/dbraw/zinc/56/33/45/606563345.db2.gz QBMMKUIFWKRTEF-MRVPVSSYSA-N -1 1 320.378 0.667 20 0 DCADMM CC(C)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000820128074 606563346 /nfs/dbraw/zinc/56/33/46/606563346.db2.gz QBMMKUIFWKRTEF-MRVPVSSYSA-N -1 1 320.378 0.667 20 0 DCADMM COC[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821684736 606579516 /nfs/dbraw/zinc/57/95/16/606579516.db2.gz IZNVZIRHQRQKGU-QMMMGPOBSA-N -1 1 306.330 0.243 20 0 DCADMM COC[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 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CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000820838675 606804822 /nfs/dbraw/zinc/80/48/22/606804822.db2.gz ZMUQVDLJJXKKHJ-MRVPVSSYSA-N -1 1 320.378 0.669 20 0 DCADMM CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000820838675 606804824 /nfs/dbraw/zinc/80/48/24/606804824.db2.gz ZMUQVDLJJXKKHJ-MRVPVSSYSA-N -1 1 320.378 0.669 20 0 DCADMM CCC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)c1nn[n-]n1 ZINC000821020944 606912631 /nfs/dbraw/zinc/91/26/31/606912631.db2.gz KCLCUWGTYGEMHT-MRVPVSSYSA-N -1 1 314.313 0.046 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cc(F)c(F)cc1F ZINC000822903508 607146756 /nfs/dbraw/zinc/14/67/56/607146756.db2.gz LSOXENGFCYCNSR-UHFFFAOYSA-N -1 1 323.238 0.946 20 0 DCADMM CCC[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821040869 607214131 /nfs/dbraw/zinc/21/41/31/607214131.db2.gz TZRRAQYFXCAAIV-QWRGUYRKSA-N -1 1 318.385 0.933 20 0 DCADMM C[C@@H]1CCC[C@H](C)CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820691113 607219345 /nfs/dbraw/zinc/21/93/45/607219345.db2.gz 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607941301 /nfs/dbraw/zinc/94/13/01/607941301.db2.gz AVZBKCRCCVNOJO-JGZJWPJOSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CC[C@@H](CO)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826450206 607941302 /nfs/dbraw/zinc/94/13/02/607941302.db2.gz AVZBKCRCCVNOJO-JGZJWPJOSA-N -1 1 302.338 0.543 20 0 DCADMM COCC1(O)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826153420 607968345 /nfs/dbraw/zinc/96/83/45/607968345.db2.gz MYMSRICOXOAFIS-UHFFFAOYSA-N -1 1 324.772 0.893 20 0 DCADMM COCC1(O)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000826153420 607968346 /nfs/dbraw/zinc/96/83/46/607968346.db2.gz MYMSRICOXOAFIS-UHFFFAOYSA-N -1 1 324.772 0.893 20 0 DCADMM c1csc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)n1 ZINC000826525846 607990225 /nfs/dbraw/zinc/99/02/25/607990225.db2.gz BCXVDLPPKDSGPJ-VIFPVBQESA-N -1 1 316.350 0.691 20 0 DCADMM c1csc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)n1 ZINC000826525846 607990226 /nfs/dbraw/zinc/99/02/26/607990226.db2.gz BCXVDLPPKDSGPJ-VIFPVBQESA-N -1 1 316.350 0.691 20 0 DCADMM CC1(C)C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C(=O)O1 ZINC000824789339 608075454 /nfs/dbraw/zinc/07/54/54/608075454.db2.gz HAMZREHOUHVVMY-SECBINFHSA-N -1 1 302.294 0.086 20 0 DCADMM CC1(C)C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C(=O)O1 ZINC000824789339 608075455 /nfs/dbraw/zinc/07/54/55/608075455.db2.gz HAMZREHOUHVVMY-SECBINFHSA-N -1 1 302.294 0.086 20 0 DCADMM c1cn(Cc2nnnn2Cc2ccccc2)c(-c2nnn[n-]2)n1 ZINC000826522230 608147929 /nfs/dbraw/zinc/14/79/29/608147929.db2.gz RVUNVHOKDYERML-UHFFFAOYSA-N -1 1 308.309 0.146 20 0 DCADMM c1cn(Cc2nnnn2Cc2ccccc2)c(-c2nn[n-]n2)n1 ZINC000826522230 608147930 /nfs/dbraw/zinc/14/79/30/608147930.db2.gz RVUNVHOKDYERML-UHFFFAOYSA-N -1 1 308.309 0.146 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826514547 608198759 /nfs/dbraw/zinc/19/87/59/608198759.db2.gz VNQTWWLTMBVZOC-TVQRCGJNSA-N -1 1 303.326 0.407 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826514547 608198760 /nfs/dbraw/zinc/19/87/60/608198760.db2.gz VNQTWWLTMBVZOC-TVQRCGJNSA-N -1 1 303.326 0.407 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000826524918 608198821 /nfs/dbraw/zinc/19/88/21/608198821.db2.gz OPGLHTGOPGLTNW-NOZJJQNGSA-N -1 1 303.326 0.407 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000826524918 608198824 /nfs/dbraw/zinc/19/88/24/608198824.db2.gz OPGLHTGOPGLTNW-NOZJJQNGSA-N -1 1 303.326 0.407 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC000826524919 608198834 /nfs/dbraw/zinc/19/88/34/608198834.db2.gz OPGLHTGOPGLTNW-RNCFNFMXSA-N -1 1 303.326 0.407 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC000826524919 608198836 /nfs/dbraw/zinc/19/88/36/608198836.db2.gz OPGLHTGOPGLTNW-RNCFNFMXSA-N -1 1 303.326 0.407 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000826524920 608199112 /nfs/dbraw/zinc/19/91/12/608199112.db2.gz OPGLHTGOPGLTNW-TVQRCGJNSA-N -1 1 303.326 0.407 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000826524920 608199113 /nfs/dbraw/zinc/19/91/13/608199113.db2.gz OPGLHTGOPGLTNW-TVQRCGJNSA-N -1 1 303.326 0.407 20 0 DCADMM CCC1(CO)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000825171739 608208521 /nfs/dbraw/zinc/20/85/21/608208521.db2.gz VBIHEIZLCPWEOU-UHFFFAOYSA-N -1 1 316.365 0.886 20 0 DCADMM CCC1(CO)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000825171739 608208522 /nfs/dbraw/zinc/20/85/22/608208522.db2.gz VBIHEIZLCPWEOU-UHFFFAOYSA-N -1 1 316.365 0.886 20 0 DCADMM c1cn(-c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cn2)cn1 ZINC000826524638 608394088 /nfs/dbraw/zinc/39/40/88/608394088.db2.gz CVHFEMOZZOUYAT-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cn(-c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cn2)cn1 ZINC000826524638 608394090 /nfs/dbraw/zinc/39/40/90/608394090.db2.gz CVHFEMOZZOUYAT-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM COC(=O)[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826129500 608418040 /nfs/dbraw/zinc/41/80/40/608418040.db2.gz UAVAHFMEIXDHHP-SECBINFHSA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826129500 608418041 /nfs/dbraw/zinc/41/80/41/608418041.db2.gz UAVAHFMEIXDHHP-SECBINFHSA-N -1 1 315.337 0.436 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826221977 608423606 /nfs/dbraw/zinc/42/36/06/608423606.db2.gz CQOHVQBVSBWZEP-RKDXNWHRSA-N -1 1 323.382 0.424 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826221977 608423608 /nfs/dbraw/zinc/42/36/08/608423608.db2.gz CQOHVQBVSBWZEP-RKDXNWHRSA-N -1 1 323.382 0.424 20 0 DCADMM Cn1cc(C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC000826360494 608428650 /nfs/dbraw/zinc/42/86/50/608428650.db2.gz MLRGJEOFIJTGST-SNVBAGLBSA-N -1 1 311.353 0.459 20 0 DCADMM Cn1cc(C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC000826360494 608428653 /nfs/dbraw/zinc/42/86/53/608428653.db2.gz MLRGJEOFIJTGST-SNVBAGLBSA-N -1 1 311.353 0.459 20 0 DCADMM Cn1cnnc1[C@H]1CCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826365318 608468306 /nfs/dbraw/zinc/46/83/06/608468306.db2.gz JHZDBAMNBQMPCB-GFCCVEGCSA-N -1 1 311.353 0.727 20 0 DCADMM Cn1cnnc1[C@H]1CCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826365318 608468307 /nfs/dbraw/zinc/46/83/07/608468307.db2.gz JHZDBAMNBQMPCB-GFCCVEGCSA-N -1 1 311.353 0.727 20 0 DCADMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826146628 608473874 /nfs/dbraw/zinc/47/38/74/608473874.db2.gz YSNPPSIDZOMJLO-BXKDBHETSA-N -1 1 302.338 0.807 20 0 DCADMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826146628 608473876 /nfs/dbraw/zinc/47/38/76/608473876.db2.gz YSNPPSIDZOMJLO-BXKDBHETSA-N -1 1 302.338 0.807 20 0 DCADMM CCNC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000825471553 608506477 /nfs/dbraw/zinc/50/64/77/608506477.db2.gz VYKLHEGSZBFSTE-UHFFFAOYSA-N -1 1 305.342 0.307 20 0 DCADMM CCNC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000825471553 608506479 /nfs/dbraw/zinc/50/64/79/608506479.db2.gz VYKLHEGSZBFSTE-UHFFFAOYSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](C)O ZINC000822005045 608580672 /nfs/dbraw/zinc/58/06/72/608580672.db2.gz NMHSRXSDLDKAAR-ZETCQYMHSA-N -1 1 320.353 0.014 20 0 DCADMM C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000825012050 608712785 /nfs/dbraw/zinc/71/27/85/608712785.db2.gz CTUVQYAUJURJHZ-MRVPVSSYSA-N -1 1 313.408 0.547 20 0 DCADMM CCOC(=O)[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000825499819 608720267 /nfs/dbraw/zinc/72/02/67/608720267.db2.gz VCZNHDPVFLRKJR-SNVBAGLBSA-N -1 1 323.378 0.692 20 0 DCADMM COC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826164363 608860205 /nfs/dbraw/zinc/86/02/05/608860205.db2.gz UIPYYBZJZNGTSB-ZCFIWIBFSA-N -1 1 324.366 0.454 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cccnc1Cl ZINC000826424742 608890940 /nfs/dbraw/zinc/89/09/40/608890940.db2.gz ARALWCBQYPIHAN-UHFFFAOYSA-N -1 1 304.701 0.750 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cccnc1Cl ZINC000826424742 608890941 /nfs/dbraw/zinc/89/09/41/608890941.db2.gz ARALWCBQYPIHAN-UHFFFAOYSA-N -1 1 304.701 0.750 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC[C@@H]2CCCCO2)n1 ZINC000826356750 609158464 /nfs/dbraw/zinc/15/84/64/609158464.db2.gz DNIZTGSRWNARPV-VIFPVBQESA-N -1 1 320.357 0.681 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC[C@@H]2CCCCO2)n1 ZINC000826356750 609158465 /nfs/dbraw/zinc/15/84/65/609158465.db2.gz DNIZTGSRWNARPV-VIFPVBQESA-N -1 1 320.357 0.681 20 0 DCADMM O=C(N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)c1ccon1 ZINC000978746385 660599295 /nfs/dbraw/zinc/59/92/95/660599295.db2.gz YBLYKSHJHGOPHE-AOOOYVTPSA-N -1 1 316.317 0.714 20 0 DCADMM O=C(NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1ncc[nH]1 ZINC000978786697 660604542 /nfs/dbraw/zinc/60/45/42/660604542.db2.gz ABFDGIYWAFVTAB-AOOOYVTPSA-N -1 1 315.333 0.449 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)c2cccs2)nc1=O ZINC001027733413 660665522 /nfs/dbraw/zinc/66/55/22/660665522.db2.gz BDGYZTMDCKOOIS-SNVBAGLBSA-N -1 1 321.406 0.564 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2ccoc2)CCO1 ZINC000979198015 660683949 /nfs/dbraw/zinc/68/39/49/660683949.db2.gz TWFHBKCIJHMWLC-GXSJLCMTSA-N -1 1 321.337 0.123 20 0 DCADMM C/C=C(/C)C(=O)N1CCO[C@H]([C@H](C)NCc2n[nH]c(=O)[n-]2)C1 ZINC000979237962 660693321 /nfs/dbraw/zinc/69/33/21/660693321.db2.gz DKXHASDPZMOBMB-XXLCQIKASA-N -1 1 309.370 0.182 20 0 DCADMM CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1O ZINC001027761344 660701905 /nfs/dbraw/zinc/70/19/05/660701905.db2.gz MKFNCHGTZCCSFX-GFCCVEGCSA-N -1 1 305.378 0.675 20 0 DCADMM O=C(NC[C@H]1C[C@H](NC(=O)[C@H]2CCOC2)C1)c1ncccc1[O-] ZINC000979666523 660797663 /nfs/dbraw/zinc/79/76/63/660797663.db2.gz VULWEUOWPJUEHO-SRVKXCTJSA-N -1 1 319.361 0.448 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2[C@H](C)C(=O)N(C)C)c1[O-] ZINC001027832223 660808267 /nfs/dbraw/zinc/80/82/67/660808267.db2.gz BIEJUHBBFPPUKF-GHMZBOCLSA-N -1 1 323.397 0.095 20 0 DCADMM O=C(CN1CCC[C@@H]1CNC(=O)c1ncccc1[O-])NC1CC1 ZINC001027843740 660827163 /nfs/dbraw/zinc/82/71/63/660827163.db2.gz GOIHWFYVBBIXFM-GFCCVEGCSA-N -1 1 318.377 0.260 20 0 DCADMM C/C(=C\C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1)C1CC1 ZINC000980767078 661006795 /nfs/dbraw/zinc/00/67/95/661006795.db2.gz ASUQZEPOTMKEGR-ZRDIBKRKSA-N -1 1 319.409 0.499 20 0 DCADMM CCOCCOCC[NH+]1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC000931746374 661045544 /nfs/dbraw/zinc/04/55/44/661045544.db2.gz DMFUBVFSYJKRBB-UHFFFAOYSA-N -1 1 310.398 0.666 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)/C=C\C3CC3)CC2)nc1=O ZINC000980881741 661037475 /nfs/dbraw/zinc/03/74/75/661037475.db2.gz OKINTGXBXGDXRI-WAYWQWQTSA-N -1 1 305.382 0.109 20 0 DCADMM CC1CC(C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)C1 ZINC000980941374 661049700 /nfs/dbraw/zinc/04/97/00/661049700.db2.gz AKQVCBULKKFSLZ-UHFFFAOYSA-N -1 1 307.398 0.189 20 0 DCADMM Cc1noc(CN2CCCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC000981026340 661067195 /nfs/dbraw/zinc/06/71/95/661067195.db2.gz AZDHNILYXPRCQU-UHFFFAOYSA-N -1 1 317.349 0.827 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C(=O)c3ccn[nH]3)C2)c1[O-] ZINC000936717997 661131373 /nfs/dbraw/zinc/13/13/73/661131373.db2.gz GCNKIXARIXIEEH-VIFPVBQESA-N -1 1 318.337 0.134 20 0 DCADMM C[C@H](C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1)C1CCC1 ZINC000981428496 661151692 /nfs/dbraw/zinc/15/16/92/661151692.db2.gz XWPBQBGRZYRESR-LBPRGKRZSA-N -1 1 321.425 0.579 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)CC3(C)CC3)CC2)nc1=O ZINC000981636018 661185581 /nfs/dbraw/zinc/18/55/81/661185581.db2.gz OPFZMRRNXARVPK-UHFFFAOYSA-N -1 1 307.398 0.333 20 0 DCADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000936735049 661233181 /nfs/dbraw/zinc/23/31/81/661233181.db2.gz DBXDSWIUKYUFFN-LLVKDONJSA-N -1 1 315.333 0.497 20 0 DCADMM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000820796099 665419068 /nfs/dbraw/zinc/41/90/68/665419068.db2.gz ZVDYDMBUJUXCDI-SNVBAGLBSA-N -1 1 312.457 0.880 20 0 DCADMM Cc1cnc(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000998443542 665456159 /nfs/dbraw/zinc/45/61/59/665456159.db2.gz DXHDIKXJNWFJLK-JTQLQIEISA-N -1 1 317.353 0.003 20 0 DCADMM O=C(c1cnoc1C1CC1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970391972 657464712 /nfs/dbraw/zinc/46/47/12/657464712.db2.gz VVYNQEOANWKHJJ-SECBINFHSA-N -1 1 318.337 0.380 20 0 DCADMM CCOCCO[C@@H](C)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000052322139 657478559 /nfs/dbraw/zinc/47/85/59/657478559.db2.gz QGCHHDIARZXPEK-LBPRGKRZSA-N -1 1 323.345 0.928 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[C@H]2OC)o1 ZINC000889354679 657561676 /nfs/dbraw/zinc/56/16/76/657561676.db2.gz AKTNHZXJRPJHFI-RKDXNWHRSA-N -1 1 302.352 0.437 20 0 DCADMM Cc1noc(C)c1CC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970694775 657797852 /nfs/dbraw/zinc/79/78/52/657797852.db2.gz NWXIMAIDGHSSSU-SNVBAGLBSA-N -1 1 320.353 0.048 20 0 DCADMM Cc1nc[nH]c(=O)c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncccn2)C1 ZINC001020495601 657801971 /nfs/dbraw/zinc/80/19/71/657801971.db2.gz VOZTZTPAYHWTNW-XYPYZODXSA-N -1 1 314.349 0.331 20 0 DCADMM CCn1cc(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000998761153 665521555 /nfs/dbraw/zinc/52/15/55/665521555.db2.gz TWISKBQOONDBOI-NSHDSACASA-N -1 1 319.369 0.121 20 0 DCADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(N)=O ZINC000052171679 657906635 /nfs/dbraw/zinc/90/66/35/657906635.db2.gz JISRUAPFAGJYCZ-UHFFFAOYSA-N -1 1 300.336 0.480 20 0 DCADMM C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969459813 657907793 /nfs/dbraw/zinc/90/77/93/657907793.db2.gz PQAUHWPMWLXXPZ-WUWHUORYSA-N -1 1 319.409 0.091 20 0 DCADMM CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001023494061 657929513 /nfs/dbraw/zinc/92/95/13/657929513.db2.gz YPICOBPHILMDLP-ZYHUDNBSSA-N -1 1 319.361 0.279 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2csnn2)C1 ZINC000969546507 657962332 /nfs/dbraw/zinc/96/23/32/657962332.db2.gz JYOMFXNCFUCLHW-SECBINFHSA-N -1 1 319.390 0.889 20 0 DCADMM Cn1cc(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)cn1 ZINC000939346756 665557261 /nfs/dbraw/zinc/55/72/61/665557261.db2.gz AIFSGWSIOROCNU-LLVKDONJSA-N -1 1 315.333 0.165 20 0 DCADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970024782 658364239 /nfs/dbraw/zinc/36/42/39/658364239.db2.gz 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CCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001576446319 1164347601 /nfs/dbraw/zinc/34/76/01/1164347601.db2.gz YPIHIOTYJBEWSQ-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001576446319 1164347605 /nfs/dbraw/zinc/34/76/05/1164347605.db2.gz YPIHIOTYJBEWSQ-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001576445573 1164347946 /nfs/dbraw/zinc/34/79/46/1164347946.db2.gz SOKIJECJRGWABO-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001576445573 1164347952 /nfs/dbraw/zinc/34/79/52/1164347952.db2.gz SOKIJECJRGWABO-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001576444652 1164348630 /nfs/dbraw/zinc/34/86/30/1164348630.db2.gz JXVUDYYDUMEVBX-UHFFFAOYSA-N -1 1 316.369 0.460 20 0 DCADMM CCC(=O)NC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001576444652 1164348636 /nfs/dbraw/zinc/34/86/36/1164348636.db2.gz JXVUDYYDUMEVBX-UHFFFAOYSA-N -1 1 316.369 0.460 20 0 DCADMM CCC(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001576445535 1164348759 /nfs/dbraw/zinc/34/87/59/1164348759.db2.gz SCOCFNAXBALKIG-JTQLQIEISA-N -1 1 316.369 0.398 20 0 DCADMM CCC(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001576445535 1164348764 /nfs/dbraw/zinc/34/87/64/1164348764.db2.gz SCOCFNAXBALKIG-JTQLQIEISA-N -1 1 316.369 0.398 20 0 DCADMM CCC(=O)N[C@@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576477099 1164356979 /nfs/dbraw/zinc/35/69/79/1164356979.db2.gz CNGPQTQFGILNOU-QMMMGPOBSA-N -1 1 304.358 0.546 20 0 DCADMM CCC(=O)N[C@@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576477099 1164356983 /nfs/dbraw/zinc/35/69/83/1164356983.db2.gz CNGPQTQFGILNOU-QMMMGPOBSA-N -1 1 304.358 0.546 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576477360 1164357332 /nfs/dbraw/zinc/35/73/32/1164357332.db2.gz IHFMXEZMYOROPK-JTQLQIEISA-N -1 1 316.369 0.460 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001576477360 1164357338 /nfs/dbraw/zinc/35/73/38/1164357338.db2.gz IHFMXEZMYOROPK-JTQLQIEISA-N -1 1 316.369 0.460 20 0 DCADMM CCC(C)(C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001576515447 1164372785 /nfs/dbraw/zinc/37/27/85/1164372785.db2.gz JNTQXHCWVMRBCI-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCC(C)(C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001576515447 1164372788 /nfs/dbraw/zinc/37/27/88/1164372788.db2.gz JNTQXHCWVMRBCI-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576562150 1164391898 /nfs/dbraw/zinc/39/18/98/1164391898.db2.gz LXSNXECTZHGKCV-NXEZZACHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576562150 1164391904 /nfs/dbraw/zinc/39/19/04/1164391904.db2.gz LXSNXECTZHGKCV-NXEZZACHSA-N -1 1 318.385 0.962 20 0 DCADMM CC/C(C)=C\C(=O)NC[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001576567086 1164396941 /nfs/dbraw/zinc/39/69/41/1164396941.db2.gz WUQPEZNOPRIFPD-BSKOKIOFSA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001576583305 1164403589 /nfs/dbraw/zinc/40/35/89/1164403589.db2.gz WWVZJZLGMINYKF-VHSXEESVSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001576583305 1164403595 /nfs/dbraw/zinc/40/35/95/1164403595.db2.gz WWVZJZLGMINYKF-VHSXEESVSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H](C)CC(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576631051 1164418686 /nfs/dbraw/zinc/41/86/86/1164418686.db2.gz ZZHXTFUBNCVJDY-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H](C)CC(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576631051 1164418691 /nfs/dbraw/zinc/41/86/91/1164418691.db2.gz ZZHXTFUBNCVJDY-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H](CC(F)F)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001576708058 1164439051 /nfs/dbraw/zinc/43/90/51/1164439051.db2.gz MAEDVISKXCUDEM-ZETCQYMHSA-N -1 1 314.300 0.256 20 0 DCADMM CC[C@@](COC)(NC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)OC ZINC001576925494 1164533566 /nfs/dbraw/zinc/53/35/66/1164533566.db2.gz LPJNZIFSMCVWQQ-ZDUSSCGKSA-N -1 1 323.309 0.158 20 0 DCADMM CC[C@@](COC)(NC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)OC ZINC001576925494 1164533576 /nfs/dbraw/zinc/53/35/76/1164533576.db2.gz LPJNZIFSMCVWQQ-ZDUSSCGKSA-N -1 1 323.309 0.158 20 0 DCADMM CC[C@H](F)C(=O)N(CC)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576926889 1164538154 /nfs/dbraw/zinc/53/81/54/1164538154.db2.gz KYNVZUQGABIBSB-VIFPVBQESA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@H](F)C(=O)N(CC)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576926889 1164538167 /nfs/dbraw/zinc/53/81/67/1164538167.db2.gz KYNVZUQGABIBSB-VIFPVBQESA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576956257 1164554566 /nfs/dbraw/zinc/55/45/66/1164554566.db2.gz LRPHGLVRJYWBAN-IUCAKERBSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576956257 1164554574 /nfs/dbraw/zinc/55/45/74/1164554574.db2.gz LRPHGLVRJYWBAN-IUCAKERBSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576956258 1164555164 /nfs/dbraw/zinc/55/51/64/1164555164.db2.gz LRPHGLVRJYWBAN-RKDXNWHRSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576956258 1164555171 /nfs/dbraw/zinc/55/51/71/1164555171.db2.gz LRPHGLVRJYWBAN-RKDXNWHRSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@@H](F)C(=O)NCCN(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001576958985 1164558496 /nfs/dbraw/zinc/55/84/96/1164558496.db2.gz ONNUBPZTQFUCSF-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM CO[N-]C(=O)CNC(=O)Nc1cccc(OCc2c[nH]nn2)c1 ZINC001577026108 1164586812 /nfs/dbraw/zinc/58/68/12/1164586812.db2.gz WRPDNQHHKJAXLU-UHFFFAOYSA-N -1 1 320.309 0.183 20 0 DCADMM CC[C@@H]1[C@@H](CO)CCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001577126459 1164611011 /nfs/dbraw/zinc/61/10/11/1164611011.db2.gz JXJLZEQZRZCPMB-MWLCHTKSSA-N -1 1 320.353 0.325 20 0 DCADMM CC[C@@H]1[C@@H](CO)CCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001577126459 1164611016 /nfs/dbraw/zinc/61/10/16/1164611016.db2.gz JXJLZEQZRZCPMB-MWLCHTKSSA-N -1 1 320.353 0.325 20 0 DCADMM CC[C@H]1CC[C@@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)O1 ZINC001577145895 1164614575 /nfs/dbraw/zinc/61/45/75/1164614575.db2.gz GTCVBXKZKBAVIV-JQWIXIFHSA-N -1 1 302.338 0.836 20 0 DCADMM CC[C@H]1CC[C@@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)O1 ZINC001577145895 1164614578 /nfs/dbraw/zinc/61/45/78/1164614578.db2.gz GTCVBXKZKBAVIV-JQWIXIFHSA-N -1 1 302.338 0.836 20 0 DCADMM CCCC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577184064 1164625302 /nfs/dbraw/zinc/62/53/02/1164625302.db2.gz FIFDLYKZZQHFIA-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577184064 1164625313 /nfs/dbraw/zinc/62/53/13/1164625313.db2.gz FIFDLYKZZQHFIA-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577190691 1164630070 /nfs/dbraw/zinc/63/00/70/1164630070.db2.gz KXCPGRZNIUFYGC-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577190691 1164630077 /nfs/dbraw/zinc/63/00/77/1164630077.db2.gz KXCPGRZNIUFYGC-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577198787 1164630776 /nfs/dbraw/zinc/63/07/76/1164630776.db2.gz ZRTQZZXOMMDMHC-SNVBAGLBSA-N -1 1 316.369 0.282 20 0 DCADMM CCCC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001577198563 1164630841 /nfs/dbraw/zinc/63/08/41/1164630841.db2.gz XDRXCSWUSVIGHN-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001577198563 1164630844 /nfs/dbraw/zinc/63/08/44/1164630844.db2.gz XDRXCSWUSVIGHN-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001577218917 1164640684 /nfs/dbraw/zinc/64/06/84/1164640684.db2.gz ONOYONSBIRPZRS-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001577218917 1164640687 /nfs/dbraw/zinc/64/06/87/1164640687.db2.gz ONOYONSBIRPZRS-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577403218 1164684392 /nfs/dbraw/zinc/68/43/92/1164684392.db2.gz MREHBOVWICPJHR-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577403218 1164684398 /nfs/dbraw/zinc/68/43/98/1164684398.db2.gz MREHBOVWICPJHR-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC ZINC001577476885 1164699417 /nfs/dbraw/zinc/69/94/17/1164699417.db2.gz FKIBZNFSZXOCGO-SNVBAGLBSA-N -1 1 318.385 0.576 20 0 DCADMM CCCN(C(C)=O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577547780 1164722286 /nfs/dbraw/zinc/72/22/86/1164722286.db2.gz SHGVBEZWCZNZMS-NSHDSACASA-N -1 1 316.369 0.494 20 0 DCADMM CCCN(C(C)=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577547780 1164722289 /nfs/dbraw/zinc/72/22/89/1164722289.db2.gz SHGVBEZWCZNZMS-NSHDSACASA-N -1 1 316.369 0.494 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCN(C(C)=O)C1CC1 ZINC001577772168 1164788565 /nfs/dbraw/zinc/78/85/65/1164788565.db2.gz KSTWOAAZCHTEJH-UHFFFAOYSA-N -1 1 324.337 0.027 20 0 DCADMM CCN(CCNc1nccnc1-c1nnn[n-]1)C(=O)C(C)(C)C ZINC001578163256 1164941972 /nfs/dbraw/zinc/94/19/72/1164941972.db2.gz JCRQVNPBKFHLRG-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCN(CCNc1nccnc1-c1nn[n-]n1)C(=O)C(C)(C)C ZINC001578163256 1164941978 /nfs/dbraw/zinc/94/19/78/1164941978.db2.gz JCRQVNPBKFHLRG-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCOc1ccccc1[C@@H](N)CC(=O)NCc1n[nH]c(=O)[n-]1 ZINC001578200157 1164949147 /nfs/dbraw/zinc/94/91/47/1164949147.db2.gz JSUHBKVSEUFYSM-JTQLQIEISA-N -1 1 305.338 0.615 20 0 DCADMM CCO[C@H]1COCC[C@@H]1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001578341301 1164977559 /nfs/dbraw/zinc/97/75/59/1164977559.db2.gz QWRXXWOOLYTKAB-SCZZXKLOSA-N -1 1 321.341 0.360 20 0 DCADMM CCO[C@H]1COCC[C@@H]1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001578341301 1164977561 /nfs/dbraw/zinc/97/75/61/1164977561.db2.gz QWRXXWOOLYTKAB-SCZZXKLOSA-N -1 1 321.341 0.360 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)OC)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001578472197 1165029231 /nfs/dbraw/zinc/02/92/31/1165029231.db2.gz QXSXYVIOOWOWTG-XPUUQOCRSA-N -1 1 322.329 0.299 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)OC)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001578472197 1165029235 /nfs/dbraw/zinc/02/92/35/1165029235.db2.gz QXSXYVIOOWOWTG-XPUUQOCRSA-N -1 1 322.329 0.299 20 0 DCADMM CCc1cc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)nn1C ZINC001578514523 1165037025 /nfs/dbraw/zinc/03/70/25/1165037025.db2.gz ATJZTFUQYOEEAI-UHFFFAOYSA-N -1 1 316.329 0.540 20 0 DCADMM CCc1cc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)nn1C ZINC001578514523 1165037028 /nfs/dbraw/zinc/03/70/28/1165037028.db2.gz ATJZTFUQYOEEAI-UHFFFAOYSA-N -1 1 316.329 0.540 20 0 DCADMM CCc1[nH]nc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1C ZINC001578564359 1165063850 /nfs/dbraw/zinc/06/38/50/1165063850.db2.gz WMXVFXYJIYFAOQ-SSDOTTSWSA-N -1 1 316.329 0.252 20 0 DCADMM CN(C)C(=O)O[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001578961211 1165170450 /nfs/dbraw/zinc/17/04/50/1165170450.db2.gz XQEQSBHKANXCRO-QMMMGPOBSA-N -1 1 320.309 0.372 20 0 DCADMM CN(C)C(=O)O[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001578961211 1165170457 /nfs/dbraw/zinc/17/04/57/1165170457.db2.gz XQEQSBHKANXCRO-QMMMGPOBSA-N -1 1 320.309 0.372 20 0 DCADMM CN(CCNC(=O)[C@@H]1CC12CC2)c1ccc(-c2nnn[n-]2)nn1 ZINC001579167248 1165228104 /nfs/dbraw/zinc/22/81/04/1165228104.db2.gz QTHSVCANVQANSL-VIFPVBQESA-N -1 1 314.353 0.009 20 0 DCADMM CN(CCNC(=O)[C@@H]1CC12CC2)c1ccc(-c2nn[n-]n2)nn1 ZINC001579167248 1165228111 /nfs/dbraw/zinc/22/81/11/1165228111.db2.gz QTHSVCANVQANSL-VIFPVBQESA-N -1 1 314.353 0.009 20 0 DCADMM CN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)CC(C)(C)C ZINC001579215660 1165240127 /nfs/dbraw/zinc/24/01/27/1165240127.db2.gz YJOQIWZUKKNKOK-UHFFFAOYSA-N -1 1 318.385 0.385 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)[C@@H]1CC12CC2 ZINC001579225372 1165241869 /nfs/dbraw/zinc/24/18/69/1165241869.db2.gz RLQBCVPUPHFLLA-VIFPVBQESA-N -1 1 314.353 0.327 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)[C@@H]1CC12CC2 ZINC001579225372 1165241880 /nfs/dbraw/zinc/24/18/80/1165241880.db2.gz RLQBCVPUPHFLLA-VIFPVBQESA-N -1 1 314.353 0.327 20 0 DCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001579284378 1165260171 /nfs/dbraw/zinc/26/01/71/1165260171.db2.gz UXOTYGCCYQUJBF-SNVBAGLBSA-N -1 1 314.353 0.104 20 0 DCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001579284378 1165260177 /nfs/dbraw/zinc/26/01/77/1165260177.db2.gz UXOTYGCCYQUJBF-SNVBAGLBSA-N -1 1 314.353 0.104 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H](C)O1 ZINC001579469907 1165319501 /nfs/dbraw/zinc/31/95/01/1165319501.db2.gz BYCSOGUKUKTACB-SCZZXKLOSA-N -1 1 323.378 0.691 20 0 DCADMM COC(=O)[C@@]1(C)CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001579472970 1165322743 /nfs/dbraw/zinc/32/27/43/1165322743.db2.gz SFGPOAACIDRAHA-XPTSAGLGSA-N -1 1 302.338 0.897 20 0 DCADMM COC(=O)[C@@]1(C)CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001579472970 1165322749 /nfs/dbraw/zinc/32/27/49/1165322749.db2.gz SFGPOAACIDRAHA-XPTSAGLGSA-N -1 1 302.338 0.897 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2conc2C)c1 ZINC001579477210 1165324090 /nfs/dbraw/zinc/32/40/90/1165324090.db2.gz FCTIXORFNYIHPP-UHFFFAOYSA-N -1 1 316.277 0.160 20 0 DCADMM COC(=O)c1ccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)[nH]1 ZINC001579481710 1165326182 /nfs/dbraw/zinc/32/61/82/1165326182.db2.gz WCSRRYGNDDEAFG-UHFFFAOYSA-N -1 1 316.281 0.265 20 0 DCADMM COC(=O)c1ccc(N2CC[C@H](C)[C@H](O)C2)c(-c2nnn[n-]2)n1 ZINC001579482371 1165326202 /nfs/dbraw/zinc/32/62/02/1165326202.db2.gz FYKBRCVPSKRRFY-GZMMTYOYSA-N -1 1 318.337 0.255 20 0 DCADMM COC(=O)c1ccc(N2CC[C@H](C)[C@H](O)C2)c(-c2nn[n-]n2)n1 ZINC001579482371 1165326207 /nfs/dbraw/zinc/32/62/07/1165326207.db2.gz FYKBRCVPSKRRFY-GZMMTYOYSA-N -1 1 318.337 0.255 20 0 DCADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)nn1C ZINC001579485407 1165328926 /nfs/dbraw/zinc/32/89/26/1165328926.db2.gz YPSMUKQYMNEPEC-UHFFFAOYSA-N -1 1 317.265 0.232 20 0 DCADMM CO[C@H]1COCC[C@H]1CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001579618157 1165361327 /nfs/dbraw/zinc/36/13/27/1165361327.db2.gz IYQCHMCBCWEZBV-IUCAKERBSA-N -1 1 321.341 0.278 20 0 DCADMM CO[C@H]1COCC[C@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001579618135 1165362079 /nfs/dbraw/zinc/36/20/79/1165362079.db2.gz IPVZLNOMIOZPQL-CABZTGNLSA-N -1 1 318.337 0.043 20 0 DCADMM CO[C@H]1COCC[C@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001579618135 1165362087 /nfs/dbraw/zinc/36/20/87/1165362087.db2.gz IPVZLNOMIOZPQL-CABZTGNLSA-N -1 1 318.337 0.043 20 0 DCADMM COCn1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001579848172 1165409970 /nfs/dbraw/zinc/40/99/70/1165409970.db2.gz QVIYDZDCJKLBNT-UHFFFAOYSA-N -1 1 314.309 0.243 20 0 DCADMM COCn1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001579848172 1165409980 /nfs/dbraw/zinc/40/99/80/1165409980.db2.gz QVIYDZDCJKLBNT-UHFFFAOYSA-N -1 1 314.309 0.243 20 0 DCADMM COc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)nn1C ZINC001579907846 1165431292 /nfs/dbraw/zinc/43/12/92/1165431292.db2.gz QAJORNCVEFXSBE-UHFFFAOYSA-N -1 1 319.350 0.600 20 0 DCADMM COc1cc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)ccc1O ZINC001579921624 1165437332 /nfs/dbraw/zinc/43/73/32/1165437332.db2.gz XSZDGGHZZZSMHN-UHFFFAOYSA-N -1 1 315.293 0.485 20 0 DCADMM COc1cc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)ccc1O ZINC001579921624 1165437337 /nfs/dbraw/zinc/43/73/37/1165437337.db2.gz XSZDGGHZZZSMHN-UHFFFAOYSA-N -1 1 315.293 0.485 20 0 DCADMM COc1ncc(NC(=O)Cc2cnn(C)c2)cc1-c1nn[n-]n1 ZINC001580134865 1165514482 /nfs/dbraw/zinc/51/44/82/1165514482.db2.gz NXDVPPMLAMAWAH-UHFFFAOYSA-N -1 1 314.309 0.185 20 0 DCADMM COc1ncc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1-c1nn[n-]n1 ZINC001580138648 1165515671 /nfs/dbraw/zinc/51/56/71/1165515671.db2.gz MVCAEZSLIXDMRO-FBIMIBRVSA-N -1 1 316.321 0.634 20 0 DCADMM C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001580171901 1165526883 /nfs/dbraw/zinc/52/68/83/1165526883.db2.gz BEDUFLUDRWTLPJ-QKESZYPNSA-N -1 1 320.378 0.291 20 0 DCADMM C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001580171901 1165526891 /nfs/dbraw/zinc/52/68/91/1165526891.db2.gz BEDUFLUDRWTLPJ-QKESZYPNSA-N -1 1 320.378 0.291 20 0 DCADMM C[C@@H](NC(=O)Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccccc1 ZINC001580307360 1165565443 /nfs/dbraw/zinc/56/54/43/1165565443.db2.gz QULCGHLZDWGILN-LLVKDONJSA-N -1 1 324.344 0.906 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc[nH]c1 ZINC001580429457 1165601061 /nfs/dbraw/zinc/60/10/61/1165601061.db2.gz HRLJZXZLLLHBRG-MRVPVSSYSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc[nH]c1 ZINC001580429457 1165601066 /nfs/dbraw/zinc/60/10/66/1165601066.db2.gz HRLJZXZLLLHBRG-MRVPVSSYSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC1(C)CC1 ZINC001580427998 1165601176 /nfs/dbraw/zinc/60/11/76/1165601176.db2.gz ZZWYJVLFPXZDDH-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC1(C)CC1 ZINC001580427998 1165601181 /nfs/dbraw/zinc/60/11/81/1165601181.db2.gz ZZWYJVLFPXZDDH-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC1CCC1 ZINC001580429589 1165601388 /nfs/dbraw/zinc/60/13/88/1165601388.db2.gz NTVVUULDRKUCKN-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC1CCC1 ZINC001580429589 1165601392 /nfs/dbraw/zinc/60/13/92/1165601392.db2.gz NTVVUULDRKUCKN-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cn(C3CC3)nn2)nn1C ZINC001580523913 1165629482 /nfs/dbraw/zinc/62/94/82/1165629482.db2.gz OAKKITQUYOUGDK-UHFFFAOYSA-N -1 1 314.313 0.087 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cn(C3CC3)nn2)nn1C ZINC001580523913 1165629499 /nfs/dbraw/zinc/62/94/99/1165629499.db2.gz OAKKITQUYOUGDK-UHFFFAOYSA-N -1 1 314.313 0.087 20 0 DCADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)nnn1C ZINC001580560051 1165639008 /nfs/dbraw/zinc/63/90/08/1165639008.db2.gz UDFAHGLIRYGYNO-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)c1cnn(C)c1 ZINC001580595813 1165648481 /nfs/dbraw/zinc/64/84/81/1165648481.db2.gz BOOGKVHZBKLUEH-UHFFFAOYSA-N -1 1 314.309 0.286 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@H](C)CC1 ZINC001580600035 1165651042 /nfs/dbraw/zinc/65/10/42/1165651042.db2.gz LFOPCHAEHIFDJD-SECBINFHSA-N -1 1 318.337 0.527 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@](C)(CO)C(C)C ZINC001580599815 1165651647 /nfs/dbraw/zinc/65/16/47/1165651647.db2.gz GVVRKJRVAVQKMP-CQSZACIVSA-N -1 1 320.353 0.413 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)N(C)C(=O)C(C)C)n1 ZINC001580719561 1165698301 /nfs/dbraw/zinc/69/83/01/1165698301.db2.gz GELBEMJYYIYPJG-JTQLQIEISA-N -1 1 318.385 0.880 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)N(C)C(=O)C(C)C)n1 ZINC001580719561 1165698305 /nfs/dbraw/zinc/69/83/05/1165698305.db2.gz GELBEMJYYIYPJG-JTQLQIEISA-N -1 1 318.385 0.880 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(CC(F)F)C2)n1 ZINC001580739343 1165708006 /nfs/dbraw/zinc/70/80/06/1165708006.db2.gz LMRLCBFPGVLBRF-SECBINFHSA-N -1 1 324.339 0.964 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(CC(F)F)C2)n1 ZINC001580739343 1165708012 /nfs/dbraw/zinc/70/80/12/1165708012.db2.gz LMRLCBFPGVLBRF-SECBINFHSA-N -1 1 324.339 0.964 20 0 DCADMM Cc1ccc(CNC(=O)Cn2cc(-c3nn[n-]n3)nn2)cc1F ZINC001581196842 1165795897 /nfs/dbraw/zinc/79/58/97/1165795897.db2.gz OYIVYMWGSSDZPO-UHFFFAOYSA-N -1 1 316.300 0.222 20 0 DCADMM Cc1nc(NCc2ccc(C(N)=O)o2)cc(-c2nnn[n-]2)n1 ZINC001581526389 1165839386 /nfs/dbraw/zinc/83/93/86/1165839386.db2.gz WYJPDLLDOSGXIQ-UHFFFAOYSA-N -1 1 300.282 0.269 20 0 DCADMM Cc1nc(NCc2ccc(C(N)=O)o2)cc(-c2nn[n-]n2)n1 ZINC001581526389 1165839392 /nfs/dbraw/zinc/83/93/92/1165839392.db2.gz WYJPDLLDOSGXIQ-UHFFFAOYSA-N -1 1 300.282 0.269 20 0 DCADMM Cc1ncc(NCc2cccc(-c3nnn[n-]3)n2)cc1C(N)=O ZINC001581551018 1165840011 /nfs/dbraw/zinc/84/00/11/1165840011.db2.gz GTIFNSULFZLOFA-UHFFFAOYSA-N -1 1 310.321 0.676 20 0 DCADMM Cc1ncc(NCc2cccc(-c3nn[n-]n3)n2)cc1C(N)=O ZINC001581551018 1165840023 /nfs/dbraw/zinc/84/00/23/1165840023.db2.gz GTIFNSULFZLOFA-UHFFFAOYSA-N -1 1 310.321 0.676 20 0 DCADMM Cc1ncc(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)o1 ZINC001581549408 1165840275 /nfs/dbraw/zinc/84/02/75/1165840275.db2.gz ZBMUQWAAMMSIAC-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1ncc(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)o1 ZINC001581549408 1165840283 /nfs/dbraw/zinc/84/02/83/1165840283.db2.gz ZBMUQWAAMMSIAC-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1ncc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001581549110 1165841081 /nfs/dbraw/zinc/84/10/81/1165841081.db2.gz PJJDXLDOSFEHMV-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1ncc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001581549110 1165841092 /nfs/dbraw/zinc/84/10/92/1165841092.db2.gz PJJDXLDOSFEHMV-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1ncc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1C(N)=O ZINC001581551100 1165841323 /nfs/dbraw/zinc/84/13/23/1165841323.db2.gz JJPVMTYUMGKFPU-UHFFFAOYSA-N -1 1 324.304 0.316 20 0 DCADMM Cc1ncc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1C(N)=O ZINC001581551100 1165841332 /nfs/dbraw/zinc/84/13/32/1165841332.db2.gz JJPVMTYUMGKFPU-UHFFFAOYSA-N -1 1 324.304 0.316 20 0 DCADMM Cc1ncoc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001581581710 1165845936 /nfs/dbraw/zinc/84/59/36/1165845936.db2.gz RBKAWRRHHQXUGO-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1ncoc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001581581710 1165845947 /nfs/dbraw/zinc/84/59/47/1165845947.db2.gz RBKAWRRHHQXUGO-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1ncsc1CCC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001581586456 1165846173 /nfs/dbraw/zinc/84/61/73/1165846173.db2.gz PYSHKUZLSWPDJV-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1ncsc1CCC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001581586456 1165846184 /nfs/dbraw/zinc/84/61/84/1165846184.db2.gz PYSHKUZLSWPDJV-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1noc(CCC(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)n1 ZINC001581635363 1165853465 /nfs/dbraw/zinc/85/34/65/1165853465.db2.gz PFXCSMLEXIIWEF-UHFFFAOYSA-N -1 1 317.313 0.171 20 0 DCADMM Cc1noc(CCC(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)n1 ZINC001581635363 1165853473 /nfs/dbraw/zinc/85/34/73/1165853473.db2.gz PFXCSMLEXIIWEF-UHFFFAOYSA-N -1 1 317.313 0.171 20 0 DCADMM Cc1nsc(N(C)[C@H](C)CNC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001581658560 1165856435 /nfs/dbraw/zinc/85/64/35/1165856435.db2.gz JONUNOSPBGLWLO-SSDOTTSWSA-N -1 1 321.410 0.983 20 0 DCADMM Cc1nsc(NC(=O)Cc2cnn(C)c2C)c1-c1nnn[n-]1 ZINC001581685313 1165860174 /nfs/dbraw/zinc/86/01/74/1165860174.db2.gz JJICOZXWFYZDMY-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM Cc1nsc(NC(=O)Cc2cnn(C)c2C)c1-c1nn[n-]n1 ZINC001581685313 1165860178 /nfs/dbraw/zinc/86/01/78/1165860178.db2.gz JJICOZXWFYZDMY-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)C1N=NC(=O)N1C ZINC001581726942 1165861071 /nfs/dbraw/zinc/86/10/71/1165861071.db2.gz BOYCPQNDSUWSGL-RXMQYKEDSA-N -1 1 318.297 0.093 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)C1N=NC(=O)N1C ZINC001581726942 1165861078 /nfs/dbraw/zinc/86/10/78/1165861078.db2.gz BOYCPQNDSUWSGL-RXMQYKEDSA-N -1 1 318.297 0.093 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)c1-c1nn[n-]n1 ZINC001581738877 1165862860 /nfs/dbraw/zinc/86/28/60/1165862860.db2.gz FOCJTDKZOUANFR-NRPADANISA-N -1 1 320.353 0.635 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)c1-c1nnn[n-]1 ZINC001581738877 1165862852 /nfs/dbraw/zinc/86/28/52/1165862852.db2.gz FOCJTDKZOUANFR-NRPADANISA-N -1 1 320.353 0.635 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC/C=C\c2ccccc2)c1=O ZINC001581753718 1165867960 /nfs/dbraw/zinc/86/79/60/1165867960.db2.gz POWGLIICTZWSRE-UITAMQMPSA-N -1 1 324.344 0.831 20 0 DCADMM Cn1c(NC(=O)c2coc(-c3nnn[n-]3)c2)nc2cccnc21 ZINC001581753228 1165868457 /nfs/dbraw/zinc/86/84/57/1165868457.db2.gz SVXJWJXKDLMEPT-UHFFFAOYSA-N -1 1 310.277 0.994 20 0 DCADMM Cn1c(NC(=O)c2coc(-c3nn[n-]n3)c2)nc2cccnc21 ZINC001581753228 1165868474 /nfs/dbraw/zinc/86/84/74/1165868474.db2.gz SVXJWJXKDLMEPT-UHFFFAOYSA-N -1 1 310.277 0.994 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnn(C)c2C(F)F)n1 ZINC001581754485 1165868886 /nfs/dbraw/zinc/86/88/86/1165868886.db2.gz AQYCYXZTDCDUTB-UHFFFAOYSA-N -1 1 323.267 0.524 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnn(C)c2C(F)F)n1 ZINC001581754485 1165868890 /nfs/dbraw/zinc/86/88/90/1165868890.db2.gz AQYCYXZTDCDUTB-UHFFFAOYSA-N -1 1 323.267 0.524 20 0 DCADMM Cn1nccc1CCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581840141 1165886552 /nfs/dbraw/zinc/88/65/52/1165886552.db2.gz KWTQOHPYKYJXIP-UHFFFAOYSA-N -1 1 317.378 0.911 20 0 DCADMM NC(=O)CC1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001581891788 1165906443 /nfs/dbraw/zinc/90/64/43/1165906443.db2.gz VEJGAOUOAOJVEO-UHFFFAOYSA-N -1 1 320.378 0.656 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1noc2ccccc21 ZINC001581908819 1165910609 /nfs/dbraw/zinc/91/06/09/1165910609.db2.gz DCMLPLYTWNRFKZ-UHFFFAOYSA-N -1 1 310.277 0.670 20 0 DCADMM O=C(CC1CC1)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001581972614 1165927026 /nfs/dbraw/zinc/92/70/26/1165927026.db2.gz UIGCMKMZOZDNSQ-AOOOYVTPSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(CC1CC1)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001581972614 1165927032 /nfs/dbraw/zinc/92/70/32/1165927032.db2.gz UIGCMKMZOZDNSQ-AOOOYVTPSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(CCNc1ccnc(-c2nn[n-]n2)n1)NCc1ccccc1 ZINC001582055162 1165944972 /nfs/dbraw/zinc/94/49/72/1165944972.db2.gz GHRTXMYSPWJERU-UHFFFAOYSA-N -1 1 324.348 0.197 20 0 DCADMM O=C(N[C@H](CO)[C@@H]1CCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582231369 1165988546 /nfs/dbraw/zinc/98/85/46/1165988546.db2.gz PXSQUKRHPLFCEG-LDYMZIIASA-N -1 1 321.312 0.133 20 0 DCADMM O=C(N[C@H](CO)[C@@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582231369 1165988549 /nfs/dbraw/zinc/98/85/49/1165988549.db2.gz PXSQUKRHPLFCEG-LDYMZIIASA-N -1 1 321.312 0.133 20 0 DCADMM O=C(NCCC1(CO)CC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582496026 1166028441 /nfs/dbraw/zinc/02/84/41/1166028441.db2.gz XDWAALJKOPWCJA-UHFFFAOYSA-N -1 1 322.394 0.890 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1COCCO1 ZINC001582549982 1166038426 /nfs/dbraw/zinc/03/84/26/1166038426.db2.gz OJARSGCMGHMXBR-QMMMGPOBSA-N -1 1 324.366 0.143 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1Cc2ccccc2O1 ZINC001582554455 1166042456 /nfs/dbraw/zinc/04/24/56/1166042456.db2.gz KELPVTYMKQVQIM-AWEZNQCLSA-N -1 1 322.328 0.882 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1Cc2ccccc2O1 ZINC001582554455 1166042463 /nfs/dbraw/zinc/04/24/63/1166042463.db2.gz KELPVTYMKQVQIM-AWEZNQCLSA-N -1 1 322.328 0.882 20 0 DCADMM O=C(NCc1nc2c([nH]1)CCCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001582561250 1166045761 /nfs/dbraw/zinc/04/57/61/1166045761.db2.gz VCGZICNCXBNVPK-UHFFFAOYSA-N -1 1 313.321 0.992 20 0 DCADMM O=C(NCc1nc2c([nH]1)CCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001582561250 1166045769 /nfs/dbraw/zinc/04/57/69/1166045769.db2.gz VCGZICNCXBNVPK-UHFFFAOYSA-N -1 1 313.321 0.992 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C(=O)c1ccc2c(c1)CCC2 ZINC001582629972 1166054378 /nfs/dbraw/zinc/05/43/78/1166054378.db2.gz DRSSJSKBMHXHFI-UHFFFAOYSA-N -1 1 323.316 0.900 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C(=O)c1ccc2c(c1)CCC2 ZINC001582629972 1166054384 /nfs/dbraw/zinc/05/43/84/1166054384.db2.gz DRSSJSKBMHXHFI-UHFFFAOYSA-N -1 1 323.316 0.900 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H](O)CCc1ccccc1 ZINC001582629808 1166054397 /nfs/dbraw/zinc/05/43/97/1166054397.db2.gz BNINXZIAEDYIRU-LLVKDONJSA-N -1 1 313.321 0.522 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H](O)CCc1ccccc1 ZINC001582629808 1166054402 /nfs/dbraw/zinc/05/44/02/1166054402.db2.gz BNINXZIAEDYIRU-LLVKDONJSA-N -1 1 313.321 0.522 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1n[nH]c(=O)c2ccccc21 ZINC001582632172 1166056051 /nfs/dbraw/zinc/05/60/51/1166056051.db2.gz XEISPDAPKYHGBW-UHFFFAOYSA-N -1 1 323.276 0.491 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1n[nH]c(=O)c2ccccc21 ZINC001582632172 1166056056 /nfs/dbraw/zinc/05/60/56/1166056056.db2.gz XEISPDAPKYHGBW-UHFFFAOYSA-N -1 1 323.276 0.491 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(CO)on1 ZINC001582634267 1166056899 /nfs/dbraw/zinc/05/68/99/1166056899.db2.gz MUIOWCRDMIUJDK-UHFFFAOYSA-N -1 1 302.250 0.305 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001582647898 1166058747 /nfs/dbraw/zinc/05/87/47/1166058747.db2.gz HXGBKPWJHGARHX-TWXYISROSA-N -1 1 313.321 0.559 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001582647898 1166058750 /nfs/dbraw/zinc/05/87/50/1166058750.db2.gz HXGBKPWJHGARHX-TWXYISROSA-N -1 1 313.321 0.559 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1coc(=O)c2ccccc12 ZINC001582650330 1166061451 /nfs/dbraw/zinc/06/14/51/1166061451.db2.gz PILRYNPWTQSMMG-UHFFFAOYSA-N -1 1 323.272 0.949 20 0 DCADMM O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582777494 1166080067 /nfs/dbraw/zinc/08/00/67/1166080067.db2.gz AAXSCXOQNHEXIX-UHFFFAOYSA-N -1 1 324.304 0.266 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCNC(=O)c2ccccc21 ZINC001582787852 1166082583 /nfs/dbraw/zinc/08/25/83/1166082583.db2.gz RFDORIQAAXJSFG-UHFFFAOYSA-N -1 1 324.300 0.850 20 0 DCADMM O=S(=O)(NCc1ccncn1)c1ccsc1-c1nn[n-]n1 ZINC001582798059 1166084332 /nfs/dbraw/zinc/08/43/32/1166084332.db2.gz TVGPUVOKJMFEFZ-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CCCc1cccc(F)c1 ZINC001582806548 1166086997 /nfs/dbraw/zinc/08/69/97/1166086997.db2.gz NJVWZFHUFAQIMX-UHFFFAOYSA-N -1 1 316.296 0.901 20 0 DCADMM O[C@@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@@H]1O ZINC001582814262 1166093141 /nfs/dbraw/zinc/09/31/41/1166093141.db2.gz BUWWKBVEVGCAII-IEBDPFPHSA-N -1 1 317.353 0.220 20 0 DCADMM O[C@@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@@H]1O ZINC001582814262 1166093148 /nfs/dbraw/zinc/09/31/48/1166093148.db2.gz BUWWKBVEVGCAII-IEBDPFPHSA-N -1 1 317.353 0.220 20 0 DCADMM OCc1cc(CCNc2nccnc2-c2nnn[n-]2)ccc1O ZINC001582814063 1166094993 /nfs/dbraw/zinc/09/49/93/1166094993.db2.gz QYYPBNFCZROGDJ-UHFFFAOYSA-N -1 1 313.321 0.509 20 0 DCADMM OCc1cc(CCNc2nccnc2-c2nn[n-]n2)ccc1O ZINC001582814063 1166094995 /nfs/dbraw/zinc/09/49/95/1166094995.db2.gz QYYPBNFCZROGDJ-UHFFFAOYSA-N -1 1 313.321 0.509 20 0 DCADMM C[C@@H](CNC(=O)CCCCC(N)=O)NC(=O)c1ncccc1[O-] ZINC001584092363 1166306863 /nfs/dbraw/zinc/30/68/63/1166306863.db2.gz WDPHLAJTKACCTJ-JTQLQIEISA-N -1 1 322.365 0.067 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)Cc3ccc(Cl)cn3)nc2n1 ZINC001584142930 1166311656 /nfs/dbraw/zinc/31/16/56/1166311656.db2.gz ZOOFEWBFADOVJM-UHFFFAOYSA-N -1 1 318.724 0.956 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C=Cc2cn(C)cn2)n1 ZINC001584180912 1166312619 /nfs/dbraw/zinc/31/26/19/1166312619.db2.gz WRTGDSLJDAOQQL-SSJHQANKSA-N -1 1 318.337 0.606 20 0 DCADMM Nc1c(F)cc(Br)cc1C(=O)NCc1nn[n-]n1 ZINC001584967747 1166390348 /nfs/dbraw/zinc/39/03/48/1166390348.db2.gz HFQIRCRGJPFEOH-UHFFFAOYSA-N -1 1 315.106 0.614 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccn(CCC(N)=O)n1 ZINC001586534577 1166495499 /nfs/dbraw/zinc/49/54/99/1166495499.db2.gz MJCQHQRIMDOUAP-UHFFFAOYSA-N -1 1 322.350 0.104 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNc1ccccc1 ZINC001586790791 1166497933 /nfs/dbraw/zinc/49/79/33/1166497933.db2.gz HJTPOCSRXXTDMM-UHFFFAOYSA-N -1 1 304.306 0.738 20 0 DCADMM C=C/C(C)=C/CC(=O)NCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001588512528 1166556753 /nfs/dbraw/zinc/55/67/53/1166556753.db2.gz ISOYQWJAVSTGFF-ONNFQVAWSA-N -1 1 314.353 0.129 20 0 DCADMM CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588810618 1166594950 /nfs/dbraw/zinc/59/49/50/1166594950.db2.gz BCAKZOURTMQEJI-ZDUSSCGKSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588810618 1166594955 /nfs/dbraw/zinc/59/49/55/1166594955.db2.gz BCAKZOURTMQEJI-ZDUSSCGKSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588841758 1166606715 /nfs/dbraw/zinc/60/67/15/1166606715.db2.gz PYCNJPSNSLJGMG-WCBMZHEXSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588841758 1166606721 /nfs/dbraw/zinc/60/67/21/1166606721.db2.gz PYCNJPSNSLJGMG-WCBMZHEXSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)NCC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588857379 1166611139 /nfs/dbraw/zinc/61/11/39/1166611139.db2.gz HZERBSUDHWUOEM-NSHDSACASA-N -1 1 316.369 0.399 20 0 DCADMM CC(=O)NCC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588857379 1166611143 /nfs/dbraw/zinc/61/11/43/1166611143.db2.gz HZERBSUDHWUOEM-NSHDSACASA-N -1 1 316.369 0.399 20 0 DCADMM C[C@@H](C(=O)N1CCSC(C)(C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588960075 1166622373 /nfs/dbraw/zinc/62/23/73/1166622373.db2.gz OBKRBHXMUSZRMU-QMMMGPOBSA-N -1 1 322.398 0.373 20 0 DCADMM C[C@H](C(=O)N1OC2CCC1CC2)n1cnc(-c2nn[n-]n2)n1 ZINC001588965790 1166623558 /nfs/dbraw/zinc/62/35/58/1166623558.db2.gz LHLKLJCYLZNUNY-AFPNSQJFSA-N -1 1 304.314 0.104 20 0 DCADMM C[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)n1cccn1 ZINC001589000296 1166627549 /nfs/dbraw/zinc/62/75/49/1166627549.db2.gz XJVPXFPEOWLDGO-SSDOTTSWSA-N -1 1 304.339 0.397 20 0 DCADMM C[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)n1cccn1 ZINC001589000296 1166627554 /nfs/dbraw/zinc/62/75/54/1166627554.db2.gz XJVPXFPEOWLDGO-SSDOTTSWSA-N -1 1 304.339 0.397 20 0 DCADMM C[C@@H](C(=O)Nc1cccc(F)n1)n1cnc(-c2nn[n-]n2)n1 ZINC001589018701 1166628852 /nfs/dbraw/zinc/62/88/52/1166628852.db2.gz LELHYMBVZIPMBH-LURJTMIESA-N -1 1 303.261 0.192 20 0 DCADMM C[C@@H](C(=O)Nc1ccc(Cl)nn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589016142 1166629827 /nfs/dbraw/zinc/62/98/27/1166629827.db2.gz YQWNAYWZFLOGKU-YFKPBYRVSA-N -1 1 320.704 0.101 20 0 DCADMM C[C@@H](C(=O)OC[C@@]1(C)CCCO1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028630 1166631642 /nfs/dbraw/zinc/63/16/42/1166631642.db2.gz XCVLIGGROOGOFD-QPUJVOFHSA-N -1 1 307.314 0.132 20 0 DCADMM CC(C)(C)CCNC(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001589127206 1166635737 /nfs/dbraw/zinc/63/57/37/1166635737.db2.gz BKCISEQQZTXKPT-UHFFFAOYSA-N -1 1 304.354 0.581 20 0 DCADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)OCCO ZINC001589282928 1166642374 /nfs/dbraw/zinc/64/23/74/1166642374.db2.gz IFHDWTGYNMMIGW-UHFFFAOYSA-N -1 1 311.367 0.446 20 0 DCADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)OCCO ZINC001589282928 1166642378 /nfs/dbraw/zinc/64/23/78/1166642378.db2.gz IFHDWTGYNMMIGW-UHFFFAOYSA-N -1 1 311.367 0.446 20 0 DCADMM CC(C)(CNc1ccnc(-c2nnn[n-]2)c1)[C@]1(O)CCOC1 ZINC001589292798 1166644992 /nfs/dbraw/zinc/64/49/92/1166644992.db2.gz KOSDCCASKRFRSQ-AWEZNQCLSA-N -1 1 304.354 0.273 20 0 DCADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)c1)[C@]1(O)CCOC1 ZINC001589292798 1166644997 /nfs/dbraw/zinc/64/49/97/1166644997.db2.gz KOSDCCASKRFRSQ-AWEZNQCLSA-N -1 1 304.354 0.273 20 0 DCADMM CC(C)[C@H](C)NC(=O)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589436658 1166658911 /nfs/dbraw/zinc/65/89/11/1166658911.db2.gz DQAKJAYEGTXIGN-VIFPVBQESA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)[C@H](C)NC(=O)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589436658 1166658912 /nfs/dbraw/zinc/65/89/12/1166658912.db2.gz DQAKJAYEGTXIGN-VIFPVBQESA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ncon1 ZINC001589471351 1166661045 /nfs/dbraw/zinc/66/10/45/1166661045.db2.gz CCXZOQOMBNOWMG-VIFPVBQESA-N -1 1 303.282 0.970 20 0 DCADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ncon1 ZINC001589471351 1166661047 /nfs/dbraw/zinc/66/10/47/1166661047.db2.gz CCXZOQOMBNOWMG-VIFPVBQESA-N -1 1 303.282 0.970 20 0 DCADMM CC(C)[C@H](O)CCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001589479329 1166661197 /nfs/dbraw/zinc/66/11/97/1166661197.db2.gz CWBGUIPKYDHWFY-CYBMUJFWSA-N -1 1 303.366 0.924 20 0 DCADMM CC(C)C1(NS(=O)(=O)c2cccnc2-c2nn[n-]n2)CC1 ZINC001589495003 1166662998 /nfs/dbraw/zinc/66/29/98/1166662998.db2.gz SLZTVKGACXXVJA-UHFFFAOYSA-N -1 1 308.367 0.729 20 0 DCADMM CC(C)C1(O)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589494972 1166663266 /nfs/dbraw/zinc/66/32/66/1166663266.db2.gz SAUIGTCGAYAXSA-UHFFFAOYSA-N -1 1 303.326 0.496 20 0 DCADMM CC(C)C1(O)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589494972 1166663269 /nfs/dbraw/zinc/66/32/69/1166663269.db2.gz SAUIGTCGAYAXSA-UHFFFAOYSA-N -1 1 303.326 0.496 20 0 DCADMM CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589573210 1166667151 /nfs/dbraw/zinc/66/71/51/1166667151.db2.gz UTZHUTCEHAZMJO-SECBINFHSA-N -1 1 318.337 0.446 20 0 DCADMM CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589573210 1166667155 /nfs/dbraw/zinc/66/71/55/1166667155.db2.gz UTZHUTCEHAZMJO-SECBINFHSA-N -1 1 318.337 0.446 20 0 DCADMM CC(C)CN(C(=O)NCCn1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001589613102 1166667284 /nfs/dbraw/zinc/66/72/84/1166667284.db2.gz SESKOPFPXRPAHX-UHFFFAOYSA-N -1 1 321.389 0.534 20 0 DCADMM CC(C)NC(=O)[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589720265 1166675912 /nfs/dbraw/zinc/67/59/12/1166675912.db2.gz JWEMMGBFEMNIJN-MRVPVSSYSA-N -1 1 316.369 0.859 20 0 DCADMM CC(C)NC(=O)[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589720265 1166675915 /nfs/dbraw/zinc/67/59/15/1166675915.db2.gz JWEMMGBFEMNIJN-MRVPVSSYSA-N -1 1 316.369 0.859 20 0 DCADMM CC(C)OC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001589746286 1166680954 /nfs/dbraw/zinc/68/09/54/1166680954.db2.gz UBGMJVFDRKOWHQ-SNVBAGLBSA-N -1 1 305.342 0.287 20 0 DCADMM CC(C)OC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001589746286 1166680957 /nfs/dbraw/zinc/68/09/57/1166680957.db2.gz UBGMJVFDRKOWHQ-SNVBAGLBSA-N -1 1 305.342 0.287 20 0 DCADMM CC(C)c1nncn1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589778532 1166686794 /nfs/dbraw/zinc/68/67/94/1166686794.db2.gz OEPIMWMSDGSQCP-UHFFFAOYSA-N -1 1 300.330 0.484 20 0 DCADMM CC(C)c1nncn1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589778532 1166686799 /nfs/dbraw/zinc/68/67/99/1166686799.db2.gz OEPIMWMSDGSQCP-UHFFFAOYSA-N -1 1 300.330 0.484 20 0 DCADMM C[C@H](COCC1CC1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589885673 1166708243 /nfs/dbraw/zinc/70/82/43/1166708243.db2.gz OQCZFADNZRFWCI-SECBINFHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](COCC1CC1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589885673 1166708253 /nfs/dbraw/zinc/70/82/53/1166708253.db2.gz OQCZFADNZRFWCI-SECBINFHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](NC(=O)C1CC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589916649 1166718990 /nfs/dbraw/zinc/71/89/90/1166718990.db2.gz AJXOQCIZTACSOE-HTQZYQBOSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@@H](NC(=O)C1CC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589916649 1166718993 /nfs/dbraw/zinc/71/89/93/1166718993.db2.gz AJXOQCIZTACSOE-HTQZYQBOSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccn(C)n1 ZINC001589925386 1166721036 /nfs/dbraw/zinc/72/10/36/1166721036.db2.gz AUKHHRZWDACNFR-SECBINFHSA-N -1 1 312.337 0.415 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccn(C)n1 ZINC001589925386 1166721044 /nfs/dbraw/zinc/72/10/44/1166721044.db2.gz AUKHHRZWDACNFR-SECBINFHSA-N -1 1 312.337 0.415 20 0 DCADMM C[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001589925283 1166721234 /nfs/dbraw/zinc/72/12/34/1166721234.db2.gz DPZDYXHGCILGLZ-ZETCQYMHSA-N -1 1 304.339 0.397 20 0 DCADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)C1N=NC(=O)N1C ZINC001589975260 1166732048 /nfs/dbraw/zinc/73/20/48/1166732048.db2.gz BDQXRVKESVAWCY-YFKPBYRVSA-N -1 1 307.343 0.008 20 0 DCADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)C1N=NC(=O)N1C 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/nfs/dbraw/zinc/74/85/94/1166748594.db2.gz VNWZZICAZHDHPE-ZETCQYMHSA-N -1 1 312.280 0.350 20 0 DCADMM C[C@H](O)[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590001716 1166750689 /nfs/dbraw/zinc/75/06/89/1166750689.db2.gz VCOOLNDNUDNOEA-WCBMZHEXSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@H](O)[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590001716 1166750696 /nfs/dbraw/zinc/75/06/96/1166750696.db2.gz VCOOLNDNUDNOEA-WCBMZHEXSA-N -1 1 303.326 0.639 20 0 DCADMM CC1(C)[C@@H](O)CCN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590076370 1166767731 /nfs/dbraw/zinc/76/77/31/1166767731.db2.gz DOWOAQLMYSRATE-VIFPVBQESA-N -1 1 322.756 0.901 20 0 DCADMM CC1(C)CCC[C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590093541 1166772014 /nfs/dbraw/zinc/77/20/14/1166772014.db2.gz JOSPMAYJYGOBDN-SNVBAGLBSA-N -1 1 318.385 0.791 20 0 DCADMM CC1(C)CN(c2cc(-c3nnn[n-]3)ncn2)C[C@@]2(CCOC2)O1 ZINC001590105466 1166772843 /nfs/dbraw/zinc/77/28/43/1166772843.db2.gz BQGVHLKFEDEIRF-CQSZACIVSA-N -1 1 317.353 0.431 20 0 DCADMM CC1(C)CN(c2cc(-c3nn[n-]n3)ncn2)C[C@@]2(CCOC2)O1 ZINC001590105466 1166772849 /nfs/dbraw/zinc/77/28/49/1166772849.db2.gz BQGVHLKFEDEIRF-CQSZACIVSA-N -1 1 317.353 0.431 20 0 DCADMM CC1(C)COC[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590111123 1166777437 /nfs/dbraw/zinc/77/74/37/1166777437.db2.gz OIEAGSPNMDLFTG-SNVBAGLBSA-N -1 1 303.326 0.808 20 0 DCADMM CC1(C)COC[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590111123 1166777441 /nfs/dbraw/zinc/77/74/41/1166777441.db2.gz OIEAGSPNMDLFTG-SNVBAGLBSA-N -1 1 303.326 0.808 20 0 DCADMM CC1(CO)CN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001590136189 1166785146 /nfs/dbraw/zinc/78/51/46/1166785146.db2.gz JRSOPDWURCJTHN-UHFFFAOYSA-N -1 1 312.333 0.802 20 0 DCADMM C[C@@]1(O)CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590151242 1166789366 /nfs/dbraw/zinc/78/93/66/1166789366.db2.gz YFZGLDUIIHWNRM-CQSZACIVSA-N -1 1 302.338 0.639 20 0 DCADMM C[C@@]1(O)CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590151242 1166789370 /nfs/dbraw/zinc/78/93/70/1166789370.db2.gz 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CC[C@@H]1[C@@H](NC(C)=O)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590866312 1167041312 /nfs/dbraw/zinc/04/13/12/1167041312.db2.gz NEJJPSBPMCGLCH-GXSJLCMTSA-N -1 1 302.342 0.150 20 0 DCADMM CCc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)nn1C ZINC001590876799 1167043405 /nfs/dbraw/zinc/04/34/05/1167043405.db2.gz BFKUFYNNZHIGMR-UHFFFAOYSA-N -1 1 312.337 0.834 20 0 DCADMM CCc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)nn1C ZINC001590876799 1167043416 /nfs/dbraw/zinc/04/34/16/1167043416.db2.gz BFKUFYNNZHIGMR-UHFFFAOYSA-N -1 1 312.337 0.834 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC(N3CCCC3=O)C2)n1 ZINC001590905321 1167046739 /nfs/dbraw/zinc/04/67/39/1167046739.db2.gz UJGSTEIOMCWANC-UHFFFAOYSA-N -1 1 314.353 0.030 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC(N3CCCC3=O)C2)n1 ZINC001590905321 1167046744 /nfs/dbraw/zinc/04/67/44/1167046744.db2.gz UJGSTEIOMCWANC-UHFFFAOYSA-N -1 1 314.353 0.030 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](OCCOC)C2)n1 ZINC001590906109 1167046775 /nfs/dbraw/zinc/04/67/75/1167046775.db2.gz 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/nfs/dbraw/zinc/05/21/43/1167052143.db2.gz ZJVHPNSOXTXFFJ-VIFPVBQESA-N -1 1 307.358 0.683 20 0 DCADMM CCc1nc(N[C@@H](C)COCCOC)cc(-c2nn[n-]n2)n1 ZINC001590917515 1167052145 /nfs/dbraw/zinc/05/21/45/1167052145.db2.gz ZJVHPNSOXTXFFJ-VIFPVBQESA-N -1 1 307.358 0.683 20 0 DCADMM CCc1nc(NC[C@]2(C)CCC(=O)N2)cc(-c2nnn[n-]2)n1 ZINC001590918165 1167052230 /nfs/dbraw/zinc/05/22/30/1167052230.db2.gz UCWHTOUXMYRWRZ-ZDUSSCGKSA-N -1 1 302.342 0.300 20 0 DCADMM CCc1nc(NC[C@]2(C)CCC(=O)N2)cc(-c2nn[n-]n2)n1 ZINC001590918165 1167052233 /nfs/dbraw/zinc/05/22/33/1167052233.db2.gz UCWHTOUXMYRWRZ-ZDUSSCGKSA-N -1 1 302.342 0.300 20 0 DCADMM CCc1nnc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)n1C ZINC001590930918 1167054432 /nfs/dbraw/zinc/05/44/32/1167054432.db2.gz RFYDHXAXDNGODM-UHFFFAOYSA-N -1 1 317.309 0.816 20 0 DCADMM CCc1nnc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)n1C ZINC001590930918 1167054437 /nfs/dbraw/zinc/05/44/37/1167054437.db2.gz RFYDHXAXDNGODM-UHFFFAOYSA-N -1 1 317.309 0.816 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(F)(F)CC)c1=O ZINC001590949258 1167056921 /nfs/dbraw/zinc/05/69/21/1167056921.db2.gz DRNNQPADRIGNMS-UHFFFAOYSA-N -1 1 300.269 0.255 20 0 DCADMM CCn1cnnc1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590962943 1167059891 /nfs/dbraw/zinc/05/98/91/1167059891.db2.gz CEEZGWVKUKHLJW-UHFFFAOYSA-N -1 1 312.341 0.758 20 0 DCADMM CCn1cnnc1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590962943 1167059894 /nfs/dbraw/zinc/05/98/94/1167059894.db2.gz CEEZGWVKUKHLJW-UHFFFAOYSA-N -1 1 312.341 0.758 20 0 DCADMM CN(C(=O)[C@H]1C[C@@]12CCOC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001590975918 1167063797 /nfs/dbraw/zinc/06/37/97/1167063797.db2.gz ITMAZWDPLFOVJR-QMTHXVAHSA-N -1 1 300.322 0.651 20 0 DCADMM CN(C(=O)[C@H]1C[C@@]12CCOC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001590975918 1167063803 /nfs/dbraw/zinc/06/38/03/1167063803.db2.gz ITMAZWDPLFOVJR-QMTHXVAHSA-N -1 1 300.322 0.651 20 0 DCADMM CN(C(=O)CCc1ccnn1C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590981840 1167066446 /nfs/dbraw/zinc/06/64/46/1167066446.db2.gz 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/nfs/dbraw/zinc/09/40/48/1167094048.db2.gz MRDMEYDGHPIYHE-GFCCVEGCSA-N -1 1 311.349 0.697 20 0 DCADMM CN(C[C@H](O)Cc1ccccc1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591051220 1167094055 /nfs/dbraw/zinc/09/40/55/1167094055.db2.gz MRDMEYDGHPIYHE-GFCCVEGCSA-N -1 1 311.349 0.697 20 0 DCADMM CN(CCC(N)=O)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001591064158 1167097388 /nfs/dbraw/zinc/09/73/88/1167097388.db2.gz BVBYRGBAXLHYQY-UHFFFAOYSA-N -1 1 315.259 0.592 20 0 DCADMM CN(CCC(N)=O)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001591064158 1167097392 /nfs/dbraw/zinc/09/73/92/1167097392.db2.gz BVBYRGBAXLHYQY-UHFFFAOYSA-N -1 1 315.259 0.592 20 0 DCADMM CN(CC1CCOCC1)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001591063900 1167097971 /nfs/dbraw/zinc/09/79/71/1167097971.db2.gz DKERRZPSXYFSOF-UHFFFAOYSA-N -1 1 304.354 0.344 20 0 DCADMM CN(CCS(C)(=O)=O)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591117245 1167105210 /nfs/dbraw/zinc/10/52/10/1167105210.db2.gz OSKFKSKOPTWAAB-UHFFFAOYSA-N -1 1 322.803 0.457 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)/C=C/C1CC1 ZINC001591107817 1167105479 /nfs/dbraw/zinc/10/54/79/1167105479.db2.gz GCGBRWVWEPALDP-SNAWJCMRSA-N -1 1 314.353 0.493 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)/C=C/C1CC1 ZINC001591107817 1167105482 /nfs/dbraw/zinc/10/54/82/1167105482.db2.gz GCGBRWVWEPALDP-SNAWJCMRSA-N -1 1 314.353 0.493 20 0 DCADMM CN(CCNC(=O)c1cccc(-c2nnn[n-]2)n1)CC(F)F ZINC001591100956 1167105526 /nfs/dbraw/zinc/10/55/26/1167105526.db2.gz MZXXZRVWQSKLNG-UHFFFAOYSA-N -1 1 311.296 0.188 20 0 DCADMM CN(CCNC(=O)c1cccc(-c2nn[n-]n2)n1)CC(F)F ZINC001591100956 1167105529 /nfs/dbraw/zinc/10/55/29/1167105529.db2.gz MZXXZRVWQSKLNG-UHFFFAOYSA-N -1 1 311.296 0.188 20 0 DCADMM CN1C(=O)CCC[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591164221 1167122097 /nfs/dbraw/zinc/12/20/97/1167122097.db2.gz KHDNUPGBOLJXIO-LURJTMIESA-N -1 1 307.339 0.273 20 0 DCADMM CN1C(=O)CCC[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591164221 1167122098 /nfs/dbraw/zinc/12/20/98/1167122098.db2.gz KHDNUPGBOLJXIO-LURJTMIESA-N 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COC(=O)C1(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001591244681 1167174741 /nfs/dbraw/zinc/17/47/41/1167174741.db2.gz AJGFFQIFSGSHFH-UHFFFAOYSA-N -1 1 303.282 0.089 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591251403 1167179384 /nfs/dbraw/zinc/17/93/84/1167179384.db2.gz BVWGPFVTABZCQO-SSDOTTSWSA-N -1 1 307.335 0.563 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001591251403 1167179387 /nfs/dbraw/zinc/17/93/87/1167179387.db2.gz BVWGPFVTABZCQO-SSDOTTSWSA-N -1 1 307.335 0.563 20 0 DCADMM COC(=O)CCCN(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591262285 1167183610 /nfs/dbraw/zinc/18/36/10/1167183610.db2.gz QJBGGPDBUAIZHI-UHFFFAOYSA-N -1 1 304.310 0.287 20 0 DCADMM COC(=O)CCCN(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591262285 1167183615 /nfs/dbraw/zinc/18/36/15/1167183615.db2.gz QJBGGPDBUAIZHI-UHFFFAOYSA-N -1 1 304.310 0.287 20 0 DCADMM COC(=O)N[C@@H](C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001591275586 1167193361 /nfs/dbraw/zinc/19/33/61/1167193361.db2.gz OZOIFUGGKSAIDG-LURJTMIESA-N -1 1 306.282 0.255 20 0 DCADMM COC(=O)c1ccc(Nc2cnn(C)c2)c(-c2nnn[n-]2)n1 ZINC001591297371 1167206298 /nfs/dbraw/zinc/20/62/98/1167206298.db2.gz QMYMPNHHCOUTFJ-UHFFFAOYSA-N -1 1 300.282 0.525 20 0 DCADMM COC(=O)c1ccc(Nc2cnn(C)c2)c(-c2nn[n-]n2)n1 ZINC001591297371 1167206302 /nfs/dbraw/zinc/20/63/02/1167206302.db2.gz QMYMPNHHCOUTFJ-UHFFFAOYSA-N -1 1 300.282 0.525 20 0 DCADMM COC(C)(C)C(=O)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591313573 1167208662 /nfs/dbraw/zinc/20/86/62/1167208662.db2.gz BPSTYYDIAFNHMY-UHFFFAOYSA-N -1 1 305.294 0.413 20 0 DCADMM COC(C)(C)C(=O)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591313573 1167208666 /nfs/dbraw/zinc/20/86/66/1167208666.db2.gz BPSTYYDIAFNHMY-UHFFFAOYSA-N -1 1 305.294 0.413 20 0 DCADMM CO[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)C(F)(F)F ZINC001591328511 1167216480 /nfs/dbraw/zinc/21/64/80/1167216480.db2.gz AGBCBHSAOIYUKM-ZETCQYMHSA-N -1 1 305.216 0.767 20 0 DCADMM CO[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)C(F)(F)F ZINC001591328511 1167216483 /nfs/dbraw/zinc/21/64/83/1167216483.db2.gz AGBCBHSAOIYUKM-ZETCQYMHSA-N -1 1 305.216 0.767 20 0 DCADMM COC1(OC)CC(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591346814 1167227511 /nfs/dbraw/zinc/22/75/11/1167227511.db2.gz PPRPHFMAUBBDEI-UHFFFAOYSA-N -1 1 319.325 0.535 20 0 DCADMM COC1(OC)CC(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591346814 1167227518 /nfs/dbraw/zinc/22/75/18/1167227518.db2.gz PPRPHFMAUBBDEI-UHFFFAOYSA-N -1 1 319.325 0.535 20 0 DCADMM CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001591354041 1167232015 /nfs/dbraw/zinc/23/20/15/1167232015.db2.gz IALBJZXCCZYYCC-HOSYDEDBSA-N -1 1 319.369 0.635 20 0 DCADMM CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001591354041 1167232020 /nfs/dbraw/zinc/23/20/20/1167232020.db2.gz IALBJZXCCZYYCC-HOSYDEDBSA-N -1 1 319.369 0.635 20 0 DCADMM CO[C@@H]1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)CC1(C)C ZINC001591358935 1167234133 /nfs/dbraw/zinc/23/41/33/1167234133.db2.gz SSMWUMZYEVFDJA-GFCCVEGCSA-N -1 1 318.381 0.733 20 0 DCADMM CO[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC001591359245 1167234258 /nfs/dbraw/zinc/23/42/58/1167234258.db2.gz DKRBXBMMHYVIJM-NSHDSACASA-N -1 1 313.321 0.619 20 0 DCADMM CO[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC001591359245 1167234261 /nfs/dbraw/zinc/23/42/61/1167234261.db2.gz DKRBXBMMHYVIJM-NSHDSACASA-N -1 1 313.321 0.619 20 0 DCADMM COCC(=O)Cn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001591363828 1167238767 /nfs/dbraw/zinc/23/87/67/1167238767.db2.gz FSXVIQCVEROGOQ-UHFFFAOYSA-N -1 1 317.227 0.263 20 0 DCADMM COC[C@@H](CCO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591376759 1167246288 /nfs/dbraw/zinc/24/62/88/1167246288.db2.gz VVNIFQVAVKEXDZ-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM COC[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001591382516 1167252107 /nfs/dbraw/zinc/25/21/07/1167252107.db2.gz UJJOTAFBKYCUFI-LLVKDONJSA-N -1 1 321.337 0.631 20 0 DCADMM COC[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001591382516 1167252112 /nfs/dbraw/zinc/25/21/12/1167252112.db2.gz UJJOTAFBKYCUFI-LLVKDONJSA-N -1 1 321.337 0.631 20 0 DCADMM COC[C@@]1(C(=O)OC)CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001591387021 1167253670 /nfs/dbraw/zinc/25/36/70/1167253670.db2.gz LXNQWIHZFBDAAW-CQSZACIVSA-N -1 1 318.337 0.420 20 0 DCADMM COC[C@@]1(C(=O)OC)CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001591387021 1167253673 /nfs/dbraw/zinc/25/36/73/1167253673.db2.gz LXNQWIHZFBDAAW-CQSZACIVSA-N -1 1 318.337 0.420 20 0 DCADMM COC[C@H]1CCCN1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591394572 1167264966 /nfs/dbraw/zinc/26/49/66/1167264966.db2.gz WSYYLEMKYBWEBM-MRVPVSSYSA-N -1 1 308.367 0.684 20 0 DCADMM COC[C@H]1CCCN1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591394572 1167264969 /nfs/dbraw/zinc/26/49/69/1167264969.db2.gz WSYYLEMKYBWEBM-MRVPVSSYSA-N -1 1 308.367 0.684 20 0 DCADMM COCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591422062 1167277154 /nfs/dbraw/zinc/27/71/54/1167277154.db2.gz SWBXLQQQAUHRRO-UHFFFAOYSA-N -1 1 303.369 0.195 20 0 DCADMM COCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591422062 1167277162 /nfs/dbraw/zinc/27/71/62/1167277162.db2.gz SWBXLQQQAUHRRO-UHFFFAOYSA-N -1 1 303.369 0.195 20 0 DCADMM COCOCCCNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001591451805 1167291353 /nfs/dbraw/zinc/29/13/53/1167291353.db2.gz CTCRCDNLMKPUFO-UHFFFAOYSA-N -1 1 322.325 0.016 20 0 DCADMM COCc1nc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cs1 ZINC001591460171 1167294102 /nfs/dbraw/zinc/29/41/02/1167294102.db2.gz OTJVSQHDUXKIOM-UHFFFAOYSA-N -1 1 320.338 0.753 20 0 DCADMM CON(CC(C)(C)C)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591464345 1167297510 /nfs/dbraw/zinc/29/75/10/1167297510.db2.gz HMXFTLIWSWMDQZ-MRVPVSSYSA-N -1 1 308.346 0.455 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591468020 1167302521 /nfs/dbraw/zinc/30/25/21/1167302521.db2.gz BWHDUQNDVFGMLN-HTQZYQBOSA-N -1 1 309.351 0.462 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591468020 1167302525 /nfs/dbraw/zinc/30/25/25/1167302525.db2.gz BWHDUQNDVFGMLN-HTQZYQBOSA-N -1 1 309.351 0.462 20 0 DCADMM CO[C@@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)C[C@@H]1OC ZINC001591472897 1167304685 /nfs/dbraw/zinc/30/46/85/1167304685.db2.gz KUXOFANWLMMKHP-DTORHVGOSA-N -1 1 309.351 0.414 20 0 DCADMM COc1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)ccc1F ZINC001591517352 1167320048 /nfs/dbraw/zinc/32/00/48/1167320048.db2.gz RJXGGBPJWPUGJV-UHFFFAOYSA-N -1 1 303.257 0.990 20 0 DCADMM COc1cc(CN(C)c2ccnc(-c3nn[n-]n3)n2)sn1 ZINC001591526955 1167321746 /nfs/dbraw/zinc/32/17/46/1167321746.db2.gz ZDLUHTBYGQJYRT-UHFFFAOYSA-N -1 1 304.339 0.758 20 0 DCADMM COc1cc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)sn1 ZINC001591540137 1167327353 /nfs/dbraw/zinc/32/73/53/1167327353.db2.gz OCCMHEBESKDEHH-UHFFFAOYSA-N -1 1 304.335 0.850 20 0 DCADMM COc1ccc(OC)c([C@@H](O)Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001591619465 1167340817 /nfs/dbraw/zinc/34/08/17/1167340817.db2.gz JXUQNUNFBWQMDQ-NSHDSACASA-N -1 1 317.309 0.209 20 0 DCADMM COc1nc(C)ccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001591662288 1167343569 /nfs/dbraw/zinc/34/35/69/1167343569.db2.gz KBSWGFHWCOLBOT-UHFFFAOYSA-N -1 1 300.282 0.554 20 0 DCADMM COc1nc(C)ccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001591662288 1167343575 /nfs/dbraw/zinc/34/35/75/1167343575.db2.gz KBSWGFHWCOLBOT-UHFFFAOYSA-N -1 1 300.282 0.554 20 0 DCADMM COc1ncc(NC(=O)c2csnn2)cc1-c1nn[n-]n1 ZINC001591668061 1167345223 /nfs/dbraw/zinc/34/52/23/1167345223.db2.gz OOGRMYNUXRJIER-UHFFFAOYSA-N -1 1 304.295 0.374 20 0 DCADMM COc1ncc(NC(=O)c2nccs2)cc1-c1nn[n-]n1 ZINC001591668295 1167345515 /nfs/dbraw/zinc/34/55/15/1167345515.db2.gz WMUHZUQQFGCMLW-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM CS(=O)(=O)C1(CNc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001591671287 1167345634 /nfs/dbraw/zinc/34/56/34/1167345634.db2.gz BSMDGZJTGMBCRA-UHFFFAOYSA-N -1 1 308.367 0.641 20 0 DCADMM CS(=O)(=O)C1(CNc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001591671287 1167345639 /nfs/dbraw/zinc/34/56/39/1167345639.db2.gz BSMDGZJTGMBCRA-UHFFFAOYSA-N -1 1 308.367 0.641 20 0 DCADMM CS(=O)(=O)C1(CNc2cc(-c3nnn[n-]3)ncn2)CCC1 ZINC001591671292 1167346733 /nfs/dbraw/zinc/34/67/33/1167346733.db2.gz CBFKSTDUUITKIH-UHFFFAOYSA-N -1 1 309.355 0.036 20 0 DCADMM CS(=O)(=O)C1(CNc2cc(-c3nn[n-]n3)ncn2)CCC1 ZINC001591671292 1167346738 /nfs/dbraw/zinc/34/67/38/1167346738.db2.gz CBFKSTDUUITKIH-UHFFFAOYSA-N -1 1 309.355 0.036 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCN(Cc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591672570 1167348428 /nfs/dbraw/zinc/34/84/28/1167348428.db2.gz AEFATQHKDFMBIA-LLVKDONJSA-N -1 1 322.394 0.271 20 0 DCADMM C[S@](=O)[C@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001591682201 1167351411 /nfs/dbraw/zinc/35/14/11/1167351411.db2.gz GFCIVOQMZLSODJ-HORACTTISA-N -1 1 307.383 0.758 20 0 DCADMM C[S@](=O)[C@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001591682201 1167351418 /nfs/dbraw/zinc/35/14/18/1167351418.db2.gz GFCIVOQMZLSODJ-HORACTTISA-N -1 1 307.383 0.758 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)F ZINC001591764341 1167368870 /nfs/dbraw/zinc/36/88/70/1167368870.db2.gz QRZXJDJIBAHEDN-SSDOTTSWSA-N -1 1 308.321 0.321 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)F ZINC001591764341 1167368873 /nfs/dbraw/zinc/36/88/73/1167368873.db2.gz QRZXJDJIBAHEDN-SSDOTTSWSA-N -1 1 308.321 0.321 20 0 DCADMM C[C@@]12COC[C@]1(C)CN(C(=O)c1cccc(-c3nnn[n-]3)n1)C2 ZINC001591780289 1167375851 /nfs/dbraw/zinc/37/58/51/1167375851.db2.gz HZLBNIWBWZVGTO-GASCZTMLSA-N -1 1 314.349 0.760 20 0 DCADMM C[C@@]12COC[C@]1(C)CN(C(=O)c1cccc(-c3nn[n-]n3)n1)C2 ZINC001591780289 1167375859 /nfs/dbraw/zinc/37/58/59/1167375859.db2.gz HZLBNIWBWZVGTO-GASCZTMLSA-N -1 1 314.349 0.760 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCOCC1CC1 ZINC001591835565 1167390310 /nfs/dbraw/zinc/39/03/10/1167390310.db2.gz LPZFSXSWERGIAO-UHFFFAOYSA-N -1 1 318.337 0.432 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)C[C@H]1CCOC1 ZINC001591833469 1167391235 /nfs/dbraw/zinc/39/12/35/1167391235.db2.gz BDHJRHDXAOUVFO-SECBINFHSA-N -1 1 318.337 0.384 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC001591882141 1167408722 /nfs/dbraw/zinc/40/87/22/1167408722.db2.gz FODJXRSFLSTEBX-SECBINFHSA-N -1 1 302.342 0.022 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC001591882141 1167408725 /nfs/dbraw/zinc/40/87/25/1167408725.db2.gz FODJXRSFLSTEBX-SECBINFHSA-N -1 1 302.342 0.022 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(C2)CCCOC3)n1 ZINC001591886796 1167411800 /nfs/dbraw/zinc/41/18/00/1167411800.db2.gz FTMXRRPMSCHZQM-CQSZACIVSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(C2)CCCOC3)n1 ZINC001591886796 1167411801 /nfs/dbraw/zinc/41/18/01/1167411801.db2.gz FTMXRRPMSCHZQM-CQSZACIVSA-N -1 1 301.354 0.972 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@H]2[C@H]2CCCO2)n1 ZINC001591888920 1167411997 /nfs/dbraw/zinc/41/19/97/1167411997.db2.gz UGFZJMMJYVGSTK-NWDGAFQWSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@H]2[C@H]2CCCO2)n1 ZINC001591888920 1167412002 /nfs/dbraw/zinc/41/20/02/1167412002.db2.gz UGFZJMMJYVGSTK-NWDGAFQWSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](CO)c2cccnc2)n1 ZINC001591894825 1167413697 /nfs/dbraw/zinc/41/36/97/1167413697.db2.gz YJCUOJFIJAUPCP-NSHDSACASA-N -1 1 312.337 0.548 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](CO)c2cccnc2)n1 ZINC001591894825 1167413699 /nfs/dbraw/zinc/41/36/99/1167413699.db2.gz YJCUOJFIJAUPCP-NSHDSACASA-N -1 1 312.337 0.548 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC001591893864 1167413969 /nfs/dbraw/zinc/41/39/69/1167413969.db2.gz UFTSVJFRNPQUIX-YGRLFVJLSA-N -1 1 317.353 0.715 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC001591893864 1167413972 /nfs/dbraw/zinc/41/39/72/1167413972.db2.gz UFTSVJFRNPQUIX-YGRLFVJLSA-N -1 1 317.353 0.715 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H](O)C(F)(F)F)n1 ZINC001591890715 1167414103 /nfs/dbraw/zinc/41/41/03/1167414103.db2.gz MUQJCMALBKBPKU-FSPLSTOPSA-N -1 1 303.248 0.689 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H](O)C(F)(F)F)n1 ZINC001591890715 1167414105 /nfs/dbraw/zinc/41/41/05/1167414105.db2.gz MUQJCMALBKBPKU-FSPLSTOPSA-N -1 1 303.248 0.689 20 0 DCADMM Cc1cc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C)o1 ZINC001591938774 1167422582 /nfs/dbraw/zinc/42/25/82/1167422582.db2.gz CEAHVWJTODIHBA-MRVPVSSYSA-N -1 1 316.325 0.545 20 0 DCADMM Cc1cc(N2CC[S@@](=O)C[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592009115 1167434976 /nfs/dbraw/zinc/43/49/76/1167434976.db2.gz SFLGKLJYLUENPJ-AOUSDQRYSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1cc(N2CC[S@@](=O)C[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592009115 1167434977 /nfs/dbraw/zinc/43/49/77/1167434977.db2.gz SFLGKLJYLUENPJ-AOUSDQRYSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001592114641 1167458047 /nfs/dbraw/zinc/45/80/47/1167458047.db2.gz RVJATLGYVMBHHM-IAQYHMDHSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001592114641 1167458053 /nfs/dbraw/zinc/45/80/53/1167458053.db2.gz RVJATLGYVMBHHM-IAQYHMDHSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001592110093 1167459042 /nfs/dbraw/zinc/45/90/42/1167459042.db2.gz JMORZQOAZYTUMY-SNVBAGLBSA-N -1 1 322.394 0.584 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001592110093 1167459058 /nfs/dbraw/zinc/45/90/58/1167459058.db2.gz JMORZQOAZYTUMY-SNVBAGLBSA-N -1 1 322.394 0.584 20 0 DCADMM Cc1ccc2c(Cn3cnc(-c4nn[n-]n4)n3)cc(=O)oc2c1 ZINC001592203548 1167474609 /nfs/dbraw/zinc/47/46/09/1167474609.db2.gz ABQZZVDLXUXRFI-UHFFFAOYSA-N -1 1 309.289 0.921 20 0 DCADMM Cc1ccn(CN2CCOC(C)(C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266435 1167479751 /nfs/dbraw/zinc/47/97/51/1167479751.db2.gz BWTRYNWRVKQRJI-UHFFFAOYSA-N -1 1 304.354 0.405 20 0 DCADMM Cc1ccn(CN2CCCOC(C)(C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592267665 1167480821 /nfs/dbraw/zinc/48/08/21/1167480821.db2.gz UKFISMDUGNPAGO-UHFFFAOYSA-N -1 1 318.381 0.795 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2CCc3cccnc32)c1-c1nn[n-]n1 ZINC001592328532 1167489329 /nfs/dbraw/zinc/48/93/29/1167489329.db2.gz UUTPGEFHDYTPBF-VIFPVBQESA-N -1 1 310.321 0.962 20 0 DCADMM Cc1[nH]nc(NC(=O)C[C@@H]2CCC(=O)[C@@H]2C)c1-c1nn[n-]n1 ZINC001592328715 1167490260 /nfs/dbraw/zinc/49/02/60/1167490260.db2.gz VRTDKEGOLDEWLJ-SVRRBLITSA-N -1 1 303.326 0.842 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)n1 ZINC001592337348 1167494102 /nfs/dbraw/zinc/49/41/02/1167494102.db2.gz HNRGLRPKIWKXOW-BNMUBRSASA-N -1 1 319.394 0.455 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3CC[C@@H](C2)[S@]3=O)n1 ZINC001592337348 1167494105 /nfs/dbraw/zinc/49/41/05/1167494105.db2.gz HNRGLRPKIWKXOW-BNMUBRSASA-N -1 1 319.394 0.455 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@@]3(CCO[C@H]3C)C2)n1 ZINC001592341670 1167495433 /nfs/dbraw/zinc/49/54/33/1167495433.db2.gz ZIZDJVBZTFNIIC-XPTSAGLGSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@@]3(CCO[C@H]3C)C2)n1 ZINC001592341670 1167495436 /nfs/dbraw/zinc/49/54/36/1167495436.db2.gz ZIZDJVBZTFNIIC-XPTSAGLGSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(CN(C)C(=O)c2csc(-c3nn[n-]n3)c2)no1 ZINC001592360697 1167505643 /nfs/dbraw/zinc/50/56/43/1167505643.db2.gz TVENBWJMNJUMMF-UHFFFAOYSA-N -1 1 305.323 0.892 20 0 DCADMM Cc1nc(NCc2noc3c2COCC3)cc(-c2nnn[n-]2)n1 ZINC001592394752 1167511385 /nfs/dbraw/zinc/51/13/85/1167511385.db2.gz WTALLULLGZVLAW-UHFFFAOYSA-N -1 1 314.309 0.638 20 0 DCADMM Cc1nc(NCc2noc3c2COCC3)cc(-c2nn[n-]n2)n1 ZINC001592394752 1167511392 /nfs/dbraw/zinc/51/13/92/1167511392.db2.gz WTALLULLGZVLAW-UHFFFAOYSA-N -1 1 314.309 0.638 20 0 DCADMM Cc1nn(CCC(=O)OC(C)(C)C)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436862 1167523062 /nfs/dbraw/zinc/52/30/62/1167523062.db2.gz DLJHRKAQWDSBGO-UHFFFAOYSA-N -1 1 320.353 0.772 20 0 DCADMM Cc1nn(Cc2nnc(C3CC3)o2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438142 1167523704 /nfs/dbraw/zinc/52/37/04/1167523704.db2.gz SFDPSGQVQLNPIK-UHFFFAOYSA-N -1 1 314.309 0.349 20 0 DCADMM Cc1nnc(CC(=O)Nc2snc(C)c2-c2nnn[n-]2)o1 ZINC001592441794 1167525231 /nfs/dbraw/zinc/52/52/31/1167525231.db2.gz ZABBTLKAJHJHQG-UHFFFAOYSA-N -1 1 306.311 0.504 20 0 DCADMM Cc1nnc(CC(=O)Nc2snc(C)c2-c2nn[n-]n2)o1 ZINC001592441794 1167525233 /nfs/dbraw/zinc/52/52/33/1167525233.db2.gz ZABBTLKAJHJHQG-UHFFFAOYSA-N -1 1 306.311 0.504 20 0 DCADMM Cc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n1C1CC1 ZINC001592446483 1167526800 /nfs/dbraw/zinc/52/68/00/1167526800.db2.gz DXCYFHTXVKZIHI-UHFFFAOYSA-N -1 1 300.282 0.947 20 0 DCADMM Cc1nsc(N(C)CCNC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001592470636 1167533128 /nfs/dbraw/zinc/53/31/28/1167533128.db2.gz HRGUOMWSHAWAIV-UHFFFAOYSA-N -1 1 307.383 0.594 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](CO)C(C)C)c1-c1nnn[n-]1 ZINC001592484032 1167537584 /nfs/dbraw/zinc/53/75/84/1167537584.db2.gz XLSPNYHCZZTRRF-SSDOTTSWSA-N -1 1 311.371 0.770 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](CO)C(C)C)c1-c1nn[n-]n1 ZINC001592484032 1167537592 /nfs/dbraw/zinc/53/75/92/1167537592.db2.gz XLSPNYHCZZTRRF-SSDOTTSWSA-N -1 1 311.371 0.770 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2CCOC2=O)c1-c1nnn[n-]1 ZINC001592483989 1167538473 /nfs/dbraw/zinc/53/84/73/1167538473.db2.gz URGNZSOXUNMNJI-YFKPBYRVSA-N -1 1 309.311 0.069 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2CCOC2=O)c1-c1nn[n-]n1 ZINC001592483989 1167538475 /nfs/dbraw/zinc/53/84/75/1167538475.db2.gz URGNZSOXUNMNJI-YFKPBYRVSA-N -1 1 309.311 0.069 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)c1nnnn1C ZINC001592502682 1167541221 /nfs/dbraw/zinc/54/12/21/1167541221.db2.gz VKOJWGFFYPMAAV-ZCFIWIBFSA-N -1 1 304.270 0.210 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)c1nnnn1C ZINC001592502682 1167541225 /nfs/dbraw/zinc/54/12/25/1167541225.db2.gz VKOJWGFFYPMAAV-ZCFIWIBFSA-N -1 1 304.270 0.210 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@]1(C)COC(=O)N1 ZINC001592503247 1167543494 /nfs/dbraw/zinc/54/34/94/1167543494.db2.gz DOEXORYPTJRSRV-GFCCVEGCSA-N -1 1 307.266 0.423 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@]1(C)COC(=O)N1 ZINC001592503247 1167543502 /nfs/dbraw/zinc/54/35/02/1167543502.db2.gz DOEXORYPTJRSRV-GFCCVEGCSA-N -1 1 307.266 0.423 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCn2ccnc2C1 ZINC001592503368 1167544185 /nfs/dbraw/zinc/54/41/85/1167544185.db2.gz TVQARKFWLSRVQU-SECBINFHSA-N -1 1 313.321 0.709 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCn2ccnc2C1 ZINC001592503368 1167544192 /nfs/dbraw/zinc/54/41/92/1167544192.db2.gz TVQARKFWLSRVQU-SECBINFHSA-N -1 1 313.321 0.709 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1CCCC(=O)N1 ZINC001592503986 1167544266 /nfs/dbraw/zinc/54/42/66/1167544266.db2.gz OCEODSLWISRVCH-MRVPVSSYSA-N -1 1 305.294 0.594 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1CCCC(=O)N1 ZINC001592503986 1167544267 /nfs/dbraw/zinc/54/42/67/1167544267.db2.gz OCEODSLWISRVCH-MRVPVSSYSA-N -1 1 305.294 0.594 20 0 DCADMM Cc1onc(CC(=O)NCCc2ccns2)c1-c1nnn[n-]1 ZINC001592516729 1167546417 /nfs/dbraw/zinc/54/64/17/1167546417.db2.gz CWQGWVSQEFHVCN-UHFFFAOYSA-N -1 1 319.350 0.521 20 0 DCADMM Cc1onc(CC(=O)NCCc2ccns2)c1-c1nn[n-]n1 ZINC001592516729 1167546426 /nfs/dbraw/zinc/54/64/26/1167546426.db2.gz CWQGWVSQEFHVCN-UHFFFAOYSA-N -1 1 319.350 0.521 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@H]2CCCCS2)c(-c2nn[n-]n2)c1=O ZINC001592545505 1167548883 /nfs/dbraw/zinc/54/88/83/1167548883.db2.gz BMNNVOZODFCGNJ-SSDOTTSWSA-N -1 1 323.382 0.364 20 0 DCADMM Clc1ccc(N2CCn3nncc3C2)nc1-c1nnn[n-]1 ZINC001592532013 1167549906 /nfs/dbraw/zinc/54/99/06/1167549906.db2.gz GYNQXPGAFLZRTG-UHFFFAOYSA-N -1 1 303.717 0.527 20 0 DCADMM Clc1ccc(N2CCn3nncc3C2)nc1-c1nn[n-]n1 ZINC001592532013 1167549914 /nfs/dbraw/zinc/54/99/14/1167549914.db2.gz GYNQXPGAFLZRTG-UHFFFAOYSA-N -1 1 303.717 0.527 20 0 DCADMM Clc1ccc2nc(Cn3cnc(-c4nn[n-]n4)n3)cn2c1 ZINC001592532739 1167550022 /nfs/dbraw/zinc/55/00/22/1167550022.db2.gz AJZNFFNCAAIBBN-UHFFFAOYSA-N -1 1 301.701 0.808 20 0 DCADMM Cn1c(=O)[nH]c(SCC2CCCC2)c(-c2nn[n-]n2)c1=O ZINC001592545441 1167550549 /nfs/dbraw/zinc/55/05/49/1167550549.db2.gz XDIKAUBZZDLUHB-UHFFFAOYSA-N -1 1 308.367 0.536 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2CC[C@H]3C[C@H]3C2)c(-c2nn[n-]n2)c1=O ZINC001592546234 1167551324 /nfs/dbraw/zinc/55/13/24/1167551324.db2.gz LJLAALXHNVWPGK-BIIVOSGPSA-N -1 1 303.326 0.267 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@@H]2CC=CCC2)c(-c2nn[n-]n2)c1=O ZINC001592546997 1167553161 /nfs/dbraw/zinc/55/31/61/1167553161.db2.gz ZVPAXPZQQQPHLD-MRVPVSSYSA-N -1 1 303.326 0.434 20 0 DCADMM Cn1c(=O)[nH]c(NCC[C@@H]2C[C@H]2C2CC2)c(-c2nn[n-]n2)c1=O ZINC001592546869 1167553972 /nfs/dbraw/zinc/55/39/72/1167553972.db2.gz TWUQCOISKQSSPI-BDAKNGLRSA-N -1 1 317.353 0.514 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC[C@@H]2CCOC2)n1 ZINC001592559669 1167559893 /nfs/dbraw/zinc/55/98/93/1167559893.db2.gz FGNGOJRNTXFGMD-MRVPVSSYSA-N -1 1 306.330 0.148 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC[C@@H]2CCOC2)n1 ZINC001592559669 1167559898 /nfs/dbraw/zinc/55/98/98/1167559898.db2.gz FGNGOJRNTXFGMD-MRVPVSSYSA-N -1 1 306.330 0.148 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CC3(CC3(F)F)C2)n1 ZINC001592560021 1167561582 /nfs/dbraw/zinc/56/15/82/1167561582.db2.gz SUXFESJZRCTNSI-UHFFFAOYSA-N -1 1 324.295 0.910 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CC3(CC3(F)F)C2)n1 ZINC001592560021 1167561586 /nfs/dbraw/zinc/56/15/86/1167561586.db2.gz SUXFESJZRCTNSI-UHFFFAOYSA-N -1 1 324.295 0.910 20 0 DCADMM Cn1ccc(C(=O)Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)c1 ZINC001592578191 1167567442 /nfs/dbraw/zinc/56/74/42/1167567442.db2.gz FKXNNTVYVPOVSH-UHFFFAOYSA-N -1 1 324.344 0.739 20 0 DCADMM Cn1nccc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC001592607004 1167580822 /nfs/dbraw/zinc/58/08/22/1167580822.db2.gz RLAVWBXWROECOF-UHFFFAOYSA-N -1 1 324.297 0.507 20 0 DCADMM Cn1nccc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC001592607004 1167580826 /nfs/dbraw/zinc/58/08/26/1167580826.db2.gz RLAVWBXWROECOF-UHFFFAOYSA-N -1 1 324.297 0.507 20 0 DCADMM Cn1nncc1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001592611112 1167584785 /nfs/dbraw/zinc/58/47/85/1167584785.db2.gz BSBZGWPYFYKCLH-UHFFFAOYSA-N -1 1 305.689 0.296 20 0 DCADMM FC(F)(F)c1cc(-c2nnn[n-]2)nc(N2CCOCCN2)c1 ZINC001592617848 1167586141 /nfs/dbraw/zinc/58/61/41/1167586141.db2.gz DABMQODVAIRDRM-UHFFFAOYSA-N -1 1 315.259 0.622 20 0 DCADMM FC(F)(F)c1cc(-c2nn[n-]n2)nc(N2CCOCCN2)c1 ZINC001592617848 1167586144 /nfs/dbraw/zinc/58/61/44/1167586144.db2.gz DABMQODVAIRDRM-UHFFFAOYSA-N -1 1 315.259 0.622 20 0 DCADMM FC(F)CN1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592623647 1167587224 /nfs/dbraw/zinc/58/72/24/1167587224.db2.gz HWWXPCZCNYEHKG-UHFFFAOYSA-N -1 1 310.312 0.798 20 0 DCADMM FC(F)CN1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592623647 1167587229 /nfs/dbraw/zinc/58/72/29/1167587229.db2.gz HWWXPCZCNYEHKG-UHFFFAOYSA-N -1 1 310.312 0.798 20 0 DCADMM FCCn1cc(CNCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001592629376 1167587598 /nfs/dbraw/zinc/58/75/98/1167587598.db2.gz FYAZAMSWIHCYMD-UHFFFAOYSA-N -1 1 308.346 0.779 20 0 DCADMM FCCn1cc(CNCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001592629376 1167587604 /nfs/dbraw/zinc/58/76/04/1167587604.db2.gz FYAZAMSWIHCYMD-UHFFFAOYSA-N -1 1 308.346 0.779 20 0 DCADMM NC(=O)[C@@H]1CC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592720470 1167612055 /nfs/dbraw/zinc/61/20/55/1167612055.db2.gz HLLKODWAPWZKEB-HTQZYQBOSA-N -1 1 306.351 0.056 20 0 DCADMM NC(=O)C1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001592720783 1167613997 /nfs/dbraw/zinc/61/39/97/1167613997.db2.gz RDCBEDPTBRNFKE-UHFFFAOYSA-N -1 1 314.353 0.236 20 0 DCADMM NC(=O)C1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001592720783 1167614001 /nfs/dbraw/zinc/61/40/01/1167614001.db2.gz RDCBEDPTBRNFKE-UHFFFAOYSA-N -1 1 314.353 0.236 20 0 DCADMM NC(=O)Cc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592729553 1167618000 /nfs/dbraw/zinc/61/80/00/1167618000.db2.gz CARLQOCDPVYMDF-UHFFFAOYSA-N -1 1 310.321 0.297 20 0 DCADMM NC(=O)Cc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592729553 1167618006 /nfs/dbraw/zinc/61/80/06/1167618006.db2.gz CARLQOCDPVYMDF-UHFFFAOYSA-N -1 1 310.321 0.297 20 0 DCADMM NC(=O)[C@@H]1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001592732349 1167619906 /nfs/dbraw/zinc/61/99/06/1167619906.db2.gz ICJHIWSDNCRJAU-RQJHMYQMSA-N -1 1 307.745 0.981 20 0 DCADMM NC(=O)[C@@H]1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001592732349 1167619910 /nfs/dbraw/zinc/61/99/10/1167619910.db2.gz ICJHIWSDNCRJAU-RQJHMYQMSA-N -1 1 307.745 0.981 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCC(=O)c2cccn21 ZINC001592753720 1167631178 /nfs/dbraw/zinc/63/11/78/1167631178.db2.gz GNNFZBJOODMSOL-SECBINFHSA-N -1 1 312.293 0.305 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H](O)c1ccccc1Cl ZINC001592753024 1167631594 /nfs/dbraw/zinc/63/15/94/1167631594.db2.gz GLPBTZOLPLBKFA-SECBINFHSA-N -1 1 319.712 0.673 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1COc2ccccc2C1 ZINC001592754686 1167633931 /nfs/dbraw/zinc/63/39/31/1167633931.db2.gz RIWRRDADLCCXAC-SECBINFHSA-N -1 1 311.305 0.537 20 0 DCADMM Nc1ccc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)cn1 ZINC001592759579 1167634969 /nfs/dbraw/zinc/63/49/69/1167634969.db2.gz QTQMJPUSNROPHT-UHFFFAOYSA-N -1 1 323.360 0.933 20 0 DCADMM O=C(CC1CCCC1)NCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592821240 1167644489 /nfs/dbraw/zinc/64/44/89/1167644489.db2.gz RZYJONGNZWIIBW-UHFFFAOYSA-N -1 1 316.369 0.187 20 0 DCADMM O=C(C[C@@H]1CCCOC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592824089 1167646883 /nfs/dbraw/zinc/64/68/83/1167646883.db2.gz ZQCSLEXIWXZFON-NSHDSACASA-N -1 1 302.338 0.695 20 0 DCADMM O=C(C[C@@H]1CCCOC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592824089 1167646887 /nfs/dbraw/zinc/64/68/87/1167646887.db2.gz ZQCSLEXIWXZFON-NSHDSACASA-N -1 1 302.338 0.695 20 0 DCADMM O=C(CCn1ccccc1=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592860976 1167650880 /nfs/dbraw/zinc/65/08/80/1167650880.db2.gz WRDPNPBXRBGAFS-UHFFFAOYSA-N -1 1 311.305 0.452 20 0 DCADMM O=C(CCn1ccccc1=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592860976 1167650887 /nfs/dbraw/zinc/65/08/87/1167650887.db2.gz WRDPNPBXRBGAFS-UHFFFAOYSA-N -1 1 311.305 0.452 20 0 DCADMM O=C(CSc1cccnc1-c1nnn[n-]1)Nc1ncc[nH]1 ZINC001592905630 1167661204 /nfs/dbraw/zinc/66/12/04/1167661204.db2.gz UPRXEMPEUQEEGY-UHFFFAOYSA-N -1 1 302.323 0.716 20 0 DCADMM O=C(CSc1cccnc1-c1nn[n-]n1)Nc1ncc[nH]1 ZINC001592905630 1167661212 /nfs/dbraw/zinc/66/12/12/1167661212.db2.gz UPRXEMPEUQEEGY-UHFFFAOYSA-N -1 1 302.323 0.716 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCOCC1CCC1 ZINC001592914392 1167663349 /nfs/dbraw/zinc/66/33/49/1167663349.db2.gz ZNMHKIUSHDFPJE-UHFFFAOYSA-N -1 1 316.365 0.737 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCOCC1CCC1 ZINC001592914392 1167663352 /nfs/dbraw/zinc/66/33/52/1167663352.db2.gz ZNMHKIUSHDFPJE-UHFFFAOYSA-N -1 1 316.365 0.737 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1C[C@@H]1c1cccnc1 ZINC001592914834 1167665273 /nfs/dbraw/zinc/66/52/73/1167665273.db2.gz ACETUBZPADEHBR-OCCSQVGLSA-N -1 1 321.344 0.872 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1C[C@@H]1c1cccnc1 ZINC001592914834 1167665275 /nfs/dbraw/zinc/66/52/75/1167665275.db2.gz ACETUBZPADEHBR-OCCSQVGLSA-N -1 1 321.344 0.872 20 0 DCADMM O=C(Cc1noc2ccccc12)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592934976 1167667039 /nfs/dbraw/zinc/66/70/39/1167667039.db2.gz RDWZKXXFKGRICA-UHFFFAOYSA-N -1 1 310.277 0.912 20 0 DCADMM O=C(Cc1noc2ccccc12)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592934976 1167667043 /nfs/dbraw/zinc/66/70/43/1167667043.db2.gz RDWZKXXFKGRICA-UHFFFAOYSA-N -1 1 310.277 0.912 20 0 DCADMM O=C(Cc1ccoc1)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001592928246 1167667182 /nfs/dbraw/zinc/66/71/82/1167667182.db2.gz YQMGNTWJXQNQCL-UHFFFAOYSA-N -1 1 314.309 0.021 20 0 DCADMM O=C(Cc1ccoc1)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001592928246 1167667186 /nfs/dbraw/zinc/66/71/86/1167667186.db2.gz YQMGNTWJXQNQCL-UHFFFAOYSA-N -1 1 314.309 0.021 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)c1ccncc1Cl ZINC001592941758 1167670335 /nfs/dbraw/zinc/67/03/35/1167670335.db2.gz USUCSRNYYKPPHM-UHFFFAOYSA-N -1 1 317.696 0.355 20 0 DCADMM O=C(N[C@H](CO)CC(F)(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001592953104 1167671081 /nfs/dbraw/zinc/67/10/81/1167671081.db2.gz ABIUQGLKHGDPAB-ZETCQYMHSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(N[C@H](CO)CC(F)(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001592953104 1167671088 /nfs/dbraw/zinc/67/10/88/1167671088.db2.gz ABIUQGLKHGDPAB-ZETCQYMHSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(N[C@H](CCO)C1CCOCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592949630 1167672390 /nfs/dbraw/zinc/67/23/90/1167672390.db2.gz GYRYDAFRFJFWBG-SNVBAGLBSA-N -1 1 321.337 0.367 20 0 DCADMM O=C(N[C@H](CCO)C1CCOCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592949630 1167672393 /nfs/dbraw/zinc/67/23/93/1167672393.db2.gz GYRYDAFRFJFWBG-SNVBAGLBSA-N -1 1 321.337 0.367 20 0 DCADMM O=C(N[C@H](CO)C[C@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001592953861 1167675162 /nfs/dbraw/zinc/67/51/62/1167675162.db2.gz QOKUOVNTRNBULC-VHSXEESVSA-N -1 1 323.378 0.588 20 0 DCADMM O=C(NC1CC(CCO)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592966267 1167677040 /nfs/dbraw/zinc/67/70/40/1167677040.db2.gz UXFPSOZJOVGKCU-UHFFFAOYSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NC1CC(CCO)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592966267 1167677042 /nfs/dbraw/zinc/67/70/42/1167677042.db2.gz UXFPSOZJOVGKCU-UHFFFAOYSA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NCCCNc1ccc(-c2nnn[n-]2)nn1)c1cc[nH]c1 ZINC001593075269 1167698574 /nfs/dbraw/zinc/69/85/74/1167698574.db2.gz CTMDQUJUCBVJJY-UHFFFAOYSA-N -1 1 313.325 0.217 20 0 DCADMM O=C(NCCCNc1ccc(-c2nn[n-]n2)nn1)c1cc[nH]c1 ZINC001593075269 1167698579 /nfs/dbraw/zinc/69/85/79/1167698579.db2.gz CTMDQUJUCBVJJY-UHFFFAOYSA-N -1 1 313.325 0.217 20 0 DCADMM O=C(NCCOC1CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593096605 1167705073 /nfs/dbraw/zinc/70/50/73/1167705073.db2.gz NBYGVQIKGGJYFP-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM O=C(NCCOC1CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593096605 1167705083 /nfs/dbraw/zinc/70/50/83/1167705083.db2.gz NBYGVQIKGGJYFP-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM O=C(NCCOc1cccnc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593099825 1167709793 /nfs/dbraw/zinc/70/97/93/1167709793.db2.gz JQZVEPMWDRHYNH-UHFFFAOYSA-N -1 1 311.305 0.466 20 0 DCADMM O=C(NCCOc1cccnc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593099825 1167709800 /nfs/dbraw/zinc/70/98/00/1167709800.db2.gz JQZVEPMWDRHYNH-UHFFFAOYSA-N -1 1 311.305 0.466 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CC[C@@H](CO)C1 ZINC001593137852 1167719416 /nfs/dbraw/zinc/71/94/16/1167719416.db2.gz XJIRHLLGRMHFTE-MRVPVSSYSA-N -1 1 308.367 0.452 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001593151852 1167725758 /nfs/dbraw/zinc/72/57/58/1167725758.db2.gz HSENKIYGRPUBLG-DKCNOQQISA-N -1 1 320.378 0.755 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001593151852 1167725767 /nfs/dbraw/zinc/72/57/67/1167725767.db2.gz HSENKIYGRPUBLG-DKCNOQQISA-N -1 1 320.378 0.755 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NCC1(O)CCCC1 ZINC001593149755 1167726531 /nfs/dbraw/zinc/72/65/31/1167726531.db2.gz FCFXSCVDTAUXLB-UHFFFAOYSA-N -1 1 323.382 0.428 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NCC1(O)CCCC1 ZINC001593149755 1167726538 /nfs/dbraw/zinc/72/65/38/1167726538.db2.gz FCFXSCVDTAUXLB-UHFFFAOYSA-N -1 1 323.382 0.428 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cccc(F)n1 ZINC001593152131 1167726618 /nfs/dbraw/zinc/72/66/18/1167726618.db2.gz YNKAZCWRVAKQTE-UHFFFAOYSA-N -1 1 305.298 0.787 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cccc(F)n1 ZINC001593152131 1167726620 /nfs/dbraw/zinc/72/66/20/1167726620.db2.gz YNKAZCWRVAKQTE-UHFFFAOYSA-N -1 1 305.298 0.787 20 0 DCADMM O=C(NCc1nc(C2CC2)no1)c1cccc(-c2nnn[n-]2)n1 ZINC001593153161 1167728719 /nfs/dbraw/zinc/72/87/19/1167728719.db2.gz WTBNGBUUGDJCTM-UHFFFAOYSA-N -1 1 312.293 0.452 20 0 DCADMM O=C(NCc1nc(C2CC2)no1)c1cccc(-c2nn[n-]n2)n1 ZINC001593153161 1167728722 /nfs/dbraw/zinc/72/87/22/1167728722.db2.gz WTBNGBUUGDJCTM-UHFFFAOYSA-N -1 1 312.293 0.452 20 0 DCADMM O=C(NOC[C@H]1CCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593168973 1167730869 /nfs/dbraw/zinc/73/08/69/1167730869.db2.gz HMXCWXYBUIUASB-QMMMGPOBSA-N -1 1 307.285 0.704 20 0 DCADMM O=C(NOC[C@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593168973 1167730874 /nfs/dbraw/zinc/73/08/74/1167730874.db2.gz HMXCWXYBUIUASB-QMMMGPOBSA-N -1 1 307.285 0.704 20 0 DCADMM O=C(N[C@H]1C[C@@H](CO)C1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593185832 1167732161 /nfs/dbraw/zinc/73/21/61/1167732161.db2.gz YRTFTQOJSDOUQJ-DTORHVGOSA-N -1 1 312.333 0.849 20 0 DCADMM O=C(Nc1ccccc1-n1cnnn1)c1ccc(-c2nn[n-]n2)o1 ZINC001593253129 1167743235 /nfs/dbraw/zinc/74/32/35/1167743235.db2.gz ZPUQZVPBZDELPJ-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1cccc2c1CNC2=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001593249257 1167744350 /nfs/dbraw/zinc/74/43/50/1167744350.db2.gz JKAYVZJGFOYWTB-UHFFFAOYSA-N -1 1 321.300 0.757 20 0 DCADMM O=C(Nc1cccc2c1CNC2=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001593249257 1167744359 /nfs/dbraw/zinc/74/43/59/1167744359.db2.gz JKAYVZJGFOYWTB-UHFFFAOYSA-N -1 1 321.300 0.757 20 0 DCADMM O=C(Nc1nnc2n1CCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593270064 1167750213 /nfs/dbraw/zinc/75/02/13/1167750213.db2.gz RSSRFTLLCVMOQL-UHFFFAOYSA-N -1 1 300.282 0.640 20 0 DCADMM O=C(Nc1nnc2n1CCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593270064 1167750220 /nfs/dbraw/zinc/75/02/20/1167750220.db2.gz RSSRFTLLCVMOQL-UHFFFAOYSA-N -1 1 300.282 0.640 20 0 DCADMM O=C(OCCN1CCNC1=O)c1ccsc1-c1nnn[n-]1 ZINC001593290110 1167760105 /nfs/dbraw/zinc/76/01/05/1167760105.db2.gz JOEITOYJMNMIFW-UHFFFAOYSA-N -1 1 308.323 0.110 20 0 DCADMM O=C(OCCN1CCNC1=O)c1ccsc1-c1nn[n-]n1 ZINC001593290110 1167760110 /nfs/dbraw/zinc/76/01/10/1167760110.db2.gz JOEITOYJMNMIFW-UHFFFAOYSA-N -1 1 308.323 0.110 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1C[C@@H](O)C2(CC2)C1 ZINC001593329751 1167776527 /nfs/dbraw/zinc/77/65/27/1167776527.db2.gz WNUJCPGVCIDHQA-SNVBAGLBSA-N -1 1 321.287 0.742 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1C[C@@H](O)C2(CC2)C1 ZINC001593329751 1167776535 /nfs/dbraw/zinc/77/65/35/1167776535.db2.gz WNUJCPGVCIDHQA-SNVBAGLBSA-N -1 1 321.287 0.742 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCc2n[nH]cc2C1 ZINC001593336874 1167777823 /nfs/dbraw/zinc/77/78/23/1167777823.db2.gz HUMRRLDCOCPQSV-UHFFFAOYSA-N -1 1 310.321 0.573 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001593337286 1167779565 /nfs/dbraw/zinc/77/95/65/1167779565.db2.gz UOAKCMYWCUJODN-YPMHNXCESA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001593337286 1167779571 /nfs/dbraw/zinc/77/95/71/1167779571.db2.gz UOAKCMYWCUJODN-YPMHNXCESA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H](O)C(F)(F)C1 ZINC001593348074 1167782651 /nfs/dbraw/zinc/78/26/51/1167782651.db2.gz OBHCGMFGGOMCAZ-VIFPVBQESA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H](O)C(F)(F)C1 ZINC001593348074 1167782658 /nfs/dbraw/zinc/78/26/58/1167782658.db2.gz OBHCGMFGGOMCAZ-VIFPVBQESA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCC2(C1)OCCO2 ZINC001593348732 1167784305 /nfs/dbraw/zinc/78/43/05/1167784305.db2.gz NTHTUGHMOUIDHU-UHFFFAOYSA-N -1 1 316.321 0.241 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCC2(C1)OCCO2 ZINC001593348732 1167784312 /nfs/dbraw/zinc/78/43/12/1167784312.db2.gz NTHTUGHMOUIDHU-UHFFFAOYSA-N -1 1 316.321 0.241 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCOC[C@H]1CC(F)F ZINC001593369891 1167788623 /nfs/dbraw/zinc/78/86/23/1167788623.db2.gz QEFQKZQPNWXSLJ-MRVPVSSYSA-N -1 1 313.264 0.956 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCOC[C@H]1CC(F)F ZINC001593369891 1167788632 /nfs/dbraw/zinc/78/86/32/1167788632.db2.gz QEFQKZQPNWXSLJ-MRVPVSSYSA-N -1 1 313.264 0.956 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@@H]1C1OCCO1 ZINC001593371432 1167790797 /nfs/dbraw/zinc/79/07/97/1167790797.db2.gz QSXBKRWABNZZLQ-SECBINFHSA-N -1 1 321.362 0.906 20 0 DCADMM O=C1C[C@H](Oc2ccc(Nc3ccnc(-c4nnn[n-]4)c3)cc2)N1 ZINC001593383611 1167796341 /nfs/dbraw/zinc/79/63/41/1167796341.db2.gz APZJEMXNGQWZQG-AWEZNQCLSA-N -1 1 323.316 0.652 20 0 DCADMM O=C1C[C@H](Oc2ccc(Nc3ccnc(-c4nn[n-]n4)c3)cc2)N1 ZINC001593383611 1167796350 /nfs/dbraw/zinc/79/63/50/1167796350.db2.gz APZJEMXNGQWZQG-AWEZNQCLSA-N -1 1 323.316 0.652 20 0 DCADMM O=C1N[C@@H]2CN(c3cccnc3-c3nnn[n-]3)CC[C@H]2CO1 ZINC001593411109 1167819727 /nfs/dbraw/zinc/81/97/27/1167819727.db2.gz XLMUCHQPYHBBQB-DTWKUNHWSA-N -1 1 301.310 0.196 20 0 DCADMM O=C1N[C@@H]2CN(c3cccnc3-c3nn[n-]n3)CC[C@H]2CO1 ZINC001593411109 1167819743 /nfs/dbraw/zinc/81/97/43/1167819743.db2.gz XLMUCHQPYHBBQB-DTWKUNHWSA-N -1 1 301.310 0.196 20 0 DCADMM O=S(=O)(N[C@@H]1CCCC12CC2)c1cccnc1-c1nn[n-]n1 ZINC001593433555 1167839148 /nfs/dbraw/zinc/83/91/48/1167839148.db2.gz AICJPFKCROAHDT-SNVBAGLBSA-N -1 1 320.378 0.873 20 0 DCADMM O=S(=O)(NCC[C@H]1CCCO1)c1cccnc1-c1nn[n-]n1 ZINC001593439749 1167841700 /nfs/dbraw/zinc/84/17/00/1167841700.db2.gz FDFQSGMNTFZDCU-SECBINFHSA-N -1 1 324.366 0.109 20 0 DCADMM O=S(=O)(NC/C=C/Cl)c1ccsc1-c1nn[n-]n1 ZINC001593438287 1167843427 /nfs/dbraw/zinc/84/34/27/1167843427.db2.gz IFTBOSKYKNPMGE-HNQUOIGGSA-N -1 1 305.772 0.959 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H](C2CC2)C1 ZINC001593451764 1167847193 /nfs/dbraw/zinc/84/71/93/1167847193.db2.gz IZGFUYLTJVSPBH-SECBINFHSA-N -1 1 309.351 0.880 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1cc(Cl)ccn1 ZINC001593489749 1167874037 /nfs/dbraw/zinc/87/40/37/1167874037.db2.gz YTIOKYAZJXNYHD-UHFFFAOYSA-N -1 1 305.685 0.226 20 0 DCADMM O=c1c2c(ncn1Cc1nc(-c3nnn[n-]3)cs1)CCCC2 ZINC001593493442 1167875493 /nfs/dbraw/zinc/87/54/93/1167875493.db2.gz KIBIQUOTSRIVLQ-UHFFFAOYSA-N -1 1 315.362 0.807 20 0 DCADMM O=c1c2c(ncn1Cc1nc(-c3nn[n-]n3)cs1)CCCC2 ZINC001593493442 1167875503 /nfs/dbraw/zinc/87/55/03/1167875503.db2.gz KIBIQUOTSRIVLQ-UHFFFAOYSA-N -1 1 315.362 0.807 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1nnc2n1CCCCC2 ZINC001593493406 1167876826 /nfs/dbraw/zinc/87/68/26/1167876826.db2.gz GVXRPVVRNQRMTF-UHFFFAOYSA-N -1 1 312.337 0.395 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1CCOC1CCSCC1 ZINC001593495178 1167880995 /nfs/dbraw/zinc/88/09/95/1167880995.db2.gz XYVFLPIYLKIWBW-UHFFFAOYSA-N -1 1 308.367 0.336 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cnnn1-c1ccccc1 ZINC001593495556 1167881368 /nfs/dbraw/zinc/88/13/68/1167881368.db2.gz INOWAPUIMDMOJC-UHFFFAOYSA-N -1 1 321.304 0.052 20 0 DCADMM O[C@@H](CCC1(O)CCC1)COc1ccc(F)nc1-c1nn[n-]n1 ZINC001593500825 1167883128 /nfs/dbraw/zinc/88/31/28/1167883128.db2.gz IQRSAIAEJNEBSX-VIFPVBQESA-N -1 1 323.328 0.836 20 0 DCADMM O[C@H]([C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001593498613 1167883210 /nfs/dbraw/zinc/88/32/10/1167883210.db2.gz QHUHTORJNVLEJT-HZGVNTEJSA-N -1 1 315.259 0.406 20 0 DCADMM O[C@H]([C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001593498613 1167883215 /nfs/dbraw/zinc/88/32/15/1167883215.db2.gz QHUHTORJNVLEJT-HZGVNTEJSA-N -1 1 315.259 0.406 20 0 DCADMM O[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001593506882 1167886446 /nfs/dbraw/zinc/88/64/46/1167886446.db2.gz NXCWCGRQUIKGOD-IUCAKERBSA-N -1 1 310.745 0.867 20 0 DCADMM O[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001593506882 1167886454 /nfs/dbraw/zinc/88/64/54/1167886454.db2.gz NXCWCGRQUIKGOD-IUCAKERBSA-N -1 1 310.745 0.867 20 0 DCADMM O[C@]1(C(F)(F)F)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001593509353 1167887806 /nfs/dbraw/zinc/88/78/06/1167887806.db2.gz IVSDJVOZIHWVFV-SECBINFHSA-N -1 1 301.232 0.160 20 0 DCADMM O[C@]1(C(F)(F)F)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001593509353 1167887813 /nfs/dbraw/zinc/88/78/13/1167887813.db2.gz IVSDJVOZIHWVFV-SECBINFHSA-N -1 1 301.232 0.160 20 0 DCADMM O[C@@H](COc1cccnc1-c1nnn[n-]1)c1ccc(F)cn1 ZINC001593511080 1167887941 /nfs/dbraw/zinc/88/79/41/1167887941.db2.gz FJHJPJBVGDHQJK-JTQLQIEISA-N -1 1 302.269 0.908 20 0 DCADMM O[C@@H](COc1cccnc1-c1nn[n-]n1)c1ccc(F)cn1 ZINC001593511080 1167887949 /nfs/dbraw/zinc/88/79/49/1167887949.db2.gz FJHJPJBVGDHQJK-JTQLQIEISA-N -1 1 302.269 0.908 20 0 DCADMM O[C@H](COc1cccnc1-c1nnn[n-]1)c1ccc(F)cn1 ZINC001593511082 1167889897 /nfs/dbraw/zinc/88/98/97/1167889897.db2.gz FJHJPJBVGDHQJK-SNVBAGLBSA-N -1 1 302.269 0.908 20 0 DCADMM O[C@H](COc1cccnc1-c1nn[n-]n1)c1ccc(F)cn1 ZINC001593511082 1167889904 /nfs/dbraw/zinc/88/99/04/1167889904.db2.gz FJHJPJBVGDHQJK-SNVBAGLBSA-N -1 1 302.269 0.908 20 0 DCADMM O[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1(F)F ZINC001593518514 1167892226 /nfs/dbraw/zinc/89/22/26/1167892226.db2.gz APQXNVHKPZDSIS-VIFPVBQESA-N -1 1 323.307 0.740 20 0 DCADMM O[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1(F)F ZINC001593518514 1167892233 /nfs/dbraw/zinc/89/22/33/1167892233.db2.gz APQXNVHKPZDSIS-VIFPVBQESA-N -1 1 323.307 0.740 20 0 DCADMM O[C@H]1CCc2nn(Cc3nc(-c4nnn[n-]4)cs3)cc2C1 ZINC001593519203 1167892630 /nfs/dbraw/zinc/89/26/30/1167892630.db2.gz JUZSIGBSSMXYDR-QMMMGPOBSA-N -1 1 303.351 0.418 20 0 DCADMM O[C@H]1CCc2nn(Cc3nc(-c4nn[n-]n4)cs3)cc2C1 ZINC001593519203 1167892634 /nfs/dbraw/zinc/89/26/34/1167892634.db2.gz JUZSIGBSSMXYDR-QMMMGPOBSA-N -1 1 303.351 0.418 20 0 DCADMM OC[C@@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001593523192 1167897616 /nfs/dbraw/zinc/89/76/16/1167897616.db2.gz JDLPROXBRWYDKY-SNVBAGLBSA-N -1 1 315.312 0.984 20 0 DCADMM OC[C@@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001593523192 1167897621 /nfs/dbraw/zinc/89/76/21/1167897621.db2.gz JDLPROXBRWYDKY-SNVBAGLBSA-N -1 1 315.312 0.984 20 0 DCADMM OCCOC1(CNc2ccnc(-c3nnn[n-]3)c2)CCCCC1 ZINC001593533126 1167910239 /nfs/dbraw/zinc/91/02/39/1167910239.db2.gz PXGKZEAGMZJSGP-UHFFFAOYSA-N -1 1 318.381 0.807 20 0 DCADMM OCCOC1(CNc2ccnc(-c3nn[n-]n3)c2)CCCCC1 ZINC001593533126 1167910246 /nfs/dbraw/zinc/91/02/46/1167910246.db2.gz PXGKZEAGMZJSGP-UHFFFAOYSA-N -1 1 318.381 0.807 20 0 DCADMM OC[C@@H](Cc1ccc(O)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593531832 1167911429 /nfs/dbraw/zinc/91/14/29/1167911429.db2.gz QOTTXUNRWGGEGO-LLVKDONJSA-N -1 1 312.333 0.983 20 0 DCADMM OC[C@@H](Cc1ccc(O)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593531832 1167911444 /nfs/dbraw/zinc/91/14/44/1167911444.db2.gz QOTTXUNRWGGEGO-LLVKDONJSA-N -1 1 312.333 0.983 20 0 DCADMM c1cc(N2CCO[C@H]([C@H]3CCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001593558490 1167934248 /nfs/dbraw/zinc/93/42/48/1167934248.db2.gz HAOFPBFNDZFLGH-OLZOCXBDSA-N -1 1 302.338 0.646 20 0 DCADMM c1cc(N2CCO[C@H]([C@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001593558490 1167934256 /nfs/dbraw/zinc/93/42/56/1167934256.db2.gz HAOFPBFNDZFLGH-OLZOCXBDSA-N -1 1 302.338 0.646 20 0 DCADMM c1cc(NC[C@@H]2C[C@H]2C2CCOCC2)nc(-c2nn[n-]n2)n1 ZINC001593560349 1167943548 /nfs/dbraw/zinc/94/35/48/1167943548.db2.gz BZXBYVUYCLTMLT-QWRGUYRKSA-N -1 1 301.354 0.553 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N2CCOC3(CCOCC3)C2)c1 ZINC001593583292 1167949006 /nfs/dbraw/zinc/94/90/06/1167949006.db2.gz VZYNUZCYYZCFTC-UHFFFAOYSA-N -1 1 302.338 0.648 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N2CCOC3(CCOCC3)C2)c1 ZINC001593583292 1167949014 /nfs/dbraw/zinc/94/90/14/1167949014.db2.gz VZYNUZCYYZCFTC-UHFFFAOYSA-N -1 1 302.338 0.648 20 0 DCADMM c1cn([C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)nn1 ZINC001593582416 1167950232 /nfs/dbraw/zinc/95/02/32/1167950232.db2.gz PWFZKBSFWOHXIV-JTQLQIEISA-N -1 1 312.341 0.480 20 0 DCADMM c1cn([C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)nn1 ZINC001593582416 1167950236 /nfs/dbraw/zinc/95/02/36/1167950236.db2.gz PWFZKBSFWOHXIV-JTQLQIEISA-N -1 1 312.341 0.480 20 0 DCADMM c1cnnc(N2CCC(Nc3ccnc(-c4nnn[n-]4)c3)CC2)c1 ZINC001593589638 1167952645 /nfs/dbraw/zinc/95/26/45/1167952645.db2.gz JRMKYLGOPBXWKG-UHFFFAOYSA-N -1 1 323.364 0.555 20 0 DCADMM c1cnnc(N2CCC(Nc3ccnc(-c4nn[n-]n4)c3)CC2)c1 ZINC001593589638 1167952648 /nfs/dbraw/zinc/95/26/48/1167952648.db2.gz JRMKYLGOPBXWKG-UHFFFAOYSA-N -1 1 323.364 0.555 20 0 DCADMM c1nc(NCc2ncc3c(n2)CCOC3)cc(-c2nnn[n-]2)n1 ZINC001593591931 1167953514 /nfs/dbraw/zinc/95/35/14/1167953514.db2.gz WGQCSWCJZMQNBC-UHFFFAOYSA-N -1 1 311.309 0.132 20 0 DCADMM c1nc(NCc2ncc3c(n2)CCOC3)cc(-c2nn[n-]n2)n1 ZINC001593591931 1167953517 /nfs/dbraw/zinc/95/35/17/1167953517.db2.gz WGQCSWCJZMQNBC-UHFFFAOYSA-N -1 1 311.309 0.132 20 0 DCADMM c1nc(N2CCC([C@@H]3CCOC3)CC2)cnc1-c1nnn[n-]1 ZINC001593591650 1167953602 /nfs/dbraw/zinc/95/36/02/1167953602.db2.gz SRGBOYNTRKUZAA-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1nc(N2CCC([C@@H]3CCOC3)CC2)cnc1-c1nn[n-]n1 ZINC001593591650 1167953604 /nfs/dbraw/zinc/95/36/04/1167953604.db2.gz SRGBOYNTRKUZAA-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1nc(N2CCC[C@H]([C@H]3CCOC3)C2)cnc1-c1nnn[n-]1 ZINC001593591070 1167953852 /nfs/dbraw/zinc/95/38/52/1167953852.db2.gz KGKBYAHDRWTFSZ-QWRGUYRKSA-N -1 1 301.354 0.910 20 0 DCADMM c1nc(N2CCC[C@H]([C@H]3CCOC3)C2)cnc1-c1nn[n-]n1 ZINC001593591070 1167953858 /nfs/dbraw/zinc/95/38/58/1167953858.db2.gz KGKBYAHDRWTFSZ-QWRGUYRKSA-N -1 1 301.354 0.910 20 0 DCADMM c1ncc(N2CCOC3(CCOCC3)CC2)nc1-c1nnn[n-]1 ZINC001593593097 1167957323 /nfs/dbraw/zinc/95/73/23/1167957323.db2.gz LALWLHLLHSEYCJ-UHFFFAOYSA-N -1 1 317.353 0.433 20 0 DCADMM c1ncc(N2CCOC3(CCOCC3)CC2)nc1-c1nn[n-]n1 ZINC001593593097 1167957327 /nfs/dbraw/zinc/95/73/27/1167957327.db2.gz LALWLHLLHSEYCJ-UHFFFAOYSA-N -1 1 317.353 0.433 20 0 DCADMM Cc1ccn(-c2ccccc2CNC(=O)CCc2nn[n-]n2)n1 ZINC001595862119 1167978897 /nfs/dbraw/zinc/97/88/97/1167978897.db2.gz NPVPKOGUPMIJDL-UHFFFAOYSA-N -1 1 311.349 0.943 20 0 DCADMM COC[C@H](NC(=O)c1[nH]nc2c1cccc2OC)c1nn[n-]n1 ZINC001595889701 1167981310 /nfs/dbraw/zinc/98/13/10/1167981310.db2.gz WNMVZOJMVVKBKR-QMMMGPOBSA-N -1 1 317.309 0.202 20 0 DCADMM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc2[nH]cnc2cc1F ZINC001598691670 1168025244 /nfs/dbraw/zinc/02/52/44/1168025244.db2.gz CRKXMCWHUAVYSO-JTQLQIEISA-N -1 1 309.253 0.448 20 0 DCADMM COC(=O)[C@]1(OC)CCN(Cc2cc(C(=O)[O-])c(C)n2C)C1 ZINC001598725607 1168031765 /nfs/dbraw/zinc/03/17/65/1168031765.db2.gz IAIMIBZSUZADGI-HNNXBMFYSA-N -1 1 310.350 0.796 20 0 DCADMM COC(=O)CC[C@@H](C(=O)[O-])N1CCN(c2ccnc(C)n2)CC1 ZINC001598848373 1168044765 /nfs/dbraw/zinc/04/47/65/1168044765.db2.gz PHAKBKGHCKMFRV-LBPRGKRZSA-N -1 1 322.365 0.313 20 0 DCADMM COC(=O)c1ccoc1S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001599005341 1168063174 /nfs/dbraw/zinc/06/31/74/1168063174.db2.gz XCZJCTLKLLDSGN-VIFPVBQESA-N -1 1 317.319 0.598 20 0 DCADMM Cc1cc(F)cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1N ZINC001600229228 1168141141 /nfs/dbraw/zinc/14/11/41/1168141141.db2.gz KMDJNYIBAINAQN-LLVKDONJSA-N -1 1 306.297 0.865 20 0 DCADMM Cc1ccc(CN2CCC(S(N)(=O)=O)CC2)cc1C(=O)[O-] ZINC001600412295 1168180063 /nfs/dbraw/zinc/18/00/63/1168180063.db2.gz FFARJQIQQQCRBY-UHFFFAOYSA-N -1 1 312.391 0.946 20 0 DCADMM Cc1cncc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC001600628113 1168219691 /nfs/dbraw/zinc/21/96/91/1168219691.db2.gz YBWVADDULYIEMI-BTFPBAQTSA-N -1 1 315.373 0.657 20 0 DCADMM Cc1cnccc1CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001600630099 1168220751 /nfs/dbraw/zinc/22/07/51/1168220751.db2.gz NCMMBQKOZZSPJV-ZDUSSCGKSA-N -1 1 305.378 0.940 20 0 DCADMM Cc1cnn(C)c1CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600635625 1168223140 /nfs/dbraw/zinc/22/31/40/1168223140.db2.gz OESQIPQTQBEBNK-LLVKDONJSA-N -1 1 304.354 0.855 20 0 DCADMM Cc1n[nH]c([C@@H]2CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2)n1 ZINC001600696807 1168254143 /nfs/dbraw/zinc/25/41/43/1168254143.db2.gz JKTRSWHVFWEQRD-VXGBXAGGSA-N -1 1 323.397 0.518 20 0 DCADMM Cc1nnc([C@@H]2CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2)[nH]1 ZINC001600696807 1168254152 /nfs/dbraw/zinc/25/41/52/1168254152.db2.gz JKTRSWHVFWEQRD-VXGBXAGGSA-N -1 1 323.397 0.518 20 0 DCADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC(C)(C(=O)[O-])C2)n[nH]1 ZINC001600768507 1168282965 /nfs/dbraw/zinc/28/29/65/1168282965.db2.gz WKHGCUJVHLTREI-UHFFFAOYSA-N -1 1 317.349 0.974 20 0 DCADMM Cc1nn(CCC(=O)[O-])c(C)c1CN[C@@H](C)C(=O)NCCF ZINC001600786165 1168296197 /nfs/dbraw/zinc/29/61/97/1168296197.db2.gz SJPAGONDNMCHCR-JTQLQIEISA-N -1 1 314.361 0.538 20 0 DCADMM Cc1oc(C(=O)[O-])cc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC001600825304 1168477802 /nfs/dbraw/zinc/47/78/02/1168477802.db2.gz QIPXDYLDZFTZRM-SECBINFHSA-N -1 1 307.266 0.013 20 0 DCADMM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1CCn1cnnn1 ZINC001600908142 1168502524 /nfs/dbraw/zinc/50/25/24/1168502524.db2.gz GCNZKFSKEASYKT-LBPRGKRZSA-N -1 1 304.354 0.937 20 0 DCADMM CN1CC(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)=NC1=O ZINC001600928308 1168512043 /nfs/dbraw/zinc/51/20/43/1168512043.db2.gz CMZSWXKTQPDJMQ-CQSZACIVSA-N -1 1 304.306 0.641 20 0 DCADMM Cn1ccc(N2CCC[C@H](NCc3ccoc3C(=O)[O-])C2=O)n1 ZINC001600975844 1168540756 /nfs/dbraw/zinc/54/07/56/1168540756.db2.gz RPNQFDRIGZYUQF-NSHDSACASA-N -1 1 318.333 0.997 20 0 DCADMM 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COCCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001718086402 1183132451 /nfs/dbraw/zinc/13/24/51/1183132451.db2.gz GGNGZCURJYQMPY-GHMZBOCLSA-N -1 1 309.366 0.837 20 0 DCADMM C/C=C(/C)C(=O)N(C)C[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001718756529 1183344979 /nfs/dbraw/zinc/34/49/79/1183344979.db2.gz LYRVWLOIAPQHRC-FGUAACIASA-N -1 1 307.350 0.303 20 0 DCADMM C[C@H]1OCC[C@@H]1C(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001720471124 1183618424 /nfs/dbraw/zinc/61/84/24/1183618424.db2.gz PQVABWXCEOGJCL-NEPJUHHUSA-N -1 1 321.377 0.791 20 0 DCADMM C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CCOCC1CC1 ZINC001725589551 1184901078 /nfs/dbraw/zinc/90/10/78/1184901078.db2.gz XRPMMCOZFPLYAG-JQWIXIFHSA-N -1 1 323.397 0.406 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001731927411 1185582714 /nfs/dbraw/zinc/58/27/14/1185582714.db2.gz CGFMLPKOJXHXQH-UHFFFAOYSA-N -1 1 321.385 0.393 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)C1(c2cccnc2)CC1 ZINC001731946031 1185597366 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CCOc1cccc(CNCCNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001125729077 747542433 /nfs/dbraw/zinc/54/24/33/747542433.db2.gz SOWRCJRJDSNEIM-UHFFFAOYSA-N -1 1 319.365 0.737 20 0 DCADMM CCCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1Cc1n[nH]c(=O)[n-]1 ZINC001087331131 747671518 /nfs/dbraw/zinc/67/15/18/747671518.db2.gz RCOZOBSIQOFHJY-RNJOBUHISA-N -1 1 319.409 0.979 20 0 DCADMM CC(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(Cc2n[nH]c(=O)[n-]2)C1 ZINC001087338368 747703377 /nfs/dbraw/zinc/70/33/77/747703377.db2.gz HNOANTXOQOPOSW-CYDGBPFRSA-N -1 1 319.409 0.835 20 0 DCADMM Cc1cnc([C@@H](C)[NH2+]CCNC(=O)c2ncccc2[O-])cn1 ZINC001126124848 748229239 /nfs/dbraw/zinc/22/92/39/748229239.db2.gz HVIAPOISRXJLJJ-LLVKDONJSA-N -1 1 301.350 0.966 20 0 DCADMM CCCc1cc(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)n[nH]1 ZINC001043501924 752260151 /nfs/dbraw/zinc/26/01/51/752260151.db2.gz BCXFHEXZINPVRJ-UHFFFAOYSA-N -1 1 319.369 0.142 20 0 DCADMM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000692894024 748398350 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C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H](C)c1ccccc1 ZINC001392609539 992155953 /nfs/dbraw/zinc/15/59/53/992155953.db2.gz YQOBQTCSGSWJTN-QWRGUYRKSA-N -1 1 303.366 0.908 20 0 DCADMM CC(C)CCn1cc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)nn1 ZINC001591274682 992196906 /nfs/dbraw/zinc/19/69/06/992196906.db2.gz ZZUNXZFQJPLOKB-LBPRGKRZSA-N -1 1 323.397 0.413 20 0 DCADMM CN(CCN1CC2(C1)CCOCC2)c1ncc(C(=O)[O-])cn1 ZINC001598487350 992223319 /nfs/dbraw/zinc/22/33/19/992223319.db2.gz LUGNFMOSODGROX-UHFFFAOYSA-N -1 1 306.366 0.723 20 0 DCADMM Cn1ccc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)c1 ZINC001392773479 992377762 /nfs/dbraw/zinc/37/77/62/992377762.db2.gz IERFNSCVQSKOSE-NSHDSACASA-N -1 1 304.354 0.147 20 0 DCADMM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)[C@@H]1COC[C@H]1O ZINC001598498969 992403897 /nfs/dbraw/zinc/40/38/97/992403897.db2.gz YOOGHLZKYMAPDQ-DGPIVGRDSA-N -1 1 307.346 0.855 20 0 DCADMM CN(CC[N@@H+](C)CCc1ccns1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598502796 992456759 /nfs/dbraw/zinc/45/67/59/992456759.db2.gz KZQUDJYRZDDBJB-RYUDHWBXSA-N -1 1 311.407 0.797 20 0 DCADMM CN(CCc1ccns1)CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001598502796 992456771 /nfs/dbraw/zinc/45/67/71/992456771.db2.gz KZQUDJYRZDDBJB-RYUDHWBXSA-N -1 1 311.407 0.797 20 0 DCADMM CN(Cc1cnc[nH]1)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598505750 992500156 /nfs/dbraw/zinc/50/01/56/992500156.db2.gz SRQFGOQABFJSPR-QWRGUYRKSA-N -1 1 301.368 0.815 20 0 DCADMM CC(C)Cn1[nH]c(CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1=O ZINC001591497816 992635320 /nfs/dbraw/zinc/63/53/20/992635320.db2.gz JTOFETGFDUDQLM-ZDUSSCGKSA-N -1 1 311.382 0.990 20 0 DCADMM O=C(Cc1ncc[nH]1)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001393439852 992988607 /nfs/dbraw/zinc/98/86/07/992988607.db2.gz ILXBYOONOSFCEN-SNVBAGLBSA-N -1 1 315.333 0.084 20 0 DCADMM CN1C[C@@H](O)C[C@@]1(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001598568030 993165461 /nfs/dbraw/zinc/16/54/61/993165461.db2.gz ARTJEKNSWGVXFZ-XEZPLFJOSA-N -1 1 306.362 0.254 20 0 DCADMM CC(C)n1nccc1C(=O)N[C@H](C)[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001393945475 993365520 /nfs/dbraw/zinc/36/55/20/993365520.db2.gz HMMDIWTXCCSAGO-NXEZZACHSA-N -1 1 321.385 0.584 20 0 DCADMM CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001598595830 993503537 /nfs/dbraw/zinc/50/35/37/993503537.db2.gz ZIHVSQKNQPZWCI-LLVKDONJSA-N -1 1 315.395 0.438 20 0 DCADMM CN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC001598597121 993521856 /nfs/dbraw/zinc/52/18/56/993521856.db2.gz ZWZROZZESYTWFB-SECBINFHSA-N -1 1 323.324 0.673 20 0 DCADMM CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001598602682 993584208 /nfs/dbraw/zinc/58/42/08/993584208.db2.gz KVGGVWMGMRWGPB-SECBINFHSA-N -1 1 323.324 0.673 20 0 DCADMM COc1ccc(NC(=O)CN[C@H]2CCO[C@H]2C(=O)[O-])cc1OC ZINC001599592597 993704897 /nfs/dbraw/zinc/70/48/97/993704897.db2.gz NGJDKJTVLLSOMY-IINYFYTJSA-N -1 1 324.333 0.474 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NCc1ncccn1 ZINC001394461935 993731401 /nfs/dbraw/zinc/73/14/01/993731401.db2.gz AIZATOXVIRMQSM-NSHDSACASA-N -1 1 301.350 0.828 20 0 DCADMM CN1CCN(C(=O)c2nc3cccnc3s2)C[C@@H](C(=O)[O-])C1 ZINC001598612465 993805938 /nfs/dbraw/zinc/80/59/38/993805938.db2.gz SSOLJCWWDXNIQS-VIFPVBQESA-N -1 1 320.374 0.780 20 0 DCADMM COc1ccc(OC)c(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c1 ZINC001599600523 993808883 /nfs/dbraw/zinc/80/88/83/993808883.db2.gz ORWRARVZLGJVEX-NSHDSACASA-N -1 1 322.361 0.792 20 0 DCADMM CC1(C)CC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001399842626 993833653 /nfs/dbraw/zinc/83/36/53/993833653.db2.gz WJOWYRHVBHAFET-MNOVXSKESA-N -1 1 321.377 0.430 20 0 DCADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NC1(C(=O)[O-])CC1 ZINC001593140698 993924108 /nfs/dbraw/zinc/92/41/08/993924108.db2.gz NCYOJTFSOBVPMI-QMMMGPOBSA-N -1 1 316.317 0.415 20 0 DCADMM CN1CCN(CCNC(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC001598618796 993953534 /nfs/dbraw/zinc/95/35/34/993953534.db2.gz VUZDFFMAHWELDX-UHFFFAOYSA-N -1 1 319.405 0.681 20 0 DCADMM CN1CCN(CCNC(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001598618837 993954955 /nfs/dbraw/zinc/95/49/55/993954955.db2.gz XFJLNRJFFWNPLV-UHFFFAOYSA-N -1 1 305.378 0.291 20 0 DCADMM CN1CCN(c2cc(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])ccn2)CC1 ZINC001598622336 994022479 /nfs/dbraw/zinc/02/24/79/994022479.db2.gz CYUOZWRRNQISBF-CHWSQXEVSA-N -1 1 318.377 0.284 20 0 DCADMM C[C@@H](CNC(=O)c1ccncn1)NC(=O)c1ncccc1[O-] ZINC001400170789 994231466 /nfs/dbraw/zinc/23/14/66/994231466.db2.gz RDCLKIINMMMVGG-VIFPVBQESA-N -1 1 301.306 0.126 20 0 DCADMM CCOCC(=O)N(C)C[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001394877890 994235005 /nfs/dbraw/zinc/23/50/05/994235005.db2.gz WGOSKRLSKHTVSV-GFCCVEGCSA-N -1 1 321.377 0.887 20 0 DCADMM CNC(=O)C1(NCc2ccc(C(=O)[O-])c(F)c2)CCOCC1 ZINC001598635939 994249016 /nfs/dbraw/zinc/24/90/16/994249016.db2.gz RERLQWHZFFPINZ-UHFFFAOYSA-N -1 1 310.325 0.909 20 0 DCADMM COCC1(C(=O)N2CC[C@@H](CN(C)Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001400231712 994314198 /nfs/dbraw/zinc/31/41/98/994314198.db2.gz AUIVZJTWIWKQLK-NSHDSACASA-N -1 1 323.397 0.217 20 0 DCADMM CCO[C@H](CC)C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001400384016 994461722 /nfs/dbraw/zinc/46/17/22/994461722.db2.gz QJUFDMYDYHWLBE-WCQYABFASA-N -1 1 321.377 0.933 20 0 DCADMM COc1cccc([C@@H](C(=O)[O-])N2CCN(C[C@H](C)O)CC2)c1 ZINC001599649969 994483422 /nfs/dbraw/zinc/48/34/22/994483422.db2.gz JLVICISOPNCAOY-WFASDCNBSA-N -1 1 308.378 0.819 20 0 DCADMM CC(C)(C)CCCN1CC(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001400433624 994512286 /nfs/dbraw/zinc/51/22/86/994512286.db2.gz VDNGVSHCYLQQCX-UHFFFAOYSA-N -1 1 311.386 0.316 20 0 DCADMM C[C@H](NCC[C@H]1CNCCS1(=O)=O)c1cc(C(=O)[O-])co1 ZINC001593264990 994568557 /nfs/dbraw/zinc/56/85/57/994568557.db2.gz NOCNBLANALAPDJ-ONGXEEELSA-N -1 1 316.379 0.405 20 0 DCADMM COCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C ZINC001395319959 994588765 /nfs/dbraw/zinc/58/87/65/994588765.db2.gz SQUYBFNCPHFSPI-LLVKDONJSA-N -1 1 307.350 0.400 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1cn[nH]c1 ZINC001395558550 994750476 /nfs/dbraw/zinc/75/04/76/994750476.db2.gz CBBOUUNQDJFJBA-VIFPVBQESA-N -1 1 303.322 0.401 20 0 DCADMM CNS(=O)(=O)C[C@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC001598671199 994759966 /nfs/dbraw/zinc/75/99/66/994759966.db2.gz NPGACTAMJLYFTA-JTQLQIEISA-N -1 1 316.379 0.739 20 0 DCADMM COc1cccc(C[C@H](NCC(=O)N2CCOCC2)C(=O)[O-])c1 ZINC001599669336 994783401 /nfs/dbraw/zinc/78/34/01/994783401.db2.gz FSDQDUITVLZJGV-AWEZNQCLSA-N -1 1 322.361 0.139 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)N2CC[C@H](c3nnc[nH]3)C2)c1 ZINC001464230663 1015892245 /nfs/dbraw/zinc/89/22/45/1015892245.db2.gz OKQJWFDFUXHKCE-VIFPVBQESA-N -1 1 324.362 0.697 20 0 DCADMM CC[C@H](CNC(=O)c1cc(Cl)c[nH]1)NCc1n[nH]c(=O)[n-]1 ZINC001400776541 994911881 /nfs/dbraw/zinc/91/18/81/994911881.db2.gz PLKAJHCGUVHRJX-MRVPVSSYSA-N -1 1 312.761 0.790 20 0 DCADMM C[C@](O)(CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1)C(=O)[O-] ZINC001593395951 995134107 /nfs/dbraw/zinc/13/41/07/995134107.db2.gz CDXLVTNJFFAKCH-PBHICJAKSA-N -1 1 318.373 0.528 20 0 DCADMM CN(CCNC(=O)CCCc1nn[n-]n1)C(=O)OC(C)(C)C ZINC001464690537 1015937233 /nfs/dbraw/zinc/93/72/33/1015937233.db2.gz RNMKOLQGFLIUBE-UHFFFAOYSA-N -1 1 312.374 0.506 20 0 DCADMM COCC(=O)N[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001396396108 995364530 /nfs/dbraw/zinc/36/45/30/995364530.db2.gz IIBTWGXNSHYMNB-VXGBXAGGSA-N -1 1 319.361 0.591 20 0 DCADMM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N(C)Cc1nnc[nH]1 ZINC001598715081 995396487 /nfs/dbraw/zinc/39/64/87/995396487.db2.gz ZYLRBWFISPOAFN-GFCCVEGCSA-N -1 1 304.306 0.849 20 0 DCADMM CCO[C@H](C(=O)N(C)C[C@@H](C)NCc1n[nH]c(=O)[n-]1)C(C)C ZINC001507071671 1015952090 /nfs/dbraw/zinc/95/20/90/1015952090.db2.gz NMDIWCZNTGHFLZ-PWSUYJOCSA-N -1 1 313.402 0.508 20 0 DCADMM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCc1nn[n-]n1 ZINC001464848305 1015956261 /nfs/dbraw/zinc/95/62/61/1015956261.db2.gz MBRKDXJFSJNCQX-VHSXEESVSA-N -1 1 324.385 0.899 20 0 DCADMM CCn1ncc(C(=O)NCc2nn[n-]n2)c1Br ZINC001464850432 1015957529 /nfs/dbraw/zinc/95/75/29/1015957529.db2.gz QTOFHOQTTPEQPG-UHFFFAOYSA-N -1 1 300.120 0.109 20 0 DCADMM CCC[C@H](OC)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001396930116 995689864 /nfs/dbraw/zinc/68/98/64/995689864.db2.gz DJKMYLRGOADONG-YPMHNXCESA-N -1 1 321.377 0.933 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC001598775440 995925061 /nfs/dbraw/zinc/92/50/61/995925061.db2.gz ILIKTEBGKNXPFK-ZJUUUORDSA-N -1 1 324.381 0.940 20 0 DCADMM CO[C@@H](C)CCC(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001397413613 995978433 /nfs/dbraw/zinc/97/84/33/995978433.db2.gz ZABXWVBPPJZEAZ-MNOVXSKESA-N -1 1 309.366 0.837 20 0 DCADMM CCc1ncoc1C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001397578476 996079204 /nfs/dbraw/zinc/07/92/04/996079204.db2.gz YYAFZJUXNKKTRM-SECBINFHSA-N -1 1 318.333 0.886 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001598810265 996225601 /nfs/dbraw/zinc/22/56/01/996225601.db2.gz VXKNUXMFKUMPDD-UTUOFQBUSA-N -1 1 306.318 0.019 20 0 DCADMM COC(=O)[C@H]1CN(CCCS(=O)(=O)C(C)C)C[C@H]1C(=O)[O-] ZINC001598822210 996341849 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/nfs/dbraw/zinc/24/13/79/397241379.db2.gz SKZCYWHKCRNWBF-CYBMUJFWSA-N -1 1 312.391 0.780 20 0 DCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@]1(CC)CCOC1 ZINC000378732729 397268728 /nfs/dbraw/zinc/26/87/28/397268728.db2.gz FOQDHOLBASBUNM-LBPRGKRZSA-N -1 1 317.367 0.434 20 0 DCADMM O=C(NCc1nn[n-]n1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC000613538410 397276343 /nfs/dbraw/zinc/27/63/43/397276343.db2.gz MDVHDUYQQUDEHS-SECBINFHSA-N -1 1 318.312 0.398 20 0 DCADMM O=C(c1cnn2cccnc12)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000574621775 397283737 /nfs/dbraw/zinc/28/37/37/397283737.db2.gz RYUCMNPHJYAMHV-VIFPVBQESA-N -1 1 314.305 0.838 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)C(=O)OC ZINC000592990281 397309992 /nfs/dbraw/zinc/30/99/92/397309992.db2.gz OKHLRVKXHOOELD-GMXVVIOVSA-N -1 1 314.382 0.487 20 0 DCADMM O=C(c1ccnc2ccnn21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000626847328 397260078 /nfs/dbraw/zinc/26/00/78/397260078.db2.gz SAFZWCHHGJRXJU-SECBINFHSA-N -1 1 314.305 0.838 20 0 DCADMM C[C@@H](CN(C)C(=O)C(=O)Nc1c(F)cccc1F)c1nn[n-]n1 ZINC000613474676 397264043 /nfs/dbraw/zinc/26/40/43/397264043.db2.gz IQXRICRRBSNNAA-ZETCQYMHSA-N -1 1 324.291 0.679 20 0 DCADMM CCn1c2ccccc2nc1SCC(=O)NCc1nn[n-]n1 ZINC000599376690 397421655 /nfs/dbraw/zinc/42/16/55/397421655.db2.gz HSWAAUIIPYDIRE-UHFFFAOYSA-N -1 1 317.378 0.978 20 0 DCADMM CC(=O)N[C@@H](CC(=O)NCc1nn[n-]n1)c1ccc(C)cc1 ZINC000599334362 397409244 /nfs/dbraw/zinc/40/92/44/397409244.db2.gz IFEILQJWYLGBCJ-LBPRGKRZSA-N -1 1 302.338 0.392 20 0 DCADMM CCc1noc(CC)c1CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370329804 397470929 /nfs/dbraw/zinc/47/09/29/397470929.db2.gz KGWHLSNLVWXCIF-GFCCVEGCSA-N -1 1 320.353 0.455 20 0 DCADMM O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000578883626 397497700 /nfs/dbraw/zinc/49/77/00/397497700.db2.gz ZVJFVTHFZOUXEE-SNVBAGLBSA-N -1 1 320.349 0.492 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@H]2C2CC2)o1 ZINC000371217444 397558438 /nfs/dbraw/zinc/55/84/38/397558438.db2.gz XNNJRSZCWKEXLP-CABZTGNLSA-N -1 1 314.363 0.485 20 0 DCADMM O=C(C[C@@H]1CSCCS1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370976068 397529279 /nfs/dbraw/zinc/52/92/79/397529279.db2.gz KBECDKDKMUWEFA-BDAKNGLRSA-N -1 1 315.424 0.338 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCc1nnc[nH]1 ZINC000579731329 397591300 /nfs/dbraw/zinc/59/13/00/397591300.db2.gz SKRAQEOVLWMXCV-UHFFFAOYSA-N -1 1 315.337 0.071 20 0 DCADMM COc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)nn1 ZINC000606530885 397683441 /nfs/dbraw/zinc/68/34/41/397683441.db2.gz FGWSGPRRLZXVBG-LBPRGKRZSA-N -1 1 311.305 0.518 20 0 DCADMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2cncc([O-])c2)CCO1 ZINC000610453524 397823153 /nfs/dbraw/zinc/82/31/53/397823153.db2.gz MWOJAMKVMQWWPN-LBPRGKRZSA-N -1 1 308.334 0.970 20 0 DCADMM CCC[C@@H]1CN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)CCO1 ZINC000089468631 158097397 /nfs/dbraw/zinc/09/73/97/158097397.db2.gz PBYWGZBHHOIPBT-LLVKDONJSA-N -1 1 316.379 0.829 20 0 DCADMM Cn1ncc2c1[n-]cc(C(=O)NC1CCC(CO)CC1)c2=O ZINC000128437079 158280766 /nfs/dbraw/zinc/28/07/66/158280766.db2.gz YSVGGUAOZTZTPC-UHFFFAOYSA-N -1 1 304.350 0.955 20 0 DCADMM Cn1[n-]c(CN2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc1=O ZINC000329002451 159051014 /nfs/dbraw/zinc/05/10/14/159051014.db2.gz WFXCEOFIJJTARY-JOYOIKCWSA-N -1 1 310.304 0.695 20 0 DCADMM Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cncc([O-])c2)cn1 ZINC000329084873 159060074 /nfs/dbraw/zinc/06/00/74/159060074.db2.gz FYNYLRDYRFZSIW-WHEQGISXSA-N -1 1 320.374 0.467 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000329268550 159077701 /nfs/dbraw/zinc/07/77/01/159077701.db2.gz GOPPGYAJEGGTMT-CYBMUJFWSA-N -1 1 315.377 0.736 20 0 DCADMM COc1cc2c(cc1OC)CCN(Cc1nc(=O)n(C)[n-]1)CC2 ZINC000329591710 159105647 /nfs/dbraw/zinc/10/56/47/159105647.db2.gz NXUYYODMVIXXDO-UHFFFAOYSA-N -1 1 318.377 0.726 20 0 DCADMM CC[C@@H](C(=O)OC)N1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000341714753 159223472 /nfs/dbraw/zinc/22/34/72/159223472.db2.gz DTPXXLSSNZDNCY-ZDUSSCGKSA-N -1 1 307.350 0.497 20 0 DCADMM CCCN(CC(C)(C)O)C(=O)CNC(=O)c1ncccc1[O-] ZINC000352551406 159246890 /nfs/dbraw/zinc/24/68/90/159246890.db2.gz XMUQFSQZJUGPGX-UHFFFAOYSA-N -1 1 309.366 0.527 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N1CCc2ncsc2C1 ZINC000353909849 159250068 /nfs/dbraw/zinc/25/00/68/159250068.db2.gz UFBUXEPLSWKUFD-UHFFFAOYSA-N -1 1 318.358 0.558 20 0 DCADMM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1=O ZINC000559636371 288476788 /nfs/dbraw/zinc/47/67/88/288476788.db2.gz COSOAGKSHKUFDF-SECBINFHSA-N -1 1 308.315 0.468 20 0 DCADMM Cn1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1=O ZINC000407995964 160006482 /nfs/dbraw/zinc/00/64/82/160006482.db2.gz JVBLWQAMGGKPEW-JTQLQIEISA-N -1 1 304.306 0.494 20 0 DCADMM O=C(CO)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000129426502 286988113 /nfs/dbraw/zinc/98/81/13/286988113.db2.gz KJRHGGQCMUJQSJ-UHFFFAOYSA-N -1 1 314.341 0.822 20 0 DCADMM CCc1nc(S(=O)(=O)CC(=O)N(C)Cc2ccccc2)n[n-]1 ZINC000153147884 287047172 /nfs/dbraw/zinc/04/71/72/287047172.db2.gz DQEYTFLPDXANRT-UHFFFAOYSA-N -1 1 322.390 0.799 20 0 DCADMM CCN(CC(N)=O)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000355841746 287189149 /nfs/dbraw/zinc/18/91/49/287189149.db2.gz JNTMJSNPAYVTTC-UHFFFAOYSA-N -1 1 312.395 0.479 20 0 DCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CSC[C@@H]1C ZINC000352310511 415129113 /nfs/dbraw/zinc/12/91/13/415129113.db2.gz LCWSESDYJSIIEJ-CBAPKCEASA-N -1 1 319.408 0.616 20 0 DCADMM CSc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)o1 ZINC000352437698 415177945 /nfs/dbraw/zinc/17/79/45/415177945.db2.gz NPNNTJSFQJXURK-UHFFFAOYSA-N -1 1 302.337 0.775 20 0 DCADMM CSc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)o1 ZINC000352437698 415177953 /nfs/dbraw/zinc/17/79/53/415177953.db2.gz NPNNTJSFQJXURK-UHFFFAOYSA-N -1 1 302.337 0.775 20 0 DCADMM COC[C@@](C)([N-]S(=O)(=O)Cc1ccccc1)C(=O)OC ZINC000268221744 415180142 /nfs/dbraw/zinc/18/01/42/415180142.db2.gz JMPOIEBHBCHVMR-CYBMUJFWSA-N -1 1 301.364 0.684 20 0 DCADMM O=C(NC[C@@H]1Cc2ccccc2O1)c1cc(=O)n2[n-]cnc2n1 ZINC000352430669 415172729 /nfs/dbraw/zinc/17/27/29/415172729.db2.gz HHBKFKYRUSGVDD-JTQLQIEISA-N -1 1 311.301 0.151 20 0 DCADMM COc1ccc(NC(=O)CNC(=O)c2ncccc2[O-])c(C)n1 ZINC000352589747 415240083 /nfs/dbraw/zinc/24/00/83/415240083.db2.gz JKXUWFPKJMFYIN-UHFFFAOYSA-N -1 1 316.317 0.868 20 0 DCADMM COCC1(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000352678676 415273311 /nfs/dbraw/zinc/27/33/11/415273311.db2.gz FBLRLAPJCXAJEQ-UHFFFAOYSA-N -1 1 300.336 0.405 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CC2(O)CCC2)co1 ZINC000332048245 415221017 /nfs/dbraw/zinc/22/10/17/415221017.db2.gz ZBRKGFUJVVLEEO-UHFFFAOYSA-N -1 1 302.352 0.175 20 0 DCADMM CS(=O)(=O)c1nnc(NC(=O)c2cc(F)ccc2F)[n-]1 ZINC000352751117 415303526 /nfs/dbraw/zinc/30/35/26/415303526.db2.gz ZRXUFIDPRILQKQ-UHFFFAOYSA-N -1 1 302.262 0.739 20 0 DCADMM CS(=O)(=O)c1nc(NC(=O)c2cc(F)ccc2F)n[n-]1 ZINC000352751117 415303534 /nfs/dbraw/zinc/30/35/34/415303534.db2.gz ZRXUFIDPRILQKQ-UHFFFAOYSA-N -1 1 302.262 0.739 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](O)C[C@@H]1C ZINC000332239223 415307996 /nfs/dbraw/zinc/30/79/96/415307996.db2.gz PTLVEOSZDJDZDS-GZMMTYOYSA-N -1 1 304.350 0.576 20 0 DCADMM COc1ccc(C(=O)NCCCC(=O)Nc2nnn[n-]2)cc1 ZINC000342852977 415316197 /nfs/dbraw/zinc/31/61/97/415316197.db2.gz RCSMVKIZNANQKC-UHFFFAOYSA-N -1 1 304.310 0.357 20 0 DCADMM COc1ccc(C(=O)NCCCC(=O)Nc2nn[n-]n2)cc1 ZINC000342852977 415316206 /nfs/dbraw/zinc/31/62/06/415316206.db2.gz RCSMVKIZNANQKC-UHFFFAOYSA-N -1 1 304.310 0.357 20 0 DCADMM CCC[C@@H](NC(=O)CCn1c(C)cc(O)cc1=O)c1nn[n-]n1 ZINC000276137693 415436366 /nfs/dbraw/zinc/43/63/66/415436366.db2.gz CSEMPBQDARNVDZ-LLVKDONJSA-N -1 1 320.353 0.423 20 0 DCADMM CO[N-]C(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000276169297 415444113 /nfs/dbraw/zinc/44/41/13/415444113.db2.gz QYCGHHSWLPTYQJ-UHFFFAOYSA-N -1 1 309.391 0.852 20 0 DCADMM Cc1ccc(CNC(=O)[C@H](C)S(=O)(=O)c2ncn[n-]2)cc1 ZINC000086169905 415507465 /nfs/dbraw/zinc/50/74/65/415507465.db2.gz NIZVSANCADARSZ-JTQLQIEISA-N -1 1 308.363 0.592 20 0 DCADMM Cc1ccc(CNC(=O)[C@H](C)S(=O)(=O)c2nc[n-]n2)cc1 ZINC000086169905 415507475 /nfs/dbraw/zinc/50/74/75/415507475.db2.gz NIZVSANCADARSZ-JTQLQIEISA-N -1 1 308.363 0.592 20 0 DCADMM O=C(N[C@H]1CCc2c1cccc2O)c1cc(=O)n2[n-]cnc2n1 ZINC000353465053 415553750 /nfs/dbraw/zinc/55/37/50/415553750.db2.gz ZFDVZFCHIINMSK-JTQLQIEISA-N -1 1 311.301 0.541 20 0 DCADMM CSc1nc(=NC(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)s[n-]1 ZINC000333145275 415570142 /nfs/dbraw/zinc/57/01/42/415570142.db2.gz LRRLLYHIVPSNSE-RQJHMYQMSA-N -1 1 317.440 0.916 20 0 DCADMM Nc1nc(N)nc(CSc2nc(-c3ccccn3)n[nH]2)n1 ZINC000343448671 415603354 /nfs/dbraw/zinc/60/33/54/415603354.db2.gz BZPOFGZLEKFQKV-UHFFFAOYSA-N -1 1 301.339 0.169 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cnn(C(F)F)c1 ZINC000343505255 415618686 /nfs/dbraw/zinc/61/86/86/415618686.db2.gz DPFLSJHSVPEBIL-UHFFFAOYSA-N -1 1 311.248 0.747 20 0 DCADMM CCc1nc(S(=O)(=O)CCCS(=O)(=O)C(C)C)n[n-]1 ZINC000343559504 415638919 /nfs/dbraw/zinc/63/89/19/415638919.db2.gz XODIXSRZDCKBHN-UHFFFAOYSA-N -1 1 309.413 0.354 20 0 DCADMM CCCCc1cc(NC(=O)CNC(=O)c2ncccc2[O-])n[nH]1 ZINC000343367246 415578008 /nfs/dbraw/zinc/57/80/08/415578008.db2.gz DDVFAEDEULKLCR-UHFFFAOYSA-N -1 1 317.349 1.221 20 0 DCADMM COCc1nnc(S(=O)(=O)CC(=O)Nc2ccccc2C)[n-]1 ZINC000353890923 415686442 /nfs/dbraw/zinc/68/64/42/415686442.db2.gz CLLOZFBZWNKBTE-UHFFFAOYSA-N -1 1 324.362 0.672 20 0 DCADMM COCc1nc(S(=O)(=O)CC(=O)Nc2ccccc2C)n[n-]1 ZINC000353890923 415686447 /nfs/dbraw/zinc/68/64/47/415686447.db2.gz CLLOZFBZWNKBTE-UHFFFAOYSA-N -1 1 324.362 0.672 20 0 DCADMM CCCCNC(=O)[C@H](C)S(=O)(=O)c1nnc(COC)[n-]1 ZINC000353902314 415689064 /nfs/dbraw/zinc/68/90/64/415689064.db2.gz LYCIMMKYESWHNV-QMMMGPOBSA-N -1 1 304.372 0.030 20 0 DCADMM CCCCNC(=O)[C@H](C)S(=O)(=O)c1n[n-]c(COC)n1 ZINC000353902314 415689071 /nfs/dbraw/zinc/68/90/71/415689071.db2.gz LYCIMMKYESWHNV-QMMMGPOBSA-N -1 1 304.372 0.030 20 0 DCADMM COc1cc(F)cc(CNC(=O)c2cc(=O)n3[n-]cnc3n2)c1 ZINC000353942135 415697211 /nfs/dbraw/zinc/69/72/11/415697211.db2.gz QPBGQLUXURWXNT-UHFFFAOYSA-N -1 1 317.280 0.495 20 0 DCADMM C[C@@H]1CCN(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)[C@@H]1C ZINC000288823631 415693123 /nfs/dbraw/zinc/69/31/23/415693123.db2.gz OHBJJGORMQLKCD-MUQLSNKQSA-N -1 1 301.350 0.537 20 0 DCADMM CC[C@@H](C)[C@](C)(O)CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000343725100 415700064 /nfs/dbraw/zinc/70/00/64/415700064.db2.gz PHZLGPOCPNRHQD-MEBBXXQBSA-N -1 1 309.366 0.430 20 0 DCADMM CCC(CC)[C@H](CCNC(=O)c1cc(=O)n2[n-]cnc2n1)OC ZINC000353992427 415712215 /nfs/dbraw/zinc/71/22/15/415712215.db2.gz HYQNAIFITCBZBE-LBPRGKRZSA-N -1 1 321.381 0.989 20 0 DCADMM CCC[C@@H](NC(=O)CC1(CS(C)(=O)=O)CC1)c1nn[n-]n1 ZINC000343764316 415715814 /nfs/dbraw/zinc/71/58/14/415715814.db2.gz LRTGRUCZZXGTMI-SECBINFHSA-N -1 1 315.399 0.372 20 0 DCADMM COC(=O)c1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)[nH]1 ZINC000425321660 287315963 /nfs/dbraw/zinc/31/59/63/287315963.db2.gz MXZKOSRRKSEBOA-UHFFFAOYSA-N -1 1 320.305 0.910 20 0 DCADMM Cc1c(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cnn1C ZINC000425325763 287316761 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ZINC000822613610 606163152 /nfs/dbraw/zinc/16/31/52/606163152.db2.gz DWSANYRVCGWWHT-QMMMGPOBSA-N -1 1 306.330 0.291 20 0 DCADMM CO[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)(C)C ZINC000821677261 606165642 /nfs/dbraw/zinc/16/56/42/606165642.db2.gz SHHZFUQPDILHGV-SECBINFHSA-N -1 1 322.373 0.783 20 0 DCADMM CO[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)(C)C ZINC000821677261 606165643 /nfs/dbraw/zinc/16/56/43/606165643.db2.gz SHHZFUQPDILHGV-SECBINFHSA-N -1 1 322.373 0.783 20 0 DCADMM CO[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)C ZINC000821677498 606172915 /nfs/dbraw/zinc/17/29/15/606172915.db2.gz YIYGHGLBCMSCHX-VIFPVBQESA-N -1 1 308.346 0.393 20 0 DCADMM CO[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC000821677498 606172917 /nfs/dbraw/zinc/17/29/17/606172917.db2.gz YIYGHGLBCMSCHX-VIFPVBQESA-N -1 1 308.346 0.393 20 0 DCADMM CC[C@H](C)CN(CC)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820870564 606241176 /nfs/dbraw/zinc/24/11/76/606241176.db2.gz VHJCUYRFRNVPHI-VIFPVBQESA-N -1 1 321.385 0.137 20 0 DCADMM CCOC(=O)NCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821333854 606295251 /nfs/dbraw/zinc/29/52/51/606295251.db2.gz BNKSVPICOUZABQ-UHFFFAOYSA-N -1 1 306.282 0.257 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1csc2cncn21 ZINC000822902415 606435694 /nfs/dbraw/zinc/43/56/94/606435694.db2.gz BFADXGJMIZLPBP-UHFFFAOYSA-N -1 1 301.295 0.043 20 0 DCADMM Cc1nccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822471421 606517235 /nfs/dbraw/zinc/51/72/35/606517235.db2.gz BPYSJJFLIHQATL-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1nccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822471421 606517237 /nfs/dbraw/zinc/51/72/37/606517237.db2.gz BPYSJJFLIHQATL-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM C[C@H](Cn1cccn1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820306815 606524364 /nfs/dbraw/zinc/52/43/64/606524364.db2.gz FZESPOPVLPISTG-MRVPVSSYSA-N -1 1 303.351 0.943 20 0 DCADMM C[C@H](Cn1cccn1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820306815 606524365 /nfs/dbraw/zinc/52/43/65/606524365.db2.gz FZESPOPVLPISTG-MRVPVSSYSA-N -1 1 303.351 0.943 20 0 DCADMM CC(C)(C)C(=O)NCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819898462 606541598 /nfs/dbraw/zinc/54/15/98/606541598.db2.gz GWLMBQKZJZDENC-UHFFFAOYSA-N -1 1 322.394 0.820 20 0 DCADMM CC(C)(C)C(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819898462 606541600 /nfs/dbraw/zinc/54/16/00/606541600.db2.gz GWLMBQKZJZDENC-UHFFFAOYSA-N -1 1 322.394 0.820 20 0 DCADMM CCOC(=O)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821315744 606550964 /nfs/dbraw/zinc/55/09/64/606550964.db2.gz WJAFCFFVDBVKKO-QMMMGPOBSA-N -1 1 304.310 0.191 20 0 DCADMM CCOC(=O)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821315744 606550965 /nfs/dbraw/zinc/55/09/65/606550965.db2.gz WJAFCFFVDBVKKO-QMMMGPOBSA-N -1 1 304.310 0.191 20 0 DCADMM CCOC(=O)CN(CC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821330314 606560008 /nfs/dbraw/zinc/56/00/08/606560008.db2.gz GRJWZKMNOJHQTE-UHFFFAOYSA-N -1 1 309.351 0.953 20 0 DCADMM CCOC(=O)CN(CC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821330314 606560010 /nfs/dbraw/zinc/56/00/10/606560010.db2.gz GRJWZKMNOJHQTE-UHFFFAOYSA-N -1 1 309.351 0.953 20 0 DCADMM Cc1nn(CCC2OCCCO2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500898 606638133 /nfs/dbraw/zinc/63/81/33/606638133.db2.gz LIUGOOPLADVRII-UHFFFAOYSA-N -1 1 306.326 0.193 20 0 DCADMM O=C(COC[C@@H]1CCCO1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823032082 606648983 /nfs/dbraw/zinc/64/89/83/606648983.db2.gz MPYWOVAFDZYJOJ-NSHDSACASA-N -1 1 319.321 0.501 20 0 DCADMM O=C(COC[C@@H]1CCCO1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823032082 606648984 /nfs/dbraw/zinc/64/89/84/606648984.db2.gz MPYWOVAFDZYJOJ-NSHDSACASA-N -1 1 319.321 0.501 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(F)c(F)c1 ZINC000823122783 606655423 /nfs/dbraw/zinc/65/54/23/606655423.db2.gz HQKRKZJANLQINT-UHFFFAOYSA-N -1 1 305.248 0.980 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(F)c(F)c1 ZINC000823122783 606655424 /nfs/dbraw/zinc/65/54/24/606655424.db2.gz HQKRKZJANLQINT-UHFFFAOYSA-N -1 1 305.248 0.980 20 0 DCADMM CCOC(=O)/C=C/Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000821325783 606703797 /nfs/dbraw/zinc/70/37/97/606703797.db2.gz MWYYDKPZDOZAEB-AATRIKPKSA-N -1 1 304.310 0.160 20 0 DCADMM OCCCOC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000823723004 606808612 /nfs/dbraw/zinc/80/86/12/606808612.db2.gz YOZZWSPNXZRKHF-UHFFFAOYSA-N -1 1 304.354 0.630 20 0 DCADMM OCCCOC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000823723004 606808613 /nfs/dbraw/zinc/80/86/13/606808613.db2.gz YOZZWSPNXZRKHF-UHFFFAOYSA-N -1 1 304.354 0.630 20 0 DCADMM C/C=C\C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820833016 606825513 /nfs/dbraw/zinc/82/55/13/606825513.db2.gz QBIFRSIJTPVMEK-XOULXFPDSA-N -1 1 314.353 0.270 20 0 DCADMM C/C=C\C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820833016 606825514 /nfs/dbraw/zinc/82/55/14/606825514.db2.gz QBIFRSIJTPVMEK-XOULXFPDSA-N -1 1 314.353 0.270 20 0 DCADMM CC(C)(C)c1nnc(Sc2nccnc2-c2nn[n-]n2)n1N ZINC000819971020 607027234 /nfs/dbraw/zinc/02/72/34/607027234.db2.gz AUJJTBZRYOQSAL-UHFFFAOYSA-N -1 1 318.370 0.411 20 0 DCADMM COC(=O)[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821652575 607137537 /nfs/dbraw/zinc/13/75/37/607137537.db2.gz WDLGSWZGJOXFOH-CYBMUJFWSA-N -1 1 321.362 0.953 20 0 DCADMM COC(=O)[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821652575 607137538 /nfs/dbraw/zinc/13/75/38/607137538.db2.gz WDLGSWZGJOXFOH-CYBMUJFWSA-N -1 1 321.362 0.953 20 0 DCADMM Cc1nc2cc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccc2[nH]1 ZINC000822458934 607205936 /nfs/dbraw/zinc/20/59/36/607205936.db2.gz JOCZSBTYJKLIRT-UHFFFAOYSA-N -1 1 324.308 0.282 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1c1ccccc1 ZINC000823126312 607206224 /nfs/dbraw/zinc/20/62/24/607206224.db2.gz HUPUCHILLBKNGB-LBPRGKRZSA-N -1 1 324.348 0.822 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2nccnc2c1 ZINC000823136396 607209108 /nfs/dbraw/zinc/20/91/08/607209108.db2.gz YYCIDVFFOVFIBY-UHFFFAOYSA-N -1 1 322.292 0.040 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2ccccc2)CC1 ZINC000823126998 607213290 /nfs/dbraw/zinc/21/32/90/607213290.db2.gz QFZXMVOGINYUMF-UHFFFAOYSA-N -1 1 310.321 0.264 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1C1CCC1 ZINC000823122798 607213762 /nfs/dbraw/zinc/21/37/62/607213762.db2.gz IDPWZFRPKYUPIT-SNVBAGLBSA-N -1 1 302.342 0.249 20 0 DCADMM CC(C)(C)[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819907906 607213795 /nfs/dbraw/zinc/21/37/95/607213795.db2.gz SORQWMYJZZPPPS-SECBINFHSA-N -1 1 304.358 0.495 20 0 DCADMM Cc1ccc2c(c1)N(C(=O)Cn1cnc(-c3nn[n-]n3)n1)CCC2 ZINC000822280882 607215920 /nfs/dbraw/zinc/21/59/20/607215920.db2.gz ZYKWHEVBBBLKBR-UHFFFAOYSA-N -1 1 324.348 0.746 20 0 DCADMM CCC[C@@]1(C)CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821028773 607221047 /nfs/dbraw/zinc/22/10/47/607221047.db2.gz ZLTCDSYSYKYHPT-AWEZNQCLSA-N -1 1 318.385 0.887 20 0 DCADMM CSc1ccncc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821990897 607221696 /nfs/dbraw/zinc/22/16/96/607221696.db2.gz XTRBPGRZJMNVJM-UHFFFAOYSA-N -1 1 317.338 0.214 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(Cl)ccc1O ZINC000823131775 607233629 /nfs/dbraw/zinc/23/36/29/607233629.db2.gz NXRCZUDEULGUEE-UHFFFAOYSA-N -1 1 320.700 0.456 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826229628 607781737 /nfs/dbraw/zinc/78/17/37/607781737.db2.gz LFHSSXUZBQPNJZ-LURJTMIESA-N -1 1 322.350 0.208 20 0 DCADMM CCNC(=O)CN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825471001 607934079 /nfs/dbraw/zinc/93/40/79/607934079.db2.gz LHTUYMHJZPUSJV-UHFFFAOYSA-N -1 1 311.349 0.987 20 0 DCADMM CCNC(=O)CN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825471001 607934080 /nfs/dbraw/zinc/93/40/80/607934080.db2.gz LHTUYMHJZPUSJV-UHFFFAOYSA-N -1 1 311.349 0.987 20 0 DCADMM CN(Cc1ccccc1F)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825981677 608013497 /nfs/dbraw/zinc/01/34/97/608013497.db2.gz WMEBHDBGAKOPLX-UHFFFAOYSA-N -1 1 315.312 0.861 20 0 DCADMM CN(Cc1ccccc1F)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825981677 608013498 /nfs/dbraw/zinc/01/34/98/608013498.db2.gz WMEBHDBGAKOPLX-UHFFFAOYSA-N -1 1 315.312 0.861 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCC1(c2ccccc2)CC1 ZINC000826425251 608148745 /nfs/dbraw/zinc/14/87/45/608148745.db2.gz WBKCBDUEAPFOMO-UHFFFAOYSA-N -1 1 323.360 0.911 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCC1(c2ccccc2)CC1 ZINC000826425251 608148747 /nfs/dbraw/zinc/14/87/47/608148747.db2.gz WBKCBDUEAPFOMO-UHFFFAOYSA-N -1 1 323.360 0.911 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1Sc1nnnn1C1CCCC1 ZINC000826514793 608393963 /nfs/dbraw/zinc/39/39/63/608393963.db2.gz CYRLIQJRVICGEI-UHFFFAOYSA-N -1 1 316.354 0.910 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1Sc1nnnn1C1CCCC1 ZINC000826514793 608393964 /nfs/dbraw/zinc/39/39/64/608393964.db2.gz CYRLIQJRVICGEI-UHFFFAOYSA-N -1 1 316.354 0.910 20 0 DCADMM CN(Cc1nnc2ccccn21)c1ccc(-c2nnn[n-]2)nn1 ZINC000825999397 608408575 /nfs/dbraw/zinc/40/85/75/608408575.db2.gz ZOQVOMVHTNOSBR-UHFFFAOYSA-N -1 1 308.309 0.336 20 0 DCADMM CN(Cc1nnc2ccccn21)c1ccc(-c2nn[n-]n2)nn1 ZINC000825999397 608408576 /nfs/dbraw/zinc/40/85/76/608408576.db2.gz ZOQVOMVHTNOSBR-UHFFFAOYSA-N -1 1 308.309 0.336 20 0 DCADMM O=C(CCNc1ccc(-c2nnn[n-]2)nn1)NCc1ccccc1 ZINC000826407822 608408646 /nfs/dbraw/zinc/40/86/46/608408646.db2.gz CJHPJYIIKHYYNE-UHFFFAOYSA-N -1 1 324.348 0.775 20 0 DCADMM O=C(CCNc1ccc(-c2nn[n-]n2)nn1)NCc1ccccc1 ZINC000826407822 608408648 /nfs/dbraw/zinc/40/86/48/608408648.db2.gz CJHPJYIIKHYYNE-UHFFFAOYSA-N -1 1 324.348 0.775 20 0 DCADMM CC(C)(C)OC(=O)NCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000824113822 608412587 /nfs/dbraw/zinc/41/25/87/608412587.db2.gz FBTCUZXPLVPWHX-UHFFFAOYSA-N -1 1 320.357 0.983 20 0 DCADMM CC(C)(C)OC(=O)NCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000824113822 608412589 /nfs/dbraw/zinc/41/25/89/608412589.db2.gz FBTCUZXPLVPWHX-UHFFFAOYSA-N -1 1 320.357 0.983 20 0 DCADMM CC(C)(C)OC(=O)N1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824104426 608418792 /nfs/dbraw/zinc/41/87/92/608418792.db2.gz SKEHVUKSTNQLFA-UHFFFAOYSA-N -1 1 318.341 0.688 20 0 DCADMM CC(C)(C)OC(=O)N1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824104426 608418794 /nfs/dbraw/zinc/41/87/94/608418794.db2.gz SKEHVUKSTNQLFA-UHFFFAOYSA-N -1 1 318.341 0.688 20 0 DCADMM C[C@H]1CCOCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824968989 608424507 /nfs/dbraw/zinc/42/45/07/608424507.db2.gz RUCZAAPKKLAQCB-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM C[C@H]1CCOCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824968989 608424508 /nfs/dbraw/zinc/42/45/08/608424508.db2.gz RUCZAAPKKLAQCB-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM NC(=O)CCN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000826391222 608434683 /nfs/dbraw/zinc/43/46/83/608434683.db2.gz BDOQSVQNLSXBCH-UHFFFAOYSA-N -1 1 324.348 0.539 20 0 DCADMM NC(=O)CCN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000826391222 608434685 /nfs/dbraw/zinc/43/46/85/608434685.db2.gz BDOQSVQNLSXBCH-UHFFFAOYSA-N -1 1 324.348 0.539 20 0 DCADMM c1cn(C[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC000826524756 608437123 /nfs/dbraw/zinc/43/71/23/608437123.db2.gz IVXVGGGUWNOHTD-SNVBAGLBSA-N -1 1 312.341 0.165 20 0 DCADMM c1cn(C[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC000826524756 608437124 /nfs/dbraw/zinc/43/71/24/608437124.db2.gz IVXVGGGUWNOHTD-SNVBAGLBSA-N -1 1 312.341 0.165 20 0 DCADMM C[C@H](O)CN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824707369 608567088 /nfs/dbraw/zinc/56/70/88/608567088.db2.gz RCUIMBGOIOJYKS-ZETCQYMHSA-N -1 1 315.330 0.007 20 0 DCADMM C[C@H](O)CN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824707369 608567090 /nfs/dbraw/zinc/56/70/90/608567090.db2.gz RCUIMBGOIOJYKS-ZETCQYMHSA-N -1 1 315.330 0.007 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCSC[C@H]1CCO ZINC000826472264 608623260 /nfs/dbraw/zinc/62/32/60/608623260.db2.gz FCZHMALSRDIZJE-SNVBAGLBSA-N -1 1 320.378 0.202 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCSC[C@H]1CCO ZINC000826472264 608623262 /nfs/dbraw/zinc/62/32/62/608623262.db2.gz FCZHMALSRDIZJE-SNVBAGLBSA-N -1 1 320.378 0.202 20 0 DCADMM COC1(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCC1 ZINC000826143586 609262108 /nfs/dbraw/zinc/26/21/08/609262108.db2.gz HCGQFUYMECLDTR-UHFFFAOYSA-N -1 1 306.326 0.391 20 0 DCADMM COC1(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCC1 ZINC000826143586 609262109 /nfs/dbraw/zinc/26/21/09/609262109.db2.gz HCGQFUYMECLDTR-UHFFFAOYSA-N -1 1 306.326 0.391 20 0 DCADMM Cc1onc(CC(=O)N[C@H](C)[C@H]2CCCOC2)c1-c1nnn[n-]1 ZINC000826345506 609264376 /nfs/dbraw/zinc/26/43/76/609264376.db2.gz MRNJYBJSOABVIF-SCZZXKLOSA-N -1 1 320.353 0.637 20 0 DCADMM Cc1onc(CC(=O)N[C@H](C)[C@H]2CCCOC2)c1-c1nn[n-]n1 ZINC000826345506 609264377 /nfs/dbraw/zinc/26/43/77/609264377.db2.gz MRNJYBJSOABVIF-SCZZXKLOSA-N -1 1 320.353 0.637 20 0 DCADMM COCc1nc(N2CCCC[C@@H](S(C)(=O)=O)C2)cc(=O)[n-]1 ZINC000893529294 660462493 /nfs/dbraw/zinc/46/24/93/660462493.db2.gz SWKGBHHATYOGOZ-SNVBAGLBSA-N -1 1 315.395 0.732 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)/C=C/C2CC2)CCO1 ZINC000979255452 660696306 /nfs/dbraw/zinc/69/63/06/660696306.db2.gz MVTJDFJLNNQWGF-XVHVLHHCSA-N -1 1 321.381 0.182 20 0 DCADMM C[C@@]1([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCNC1=O ZINC000907806250 663716885 /nfs/dbraw/zinc/71/68/85/663716885.db2.gz JTUAZTPNYHWKEB-LLVKDONJSA-N -1 1 308.281 0.661 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)C=C3CCC3)CC2)nc1=O ZINC000980953866 661051150 /nfs/dbraw/zinc/05/11/50/661051150.db2.gz YFPVPZBFLCVLQF-UHFFFAOYSA-N -1 1 305.382 0.253 20 0 DCADMM O=C(c1ncccc1[O-])N1CCCN(Cc2nncs2)CC1 ZINC000981026915 661067424 /nfs/dbraw/zinc/06/74/24/661067424.db2.gz QMUNRXVZKXXEMB-UHFFFAOYSA-N -1 1 319.390 0.987 20 0 DCADMM O=S(=O)([N-]C[C@@H]1CCCS(=O)(=O)C1)c1ccns1 ZINC000885189851 667650789 /nfs/dbraw/zinc/65/07/89/667650789.db2.gz YHFUOEYZMUPAHA-QMMMGPOBSA-N -1 1 310.422 0.246 20 0 DCADMM CC[C@@]1(C(=O)OCCC[N-]C(=O)C(F)(F)F)CCNC1=O ZINC000870047572 667700861 /nfs/dbraw/zinc/70/08/61/667700861.db2.gz MHBTVTWHVQTRFP-LLVKDONJSA-N -1 1 310.272 0.515 20 0 DCADMM COCc1ccccc1C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000820784275 665412252 /nfs/dbraw/zinc/41/22/52/665412252.db2.gz HJEOMIAIIPPUBH-UHFFFAOYSA-N -1 1 306.409 0.895 20 0 DCADMM C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)CCO1 ZINC000998449152 665456970 /nfs/dbraw/zinc/45/69/70/665456970.db2.gz FJSNCIDCSZJGIV-QWRGUYRKSA-N -1 1 319.361 0.543 20 0 DCADMM CCc1cccnc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000969145065 657503155 /nfs/dbraw/zinc/50/31/55/657503155.db2.gz CWOQQSXQZRQWPC-LLVKDONJSA-N -1 1 316.365 0.472 20 0 DCADMM C[C@H](CCO)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866851249 657542201 /nfs/dbraw/zinc/54/22/01/657542201.db2.gz LLTBNCQPHYGIMS-ZCFIWIBFSA-N -1 1 301.290 0.488 20 0 DCADMM COCc1nc(N2CCN(C(=O)N3CCCC3)CC2)cc(=O)[n-]1 ZINC000891660483 657599918 /nfs/dbraw/zinc/59/99/18/657599918.db2.gz PVGGMWHDCUERHP-UHFFFAOYSA-N -1 1 321.381 0.666 20 0 DCADMM COc1cccc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c1 ZINC000970561043 657631059 /nfs/dbraw/zinc/63/10/59/657631059.db2.gz KCJCMFDEPAXNFE-LLVKDONJSA-N -1 1 317.349 0.523 20 0 DCADMM CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001023307142 657726240 /nfs/dbraw/zinc/72/62/40/657726240.db2.gz SLWWHLRPBYKIBI-WDEREUQCSA-N -1 1 323.397 0.129 20 0 DCADMM O=C([C@H]1CCCOC1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998727704 665512705 /nfs/dbraw/zinc/51/27/05/665512705.db2.gz QAFLOHKLDWVEJI-WDEREUQCSA-N -1 1 309.370 0.018 20 0 DCADMM Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)c3c(C)nc[nH]c3=O)C2)n1 ZINC001020495678 657802465 /nfs/dbraw/zinc/80/24/65/657802465.db2.gz YWHMIGBMWPAHQE-MGCOHNPYSA-N -1 1 318.337 0.233 20 0 DCADMM Cc1cc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)co1 ZINC001010760114 657838722 /nfs/dbraw/zinc/83/87/22/657838722.db2.gz PGEOTHGCJOZOAR-LLVKDONJSA-N -1 1 305.338 0.014 20 0 DCADMM CN1CCC[C@@H](N2CC[C@@H]2CNC(=O)c2ncccc2[O-])C1=O ZINC001038195899 657838860 /nfs/dbraw/zinc/83/88/60/657838860.db2.gz XZXYBDZZJAJXKR-VXGBXAGGSA-N -1 1 318.377 0.212 20 0 DCADMM O=C(CC1CCC1)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023488850 657921850 /nfs/dbraw/zinc/92/18/50/657921850.db2.gz ZZMFWKXYQNKHAZ-DGCLKSJQSA-N -1 1 319.361 0.279 20 0 DCADMM O=C(C[C@H]1CCOC1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998804399 665529083 /nfs/dbraw/zinc/52/90/83/665529083.db2.gz KDYNJBIIGOKQAC-GHMZBOCLSA-N -1 1 309.370 0.018 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ccnn2C)C1 ZINC000969546810 657962147 /nfs/dbraw/zinc/96/21/47/657962147.db2.gz SFZZOEHFCHITDV-LLVKDONJSA-N -1 1 315.377 0.771 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(CC(=O)NC2CC2)C1 ZINC000969546872 657962867 /nfs/dbraw/zinc/96/28/67/657962867.db2.gz UUNKLNZQOFLVKM-SNVBAGLBSA-N -1 1 318.377 0.116 20 0 DCADMM Cn1[n-]c(C[NH2+][C@H]2C[C@H](NC(=O)C3CC4(CC4)C3)C2)nc1=O ZINC001020569215 658072720 /nfs/dbraw/zinc/07/27/20/658072720.db2.gz RRAFPTNVXIIXMD-XYPYZODXSA-N -1 1 305.382 0.035 20 0 DCADMM O=C(Cc1ccccc1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737974599 658219104 /nfs/dbraw/zinc/21/91/04/658219104.db2.gz PGKCFOURTJVTJI-LLVKDONJSA-N -1 1 307.741 0.996 20 0 DCADMM Cc1ccc(CC(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)o1 ZINC000998956640 665556793 /nfs/dbraw/zinc/55/67/93/665556793.db2.gz MDYWPQAVICIUNT-LLVKDONJSA-N -1 1 319.365 0.735 20 0 DCADMM C[C@@H](C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C(C)(F)F ZINC000969988772 658323322 /nfs/dbraw/zinc/32/33/22/658323322.db2.gz DPPCDWSJVUFGKZ-JGVFFNPUSA-N -1 1 303.313 0.492 20 0 DCADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C3CCC3)C(C)(C)C2)nc1=O ZINC000972733164 658362345 /nfs/dbraw/zinc/36/23/45/658362345.db2.gz SHEWVRBOKFQRRJ-LLVKDONJSA-N -1 1 307.398 0.235 20 0 DCADMM CC1CC(C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)C1 ZINC000971319770 658495793 /nfs/dbraw/zinc/49/57/93/658495793.db2.gz UFLHNTGISMLHEM-HTAVTVPLSA-N -1 1 307.398 0.187 20 0 DCADMM Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC23CCC3)nc1=O ZINC001032655319 665592781 /nfs/dbraw/zinc/59/27/81/665592781.db2.gz OOSFPVWLGIUEFG-SDDRHHMPSA-N -1 1 317.393 0.084 20 0 DCADMM O=C(N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)C1=COCCO1 ZINC000972930600 658696458 /nfs/dbraw/zinc/69/64/58/658696458.db2.gz ZGBNGFXJFISOCQ-MGCOHNPYSA-N -1 1 319.317 0.052 20 0 DCADMM COc1cc(CN[C@H]2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)on1 ZINC001021973611 658699938 /nfs/dbraw/zinc/69/99/38/658699938.db2.gz FMMMZSBRQNQOPY-DTORHVGOSA-N -1 1 321.337 0.471 20 0 DCADMM C[C@@H](C(=O)N(C)C)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001038183644 658714501 /nfs/dbraw/zinc/71/45/01/658714501.db2.gz LGEHIBRHPBBZKM-WDEREUQCSA-N -1 1 306.366 0.068 20 0 DCADMM O=C(NCCSCCCO)c1nnc2ccccc2c1O ZINC000161491436 658809146 /nfs/dbraw/zinc/80/91/46/658809146.db2.gz UYDCVMAEYAMFLR-UHFFFAOYSA-N -1 1 307.375 0.769 20 0 DCADMM O=C(C[C@H]1CCOC1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024908118 658826526 /nfs/dbraw/zinc/82/65/26/658826526.db2.gz CEGSLRKROWCRJJ-VXGBXAGGSA-N -1 1 323.397 0.408 20 0 DCADMM CCn1ncc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c1C ZINC000970322346 658858264 /nfs/dbraw/zinc/85/82/64/658858264.db2.gz UNPAVCJCYUVBBR-SNVBAGLBSA-N -1 1 319.369 0.039 20 0 DCADMM COCc1nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(=O)[n-]1 ZINC000891479844 658886513 /nfs/dbraw/zinc/88/65/13/658886513.db2.gz FQXZLCDUFRWMJI-NSHDSACASA-N -1 1 322.365 0.156 20 0 DCADMM COCc1nc(N2CCN(c3ncc(F)cn3)CC2)cc(=O)[n-]1 ZINC000893179798 659002073 /nfs/dbraw/zinc/00/20/73/659002073.db2.gz BVTXEWVSIKMENJ-UHFFFAOYSA-N -1 1 320.328 0.584 20 0 DCADMM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)[nH]n1 ZINC000973919406 659046912 /nfs/dbraw/zinc/04/69/12/659046912.db2.gz KALUPYMLIKZFCQ-AOOOYVTPSA-N -1 1 315.333 0.510 20 0 DCADMM C[C@@H]1CCc2n[nH]c(C(=O)[N-]S(=O)(=O)CC(F)F)c2C1 ZINC000893220731 659109293 /nfs/dbraw/zinc/10/92/93/659109293.db2.gz OOGFJMTUZYECOR-ZCFIWIBFSA-N -1 1 307.322 0.859 20 0 DCADMM CC(=O)N1CCC[C@@H](N(C)Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001027255809 659115124 /nfs/dbraw/zinc/11/51/24/659115124.db2.gz OSORBIWMGNISLD-CYBMUJFWSA-N -1 1 303.366 0.465 20 0 DCADMM C[C@@H]1CO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000974056212 659176125 /nfs/dbraw/zinc/17/61/25/659176125.db2.gz GRROQTWFDBIRPC-MEWQQHAOSA-N -1 1 319.361 0.589 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H](NC(=O)C3(C)CCCC3)C2)nc1=O ZINC001008104699 659225725 /nfs/dbraw/zinc/22/57/25/659225725.db2.gz UDPKAWPFPJLVCR-LBPRGKRZSA-N -1 1 321.425 0.769 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H](NC(=O)C(C)(C)C3CC3)C2)nc1=O ZINC001008228052 659267681 /nfs/dbraw/zinc/26/76/81/659267681.db2.gz ZZYJZDIURCHAKR-LBPRGKRZSA-N -1 1 321.425 0.625 20 0 DCADMM CCc1n[nH]cc1C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000999573513 665659049 /nfs/dbraw/zinc/65/90/49/665659049.db2.gz JMZFSHVXIQWKKO-SECBINFHSA-N -1 1 319.369 0.190 20 0 DCADMM CC[C@@H](OC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC000976407648 659323366 /nfs/dbraw/zinc/32/33/66/659323366.db2.gz ZLCLVHBSLILOCT-DNIRFERGSA-N -1 1 319.361 0.399 20 0 DCADMM O=C(N[C@@H]1CCN(C(=O)c2ccnnc2)C1)c1ncccc1[O-] ZINC000936254852 659383407 /nfs/dbraw/zinc/38/34/07/659383407.db2.gz FPFIURZWUWVMCT-LLVKDONJSA-N -1 1 313.317 0.222 20 0 DCADMM C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)c2ncccc2O)C1 ZINC001027384771 659386439 /nfs/dbraw/zinc/38/64/39/659386439.db2.gz YKVGZJOKLOBHME-MNOVXSKESA-N -1 1 306.366 0.197 20 0 DCADMM CC(=O)N1CC[C@H](N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000936300862 659447143 /nfs/dbraw/zinc/44/71/43/659447143.db2.gz SERIRVKNALDWOZ-NSHDSACASA-N -1 1 304.350 0.752 20 0 DCADMM Cn1cnc2cc(NC(=O)Cc3sc(N)nc3[O-])ccc21 ZINC000075326705 659507896 /nfs/dbraw/zinc/50/78/96/659507896.db2.gz JDRZLIUNPXJTLE-SNVBAGLBSA-N -1 1 303.347 0.859 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-]CCC[C@@H]2CCOC2=O)c1Cl ZINC000872564496 667912214 /nfs/dbraw/zinc/91/22/14/667912214.db2.gz CEYLSKNDQXFMSG-MRVPVSSYSA-N -1 1 321.786 0.695 20 0 DCADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C3(C)CC3)C(C)(C)C2)nc1=O ZINC000974613062 659594608 /nfs/dbraw/zinc/59/46/08/659594608.db2.gz OGRLWGNMRFRHPR-SNVBAGLBSA-N -1 1 307.398 0.235 20 0 DCADMM CN(C[C@H]1CCN1C(=O)c1cc[nH]n1)C(=O)c1ncccc1[O-] ZINC000977605857 659782525 /nfs/dbraw/zinc/78/25/25/659782525.db2.gz CMLGBNWATQDWPA-SNVBAGLBSA-N -1 1 315.333 0.497 20 0 DCADMM CN(C[C@H]1CCN1C(=O)c1ccn[nH]1)C(=O)c1ncccc1[O-] ZINC000977605857 659782529 /nfs/dbraw/zinc/78/25/29/659782529.db2.gz CMLGBNWATQDWPA-SNVBAGLBSA-N -1 1 315.333 0.497 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)C[C@H]1C ZINC000295224190 659787754 /nfs/dbraw/zinc/78/77/54/659787754.db2.gz WABQLCOBKBSJDR-PSASIEDQSA-N -1 1 320.374 0.899 20 0 DCADMM CS[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940126227 665707180 /nfs/dbraw/zinc/70/71/80/665707180.db2.gz WODDIBAGTNJUTB-NXEZZACHSA-N -1 1 309.391 0.869 20 0 DCADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2cocn2)C1 ZINC000936887899 661387880 /nfs/dbraw/zinc/38/78/80/661387880.db2.gz DZAWBYPIMRPUTJ-JTQLQIEISA-N -1 1 316.317 0.762 20 0 DCADMM CC[C@H](OC)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982536935 661549703 /nfs/dbraw/zinc/54/97/03/661549703.db2.gz UAKAHKLVKIKTHN-AAEUAGOBSA-N -1 1 321.377 0.791 20 0 DCADMM Cc1nonc1CN1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001028499403 661569312 /nfs/dbraw/zinc/56/93/12/661569312.db2.gz HWESIKQGBPGYAM-NSHDSACASA-N -1 1 317.349 0.731 20 0 DCADMM CN(C(=O)c1ccon1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937212483 661576758 /nfs/dbraw/zinc/57/67/58/661576758.db2.gz 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/nfs/dbraw/zinc/88/67/13/691886713.db2.gz YDXKLWVZRLJWNJ-SFYZADRCSA-N -1 1 324.337 0.026 20 0 DCADMM Cn1[n-]c(CN2CC[C@H](NC(=O)[C@]3(C)CC=CCC3)C2)nc1=O ZINC001014564823 692043926 /nfs/dbraw/zinc/04/39/26/692043926.db2.gz RQHKRITYFJLNCC-BLLLJJGKSA-N -1 1 319.409 0.545 20 0 DCADMM CCc1ccc(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)o1 ZINC001014971062 692147907 /nfs/dbraw/zinc/14/79/07/692147907.db2.gz DXDBGIYQOKOUGM-SNVBAGLBSA-N -1 1 319.365 0.268 20 0 DCADMM Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3CC34CCCC4)C2)nc1=O ZINC001015942313 692516424 /nfs/dbraw/zinc/51/64/24/692516424.db2.gz MNVOKMRHSBUHBL-NWDGAFQWSA-N -1 1 319.409 0.379 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001017217867 692867308 /nfs/dbraw/zinc/86/73/08/692867308.db2.gz NOQXZASFZXOZSW-RYUDHWBXSA-N -1 1 319.409 0.981 20 0 DCADMM Cn1[n-]c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)CC2CCC2)nc1=O ZINC001017443398 692917395 /nfs/dbraw/zinc/91/73/95/692917395.db2.gz MDBWVZGDJXWQMT-BETUJISGSA-N -1 1 319.409 0.474 20 0 DCADMM Cc1[nH]nc(C(=O)N2CC[C@H](N[C@@H](C)c3cnccn3)C2)c1[O-] ZINC001018723218 693207314 /nfs/dbraw/zinc/20/73/14/693207314.db2.gz IUGHKKHLEJJKTN-ONGXEEELSA-N -1 1 316.365 0.779 20 0 DCADMM O=C(c1ccc(F)cn1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001018755118 693221866 /nfs/dbraw/zinc/22/18/66/693221866.db2.gz MXSBBDISHVJXKX-VIFPVBQESA-N -1 1 306.301 0.049 20 0 DCADMM O=C(C1C=CC=CC=C1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001018923238 693283758 /nfs/dbraw/zinc/28/37/58/693283758.db2.gz RLROISNNCQHUDU-LBPRGKRZSA-N -1 1 301.350 0.499 20 0 DCADMM O=C(Cc1ccccc1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019051540 693337141 /nfs/dbraw/zinc/33/71/41/693337141.db2.gz DFYATUUQYGNAGN-LBPRGKRZSA-N -1 1 301.350 0.444 20 0 DCADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019166895 693375917 /nfs/dbraw/zinc/37/59/17/693375917.db2.gz YNJFDGKQZBAALZ-SRVKXCTJSA-N -1 1 305.382 0.637 20 0 DCADMM CCCC(=O)N1CCCO[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001019571518 693527042 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COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCNc1ccccn1 ZINC001544537328 1159818112 /nfs/dbraw/zinc/81/81/12/1159818112.db2.gz BBXXPQXWZWEUSN-UHFFFAOYSA-N -1 1 319.321 0.523 20 0 DCADMM C[C@@H]1C[C@H](C(=O)NCCCN(Cc2n[nH]c(=O)[n-]2)C2CC2)CO1 ZINC001566590278 1160082098 /nfs/dbraw/zinc/08/20/98/1160082098.db2.gz MWFRBBPJESSRSX-MNOVXSKESA-N -1 1 323.397 0.406 20 0 DCADMM Cn1cc(-c2ccccc2CNC(=O)CCc2nn[n-]n2)cn1 ZINC001567245744 1160281729 /nfs/dbraw/zinc/28/17/29/1160281729.db2.gz KMVOEPUQRQAXFO-UHFFFAOYSA-N -1 1 311.349 0.849 20 0 DCADMM CCCc1nc(C(=O)N(CC)CCNCc2n[nH]c(=O)[n-]2)co1 ZINC001568791759 1160774458 /nfs/dbraw/zinc/77/44/58/1160774458.db2.gz SPXANPWILRNEOU-UHFFFAOYSA-N -1 1 322.369 0.703 20 0 DCADMM CCCCCC(=O)N(C)C[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001572462975 1163181940 /nfs/dbraw/zinc/18/19/40/1163181940.db2.gz CZRZNNYCUGRSST-LBPRGKRZSA-N -1 1 323.393 0.917 20 0 DCADMM C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1nc(C(=O)[O-])n[n-]1 ZINC001573561113 1163500990 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CC(C)(CCNc1nccnc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573900662 1163580194 /nfs/dbraw/zinc/58/01/94/1163580194.db2.gz FXBPOZUPHVGYOR-UHFFFAOYSA-N -1 1 311.371 0.282 20 0 DCADMM CC(C)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573946519 1163596568 /nfs/dbraw/zinc/59/65/68/1163596568.db2.gz BYEYUPMDKNVXMZ-UHFFFAOYSA-N -1 1 304.358 0.207 20 0 DCADMM CC(C)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573946519 1163596576 /nfs/dbraw/zinc/59/65/76/1163596576.db2.gz BYEYUPMDKNVXMZ-UHFFFAOYSA-N -1 1 304.358 0.207 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573964879 1163606608 /nfs/dbraw/zinc/60/66/08/1163606608.db2.gz SWLVHYWZFCYZMD-SNVBAGLBSA-N -1 1 316.369 0.398 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NCc1cnc2c(C(=O)[O-])cnn2c1 ZINC001573992066 1163619020 /nfs/dbraw/zinc/61/90/20/1163619020.db2.gz HAUBPMPPPAPYKX-VXGBXAGGSA-N -1 1 306.322 0.321 20 0 DCADMM C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)Nc1nc[nH]n1 ZINC001574107803 1163637938 /nfs/dbraw/zinc/63/79/38/1163637938.db2.gz 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ZINC001574368092 1163707262 /nfs/dbraw/zinc/70/72/62/1163707262.db2.gz KHBYWJNVADOQGV-UHFFFAOYSA-N -1 1 304.310 0.031 20 0 DCADMM CC(C)[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)C(N)=O ZINC001574398567 1163713644 /nfs/dbraw/zinc/71/36/44/1163713644.db2.gz ZLGFCDWRHVKEAC-VIFPVBQESA-N -1 1 323.382 0.237 20 0 DCADMM C[C@H](C[C@H](C)NC(=O)C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574543320 1163730591 /nfs/dbraw/zinc/73/05/91/1163730591.db2.gz QYDJVVOTEHXYLE-BDAKNGLRSA-N -1 1 316.369 0.184 20 0 DCADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C(C)(C)F ZINC001574675725 1163741080 /nfs/dbraw/zinc/74/10/80/1163741080.db2.gz XMCGESYNWRYXAF-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C(C)(C)F ZINC001574675725 1163741083 /nfs/dbraw/zinc/74/10/83/1163741083.db2.gz XMCGESYNWRYXAF-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1C ZINC001574811131 1163758045 /nfs/dbraw/zinc/75/80/45/1163758045.db2.gz JPDZTKHJSVOMHQ-KXUCPTDWSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1C ZINC001574811131 1163758052 /nfs/dbraw/zinc/75/80/52/1163758052.db2.gz JPDZTKHJSVOMHQ-KXUCPTDWSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1C ZINC001574813841 1163759747 /nfs/dbraw/zinc/75/97/47/1163759747.db2.gz QOOFTQZEYWNRKT-KXUCPTDWSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C ZINC001574813841 1163759754 /nfs/dbraw/zinc/75/97/54/1163759754.db2.gz QOOFTQZEYWNRKT-KXUCPTDWSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CNC(=O)CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574886841 1163787469 /nfs/dbraw/zinc/78/74/69/1163787469.db2.gz VNVLLVBBOVPLPX-VIFPVBQESA-N -1 1 318.385 0.431 20 0 DCADMM C[C@@H](CNC(=O)CCC1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574910404 1163797036 /nfs/dbraw/zinc/79/70/36/1163797036.db2.gz ZMJFKMHHQNZAGH-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)CCC1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574910404 1163797046 /nfs/dbraw/zinc/79/70/46/1163797046.db2.gz ZMJFKMHHQNZAGH-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC[S@@]1=O ZINC001575693919 1164107130 /nfs/dbraw/zinc/10/71/30/1164107130.db2.gz SYJGDNPKYXXQEU-NRFANRHFSA-N -1 1 307.383 0.394 20 0 DCADMM CC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC[S@@]1=O ZINC001575693919 1164107136 /nfs/dbraw/zinc/10/71/36/1164107136.db2.gz SYJGDNPKYXXQEU-NRFANRHFSA-N -1 1 307.383 0.394 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CC(C)C1 ZINC001575965403 1164196060 /nfs/dbraw/zinc/19/60/60/1164196060.db2.gz VNUMDEJDERIKQG-HWOCKDDLSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CC(C)C1 ZINC001575965403 1164196064 /nfs/dbraw/zinc/19/60/64/1164196064.db2.gz VNUMDEJDERIKQG-HWOCKDDLSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576085412 1164237253 /nfs/dbraw/zinc/23/72/53/1164237253.db2.gz NDAOLSUELIVOOU-QEYWKRMJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576085412 1164237257 /nfs/dbraw/zinc/23/72/57/1164237257.db2.gz NDAOLSUELIVOOU-QEYWKRMJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC[C@@H]1O ZINC001576282120 1164291060 /nfs/dbraw/zinc/29/10/60/1164291060.db2.gz RRLKYMPUWNUUMZ-WPRPVWTQSA-N -1 1 322.394 0.841 20 0 DCADMM CCC(=O)N(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001576406586 1164328290 /nfs/dbraw/zinc/32/82/90/1164328290.db2.gz CJOIGHMNBOAVAC-UHFFFAOYSA-N -1 1 318.385 0.740 20 0 DCADMM CCC(=O)N(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001576406586 1164328295 /nfs/dbraw/zinc/32/82/95/1164328295.db2.gz CJOIGHMNBOAVAC-UHFFFAOYSA-N -1 1 318.385 0.740 20 0 DCADMM CCC(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576415069 1164333645 /nfs/dbraw/zinc/33/36/45/1164333645.db2.gz IUURSHHFOJOFFK-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CCC(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576415069 1164333650 /nfs/dbraw/zinc/33/36/50/1164333650.db2.gz IUURSHHFOJOFFK-JTQLQIEISA-N -1 1 316.369 0.351 20 0 DCADMM CCC(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576415716 1164334354 /nfs/dbraw/zinc/33/43/54/1164334354.db2.gz AZEIFNOYSLYCCW-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576415716 1164334366 /nfs/dbraw/zinc/33/43/66/1164334366.db2.gz AZEIFNOYSLYCCW-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576420109 1164338978 /nfs/dbraw/zinc/33/89/78/1164338978.db2.gz IFCHKURATGYDAR-JTQLQIEISA-N -1 1 316.369 0.282 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001576430146 1164339511 /nfs/dbraw/zinc/33/95/11/1164339511.db2.gz UHLMGBYEUFYDIU-UWVGGRQHSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001576430146 1164339521 /nfs/dbraw/zinc/33/95/21/1164339521.db2.gz UHLMGBYEUFYDIU-UWVGGRQHSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001576438350 1164343927 /nfs/dbraw/zinc/34/39/27/1164343927.db2.gz QJZIHAPCYVMHAZ-VIFPVBQESA-N -1 1 318.385 0.431 20 0 DCADMM CCC(=O)N[C@H]1CC[C@@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576440784 1164345585 /nfs/dbraw/zinc/34/55/85/1164345585.db2.gz LRXIRFFDQUYFKB-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001576446321 1164347542 /nfs/dbraw/zinc/34/75/42/1164347542.db2.gz YPIHIOTYJBEWSQ-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001576446321 1164347548 /nfs/dbraw/zinc/34/75/48/1164347548.db2.gz YPIHIOTYJBEWSQ-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NCCN(CC)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576486967 1164363829 /nfs/dbraw/zinc/36/38/29/1164363829.db2.gz HOLJVWHPDLGDIU-UHFFFAOYSA-N -1 1 318.385 0.572 20 0 DCADMM CCC(=O)NCCN(CC)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576486967 1164363835 /nfs/dbraw/zinc/36/38/35/1164363835.db2.gz HOLJVWHPDLGDIU-UHFFFAOYSA-N -1 1 318.385 0.572 20 0 DCADMM CC[C@@H](C)C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576586384 1164406916 /nfs/dbraw/zinc/40/69/16/1164406916.db2.gz XSOAZQJBSWESTC-ZJUUUORDSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576590309 1164407164 /nfs/dbraw/zinc/40/71/64/1164407164.db2.gz WWSJGSMLPOANIZ-NXEZZACHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576590309 1164407166 /nfs/dbraw/zinc/40/71/66/1164407166.db2.gz WWSJGSMLPOANIZ-NXEZZACHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576603797 1164409231 /nfs/dbraw/zinc/40/92/31/1164409231.db2.gz AFEWFQGXJYDQOG-OPRDCNLKSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576603797 1164409240 /nfs/dbraw/zinc/40/92/40/1164409240.db2.gz AFEWFQGXJYDQOG-OPRDCNLKSA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576923560 1164533689 /nfs/dbraw/zinc/53/36/89/1164533689.db2.gz DIHPFMBZKLVQMY-DTWKUNHWSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576923560 1164533693 /nfs/dbraw/zinc/53/36/93/1164533693.db2.gz DIHPFMBZKLVQMY-DTWKUNHWSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576942522 1164547589 /nfs/dbraw/zinc/54/75/89/1164547589.db2.gz RBUSRHQLNXFMKU-IUCAKERBSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576942522 1164547595 /nfs/dbraw/zinc/54/75/95/1164547595.db2.gz RBUSRHQLNXFMKU-IUCAKERBSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576951226 1164552925 /nfs/dbraw/zinc/55/29/25/1164552925.db2.gz HCZPZEAATFPUHS-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576951226 1164552936 /nfs/dbraw/zinc/55/29/36/1164552936.db2.gz HCZPZEAATFPUHS-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576958593 1164558245 /nfs/dbraw/zinc/55/82/45/1164558245.db2.gz ZLYNXQWRUBGXRK-IUCAKERBSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576958593 1164558252 /nfs/dbraw/zinc/55/82/52/1164558252.db2.gz ZLYNXQWRUBGXRK-IUCAKERBSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576965063 1164558957 /nfs/dbraw/zinc/55/89/57/1164558957.db2.gz GTUVLWTTXBRHEO-YIZRAAEISA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576965063 1164558964 /nfs/dbraw/zinc/55/89/64/1164558964.db2.gz GTUVLWTTXBRHEO-YIZRAAEISA-N -1 1 320.332 0.464 20 0 DCADMM C[S@@](=O)(=NS(=O)(=O)[N-]Cc1c[nH]nn1)c1ccccc1 ZINC001577108561 1164605032 /nfs/dbraw/zinc/60/50/32/1164605032.db2.gz PDIIVHJXDUWHPO-IBGZPJMESA-N -1 1 315.380 0.296 20 0 DCADMM CCCC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577184067 1164624866 /nfs/dbraw/zinc/62/48/66/1164624866.db2.gz FIFDLYKZZQHFIA-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577184067 1164624873 /nfs/dbraw/zinc/62/48/73/1164624873.db2.gz FIFDLYKZZQHFIA-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001577188180 1164627367 /nfs/dbraw/zinc/62/73/67/1164627367.db2.gz QWIDUUVNZMKDMT-ZJUUUORDSA-N -1 1 316.369 0.280 20 0 DCADMM CCCC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001577185669 1164627393 /nfs/dbraw/zinc/62/73/93/1164627393.db2.gz YTJDWRRZMGVOKY-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001577185669 1164627397 /nfs/dbraw/zinc/62/73/97/1164627397.db2.gz YTJDWRRZMGVOKY-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001577198655 1164631225 /nfs/dbraw/zinc/63/12/25/1164631225.db2.gz XQEPRJMNFMGNQL-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001577198655 1164631230 /nfs/dbraw/zinc/63/12/30/1164631230.db2.gz XQEPRJMNFMGNQL-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577200408 1164631734 /nfs/dbraw/zinc/63/17/34/1164631734.db2.gz RUDHYWQUVJMCFV-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577200408 1164631736 /nfs/dbraw/zinc/63/17/36/1164631736.db2.gz RUDHYWQUVJMCFV-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM CCCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001577213772 1164636650 /nfs/dbraw/zinc/63/66/50/1164636650.db2.gz NDPKLCKDDJHGBS-UHFFFAOYSA-N -1 1 316.369 0.330 20 0 DCADMM CCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577402854 1164683840 /nfs/dbraw/zinc/68/38/40/1164683840.db2.gz DVZPELGSFIMDBP-JTQLQIEISA-N -1 1 316.369 0.282 20 0 DCADMM CCN(CCNC(=O)C1CCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001577945954 1164857067 /nfs/dbraw/zinc/85/70/67/1164857067.db2.gz HHTAONWXXGDXHB-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)C(C)(C)C ZINC001578143703 1164934691 /nfs/dbraw/zinc/93/46/91/1164934691.db2.gz GKTPMHHORPVDPC-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)C(C)(C)C ZINC001578143703 1164934698 /nfs/dbraw/zinc/93/46/98/1164934698.db2.gz GKTPMHHORPVDPC-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)[C@@H]1C[C@H]1C ZINC001578141139 1164935004 /nfs/dbraw/zinc/93/50/04/1164935004.db2.gz FWKXGJWFBGHEIX-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)[C@@H]1C[C@H]1C ZINC001578141139 1164935013 /nfs/dbraw/zinc/93/50/13/1164935013.db2.gz FWKXGJWFBGHEIX-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)CCCF ZINC001578145355 1164936738 /nfs/dbraw/zinc/93/67/38/1164936738.db2.gz HZAOTWYBKMDWRW-UHFFFAOYSA-N -1 1 322.348 0.667 20 0 DCADMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)CCCF ZINC001578145355 1164936742 /nfs/dbraw/zinc/93/67/42/1164936742.db2.gz HZAOTWYBKMDWRW-UHFFFAOYSA-N -1 1 322.348 0.667 20 0 DCADMM CCOC(=O)C1(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCC1 ZINC001578244210 1164963790 /nfs/dbraw/zinc/96/37/90/1164963790.db2.gz QGTFFXQXBUSIRC-UHFFFAOYSA-N -1 1 319.325 0.652 20 0 DCADMM CCOC(=O)C1(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCC1 ZINC001578244210 1164963796 /nfs/dbraw/zinc/96/37/96/1164963796.db2.gz QGTFFXQXBUSIRC-UHFFFAOYSA-N -1 1 319.325 0.652 20 0 DCADMM CCO[C@@]1(C)C[C@H]1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001578383506 1164994371 /nfs/dbraw/zinc/99/43/71/1164994371.db2.gz VMDLFUXBZKEKIU-OTYXRUKQSA-N -1 1 318.337 0.573 20 0 DCADMM CCc1cccc(Oc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)c1 ZINC001578533975 1165050633 /nfs/dbraw/zinc/05/06/33/1165050633.db2.gz HHBASPKVMGUFPM-UHFFFAOYSA-N -1 1 314.305 0.608 20 0 DCADMM CCc1nnc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC001578700929 1165085815 /nfs/dbraw/zinc/08/58/15/1165085815.db2.gz XSQHDHZQLCVSGV-UHFFFAOYSA-N -1 1 316.350 0.606 20 0 DCADMM CCc1nnc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC001578700929 1165085819 /nfs/dbraw/zinc/08/58/19/1165085819.db2.gz XSQHDHZQLCVSGV-UHFFFAOYSA-N -1 1 316.350 0.606 20 0 DCADMM CCn1nncc1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001578838224 1165136800 /nfs/dbraw/zinc/13/68/00/1165136800.db2.gz JSKAZSQFBRXQGH-UHFFFAOYSA-N -1 1 315.297 0.134 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccnn1C ZINC001578923167 1165159852 /nfs/dbraw/zinc/15/98/52/1165159852.db2.gz TUBLMBVKDUNCQC-UHFFFAOYSA-N -1 1 318.728 0.925 20 0 DCADMM CN(C)c1cccnc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001578999818 1165183311 /nfs/dbraw/zinc/18/33/11/1165183311.db2.gz IQZNMWXYBHFVPR-UHFFFAOYSA-N -1 1 313.321 0.851 20 0 DCADMM CN(C)c1cccnc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001578999818 1165183316 /nfs/dbraw/zinc/18/33/16/1165183316.db2.gz IQZNMWXYBHFVPR-UHFFFAOYSA-N -1 1 313.321 0.851 20 0 DCADMM CN(CCNC(=O)CC(C)(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC001579173926 1165229830 /nfs/dbraw/zinc/22/98/30/1165229830.db2.gz IEXQLMPFHRWMDV-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CN(CCNC(=O)CC(C)(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC001579173926 1165229835 /nfs/dbraw/zinc/22/98/35/1165229835.db2.gz IEXQLMPFHRWMDV-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)[C@H]1CC12CC2 ZINC001579225367 1165242942 /nfs/dbraw/zinc/24/29/42/1165242942.db2.gz RLQBCVPUPHFLLA-SECBINFHSA-N -1 1 314.353 0.327 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)[C@H]1CC12CC2 ZINC001579225367 1165242949 /nfs/dbraw/zinc/24/29/49/1165242949.db2.gz RLQBCVPUPHFLLA-SECBINFHSA-N -1 1 314.353 0.327 20 0 DCADMM CN(C[C@H]1C[C@@H](O)C1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579240123 1165248531 /nfs/dbraw/zinc/24/85/31/1165248531.db2.gz BDOVBMMMUYEIJG-DTORHVGOSA-N -1 1 322.394 0.841 20 0 DCADMM CN(Cc1nccn1C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001579266247 1165255981 /nfs/dbraw/zinc/25/59/81/1165255981.db2.gz ZIDWHGLDCMSREK-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM CN(Cc1nccn1C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001579266247 1165255990 /nfs/dbraw/zinc/25/59/90/1165255990.db2.gz ZIDWHGLDCMSREK-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001579466727 1165317914 /nfs/dbraw/zinc/31/79/14/1165317914.db2.gz KQVXPAVRCCWPMT-SCZZXKLOSA-N -1 1 319.321 0.840 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001579466727 1165317920 /nfs/dbraw/zinc/31/79/20/1165317920.db2.gz KQVXPAVRCCWPMT-SCZZXKLOSA-N -1 1 319.321 0.840 20 0 DCADMM COC(=O)c1ncoc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579491601 1165331029 /nfs/dbraw/zinc/33/10/29/1165331029.db2.gz KYEHVADCSHIMDM-UHFFFAOYSA-N -1 1 318.249 0.164 20 0 DCADMM COC(=O)c1ncoc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579491601 1165331032 /nfs/dbraw/zinc/33/10/32/1165331032.db2.gz KYEHVADCSHIMDM-UHFFFAOYSA-N -1 1 318.249 0.164 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001579618136 1165361669 /nfs/dbraw/zinc/36/16/69/1165361669.db2.gz IPVZLNOMIOZPQL-JOYOIKCWSA-N -1 1 318.337 0.043 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001579618136 1165361674 /nfs/dbraw/zinc/36/16/74/1165361674.db2.gz IPVZLNOMIOZPQL-JOYOIKCWSA-N -1 1 318.337 0.043 20 0 DCADMM CO[C@H]1COCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001579619418 1165361688 /nfs/dbraw/zinc/36/16/88/1165361688.db2.gz RVCNQVWHLQDWMK-CABZTGNLSA-N -1 1 318.337 0.043 20 0 DCADMM CO[C@H]1COCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001579619418 1165361694 /nfs/dbraw/zinc/36/16/94/1165361694.db2.gz RVCNQVWHLQDWMK-CABZTGNLSA-N -1 1 318.337 0.043 20 0 DCADMM COCC(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001579643156 1165371111 /nfs/dbraw/zinc/37/11/11/1165371111.db2.gz DNRLNGDTHVCBMZ-ZKCHVHJHSA-N -1 1 323.382 0.337 20 0 DCADMM COC[C@]1(CO)CCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001579747584 1165388222 /nfs/dbraw/zinc/38/82/22/1165388222.db2.gz PXSHJVPXGWLTPN-CYBMUJFWSA-N -1 1 323.378 0.399 20 0 DCADMM COc1ccnc(N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001580096894 1165501835 /nfs/dbraw/zinc/50/18/35/1165501835.db2.gz XGEPQQMIQCCHTP-UHFFFAOYSA-N -1 1 312.293 0.337 20 0 DCADMM COc1ccnc(N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001580096894 1165501840 /nfs/dbraw/zinc/50/18/40/1165501840.db2.gz XGEPQQMIQCCHTP-UHFFFAOYSA-N -1 1 312.293 0.337 20 0 DCADMM COc1ncc(NC(=O)N[C@]23C[C@H]2COC3)cc1-c1nn[n-]n1 ZINC001580138786 1165516899 /nfs/dbraw/zinc/51/68/99/1165516899.db2.gz LMNKCCCBTLTWIU-CPFSXVBKSA-N -1 1 317.309 0.181 20 0 DCADMM CS[C@@H](C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001580174665 1165527719 /nfs/dbraw/zinc/52/77/19/1165527719.db2.gz HIZDOFXFEVPTGF-QMMMGPOBSA-N -1 1 322.398 0.279 20 0 DCADMM CS[C@@H](C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001580174665 1165527727 /nfs/dbraw/zinc/52/77/27/1165527727.db2.gz HIZDOFXFEVPTGF-QMMMGPOBSA-N -1 1 322.398 0.279 20 0 DCADMM CSc1nccnc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001580238181 1165543541 /nfs/dbraw/zinc/54/35/41/1165543541.db2.gz LNJKMPODBBEDJK-UHFFFAOYSA-N -1 1 317.338 0.662 20 0 DCADMM Cc1c(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)nnn1C ZINC001580560026 1165639020 /nfs/dbraw/zinc/63/90/20/1165639020.db2.gz SFDGVOBHSGAOHZ-UHFFFAOYSA-N -1 1 320.263 0.834 20 0 DCADMM Cc1c(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)nnn1C ZINC001580560026 1165639025 /nfs/dbraw/zinc/63/90/25/1165639025.db2.gz SFDGVOBHSGAOHZ-UHFFFAOYSA-N -1 1 320.263 0.834 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@@H]1NCCc2occc21 ZINC001580595053 1165648316 /nfs/dbraw/zinc/64/83/16/1165648316.db2.gz XWRQTAARZJZYQI-UONOGXRCSA-N -1 1 324.344 0.885 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCOC(C)(C)C1 ZINC001580600017 1165651511 /nfs/dbraw/zinc/65/15/11/1165651511.db2.gz KOICINSRAMFDPM-UHFFFAOYSA-N -1 1 318.337 0.527 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCc2ccc(C(N)=O)cc2)c1 ZINC001580609378 1165655657 /nfs/dbraw/zinc/65/56/57/1165655657.db2.gz WDLPDZDPMLNHNV-UHFFFAOYSA-N -1 1 324.344 0.678 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H](C)NC(=O)C(C)C)n1 ZINC001580685339 1165686958 /nfs/dbraw/zinc/68/69/58/1165686958.db2.gz QNJGAZVPOBQRMV-VHSXEESVSA-N -1 1 318.385 0.926 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H](C)NC(=O)C(C)C)n1 ZINC001580685339 1165686961 /nfs/dbraw/zinc/68/69/61/1165686961.db2.gz QNJGAZVPOBQRMV-VHSXEESVSA-N -1 1 318.385 0.926 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)NC(=O)C2CCC2)n1 ZINC001580750650 1165708819 /nfs/dbraw/zinc/70/88/19/1165708819.db2.gz WJDUPVZJOPKMEX-VIFPVBQESA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)NC(=O)C2CCC2)n1 ZINC001580750650 1165708825 /nfs/dbraw/zinc/70/88/25/1165708825.db2.gz WJDUPVZJOPKMEX-VIFPVBQESA-N -1 1 316.369 0.682 20 0 DCADMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001581260950 1165806082 /nfs/dbraw/zinc/80/60/82/1165806082.db2.gz LUIORPCTQWHZDJ-NWDGAFQWSA-N -1 1 324.348 0.439 20 0 DCADMM Cc1nc(N[C@H](C)c2nnnn2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001581492413 1165833861 /nfs/dbraw/zinc/83/38/61/1165833861.db2.gz DUPLQCSANLMWEW-ZCFIWIBFSA-N -1 1 313.329 0.460 20 0 DCADMM Cc1nc(N[C@H](C)c2nnnn2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001581492413 1165833865 /nfs/dbraw/zinc/83/38/65/1165833865.db2.gz DUPLQCSANLMWEW-ZCFIWIBFSA-N -1 1 313.329 0.460 20 0 DCADMM Cc1nc(NCc2nc(C(N)=O)cs2)cc(-c2nnn[n-]2)n1 ZINC001581526420 1165838985 /nfs/dbraw/zinc/83/89/85/1165838985.db2.gz YLIISQCFKQCPOQ-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cc1nc(NCc2nc(C(N)=O)cs2)cc(-c2nn[n-]n2)n1 ZINC001581526420 1165838990 /nfs/dbraw/zinc/83/89/90/1165838990.db2.gz YLIISQCFKQCPOQ-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cc1ncc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c(N)n1 ZINC001581541981 1165840096 /nfs/dbraw/zinc/84/00/96/1165840096.db2.gz CHRNYIFPKIWAJG-UHFFFAOYSA-N -1 1 316.350 0.539 20 0 DCADMM Cc1nsc(N(C)C[C@@H](C)NC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001581660664 1165856589 /nfs/dbraw/zinc/85/65/89/1165856589.db2.gz GYPZVAQNVIPGFB-SSDOTTSWSA-N -1 1 321.410 0.983 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(N(C)C)ncn1 ZINC001581727129 1165862433 /nfs/dbraw/zinc/86/24/33/1165862433.db2.gz KKFTUYBQGNSOKQ-UHFFFAOYSA-N -1 1 314.309 0.876 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(N(C)C)ncn1 ZINC001581727129 1165862437 /nfs/dbraw/zinc/86/24/37/1165862437.db2.gz KKFTUYBQGNSOKQ-UHFFFAOYSA-N -1 1 314.309 0.876 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H]2C(F)(F)F)c1-c1nnn[n-]1 ZINC001581739817 1165864716 /nfs/dbraw/zinc/86/47/16/1165864716.db2.gz RBSXPWPERIQNIN-PHDIDXHHSA-N -1 1 316.243 0.773 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H]2C(F)(F)F)c1-c1nn[n-]n1 ZINC001581739817 1165864717 /nfs/dbraw/zinc/86/47/17/1165864717.db2.gz RBSXPWPERIQNIN-PHDIDXHHSA-N -1 1 316.243 0.773 20 0 DCADMM O=C(CC1CC1)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001581972077 1165927730 /nfs/dbraw/zinc/92/77/30/1165927730.db2.gz FRFRSEPTFYVEIE-AOOOYVTPSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(CC1CC1)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001581972077 1165927735 /nfs/dbraw/zinc/92/77/35/1165927735.db2.gz FRFRSEPTFYVEIE-AOOOYVTPSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(CCC(=O)NC1CCCC1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582012473 1165937025 /nfs/dbraw/zinc/93/70/25/1165937025.db2.gz CQFXFQDSBXJSKS-UHFFFAOYSA-N -1 1 318.341 0.367 20 0 DCADMM O=C(CCC(=O)NC1CCCC1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582012473 1165937036 /nfs/dbraw/zinc/93/70/36/1165937036.db2.gz CQFXFQDSBXJSKS-UHFFFAOYSA-N -1 1 318.341 0.367 20 0 DCADMM O=C(CCCCCO)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001582040677 1165942588 /nfs/dbraw/zinc/94/25/88/1165942588.db2.gz CHHYZDDXCZNPEG-UHFFFAOYSA-N -1 1 305.342 0.958 20 0 DCADMM O=C(CCCF)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001582045013 1165943514 /nfs/dbraw/zinc/94/35/14/1165943514.db2.gz IVWDPXZDFNVDGX-UHFFFAOYSA-N -1 1 320.332 0.467 20 0 DCADMM O=C(CCCF)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001582045013 1165943519 /nfs/dbraw/zinc/94/35/19/1165943519.db2.gz IVWDPXZDFNVDGX-UHFFFAOYSA-N -1 1 320.332 0.467 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001582137652 1165965607 /nfs/dbraw/zinc/96/56/07/1165965607.db2.gz GODQXOVDTCDPQA-NTZNESFSSA-N -1 1 314.349 0.034 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001582137652 1165965613 /nfs/dbraw/zinc/96/56/13/1165965613.db2.gz GODQXOVDTCDPQA-NTZNESFSSA-N -1 1 314.349 0.034 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)Nc1ccc(F)c(Cl)c1 ZINC001582188047 1165978943 /nfs/dbraw/zinc/97/89/43/1165978943.db2.gz FQHGDADCVZIBIC-UHFFFAOYSA-N -1 1 322.691 0.889 20 0 DCADMM O=C(N[C@@H](CO)[C@@H]1CCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582231367 1165985836 /nfs/dbraw/zinc/98/58/36/1165985836.db2.gz PXSQUKRHPLFCEG-KCJUWKMLSA-N -1 1 321.312 0.133 20 0 DCADMM O=C(N[C@@H](CO)[C@@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582231367 1165985843 /nfs/dbraw/zinc/98/58/43/1165985843.db2.gz PXSQUKRHPLFCEG-KCJUWKMLSA-N -1 1 321.312 0.133 20 0 DCADMM O=C(NC1(c2ncon2)CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001582244761 1165991143 /nfs/dbraw/zinc/99/11/43/1165991143.db2.gz FCJHBQWLRXDTRX-UHFFFAOYSA-N -1 1 301.266 0.652 20 0 DCADMM O=C(NC1(c2ncon2)CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001582244761 1165991149 /nfs/dbraw/zinc/99/11/49/1165991149.db2.gz FCJHBQWLRXDTRX-UHFFFAOYSA-N -1 1 301.266 0.652 20 0 DCADMM O=C(N[C@@H]1Cc2ccccc2NC1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001582337476 1166004072 /nfs/dbraw/zinc/00/40/72/1166004072.db2.gz KVFCLKKGAPDPLE-SNVBAGLBSA-N -1 1 324.300 0.753 20 0 DCADMM O=C(N[C@@H]1Cc2ccccc2NC1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001582337476 1166004076 /nfs/dbraw/zinc/00/40/76/1166004076.db2.gz KVFCLKKGAPDPLE-SNVBAGLBSA-N -1 1 324.300 0.753 20 0 DCADMM O=C(NC[C@H](O)c1cncs1)c1ccsc1-c1nnn[n-]1 ZINC001582380929 1166008817 /nfs/dbraw/zinc/00/88/17/1166008817.db2.gz GNHZVQGIJCJLAT-ZETCQYMHSA-N -1 1 322.375 0.848 20 0 DCADMM O=C(NC[C@H](O)c1cncs1)c1ccsc1-c1nn[n-]n1 ZINC001582380929 1166008820 /nfs/dbraw/zinc/00/88/20/1166008820.db2.gz GNHZVQGIJCJLAT-ZETCQYMHSA-N -1 1 322.375 0.848 20 0 DCADMM O=C(NC[C@H](O)c1cncs1)c1ccc(-c2nnn[n-]2)s1 ZINC001582381646 1166009000 /nfs/dbraw/zinc/00/90/00/1166009000.db2.gz MJDKFTILKYZKTK-LURJTMIESA-N -1 1 322.375 0.848 20 0 DCADMM O=C(NC[C@H](O)c1cncs1)c1ccc(-c2nn[n-]n2)s1 ZINC001582381646 1166009005 /nfs/dbraw/zinc/00/90/05/1166009005.db2.gz MJDKFTILKYZKTK-LURJTMIESA-N -1 1 322.375 0.848 20 0 DCADMM O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1csc(-c2nn[n-]n2)c1 ZINC001582490539 1166026118 /nfs/dbraw/zinc/02/61/18/1166026118.db2.gz PYLQNIMJPODWTJ-JEZHCXPESA-N -1 1 321.362 0.462 20 0 DCADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001582541153 1166035478 /nfs/dbraw/zinc/03/54/78/1166035478.db2.gz WTXAHRULQGXXSW-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001582541153 1166035487 /nfs/dbraw/zinc/03/54/87/1166035487.db2.gz WTXAHRULQGXXSW-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1CC[C@H](O)C1 ZINC001582550449 1166039191 /nfs/dbraw/zinc/03/91/91/1166039191.db2.gz XPZVCMUCTDXNPL-IUCAKERBSA-N -1 1 322.394 0.888 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc(C(F)F)n[nH]1 ZINC001582554397 1166041426 /nfs/dbraw/zinc/04/14/26/1166041426.db2.gz HFSATJHYELZBHW-UHFFFAOYSA-N -1 1 320.263 0.852 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc(C(F)F)n[nH]1 ZINC001582554397 1166041434 /nfs/dbraw/zinc/04/14/34/1166041434.db2.gz HFSATJHYELZBHW-UHFFFAOYSA-N -1 1 320.263 0.852 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCc2n[nH]cc2C1 ZINC001582554936 1166041586 /nfs/dbraw/zinc/04/15/86/1166041586.db2.gz YARXFULDFNPMDR-SNVBAGLBSA-N -1 1 324.348 0.406 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001582557990 1166045361 /nfs/dbraw/zinc/04/53/61/1166045361.db2.gz BYTTVWJRZAGUHA-RNJXMRFFSA-N -1 1 318.362 0.555 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001582557990 1166045369 /nfs/dbraw/zinc/04/53/69/1166045369.db2.gz BYTTVWJRZAGUHA-RNJXMRFFSA-N -1 1 318.362 0.555 20 0 DCADMM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001582573576 1166047836 /nfs/dbraw/zinc/04/78/36/1166047836.db2.gz RTCCGZOUNHTNBV-SKDRFNHKSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001582573576 1166047840 /nfs/dbraw/zinc/04/78/40/1166047840.db2.gz RTCCGZOUNHTNBV-SKDRFNHKSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001582645119 1166059485 /nfs/dbraw/zinc/05/94/85/1166059485.db2.gz LZORYKLYOBJTPN-WCABBAIRSA-N -1 1 315.337 0.496 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001582645119 1166059488 /nfs/dbraw/zinc/05/94/88/1166059488.db2.gz LZORYKLYOBJTPN-WCABBAIRSA-N -1 1 315.337 0.496 20 0 DCADMM O=C(Nc1ccc2c(c1)CCNC2=O)c1ccc(-c2nn[n-]n2)o1 ZINC001582642475 1166059590 /nfs/dbraw/zinc/05/95/90/1166059590.db2.gz NEZRVLNPKLGPQR-UHFFFAOYSA-N -1 1 324.300 0.998 20 0 DCADMM O=C(Nc1ncc2c(c1-c1nn[n-]n1)COCC2)c1ncccn1 ZINC001582653166 1166060855 /nfs/dbraw/zinc/06/08/55/1166060855.db2.gz GRYCPEXSSWHQNW-UHFFFAOYSA-N -1 1 324.304 0.377 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(OC(F)F)nc1 ZINC001582650049 1166060987 /nfs/dbraw/zinc/06/09/87/1166060987.db2.gz KJIKTUGRTJWVQZ-UHFFFAOYSA-N -1 1 322.235 0.839 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C[C@H](O)CC(F)(F)C1 ZINC001582744641 1166074368 /nfs/dbraw/zinc/07/43/68/1166074368.db2.gz AEKMZHWKFWWVAN-SSDOTTSWSA-N -1 1 315.305 0.770 20 0 DCADMM O=C1C[C@@H](c2cccc(Nc3ccnc(-c4nn[n-]n4)n3)c2)CN1 ZINC001582759736 1166076583 /nfs/dbraw/zinc/07/65/83/1166076583.db2.gz HDKZEHPAKSYNPO-SNVBAGLBSA-N -1 1 322.332 0.426 20 0 DCADMM O=C1CC[C@H](c2cccc(Nc3ccnc(-c4nn[n-]n4)n3)c2)N1 ZINC001582767070 1166078280 /nfs/dbraw/zinc/07/82/80/1166078280.db2.gz PVEKEAZVVAERBO-LLVKDONJSA-N -1 1 322.332 0.773 20 0 DCADMM O=S(=O)(NCc1ccnc(-c2nnn[n-]2)c1)c1cccnc1 ZINC001582797590 1166083452 /nfs/dbraw/zinc/08/34/52/1166083452.db2.gz NHPARKAVMCEBKY-UHFFFAOYSA-N -1 1 317.334 0.135 20 0 DCADMM O=S(=O)(NCc1ccnc(-c2nn[n-]n2)c1)c1cccnc1 ZINC001582797590 1166083455 /nfs/dbraw/zinc/08/34/55/1166083455.db2.gz NHPARKAVMCEBKY-UHFFFAOYSA-N -1 1 317.334 0.135 20 0 DCADMM OC[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1CO ZINC001582813886 1166093872 /nfs/dbraw/zinc/09/38/72/1166093872.db2.gz HPKKZNYSMZKWQG-WDSKDSINSA-N -1 1 316.774 0.014 20 0 DCADMM OC[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1CO ZINC001582813886 1166093879 /nfs/dbraw/zinc/09/38/79/1166093879.db2.gz HPKKZNYSMZKWQG-WDSKDSINSA-N -1 1 316.774 0.014 20 0 DCADMM O[C@@H]1COC[C@H]1Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001582814452 1166094055 /nfs/dbraw/zinc/09/40/55/1166094055.db2.gz LOPYTDODTGYYSY-HTQZYQBOSA-N -1 1 316.243 0.452 20 0 DCADMM O[C@@H]1COC[C@H]1Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001582814452 1166094062 /nfs/dbraw/zinc/09/40/62/1166094062.db2.gz LOPYTDODTGYYSY-HTQZYQBOSA-N -1 1 316.243 0.452 20 0 DCADMM c1coc(-c2nc(CNc3nccnc3-c3nnn[n-]3)no2)c1 ZINC001582818236 1166095713 /nfs/dbraw/zinc/09/57/13/1166095713.db2.gz BXEZKUIPPHZWLK-UHFFFAOYSA-N -1 1 311.265 0.912 20 0 DCADMM c1coc(-c2nc(CNc3nccnc3-c3nn[n-]n3)no2)c1 ZINC001582818236 1166095716 /nfs/dbraw/zinc/09/57/16/1166095716.db2.gz BXEZKUIPPHZWLK-UHFFFAOYSA-N -1 1 311.265 0.912 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCCO[C@@H]1CC1(F)F ZINC001583927451 1166295438 /nfs/dbraw/zinc/29/54/38/1166295438.db2.gz TVQVAEQLDQFYLV-SECBINFHSA-N -1 1 315.276 0.057 20 0 DCADMM Nc1cc(F)c(F)cc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001585183636 1166410893 /nfs/dbraw/zinc/41/08/93/1166410893.db2.gz REUKMHCIMKIBLH-JTQLQIEISA-N -1 1 310.264 0.274 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1c[nH]c(=O)n1C ZINC001585871032 1166463328 /nfs/dbraw/zinc/46/33/28/1166463328.db2.gz YHCFRABLOYGYKA-UHFFFAOYSA-N -1 1 316.321 0.421 20 0 DCADMM Cn1c(CCCNC(=O)CCc2nn[n-]n2)nc2ccccc21 ZINC001585905178 1166467203 /nfs/dbraw/zinc/46/72/03/1166467203.db2.gz TUXNSIMSSYIYLV-UHFFFAOYSA-N -1 1 313.365 0.768 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NCCCc2c[nH][nH]c2=O)c1 ZINC001585938579 1166471462 /nfs/dbraw/zinc/47/14/62/1166471462.db2.gz ZYIJERPJNOZVRB-SNVBAGLBSA-N -1 1 303.318 0.755 20 0 DCADMM CC(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588807059 1166591131 /nfs/dbraw/zinc/59/11/31/1166591131.db2.gz XASYEZFZWKLARE-SCZZXKLOSA-N -1 1 302.342 0.183 20 0 DCADMM CC(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588807059 1166591138 /nfs/dbraw/zinc/59/11/38/1166591138.db2.gz XASYEZFZWKLARE-SCZZXKLOSA-N -1 1 302.342 0.183 20 0 DCADMM CC(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588809946 1166593864 /nfs/dbraw/zinc/59/38/64/1166593864.db2.gz OWSNAEIZAXNVOS-WCBMZHEXSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588809946 1166593871 /nfs/dbraw/zinc/59/38/71/1166593871.db2.gz OWSNAEIZAXNVOS-WCBMZHEXSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588819029 1166598060 /nfs/dbraw/zinc/59/80/60/1166598060.db2.gz REJZDIJATXIJPL-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001588824424 1166600324 /nfs/dbraw/zinc/60/03/24/1166600324.db2.gz LWPLJAGQDLIDIW-JTQLQIEISA-N -1 1 301.354 0.627 20 0 DCADMM CC(=O)N1CCN(c2ccc(C)c(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588824424 1166600328 /nfs/dbraw/zinc/60/03/28/1166600328.db2.gz LWPLJAGQDLIDIW-JTQLQIEISA-N -1 1 301.354 0.627 20 0 DCADMM CC(=O)N1CC[C@@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001588825898 1166600654 /nfs/dbraw/zinc/60/06/54/1166600654.db2.gz BWTUVPLBLCAJSS-SNVBAGLBSA-N -1 1 302.294 0.039 20 0 DCADMM CC(=O)N1CC[C@@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001588825898 1166600656 /nfs/dbraw/zinc/60/06/56/1166600656.db2.gz BWTUVPLBLCAJSS-SNVBAGLBSA-N -1 1 302.294 0.039 20 0 DCADMM CC(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588831483 1166602278 /nfs/dbraw/zinc/60/22/78/1166602278.db2.gz STVYISXZKSVQJH-CYBMUJFWSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588831483 1166602280 /nfs/dbraw/zinc/60/22/80/1166602280.db2.gz STVYISXZKSVQJH-CYBMUJFWSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)NCC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588857378 1166610613 /nfs/dbraw/zinc/61/06/13/1166610613.db2.gz HZERBSUDHWUOEM-LLVKDONJSA-N -1 1 316.369 0.399 20 0 DCADMM CC(=O)NCC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588857378 1166610617 /nfs/dbraw/zinc/61/06/17/1166610617.db2.gz HZERBSUDHWUOEM-LLVKDONJSA-N -1 1 316.369 0.399 20 0 DCADMM CC(=O)NCCC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588858354 1166611443 /nfs/dbraw/zinc/61/14/43/1166611443.db2.gz VKCYTHFDXGJCOQ-NSHDSACASA-N -1 1 316.369 0.542 20 0 DCADMM CC(=O)NCCC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588858354 1166611446 /nfs/dbraw/zinc/61/14/46/1166611446.db2.gz VKCYTHFDXGJCOQ-NSHDSACASA-N -1 1 316.369 0.542 20 0 DCADMM C[C@@H](C(=O)N1CCCC2(CC2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588954375 1166620801 /nfs/dbraw/zinc/62/08/01/1166620801.db2.gz LNOKPCXZXKOIIV-JTQLQIEISA-N -1 1 316.369 0.812 20 0 DCADMM C[C@H](C(=O)N1CCC(C2CC2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588947975 1166621431 /nfs/dbraw/zinc/62/14/31/1166621431.db2.gz BCOMAZJEMBOQJK-SECBINFHSA-N -1 1 316.369 0.668 20 0 DCADMM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001588965909 1166625078 /nfs/dbraw/zinc/62/50/78/1166625078.db2.gz OOZXXKBFZKFNGQ-MRVPVSSYSA-N -1 1 320.353 0.835 20 0 DCADMM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001588965909 1166625083 /nfs/dbraw/zinc/62/50/83/1166625083.db2.gz OOZXXKBFZKFNGQ-MRVPVSSYSA-N -1 1 320.353 0.835 20 0 DCADMM C[C@H](C(=O)NC[C@@]1(C)CCCS1)n1cnc(-c2nn[n-]n2)n1 ZINC001588978815 1166625151 /nfs/dbraw/zinc/62/51/51/1166625151.db2.gz OTJVSIAVSJOIPF-PRHODGIISA-N -1 1 322.398 0.421 20 0 DCADMM C[C@H](C(=O)Nc1cccc(F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589019009 1166628230 /nfs/dbraw/zinc/62/82/30/1166628230.db2.gz WBWZNPVCLHPBCN-SSDOTTSWSA-N -1 1 302.273 0.797 20 0 DCADMM CC(C)n1nccc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589020096 1166628962 /nfs/dbraw/zinc/62/89/62/1166628962.db2.gz CXPJPONHWJQTEE-QMMMGPOBSA-N -1 1 316.329 0.435 20 0 DCADMM C[C@H](C(=O)Nc1ccc(Cl)nn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589016141 1166629348 /nfs/dbraw/zinc/62/93/48/1166629348.db2.gz YQWNAYWZFLOGKU-RXMQYKEDSA-N -1 1 320.704 0.101 20 0 DCADMM C[C@H](C(=O)OC[C@H]1CCCS1)n1cnc(-c2nn[n-]n2)n1 ZINC001589027473 1166631074 /nfs/dbraw/zinc/63/10/74/1166631074.db2.gz OBKPIEPJQLDHES-HTQZYQBOSA-N -1 1 309.355 0.458 20 0 DCADMM CC(C)(C)[C@H]1NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001589107024 1166634829 /nfs/dbraw/zinc/63/48/29/1166634829.db2.gz QTSLALFJVWKDSR-QMMMGPOBSA-N -1 1 321.366 0.790 20 0 DCADMM CC(C)(C)[C@H]1NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001589107024 1166634833 /nfs/dbraw/zinc/63/48/33/1166634833.db2.gz QTSLALFJVWKDSR-QMMMGPOBSA-N -1 1 321.366 0.790 20 0 DCADMM CC(C)(C)OC(=O)[C@](C)(O)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001589145135 1166638496 /nfs/dbraw/zinc/63/84/96/1166638496.db2.gz HLPZEAPFUMCIDB-CYBMUJFWSA-N -1 1 321.341 0.161 20 0 DCADMM CC(C)(C)OC(=O)[C@](C)(O)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001589145135 1166638501 /nfs/dbraw/zinc/63/85/01/1166638501.db2.gz HLPZEAPFUMCIDB-CYBMUJFWSA-N -1 1 321.341 0.161 20 0 DCADMM CC(C)(C)n1nnc(CNc2cccc(-c3nnn[n-]3)n2)n1 ZINC001589264018 1166641787 /nfs/dbraw/zinc/64/17/87/1166641787.db2.gz JURGOTSYCFODET-UHFFFAOYSA-N -1 1 300.330 0.615 20 0 DCADMM CC(C)(C)n1nnc(CNc2cccc(-c3nn[n-]n3)n2)n1 ZINC001589264018 1166641789 /nfs/dbraw/zinc/64/17/89/1166641789.db2.gz JURGOTSYCFODET-UHFFFAOYSA-N -1 1 300.330 0.615 20 0 DCADMM CC(C)=CC(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589366812 1166652660 /nfs/dbraw/zinc/65/26/60/1166652660.db2.gz CKRWMEHZJBXMMH-VIFPVBQESA-N -1 1 302.342 0.540 20 0 DCADMM CC(C)=CC(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589366812 1166652664 /nfs/dbraw/zinc/65/26/64/1166652664.db2.gz CKRWMEHZJBXMMH-VIFPVBQESA-N -1 1 302.342 0.540 20 0 DCADMM CC(C)C(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589401598 1166654212 /nfs/dbraw/zinc/65/42/12/1166654212.db2.gz RODIAHSWLCCSON-DTWKUNHWSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589401598 1166654220 /nfs/dbraw/zinc/65/42/20/1166654220.db2.gz RODIAHSWLCCSON-DTWKUNHWSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C[C@H]1COCCN1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001589574467 1166666740 /nfs/dbraw/zinc/66/67/40/1166666740.db2.gz VZLXHKHQSZOYIC-LBPRGKRZSA-N -1 1 318.381 0.733 20 0 DCADMM CC(C)C[C@@H]1C(=O)NCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001589571696 1166667691 /nfs/dbraw/zinc/66/76/91/1166667691.db2.gz LRLPJVDSOSEIGC-SECBINFHSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)N1CC[C@H](NCc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001589714499 1166676985 /nfs/dbraw/zinc/67/69/85/1166676985.db2.gz JIXQYINFXDMUMB-QMMMGPOBSA-N -1 1 307.383 0.422 20 0 DCADMM CC(C)N1CC[C@H](NCc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001589714499 1166676989 /nfs/dbraw/zinc/67/69/89/1166676989.db2.gz JIXQYINFXDMUMB-QMMMGPOBSA-N -1 1 307.383 0.422 20 0 DCADMM C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001589793933 1166687589 /nfs/dbraw/zinc/68/75/89/1166687589.db2.gz FVVKBNZTWZWDHF-RXMQYKEDSA-N -1 1 317.352 0.070 20 0 DCADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589803830 1166690044 /nfs/dbraw/zinc/69/00/44/1166690044.db2.gz UMRSEBPLWYVARW-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589803830 1166690048 /nfs/dbraw/zinc/69/00/48/1166690048.db2.gz UMRSEBPLWYVARW-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM CC(C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001589833144 1166695006 /nfs/dbraw/zinc/69/50/06/1166695006.db2.gz OVRAZJIIVQOIBT-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001589833144 1166695010 /nfs/dbraw/zinc/69/50/10/1166695010.db2.gz OVRAZJIIVQOIBT-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(F)(F)C[N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC001589908179 1166712589 /nfs/dbraw/zinc/71/25/89/1166712589.db2.gz JQFZCINQVYXGPM-UHFFFAOYSA-N -1 1 317.321 0.941 20 0 DCADMM C[C@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)[C@H]1CCOC1 ZINC001589934748 1166724046 /nfs/dbraw/zinc/72/40/46/1166724046.db2.gz NVDAIHNGGLTXFP-YUMQZZPRSA-N -1 1 323.382 0.547 20 0 DCADMM C[C@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)[C@H]1CCOC1 ZINC001589934748 1166724052 /nfs/dbraw/zinc/72/40/52/1166724052.db2.gz NVDAIHNGGLTXFP-YUMQZZPRSA-N -1 1 323.382 0.547 20 0 DCADMM C[C@H](O)[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC001589995133 1166741607 /nfs/dbraw/zinc/74/16/07/1166741607.db2.gz KTRCCWUVAGDBAR-CBAPKCEASA-N -1 1 310.745 0.501 20 0 DCADMM C[C@H](O)[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC001589995133 1166741612 /nfs/dbraw/zinc/74/16/12/1166741612.db2.gz KTRCCWUVAGDBAR-CBAPKCEASA-N -1 1 310.745 0.501 20 0 DCADMM C[C@@H](O)[C@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001589996104 1166744118 /nfs/dbraw/zinc/74/41/18/1166744118.db2.gz PWNNFCPYKPZHHC-BDAKNGLRSA-N -1 1 305.313 0.849 20 0 DCADMM C[C@@H](O)[C@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001589996104 1166744123 /nfs/dbraw/zinc/74/41/23/1166744123.db2.gz PWNNFCPYKPZHHC-BDAKNGLRSA-N -1 1 305.313 0.849 20 0 DCADMM C[C@H](O)[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589997110 1166744169 /nfs/dbraw/zinc/74/41/69/1166744169.db2.gz QNPDFFNPOMLBJH-GWCFXTLKSA-N -1 1 316.365 0.566 20 0 DCADMM C[C@H](O)[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589997110 1166744171 /nfs/dbraw/zinc/74/41/71/1166744171.db2.gz QNPDFFNPOMLBJH-GWCFXTLKSA-N -1 1 316.365 0.566 20 0 DCADMM C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589998148 1166746100 /nfs/dbraw/zinc/74/61/00/1166746100.db2.gz WEYFRGMIIUDWNU-BXKDBHETSA-N -1 1 302.338 0.637 20 0 DCADMM C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589998148 1166746108 /nfs/dbraw/zinc/74/61/08/1166746108.db2.gz WEYFRGMIIUDWNU-BXKDBHETSA-N -1 1 302.338 0.637 20 0 DCADMM CC1(C)C[C@@](C)(NCc2nc(-c3nnn[n-]3)cs2)C(=O)O1 ZINC001590080532 1166768755 /nfs/dbraw/zinc/76/87/55/1166768755.db2.gz QBZKNECITVXBNJ-GFCCVEGCSA-N -1 1 308.367 0.897 20 0 DCADMM CC1(C)C[C@@](C)(NCc2nc(-c3nn[n-]n3)cs2)C(=O)O1 ZINC001590080532 1166768764 /nfs/dbraw/zinc/76/87/64/1166768764.db2.gz QBZKNECITVXBNJ-GFCCVEGCSA-N -1 1 308.367 0.897 20 0 DCADMM CC1(C)C[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C(=O)O1 ZINC001590082564 1166769125 /nfs/dbraw/zinc/76/91/25/1166769125.db2.gz HWJIWHWLHBWKFS-SECBINFHSA-N -1 1 302.294 0.086 20 0 DCADMM CC1(C)C[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C(=O)O1 ZINC001590082564 1166769126 /nfs/dbraw/zinc/76/91/26/1166769126.db2.gz HWJIWHWLHBWKFS-SECBINFHSA-N -1 1 302.294 0.086 20 0 DCADMM CC1(C)C[C@@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C(=O)O1 ZINC001590083478 1166770161 /nfs/dbraw/zinc/77/01/61/1166770161.db2.gz UEGLGLKCOKNGRZ-SECBINFHSA-N -1 1 319.296 0.830 20 0 DCADMM CC1(C)C[C@@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C(=O)O1 ZINC001590083478 1166770169 /nfs/dbraw/zinc/77/01/69/1166770169.db2.gz UEGLGLKCOKNGRZ-SECBINFHSA-N -1 1 319.296 0.830 20 0 DCADMM CC1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)OCCCO1 ZINC001590132506 1166786014 /nfs/dbraw/zinc/78/60/14/1166786014.db2.gz QXKVFUFADLSYNW-UHFFFAOYSA-N -1 1 304.310 0.145 20 0 DCADMM CC1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)OCCCO1 ZINC001590132506 1166786019 /nfs/dbraw/zinc/78/60/19/1166786019.db2.gz QXKVFUFADLSYNW-UHFFFAOYSA-N -1 1 304.310 0.145 20 0 DCADMM C[C@@]1(COC(=O)c2csc(-c3nnn[n-]3)c2)COC(=O)N1 ZINC001590139477 1166787401 /nfs/dbraw/zinc/78/74/01/1166787401.db2.gz IXNOXUKXBXPGRD-LLVKDONJSA-N -1 1 309.307 0.584 20 0 DCADMM C[C@@]1(COC(=O)c2csc(-c3nn[n-]n3)c2)COC(=O)N1 ZINC001590139477 1166787404 /nfs/dbraw/zinc/78/74/04/1166787404.db2.gz IXNOXUKXBXPGRD-LLVKDONJSA-N -1 1 309.307 0.584 20 0 DCADMM C[C@@]12COC[C@@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001590154132 1166789494 /nfs/dbraw/zinc/78/94/94/1166789494.db2.gz AURHJAUGDRVDEY-IINYFYTJSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@@]12COC[C@@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001590154132 1166789498 /nfs/dbraw/zinc/78/94/98/1166789498.db2.gz AURHJAUGDRVDEY-IINYFYTJSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@]12COC[C@@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001590154130 1166791637 /nfs/dbraw/zinc/79/16/37/1166791637.db2.gz AURHJAUGDRVDEY-HZMBPMFUSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@]12COC[C@@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001590154130 1166791644 /nfs/dbraw/zinc/79/16/44/1166791644.db2.gz AURHJAUGDRVDEY-HZMBPMFUSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@@H]1[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](C)C(=O)N1C ZINC001590167849 1166799385 /nfs/dbraw/zinc/79/93/85/1166799385.db2.gz PYUXKVBZUCASKK-VGMNWLOBSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](C)C(=O)N1C ZINC001590167849 1166799390 /nfs/dbraw/zinc/79/93/90/1166799390.db2.gz PYUXKVBZUCASKK-VGMNWLOBSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590214804 1166815853 /nfs/dbraw/zinc/81/58/53/1166815853.db2.gz CUNXKIWSFIMLOU-JAFKPYBISA-N -1 1 314.353 0.397 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590214804 1166815859 /nfs/dbraw/zinc/81/58/59/1166815859.db2.gz CUNXKIWSFIMLOU-JAFKPYBISA-N -1 1 314.353 0.397 20 0 DCADMM C[C@@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CS1(=O)=O ZINC001590238601 1166824676 /nfs/dbraw/zinc/82/46/76/1166824676.db2.gz GNZZWOXNUYXLPY-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CS1(=O)=O ZINC001590238601 1166824684 /nfs/dbraw/zinc/82/46/84/1166824684.db2.gz GNZZWOXNUYXLPY-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CC[C@H]1NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590238235 1166825155 /nfs/dbraw/zinc/82/51/55/1166825155.db2.gz CZLIEAYTYFLKGT-HTQZYQBOSA-N -1 1 301.310 0.115 20 0 DCADMM C[C@@H]1CC[C@H]1NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590238235 1166825160 /nfs/dbraw/zinc/82/51/60/1166825160.db2.gz CZLIEAYTYFLKGT-HTQZYQBOSA-N -1 1 301.310 0.115 20 0 DCADMM C[C@H](C(=O)NC[C@@H]1CCC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590246139 1166825887 /nfs/dbraw/zinc/82/58/87/1166825887.db2.gz BTMUWKJKILPNLL-BBBLOLIVSA-N -1 1 304.358 0.572 20 0 DCADMM C[C@@H]1CCC[C@@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)O1 ZINC001590242883 1166827453 /nfs/dbraw/zinc/82/74/53/1166827453.db2.gz MQAVLZHGYATNEZ-BDAKNGLRSA-N -1 1 320.357 0.679 20 0 DCADMM C[C@@H]1CCC[C@@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)O1 ZINC001590242883 1166827457 /nfs/dbraw/zinc/82/74/57/1166827457.db2.gz MQAVLZHGYATNEZ-BDAKNGLRSA-N -1 1 320.357 0.679 20 0 DCADMM C[C@@H]1CCC[C@H](C)N1C(=O)COc1cnc(-c2nn[n-]n2)nc1 ZINC001590243749 1166827684 /nfs/dbraw/zinc/82/76/84/1166827684.db2.gz MZYSQZQSGZHJQM-AOOOYVTPSA-N -1 1 317.353 0.825 20 0 DCADMM C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001590263094 1166829891 /nfs/dbraw/zinc/82/98/91/1166829891.db2.gz DWYUWDQUTHFGAD-VIFPVBQESA-N -1 1 304.358 0.353 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCS1 ZINC001590266464 1166831708 /nfs/dbraw/zinc/83/17/08/1166831708.db2.gz BRVLOMWGCFXDDT-QMMMGPOBSA-N -1 1 322.398 0.960 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCS1 ZINC001590266464 1166831711 /nfs/dbraw/zinc/83/17/11/1166831711.db2.gz BRVLOMWGCFXDDT-QMMMGPOBSA-N -1 1 322.398 0.960 20 0 DCADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](C(N)=O)C1 ZINC001590270571 1166833143 /nfs/dbraw/zinc/83/31/43/1166833143.db2.gz ZUTBBAQGPGCOGS-JGVFFNPUSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](C(N)=O)C1 ZINC001590270571 1166833149 /nfs/dbraw/zinc/83/31/49/1166833149.db2.gz ZUTBBAQGPGCOGS-JGVFFNPUSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@@H]1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)CCS1 ZINC001590273074 1166836314 /nfs/dbraw/zinc/83/63/14/1166836314.db2.gz UUARKXVFJMPQTL-SNVBAGLBSA-N -1 1 306.395 0.813 20 0 DCADMM C[C@@H]1CCS(=O)(=O)N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590278470 1166841139 /nfs/dbraw/zinc/84/11/39/1166841139.db2.gz QXGSPEKZKHBWJU-ZCFIWIBFSA-N -1 1 300.369 0.247 20 0 DCADMM C[C@@H]1CCS(=O)(=O)N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590278470 1166841146 /nfs/dbraw/zinc/84/11/46/1166841146.db2.gz QXGSPEKZKHBWJU-ZCFIWIBFSA-N -1 1 300.369 0.247 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H](C)S1=O ZINC001590300262 1166848838 /nfs/dbraw/zinc/84/88/38/1166848838.db2.gz UXEIFJNXCZHVLS-RKDXNWHRSA-N -1 1 320.378 0.243 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H](C)S1=O ZINC001590300262 1166848844 /nfs/dbraw/zinc/84/88/44/1166848844.db2.gz UXEIFJNXCZHVLS-RKDXNWHRSA-N -1 1 320.378 0.243 20 0 DCADMM C[C@H]1OCC[C@@]12CN(c1ccc(-c3nnn[n-]3)nn1)C[C@@H](C)O2 ZINC001590312882 1166857174 /nfs/dbraw/zinc/85/71/74/1166857174.db2.gz RROJGSZEJFGRPO-GPCCPHFNSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@H]1OCC[C@@]12CN(c1ccc(-c3nn[n-]n3)nn1)C[C@@H](C)O2 ZINC001590312882 1166857181 /nfs/dbraw/zinc/85/71/81/1166857181.db2.gz RROJGSZEJFGRPO-GPCCPHFNSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H](CO)O1 ZINC001590313597 1166857417 /nfs/dbraw/zinc/85/74/17/1166857417.db2.gz WIVLKNSUSUEINQ-HTQZYQBOSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H](CO)O1 ZINC001590313597 1166857423 /nfs/dbraw/zinc/85/74/23/1166857423.db2.gz WIVLKNSUSUEINQ-HTQZYQBOSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@@H]1COCC[C@@H]1CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590322749 1166863540 /nfs/dbraw/zinc/86/35/40/1166863540.db2.gz GTFHVDHEXPBZQE-ZYHUDNBSSA-N -1 1 316.365 0.593 20 0 DCADMM C[C@@H]1COCC[C@@H]1CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590322749 1166863546 /nfs/dbraw/zinc/86/35/46/1166863546.db2.gz GTFHVDHEXPBZQE-ZYHUDNBSSA-N -1 1 316.365 0.593 20 0 DCADMM C[C@H]1OCC[C@@]12CN(c1ncncc1-c1nn[n-]n1)CCO2 ZINC001590333832 1166869869 /nfs/dbraw/zinc/86/98/69/1166869869.db2.gz LEWZJLDKKDXIBS-NOZJJQNGSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590333914 1166870023 /nfs/dbraw/zinc/87/00/23/1166870023.db2.gz HRFINHHADCYKTN-LITAXDCLSA-N -1 1 322.394 0.999 20 0 DCADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590333914 1166870030 /nfs/dbraw/zinc/87/00/30/1166870030.db2.gz HRFINHHADCYKTN-LITAXDCLSA-N -1 1 322.394 0.999 20 0 DCADMM C[C@@H]1OCC[C@@]1(O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590333098 1166871824 /nfs/dbraw/zinc/87/18/24/1166871824.db2.gz BZMXLSCAJMQSEB-JVXZTZIISA-N -1 1 310.745 0.867 20 0 DCADMM C[C@@H]1OCC[C@@]1(O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590333098 1166871829 /nfs/dbraw/zinc/87/18/29/1166871829.db2.gz BZMXLSCAJMQSEB-JVXZTZIISA-N -1 1 310.745 0.867 20 0 DCADMM C/C=C(\C)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590344024 1166876170 /nfs/dbraw/zinc/87/61/70/1166876170.db2.gz AZPYMAGBSIIOHE-MZTCIMCMSA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(\C)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590344024 1166876180 /nfs/dbraw/zinc/87/61/80/1166876180.db2.gz AZPYMAGBSIIOHE-MZTCIMCMSA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(/CC)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590349759 1166878212 /nfs/dbraw/zinc/87/82/12/1166878212.db2.gz LXOKJEJBUSLLLZ-WTKPLQERSA-N -1 1 318.385 0.919 20 0 DCADMM C/C=C(/CC)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590349759 1166878217 /nfs/dbraw/zinc/87/82/17/1166878217.db2.gz LXOKJEJBUSLLLZ-WTKPLQERSA-N -1 1 318.385 0.919 20 0 DCADMM C/C=C(\C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001590350414 1166878329 /nfs/dbraw/zinc/87/83/29/1166878329.db2.gz QRKSEIFHOJBGTP-RUDMXATFSA-N -1 1 302.342 0.175 20 0 DCADMM C/C=C(\C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001590350414 1166878332 /nfs/dbraw/zinc/87/83/32/1166878332.db2.gz QRKSEIFHOJBGTP-RUDMXATFSA-N -1 1 302.342 0.175 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590347159 1166878424 /nfs/dbraw/zinc/87/84/24/1166878424.db2.gz CDJSRNFDRLBGIJ-IUNRCPQZSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590347159 1166878430 /nfs/dbraw/zinc/87/84/30/1166878430.db2.gz CDJSRNFDRLBGIJ-IUNRCPQZSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590348202 1166880362 /nfs/dbraw/zinc/88/03/62/1166880362.db2.gz RCXBXNRRDSDSMT-RZCNENHTSA-N -1 1 314.353 0.318 20 0 DCADMM 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/nfs/dbraw/zinc/88/68/71/1166886871.db2.gz TZIQGMIKGOMIFP-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCC(=O)N[C@H](C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590363751 1166886877 /nfs/dbraw/zinc/88/68/77/1166886877.db2.gz TZIQGMIKGOMIFP-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCC(=O)NCCOCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001590366586 1166889423 /nfs/dbraw/zinc/88/94/23/1166889423.db2.gz ZOFHELGELAKTJM-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM CCC(=O)NCCOCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001590366586 1166889426 /nfs/dbraw/zinc/88/94/26/1166889426.db2.gz ZOFHELGELAKTJM-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001590366195 1166890054 /nfs/dbraw/zinc/89/00/54/1166890054.db2.gz ZVDAXJSOHFCYIM-MRVPVSSYSA-N -1 1 307.383 0.737 20 0 DCADMM CC/C(C)=C\C(=O)NCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590388034 1166894239 /nfs/dbraw/zinc/89/42/39/1166894239.db2.gz HXGIZNVCFVKBCV-KTKRTIGZSA-N -1 1 316.369 0.931 20 0 DCADMM CC/C(C)=C\C(=O)NCCCNc1ccc(-c2nn[n-]n2)nn1 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CC[C@H](CNC(=O)C(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590438064 1166905064 /nfs/dbraw/zinc/90/50/64/1166905064.db2.gz VJLBFBSBQZGUNB-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@H](CNC(=O)C=C(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590440342 1166906175 /nfs/dbraw/zinc/90/61/75/1166906175.db2.gz IXNHWTYISOXCFO-SNVBAGLBSA-N -1 1 316.369 0.352 20 0 DCADMM CC[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001590477210 1166920259 /nfs/dbraw/zinc/92/02/59/1166920259.db2.gz FYCHERSFEMFVCT-JTQLQIEISA-N -1 1 305.294 0.299 20 0 DCADMM CC[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC001590477210 1166920264 /nfs/dbraw/zinc/92/02/64/1166920264.db2.gz FYCHERSFEMFVCT-JTQLQIEISA-N -1 1 305.294 0.299 20 0 DCADMM CC[C@@]1(C)CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCO1 ZINC001590490594 1166923045 /nfs/dbraw/zinc/92/30/45/1166923045.db2.gz QGRAMWGTGDLLNK-AWEZNQCLSA-N -1 1 304.354 0.487 20 0 DCADMM CC[C@@H]1CCCCN1C(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001590511835 1166929464 /nfs/dbraw/zinc/92/94/64/1166929464.db2.gz 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/nfs/dbraw/zinc/17/66/48/1167176648.db2.gz AIDRKWPSMOOSAL-AUTRQRHGSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001591248595 1167176653 /nfs/dbraw/zinc/17/66/53/1167176653.db2.gz AIDRKWPSMOOSAL-AUTRQRHGSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@@H]1CCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591252772 1167178502 /nfs/dbraw/zinc/17/85/02/1167178502.db2.gz NJAJWOZUDRBKLS-VIFPVBQESA-N -1 1 323.259 0.532 20 0 DCADMM COC(=O)[C@@H]1CCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591252772 1167178505 /nfs/dbraw/zinc/17/85/05/1167178505.db2.gz NJAJWOZUDRBKLS-VIFPVBQESA-N -1 1 323.259 0.532 20 0 DCADMM COC(=O)C[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591260579 1167183251 /nfs/dbraw/zinc/18/32/51/1167183251.db2.gz NSMCNQNDLAGKHJ-SCSAIBSYSA-N -1 1 318.746 0.313 20 0 DCADMM COC(=O)CC1(NC(=O)c2coc(-c3nnn[n-]3)c2)CCC1 ZINC001591259919 1167184077 /nfs/dbraw/zinc/18/40/77/1167184077.db2.gz PAJMEIRLBFFQDC-UHFFFAOYSA-N -1 1 305.294 0.675 20 0 DCADMM COC(=O)CC1(NC(=O)c2coc(-c3nn[n-]n3)c2)CCC1 ZINC001591259919 1167184079 /nfs/dbraw/zinc/18/40/79/1167184079.db2.gz PAJMEIRLBFFQDC-UHFFFAOYSA-N -1 1 305.294 0.675 20 0 DCADMM COC(=O)CN(C)CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC001591266775 1167187716 /nfs/dbraw/zinc/18/77/16/1167187716.db2.gz VZIVDPDIZRQRNV-UHFFFAOYSA-N -1 1 322.325 0.120 20 0 DCADMM COC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591271753 1167191326 /nfs/dbraw/zinc/19/13/26/1167191326.db2.gz YDNIVQPRAOTZFU-UHFFFAOYSA-N -1 1 308.298 0.196 20 0 DCADMM COC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591271753 1167191333 /nfs/dbraw/zinc/19/13/33/1167191333.db2.gz YDNIVQPRAOTZFU-UHFFFAOYSA-N -1 1 308.298 0.196 20 0 DCADMM COC(=O)[C@@H](F)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591276710 1167196387 /nfs/dbraw/zinc/19/63/87/1167196387.db2.gz KURDSUICLCQDRY-VKHMYHEASA-N -1 1 306.710 0.900 20 0 DCADMM COC(=O)[C@@H](F)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591276710 1167196389 /nfs/dbraw/zinc/19/63/89/1167196389.db2.gz KURDSUICLCQDRY-VKHMYHEASA-N -1 1 306.710 0.900 20 0 DCADMM COC(=O)[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001591279825 1167198429 /nfs/dbraw/zinc/19/84/29/1167198429.db2.gz XZUJKDJDDXHFGH-HTRCEHHLSA-N -1 1 308.367 0.877 20 0 DCADMM COC(=O)c1ccc(NOCCOC(C)C)c(-c2nnn[n-]2)n1 ZINC001591296463 1167204752 /nfs/dbraw/zinc/20/47/52/1167204752.db2.gz LTPQUOLITGVLPG-UHFFFAOYSA-N -1 1 322.325 0.817 20 0 DCADMM COC(=O)c1ccc(NOCCOC(C)C)c(-c2nn[n-]n2)n1 ZINC001591296463 1167204760 /nfs/dbraw/zinc/20/47/60/1167204760.db2.gz LTPQUOLITGVLPG-UHFFFAOYSA-N -1 1 322.325 0.817 20 0 DCADMM COC(=O)c1cn(Cc2nc(-c3nnn[n-]3)cs2)c(C)n1 ZINC001591305442 1167205011 /nfs/dbraw/zinc/20/50/11/1167205011.db2.gz HMDQFQALUGBWAT-UHFFFAOYSA-N -1 1 305.323 0.663 20 0 DCADMM COC(=O)c1cn(Cc2nc(-c3nn[n-]n3)cs2)c(C)n1 ZINC001591305442 1167205017 /nfs/dbraw/zinc/20/50/17/1167205017.db2.gz HMDQFQALUGBWAT-UHFFFAOYSA-N -1 1 305.323 0.663 20 0 DCADMM CO[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCOC1 ZINC001591310016 1167209352 /nfs/dbraw/zinc/20/93/52/1167209352.db2.gz GNMPGSYIJLEKPG-BXKDBHETSA-N -1 1 318.337 0.276 20 0 DCADMM CO[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCOC1 ZINC001591310016 1167209359 /nfs/dbraw/zinc/20/93/59/1167209359.db2.gz GNMPGSYIJLEKPG-BXKDBHETSA-N -1 1 318.337 0.276 20 0 DCADMM CO[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCOC1 ZINC001591313933 1167209517 /nfs/dbraw/zinc/20/95/17/1167209517.db2.gz GRMGRRHNAZJUPN-ZYHUDNBSSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC001591313933 1167209525 /nfs/dbraw/zinc/20/95/25/1167209525.db2.gz GRMGRRHNAZJUPN-ZYHUDNBSSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@@H](C(=O)OCc1cccnc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC001591314588 1167210548 /nfs/dbraw/zinc/21/05/48/1167210548.db2.gz KBZCXHGUNHVWFR-ZYHUDNBSSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@@H](C(=O)OCc1cccnc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC001591314588 1167210554 /nfs/dbraw/zinc/21/05/54/1167210554.db2.gz KBZCXHGUNHVWFR-ZYHUDNBSSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001591317848 1167211793 /nfs/dbraw/zinc/21/17/93/1167211793.db2.gz XRPHUKALPLZAEF-MRVPVSSYSA-N -1 1 320.338 0.383 20 0 DCADMM CO[C@@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001591317848 1167211798 /nfs/dbraw/zinc/21/17/98/1167211798.db2.gz XRPHUKALPLZAEF-MRVPVSSYSA-N -1 1 320.338 0.383 20 0 DCADMM CO[C@@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCCC1 ZINC001591316911 1167213046 /nfs/dbraw/zinc/21/30/46/1167213046.db2.gz PXLXGQKEJGVELQ-SNVBAGLBSA-N -1 1 305.342 0.744 20 0 DCADMM CO[C@@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCCC1 ZINC001591316911 1167213049 /nfs/dbraw/zinc/21/30/49/1167213049.db2.gz PXLXGQKEJGVELQ-SNVBAGLBSA-N -1 1 305.342 0.744 20 0 DCADMM COC1(C)CCN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001591337790 1167222081 /nfs/dbraw/zinc/22/20/81/1167222081.db2.gz AXMJEWWAOHZLNL-SECBINFHSA-N -1 1 320.357 0.047 20 0 DCADMM CO[C@@]1(COC(=O)c2ccc(-c3nnn[n-]3)nc2)CCOC1 ZINC001591344020 1167225029 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CO[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H]1C ZINC001591357942 1167232673 /nfs/dbraw/zinc/23/26/73/1167232673.db2.gz QSCUPYXDORBGHX-WPRPVWTQSA-N -1 1 320.357 0.489 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591360443 1167234327 /nfs/dbraw/zinc/23/43/27/1167234327.db2.gz ICURTFTVOACKRU-GXSJLCMTSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591360443 1167234334 /nfs/dbraw/zinc/23/43/34/1167234334.db2.gz ICURTFTVOACKRU-GXSJLCMTSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001591359749 1167234728 /nfs/dbraw/zinc/23/47/28/1167234728.db2.gz FYPRHQBKAOHRIC-YFKPBYRVSA-N -1 1 302.747 0.786 20 0 DCADMM CO[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001591359749 1167234730 /nfs/dbraw/zinc/23/47/30/1167234730.db2.gz FYPRHQBKAOHRIC-YFKPBYRVSA-N -1 1 302.747 0.786 20 0 DCADMM CO[C@H]1COCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591362745 1167237437 /nfs/dbraw/zinc/23/74/37/1167237437.db2.gz QEEWYGSJXIAVLN-KWQFWETISA-N -1 1 307.310 0.241 20 0 DCADMM CO[C@H]1COCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591362745 1167237440 /nfs/dbraw/zinc/23/74/40/1167237440.db2.gz QEEWYGSJXIAVLN-KWQFWETISA-N -1 1 307.310 0.241 20 0 DCADMM COC[C@@H](CCNC(=O)c1cccc(F)c1-c1nnn[n-]1)OC ZINC001591376245 1167246570 /nfs/dbraw/zinc/24/65/70/1167246570.db2.gz POVCEHJERVMHCA-SECBINFHSA-N -1 1 323.328 0.787 20 0 DCADMM COC[C@@H](CCNC(=O)c1cccc(F)c1-c1nn[n-]n1)OC ZINC001591376245 1167246575 /nfs/dbraw/zinc/24/65/75/1167246575.db2.gz POVCEHJERVMHCA-SECBINFHSA-N -1 1 323.328 0.787 20 0 DCADMM COC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001591375218 1167247755 /nfs/dbraw/zinc/24/77/55/1167247755.db2.gz CTHKHFRGNZNQQV-NSHDSACASA-N -1 1 304.354 0.910 20 0 DCADMM COC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001591375218 1167247761 /nfs/dbraw/zinc/24/77/61/1167247761.db2.gz CTHKHFRGNZNQQV-NSHDSACASA-N -1 1 304.354 0.910 20 0 DCADMM COC[C@H](CCNC(=O)c1cccc(F)c1-c1nnn[n-]1)OC ZINC001591376247 1167247969 /nfs/dbraw/zinc/24/79/69/1167247969.db2.gz POVCEHJERVMHCA-VIFPVBQESA-N -1 1 323.328 0.787 20 0 DCADMM COC[C@H](CCNC(=O)c1cccc(F)c1-c1nn[n-]n1)OC ZINC001591376247 1167247976 /nfs/dbraw/zinc/24/79/76/1167247976.db2.gz POVCEHJERVMHCA-VIFPVBQESA-N -1 1 323.328 0.787 20 0 DCADMM COC[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001591381132 1167252046 /nfs/dbraw/zinc/25/20/46/1167252046.db2.gz GDULHTOXOFQGLV-ZJUUUORDSA-N -1 1 323.378 0.852 20 0 DCADMM COCC1(CCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC001591387295 1167257132 /nfs/dbraw/zinc/25/71/32/1167257132.db2.gz CRQLYUZWKUXCTE-UHFFFAOYSA-N -1 1 320.353 0.639 20 0 DCADMM COCC1(CCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC001591387295 1167257137 /nfs/dbraw/zinc/25/71/37/1167257137.db2.gz CRQLYUZWKUXCTE-UHFFFAOYSA-N -1 1 320.353 0.639 20 0 DCADMM COC[C@]1(CO)CCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC001591388261 1167258800 /nfs/dbraw/zinc/25/88/00/1167258800.db2.gz ANMHVKNRRKFQKU-CQSZACIVSA-N -1 1 304.354 0.405 20 0 DCADMM COCCCOC1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591416902 1167275645 /nfs/dbraw/zinc/27/56/45/1167275645.db2.gz RQQODQGZRLNZCV-UHFFFAOYSA-N -1 1 307.310 0.337 20 0 DCADMM COCCCOC1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591416902 1167275651 /nfs/dbraw/zinc/27/56/51/1167275651.db2.gz RQQODQGZRLNZCV-UHFFFAOYSA-N -1 1 307.310 0.337 20 0 DCADMM COCCN(CC(=O)OC)Cc1csc(-c2nn[n-]n2)c1 ZINC001591421838 1167279123 /nfs/dbraw/zinc/27/91/23/1167279123.db2.gz XDZYFPWMYFIKSM-UHFFFAOYSA-N -1 1 311.367 0.550 20 0 DCADMM COCCO[C@@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591434692 1167285732 /nfs/dbraw/zinc/28/57/32/1167285732.db2.gz TXAXKBNENJHNOR-LLVKDONJSA-N -1 1 318.337 0.139 20 0 DCADMM COCCO[C@@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591434692 1167285738 /nfs/dbraw/zinc/28/57/38/1167285738.db2.gz TXAXKBNENJHNOR-LLVKDONJSA-N -1 1 318.337 0.139 20 0 DCADMM COC[C@@H](O)CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001591452261 1167291697 /nfs/dbraw/zinc/29/16/97/1167291697.db2.gz AYIHLHQFVAZXQD-QMMMGPOBSA-N -1 1 316.321 0.085 20 0 DCADMM COCn1cc(NC(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001591464291 1167295834 /nfs/dbraw/zinc/29/58/34/1167295834.db2.gz QVTRQNGTSVKWFK-UHFFFAOYSA-N -1 1 305.323 0.981 20 0 DCADMM COCn1cc(NC(=O)c2ccsc2-c2nn[n-]n2)cn1 ZINC001591464291 1167295842 /nfs/dbraw/zinc/29/58/42/1167295842.db2.gz QVTRQNGTSVKWFK-UHFFFAOYSA-N -1 1 305.323 0.981 20 0 DCADMM CO[C@@H]1CCN(C(=O)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001591469052 1167300664 /nfs/dbraw/zinc/30/06/64/1167300664.db2.gz HFOWCXZLVFTOPA-SSDOTTSWSA-N -1 1 309.355 0.884 20 0 DCADMM CO[C@@H]1CCN(C(=O)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001591469052 1167300667 /nfs/dbraw/zinc/30/06/67/1167300667.db2.gz HFOWCXZLVFTOPA-SSDOTTSWSA-N -1 1 309.355 0.884 20 0 DCADMM CO[C@]12CCC[C@@]1(C(=O)n1ncc(-c3nn[n-]n3)c1N)CCO2 ZINC001591473478 1167304934 /nfs/dbraw/zinc/30/49/34/1167304934.db2.gz GRKXGYZIHJNUNR-STQMWFEESA-N -1 1 319.325 0.219 20 0 DCADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001591608331 1167339422 /nfs/dbraw/zinc/33/94/22/1167339422.db2.gz DIWITTRGQYTFTR-UHFFFAOYSA-N -1 1 300.282 0.106 20 0 DCADMM COc1nn(C)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001591670178 1167346545 /nfs/dbraw/zinc/34/65/45/1167346545.db2.gz WWQKUJDOJAWVEU-UHFFFAOYSA-N -1 1 315.293 0.567 20 0 DCADMM CS(C)(=O)=NCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591685288 1167353932 /nfs/dbraw/zinc/35/39/32/1167353932.db2.gz MUDKEVOGOVMEBH-UHFFFAOYSA-N -1 1 314.396 0.386 20 0 DCADMM CS[C@H]1C[C@H](NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591702724 1167358602 /nfs/dbraw/zinc/35/86/02/1167358602.db2.gz ULASYBKUJWAHBR-BWZBUEFSSA-N -1 1 308.371 0.029 20 0 DCADMM C[C@@H](CF)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591722987 1167362007 /nfs/dbraw/zinc/36/20/07/1167362007.db2.gz DNLGLKOFJGZJNY-LURJTMIESA-N -1 1 303.294 0.642 20 0 DCADMM C[C@@H](CF)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591722987 1167362012 /nfs/dbraw/zinc/36/20/12/1167362012.db2.gz DNLGLKOFJGZJNY-LURJTMIESA-N -1 1 303.294 0.642 20 0 DCADMM Cc1[nH]c(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(C)c1C=O ZINC001591788945 1167380415 /nfs/dbraw/zinc/38/04/15/1167380415.db2.gz JSJXXRMNRAYXAP-UHFFFAOYSA-N -1 1 300.282 0.091 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@]23CCOC3)nn1C ZINC001591799968 1167383411 /nfs/dbraw/zinc/38/34/11/1167383411.db2.gz VSGJIELELUEPLK-OQPBUACISA-N -1 1 303.326 0.274 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@]23CCOC3)nn1C ZINC001591799968 1167383415 /nfs/dbraw/zinc/38/34/15/1167383415.db2.gz VSGJIELELUEPLK-OQPBUACISA-N -1 1 303.326 0.274 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCOC[C@@H]2C)nn1C ZINC001591797710 1167384270 /nfs/dbraw/zinc/38/42/70/1167384270.db2.gz AOHBKZNHZYIFSO-IONNQARKSA-N -1 1 305.342 0.520 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCOC[C@@H]2C)nn1C ZINC001591797710 1167384276 /nfs/dbraw/zinc/38/42/76/1167384276.db2.gz AOHBKZNHZYIFSO-IONNQARKSA-N -1 1 305.342 0.520 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCOC[C@@H]2CCCO2)c1 ZINC001591836591 1167390219 /nfs/dbraw/zinc/39/02/19/1167390219.db2.gz CJZKJOOUJRMAAR-NSHDSACASA-N -1 1 305.338 0.532 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCc3ncsc3C2)n1 ZINC001591889022 1167410883 /nfs/dbraw/zinc/41/08/83/1167410883.db2.gz YSTWZWSKQZXIQT-UHFFFAOYSA-N -1 1 300.351 0.984 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCc3ncsc3C2)n1 ZINC001591889022 1167410886 /nfs/dbraw/zinc/41/08/86/1167410886.db2.gz YSTWZWSKQZXIQT-UHFFFAOYSA-N -1 1 300.351 0.984 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](OC(=O)N(C)C)C2)n1 ZINC001591886804 1167411644 /nfs/dbraw/zinc/41/16/44/1167411644.db2.gz GMIBCGSKNPUTKL-VIFPVBQESA-N -1 1 318.341 0.242 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](OC(=O)N(C)C)C2)n1 ZINC001591886804 1167411645 /nfs/dbraw/zinc/41/16/45/1167411645.db2.gz GMIBCGSKNPUTKL-VIFPVBQESA-N -1 1 318.341 0.242 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)C(C)C)c1 ZINC001591884335 1167411883 /nfs/dbraw/zinc/41/18/83/1167411883.db2.gz FAUTXXDEWJUQSJ-UHFFFAOYSA-N -1 1 303.370 0.779 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)C(C)C)c1 ZINC001591884335 1167411888 /nfs/dbraw/zinc/41/18/88/1167411888.db2.gz FAUTXXDEWJUQSJ-UHFFFAOYSA-N -1 1 303.370 0.779 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)C(C)C)n1 ZINC001591884363 1167411929 /nfs/dbraw/zinc/41/19/29/1167411929.db2.gz JQPWPBGEIIJVAP-UHFFFAOYSA-N -1 1 304.358 0.174 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)C(C)C)n1 ZINC001591884363 1167411934 /nfs/dbraw/zinc/41/19/34/1167411934.db2.gz JQPWPBGEIIJVAP-UHFFFAOYSA-N -1 1 304.358 0.174 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)n1 ZINC001591892493 1167412982 /nfs/dbraw/zinc/41/29/82/1167412982.db2.gz PBDCEELVWQLCAM-NMLBEHRDSA-N -1 1 314.353 0.386 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)n1 ZINC001591892493 1167412986 /nfs/dbraw/zinc/41/29/86/1167412986.db2.gz PBDCEELVWQLCAM-NMLBEHRDSA-N -1 1 314.353 0.386 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@H](C(N)=O)C2)n1 ZINC001591893065 1167413503 /nfs/dbraw/zinc/41/35/03/1167413503.db2.gz YWKLOQAOOXTCRW-DTWKUNHWSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@H](C(N)=O)C2)n1 ZINC001591893065 1167413508 /nfs/dbraw/zinc/41/35/08/1167413508.db2.gz YWKLOQAOOXTCRW-DTWKUNHWSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)nn1C(C)(C)C ZINC001591941418 1167422180 /nfs/dbraw/zinc/42/21/80/1167422180.db2.gz VUZVJYIQBRXMHD-UHFFFAOYSA-N -1 1 315.341 0.594 20 0 DCADMM Cc1cc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C)o1 ZINC001591938780 1167422201 /nfs/dbraw/zinc/42/22/01/1167422201.db2.gz CEAHVWJTODIHBA-QMMMGPOBSA-N -1 1 316.325 0.545 20 0 DCADMM Cc1cc(COCC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)on1 ZINC001591973110 1167427966 /nfs/dbraw/zinc/42/79/66/1167427966.db2.gz TYNCWASLWNSVIW-UHFFFAOYSA-N -1 1 318.297 0.350 20 0 DCADMM Cc1cc(N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592035721 1167440405 /nfs/dbraw/zinc/44/04/05/1167440405.db2.gz PQVMLBXJHAIOAJ-DGCLKSJQSA-N -1 1 320.397 0.562 20 0 DCADMM Cc1cc(N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592035721 1167440415 /nfs/dbraw/zinc/44/04/15/1167440415.db2.gz PQVMLBXJHAIOAJ-DGCLKSJQSA-N -1 1 320.397 0.562 20 0 DCADMM Cc1cc(NC[C@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592044961 1167443218 /nfs/dbraw/zinc/44/32/18/1167443218.db2.gz UOSANSZVJPSKJW-SNVBAGLBSA-N -1 1 313.365 0.993 20 0 DCADMM Cc1cc(NC[C@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592044961 1167443223 /nfs/dbraw/zinc/44/32/23/1167443223.db2.gz UOSANSZVJPSKJW-SNVBAGLBSA-N -1 1 313.365 0.993 20 0 DCADMM Cc1cc(NC[C@@H]2CCCCS2(=O)=O)nc(-c2nnn[n-]2)c1 ZINC001592044654 1167445109 /nfs/dbraw/zinc/44/51/09/1167445109.db2.gz VUAFXJCWTZNCPI-JTQLQIEISA-N -1 1 322.394 0.949 20 0 DCADMM Cc1cc(NC[C@@H]2CCCCS2(=O)=O)nc(-c2nn[n-]n2)c1 ZINC001592044654 1167445112 /nfs/dbraw/zinc/44/51/12/1167445112.db2.gz VUAFXJCWTZNCPI-JTQLQIEISA-N -1 1 322.394 0.949 20 0 DCADMM Cc1cc(O)cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001592056044 1167446633 /nfs/dbraw/zinc/44/66/33/1167446633.db2.gz IPFMHHSRKGBXBG-UHFFFAOYSA-N -1 1 300.282 0.111 20 0 DCADMM Cc1cc(N[C@H]2CS(=O)(=O)C[C@H]2C)nc(-c2nnn[n-]2)c1 ZINC001592054844 1167447083 /nfs/dbraw/zinc/44/70/83/1167447083.db2.gz GITPKGJEVGZBTH-SCZZXKLOSA-N -1 1 308.367 0.415 20 0 DCADMM Cc1cc(N[C@H]2CS(=O)(=O)C[C@H]2C)nc(-c2nn[n-]n2)c1 ZINC001592054844 1167447086 /nfs/dbraw/zinc/44/70/86/1167447086.db2.gz GITPKGJEVGZBTH-SCZZXKLOSA-N -1 1 308.367 0.415 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCC2=C(CCC(=O)N2)C1 ZINC001592110719 1167457783 /nfs/dbraw/zinc/45/77/83/1167457783.db2.gz UCCARMDXIGANNX-UHFFFAOYSA-N -1 1 311.349 0.944 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC2=C(CCC(=O)N2)C1 ZINC001592110719 1167457790 /nfs/dbraw/zinc/45/77/90/1167457790.db2.gz UCCARMDXIGANNX-UHFFFAOYSA-N -1 1 311.349 0.944 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001592112868 1167458556 /nfs/dbraw/zinc/45/85/56/1167458556.db2.gz AKTVUOPRCWCKTH-SCVCMEIPSA-N -1 1 302.338 0.786 20 0 DCADMM Cc1ccc(N2CC[C@H](C)[S@@](=O)CC2)c(-c2nnn[n-]2)n1 ZINC001592174449 1167468105 /nfs/dbraw/zinc/46/81/05/1167468105.db2.gz FEOICIUZNFOTGD-CWKPULSASA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(N2CC[C@H](C)[S@@](=O)CC2)c(-c2nn[n-]n2)n1 ZINC001592174449 1167468109 /nfs/dbraw/zinc/46/81/09/1167468109.db2.gz FEOICIUZNFOTGD-CWKPULSASA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(N2CC[C@@H](N3CCOC3=O)C2)c(-c2nnn[n-]2)n1 ZINC001592178014 1167470796 /nfs/dbraw/zinc/47/07/96/1167470796.db2.gz RYOBYPJFOMNJDH-SNVBAGLBSA-N -1 1 315.337 0.601 20 0 DCADMM Cc1ccc(N2CC[C@@H](N3CCOC3=O)C2)c(-c2nn[n-]n2)n1 ZINC001592178014 1167470801 /nfs/dbraw/zinc/47/08/01/1167470801.db2.gz RYOBYPJFOMNJDH-SNVBAGLBSA-N -1 1 315.337 0.601 20 0 DCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cn(C)nn1 ZINC001592203018 1167475145 /nfs/dbraw/zinc/47/51/45/1167475145.db2.gz TUWQYMUCYIGADG-UHFFFAOYSA-N -1 1 323.320 0.062 20 0 DCADMM Cc1cccc(O)c1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592236690 1167477693 /nfs/dbraw/zinc/47/76/93/1167477693.db2.gz MSTILHKKTNJEAI-MRVPVSSYSA-N -1 1 314.309 0.672 20 0 DCADMM Cc1cccc(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592231046 1167478183 /nfs/dbraw/zinc/47/81/83/1167478183.db2.gz FEKCTWGHIMTXPG-SNVBAGLBSA-N -1 1 312.337 0.644 20 0 DCADMM Cc1ccccc1Oc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001592260156 1167480498 /nfs/dbraw/zinc/48/04/98/1167480498.db2.gz KOWACYPAUAHSJH-UHFFFAOYSA-N -1 1 300.278 0.354 20 0 DCADMM Cc1ccn(CN2CC[C@@H](C)[C@H](F)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266960 1167480830 /nfs/dbraw/zinc/48/08/30/1167480830.db2.gz KQGXJLNRAZVOFH-MWLCHTKSSA-N -1 1 306.345 0.974 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)c1-c1nn[n-]n1 ZINC001592327101 1167488878 /nfs/dbraw/zinc/48/88/78/1167488878.db2.gz CBJAYEZTDIRIPJ-HTQZYQBOSA-N -1 1 318.341 0.128 20 0 DCADMM Cc1n[nH]c(C)c1CCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592325672 1167489318 /nfs/dbraw/zinc/48/93/18/1167489318.db2.gz VHGHRLGFBXUMTE-UHFFFAOYSA-N -1 1 301.310 0.772 20 0 DCADMM Cc1n[nH]c(C)c1CCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592325672 1167489322 /nfs/dbraw/zinc/48/93/22/1167489322.db2.gz VHGHRLGFBXUMTE-UHFFFAOYSA-N -1 1 301.310 0.772 20 0 DCADMM Cc1[nH]nc(NC(=O)c2nn(C)c(C)c2Cl)c1-c1nn[n-]n1 ZINC001592331111 1167490927 /nfs/dbraw/zinc/49/09/27/1167490927.db2.gz QQCSCXQBNFGILB-UHFFFAOYSA-N -1 1 321.732 0.846 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1 ZINC001592341382 1167495338 /nfs/dbraw/zinc/49/53/38/1167495338.db2.gz RXTYPZWSOZHJIK-NWDGAFQWSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1 ZINC001592341382 1167495341 /nfs/dbraw/zinc/49/53/41/1167495341.db2.gz RXTYPZWSOZHJIK-NWDGAFQWSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cs1 ZINC001592377126 1167510299 /nfs/dbraw/zinc/51/02/99/1167510299.db2.gz KXYYWYZWTKVMNU-RXMQYKEDSA-N -1 1 305.327 0.423 20 0 DCADMM Cc1nc(NCCCN2CCCC2=O)cc(-c2nnn[n-]2)n1 ZINC001592390810 1167512744 /nfs/dbraw/zinc/51/27/44/1167512744.db2.gz WXYVUMNOMHOIOX-UHFFFAOYSA-N -1 1 302.342 0.390 20 0 DCADMM Cc1nc(NCCCN2CCCC2=O)cc(-c2nn[n-]n2)n1 ZINC001592390810 1167512747 /nfs/dbraw/zinc/51/27/47/1167512747.db2.gz WXYVUMNOMHOIOX-UHFFFAOYSA-N -1 1 302.342 0.390 20 0 DCADMM Cc1nc(NCC[C@]2(O)CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592388915 1167513164 /nfs/dbraw/zinc/51/31/64/1167513164.db2.gz CZTJCMFGHJSXPH-CYBMUJFWSA-N -1 1 305.342 0.309 20 0 DCADMM Cc1nc(NCC[C@]2(O)CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592388915 1167513165 /nfs/dbraw/zinc/51/31/65/1167513165.db2.gz CZTJCMFGHJSXPH-CYBMUJFWSA-N -1 1 305.342 0.309 20 0 DCADMM Cc1ncsc1COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592426023 1167519627 /nfs/dbraw/zinc/51/96/27/1167519627.db2.gz OEXRWJBWSSSMSR-ZETCQYMHSA-N -1 1 320.338 0.528 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCO[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592433543 1167521044 /nfs/dbraw/zinc/52/10/44/1167521044.db2.gz FFVRVGLBPLZDCO-CBAPKCEASA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592433543 1167521049 /nfs/dbraw/zinc/52/10/49/1167521049.db2.gz FFVRVGLBPLZDCO-CBAPKCEASA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(Cc2coc(C3CC3)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437433 1167521653 /nfs/dbraw/zinc/52/16/53/1167521653.db2.gz GPNRDTQZICGHGY-UHFFFAOYSA-N -1 1 313.321 0.954 20 0 DCADMM Cc1nsc(NC(=O)N2CCOC[C@@H]2C)c1-c1nnn[n-]1 ZINC001592479599 1167535266 /nfs/dbraw/zinc/53/52/66/1167535266.db2.gz DISJXJNOAPGUMP-LURJTMIESA-N -1 1 309.355 0.884 20 0 DCADMM Cc1nsc(NC(=O)N2CCOC[C@@H]2C)c1-c1nn[n-]n1 ZINC001592479599 1167535270 /nfs/dbraw/zinc/53/52/70/1167535270.db2.gz DISJXJNOAPGUMP-LURJTMIESA-N -1 1 309.355 0.884 20 0 DCADMM Cc1nsc(NC(=O)NC2([C@@H](C)O)CC2)c1-c1nnn[n-]1 ZINC001592481540 1167538540 /nfs/dbraw/zinc/53/85/40/1167538540.db2.gz RLGHBGAAEJGVKM-ZCFIWIBFSA-N -1 1 309.355 0.667 20 0 DCADMM Cc1nsc(NC(=O)NC2([C@@H](C)O)CC2)c1-c1nn[n-]n1 ZINC001592481540 1167538546 /nfs/dbraw/zinc/53/85/46/1167538546.db2.gz RLGHBGAAEJGVKM-ZCFIWIBFSA-N -1 1 309.355 0.667 20 0 DCADMM Cc1oc(NC(=O)[C@@H](C)N2CCOCC2)c(-c2nn[n-]n2)c1C ZINC001592509639 1167543989 /nfs/dbraw/zinc/54/39/89/1167543989.db2.gz UOWAOJHVWFELKU-SECBINFHSA-N -1 1 320.353 0.736 20 0 DCADMM Cc1onc(CC(=O)NCC(F)(F)C(F)F)c1-c1nnn[n-]1 ZINC001592517835 1167546186 /nfs/dbraw/zinc/54/61/86/1167546186.db2.gz UAMKKAYRNBHNFX-UHFFFAOYSA-N -1 1 322.222 0.722 20 0 DCADMM Cc1onc(CC(=O)NCC(F)(F)C(F)F)c1-c1nn[n-]n1 ZINC001592517835 1167546196 /nfs/dbraw/zinc/54/61/96/1167546196.db2.gz UAMKKAYRNBHNFX-UHFFFAOYSA-N -1 1 322.222 0.722 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@]2(C)CC2(F)F)c(-c2nn[n-]n2)c1=O ZINC001592545616 1167549942 /nfs/dbraw/zinc/54/99/42/1167549942.db2.gz HADVLPLHNSFOPR-JTQLQIEISA-N -1 1 313.268 0.123 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC001592557120 1167558066 /nfs/dbraw/zinc/55/80/66/1167558066.db2.gz QGUGXRCHMNKLMJ-SNVBAGLBSA-N -1 1 324.348 0.845 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC001592557120 1167558070 /nfs/dbraw/zinc/55/80/70/1167558070.db2.gz QGUGXRCHMNKLMJ-SNVBAGLBSA-N -1 1 324.348 0.845 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001592557079 1167558357 /nfs/dbraw/zinc/55/83/57/1167558357.db2.gz OKYOHEUMOHUTSL-SNVBAGLBSA-N -1 1 324.348 0.845 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001592557079 1167558364 /nfs/dbraw/zinc/55/83/64/1167558364.db2.gz OKYOHEUMOHUTSL-SNVBAGLBSA-N -1 1 324.348 0.845 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CSC(F)(F)F)n1 ZINC001592559171 1167559277 /nfs/dbraw/zinc/55/92/77/1167559277.db2.gz ZEPJBYLEMGTHIP-UHFFFAOYSA-N -1 1 307.261 0.792 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CSC(F)(F)F)n1 ZINC001592559171 1167559284 /nfs/dbraw/zinc/55/92/84/1167559284.db2.gz ZEPJBYLEMGTHIP-UHFFFAOYSA-N -1 1 307.261 0.792 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2c2ccncc2)n1 ZINC001592560474 1167559911 /nfs/dbraw/zinc/55/99/11/1167559911.db2.gz FUQUYSSDUHIPQU-VHSXEESVSA-N -1 1 310.321 0.737 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2c2ccncc2)n1 ZINC001592560474 1167559919 /nfs/dbraw/zinc/55/99/19/1167559919.db2.gz FUQUYSSDUHIPQU-VHSXEESVSA-N -1 1 310.321 0.737 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2C[C@H]2C2CC2)n1 ZINC001592559864 1167561729 /nfs/dbraw/zinc/56/17/29/1167561729.db2.gz MMTFSHAAJKFMAY-IUCAKERBSA-N -1 1 302.342 0.768 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2C[C@H]2C2CC2)n1 ZINC001592559864 1167561735 /nfs/dbraw/zinc/56/17/35/1167561735.db2.gz MMTFSHAAJKFMAY-IUCAKERBSA-N -1 1 302.342 0.768 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnc3cnccc3c2)n1 ZINC001592560294 1167561935 /nfs/dbraw/zinc/56/19/35/1167561935.db2.gz YIORQZDGVDOYCX-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnc3cnccc3c2)n1 ZINC001592560294 1167561940 /nfs/dbraw/zinc/56/19/40/1167561940.db2.gz YIORQZDGVDOYCX-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1ccc([C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001592580231 1167567828 /nfs/dbraw/zinc/56/78/28/1167567828.db2.gz VDXAFOLGQQMHML-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ccc([C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001592580231 1167567834 /nfs/dbraw/zinc/56/78/34/1167567834.db2.gz VDXAFOLGQQMHML-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ccc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)c1 ZINC001592580916 1167570578 /nfs/dbraw/zinc/57/05/78/1167570578.db2.gz SFFMALXCVCTMDR-UHFFFAOYSA-N -1 1 319.350 0.079 20 0 DCADMM Cn1nc2c(c1CNCc1nc(-c3nnn[n-]3)cs1)CCC2 ZINC001592596807 1167575296 /nfs/dbraw/zinc/57/52/96/1167575296.db2.gz CGOKEFQILDGYJR-UHFFFAOYSA-N -1 1 316.394 0.835 20 0 DCADMM Cn1nc2c(c1CNCc1nc(-c3nn[n-]n3)cs1)CCC2 ZINC001592596807 1167575300 /nfs/dbraw/zinc/57/53/00/1167575300.db2.gz CGOKEFQILDGYJR-UHFFFAOYSA-N -1 1 316.394 0.835 20 0 DCADMM Cn1nc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c2ccccc21 ZINC001592592804 1167575770 /nfs/dbraw/zinc/57/57/70/1167575770.db2.gz HLHRXYBOUDWRGJ-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1nc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c2ccccc21 ZINC001592592804 1167575775 /nfs/dbraw/zinc/57/57/75/1167575775.db2.gz HLHRXYBOUDWRGJ-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1nccc1[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001592604972 1167581425 /nfs/dbraw/zinc/58/14/25/1167581425.db2.gz CEYKETDDSBWGEF-ZDUSSCGKSA-N -1 1 312.337 0.573 20 0 DCADMM Cn1nccc1[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001592604972 1167581432 /nfs/dbraw/zinc/58/14/32/1167581432.db2.gz CEYKETDDSBWGEF-ZDUSSCGKSA-N -1 1 312.337 0.573 20 0 DCADMM Cn1nccc1[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001592604971 1167582125 /nfs/dbraw/zinc/58/21/25/1167582125.db2.gz CEYKETDDSBWGEF-CYBMUJFWSA-N -1 1 312.337 0.573 20 0 DCADMM Cn1nccc1[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001592604971 1167582128 /nfs/dbraw/zinc/58/21/28/1167582128.db2.gz CEYKETDDSBWGEF-CYBMUJFWSA-N -1 1 312.337 0.573 20 0 DCADMM FC(F)(F)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001592614838 1167586238 /nfs/dbraw/zinc/58/62/38/1167586238.db2.gz ASTJDGYABTUGDR-QMMMGPOBSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)(F)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001592614838 1167586243 /nfs/dbraw/zinc/58/62/43/1167586243.db2.gz ASTJDGYABTUGDR-QMMMGPOBSA-N -1 1 315.259 0.814 20 0 DCADMM Fc1ccc(Oc2ccc3nnnn3n2)c(-c2nn[n-]n2)n1 ZINC001592652689 1167588599 /nfs/dbraw/zinc/58/85/99/1167588599.db2.gz SKHZOKIOULCRLT-UHFFFAOYSA-N -1 1 300.217 0.026 20 0 DCADMM Fc1cnc(Cl)c(CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001592661184 1167592910 /nfs/dbraw/zinc/59/29/10/1167592910.db2.gz OULXXBIEZBUQFZ-UHFFFAOYSA-N -1 1 306.692 0.878 20 0 DCADMM NC(=O)C12CCC(CC1)N2C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592719038 1167611748 /nfs/dbraw/zinc/61/17/48/1167611748.db2.gz JGFXPODXBUZRLB-UHFFFAOYSA-N -1 1 302.294 0.082 20 0 DCADMM NC(=O)C12CCC(CC1)N2C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592719038 1167611752 /nfs/dbraw/zinc/61/17/52/1167611752.db2.gz JGFXPODXBUZRLB-UHFFFAOYSA-N -1 1 302.294 0.082 20 0 DCADMM NC(=O)C[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001592725957 1167616077 /nfs/dbraw/zinc/61/60/77/1167616077.db2.gz MHHAZEUZKSZEIY-YFKPBYRVSA-N -1 1 313.774 0.678 20 0 DCADMM NC(=O)C[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001592725957 1167616080 /nfs/dbraw/zinc/61/60/80/1167616080.db2.gz MHHAZEUZKSZEIY-YFKPBYRVSA-N -1 1 313.774 0.678 20 0 DCADMM NC(=O)c1coc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001592738059 1167623120 /nfs/dbraw/zinc/62/31/20/1167623120.db2.gz ZATODHTWGBZFSA-UHFFFAOYSA-N -1 1 302.250 0.082 20 0 DCADMM NC(=O)c1coc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592738059 1167623124 /nfs/dbraw/zinc/62/31/24/1167623124.db2.gz ZATODHTWGBZFSA-UHFFFAOYSA-N -1 1 302.250 0.082 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1ccc2c(c1)CCO2 ZINC001592753460 1167632214 /nfs/dbraw/zinc/63/22/14/1167632214.db2.gz RZXLGEWCMBOLJJ-UHFFFAOYSA-N -1 1 311.305 0.463 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2[nH]cnc2c1F ZINC001592753372 1167632387 /nfs/dbraw/zinc/63/23/87/1167632387.db2.gz WQORGGVTFCQGDP-UHFFFAOYSA-N -1 1 313.256 0.349 20 0 DCADMM Nc1ncccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592761809 1167638671 /nfs/dbraw/zinc/63/86/71/1167638671.db2.gz AAMJZWDOMJVDLL-UHFFFAOYSA-N -1 1 311.309 0.561 20 0 DCADMM O=C([C@H]1C[C@H]1F)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592775097 1167642434 /nfs/dbraw/zinc/64/24/34/1167642434.db2.gz VJARAPWHNAQDGC-DTWKUNHWSA-N -1 1 322.369 0.935 20 0 DCADMM O=C(CCCn1cccn1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592841831 1167650234 /nfs/dbraw/zinc/65/02/34/1167650234.db2.gz DZJZEESMCBCRSE-UHFFFAOYSA-N -1 1 318.366 0.616 20 0 DCADMM O=C(CCCn1cccn1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592841831 1167650239 /nfs/dbraw/zinc/65/02/39/1167650239.db2.gz DZJZEESMCBCRSE-UHFFFAOYSA-N -1 1 318.366 0.616 20 0 DCADMM O=C(N[C@H](CCO)c1ccco1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592949519 1167671268 /nfs/dbraw/zinc/67/12/68/1167671268.db2.gz CYVKGHYDHNKYQT-SNVBAGLBSA-N -1 1 314.305 0.708 20 0 DCADMM O=C(N[C@H](CCO)c1ccco1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592949519 1167671276 /nfs/dbraw/zinc/67/12/76/1167671276.db2.gz CYVKGHYDHNKYQT-SNVBAGLBSA-N -1 1 314.305 0.708 20 0 DCADMM O=C(N[C@@H](CO)C1CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592953272 1167672857 /nfs/dbraw/zinc/67/28/57/1167672857.db2.gz DAHKHMXONLKWOS-LBPRGKRZSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H](CO)C1CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592953272 1167672859 /nfs/dbraw/zinc/67/28/59/1167672859.db2.gz DAHKHMXONLKWOS-LBPRGKRZSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H](c1ncon1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001592954937 1167674486 /nfs/dbraw/zinc/67/44/86/1167674486.db2.gz JULSGQCXVRAPBQ-JTQLQIEISA-N -1 1 312.293 0.526 20 0 DCADMM O=C(N[C@H](c1ncon1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592954937 1167674493 /nfs/dbraw/zinc/67/44/93/1167674493.db2.gz JULSGQCXVRAPBQ-JTQLQIEISA-N -1 1 312.293 0.526 20 0 DCADMM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592965290 1167676949 /nfs/dbraw/zinc/67/69/49/1167676949.db2.gz BQRBLBBBFQVYKJ-MNOVXSKESA-N -1 1 300.322 0.295 20 0 DCADMM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592965290 1167676952 /nfs/dbraw/zinc/67/69/52/1167676952.db2.gz BQRBLBBBFQVYKJ-MNOVXSKESA-N -1 1 300.322 0.295 20 0 DCADMM O=C(N[C@H]1CCN(CC(F)F)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592984184 1167679052 /nfs/dbraw/zinc/67/90/52/1167679052.db2.gz FYOCYXGTTXJPDN-QMMMGPOBSA-N -1 1 312.280 0.529 20 0 DCADMM O=C(N[C@H]1CCN(CC(F)F)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592984184 1167679057 /nfs/dbraw/zinc/67/90/57/1167679057.db2.gz FYOCYXGTTXJPDN-QMMMGPOBSA-N -1 1 312.280 0.529 20 0 DCADMM O=C(N[C@H]1CCCn2nccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001592986350 1167681913 /nfs/dbraw/zinc/68/19/13/1167681913.db2.gz XWGXWMHPHNKFTP-VIFPVBQESA-N -1 1 310.321 0.723 20 0 DCADMM O=C(N[C@H]1CCCn2nccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001592986350 1167681919 /nfs/dbraw/zinc/68/19/19/1167681919.db2.gz XWGXWMHPHNKFTP-VIFPVBQESA-N -1 1 310.321 0.723 20 0 DCADMM O=C(NC[C@H](O)c1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593013373 1167687249 /nfs/dbraw/zinc/68/72/49/1167687249.db2.gz BDBYOFULAVETBT-ZDUSSCGKSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(NC[C@H](O)c1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593013373 1167687253 /nfs/dbraw/zinc/68/72/53/1167687253.db2.gz BDBYOFULAVETBT-ZDUSSCGKSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(NCC=CCNc1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001593056110 1167694336 /nfs/dbraw/zinc/69/43/36/1167694336.db2.gz LZZNEUWFKRNDQL-UPHRSURJSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCC=CCNc1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001593056110 1167694340 /nfs/dbraw/zinc/69/43/40/1167694340.db2.gz LZZNEUWFKRNDQL-UPHRSURJSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCN1CCCC1=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593084241 1167699461 /nfs/dbraw/zinc/69/94/61/1167699461.db2.gz IQBJDPVTBFHUPF-UHFFFAOYSA-N -1 1 316.325 0.006 20 0 DCADMM O=C(NCCN1CCCC1=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593084241 1167699467 /nfs/dbraw/zinc/69/94/67/1167699467.db2.gz IQBJDPVTBFHUPF-UHFFFAOYSA-N -1 1 316.325 0.006 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)C1CC2(CC2)C1 ZINC001593095610 1167706845 /nfs/dbraw/zinc/70/68/45/1167706845.db2.gz IKYCUYXKCZIEQR-UHFFFAOYSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)C1CC2(CC2)C1 ZINC001593095610 1167706855 /nfs/dbraw/zinc/70/68/55/1167706855.db2.gz IKYCUYXKCZIEQR-UHFFFAOYSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H](CO)C1CCC1 ZINC001593137578 1167719450 /nfs/dbraw/zinc/71/94/50/1167719450.db2.gz JFLNEODMCIJHFE-JTQLQIEISA-N -1 1 322.394 0.888 20 0 DCADMM O=C(NCc1ccc2nonc2c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593140929 1167721900 /nfs/dbraw/zinc/72/19/00/1167721900.db2.gz NWUWPAZISKTRPL-UHFFFAOYSA-N -1 1 322.288 0.728 20 0 DCADMM O=C(NCc1ccc2nonc2c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593140929 1167721908 /nfs/dbraw/zinc/72/19/08/1167721908.db2.gz NWUWPAZISKTRPL-UHFFFAOYSA-N -1 1 322.288 0.728 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCc2n[nH]cc21 ZINC001593146057 1167723642 /nfs/dbraw/zinc/72/36/42/1167723642.db2.gz HIUIGSQARLFREO-SNVBAGLBSA-N -1 1 324.348 0.721 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc[nH]c1=S ZINC001593152091 1167727969 /nfs/dbraw/zinc/72/79/69/1167727969.db2.gz WEPIGTZYTBBGJN-UHFFFAOYSA-N -1 1 319.375 0.937 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc[nH]c1=S ZINC001593152091 1167727976 /nfs/dbraw/zinc/72/79/76/1167727976.db2.gz WEPIGTZYTBBGJN-UHFFFAOYSA-N -1 1 319.375 0.937 20 0 DCADMM O=C(NOCCN1CCCC1=O)c1csc(-c2nn[n-]n2)c1 ZINC001593168734 1167730802 /nfs/dbraw/zinc/73/08/02/1167730802.db2.gz AWXYJWBLDMHUOG-UHFFFAOYSA-N -1 1 322.350 0.212 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(C2CC2)[nH]c1=O ZINC001593198050 1167736332 /nfs/dbraw/zinc/73/63/32/1167736332.db2.gz UHNHIOMZXTXBII-UHFFFAOYSA-N -1 1 312.293 0.820 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(C2CC2)[nH]c1=O ZINC001593198050 1167736341 /nfs/dbraw/zinc/73/63/41/1167736341.db2.gz UHNHIOMZXTXBII-UHFFFAOYSA-N -1 1 312.293 0.820 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H](CO)CC1CCC1 ZINC001593243809 1167744068 /nfs/dbraw/zinc/74/40/68/1167744068.db2.gz ICAQOJYZFFOSNX-JTQLQIEISA-N -1 1 317.353 0.934 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H](CO)CC1CCC1 ZINC001593243809 1167744076 /nfs/dbraw/zinc/74/40/76/1167744076.db2.gz ICAQOJYZFFOSNX-JTQLQIEISA-N -1 1 317.353 0.934 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC001593243026 1167744150 /nfs/dbraw/zinc/74/41/50/1167744150.db2.gz HETZJSUASJRIGX-IUCAKERBSA-N -1 1 313.321 0.069 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC001593243026 1167744154 /nfs/dbraw/zinc/74/41/54/1167744154.db2.gz HETZJSUASJRIGX-IUCAKERBSA-N -1 1 313.321 0.069 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H](O)C12CCC2 ZINC001593244094 1167744664 /nfs/dbraw/zinc/74/46/64/1167744664.db2.gz KWLPGXGQRLTLSZ-ZJUUUORDSA-N -1 1 315.337 0.687 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H](O)C12CCC2 ZINC001593244094 1167744673 /nfs/dbraw/zinc/74/46/73/1167744673.db2.gz KWLPGXGQRLTLSZ-ZJUUUORDSA-N -1 1 315.337 0.687 20 0 DCADMM O=C(Nc1ccnc2ccnn21)c1ccnc(-c2nnn[n-]2)c1 ZINC001593255536 1167746279 /nfs/dbraw/zinc/74/62/79/1167746279.db2.gz OMHQKVCNUSMTNY-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1ccnc2ccnn21)c1ccnc(-c2nn[n-]n2)c1 ZINC001593255536 1167746285 /nfs/dbraw/zinc/74/62/85/1167746285.db2.gz OMHQKVCNUSMTNY-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H](O)CC1 ZINC001593255122 1167747228 /nfs/dbraw/zinc/74/72/28/1167747228.db2.gz DBKWYJVWNJRSMY-JTQLQIEISA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H](O)CC1 ZINC001593255122 1167747237 /nfs/dbraw/zinc/74/72/37/1167747237.db2.gz DBKWYJVWNJRSMY-JTQLQIEISA-N -1 1 303.326 0.640 20 0 DCADMM O=C(OCCN1CCCC1=O)c1sccc1-c1nn[n-]n1 ZINC001593290420 1167760135 /nfs/dbraw/zinc/76/01/35/1167760135.db2.gz QKPWSWJVARSRQN-UHFFFAOYSA-N -1 1 307.335 0.707 20 0 DCADMM O=C(OCCN1CCCCC1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593290409 1167762166 /nfs/dbraw/zinc/76/21/66/1167762166.db2.gz QDHRTJMLYPDHEA-UHFFFAOYSA-N -1 1 305.294 0.629 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)C1(CO)CCOCC1 ZINC001593299435 1167764962 /nfs/dbraw/zinc/76/49/62/1167764962.db2.gz VAGXNQZSGPBUCI-UHFFFAOYSA-N -1 1 324.362 0.761 20 0 DCADMM O=C(OCc1ncnn1CCF)c1ccsc1-c1nnn[n-]1 ZINC001593306056 1167766278 /nfs/dbraw/zinc/76/62/78/1167766278.db2.gz GGDHGYRCFSHVIX-UHFFFAOYSA-N -1 1 323.313 0.846 20 0 DCADMM O=C(OCc1ncnn1CCF)c1ccsc1-c1nn[n-]n1 ZINC001593306056 1167766284 /nfs/dbraw/zinc/76/62/84/1167766284.db2.gz GGDHGYRCFSHVIX-UHFFFAOYSA-N -1 1 323.313 0.846 20 0 DCADMM O=C(OCc1nncn1C1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593305808 1167767218 /nfs/dbraw/zinc/76/72/18/1167767218.db2.gz DAEJZISEIKTUJJ-UHFFFAOYSA-N -1 1 312.293 0.545 20 0 DCADMM O=C(OCc1nncn1C1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593305808 1167767221 /nfs/dbraw/zinc/76/72/21/1167767221.db2.gz DAEJZISEIKTUJJ-UHFFFAOYSA-N -1 1 312.293 0.545 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCN(CC(F)F)CC1 ZINC001593348723 1167785432 /nfs/dbraw/zinc/78/54/32/1167785432.db2.gz NJTPWJSRKTYOMK-UHFFFAOYSA-N -1 1 323.307 0.285 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCN(CC(F)F)CC1 ZINC001593348723 1167785440 /nfs/dbraw/zinc/78/54/40/1167785440.db2.gz NJTPWJSRKTYOMK-UHFFFAOYSA-N -1 1 323.307 0.285 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCO[C@]2(CCSC2)C1 ZINC001593369902 1167787898 /nfs/dbraw/zinc/78/78/98/1167787898.db2.gz QUWNXLPGKCOVPV-CYBMUJFWSA-N -1 1 321.362 0.808 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCO[C@]2(CCSC2)C1 ZINC001593369902 1167787904 /nfs/dbraw/zinc/78/79/04/1167787904.db2.gz QUWNXLPGKCOVPV-CYBMUJFWSA-N -1 1 321.362 0.808 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H](N2CCCC2=O)C1 ZINC001593367588 1167788440 /nfs/dbraw/zinc/78/84/40/1167788440.db2.gz MPLBUYJDIBIWAM-JTQLQIEISA-N -1 1 316.321 0.297 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H](N2CCCC2=O)C1 ZINC001593367588 1167788444 /nfs/dbraw/zinc/78/84/44/1167788444.db2.gz MPLBUYJDIBIWAM-JTQLQIEISA-N -1 1 316.321 0.297 20 0 DCADMM O=C1C[C@@H]([C@H]2CCCCN2c2cc(-c3nnn[n-]3)ncn2)CN1 ZINC001593383522 1167793071 /nfs/dbraw/zinc/79/30/71/1167793071.db2.gz XOXQUVQYMYHYMM-MWLCHTKSSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1C[C@@H]([C@H]2CCCCN2c2cc(-c3nn[n-]n3)ncn2)CN1 ZINC001593383522 1167793072 /nfs/dbraw/zinc/79/30/72/1167793072.db2.gz XOXQUVQYMYHYMM-MWLCHTKSSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@H]1CCC(=O)N1 ZINC001593388203 1167798915 /nfs/dbraw/zinc/79/89/15/1167798915.db2.gz MNSVZCCHFQFJCV-SECBINFHSA-N -1 1 322.275 0.040 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@H]1CCC(=O)N1 ZINC001593388203 1167798922 /nfs/dbraw/zinc/79/89/22/1167798922.db2.gz MNSVZCCHFQFJCV-SECBINFHSA-N -1 1 322.275 0.040 20 0 DCADMM O=C1NCCC[C@@H]1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593408884 1167823244 /nfs/dbraw/zinc/82/32/44/1167823244.db2.gz PODDSTIBTCIGMA-SSDOTTSWSA-N -1 1 307.745 0.853 20 0 DCADMM O=C1NCCC[C@@H]1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593408884 1167823249 /nfs/dbraw/zinc/82/32/49/1167823249.db2.gz PODDSTIBTCIGMA-SSDOTTSWSA-N -1 1 307.745 0.853 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001593413283 1167827748 /nfs/dbraw/zinc/82/77/48/1167827748.db2.gz PBFQDOSOWDNMMG-RNFRBKRXSA-N -1 1 305.319 0.173 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001593413283 1167827758 /nfs/dbraw/zinc/82/77/58/1167827758.db2.gz PBFQDOSOWDNMMG-RNFRBKRXSA-N -1 1 305.319 0.173 20 0 DCADMM O=S(=O)(CCNc1cccnc1-c1nnn[n-]1)CC1CC1 ZINC001593419717 1167834827 /nfs/dbraw/zinc/83/48/27/1167834827.db2.gz OQQFVJXAWWZBQQ-UHFFFAOYSA-N -1 1 308.367 0.498 20 0 DCADMM O=S(=O)(CCNc1cccnc1-c1nn[n-]n1)CC1CC1 ZINC001593419717 1167834841 /nfs/dbraw/zinc/83/48/41/1167834841.db2.gz OQQFVJXAWWZBQQ-UHFFFAOYSA-N -1 1 308.367 0.498 20 0 DCADMM O=S1(=O)C[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001593461095 1167848663 /nfs/dbraw/zinc/84/86/63/1167848663.db2.gz QWHOKAWPPSHARL-VHSXEESVSA-N -1 1 320.378 0.133 20 0 DCADMM O=S1(=O)C[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001593461095 1167848673 /nfs/dbraw/zinc/84/86/73/1167848673.db2.gz QWHOKAWPPSHARL-VHSXEESVSA-N -1 1 320.378 0.133 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCOCC2(CCC2)C1 ZINC001593492834 1167875041 /nfs/dbraw/zinc/87/50/41/1167875041.db2.gz PVEOELRBKHQVRE-UHFFFAOYSA-N -1 1 316.365 0.488 20 0 DCADMM O=c1c(-c2nn[n-]n2)cc(CN2CCOCC2)cn1CC1CC1 ZINC001593490559 1167877500 /nfs/dbraw/zinc/87/75/00/1167877500.db2.gz JSTKQTKBYAGHQH-UHFFFAOYSA-N -1 1 316.365 0.271 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cc(=O)n2ccccc2n1 ZINC001593494761 1167879446 /nfs/dbraw/zinc/87/94/46/1167879446.db2.gz VYXDQYRZFALURK-UHFFFAOYSA-N -1 1 321.300 0.085 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1noc(C2CCC2)n1 ZINC001593495735 1167880321 /nfs/dbraw/zinc/88/03/21/1167880321.db2.gz SLQMALIZMCYSDT-UHFFFAOYSA-N -1 1 300.282 0.122 20 0 DCADMM O[C@@H]([C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001593498615 1167882140 /nfs/dbraw/zinc/88/21/40/1167882140.db2.gz QHUHTORJNVLEJT-MUWHJKNJSA-N -1 1 315.259 0.406 20 0 DCADMM O[C@@H]([C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001593498615 1167882147 /nfs/dbraw/zinc/88/21/47/1167882147.db2.gz QHUHTORJNVLEJT-MUWHJKNJSA-N -1 1 315.259 0.406 20 0 DCADMM O[C@H](CNc1ncncc1-c1nn[n-]n1)c1ccccc1F ZINC001593506262 1167886215 /nfs/dbraw/zinc/88/62/15/1167886215.db2.gz IDQSTFLJAPTUQK-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@@H]1F ZINC001593518519 1167891644 /nfs/dbraw/zinc/89/16/44/1167891644.db2.gz ASXOANIXCDTCAB-GXSJLCMTSA-N -1 1 315.312 0.719 20 0 DCADMM O[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@@H]1F ZINC001593518519 1167891648 /nfs/dbraw/zinc/89/16/48/1167891648.db2.gz ASXOANIXCDTCAB-GXSJLCMTSA-N -1 1 315.312 0.719 20 0 DCADMM O[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]2CCCC[C@H]12 ZINC001593519031 1167892692 /nfs/dbraw/zinc/89/26/92/1167892692.db2.gz HYZWDPVYIDDWOE-MVWJERBFSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]2CCCC[C@H]12 ZINC001593519031 1167892697 /nfs/dbraw/zinc/89/26/97/1167892697.db2.gz HYZWDPVYIDDWOE-MVWJERBFSA-N -1 1 301.354 0.787 20 0 DCADMM c1c(SCCc2nn[nH]n2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543472 1167925339 /nfs/dbraw/zinc/92/53/39/1167925339.db2.gz QGUWJSCCPQIQKC-UHFFFAOYSA-N -1 1 316.354 0.382 20 0 DCADMM c1cn(-c2cccc(Nc3ccnc(-c4nn[n-]n4)n3)c2)nn1 ZINC001593561408 1167940207 /nfs/dbraw/zinc/94/02/07/1167940207.db2.gz KSEIIJPWLXGMLL-UHFFFAOYSA-N -1 1 306.293 0.403 20 0 DCADMM c1cnc(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC001593583701 1167950926 /nfs/dbraw/zinc/95/09/26/1167950926.db2.gz MGHXKQISAPCVGK-UHFFFAOYSA-N -1 1 309.337 0.831 20 0 DCADMM c1cnc(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)nc1 ZINC001593583701 1167950933 /nfs/dbraw/zinc/95/09/33/1167950933.db2.gz MGHXKQISAPCVGK-UHFFFAOYSA-N -1 1 309.337 0.831 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CCOC[C@H](C3CCC3)C2)n1 ZINC001593591555 1167954773 /nfs/dbraw/zinc/95/47/73/1167954773.db2.gz NDMCLPQJTQBOIU-LLVKDONJSA-N -1 1 301.354 0.910 20 0 DCADMM c1ncc(-c2nnn[n-]2)nc1NC[C@@H]1COC2(CCCC2)O1 ZINC001593594953 1167955895 /nfs/dbraw/zinc/95/58/95/1167955895.db2.gz KCEAYCVCLQHVLG-SECBINFHSA-N -1 1 303.326 0.754 20 0 DCADMM c1ncc(-c2nn[n-]n2)nc1NC[C@@H]1COC2(CCCC2)O1 ZINC001593594953 1167955900 /nfs/dbraw/zinc/95/59/00/1167955900.db2.gz KCEAYCVCLQHVLG-SECBINFHSA-N -1 1 303.326 0.754 20 0 DCADMM c1c(CCNc2ncncc2-c2nn[n-]n2)nc2n1CCS2 ZINC001593594504 1167956405 /nfs/dbraw/zinc/95/64/05/1167956405.db2.gz CWMIALBIDBIAAW-UHFFFAOYSA-N -1 1 315.366 0.614 20 0 DCADMM c1nn(C[C@@H]2CCCO2)cc1Nc1ncncc1-c1nn[n-]n1 ZINC001593595137 1167956777 /nfs/dbraw/zinc/95/67/77/1167956777.db2.gz NYRIALDDNYUPJH-JTQLQIEISA-N -1 1 313.325 0.776 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599863129 1168073703 /nfs/dbraw/zinc/07/37/03/1168073703.db2.gz OWJWTKLLMKZTCL-SKDRFNHKSA-N -1 1 316.317 0.786 20 0 DCADMM Cc1c(NC(=O)C(=O)N2C[C@@H](C)NC[C@H]2C)cccc1C(=O)[O-] ZINC001600024124 1168099112 /nfs/dbraw/zinc/09/91/12/1168099112.db2.gz CUZUPYAMLWLNMX-NXEZZACHSA-N -1 1 319.361 0.841 20 0 DCADMM Cc1c(F)ccc(N)c1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600021683 1168100125 /nfs/dbraw/zinc/10/01/25/1168100125.db2.gz NCOHZIZLUSWRJK-LLVKDONJSA-N -1 1 306.297 0.865 20 0 DCADMM Cc1c(NC(=O)[C@@H]2CCCc3n[nH]nc32)cnn1CC(=O)[O-] ZINC001600032471 1168106173 /nfs/dbraw/zinc/10/61/73/1168106173.db2.gz NLNJNBMCYSNVKG-MRVPVSSYSA-N -1 1 304.310 0.453 20 0 DCADMM Cc1cc(C(=O)N(C)[C@@H](C)CNc2ccnc(C(=O)[O-])n2)n[nH]1 ZINC001600076954 1168112498 /nfs/dbraw/zinc/11/24/98/1168112498.db2.gz AZWGTDVURXQLTG-VIFPVBQESA-N -1 1 318.337 0.201 20 0 DCADMM Cc1cc(C(=O)N2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n[nH]1 ZINC001600080783 1168113302 /nfs/dbraw/zinc/11/33/02/1168113302.db2.gz USRAOAMYLDLFQE-QWRGUYRKSA-N -1 1 320.349 0.160 20 0 DCADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc(=O)[nH]1 ZINC001600084399 1168115172 /nfs/dbraw/zinc/11/51/72/1168115172.db2.gz HHXVLKNXTKZTQQ-LLVKDONJSA-N -1 1 307.350 0.717 20 0 DCADMM Cc1cc(C[C@@H](C)NS(=O)(=O)C2(C(=O)[O-])CCC2)n[nH]1 ZINC001600188209 1168133567 /nfs/dbraw/zinc/13/35/67/1168133567.db2.gz CJXNRRVCGQPTQX-SECBINFHSA-N -1 1 301.368 0.576 20 0 DCADMM Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])n[nH]1 ZINC001600189281 1168134260 /nfs/dbraw/zinc/13/42/60/1168134260.db2.gz MAJUZWHQENWVSQ-CABZTGNLSA-N -1 1 322.365 0.231 20 0 DCADMM Cc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(=O)[O-])ncn1 ZINC001600196887 1168136477 /nfs/dbraw/zinc/13/64/77/1168136477.db2.gz YKFFVPMKHSXWML-MEBFFEOJSA-N -1 1 316.361 0.052 20 0 DCADMM Cc1cc(NC(=O)C(=O)N(C)CC2CN(C)C2)ccc1C(=O)[O-] ZINC001600241742 1168143852 /nfs/dbraw/zinc/14/38/52/1168143852.db2.gz MJXYVUFUJADYGL-UHFFFAOYSA-N -1 1 319.361 0.652 20 0 DCADMM Cc1cc(N2CCN(C3CC3)CC2)n2nc(C(=O)[O-])nc2n1 ZINC001600241190 1168144526 /nfs/dbraw/zinc/14/45/26/1168144526.db2.gz YIWUVBULXACCAQ-UHFFFAOYSA-N -1 1 302.338 0.415 20 0 DCADMM Cc1cc(NC(=O)C(=O)N2CCNC(C)(C)C2)c(C(=O)[O-])[nH]1 ZINC001600245691 1168146802 /nfs/dbraw/zinc/14/68/02/1168146802.db2.gz SWKULRKQPYTKDQ-UHFFFAOYSA-N -1 1 308.338 0.170 20 0 DCADMM Cc1ccc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])nc1 ZINC001600331343 1168166365 /nfs/dbraw/zinc/16/63/65/1168166365.db2.gz VNLBXJPTJXMLIK-UHFFFAOYSA-N -1 1 320.393 0.164 20 0 DCADMM Cc1ccc(NC(=O)C(=O)NCCN2CCCC2)c(C(=O)[O-])c1 ZINC001600442302 1168185397 /nfs/dbraw/zinc/18/53/97/1168185397.db2.gz VFHWKFJPMVZABC-UHFFFAOYSA-N -1 1 319.361 0.844 20 0 DCADMM Cc1cccc(C[C@@H](CNC(=O)[C@@]2(C)CNCCO2)C(=O)[O-])c1 ZINC001600528096 1168196222 /nfs/dbraw/zinc/19/62/22/1168196222.db2.gz TUCLLVZHRDZDOF-WMLDXEAASA-N -1 1 320.389 0.733 20 0 DCADMM Cc1ccccc1CCNC(=O)CN1CCN(CC(=O)[O-])CC1 ZINC001600579446 1168202819 /nfs/dbraw/zinc/20/28/19/1168202819.db2.gz BSPHSAOGDJTLJZ-UHFFFAOYSA-N -1 1 319.405 0.356 20 0 DCADMM Cc1ccccc1CNC(=O)[C@H](C)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600581484 1168203118 /nfs/dbraw/zinc/20/31/18/1168203118.db2.gz YJGCTURDOGZDFG-QEJZJMRPSA-N -1 1 320.389 0.767 20 0 DCADMM Cc1cnccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001600631627 1168222404 /nfs/dbraw/zinc/22/24/04/1168222404.db2.gz LRWYLYPDGBVQHM-LBPRGKRZSA-N -1 1 306.366 0.825 20 0 DCADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600668210 1168238634 /nfs/dbraw/zinc/23/86/34/1168238634.db2.gz AJLSTZFBOCUAEC-CPCISQLKSA-N -1 1 305.338 0.665 20 0 DCADMM Cc1nnc(SCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])[nH]1 ZINC001600674605 1168243639 /nfs/dbraw/zinc/24/36/39/1168243639.db2.gz GPLHSKNJSMLNCM-ATZCPNFKSA-N -1 1 310.379 0.917 20 0 DCADMM Cc1n[nH]c(SCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])n1 ZINC001600674605 1168243655 /nfs/dbraw/zinc/24/36/55/1168243655.db2.gz GPLHSKNJSMLNCM-ATZCPNFKSA-N -1 1 310.379 0.917 20 0 DCADMM Cc1nn[nH]c1C(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001600675574 1168245179 /nfs/dbraw/zinc/24/51/79/1168245179.db2.gz HAYWAAFHNDJRAK-LBPRGKRZSA-N -1 1 302.290 0.774 20 0 DCADMM Cc1ncc(C(=O)N(C)CCCNc2ccnc(C(=O)[O-])n2)[nH]1 ZINC001600683152 1168247546 /nfs/dbraw/zinc/24/75/46/1168247546.db2.gz JDBLUEIVMVDICF-UHFFFAOYSA-N -1 1 318.337 0.202 20 0 DCADMM Cc1nc2scc(C3CC3)n2c1CNCC(=O)NCC(=O)[O-] ZINC001600731011 1168263733 /nfs/dbraw/zinc/26/37/33/1168263733.db2.gz CVSHXRRIMOVGPQ-UHFFFAOYSA-N -1 1 322.390 0.872 20 0 DCADMM Cc1oc(CNC(=O)C(=O)N2CCNC(C)(C)C2)cc1C(=O)[O-] ZINC001600846526 1168484794 /nfs/dbraw/zinc/48/47/94/1168484794.db2.gz UMHZOFWSQLCECB-UHFFFAOYSA-N -1 1 323.349 0.113 20 0 DCADMM Cc1oc(S(=O)(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1C(=O)[O-] ZINC001600856985 1168487099 /nfs/dbraw/zinc/48/70/99/1168487099.db2.gz GQLJLQHTIOXXMP-GXSJLCMTSA-N -1 1 314.363 0.611 20 0 DCADMM CN1CC(C(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])=NC1=O ZINC001600930532 1168513689 /nfs/dbraw/zinc/51/36/89/1168513689.db2.gz ZEZPIJDZJJYNNZ-JTQLQIEISA-N -1 1 319.317 0.505 20 0 DCADMM Cn1cc(C[NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)cc1C(=O)[O-] ZINC001600954116 1168530577 /nfs/dbraw/zinc/53/05/77/1168530577.db2.gz FKLSKZVQIJDPFW-NSHDSACASA-N -1 1 305.338 0.983 20 0 DCADMM Cn1cc(CN[C@H]2CCN(C3CCOCC3)C2=O)cc1C(=O)[O-] ZINC001600955621 1168530771 /nfs/dbraw/zinc/53/07/71/1168530771.db2.gz QBZPCMQYKIOVOE-ZDUSSCGKSA-N -1 1 321.377 0.593 20 0 DCADMM Cn1nc(C(=O)[O-])cc1NC(=O)c1cccc2nc(CO)[nH]c21 ZINC001601006264 1168558973 /nfs/dbraw/zinc/55/89/73/1168558973.db2.gz DJTWMETUSBDKTG-UHFFFAOYSA-N -1 1 315.289 0.739 20 0 DCADMM Cn1ncc(Br)c1CC(=O)NOCCCC(=O)[O-] ZINC001601019732 1168567543 /nfs/dbraw/zinc/56/75/43/1168567543.db2.gz ORINMFAKGPJMSL-UHFFFAOYSA-N -1 1 320.143 0.638 20 0 DCADMM Cn1ncc2cc(CN3CCC([C@H](O)C(=O)[O-])CC3)cnc21 ZINC001601032884 1168573584 /nfs/dbraw/zinc/57/35/84/1168573584.db2.gz QZVUPTGJWPKGNB-ZDUSSCGKSA-N -1 1 304.350 0.626 20 0 DCADMM NS(=O)(=O)CCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001601193615 1168652616 /nfs/dbraw/zinc/65/26/16/1168652616.db2.gz GXZBEGWZRIDCSS-UHFFFAOYSA-N -1 1 316.354 0.561 20 0 DCADMM O=C([O-])[C@@H](CNC(=O)C[C@@H]1COCCN1)c1ccc(F)cc1 ZINC001601257910 1168680644 /nfs/dbraw/zinc/68/06/44/1168680644.db2.gz REQSHULDXGEKQC-OLZOCXBDSA-N -1 1 310.325 0.489 20 0 DCADMM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCC[N@H+]1CCCOCC1 ZINC001601284724 1168690144 /nfs/dbraw/zinc/69/01/44/1168690144.db2.gz VMUIUVOSGWHIDU-QWHCGFSZSA-N -1 1 314.382 0.095 20 0 DCADMM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)NCCN1CCCOCC1 ZINC001601284724 1168690149 /nfs/dbraw/zinc/69/01/49/1168690149.db2.gz VMUIUVOSGWHIDU-QWHCGFSZSA-N -1 1 314.382 0.095 20 0 DCADMM O=C([O-])[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC001601313993 1168702919 /nfs/dbraw/zinc/70/29/19/1168702919.db2.gz SITSZZZWNKMCTK-GXTWGEPZSA-N -1 1 308.334 0.144 20 0 DCADMM O=C([O-])[C@H]1[C@@H](O)CCC[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC001601313993 1168702928 /nfs/dbraw/zinc/70/29/28/1168702928.db2.gz SITSZZZWNKMCTK-GXTWGEPZSA-N -1 1 308.334 0.144 20 0 DCADMM O=C([O-])c1ccc(CC(=O)N[C@@H]2CCc3[nH]cnc3C2)cn1 ZINC001601358282 1168717978 /nfs/dbraw/zinc/71/79/78/1168717978.db2.gz QTJWMIBVXIQOBK-SNVBAGLBSA-N -1 1 300.318 0.719 20 0 DCADMM O=C([O-])[C@]1(N2CCN(C(=O)Cc3ccccc3)CC2)CCOC1 ZINC001601368039 1168721558 /nfs/dbraw/zinc/72/15/58/1168721558.db2.gz SULFEWMGNOVATP-KRWDZBQOSA-N -1 1 318.373 0.617 20 0 DCADMM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1[nH]nc2c1CCCCC2 ZINC001601427865 1168743819 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DCADMM CC(C)[C@@H]1CNCCN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001603759122 1169380483 /nfs/dbraw/zinc/38/04/83/1169380483.db2.gz DOTIKCHPMSYRSF-NSHDSACASA-N -1 1 315.395 0.342 20 0 DCADMM CC(C)[C@@H]1CNCCN1S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001603759737 1169380727 /nfs/dbraw/zinc/38/07/27/1169380727.db2.gz PZNKVBYTZDRPDQ-LBPRGKRZSA-N -1 1 313.379 0.398 20 0 DCADMM CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CCN1 ZINC001603760032 1169380901 /nfs/dbraw/zinc/38/09/01/1169380901.db2.gz WXZJPNKCYNDSRN-GFCCVEGCSA-N -1 1 313.379 0.398 20 0 DCADMM CC(C)[C@@H]1CNCCN1S(=O)(=O)c1occc1C(=O)[O-] ZINC001603759100 1169381284 /nfs/dbraw/zinc/38/12/84/1169381284.db2.gz DANXSJCLYLNJCL-JTQLQIEISA-N -1 1 302.352 0.596 20 0 DCADMM CC1(C)C[C@@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CO1 ZINC001603763619 1169382311 /nfs/dbraw/zinc/38/23/11/1169382311.db2.gz CZUQUDMZUVMUQQ-SECBINFHSA-N -1 1 303.326 0.951 20 0 DCADMM CC1(C)C[C@@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CO1 ZINC001603763619 1169382320 /nfs/dbraw/zinc/38/23/20/1169382320.db2.gz CZUQUDMZUVMUQQ-SECBINFHSA-N -1 1 303.326 0.951 20 0 DCADMM CC(C)C[C@H](C)N(C)C(=O)CN1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001603768837 1169384356 /nfs/dbraw/zinc/38/43/56/1169384356.db2.gz UPXVLNSGEDSAHE-AVGNSLFASA-N -1 1 300.399 0.647 20 0 DCADMM CC1(C)CO[C@@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603791305 1169391274 /nfs/dbraw/zinc/39/12/74/1169391274.db2.gz GZKWUUVFVCYSOJ-LLVKDONJSA-N -1 1 316.365 0.736 20 0 DCADMM CC1(C)CO[C@@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603791305 1169391280 /nfs/dbraw/zinc/39/12/80/1169391280.db2.gz GZKWUUVFVCYSOJ-LLVKDONJSA-N -1 1 316.365 0.736 20 0 DCADMM CC1(C)COCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603791226 1169392343 /nfs/dbraw/zinc/39/23/43/1169392343.db2.gz GBDUWPHWGQUVJX-UHFFFAOYSA-N -1 1 315.380 0.685 20 0 DCADMM CC1(C)COCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603791226 1169392348 /nfs/dbraw/zinc/39/23/48/1169392348.db2.gz GBDUWPHWGQUVJX-UHFFFAOYSA-N -1 1 315.380 0.685 20 0 DCADMM CC1(C)OCC[C@@H]1CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603794951 1169394050 /nfs/dbraw/zinc/39/40/50/1169394050.db2.gz QKNPQUZPBOOYCK-LLVKDONJSA-N -1 1 316.365 0.736 20 0 DCADMM CC1(C)OCC[C@@H]1CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603794951 1169394061 /nfs/dbraw/zinc/39/40/61/1169394061.db2.gz QKNPQUZPBOOYCK-LLVKDONJSA-N -1 1 316.365 0.736 20 0 DCADMM CC(C)CN(CCC(=O)[O-])C(=O)CN1CCC(CO)CC1 ZINC001603809246 1169401039 /nfs/dbraw/zinc/40/10/39/1169401039.db2.gz ODNWVSCCDBIRKD-UHFFFAOYSA-N -1 1 300.399 0.650 20 0 DCADMM CC(C)CN1CCO[C@H](CNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001603815971 1169401962 /nfs/dbraw/zinc/40/19/62/1169401962.db2.gz HLGKSQIKJKHCPF-JHJVBQTASA-N -1 1 313.398 0.363 20 0 DCADMM CC1(O)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001603820857 1169403766 /nfs/dbraw/zinc/40/37/66/1169403766.db2.gz XMQPOAURDXNHOB-UHFFFAOYSA-N -1 1 303.326 0.640 20 0 DCADMM CC1(O)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001603820857 1169403780 /nfs/dbraw/zinc/40/37/80/1169403780.db2.gz 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316.369 0.565 20 0 DCADMM CCC(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001603969404 1169456912 /nfs/dbraw/zinc/45/69/12/1169456912.db2.gz QYEFEBUJYMJNLL-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001603969404 1169456920 /nfs/dbraw/zinc/45/69/20/1169456920.db2.gz QYEFEBUJYMJNLL-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001603969069 1169457775 /nfs/dbraw/zinc/45/77/75/1169457775.db2.gz LWYPJKZBPWSVPZ-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001603969069 1169457776 /nfs/dbraw/zinc/45/77/76/1169457776.db2.gz LWYPJKZBPWSVPZ-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CC[C@](C)(O)CNc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001603987164 1169463995 /nfs/dbraw/zinc/46/39/95/1169463995.db2.gz LUZSKOLXRQBBAM-ZDUSSCGKSA-N -1 1 306.326 0.621 20 0 DCADMM CC[C@](C)(O)CNc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001603987164 1169463997 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320.422 0.993 20 0 DCADMM CCCC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001604126275 1169500931 /nfs/dbraw/zinc/50/09/31/1169500931.db2.gz IWEONQKGWSHHKD-DTWKUNHWSA-N -1 1 304.358 0.762 20 0 DCADMM CCCC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001604126275 1169500935 /nfs/dbraw/zinc/50/09/35/1169500935.db2.gz IWEONQKGWSHHKD-DTWKUNHWSA-N -1 1 304.358 0.762 20 0 DCADMM C[C@H](C[C@H](O)c1ccccc1)NCc1cn(CC(=O)[O-])nn1 ZINC001604132535 1169501444 /nfs/dbraw/zinc/50/14/44/1169501444.db2.gz QZJDRKMQOWWEGJ-RISCZKNCSA-N -1 1 304.350 0.965 20 0 DCADMM C[C@H](CN1CCOCC1)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001604167736 1169511410 /nfs/dbraw/zinc/51/14/10/1169511410.db2.gz QYGDSIAQMXKMFD-TZMCWYRMSA-N -1 1 321.377 0.162 20 0 DCADMM CCCCNC(=O)NC(=O)COc1cccnc1-c1nnn[n-]1 ZINC001604183077 1169515226 /nfs/dbraw/zinc/51/52/26/1169515226.db2.gz BROUOFHKLIRRBK-UHFFFAOYSA-N -1 1 319.325 0.266 20 0 DCADMM CCCCNC(=O)NC(=O)COc1cccnc1-c1nn[n-]n1 ZINC001604183077 1169515230 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CCCN1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC001604220928 1169528744 /nfs/dbraw/zinc/52/87/44/1169528744.db2.gz SNSXAXPUUAJDCD-SECBINFHSA-N -1 1 302.342 0.327 20 0 DCADMM CCC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)OC ZINC001604238354 1169530402 /nfs/dbraw/zinc/53/04/02/1169530402.db2.gz NYCTYQKGOPSFKE-JTQLQIEISA-N -1 1 304.310 0.333 20 0 DCADMM CCC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)OC ZINC001604238354 1169530405 /nfs/dbraw/zinc/53/04/05/1169530405.db2.gz NYCTYQKGOPSFKE-JTQLQIEISA-N -1 1 304.310 0.333 20 0 DCADMM C[C@](Cn1cccn1)(NC(=O)c1ccc2[nH]nnc2c1)C(=O)[O-] ZINC001604243741 1169531427 /nfs/dbraw/zinc/53/14/27/1169531427.db2.gz HKFWUVUJQFNYLL-CQSZACIVSA-N -1 1 314.305 0.428 20 0 DCADMM CCN(C)C(=O)[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)C(C)C ZINC001604270418 1169540737 /nfs/dbraw/zinc/54/07/37/1169540737.db2.gz DAILGQSBJQJIJG-NSHDSACASA-N -1 1 304.358 0.572 20 0 DCADMM CCN(C)C(=O)[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)C(C)C ZINC001604270418 1169540749 /nfs/dbraw/zinc/54/07/49/1169540749.db2.gz 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NKSUVGFMJVMREV-QWRGUYRKSA-N -1 1 324.333 0.415 20 0 DCADMM O=C(CN1CCSC1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001606550881 1170231782 /nfs/dbraw/zinc/23/17/82/1170231782.db2.gz LFPGBRQWJXZXEO-UHFFFAOYSA-N -1 1 311.352 0.431 20 0 DCADMM O=C(CN1CCSC1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001606550881 1170231784 /nfs/dbraw/zinc/23/17/84/1170231784.db2.gz LFPGBRQWJXZXEO-UHFFFAOYSA-N -1 1 311.352 0.431 20 0 DCADMM O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cccc3nn[nH]c31)C2 ZINC001606553509 1170233103 /nfs/dbraw/zinc/23/31/03/1170233103.db2.gz QVNLIRWHYFDRHQ-XLKFXECMSA-N -1 1 302.290 0.131 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](CCO)C1 ZINC001606594264 1170239124 /nfs/dbraw/zinc/23/91/24/1170239124.db2.gz GUFPCYAHTYKRDL-LLVKDONJSA-N -1 1 316.365 0.425 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](CCO)C1 ZINC001606594264 1170239128 /nfs/dbraw/zinc/23/91/28/1170239128.db2.gz GUFPCYAHTYKRDL-LLVKDONJSA-N -1 1 316.365 0.425 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCC[C@@H]1CO ZINC001606596668 1170239870 /nfs/dbraw/zinc/23/98/70/1170239870.db2.gz SOZYPDQLBULQRU-GHMZBOCLSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCC[C@@H]1CO ZINC001606596668 1170239875 /nfs/dbraw/zinc/23/98/75/1170239875.db2.gz SOZYPDQLBULQRU-GHMZBOCLSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC(=O)C1CCC1 ZINC001606596537 1170239920 /nfs/dbraw/zinc/23/99/20/1170239920.db2.gz PQULLFNZCLMZEH-UHFFFAOYSA-N -1 1 301.306 0.717 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC(=O)C1CCC1 ZINC001606596537 1170239936 /nfs/dbraw/zinc/23/99/36/1170239936.db2.gz PQULLFNZCLMZEH-UHFFFAOYSA-N -1 1 301.306 0.717 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)ccc1=O)[C@@H]1Cc2ccccc21 ZINC001606617302 1170244429 /nfs/dbraw/zinc/24/44/29/1170244429.db2.gz HIHYBTIXALRDFX-CYBMUJFWSA-N -1 1 307.313 0.937 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]2CCCC[C@@H]21 ZINC001606620172 1170245674 /nfs/dbraw/zinc/24/56/74/1170245674.db2.gz FYLICDMEOXIMGU-MNOVXSKESA-N -1 1 316.369 0.639 20 0 DCADMM O=C(N[C@H](CO)CC1CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606635008 1170248926 /nfs/dbraw/zinc/24/89/26/1170248926.db2.gz FZESPFSVQLWCHL-NSHDSACASA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H](CO)CC1CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606635008 1170248935 /nfs/dbraw/zinc/24/89/35/1170248935.db2.gz FZESPFSVQLWCHL-NSHDSACASA-N -1 1 302.338 0.543 20 0 DCADMM CO[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1cnn(C)c1 ZINC001606644633 1170250843 /nfs/dbraw/zinc/25/08/43/1170250843.db2.gz TUWJUBOONRJDPP-FZMZJTMJSA-N -1 1 324.381 0.115 20 0 DCADMM O=C(N[C@H]1CCC2(C1)OCCO2)c1coc(-c2nnn[n-]2)c1 ZINC001606657857 1170253285 /nfs/dbraw/zinc/25/32/85/1170253285.db2.gz KGKWZDGGWSWKMQ-VIFPVBQESA-N -1 1 305.294 0.485 20 0 DCADMM O=C(N[C@H]1CCC2(C1)OCCO2)c1coc(-c2nn[n-]n2)c1 ZINC001606657857 1170253291 /nfs/dbraw/zinc/25/32/91/1170253291.db2.gz KGKWZDGGWSWKMQ-VIFPVBQESA-N -1 1 305.294 0.485 20 0 DCADMM O=C(NC1CC2(CSC2)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606654606 1170253689 /nfs/dbraw/zinc/25/36/89/1170253689.db2.gz IYCZAMGUXXNJRS-UHFFFAOYSA-N -1 1 302.363 0.887 20 0 DCADMM O=C(NC1CC2(CSC2)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606654606 1170253694 /nfs/dbraw/zinc/25/36/94/1170253694.db2.gz IYCZAMGUXXNJRS-UHFFFAOYSA-N -1 1 302.363 0.887 20 0 DCADMM CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001606707007 1170269940 /nfs/dbraw/zinc/26/99/40/1170269940.db2.gz UJAREAAQLUMTFW-OAHLLOKOSA-N -1 1 302.334 0.943 20 0 DCADMM O=C(NCCC[C@@H]1CCOC1=O)c1coc(-c2nnn[n-]2)c1 ZINC001606765821 1170281555 /nfs/dbraw/zinc/28/15/55/1170281555.db2.gz IYIVPIVFKNYHHM-MRVPVSSYSA-N -1 1 305.294 0.533 20 0 DCADMM O=C(NCCC[C@@H]1CCOC1=O)c1coc(-c2nn[n-]n2)c1 ZINC001606765821 1170281556 /nfs/dbraw/zinc/28/15/56/1170281556.db2.gz IYIVPIVFKNYHHM-MRVPVSSYSA-N -1 1 305.294 0.533 20 0 DCADMM O=C(NCCNC(=O)c1ccco1)c1coc(-c2nnn[n-]2)c1 ZINC001606778926 1170286501 /nfs/dbraw/zinc/28/65/01/1170286501.db2.gz OZPNCJRFQOXPIK-UHFFFAOYSA-N -1 1 316.277 0.213 20 0 DCADMM O=C(NCCNC(=O)c1ccco1)c1coc(-c2nn[n-]n2)c1 ZINC001606778926 1170286505 /nfs/dbraw/zinc/28/65/05/1170286505.db2.gz OZPNCJRFQOXPIK-UHFFFAOYSA-N -1 1 316.277 0.213 20 0 DCADMM O=C(NCCNc1cccnc1-c1nnn[n-]1)c1cccnc1 ZINC001606780875 1170287885 /nfs/dbraw/zinc/28/78/85/1170287885.db2.gz PGVJELJDGFRHJH-UHFFFAOYSA-N -1 1 310.321 0.499 20 0 DCADMM O=C(NCCNc1cccnc1-c1nn[n-]n1)c1cccnc1 ZINC001606780875 1170287895 /nfs/dbraw/zinc/28/78/95/1170287895.db2.gz PGVJELJDGFRHJH-UHFFFAOYSA-N -1 1 310.321 0.499 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)C1(F)CCCCC1 ZINC001606803592 1170295663 /nfs/dbraw/zinc/29/56/63/1170295663.db2.gz ZNJSGTQFCBOOJU-UHFFFAOYSA-N -1 1 308.321 0.247 20 0 DCADMM O=C(NC[C@H]1CCC[C@@H]1O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606807426 1170297702 /nfs/dbraw/zinc/29/77/02/1170297702.db2.gz UWMZJOXSHSGQHP-KCJUWKMLSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@H]1CCC[C@@H]1O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606807426 1170297714 /nfs/dbraw/zinc/29/77/14/1170297714.db2.gz UWMZJOXSHSGQHP-KCJUWKMLSA-N -1 1 303.326 0.544 20 0 DCADMM COC[C@@H](NCCC(=O)NCC(=O)[O-])c1ccc(F)c(F)c1 ZINC001606815286 1170299420 /nfs/dbraw/zinc/29/94/20/1170299420.db2.gz VRRJZJZNPVJECS-GFCCVEGCSA-N -1 1 316.304 0.833 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccnc(C2CC2)n1 ZINC001606842228 1170308882 /nfs/dbraw/zinc/30/88/82/1170308882.db2.gz LWJHBSIPOGKOJE-UHFFFAOYSA-N -1 1 322.332 0.859 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccnc(C2CC2)n1 ZINC001606842228 1170308887 /nfs/dbraw/zinc/30/88/87/1170308887.db2.gz LWJHBSIPOGKOJE-UHFFFAOYSA-N -1 1 322.332 0.859 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cn2ccccc2n1 ZINC001606842071 1170309782 /nfs/dbraw/zinc/30/97/82/1170309782.db2.gz FWNXAZJSJMQUFH-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cn2ccccc2n1 ZINC001606842071 1170309788 /nfs/dbraw/zinc/30/97/88/1170309788.db2.gz FWNXAZJSJMQUFH-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM COC[C@@H]1CNCCN1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001606849077 1170312781 /nfs/dbraw/zinc/31/27/81/1170312781.db2.gz XNUVTDBOCOTCFY-VIFPVBQESA-N -1 1 311.313 0.976 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](CCCO)C1 ZINC001606933958 1170334159 /nfs/dbraw/zinc/33/41/59/1170334159.db2.gz SQJUPLVYKYNOCB-SNVBAGLBSA-N -1 1 317.353 0.888 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](CCCO)C1 ZINC001606933958 1170334167 /nfs/dbraw/zinc/33/41/67/1170334167.db2.gz SQJUPLVYKYNOCB-SNVBAGLBSA-N -1 1 317.353 0.888 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC(O)(C2CC2)C1 ZINC001606933687 1170334858 /nfs/dbraw/zinc/33/48/58/1170334858.db2.gz OHBQKWOIOACAQP-UHFFFAOYSA-N -1 1 301.310 0.250 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC(O)(C2CC2)C1 ZINC001606933687 1170334864 /nfs/dbraw/zinc/33/48/64/1170334864.db2.gz OHBQKWOIOACAQP-UHFFFAOYSA-N -1 1 301.310 0.250 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H]1C1OCCO1 ZINC001607016757 1170355700 /nfs/dbraw/zinc/35/57/00/1170355700.db2.gz BVDGSDFNAJVWQP-QMMMGPOBSA-N -1 1 321.362 0.906 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1C1OCCO1 ZINC001607016757 1170355709 /nfs/dbraw/zinc/35/57/09/1170355709.db2.gz BVDGSDFNAJVWQP-QMMMGPOBSA-N -1 1 321.362 0.906 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@]12CCOC2=O ZINC001607016706 1170356163 /nfs/dbraw/zinc/35/61/63/1170356163.db2.gz ABDKBKYTRHIMHJ-ZDUSSCGKSA-N -1 1 319.346 0.850 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@]12CCOC2=O ZINC001607016706 1170356167 /nfs/dbraw/zinc/35/61/67/1170356167.db2.gz ABDKBKYTRHIMHJ-ZDUSSCGKSA-N -1 1 319.346 0.850 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC001607040385 1170363576 /nfs/dbraw/zinc/36/35/76/1170363576.db2.gz VUYQHQGDNRQUDX-BDAKNGLRSA-N -1 1 318.362 0.421 20 0 DCADMM O=C1CCC(NS(=O)(=O)c2cccnc2-c2nn[n-]n2)CC1 ZINC001607044265 1170368370 /nfs/dbraw/zinc/36/83/70/1170368370.db2.gz PFEKKCPXDGDGGN-UHFFFAOYSA-N -1 1 322.350 0.052 20 0 DCADMM O=C1NC[C@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)O1 ZINC001607049754 1170370393 /nfs/dbraw/zinc/37/03/93/1170370393.db2.gz JLDOTMWFIPSLSZ-MRVPVSSYSA-N -1 1 312.289 0.290 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CNC(=O)c2ccccc21 ZINC001607049557 1170370529 /nfs/dbraw/zinc/37/05/29/1170370529.db2.gz GGXXLXGEBQOTJG-SECBINFHSA-N -1 1 324.304 0.056 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CNC(=O)c2ccccc21 ZINC001607049557 1170370533 /nfs/dbraw/zinc/37/05/33/1170370533.db2.gz GGXXLXGEBQOTJG-SECBINFHSA-N -1 1 324.304 0.056 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC001607060496 1170373733 /nfs/dbraw/zinc/37/37/33/1170373733.db2.gz TWYZQTFACKKQGE-HLUHBDAQSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC001607060496 1170373737 /nfs/dbraw/zinc/37/37/37/1170373737.db2.gz TWYZQTFACKKQGE-HLUHBDAQSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H]2CCC[C@@H]2C1 ZINC001607071952 1170377822 /nfs/dbraw/zinc/37/78/22/1170377822.db2.gz UHNCNTUBYDINGR-AOOOYVTPSA-N -1 1 320.378 0.682 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H]2CCC[C@@H]2C1 ZINC001607071952 1170377826 /nfs/dbraw/zinc/37/78/26/1170377826.db2.gz UHNCNTUBYDINGR-AOOOYVTPSA-N -1 1 320.378 0.682 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1cc(C2CC2)no1 ZINC001607088284 1170387070 /nfs/dbraw/zinc/38/70/70/1170387070.db2.gz HKTSXTCIUZZELP-UHFFFAOYSA-N -1 1 301.266 0.043 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cnn(-c2ccccc2)n1 ZINC001607090722 1170388169 /nfs/dbraw/zinc/38/81/69/1170388169.db2.gz WPLYNOYZUKRNTB-UHFFFAOYSA-N -1 1 320.316 0.657 20 0 DCADMM O[C@@H]1C[C@H](c2ccccc2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001607100160 1170394430 /nfs/dbraw/zinc/39/44/30/1170394430.db2.gz FIBDWCZUNUEVJH-DGCLKSJQSA-N -1 1 309.333 0.969 20 0 DCADMM O[C@@H]1C[C@H](c2ccccc2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001607100160 1170394436 /nfs/dbraw/zinc/39/44/36/1170394436.db2.gz FIBDWCZUNUEVJH-DGCLKSJQSA-N -1 1 309.333 0.969 20 0 DCADMM c1cn(-c2cccc(Nc3cncc(-c4nnn[n-]4)n3)c2)nn1 ZINC001607122145 1170404844 /nfs/dbraw/zinc/40/48/44/1170404844.db2.gz UMTAGGNWVXJUEQ-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1cn(-c2cccc(Nc3cncc(-c4nn[n-]n4)n3)c2)nn1 ZINC001607122145 1170404845 /nfs/dbraw/zinc/40/48/45/1170404845.db2.gz UMTAGGNWVXJUEQ-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1cnc(N[C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)nc1 ZINC001607134315 1170407590 /nfs/dbraw/zinc/40/75/90/1170407590.db2.gz GGIBFECZHLCKHR-SNVBAGLBSA-N -1 1 309.337 0.743 20 0 DCADMM c1cnc(N[C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)nc1 ZINC001607134315 1170407592 /nfs/dbraw/zinc/40/75/92/1170407592.db2.gz GGIBFECZHLCKHR-SNVBAGLBSA-N -1 1 309.337 0.743 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CCC3(CC2)COCCO3)n1 ZINC001607139100 1170408779 /nfs/dbraw/zinc/40/87/79/1170408779.db2.gz VWUSIMHZMKVKLP-UHFFFAOYSA-N -1 1 303.326 0.043 20 0 DCADMM c1ncc(-c2nnn[n-]2)nc1N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC001607138474 1170409376 /nfs/dbraw/zinc/40/93/76/1170409376.db2.gz GFTXGQBUDMMOTF-NOZJJQNGSA-N -1 1 303.326 0.407 20 0 DCADMM c1ncc(-c2nn[n-]n2)nc1N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC001607138474 1170409378 /nfs/dbraw/zinc/40/93/78/1170409378.db2.gz 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310.383 0.976 20 0 DCADMM CC[C@](NC(=O)c1csc(-c2nn[n-]n2)c1)(C(N)=O)C(C)C ZINC001609192985 1170859031 /nfs/dbraw/zinc/85/90/31/1170859031.db2.gz WVFUMZMLPYSTQO-CYBMUJFWSA-N -1 1 322.394 0.948 20 0 DCADMM CC[C@@](NC(=O)c1csc(-c2nn[n-]n2)c1)(C(N)=O)C(C)C ZINC001609192986 1170859939 /nfs/dbraw/zinc/85/99/39/1170859939.db2.gz WVFUMZMLPYSTQO-ZDUSSCGKSA-N -1 1 322.394 0.948 20 0 DCADMM CC[C@H]1[C@@H](C)CCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609199045 1170865290 /nfs/dbraw/zinc/86/52/90/1170865290.db2.gz NQEAWGRXXPOVLG-UWVGGRQHSA-N -1 1 319.373 0.288 20 0 DCADMM CC[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609202745 1170865630 /nfs/dbraw/zinc/86/56/30/1170865630.db2.gz OMCAYSIJPPDFGO-QMMMGPOBSA-N -1 1 313.339 0.259 20 0 DCADMM CC[C@@H]1CN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)C[C@@H](C)O1 ZINC001609202408 1170867821 /nfs/dbraw/zinc/86/78/21/1170867821.db2.gz HIMVVOBKQPIOLO-VXGBXAGGSA-N -1 1 318.381 0.794 20 0 DCADMM CC[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCS1 ZINC001609202606 1170867985 /nfs/dbraw/zinc/86/79/85/1170867985.db2.gz MEGIFTDGWLUNLK-SNVBAGLBSA-N -1 1 306.395 0.813 20 0 DCADMM CCC[C@H](O)[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609206225 1170868434 /nfs/dbraw/zinc/86/84/34/1170868434.db2.gz QMGYFEIXKRZSBR-UWVGGRQHSA-N -1 1 309.326 0.020 20 0 DCADMM CCC[C@H](O)[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609206225 1170868445 /nfs/dbraw/zinc/86/84/45/1170868445.db2.gz QMGYFEIXKRZSBR-UWVGGRQHSA-N -1 1 309.326 0.020 20 0 DCADMM CCCN(CC(C)(C)O)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609212013 1170871002 /nfs/dbraw/zinc/87/10/02/1170871002.db2.gz NYSJCWCDOIGTTN-VIFPVBQESA-N -1 1 322.373 0.029 20 0 DCADMM CCCn1c(C)nnc1Cn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001609218576 1170873814 /nfs/dbraw/zinc/87/38/14/1170873814.db2.gz SNLMLXYTNLLVOL-UHFFFAOYSA-N -1 1 314.353 0.695 20 0 DCADMM CCN(CC)C(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC001609222540 1170879286 /nfs/dbraw/zinc/87/92/86/1170879286.db2.gz KSEIQFXLHFNQIR-UHFFFAOYSA-N -1 1 309.351 0.953 20 0 DCADMM CCOC(=O)CCN(C)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609233119 1170886664 /nfs/dbraw/zinc/88/66/64/1170886664.db2.gz BJXKOYOJULMFIE-UHFFFAOYSA-N -1 1 307.310 0.793 20 0 DCADMM CCOC(=O)CCN(C)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609233119 1170886676 /nfs/dbraw/zinc/88/66/76/1170886676.db2.gz BJXKOYOJULMFIE-UHFFFAOYSA-N -1 1 307.310 0.793 20 0 DCADMM CCO[C@@H]1COC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609241851 1170892454 /nfs/dbraw/zinc/89/24/54/1170892454.db2.gz ZLEYKRIOAXVJQT-HTQZYQBOSA-N -1 1 309.351 0.462 20 0 DCADMM CCO[C@@H]1COC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609241851 1170892464 /nfs/dbraw/zinc/89/24/64/1170892464.db2.gz ZLEYKRIOAXVJQT-HTQZYQBOSA-N -1 1 309.351 0.462 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCCNC1=O ZINC001609262609 1170902577 /nfs/dbraw/zinc/90/25/77/1170902577.db2.gz FIGVOQHIQMWFKC-LLVKDONJSA-N -1 1 315.337 0.002 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCCNC1=O ZINC001609262609 1170902581 /nfs/dbraw/zinc/90/25/81/1170902581.db2.gz FIGVOQHIQMWFKC-LLVKDONJSA-N -1 1 315.337 0.002 20 0 DCADMM CN(Cc1ccco1)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609280872 1170908373 /nfs/dbraw/zinc/90/83/73/1170908373.db2.gz JMCGUVHLQHNVGO-UHFFFAOYSA-N -1 1 314.305 0.280 20 0 DCADMM COC(=O)[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001609294403 1170918307 /nfs/dbraw/zinc/91/83/07/1170918307.db2.gz JRTKSPHBZWHCID-CYBMUJFWSA-N -1 1 303.326 0.436 20 0 DCADMM COC(=O)[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001609294403 1170918309 /nfs/dbraw/zinc/91/83/09/1170918309.db2.gz JRTKSPHBZWHCID-CYBMUJFWSA-N -1 1 303.326 0.436 20 0 DCADMM COC(=O)[C@@H]1CSCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001609297131 1170919468 /nfs/dbraw/zinc/91/94/68/1170919468.db2.gz DMCGATGQLHTBON-VIFPVBQESA-N -1 1 320.378 0.604 20 0 DCADMM COC(=O)[C@@H]1CSCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001609297131 1170919469 /nfs/dbraw/zinc/91/94/69/1170919469.db2.gz DMCGATGQLHTBON-VIFPVBQESA-N -1 1 320.378 0.604 20 0 DCADMM COC(=O)CCSCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001609298906 1170921735 /nfs/dbraw/zinc/92/17/35/1170921735.db2.gz KRFMOQHGLGTNFG-UHFFFAOYSA-N -1 1 309.355 0.365 20 0 DCADMM COC(=O)CCSCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001609298906 1170921740 /nfs/dbraw/zinc/92/17/40/1170921740.db2.gz KRFMOQHGLGTNFG-UHFFFAOYSA-N -1 1 309.355 0.365 20 0 DCADMM COC(=O)[C@H]1CCCN(c2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001609301543 1170925272 /nfs/dbraw/zinc/92/52/72/1170925272.db2.gz QSXRYAPJXKHYEF-JTQLQIEISA-N -1 1 302.338 0.960 20 0 DCADMM COC(=O)[C@H]1CCCN(c2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001609301543 1170925277 /nfs/dbraw/zinc/92/52/77/1170925277.db2.gz QSXRYAPJXKHYEF-JTQLQIEISA-N -1 1 302.338 0.960 20 0 DCADMM CO[C@H](C)c1noc(CN(C)c2cncc(-c3nnn[n-]3)n2)n1 ZINC001609309608 1170927122 /nfs/dbraw/zinc/92/71/22/1170927122.db2.gz SSEXPDILOHYOEE-SSDOTTSWSA-N -1 1 317.313 0.384 20 0 DCADMM CO[C@H](C)c1noc(CN(C)c2cncc(-c3nn[n-]n3)n2)n1 ZINC001609309608 1170927127 /nfs/dbraw/zinc/92/71/27/1170927127.db2.gz SSEXPDILOHYOEE-SSDOTTSWSA-N -1 1 317.313 0.384 20 0 DCADMM CO[C@H](C)c1nsc(NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001609309499 1170927996 /nfs/dbraw/zinc/92/79/96/1170927996.db2.gz QIJWIUHLHWKGQD-ZCFIWIBFSA-N -1 1 322.358 0.129 20 0 DCADMM COCC1=CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001609319743 1170934154 /nfs/dbraw/zinc/93/41/54/1170934154.db2.gz LETOPNCNCFCLGU-UHFFFAOYSA-N -1 1 300.322 0.680 20 0 DCADMM COCC1=CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001609319743 1170934158 /nfs/dbraw/zinc/93/41/58/1170934158.db2.gz LETOPNCNCFCLGU-UHFFFAOYSA-N -1 1 300.322 0.680 20 0 DCADMM COC[C@@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001609321289 1170934262 /nfs/dbraw/zinc/93/42/62/1170934262.db2.gz UYJIRYBQUCJJDA-VIFPVBQESA-N -1 1 321.312 0.493 20 0 DCADMM COC[C@@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001609321289 1170934270 /nfs/dbraw/zinc/93/42/70/1170934270.db2.gz UYJIRYBQUCJJDA-VIFPVBQESA-N -1 1 321.312 0.493 20 0 DCADMM CON(C1CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609332096 1170942678 /nfs/dbraw/zinc/94/26/78/1170942678.db2.gz 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ZINC001609391293 1170962140 /nfs/dbraw/zinc/96/21/40/1170962140.db2.gz CLURORODSRGQID-KOLCDFICSA-N -1 1 314.353 0.213 20 0 DCADMM Cc1cc(NCCCN2CCCC2=O)cc(-c2nnn[n-]2)n1 ZINC001609409646 1170968730 /nfs/dbraw/zinc/96/87/30/1170968730.db2.gz RKHKPJRFYZPJDX-UHFFFAOYSA-N -1 1 301.354 0.995 20 0 DCADMM Cc1cc(NCCCN2CCCC2=O)cc(-c2nn[n-]n2)n1 ZINC001609409646 1170968735 /nfs/dbraw/zinc/96/87/35/1170968735.db2.gz RKHKPJRFYZPJDX-UHFFFAOYSA-N -1 1 301.354 0.995 20 0 DCADMM Cc1cc(NCc2cc(C(N)=O)no2)cc(-c2nnn[n-]2)n1 ZINC001609410476 1170969100 /nfs/dbraw/zinc/96/91/00/1170969100.db2.gz ICSIAPZZLQMSMO-UHFFFAOYSA-N -1 1 300.282 0.269 20 0 DCADMM Cc1cc(NCc2cc(C(N)=O)no2)cc(-c2nn[n-]n2)n1 ZINC001609410476 1170969106 /nfs/dbraw/zinc/96/91/06/1170969106.db2.gz ICSIAPZZLQMSMO-UHFFFAOYSA-N -1 1 300.282 0.269 20 0 DCADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(-c2nn[nH]n2)c(C)c1 ZINC001609411483 1170970781 /nfs/dbraw/zinc/97/07/81/1170970781.db2.gz KKCUCHRJQXLUQV-UHFFFAOYSA-N -1 1 320.334 0.974 20 0 DCADMM Cc1ccc(N[C@@H]2CC(=O)N(C(C)C)C2)nc1-c1nnn[n-]1 ZINC001609426452 1170973578 /nfs/dbraw/zinc/97/35/78/1170973578.db2.gz UEHPJHBEDAYCNF-SNVBAGLBSA-N -1 1 301.354 0.991 20 0 DCADMM Cc1ccc(N[C@@H]2CC(=O)N(C(C)C)C2)nc1-c1nn[n-]n1 ZINC001609426452 1170973582 /nfs/dbraw/zinc/97/35/82/1170973582.db2.gz UEHPJHBEDAYCNF-SNVBAGLBSA-N -1 1 301.354 0.991 20 0 DCADMM Cc1nn(C)c(C)c1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609458310 1170984419 /nfs/dbraw/zinc/98/44/19/1170984419.db2.gz HNRVJOZUSWDLDL-MRVPVSSYSA-N -1 1 316.329 0.008 20 0 DCADMM NC(=O)C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001609502426 1171003529 /nfs/dbraw/zinc/00/35/29/1171003529.db2.gz MTEWXTZPLDHPGJ-SNVBAGLBSA-N -1 1 316.369 0.893 20 0 DCADMM NC(=O)C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001609502426 1171003536 /nfs/dbraw/zinc/00/35/36/1171003536.db2.gz MTEWXTZPLDHPGJ-SNVBAGLBSA-N -1 1 316.369 0.893 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cncc2ccccc21 ZINC001609511044 1171004431 /nfs/dbraw/zinc/00/44/31/1171004431.db2.gz 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/nfs/dbraw/zinc/02/79/04/1171027904.db2.gz BTTZZBGZEQGKRC-UHFFFAOYSA-N -1 1 314.349 0.760 20 0 DCADMM O=C1CN(Cc2nc(-c3nnn[n-]3)cs2)CN1CC1CC1 ZINC001609589269 1171031723 /nfs/dbraw/zinc/03/17/23/1171031723.db2.gz QLQPSHTYZFYVMP-UHFFFAOYSA-N -1 1 305.367 0.335 20 0 DCADMM O=C1CN(Cc2nc(-c3nn[n-]n3)cs2)CN1CC1CC1 ZINC001609589269 1171031731 /nfs/dbraw/zinc/03/17/31/1171031731.db2.gz QLQPSHTYZFYVMP-UHFFFAOYSA-N -1 1 305.367 0.335 20 0 DCADMM O=S1(=O)CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001609598550 1171037526 /nfs/dbraw/zinc/03/75/26/1171037526.db2.gz IBFSKYRFYIJWRQ-BYPYZUCNSA-N -1 1 320.787 0.576 20 0 DCADMM O=c1c(-c2nn[n-]n2)cc(CN2CCOCC2)cn1CCCF ZINC001609603919 1171039863 /nfs/dbraw/zinc/03/98/63/1171039863.db2.gz KVBBQBIYZBIJMO-UHFFFAOYSA-N -1 1 322.344 0.220 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1ccc(C(F)(F)F)cn1 ZINC001609604868 1171040142 /nfs/dbraw/zinc/04/01/42/1171040142.db2.gz ULKZDRKIBZWVPA-UHFFFAOYSA-N -1 1 323.238 0.886 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1nnc(-c2ccccc2)o1 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/nfs/dbraw/zinc/21/66/44/948216644.db2.gz SICMBSIUABUWOM-MWLCHTKSSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573434694 948216655 /nfs/dbraw/zinc/21/66/55/948216655.db2.gz SICMBSIUABUWOM-MWLCHTKSSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573438711 948239531 /nfs/dbraw/zinc/23/95/31/948239531.db2.gz FFJORUCHXSDZFW-AWEZNQCLSA-N -1 1 314.353 0.105 20 0 DCADMM CC(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573438711 948239540 /nfs/dbraw/zinc/23/95/40/948239540.db2.gz FFJORUCHXSDZFW-AWEZNQCLSA-N -1 1 314.353 0.105 20 0 DCADMM CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001327579023 948559759 /nfs/dbraw/zinc/55/97/59/948559759.db2.gz LMEXIIWGTZGZRR-UHFFFAOYSA-N -1 1 308.338 0.081 20 0 DCADMM CCOCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC001488128571 948560508 /nfs/dbraw/zinc/56/05/08/948560508.db2.gz HPQBMDPQFUHCAS-WDEREUQCSA-N -1 1 307.350 0.543 20 0 DCADMM CC1(C)CC[C@@H](O)[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001570918580 948577016 /nfs/dbraw/zinc/57/70/16/948577016.db2.gz RFAMMUARBREGLG-VXGBXAGGSA-N -1 1 316.365 0.931 20 0 DCADMM CC1(C)CC[C@@H](O)[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001570918580 948577023 /nfs/dbraw/zinc/57/70/23/948577023.db2.gz RFAMMUARBREGLG-VXGBXAGGSA-N -1 1 316.365 0.931 20 0 DCADMM C[C@H](C(=O)N[C@@H](C)c1cccs1)n1cnc(-c2nn[n-]n2)n1 ZINC001573730722 948584479 /nfs/dbraw/zinc/58/44/79/948584479.db2.gz BZKKQQVABHXRRK-JGVFFNPUSA-N -1 1 318.366 0.958 20 0 DCADMM C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573730723 948584570 /nfs/dbraw/zinc/58/45/70/948584570.db2.gz BZKKQQVABHXRRK-YUMQZZPRSA-N -1 1 318.366 0.958 20 0 DCADMM C[C@H](C(=O)[N-]Oc1ccc(F)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573730953 948586085 /nfs/dbraw/zinc/58/60/85/948586085.db2.gz UBLAVZGXYYZTRG-SSDOTTSWSA-N -1 1 318.272 0.269 20 0 DCADMM C[C@@H](C(=O)[N-]Oc1ccc(F)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573730954 948586275 /nfs/dbraw/zinc/58/62/75/948586275.db2.gz UBLAVZGXYYZTRG-ZETCQYMHSA-N -1 1 318.272 0.269 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(Cl)nn1 ZINC001570920748 948607217 /nfs/dbraw/zinc/60/72/17/948607217.db2.gz BADCTXBVJFYFHE-UHFFFAOYSA-N -1 1 316.712 0.886 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(Cl)nn1 ZINC001570920748 948607220 /nfs/dbraw/zinc/60/72/20/948607220.db2.gz BADCTXBVJFYFHE-UHFFFAOYSA-N -1 1 316.712 0.886 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001570920907 948610268 /nfs/dbraw/zinc/61/02/68/948610268.db2.gz GTNLYIIBYQPXHB-NXEZZACHSA-N -1 1 316.369 0.138 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@@H](O)CC[C@H]1C ZINC001570921579 948623863 /nfs/dbraw/zinc/62/38/63/948623863.db2.gz GIHCQPXAINUNMG-BDAKNGLRSA-N -1 1 318.337 0.261 20 0 DCADMM CC(C)[C@@H](F)C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574079571 948772041 /nfs/dbraw/zinc/77/20/41/948772041.db2.gz KGWRIWYTLQXAFZ-LDYMZIIASA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@@H](F)C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574079571 948772054 /nfs/dbraw/zinc/77/20/54/948772054.db2.gz KGWRIWYTLQXAFZ-LDYMZIIASA-N -1 1 322.348 0.567 20 0 DCADMM Cc1nsc(NCc2nc(C(N)=O)cs2)c1-c1nn[n-]n1 ZINC001570929924 948791492 /nfs/dbraw/zinc/79/14/92/948791492.db2.gz BRIDXOLOCJLNES-UHFFFAOYSA-N -1 1 322.379 0.799 20 0 DCADMM CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001488417285 948819744 /nfs/dbraw/zinc/81/97/44/948819744.db2.gz DFMRUMOKYBUNLB-NSHDSACASA-N -1 1 309.366 0.479 20 0 DCADMM C[C@H]1CCCc2ncc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)n21 ZINC001548761776 1013090408 /nfs/dbraw/zinc/09/04/08/1013090408.db2.gz HKDINGSDGSISCD-VHSXEESVSA-N -1 1 301.354 0.923 20 0 DCADMM CC(C)CC[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001570932713 948864619 /nfs/dbraw/zinc/86/46/19/948864619.db2.gz WTEZSPHRIDMKFG-VIFPVBQESA-N -1 1 322.373 0.519 20 0 DCADMM CC(C)CC[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001570932713 948864636 /nfs/dbraw/zinc/86/46/36/948864636.db2.gz WTEZSPHRIDMKFG-VIFPVBQESA-N -1 1 322.373 0.519 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)c3nc(C)oc3C)nc2n1 ZINC001328634637 949000530 /nfs/dbraw/zinc/00/05/30/949000530.db2.gz SUVJADXHYYUOJI-UHFFFAOYSA-N -1 1 302.294 0.837 20 0 DCADMM CCCc1cc(=O)n2[n-]c(NC(=O)Cc3ccon3)nc2n1 ZINC001328634481 949000724 /nfs/dbraw/zinc/00/07/24/949000724.db2.gz RTCWZNLHLSKKEJ-UHFFFAOYSA-N -1 1 302.294 0.539 20 0 DCADMM C[C@@H](CN(C)C(=O)C(C)(C)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574694493 949076274 /nfs/dbraw/zinc/07/62/74/949076274.db2.gz PYODWGDHJNXFOI-QMMMGPOBSA-N -1 1 322.348 0.664 20 0 DCADMM C[C@@H](CN(C)C(=O)C(C)(C)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574694493 949076295 /nfs/dbraw/zinc/07/62/95/949076295.db2.gz PYODWGDHJNXFOI-QMMMGPOBSA-N -1 1 322.348 0.664 20 0 DCADMM Cc1ccn([C@H](C)CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)n1 ZINC001364382721 949158573 /nfs/dbraw/zinc/15/85/73/949158573.db2.gz HKWPDORUROLAIY-GHMZBOCLSA-N -1 1 305.342 0.256 20 0 DCADMM CC(C)(C)C(=O)CCCC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001364383502 949161432 /nfs/dbraw/zinc/16/14/32/949161432.db2.gz ORWWAMBTYDVOPO-JTQLQIEISA-N -1 1 309.370 0.885 20 0 DCADMM C[C@@H](NC(=O)C(C)(C)F)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575254781 949215105 /nfs/dbraw/zinc/21/51/05/949215105.db2.gz XTVSIRPUJWNDGH-HTQZYQBOSA-N -1 1 322.348 0.710 20 0 DCADMM C[C@@H](NC(=O)C(C)(C)F)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575254781 949215125 /nfs/dbraw/zinc/21/51/25/949215125.db2.gz XTVSIRPUJWNDGH-HTQZYQBOSA-N -1 1 322.348 0.710 20 0 DCADMM CC1(C)CCC[C@H](CNC(=O)CNC(=O)c2ncccc2[O-])O1 ZINC001364412215 949220303 /nfs/dbraw/zinc/22/03/03/949220303.db2.gz UQRLIXXVXLXSTG-LLVKDONJSA-N -1 1 321.377 0.981 20 0 DCADMM C[C@]1(O)CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575855806 949238727 /nfs/dbraw/zinc/23/87/27/949238727.db2.gz ABFKBRXNFLYONC-ZDUSSCGKSA-N -1 1 322.394 0.985 20 0 DCADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccnn1C ZINC001364500212 949433461 /nfs/dbraw/zinc/43/34/61/949433461.db2.gz UYVLDCVVWPOSEN-VIFPVBQESA-N -1 1 303.322 0.128 20 0 DCADMM CC(C)CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574116920 949438013 /nfs/dbraw/zinc/43/80/13/949438013.db2.gz HGUNRCFAZYIKRF-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573805926 949482089 /nfs/dbraw/zinc/48/20/89/949482089.db2.gz DILAAJVGOPCBBQ-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573805926 949482099 /nfs/dbraw/zinc/48/20/99/949482099.db2.gz DILAAJVGOPCBBQ-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM Cc1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c(C)nn1 ZINC001364548309 949534855 /nfs/dbraw/zinc/53/48/55/949534855.db2.gz HLAKXXBABMDMIP-UHFFFAOYSA-N -1 1 315.333 0.592 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574956199 949576763 /nfs/dbraw/zinc/57/67/63/949576763.db2.gz HJCZFBFCWSFAOW-OPRDCNLKSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574956199 949576783 /nfs/dbraw/zinc/57/67/83/949576783.db2.gz HJCZFBFCWSFAOW-OPRDCNLKSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@H]1Cn2nccc2N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001364595267 949609867 /nfs/dbraw/zinc/60/98/67/949609867.db2.gz SAXJBTBVOQVEDX-SNVBAGLBSA-N -1 1 315.333 0.396 20 0 DCADMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ncccc1N(C)C ZINC001364651428 949700415 /nfs/dbraw/zinc/70/04/15/949700415.db2.gz NJHZUKYMDJMEAD-UHFFFAOYSA-N -1 1 303.370 0.959 20 0 DCADMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1c2c(nn1C)CCC2 ZINC001364652659 949701810 /nfs/dbraw/zinc/70/18/10/949701810.db2.gz VLYQIIGBAAYYKM-UHFFFAOYSA-N -1 1 303.370 0.720 20 0 DCADMM C[C@H](CN(C)C(=O)CC1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574717107 949728476 /nfs/dbraw/zinc/72/84/76/949728476.db2.gz UJCCGJYGVDIWAO-SECBINFHSA-N -1 1 316.369 0.716 20 0 DCADMM C[C@H](CN(C)C(=O)CC1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574717107 949728482 /nfs/dbraw/zinc/72/84/82/949728482.db2.gz UJCCGJYGVDIWAO-SECBINFHSA-N -1 1 316.369 0.716 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)Cn3cc(C4CC4)cn3)nc2n1 ZINC001329643192 949743512 /nfs/dbraw/zinc/74/35/12/949743512.db2.gz QRJXUVUNMPBHLP-UHFFFAOYSA-N -1 1 313.321 0.439 20 0 DCADMM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2ncnn2C)n[n-]1 ZINC001364721216 949815889 /nfs/dbraw/zinc/81/58/89/949815889.db2.gz AMMASHIOEJZGGY-SNVBAGLBSA-N -1 1 321.385 0.987 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NCc2ncnn2C)n1 ZINC001364721216 949815903 /nfs/dbraw/zinc/81/59/03/949815903.db2.gz AMMASHIOEJZGGY-SNVBAGLBSA-N -1 1 321.385 0.987 20 0 DCADMM COC(=O)[C@H](NS(=O)(=O)c1ncc[n-]1)c1cccs1 ZINC001364771685 949912220 /nfs/dbraw/zinc/91/22/20/949912220.db2.gz ZPYMTOSSTHLNAK-MRVPVSSYSA-N -1 1 301.349 0.664 20 0 DCADMM COC(=O)C1([N-]S(=O)(=O)c2nc[nH]c2Br)CC1 ZINC001364796523 949954298 /nfs/dbraw/zinc/95/42/98/949954298.db2.gz GYYIJPGZEXTHQF-UHFFFAOYSA-N -1 1 324.156 0.156 20 0 DCADMM CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc(OC)ns1 ZINC001364800244 949964636 /nfs/dbraw/zinc/96/46/36/949964636.db2.gz QRUMKIQCMDRMHF-UHFFFAOYSA-N -1 1 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CC(C)c1nc(CN(C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n[nH]1 ZINC001592020284 976710990 /nfs/dbraw/zinc/71/09/90/976710990.db2.gz UVMBYQZKXBRKJF-VHSXEESVSA-N -1 1 309.370 0.197 20 0 DCADMM CC(C)n1ccc(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])n1 ZINC001592133486 976978523 /nfs/dbraw/zinc/97/85/23/976978523.db2.gz VFUZLESGXVOSCG-LBPRGKRZSA-N -1 1 305.338 0.542 20 0 DCADMM C[C@H](OCc1ccccc1)[C@@H](N)C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC000714811530 977680601 /nfs/dbraw/zinc/68/06/01/977680601.db2.gz PCCUVSAYSDVIAD-IGHBBLSQSA-N -1 1 306.362 0.756 20 0 DCADMM CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)[C@H](C)CC(=O)[O-] ZINC001592420844 978031099 /nfs/dbraw/zinc/03/10/99/978031099.db2.gz IPMWFPROROQJED-SFYZADRCSA-N -1 1 322.383 0.277 20 0 DCADMM C[C@H](CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)N1CCCCC1 ZINC000723255094 978183638 /nfs/dbraw/zinc/18/36/38/978183638.db2.gz MNEYFFJRECIHSL-UTUOFQBUSA-N -1 1 304.412 0.643 20 0 DCADMM C[C@](CCF)(NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)C(=O)[O-] ZINC001592507222 978324491 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/nfs/dbraw/zinc/04/87/13/1001048713.db2.gz VGHJXMGIVHYHIM-ZJUUUORDSA-N -1 1 308.338 0.824 20 0 DCADMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC001419436765 1001048717 /nfs/dbraw/zinc/04/87/17/1001048717.db2.gz VGHJXMGIVHYHIM-ZJUUUORDSA-N -1 1 308.338 0.824 20 0 DCADMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC001419436765 1001048722 /nfs/dbraw/zinc/04/87/22/1001048722.db2.gz VGHJXMGIVHYHIM-ZJUUUORDSA-N -1 1 308.338 0.824 20 0 DCADMM CC(=O)N[C@@H](C(=O)NCc1nc([O-])cc(=O)[nH]1)C1CCCC1 ZINC001470582753 1016462667 /nfs/dbraw/zinc/46/26/67/1016462667.db2.gz APYUGIPJLOZYPM-CYBMUJFWSA-N -1 1 308.338 0.199 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])Nc1cnn2ccccc12 ZINC001470627736 1016468650 /nfs/dbraw/zinc/46/86/50/1016468650.db2.gz JEBQJGSRLSDKHV-UHFFFAOYSA-N -1 1 311.301 0.803 20 0 DCADMM CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](COC)c1nn[n-]n1 ZINC001419552315 1001135212 /nfs/dbraw/zinc/13/52/12/1001135212.db2.gz LIYNDMDXBNXEIM-GRYCIOLGSA-N -1 1 311.386 0.989 20 0 DCADMM COC[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)O2)c1nn[n-]n1 ZINC001419555093 1001136239 /nfs/dbraw/zinc/13/62/39/1001136239.db2.gz PATICTKRODKYGO-KWQFWETISA-N -1 1 303.322 0.641 20 0 DCADMM COC[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)c1nn[n-]n1 ZINC001419555531 1001136355 /nfs/dbraw/zinc/13/63/55/1001136355.db2.gz RDLDWPBPSQZICF-NSHDSACASA-N -1 1 318.337 0.297 20 0 DCADMM C[C@@H](O)CCCN1CCO[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001419567240 1001144852 /nfs/dbraw/zinc/14/48/52/1001144852.db2.gz HMXUVIGJOGZPTQ-CHWSQXEVSA-N -1 1 323.393 0.379 20 0 DCADMM O=C(NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1)[C@H]1C[C@@H]1C(F)F ZINC001402288275 1001181026 /nfs/dbraw/zinc/18/10/26/1001181026.db2.gz PDZUTRSHMQCDGV-XHNCKOQMSA-N -1 1 315.324 0.396 20 0 DCADMM C[C@@H](C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1)C(C)(F)F ZINC001402326237 1001217494 /nfs/dbraw/zinc/21/74/94/1001217494.db2.gz NIMMAEDMJIOYPQ-CBAPKCEASA-N -1 1 317.340 0.786 20 0 DCADMM COCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2 ZINC001402378391 1001262707 /nfs/dbraw/zinc/26/27/07/1001262707.db2.gz FZTBVKUUCMZJJM-AXFHLTTASA-N -1 1 309.370 0.016 20 0 DCADMM CCc1cc(C(=O)N(C)[C@H](C)CNCc2n[nH]c(=O)[n-]2)no1 ZINC001419742849 1001270206 /nfs/dbraw/zinc/27/02/06/1001270206.db2.gz YLZNUZXNRHJFBT-MRVPVSSYSA-N -1 1 308.342 0.311 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001419746841 1001274777 /nfs/dbraw/zinc/27/47/77/1001274777.db2.gz NMMVBYMTHRXWAX-GHMZBOCLSA-N -1 1 311.386 0.264 20 0 DCADMM CC(C)[C@H](CNC(=O)[C@@]1(C)CCOC1)NCc1n[nH]c(=O)[n-]1 ZINC001419916246 1001405947 /nfs/dbraw/zinc/40/59/47/1001405947.db2.gz BSZNKGSDALEFQZ-HZMBPMFUSA-N -1 1 311.386 0.167 20 0 DCADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001402576741 1001418966 /nfs/dbraw/zinc/41/89/66/1001418966.db2.gz WKPOQLDGGTZGIR-GHMZBOCLSA-N -1 1 307.398 0.931 20 0 DCADMM CCNC(=O)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@H]1C ZINC001402815224 1001513096 /nfs/dbraw/zinc/51/30/96/1001513096.db2.gz SVKVODIQEBEYCE-KOLCDFICSA-N -1 1 323.397 0.143 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)c1ccc(Cl)cn1 ZINC001403006063 1001628826 /nfs/dbraw/zinc/62/88/26/1001628826.db2.gz JQEPGHJADARVNT-YUMQZZPRSA-N -1 1 324.772 0.855 20 0 DCADMM COc1cnc(C(C)(C)NC(=O)c2ccn(C)c(=O)c2)[n-]c1=O ZINC001419972267 1001735660 /nfs/dbraw/zinc/73/56/60/1001735660.db2.gz JHXIJYQPIZPGJZ-UHFFFAOYSA-N -1 1 318.333 0.555 20 0 DCADMM CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccnnc1 ZINC001403280605 1001779128 /nfs/dbraw/zinc/77/91/28/1001779128.db2.gz WSDCHLWTFDGANQ-NSHDSACASA-N -1 1 319.369 0.379 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001471121917 1016531638 /nfs/dbraw/zinc/53/16/38/1016531638.db2.gz IZPUSUWAEHIUEA-YXRHHCIQSA-N -1 1 317.345 0.057 20 0 DCADMM CN(CCNC(=O)c1ccc(F)cc1)Cc1nc(=O)n(C)[n-]1 ZINC001403481951 1002015437 /nfs/dbraw/zinc/01/54/37/1002015437.db2.gz BWPXQHMZOAMYQN-UHFFFAOYSA-N -1 1 307.329 0.109 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)c1occ2c1CCC2 ZINC001424806717 1002046187 /nfs/dbraw/zinc/04/61/87/1002046187.db2.gz RUBSEHJUDUIZPT-RKDXNWHRSA-N -1 1 319.365 0.889 20 0 DCADMM CCn1ccc(C(=O)N[C@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)n1 ZINC001424823959 1002065891 /nfs/dbraw/zinc/06/58/91/1002065891.db2.gz MDXQYISXCLNFMC-RKDXNWHRSA-N -1 1 307.358 0.023 20 0 DCADMM CCc1nnc(CN[C@@H](C)CN(C)C(=O)c2ncccc2[O-])o1 ZINC001403538415 1002102184 /nfs/dbraw/zinc/10/21/84/1002102184.db2.gz INIOCABSZPUNEY-JTQLQIEISA-N -1 1 319.365 0.983 20 0 DCADMM O=C(Cc1cncs1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001471392505 1016570999 /nfs/dbraw/zinc/57/09/99/1016570999.db2.gz QYKCSQXOSPLNQK-UHFFFAOYSA-N -1 1 306.347 0.570 20 0 DCADMM COC(=O)CCCC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001471392274 1016572497 /nfs/dbraw/zinc/57/24/97/1016572497.db2.gz NBFMHCZOXQQCNL-UHFFFAOYSA-N -1 1 309.322 0.214 20 0 DCADMM CCc1oncc1C(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001403599922 1002190658 /nfs/dbraw/zinc/19/06/58/1002190658.db2.gz JXHBTGPHNQQIJO-QMMMGPOBSA-N -1 1 308.342 0.311 20 0 DCADMM Cc1csc(CCC(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)n1 ZINC001420320382 1002219656 /nfs/dbraw/zinc/21/96/56/1002219656.db2.gz PHTQMMNCIJCNRO-MRVPVSSYSA-N -1 1 324.410 0.502 20 0 DCADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)NC(=O)c1ncccc1[O-] ZINC001425038724 1002280146 /nfs/dbraw/zinc/28/01/46/1002280146.db2.gz SWTMTLLJBAUUKT-YPMHNXCESA-N -1 1 321.377 0.933 20 0 DCADMM Cc1c[nH]nc1C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001425040099 1002281672 /nfs/dbraw/zinc/28/16/72/1002281672.db2.gz AWZFYEDFQRYFQN-JTQLQIEISA-N -1 1 317.349 0.709 20 0 DCADMM C[C@@H](C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1)C1CC1 ZINC001425228973 1002460274 /nfs/dbraw/zinc/46/02/74/1002460274.db2.gz HELAFXXZLMYDLP-ZJUUUORDSA-N -1 1 307.398 0.091 20 0 DCADMM COCCOc1cncc(C(=O)NC2(c3nn[n-]n3)CCC2)c1 ZINC001471659629 1016630158 /nfs/dbraw/zinc/63/01/58/1016630158.db2.gz MNJHTYQBHGGSBK-UHFFFAOYSA-N -1 1 318.337 0.429 20 0 DCADMM Cc1cc(C(=O)N[C@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)c(C)o1 ZINC001420544416 1002592611 /nfs/dbraw/zinc/59/26/11/1002592611.db2.gz NSWHWJHCTCHZBM-SECBINFHSA-N -1 1 321.381 0.569 20 0 DCADMM COC[C@H](NC(=O)c1ccn(C2CCCC2)n1)c1nn[n-]n1 ZINC001471845154 1016665635 /nfs/dbraw/zinc/66/56/35/1016665635.db2.gz FZLLVPVJRHYXRG-NSHDSACASA-N -1 1 305.342 0.629 20 0 DCADMM C[C@@H]1CN(C(=O)CCCc2nn[n-]n2)CCN1c1cnccn1 ZINC001420712179 1002834974 /nfs/dbraw/zinc/83/49/74/1002834974.db2.gz UIYBWPOAMANZKD-LLVKDONJSA-N -1 1 316.369 0.050 20 0 DCADMM Cc1cnccc1C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001420731598 1002880006 /nfs/dbraw/zinc/88/00/06/1002880006.db2.gz FTXUBFQXOJNFKW-GFCCVEGCSA-N -1 1 316.365 0.512 20 0 DCADMM CCOCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])C[C@@H]1C ZINC001425607925 1002885328 /nfs/dbraw/zinc/88/53/28/1002885328.db2.gz RLVAONHQADQHSI-QWRGUYRKSA-N -1 1 307.350 0.543 20 0 DCADMM COCCC(C)(C)C(=O)N(C)C[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001425660141 1002938186 /nfs/dbraw/zinc/93/81/86/1002938186.db2.gz QDBNMNHQBGOFKD-SNVBAGLBSA-N -1 1 313.402 0.510 20 0 DCADMM Cn1nccc1[C@@H](O)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001472042051 1016713327 /nfs/dbraw/zinc/71/33/27/1016713327.db2.gz VMELPLCTTVDOMB-NSHDSACASA-N -1 1 303.322 0.257 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)C2(F)CCCC2)nc1=O ZINC001420859504 1003047297 /nfs/dbraw/zinc/04/72/97/1003047297.db2.gz DDNQKJMKQBFNID-JTQLQIEISA-N -1 1 311.361 0.081 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]2CNC(=O)C2(F)CCCC2)nc1=O ZINC001420859506 1003047935 /nfs/dbraw/zinc/04/79/35/1003047935.db2.gz DDNQKJMKQBFNID-SNVBAGLBSA-N -1 1 311.361 0.081 20 0 DCADMM Cn1[n-]c(CN2CC=C(CNC(=O)CCCF)CC2)nc1=O ZINC001508212125 1016718351 /nfs/dbraw/zinc/71/83/51/1016718351.db2.gz JBFDGXGCSLZNHJ-UHFFFAOYSA-N -1 1 311.361 0.106 20 0 DCADMM CC(C)OC(=O)c1cc(NC(=O)COCc2ccnn2C)n[nH]1 ZINC001472090898 1016731105 /nfs/dbraw/zinc/73/11/05/1016731105.db2.gz LYVRLAPCURYWRB-UHFFFAOYSA-N -1 1 321.337 0.864 20 0 DCADMM CS(=O)(=O)C[C@@H](O)CNC(=O)c1cc(Cl)ccc1[O-] ZINC001472184222 1016756529 /nfs/dbraw/zinc/75/65/29/1016756529.db2.gz DQKQLRMBQRCFMN-QMMMGPOBSA-N -1 1 307.755 0.181 20 0 DCADMM CN(CCN(C)C(=O)c1ncccc1[O-])CC(=O)N1CCCC1 ZINC001406094768 1003346074 /nfs/dbraw/zinc/34/60/74/1003346074.db2.gz VYXKNSPXPCZGLR-UHFFFAOYSA-N -1 1 320.393 0.413 20 0 DCADMM CO[C@H](C)CC(=O)N(C)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001426118684 1003449793 /nfs/dbraw/zinc/44/97/93/1003449793.db2.gz QFUSTSJEXHJWSK-VOMCLLRMSA-N -1 1 321.377 0.931 20 0 DCADMM O=C(NC[C@@H](O)CNCc1n[nH]c(=O)[n-]1)[C@H]1CCCC2(CC2)C1 ZINC001406212564 1003483104 /nfs/dbraw/zinc/48/31/04/1003483104.db2.gz LBIJFKHMPYLKEC-QWRGUYRKSA-N -1 1 323.397 0.047 20 0 DCADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cnn(CC3CC3)c2)n1 ZINC001472498334 1016811930 /nfs/dbraw/zinc/81/19/30/1016811930.db2.gz NUJRDZJSHDPCDU-UHFFFAOYSA-N -1 1 310.339 0.067 20 0 DCADMM CS(=O)(=O)c1nnc(NC(=O)c2cnn(CC3CC3)c2)[n-]1 ZINC001472498334 1016811957 /nfs/dbraw/zinc/81/19/57/1016811957.db2.gz NUJRDZJSHDPCDU-UHFFFAOYSA-N -1 1 310.339 0.067 20 0 DCADMM C[C@@H]1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@@H]1CO ZINC001428171400 1003742808 /nfs/dbraw/zinc/74/28/08/1003742808.db2.gz RPWRITHWSVICRJ-BXKDBHETSA-N -1 1 322.365 0.167 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001406504966 1003773148 /nfs/dbraw/zinc/77/31/48/1003773148.db2.gz GLSFUAMDVFTPDZ-UWVGGRQHSA-N -1 1 321.385 0.032 20 0 DCADMM C[C@@H](NC(=O)c1ccn(C)n1)[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001426468904 1003781967 /nfs/dbraw/zinc/78/19/67/1003781967.db2.gz XHPXGMGHBJLWBP-NXEZZACHSA-N -1 1 317.349 0.458 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)Cc2cnccc2C)n1 ZINC001472544964 1016820869 /nfs/dbraw/zinc/82/08/69/1016820869.db2.gz FIRFBRABYQBMGN-UHFFFAOYSA-N -1 1 303.322 0.544 20 0 DCADMM CN(C[C@H](O)CN(C)C(=O)C1CC1)C(=O)c1ncccc1[O-] ZINC001428268678 1003808109 /nfs/dbraw/zinc/80/81/09/1003808109.db2.gz QQFKODDFZRWQFR-LLVKDONJSA-N -1 1 307.350 0.089 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CCCc1ccccn1 ZINC001406546514 1003820128 /nfs/dbraw/zinc/82/01/28/1003820128.db2.gz QMJNTIFESNRBGB-NSHDSACASA-N -1 1 318.381 0.523 20 0 DCADMM C[C@H](CN(C)CC(=O)N(C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001406627195 1003944482 /nfs/dbraw/zinc/94/44/82/1003944482.db2.gz YXIJLXZMECQHHV-LLVKDONJSA-N -1 1 320.393 0.458 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CCCCO1 ZINC001428602466 1004052017 /nfs/dbraw/zinc/05/20/17/1004052017.db2.gz XRJQPWQGIXYOGK-JQWIXIFHSA-N -1 1 307.350 0.591 20 0 DCADMM O=C(C[C@@H]1CCCCO1)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001406758000 1004062038 /nfs/dbraw/zinc/06/20/38/1004062038.db2.gz HXBKESIGQYMNBA-NWDGAFQWSA-N -1 1 323.397 0.454 20 0 DCADMM C[C@H]1C[C@H](NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCO1 ZINC001427172339 1004239817 /nfs/dbraw/zinc/23/98/17/1004239817.db2.gz HTTCMWQRRMRQKM-VHSXEESVSA-N -1 1 322.365 0.622 20 0 DCADMM COC[C@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001427262266 1004289198 /nfs/dbraw/zinc/28/91/98/1004289198.db2.gz UMVFPOSASDNQFF-SRVKXCTJSA-N -1 1 321.377 0.694 20 0 DCADMM CC(C)OCC(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001427482293 1004414818 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CCn1cc(C[N-]S(=O)(=O)c2cc(OC)ns2)nn1 ZINC001414309775 1005283317 /nfs/dbraw/zinc/28/33/17/1005283317.db2.gz QMPTWXCQLQPKND-UHFFFAOYSA-N -1 1 303.369 0.242 20 0 DCADMM CC(C)OCC(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001414580915 1005364490 /nfs/dbraw/zinc/36/44/90/1005364490.db2.gz CNKXZMZFTHBKDG-GFCCVEGCSA-N -1 1 321.377 0.885 20 0 DCADMM CO[C@H](C(=O)NCCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001415605623 1005574431 /nfs/dbraw/zinc/57/44/31/1005574431.db2.gz FVUSJBVTHWOWQB-ZDUSSCGKSA-N -1 1 309.366 0.646 20 0 DCADMM CCN(CCNC(=O)c1ccncn1)C(=O)c1ncccc1[O-] ZINC001415709013 1005597560 /nfs/dbraw/zinc/59/75/60/1005597560.db2.gz IJFBIBPBUSPJIJ-UHFFFAOYSA-N -1 1 315.333 0.469 20 0 DCADMM CCOCC1(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001416008264 1005647877 /nfs/dbraw/zinc/64/78/77/1005647877.db2.gz CRPWDZMJLUTKEQ-UHFFFAOYSA-N -1 1 319.361 0.545 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H](OC)C1CC1 ZINC001416208092 1005671571 /nfs/dbraw/zinc/67/15/71/1005671571.db2.gz MAPWZZWKTSLYSR-RISCZKNCSA-N -1 1 321.377 0.837 20 0 DCADMM CC(C)n1cc(Br)c(C(=O)Nc2nn[n-]n2)n1 ZINC001417650445 1005860278 /nfs/dbraw/zinc/86/02/78/1005860278.db2.gz JRAISIQDQGZIKG-UHFFFAOYSA-N -1 1 300.120 0.992 20 0 DCADMM CSc1ncc(C(=O)N2CCC3(CNC(=O)C3)CC2)c(=O)[n-]1 ZINC001417658852 1005862048 /nfs/dbraw/zinc/86/20/48/1005862048.db2.gz ODHNSZMHGZXGCH-UHFFFAOYSA-N -1 1 322.390 0.646 20 0 DCADMM C[C@@H](NC(=O)CCCc1nn[n-]n1)C(=O)Cc1ccccc1 ZINC001417685017 1005867864 /nfs/dbraw/zinc/86/78/64/1005867864.db2.gz FOCYHEILAFRHLX-LLVKDONJSA-N -1 1 301.350 0.839 20 0 DCADMM C[C@@H](CN(C)C(=O)c1cc(C(F)(F)F)ncn1)c1nn[n-]n1 ZINC001417705125 1005872163 /nfs/dbraw/zinc/87/21/63/1005872163.db2.gz RHFWVWBRXMIQFC-LURJTMIESA-N -1 1 315.259 0.884 20 0 DCADMM CCc1ocnc1C(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001417972182 1005943585 /nfs/dbraw/zinc/94/35/85/1005943585.db2.gz KALVCGCYCQRFBU-SECBINFHSA-N -1 1 320.353 0.359 20 0 DCADMM CSc1ncc(C(=O)N2CCN(C(=O)C3CC3)C2)c(=O)[n-]1 ZINC001418068565 1006000128 /nfs/dbraw/zinc/00/01/28/1006000128.db2.gz BCOJQEYVLPHCJZ-UHFFFAOYSA-N -1 1 308.363 0.556 20 0 DCADMM C[C@@H](O)C[C@H](C)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001434831683 1006021740 /nfs/dbraw/zinc/02/17/40/1006021740.db2.gz VSBLHDFSXTUHAH-DTWKUNHWSA-N -1 1 310.354 0.214 20 0 DCADMM O=C(N[C@@H](CO)CNC(=O)C1CCCCC1)c1ncccc1[O-] ZINC001451306107 1006076985 /nfs/dbraw/zinc/07/69/85/1006076985.db2.gz TUEWWTCBJUHKRD-GFCCVEGCSA-N -1 1 321.377 0.574 20 0 DCADMM COC(=O)[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccnn1C ZINC001418179452 1006136262 /nfs/dbraw/zinc/13/62/62/1006136262.db2.gz ZYIGOTXPQXEWEG-LBPRGKRZSA-N -1 1 307.281 0.909 20 0 DCADMM CSc1nc(CNC(=O)c2c[nH]c(C(N)=O)c2)cc(=O)[n-]1 ZINC001418213599 1006181836 /nfs/dbraw/zinc/18/18/36/1006181836.db2.gz JRWMHBVYJWOOCJ-UHFFFAOYSA-N -1 1 307.335 0.261 20 0 DCADMM Cc1nnc([C@@H](C)N[C@@H](C)CNC(=O)c2ncccc2[O-])o1 ZINC001418217301 1006189050 /nfs/dbraw/zinc/18/90/50/1006189050.db2.gz XDQWCMTWGJAMCD-DTWKUNHWSA-N -1 1 305.338 0.948 20 0 DCADMM CCN(C(=O)CNC(=O)c1ncccc1[O-])c1cnn(C)c1 ZINC001418235388 1006219659 /nfs/dbraw/zinc/21/96/59/1006219659.db2.gz HHQNVQZFOQKRMY-UHFFFAOYSA-N -1 1 303.322 0.304 20 0 DCADMM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)NCc1n[nH]c(=O)[n-]1 ZINC001418271159 1006279932 /nfs/dbraw/zinc/27/99/32/1006279932.db2.gz AIKLJEIRLDOXJU-YFKPBYRVSA-N -1 1 315.284 0.079 20 0 DCADMM CSCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001451654945 1006344673 /nfs/dbraw/zinc/34/46/73/1006344673.db2.gz SCLWJUWTTOCVSH-UWVGGRQHSA-N -1 1 309.391 0.869 20 0 DCADMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001436792904 1006369495 /nfs/dbraw/zinc/36/94/95/1006369495.db2.gz UULIDOHAJFFRHM-XWIASGKRSA-N -1 1 323.397 0.310 20 0 DCADMM O=C(N[C@@H](CO)CCF)c1nc[n-]c(=O)c1Br ZINC001418352123 1006417291 /nfs/dbraw/zinc/41/72/91/1006417291.db2.gz KISVMIRZLRSLJP-RXMQYKEDSA-N -1 1 308.107 0.395 20 0 DCADMM CC(C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001451954819 1006523205 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DCADMM O=C(NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1C1CC1)c1ncccc1[O-] ZINC001452335500 1006751311 /nfs/dbraw/zinc/75/13/11/1006751311.db2.gz NECGMKFDJJJJDJ-GRYCIOLGSA-N -1 1 319.361 0.040 20 0 DCADMM Cc1cocc1C(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001439469345 1006898182 /nfs/dbraw/zinc/89/81/82/1006898182.db2.gz MKNBZVFAXNFFRU-NSHDSACASA-N -1 1 305.338 0.710 20 0 DCADMM C[C@H](C(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C1CCCC1 ZINC001439557484 1006999225 /nfs/dbraw/zinc/99/92/25/1006999225.db2.gz BVZJWOROKKWJQG-WCQYABFASA-N -1 1 321.425 0.625 20 0 DCADMM CO[C@@H](C)CC(=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001452843236 1007110092 /nfs/dbraw/zinc/11/00/92/1007110092.db2.gz IPJXAVPCUJCCBE-RYUDHWBXSA-N -1 1 321.377 0.885 20 0 DCADMM C[C@@H](C(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1)C1CCCC1 ZINC001437543580 1007119209 /nfs/dbraw/zinc/11/92/09/1007119209.db2.gz TXNOFMHSRBHNQN-LLVKDONJSA-N -1 1 309.414 0.483 20 0 DCADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cccnc2NC)n[n-]1 ZINC001453159944 1007279026 /nfs/dbraw/zinc/27/90/26/1007279026.db2.gz KDFMRVOHBDHDOE-MRVPVSSYSA-N -1 1 318.337 0.909 20 0 DCADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2cccnc2NC)[n-]1 ZINC001453159944 1007279036 /nfs/dbraw/zinc/27/90/36/1007279036.db2.gz KDFMRVOHBDHDOE-MRVPVSSYSA-N -1 1 318.337 0.909 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2cccnc2NC)n1 ZINC001453159944 1007279044 /nfs/dbraw/zinc/27/90/44/1007279044.db2.gz KDFMRVOHBDHDOE-MRVPVSSYSA-N -1 1 318.337 0.909 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[C@@H](OC)C2)[n-]n1 ZINC001475199184 1017074043 /nfs/dbraw/zinc/07/40/43/1017074043.db2.gz CVGDATMHZWUOCV-HTQZYQBOSA-N -1 1 303.340 0.042 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[C@@H](OC)C2)n[n-]1 ZINC001475199184 1017074055 /nfs/dbraw/zinc/07/40/55/1017074055.db2.gz CVGDATMHZWUOCV-HTQZYQBOSA-N -1 1 303.340 0.042 20 0 DCADMM Cc1cc2[nH]ncc2cc1S(=O)(=O)[N-]N1CCCNC1=O ZINC001475204364 1017075969 /nfs/dbraw/zinc/07/59/69/1017075969.db2.gz DBMCDSZKEUXEOL-UHFFFAOYSA-N -1 1 309.351 0.480 20 0 DCADMM Cc1[nH]ccc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001438591154 1008017967 /nfs/dbraw/zinc/01/79/67/1008017967.db2.gz RYUZEJROCCCNPD-UHFFFAOYSA-N -1 1 318.381 0.979 20 0 DCADMM C[C@H](CNC(=O)C1(C(F)F)CC1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001440925733 1008121147 /nfs/dbraw/zinc/12/11/47/1008121147.db2.gz OZVVRWCKECSFIW-MRVPVSSYSA-N -1 1 317.340 0.090 20 0 DCADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001440970143 1008150101 /nfs/dbraw/zinc/15/01/01/1008150101.db2.gz PQKXFPNBNKRGBE-IJLUTSLNSA-N -1 1 309.414 0.481 20 0 DCADMM Cc1nocc1C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001441235941 1008285205 /nfs/dbraw/zinc/28/52/05/1008285205.db2.gz ZNOWBZOCPSBBBK-JTQLQIEISA-N -1 1 306.326 0.105 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CC(F)(F)C1)NCc1n[nH]c(=O)[n-]1 ZINC001442015441 1008811798 /nfs/dbraw/zinc/81/17/98/1008811798.db2.gz KQNFMQVTHMEJBY-ZETCQYMHSA-N -1 1 303.313 0.540 20 0 DCADMM Cc1ccc(CC(=O)NC[C@@H](C)NCc2n[nH]c(=O)[n-]2)cc1C ZINC001442029853 1008837615 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COCCN1CCC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000668373728 546744677 /nfs/dbraw/zinc/74/46/77/546744677.db2.gz INSDNJXNRDSMMB-SNVBAGLBSA-N -1 1 320.349 0.769 20 0 DCADMM Cc1cnc2nc(C(=O)NC3(c4nn[n-]n4)CCCC3)nn2c1 ZINC000668869276 546864808 /nfs/dbraw/zinc/86/48/08/546864808.db2.gz MIWGWRZGZYQEJM-UHFFFAOYSA-N -1 1 313.325 0.145 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccnc2c1CC(=O)N2 ZINC000668869779 546866062 /nfs/dbraw/zinc/86/60/62/546866062.db2.gz WNJOBEBALHNHGI-UHFFFAOYSA-N -1 1 313.321 0.289 20 0 DCADMM CCCNC(=O)CCC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000670384547 547073277 /nfs/dbraw/zinc/07/32/77/547073277.db2.gz CCSCNMNTVIDQEK-JTQLQIEISA-N -1 1 310.354 0.788 20 0 DCADMM O=C(NCCCN1CCCS1(=O)=O)c1cc(F)ccc1[O-] ZINC000674323219 547581920 /nfs/dbraw/zinc/58/19/20/547581920.db2.gz AIHYIEUUHGJJDO-UHFFFAOYSA-N -1 1 316.354 0.687 20 0 DCADMM O=C(NCc1n[nH]c(=O)[n-]1)Nc1cnn(-c2ccncc2)c1 ZINC000675568869 547693282 /nfs/dbraw/zinc/69/32/82/547693282.db2.gz GSHRSYYTSGLJOG-UHFFFAOYSA-N -1 1 300.282 0.413 20 0 DCADMM O=C(NCc1nn[n-]n1)C1(OCc2ccccc2)CCOCC1 ZINC000676472981 547779626 /nfs/dbraw/zinc/77/96/26/547779626.db2.gz ICJCAIWACFOHCC-UHFFFAOYSA-N -1 1 317.349 0.582 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CCn2ccnc2C1 ZINC000676695294 547805357 /nfs/dbraw/zinc/80/53/57/547805357.db2.gz JPCISEFJRTYUFN-TZMCWYRMSA-N -1 1 323.360 0.864 20 0 DCADMM CC(=O)N1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H](C)C1 ZINC000676975168 547835515 /nfs/dbraw/zinc/83/55/15/547835515.db2.gz QKQHNLSOKLXKBD-SKDRFNHKSA-N -1 1 301.350 0.945 20 0 DCADMM C[C@@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)S(C)(=O)=O ZINC000677142096 547847061 /nfs/dbraw/zinc/84/70/61/547847061.db2.gz PNKIMAZFVBSAEC-QMMMGPOBSA-N -1 1 309.347 0.086 20 0 DCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCCn2ccnc2)c1 ZINC000678470727 547975565 /nfs/dbraw/zinc/97/55/65/547975565.db2.gz KYLRKYXLMBEAIH-UHFFFAOYSA-N -1 1 324.362 0.655 20 0 DCADMM O=S(=O)([N-]CCn1ccnn1)c1cc(F)c(F)cc1F ZINC000679853490 548093813 /nfs/dbraw/zinc/09/38/13/548093813.db2.gz ANRWOOBUDWVFEZ-UHFFFAOYSA-N -1 1 306.269 0.674 20 0 DCADMM CC(C)c1nnc(NC(=O)CCC(=O)NCc2nn[n-]n2)s1 ZINC000680877699 548179791 /nfs/dbraw/zinc/17/97/91/548179791.db2.gz OAASLVYMVPCVAR-UHFFFAOYSA-N -1 1 324.370 0.210 20 0 DCADMM COc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)on1 ZINC000681090623 548202445 /nfs/dbraw/zinc/20/24/45/548202445.db2.gz UVZZCSDYNWPZLS-NSHDSACASA-N -1 1 300.278 0.716 20 0 DCADMM O=C(CCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccccn1 ZINC000681195105 548215116 /nfs/dbraw/zinc/21/51/16/548215116.db2.gz BVZLESKKDBSKGW-LLVKDONJSA-N -1 1 314.349 0.964 20 0 DCADMM O=C(NCc1nn[n-]n1)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000681730202 548285604 /nfs/dbraw/zinc/28/56/04/548285604.db2.gz KOHIRGFFDADWSO-SECBINFHSA-N -1 1 315.255 0.438 20 0 DCADMM C[C@@H]1CCCC[C@@H]1OCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736268198 598840951 /nfs/dbraw/zinc/84/09/51/598840951.db2.gz DGXRYXCAAXWDLB-SCZZXKLOSA-N -1 1 305.342 0.881 20 0 DCADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C1CCCC1 ZINC000736136156 598870406 /nfs/dbraw/zinc/87/04/06/598870406.db2.gz DIUQVHZLXSOCQS-MRVPVSSYSA-N -1 1 319.369 0.255 20 0 DCADMM C[C@@H]1CCC[C@H](NC(=O)Cn2cnnc2-c2nn[n-]n2)[C@H]1C ZINC000736258140 598875141 /nfs/dbraw/zinc/87/51/41/598875141.db2.gz FORCOVOWADVLHS-UTLUCORTSA-N -1 1 304.358 0.399 20 0 DCADMM O=S(=O)(NCCC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573784 599378420 /nfs/dbraw/zinc/37/84/20/599378420.db2.gz YRXOBUQVSGYPBP-UHFFFAOYSA-N -1 1 322.272 0.492 20 0 DCADMM O=S(=O)(NCCC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573784 599378422 /nfs/dbraw/zinc/37/84/22/599378422.db2.gz YRXOBUQVSGYPBP-UHFFFAOYSA-N -1 1 322.272 0.492 20 0 DCADMM CCNC(=O)CN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736574054 598960311 /nfs/dbraw/zinc/96/03/11/598960311.db2.gz NIEAQZSVZAPTQZ-UHFFFAOYSA-N -1 1 312.337 0.382 20 0 DCADMM CCNC(=O)CN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736574054 598960312 /nfs/dbraw/zinc/96/03/12/598960312.db2.gz NIEAQZSVZAPTQZ-UHFFFAOYSA-N -1 1 312.337 0.382 20 0 DCADMM CN(C[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)n1 ZINC000736789896 598976608 /nfs/dbraw/zinc/97/66/08/598976608.db2.gz CXYIGVQURAREJI-VIFPVBQESA-N -1 1 308.367 0.133 20 0 DCADMM CN(C[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)n1 ZINC000736789896 598976610 /nfs/dbraw/zinc/97/66/10/598976610.db2.gz CXYIGVQURAREJI-VIFPVBQESA-N -1 1 308.367 0.133 20 0 DCADMM COC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736910640 598986698 /nfs/dbraw/zinc/98/66/98/598986698.db2.gz PZGBDQREFUSTQJ-SNVBAGLBSA-N -1 1 302.294 0.039 20 0 DCADMM COC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736910640 598986700 /nfs/dbraw/zinc/98/67/00/598986700.db2.gz PZGBDQREFUSTQJ-SNVBAGLBSA-N -1 1 302.294 0.039 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCCC1 ZINC000738220805 599005251 /nfs/dbraw/zinc/00/52/51/599005251.db2.gz VALRAAIBYRQFOP-UHFFFAOYSA-N -1 1 302.294 0.041 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCCC1 ZINC000738220805 599005253 /nfs/dbraw/zinc/00/52/53/599005253.db2.gz VALRAAIBYRQFOP-UHFFFAOYSA-N -1 1 302.294 0.041 20 0 DCADMM CC(=O)NC(C)(C)c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000735476950 599009773 /nfs/dbraw/zinc/00/97/73/599009773.db2.gz YAXKUEZSYQAJEY-UHFFFAOYSA-N -1 1 314.309 0.683 20 0 DCADMM CC(=O)NC(C)(C)c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000735476950 599009775 /nfs/dbraw/zinc/00/97/75/599009775.db2.gz YAXKUEZSYQAJEY-UHFFFAOYSA-N -1 1 314.309 0.683 20 0 DCADMM CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736872096 599022497 /nfs/dbraw/zinc/02/24/97/599022497.db2.gz WYECHFCGAOBMNM-LLVKDONJSA-N -1 1 315.337 0.002 20 0 DCADMM CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736872096 599022499 /nfs/dbraw/zinc/02/24/99/599022499.db2.gz WYECHFCGAOBMNM-LLVKDONJSA-N -1 1 315.337 0.002 20 0 DCADMM CN(CCc1ccccn1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736805180 599025355 /nfs/dbraw/zinc/02/53/55/599025355.db2.gz CGDYFTHSPWBMMD-UHFFFAOYSA-N -1 1 309.333 0.971 20 0 DCADMM CN(CCc1ccccn1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736805180 599025357 /nfs/dbraw/zinc/02/53/57/599025357.db2.gz CGDYFTHSPWBMMD-UHFFFAOYSA-N -1 1 309.333 0.971 20 0 DCADMM CCCCOC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736460737 599030896 /nfs/dbraw/zinc/03/08/96/599030896.db2.gz KKVLIQYTKNFORA-UHFFFAOYSA-N -1 1 304.310 0.335 20 0 DCADMM CCCCOC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736460737 599030898 /nfs/dbraw/zinc/03/08/98/599030898.db2.gz KKVLIQYTKNFORA-UHFFFAOYSA-N -1 1 304.310 0.335 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000820668118 599053057 /nfs/dbraw/zinc/05/30/57/599053057.db2.gz PSECWJSVNVPWGO-QWRGUYRKSA-N -1 1 313.365 0.566 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000820668118 599053060 /nfs/dbraw/zinc/05/30/60/599053060.db2.gz PSECWJSVNVPWGO-QWRGUYRKSA-N -1 1 313.365 0.566 20 0 DCADMM CN(C1CCN(C)CC1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000830923331 601566299 /nfs/dbraw/zinc/56/62/99/601566299.db2.gz HILCICCBDQMLRW-UHFFFAOYSA-N -1 1 319.408 0.556 20 0 DCADMM C[C@H](CS(=O)(=O)NC[C@@]1(N(C)C)CCSC1)C(=O)[O-] ZINC000827558563 601798572 /nfs/dbraw/zinc/79/85/72/601798572.db2.gz OUJMDXDBLVELBW-KOLCDFICSA-N -1 1 310.441 0.064 20 0 DCADMM CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820138222 599194397 /nfs/dbraw/zinc/19/43/97/599194397.db2.gz RXGBYFXKIYAFAP-VIFPVBQESA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820138222 599194399 /nfs/dbraw/zinc/19/43/99/599194399.db2.gz RXGBYFXKIYAFAP-VIFPVBQESA-N -1 1 318.337 0.579 20 0 DCADMM CN(CCOc1cccc(S(C)(=O)=O)c1)CCC(=O)[O-] ZINC000738001314 597003131 /nfs/dbraw/zinc/00/31/31/597003131.db2.gz VDWSXYJZEOEUEU-UHFFFAOYSA-N -1 1 301.364 0.875 20 0 DCADMM CC[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)C(=O)[O-] ZINC000818289932 597209696 /nfs/dbraw/zinc/20/96/96/597209696.db2.gz OMDKNQXJSJZNDC-LLVKDONJSA-N -1 1 322.365 0.832 20 0 DCADMM C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)C(=O)[O-] ZINC000818034686 597451891 /nfs/dbraw/zinc/45/18/91/597451891.db2.gz SNSBXWHXANAPIH-MRVPVSSYSA-N -1 1 308.338 0.442 20 0 DCADMM C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)C(=O)[O-] ZINC000818034687 597452056 /nfs/dbraw/zinc/45/20/56/597452056.db2.gz SNSBXWHXANAPIH-QMMMGPOBSA-N -1 1 308.338 0.442 20 0 DCADMM C[C@H](OC(=O)c1cc(F)ccc1NS(C)(=O)=O)C(=O)[O-] ZINC000737715472 597498187 /nfs/dbraw/zinc/49/81/87/597498187.db2.gz ZKDWOCCHQAURQB-LURJTMIESA-N -1 1 305.283 0.827 20 0 DCADMM Cn1c(CO)nnc1Sc1cccc(F)c1-c1nnn[n-]1 ZINC000822595902 607306113 /nfs/dbraw/zinc/30/61/13/607306113.db2.gz FFJVWCDGFMNXRY-UHFFFAOYSA-N -1 1 307.314 0.778 20 0 DCADMM Cn1c(CO)nnc1Sc1cccc(F)c1-c1nn[n-]n1 ZINC000822595902 607306114 /nfs/dbraw/zinc/30/61/14/607306114.db2.gz FFJVWCDGFMNXRY-UHFFFAOYSA-N -1 1 307.314 0.778 20 0 DCADMM O=C([O-])[C@H]1CCN(CC(=O)NC(=O)NCc2cccs2)C1 ZINC000819151765 597530350 /nfs/dbraw/zinc/53/03/50/597530350.db2.gz YWPRMQNEVHPOKJ-VIFPVBQESA-N -1 1 311.363 0.480 20 0 DCADMM CC(=O)NCCN(Cc1cnc2ccccn12)[C@@H](C)C(=O)[O-] ZINC000819780468 597680979 /nfs/dbraw/zinc/68/09/79/597680979.db2.gz IGZAMUWZKDQORL-NSHDSACASA-N -1 1 304.350 0.746 20 0 DCADMM CC(C)NS(=O)(=O)CCNCc1cccc(C(=O)[O-])c1 ZINC000820029502 598203213 /nfs/dbraw/zinc/20/32/13/598203213.db2.gz CYXIJQXUIPDGLD-UHFFFAOYSA-N -1 1 300.380 0.802 20 0 DCADMM CC[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736328258 598268946 /nfs/dbraw/zinc/26/89/46/598268946.db2.gz GYYREFBAWUMGPL-DTWKUNHWSA-N -1 1 310.383 0.975 20 0 DCADMM CC[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736328258 598268948 /nfs/dbraw/zinc/26/89/48/598268948.db2.gz GYYREFBAWUMGPL-DTWKUNHWSA-N -1 1 310.383 0.975 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(NCc2nc(-c3ccncc3)no2)n1 ZINC000738413550 598341016 /nfs/dbraw/zinc/34/10/16/598341016.db2.gz VNQOEGSTNOVLLH-UHFFFAOYSA-N -1 1 322.292 0.714 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(NCc2nc(-c3ccncc3)no2)n1 ZINC000738413550 598341017 /nfs/dbraw/zinc/34/10/17/598341017.db2.gz VNQOEGSTNOVLLH-UHFFFAOYSA-N -1 1 322.292 0.714 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC000738082330 598341322 /nfs/dbraw/zinc/34/13/22/598341322.db2.gz LQJVAOWZIXMQJR-UHFFFAOYSA-N -1 1 310.321 0.499 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC000738082330 598341324 /nfs/dbraw/zinc/34/13/24/598341324.db2.gz LQJVAOWZIXMQJR-UHFFFAOYSA-N -1 1 310.321 0.499 20 0 DCADMM c1ncn(-c2ccc(CNc3nccnc3-c3nnn[n-]3)cn2)n1 ZINC000738446404 598345051 /nfs/dbraw/zinc/34/50/51/598345051.db2.gz XQAUYZCDAXWNQG-UHFFFAOYSA-N -1 1 321.308 0.245 20 0 DCADMM c1ncn(-c2ccc(CNc3nccnc3-c3nn[n-]n3)cn2)n1 ZINC000738446404 598345052 /nfs/dbraw/zinc/34/50/52/598345052.db2.gz XQAUYZCDAXWNQG-UHFFFAOYSA-N -1 1 321.308 0.245 20 0 DCADMM CC(=O)c1csc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000735503013 598408084 /nfs/dbraw/zinc/40/80/84/598408084.db2.gz FHJTWQNSMSKFGJ-UHFFFAOYSA-N -1 1 303.307 0.598 20 0 DCADMM Cc1nn(Cc2cn3ccccc3n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737524368 598473272 /nfs/dbraw/zinc/47/32/72/598473272.db2.gz YLKHEFPHJFXPNO-UHFFFAOYSA-N -1 1 322.332 0.736 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@H]2C)cc1-c1nn[n-]n1 ZINC000737187074 598530389 /nfs/dbraw/zinc/53/03/89/598530389.db2.gz OOYITMTZMARALH-XRGYYRRGSA-N -1 1 306.351 0.827 20 0 DCADMM CN1CCO[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000736866015 598543167 /nfs/dbraw/zinc/54/31/67/598543167.db2.gz BALOVPWGJDRJOJ-ZCFIWIBFSA-N -1 1 315.790 0.719 20 0 DCADMM CN1CCO[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000736866015 598543168 /nfs/dbraw/zinc/54/31/68/598543168.db2.gz BALOVPWGJDRJOJ-ZCFIWIBFSA-N -1 1 315.790 0.719 20 0 DCADMM CC(C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000819991756 599348392 /nfs/dbraw/zinc/34/83/92/599348392.db2.gz LRGGZAPAKSZLKN-UHFFFAOYSA-N -1 1 308.367 0.729 20 0 DCADMM CC(C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000819991756 599348396 /nfs/dbraw/zinc/34/83/96/599348396.db2.gz LRGGZAPAKSZLKN-UHFFFAOYSA-N -1 1 308.367 0.729 20 0 DCADMM CN(C)C(=O)Cn1cc(NCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC000821578173 599425546 /nfs/dbraw/zinc/42/55/46/599425546.db2.gz 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/nfs/dbraw/zinc/73/47/37/606734737.db2.gz YFUWJBJBQAHKCU-JTQLQIEISA-N -1 1 307.358 0.990 20 0 DCADMM CCO[C@@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC000821352158 606734738 /nfs/dbraw/zinc/73/47/38/606734738.db2.gz YFUWJBJBQAHKCU-JTQLQIEISA-N -1 1 307.358 0.990 20 0 DCADMM CC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820989284 606744520 /nfs/dbraw/zinc/74/45/20/606744520.db2.gz PUFAIDILXFXGOS-VIFPVBQESA-N -1 1 308.367 0.682 20 0 DCADMM CC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820989284 606744521 /nfs/dbraw/zinc/74/45/21/606744521.db2.gz PUFAIDILXFXGOS-VIFPVBQESA-N -1 1 308.367 0.682 20 0 DCADMM C[C@H](Sc1ccccn1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000820557500 606815322 /nfs/dbraw/zinc/81/53/22/606815322.db2.gz ZKDQQPIIRRHICH-ZETCQYMHSA-N -1 1 316.350 0.861 20 0 DCADMM C[C@@H](Sc1ccccn1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000820557479 606815629 /nfs/dbraw/zinc/81/56/29/606815629.db2.gz ZKDQQPIIRRHICH-SSDOTTSWSA-N -1 1 316.350 0.861 20 0 DCADMM C[C@H](CCNC(=O)c1ccc(-c2nnn[n-]2)s1)[S@](C)=O ZINC000820241093 607098628 /nfs/dbraw/zinc/09/86/28/607098628.db2.gz DKTRDQJIIJKVAS-GLEHDBDLSA-N -1 1 313.408 0.815 20 0 DCADMM C[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)s1)[S@](C)=O ZINC000820241093 607098630 /nfs/dbraw/zinc/09/86/30/607098630.db2.gz DKTRDQJIIJKVAS-GLEHDBDLSA-N -1 1 313.408 0.815 20 0 DCADMM COc1cc(F)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821720568 607207197 /nfs/dbraw/zinc/20/71/97/607207197.db2.gz VGUCNWUPZFAYRW-UHFFFAOYSA-N -1 1 318.272 0.245 20 0 DCADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1F ZINC000821831687 607208062 /nfs/dbraw/zinc/20/80/62/607208062.db2.gz JGQHWDHUHKTTFH-UHFFFAOYSA-N -1 1 318.272 0.245 20 0 DCADMM C[C@H]1CCC[C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820699446 607210250 /nfs/dbraw/zinc/21/02/50/607210250.db2.gz ZVSVHLUTVYMKTC-VHSXEESVSA-N -1 1 304.358 0.401 20 0 DCADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822274679 607210651 /nfs/dbraw/zinc/21/06/51/607210651.db2.gz FUGSUTIPPBUAGZ-LBPRGKRZSA-N -1 1 324.348 0.570 20 0 DCADMM CC[C@H]1CCCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820979207 607218813 /nfs/dbraw/zinc/21/88/13/607218813.db2.gz GMDZKMNWXJJJDM-JTQLQIEISA-N -1 1 304.358 0.639 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC2(CC2)c2ccccc21 ZINC000823122787 607218948 /nfs/dbraw/zinc/21/89/48/607218948.db2.gz HSFJSUDRPCMGPE-UHFFFAOYSA-N -1 1 322.332 0.537 20 0 DCADMM CC(C)C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820067818 607220492 /nfs/dbraw/zinc/22/04/92/607220492.db2.gz LVVWNEVECJROBD-SNVBAGLBSA-N -1 1 304.358 0.353 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)cc(Cl)c1 ZINC000823131073 607240468 /nfs/dbraw/zinc/24/04/68/607240468.db2.gz BWKPCNNEXTUNGS-UHFFFAOYSA-N -1 1 322.691 0.889 20 0 DCADMM CN(C)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000825879672 607855655 /nfs/dbraw/zinc/85/56/55/607855655.db2.gz NQZLXJPMSXBJOA-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(C)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000825879672 607855656 /nfs/dbraw/zinc/85/56/56/607855656.db2.gz NQZLXJPMSXBJOA-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM NC(=O)C[C@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC000826391080 607934577 /nfs/dbraw/zinc/93/45/77/607934577.db2.gz WJHCPRWULVAEON-NSHDSACASA-N -1 1 317.353 0.344 20 0 DCADMM NC(=O)C[C@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC000826391080 607934578 /nfs/dbraw/zinc/93/45/78/607934578.db2.gz WJHCPRWULVAEON-NSHDSACASA-N -1 1 317.353 0.344 20 0 DCADMM Cn1c(=O)cccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826355036 607960013 /nfs/dbraw/zinc/96/00/13/607960013.db2.gz HMDZFCBMWBVVTM-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM Cn1c(=O)cccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826355036 607960014 /nfs/dbraw/zinc/96/00/14/607960014.db2.gz HMDZFCBMWBVVTM-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000826393479 607963619 /nfs/dbraw/zinc/96/36/19/607963619.db2.gz UEBVCFZXOBQHCP-UHFFFAOYSA-N -1 1 310.277 0.008 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000826393479 607963620 /nfs/dbraw/zinc/96/36/20/607963620.db2.gz UEBVCFZXOBQHCP-UHFFFAOYSA-N -1 1 310.277 0.008 20 0 DCADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC000826502797 607989287 /nfs/dbraw/zinc/98/92/87/607989287.db2.gz KTLDLXKUELLZEA-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC000826502797 607989288 /nfs/dbraw/zinc/98/92/88/607989288.db2.gz KTLDLXKUELLZEA-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM Cn1cc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC000826359833 607989968 /nfs/dbraw/zinc/98/99/68/607989968.db2.gz RITPOTVTPUQEJM-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC000826359833 607989969 /nfs/dbraw/zinc/98/99/69/607989969.db2.gz RITPOTVTPUQEJM-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM CC(=O)NC(C)(C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823989056 607999088 /nfs/dbraw/zinc/99/90/88/607999088.db2.gz LSDBSPBPNNBAHU-UHFFFAOYSA-N -1 1 304.310 0.426 20 0 DCADMM CC1(C)C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C(=O)O1 ZINC000824790698 608075460 /nfs/dbraw/zinc/07/54/60/608075460.db2.gz PDUMWEGNIWNYSZ-LURJTMIESA-N -1 1 307.335 0.752 20 0 DCADMM CC1(C)C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C(=O)O1 ZINC000824790698 608075461 /nfs/dbraw/zinc/07/54/61/608075461.db2.gz PDUMWEGNIWNYSZ-LURJTMIESA-N -1 1 307.335 0.752 20 0 DCADMM C[S@@](=O)c1nncn1-c1snc(Cl)c1-c1nnn[n-]1 ZINC000826225014 608184509 /nfs/dbraw/zinc/18/45/09/608184509.db2.gz RCDGUDGIVJDCAX-LJQANCHMSA-N -1 1 316.759 0.295 20 0 DCADMM C[S@@](=O)c1nncn1-c1snc(Cl)c1-c1nn[n-]n1 ZINC000826225014 608184510 /nfs/dbraw/zinc/18/45/10/608184510.db2.gz RCDGUDGIVJDCAX-LJQANCHMSA-N -1 1 316.759 0.295 20 0 DCADMM CC(C)[C@@H]1C(=O)NCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824215039 608233665 /nfs/dbraw/zinc/23/36/65/608233665.db2.gz JQKYJUGNQDOBNX-LLVKDONJSA-N -1 1 321.772 0.876 20 0 DCADMM CC(C)[C@@H]1C(=O)NCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824215039 608233666 /nfs/dbraw/zinc/23/36/66/608233666.db2.gz JQKYJUGNQDOBNX-LLVKDONJSA-N -1 1 321.772 0.876 20 0 DCADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC000824961357 608341873 /nfs/dbraw/zinc/34/18/73/608341873.db2.gz BXARYVONIPXQLH-NXEZZACHSA-N -1 1 322.394 0.928 20 0 DCADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC000824961357 608341876 /nfs/dbraw/zinc/34/18/76/608341876.db2.gz BXARYVONIPXQLH-NXEZZACHSA-N -1 1 322.394 0.928 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826390983 608410651 /nfs/dbraw/zinc/41/06/51/608410651.db2.gz SOVPYKPGCQTKFC-SECBINFHSA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826390983 608410652 /nfs/dbraw/zinc/41/06/52/608410652.db2.gz SOVPYKPGCQTKFC-SECBINFHSA-N -1 1 302.342 0.139 20 0 DCADMM CN(C)C(=O)[C@@H]1CC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)O1 ZINC000825839005 608413771 /nfs/dbraw/zinc/41/37/71/608413771.db2.gz DVVWPTHZBQLHCV-ONGXEEELSA-N -1 1 317.353 0.309 20 0 DCADMM CN(C)C(=O)[C@@H]1CC[C@@H](CNc2cccc(-c3nn[n-]n3)n2)O1 ZINC000825839005 608413772 /nfs/dbraw/zinc/41/37/72/608413772.db2.gz DVVWPTHZBQLHCV-ONGXEEELSA-N -1 1 317.353 0.309 20 0 DCADMM c1cc(N2CCC(O[C@@H]3CCOC3)CC2)nnc1-c1nnn[n-]1 ZINC000826516328 608429813 /nfs/dbraw/zinc/42/98/13/608429813.db2.gz HFSHLXRZTVNUID-LLVKDONJSA-N -1 1 317.353 0.431 20 0 DCADMM c1cc(N2CCC(O[C@@H]3CCOC3)CC2)nnc1-c1nn[n-]n1 ZINC000826516328 608429816 /nfs/dbraw/zinc/42/98/16/608429816.db2.gz HFSHLXRZTVNUID-LLVKDONJSA-N -1 1 317.353 0.431 20 0 DCADMM COC(=O)[C@](C)(NCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000826098402 608458582 /nfs/dbraw/zinc/45/85/82/608458582.db2.gz DFEMCUBBYSPCMN-CQSZACIVSA-N -1 1 302.338 0.693 20 0 DCADMM COC(=O)[C@](C)(NCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000826098402 608458583 /nfs/dbraw/zinc/45/85/83/608458583.db2.gz DFEMCUBBYSPCMN-CQSZACIVSA-N -1 1 302.338 0.693 20 0 DCADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C1CC1 ZINC000824040199 608557376 /nfs/dbraw/zinc/55/73/76/608557376.db2.gz MVKQCZFPJGDFDY-MRVPVSSYSA-N -1 1 318.385 0.609 20 0 DCADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C1CC1 ZINC000824040199 608557377 /nfs/dbraw/zinc/55/73/77/608557377.db2.gz MVKQCZFPJGDFDY-MRVPVSSYSA-N -1 1 318.385 0.609 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1(C)CC1 ZINC000825923545 608560170 /nfs/dbraw/zinc/56/01/70/608560170.db2.gz LSAVSJGOMMWBPX-UHFFFAOYSA-N -1 1 304.358 0.363 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1(C)CC1 ZINC000825923545 608560172 /nfs/dbraw/zinc/56/01/72/608560172.db2.gz LSAVSJGOMMWBPX-UHFFFAOYSA-N -1 1 304.358 0.363 20 0 DCADMM COC(=O)C1CCC(C(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC000826129735 608568620 /nfs/dbraw/zinc/56/86/20/608568620.db2.gz ZEFYARGZPDPCLJ-UHFFFAOYSA-N -1 1 319.325 0.265 20 0 DCADMM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824860665 608714183 /nfs/dbraw/zinc/71/41/83/608714183.db2.gz XAHOEVPFWIYPIR-RKDXNWHRSA-N -1 1 311.367 0.467 20 0 DCADMM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000824860665 608714184 /nfs/dbraw/zinc/71/41/84/608714184.db2.gz XAHOEVPFWIYPIR-RKDXNWHRSA-N -1 1 311.367 0.467 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000824893821 608812764 /nfs/dbraw/zinc/81/27/64/608812764.db2.gz VHIDBUCMDACFSS-YUMQZZPRSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000824893821 608812766 /nfs/dbraw/zinc/81/27/66/608812766.db2.gz VHIDBUCMDACFSS-YUMQZZPRSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@@H](C1CC1)N(C(=O)Cn1ccnc1-c1nnn[n-]1)C1CC1 ZINC000824377833 608893386 /nfs/dbraw/zinc/89/33/86/608893386.db2.gz OUGWZLLHBNUUDH-VIFPVBQESA-N -1 1 301.354 0.853 20 0 DCADMM C[C@@H](C1CC1)N(C(=O)Cn1ccnc1-c1nn[n-]n1)C1CC1 ZINC000824377833 608893390 /nfs/dbraw/zinc/89/33/90/608893390.db2.gz OUGWZLLHBNUUDH-VIFPVBQESA-N -1 1 301.354 0.853 20 0 DCADMM CC(C)[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000824224808 609380438 /nfs/dbraw/zinc/38/04/38/609380438.db2.gz REMSZZQSNIYCRU-JTQLQIEISA-N -1 1 320.357 0.489 20 0 DCADMM CC(C)[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000824224808 609380439 /nfs/dbraw/zinc/38/04/39/609380439.db2.gz REMSZZQSNIYCRU-JTQLQIEISA-N -1 1 320.357 0.489 20 0 DCADMM O=C(N[C@@H](CO)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826427372 609395542 /nfs/dbraw/zinc/39/55/42/609395542.db2.gz NQDZIRCZTMDBOI-ZDUSSCGKSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(N[C@@H](CO)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826427372 609395544 /nfs/dbraw/zinc/39/55/44/609395544.db2.gz NQDZIRCZTMDBOI-ZDUSSCGKSA-N -1 1 310.317 0.725 20 0 DCADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1C[C@@H](O)C12CCC2 ZINC000867518832 667409835 /nfs/dbraw/zinc/40/98/35/667409835.db2.gz HQOLIGPZAJWAQL-VHSXEESVSA-N -1 1 310.441 0.632 20 0 DCADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)c1ncc[nH]1 ZINC000977674856 660417377 /nfs/dbraw/zinc/41/73/77/660417377.db2.gz CFZVGORNYCYZIX-JTQLQIEISA-N -1 1 315.333 0.497 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2ccco2)CCO1 ZINC000979169785 660675636 /nfs/dbraw/zinc/67/56/36/660675636.db2.gz SIVWAGQNVUCHTC-ONGXEEELSA-N -1 1 321.337 0.123 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)C=C2CCC2)CCO1 ZINC000979275420 660700667 /nfs/dbraw/zinc/70/06/67/660700667.db2.gz PTJIMBDZLRIERQ-CMPLNLGQSA-N -1 1 321.381 0.326 20 0 DCADMM Cn1cncc1CN1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001027842915 660826036 /nfs/dbraw/zinc/82/60/36/660826036.db2.gz ALHDJYHZCHVBAW-LBPRGKRZSA-N -1 1 315.377 0.915 20 0 DCADMM Cn1nncc1CN1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027844329 660828780 /nfs/dbraw/zinc/82/87/80/660828780.db2.gz QLBVNMWSFNSINH-LLVKDONJSA-N -1 1 316.365 0.310 20 0 DCADMM O=C(NC[C@@H]1CCCN1[C@H]1CCCNC1=O)c1ncccc1[O-] ZINC001027844762 660829544 /nfs/dbraw/zinc/82/95/44/660829544.db2.gz XIUYNLFGCDSNBQ-RYUDHWBXSA-N -1 1 318.377 0.260 20 0 DCADMM Cc1[nH]nc(C(=O)N2C[C@@H](CNCc3cnon3)C[C@H]2C)c1[O-] ZINC000980513784 660952285 /nfs/dbraw/zinc/95/22/85/660952285.db2.gz VJRCDGNAWHJWFE-PSASIEDQSA-N -1 1 320.353 0.447 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)CCC3CC3)CC2)nc1=O ZINC000980863762 661030515 /nfs/dbraw/zinc/03/05/15/661030515.db2.gz JHSYGBLWUNUWLM-UHFFFAOYSA-N -1 1 307.398 0.333 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C(=O)c3ccn[nH]3)C2)c1[O-] ZINC000936717996 661131396 /nfs/dbraw/zinc/13/13/96/661131396.db2.gz GCNKIXARIXIEEH-SECBINFHSA-N -1 1 318.337 0.134 20 0 DCADMM CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)C[C@H](C)COC ZINC000921379049 665298795 /nfs/dbraw/zinc/29/87/95/665298795.db2.gz PGHVAPXHGJABHF-NXEZZACHSA-N -1 1 313.441 0.483 20 0 DCADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC(C)(C)[C@H](O)C(C)C ZINC000867006849 667734654 /nfs/dbraw/zinc/73/46/54/667734654.db2.gz ICAPHXCZZHBWSQ-MGNBDDOMSA-N -1 1 314.473 0.982 20 0 DCADMM C[C@@H]1C[C@@H](C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)CCO1 ZINC000998449150 665456777 /nfs/dbraw/zinc/45/67/77/665456777.db2.gz FJSNCIDCSZJGIV-MNOVXSKESA-N -1 1 319.361 0.543 20 0 DCADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(C)(C)C ZINC000123250357 667751615 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Cn1cnnc1CN1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001007192320 690639855 /nfs/dbraw/zinc/63/98/55/690639855.db2.gz WPWPOXDABYUPLD-NSHDSACASA-N -1 1 316.365 0.310 20 0 DCADMM Cn1[n-]c(CN2CC[C@H](NC(=O)c3ccccc3F)C2)nc1=O ZINC001009944891 691135674 /nfs/dbraw/zinc/13/56/74/691135674.db2.gz IUCPVUJKVNCCLF-JTQLQIEISA-N -1 1 319.340 0.252 20 0 DCADMM Cc1cscc1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001010484289 691291579 /nfs/dbraw/zinc/29/15/79/691291579.db2.gz XDKDGNAUXGSRKT-SNVBAGLBSA-N -1 1 321.406 0.483 20 0 DCADMM CCc1occc1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001010809434 691387708 /nfs/dbraw/zinc/38/77/08/691387708.db2.gz DHPFPVQPAZTVIV-SNVBAGLBSA-N -1 1 319.365 0.268 20 0 DCADMM O=C(Cc1ccco1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001011035385 691444639 /nfs/dbraw/zinc/44/46/39/691444639.db2.gz GKPFVBSBTJTUQY-UHFFFAOYSA-N -1 1 315.329 0.907 20 0 DCADMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001015728652 692419294 /nfs/dbraw/zinc/41/92/94/692419294.db2.gz 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ZINC001018776579 693228492 /nfs/dbraw/zinc/22/84/92/693228492.db2.gz WNHZJXXLBMMIFZ-ZETCQYMHSA-N -1 1 311.729 0.761 20 0 DCADMM Cc1sccc1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001018816727 693247656 /nfs/dbraw/zinc/24/76/56/693247656.db2.gz APSBQTLAAKISJV-VIFPVBQESA-N -1 1 307.379 0.885 20 0 DCADMM O=C(C1CC2(CCC2)C1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019261429 693410526 /nfs/dbraw/zinc/41/05/26/693410526.db2.gz XGAUIMIQPODIFC-NSHDSACASA-N -1 1 305.382 0.781 20 0 DCADMM Cc1cc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)c(C)n1C ZINC001019754733 693581067 /nfs/dbraw/zinc/58/10/67/693581067.db2.gz LPQPDXQLJSMUQY-NSHDSACASA-N -1 1 318.381 0.470 20 0 DCADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H]1CCOC1 ZINC001020108900 693690014 /nfs/dbraw/zinc/69/00/14/693690014.db2.gz YBCRSOXBNPKWDB-SRVKXCTJSA-N -1 1 319.361 0.543 20 0 DCADMM CC(C)CC(=O)N1CCCC[C@@H]1CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001073934059 694803916 /nfs/dbraw/zinc/80/39/16/694803916.db2.gz FGALSNXSNWEEQH-CYBMUJFWSA-N -1 1 323.441 0.967 20 0 DCADMM O=C(c1ncccc1[O-])N1CC[C@@H]2OCCN(CCF)[C@H]2C1 ZINC001074219931 694843393 /nfs/dbraw/zinc/84/33/93/694843393.db2.gz ZFHDZNGKWOOFNJ-AAEUAGOBSA-N -1 1 309.341 0.672 20 0 DCADMM CCCC(=O)N1CCC(O)(CNC(=O)c2ncccc2[O-])CC1 ZINC001074423848 694894725 /nfs/dbraw/zinc/89/47/25/694894725.db2.gz RNCZGLNTDYRDKD-UHFFFAOYSA-N -1 1 321.377 0.671 20 0 DCADMM CCOCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C[C@H]1C ZINC001074943336 694931174 /nfs/dbraw/zinc/93/11/74/694931174.db2.gz HJNHVMVUSYOTEO-NEPJUHHUSA-N -1 1 321.377 0.933 20 0 DCADMM CNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001075722158 694971032 /nfs/dbraw/zinc/97/10/32/694971032.db2.gz HVSVBPHJDUYGFC-SDDRHHMPSA-N -1 1 318.377 0.068 20 0 DCADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)C[C@@H]1CCCO1 ZINC001076244082 695008266 /nfs/dbraw/zinc/00/82/66/695008266.db2.gz HXUOSFSFMLCKFJ-RYUDHWBXSA-N -1 1 321.377 0.981 20 0 DCADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)CC(C)(C)O ZINC001076245055 695008347 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CN(CCCNC(=O)c1cn(C)cn1)C(=O)c1ncccc1[O-] ZINC001687435087 1158462125 /nfs/dbraw/zinc/46/21/25/1158462125.db2.gz KSESPNPIHWRTHW-UHFFFAOYSA-N -1 1 317.349 0.413 20 0 DCADMM O=C(NCCCO)C1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000387059283 1158488562 /nfs/dbraw/zinc/48/85/62/1158488562.db2.gz KUQODIFTMZQOAK-UHFFFAOYSA-N -1 1 307.350 0.138 20 0 DCADMM COCCOCc1cccc(NC(=O)CCc2nn[n-]n2)c1 ZINC001626054180 1158621350 /nfs/dbraw/zinc/62/13/50/1158621350.db2.gz NVGOTQJGFXGEDD-UHFFFAOYSA-N -1 1 305.338 0.934 20 0 DCADMM CC[C@@H](CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)C(C)(C)C ZINC001404831485 1159238965 /nfs/dbraw/zinc/23/89/65/1159238965.db2.gz YTKSFXNBSNTFNV-NSHDSACASA-N -1 1 323.441 0.871 20 0 DCADMM CC(C)[C@@H](O)C(=O)N[C@@H](C)CCCNC(=O)c1ncccc1[O-] ZINC001572102773 1163027101 /nfs/dbraw/zinc/02/71/01/1163027101.db2.gz RFRFCUBWZZWLJM-SMDDNHRTSA-N -1 1 323.393 0.819 20 0 DCADMM COCC(C)(C)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001447209139 1159600734 /nfs/dbraw/zinc/60/07/34/1159600734.db2.gz PSSHMMHPJOGRKW-UHFFFAOYSA-N -1 1 311.386 0.311 20 0 DCADMM C[C@@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1)C(C)(F)F ZINC001447241281 1159603622 /nfs/dbraw/zinc/60/36/22/1159603622.db2.gz YQVWZYLKJICMHH-QMMMGPOBSA-N -1 1 317.340 0.930 20 0 DCADMM NC(=O)c1ccc(C=CC(=O)NC2(c3nn[n-]n3)CCC2)o1 ZINC001455353578 1159756925 /nfs/dbraw/zinc/75/69/25/1159756925.db2.gz ZMRLGXWOGVJUHJ-HYXAFXHYSA-N -1 1 302.294 0.100 20 0 DCADMM O=C(COc1ccsn1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001455744096 1159759486 /nfs/dbraw/zinc/75/94/86/1159759486.db2.gz NVHAOVVQHQPPJM-VIFPVBQESA-N -1 1 308.367 0.516 20 0 DCADMM O=C(c1ccc2cccnc2c1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001556348206 1159855410 /nfs/dbraw/zinc/85/54/10/1159855410.db2.gz AWJTWXQBGLVWLS-UHFFFAOYSA-N -1 1 324.344 0.872 20 0 DCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2ncc[nH]2)c1 ZINC001566777497 1160149664 /nfs/dbraw/zinc/14/96/64/1160149664.db2.gz BHYPTFBFFAUOTQ-UHFFFAOYSA-N -1 1 310.335 0.334 20 0 DCADMM Cc1cccc(OCC(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)c1 ZINC001567605250 1160438309 /nfs/dbraw/zinc/43/83/09/1160438309.db2.gz VCAHSZFOZYKHES-UHFFFAOYSA-N -1 1 319.365 0.446 20 0 DCADMM CO[C@](C)([C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O)C1CC1 ZINC001570331063 1161561284 /nfs/dbraw/zinc/56/12/84/1161561284.db2.gz LLMGBKJKMKYXFF-MEBBXXQBSA-N -1 1 309.366 0.247 20 0 DCADMM CC(C)(C)c1nc(CNC(=O)N2CC([C@@H](F)C(=O)[O-])C2)n[nH]1 ZINC001573475636 1163446138 /nfs/dbraw/zinc/44/61/38/1163446138.db2.gz UZFGIJZWMGAJFL-SECBINFHSA-N -1 1 313.333 0.666 20 0 DCADMM C[C@H](NC(=O)CCN1CC[C@@H](F)C1)C1(C(=O)[O-])CCOCC1 ZINC001573561851 1163500119 /nfs/dbraw/zinc/50/01/19/1163500119.db2.gz JEGYIUALSHRSNZ-NWDGAFQWSA-N -1 1 316.373 0.806 20 0 DCADMM CC1(C)CC[C@@H](O)[C@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2)C1 ZINC001573608732 1163515587 /nfs/dbraw/zinc/51/55/87/1163515587.db2.gz FIHTVHGTMBNNLJ-YNEHKIRRSA-N -1 1 312.410 0.839 20 0 DCADMM C[C@H]1CCNC(=O)[C@H]1NCc1cnc2c(C(=O)[O-])cnn2c1 ZINC001573646836 1163520913 /nfs/dbraw/zinc/52/09/13/1163520913.db2.gz VREGPQCLZJZCOG-KWQFWETISA-N -1 1 303.322 0.042 20 0 DCADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1nc(C(=O)[O-])n[nH]1 ZINC001573645898 1163521492 /nfs/dbraw/zinc/52/14/92/1163521492.db2.gz LUTJITSYJGOJGC-LHLIQPBNSA-N -1 1 304.310 0.208 20 0 DCADMM C[C@H](NC(=O)c1[nH]nc2c1C[C@@H](C)CC2)c1nc(C(=O)[O-])n[nH]1 ZINC001573645229 1163521769 /nfs/dbraw/zinc/52/17/69/1163521769.db2.gz AFQZOLRTNONJMX-BQBZGAKWSA-N -1 1 318.337 0.842 20 0 DCADMM C[C@H]1CN(S(=O)(=O)CCC(=O)[O-])CCN1C1CCCC1 ZINC001573654385 1163522486 /nfs/dbraw/zinc/52/24/86/1163522486.db2.gz IWSYHEPCOGXEBF-NSHDSACASA-N -1 1 304.412 0.740 20 0 DCADMM CCc1[nH]cnc1C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1 ZINC001573837888 1163563725 /nfs/dbraw/zinc/56/37/25/1163563725.db2.gz RGWCHCTUQAAHFW-UHFFFAOYSA-N -1 1 308.338 0.025 20 0 DCADMM CN(CCCC(=O)N1CCC[C@H](Cc2nn[nH]n2)C1)C(=O)[O-] ZINC001573870237 1163574028 /nfs/dbraw/zinc/57/40/28/1163574028.db2.gz HYYBCRJXXULTDC-SNVBAGLBSA-N -1 1 310.358 0.371 20 0 DCADMM COC(=O)c1cc(C[NH2+][C@H](C)c2nc(C(=O)[O-])n[n-]2)n(C)c1C ZINC001573937713 1163592558 /nfs/dbraw/zinc/59/25/58/1163592558.db2.gz DFMDOXPEEQNCIZ-SSDOTTSWSA-N -1 1 321.337 0.787 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001573951094 1163599576 /nfs/dbraw/zinc/59/95/76/1163599576.db2.gz KBVIUFNZFMMRRC-VHSXEESVSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001573951094 1163599579 /nfs/dbraw/zinc/59/95/79/1163599579.db2.gz KBVIUFNZFMMRRC-VHSXEESVSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573958734 1163603776 /nfs/dbraw/zinc/60/37/76/1163603776.db2.gz LVKFMAAVJIRAQO-CQSZACIVSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573958734 1163603779 /nfs/dbraw/zinc/60/37/79/1163603779.db2.gz LVKFMAAVJIRAQO-CQSZACIVSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573958733 1163604101 /nfs/dbraw/zinc/60/41/01/1163604101.db2.gz LVKFMAAVJIRAQO-AWEZNQCLSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573958733 1163604114 /nfs/dbraw/zinc/60/41/14/1163604114.db2.gz LVKFMAAVJIRAQO-AWEZNQCLSA-N -1 1 316.369 0.398 20 0 DCADMM CC(C)[C@H](C)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574003600 1163621666 /nfs/dbraw/zinc/62/16/66/1163621666.db2.gz HXUPUMUNAZKALT-JTQLQIEISA-N -1 1 318.385 0.501 20 0 DCADMM CC(C)[C@H](C)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574003600 1163621670 /nfs/dbraw/zinc/62/16/70/1163621670.db2.gz HXUPUMUNAZKALT-JTQLQIEISA-N -1 1 318.385 0.501 20 0 DCADMM CSC[C@H](NC(=O)c1ccc(Cc2nc[nH]n2)cc1)C(=O)[O-] ZINC001574096952 1163633852 /nfs/dbraw/zinc/63/38/52/1163633852.db2.gz VKFPNJDPZZIBNO-NSHDSACASA-N -1 1 320.374 0.942 20 0 DCADMM C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(OCC(=O)[O-])cc1 ZINC001574105664 1163636695 /nfs/dbraw/zinc/63/66/95/1163636695.db2.gz VLNJHSAGQMDHBW-MFKMUULPSA-N -1 1 313.375 0.673 20 0 DCADMM Cc1cc(NC(=O)[C@@H]2CCCc3n[nH]nc32)n(CC(=O)[O-])n1 ZINC001574141370 1163647414 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O=C([O-])C[C@@H](O)C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC001574364103 1163705457 /nfs/dbraw/zinc/70/54/57/1163705457.db2.gz WBSMNWHTAGXKAY-GHMZBOCLSA-N -1 1 304.306 0.040 20 0 DCADMM CC(C)[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001574393163 1163713994 /nfs/dbraw/zinc/71/39/94/1163713994.db2.gz COINBEUDFSVMKZ-ONGXEEELSA-N -1 1 322.394 0.832 20 0 DCADMM CC(C)[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001574393163 1163714005 /nfs/dbraw/zinc/71/40/05/1163714005.db2.gz COINBEUDFSVMKZ-ONGXEEELSA-N -1 1 322.394 0.832 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001574415921 1163717820 /nfs/dbraw/zinc/71/78/20/1163717820.db2.gz XLMZNKVVTFAUSW-VIFPVBQESA-N -1 1 304.310 0.106 20 0 DCADMM O=C([O-])c1nn(-c2ccccc2)cc1CN(CCO)CCCO ZINC001574423144 1163720072 /nfs/dbraw/zinc/72/00/72/1163720072.db2.gz JMBLKWYEKNSEPE-UHFFFAOYSA-N -1 1 319.361 0.747 20 0 DCADMM C[C@H](CCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C)CC1 ZINC001574672098 1163739315 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C[C@H](CNC(=O)C(C)(C)F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574829413 1163761940 /nfs/dbraw/zinc/76/19/40/1163761940.db2.gz NMVYUMQPIUOJGF-QMMMGPOBSA-N -1 1 322.348 0.569 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574833067 1163763515 /nfs/dbraw/zinc/76/35/15/1163763515.db2.gz ZOIXZSNKKADTCD-VIFPVBQESA-N -1 1 318.385 0.867 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574833067 1163763522 /nfs/dbraw/zinc/76/35/22/1163763522.db2.gz ZOIXZSNKKADTCD-VIFPVBQESA-N -1 1 318.385 0.867 20 0 DCADMM C[C@@H](C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574835018 1163767242 /nfs/dbraw/zinc/76/72/42/1163767242.db2.gz DJXOUYCPGJLIIA-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574835018 1163767250 /nfs/dbraw/zinc/76/72/50/1163767250.db2.gz DJXOUYCPGJLIIA-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)C1=CCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574854891 1163772370 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C[C@H](CNC(=O)CCCF)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574904229 1163793429 /nfs/dbraw/zinc/79/34/29/1163793429.db2.gz JCTBEJAWTZKDFZ-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@H](CNC(=O)CCCF)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574904229 1163793438 /nfs/dbraw/zinc/79/34/38/1163793438.db2.gz JCTBEJAWTZKDFZ-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM CO[C@H]1CCC[C@@H]1C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001575058719 1163872065 /nfs/dbraw/zinc/87/20/65/1163872065.db2.gz MYRGHTIDXRHYMT-JQWIXIFHSA-N -1 1 307.350 0.448 20 0 DCADMM CC1(C)CO[C@@H](CC(=O)NCCNC(=O)c2ncccc2[O-])C1 ZINC001575059984 1163874255 /nfs/dbraw/zinc/87/42/55/1163874255.db2.gz XDWVATZYXLTCNP-NSHDSACASA-N -1 1 321.377 0.838 20 0 DCADMM C[C@@](O)(CNc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001575473712 1164026449 /nfs/dbraw/zinc/02/64/49/1164026449.db2.gz MWJRSQLVQLKXKS-CQSZACIVSA-N -1 1 315.312 0.537 20 0 DCADMM CC1(CS(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001575803272 1164158402 /nfs/dbraw/zinc/15/84/02/1164158402.db2.gz 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CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001576406999 1164328255 /nfs/dbraw/zinc/32/82/55/1164328255.db2.gz KHVQMTUGZIVDIH-AOOOYVTPSA-N -1 1 314.353 0.246 20 0 DCADMM CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001576406999 1164328258 /nfs/dbraw/zinc/32/82/58/1164328258.db2.gz KHVQMTUGZIVDIH-AOOOYVTPSA-N -1 1 314.353 0.246 20 0 DCADMM CCC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576412003 1164332733 /nfs/dbraw/zinc/33/27/33/1164332733.db2.gz RHMFDAHKGAKODT-VIFPVBQESA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576412003 1164332740 /nfs/dbraw/zinc/33/27/40/1164332740.db2.gz RHMFDAHKGAKODT-VIFPVBQESA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001576444908 1164348089 /nfs/dbraw/zinc/34/80/89/1164348089.db2.gz MVKYNCJISZPKMV-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001576444908 1164348097 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CC[C@@H](C)C(=O)N(CC)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576561196 1164391248 /nfs/dbraw/zinc/39/12/48/1164391248.db2.gz DTQKUFWIYQXEOS-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576572626 1164399322 /nfs/dbraw/zinc/39/93/22/1164399322.db2.gz OOGJJFYJXRWGBT-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001576589757 1164406061 /nfs/dbraw/zinc/40/60/61/1164406061.db2.gz NQVXIHNFMBHSSK-VHSXEESVSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001576589757 1164406066 /nfs/dbraw/zinc/40/60/66/1164406066.db2.gz NQVXIHNFMBHSSK-VHSXEESVSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576846239 1164490413 /nfs/dbraw/zinc/49/04/13/1164490413.db2.gz MWGASOHLJBSPIO-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576846239 1164490423 /nfs/dbraw/zinc/49/04/23/1164490423.db2.gz MWGASOHLJBSPIO-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM CN(Cc1c[nH]nn1)C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001576857831 1164499405 /nfs/dbraw/zinc/49/94/05/1164499405.db2.gz HPTQFHIGSGNFTI-UHFFFAOYSA-N -1 1 300.278 0.420 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576923563 1164534209 /nfs/dbraw/zinc/53/42/09/1164534209.db2.gz DIHPFMBZKLVQMY-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576923563 1164534217 /nfs/dbraw/zinc/53/42/17/1164534217.db2.gz DIHPFMBZKLVQMY-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576942524 1164548817 /nfs/dbraw/zinc/54/88/17/1164548817.db2.gz RBUSRHQLNXFMKU-RKDXNWHRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576942524 1164548820 /nfs/dbraw/zinc/54/88/20/1164548820.db2.gz RBUSRHQLNXFMKU-RKDXNWHRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576965614 1164560162 /nfs/dbraw/zinc/56/01/62/1164560162.db2.gz KKVLDZZTQIHVSB-DTWKUNHWSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576965614 1164560170 /nfs/dbraw/zinc/56/01/70/1164560170.db2.gz KKVLDZZTQIHVSB-DTWKUNHWSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576966865 1164562888 /nfs/dbraw/zinc/56/28/88/1164562888.db2.gz YURWKQHVRALLST-IUCAKERBSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576966865 1164562895 /nfs/dbraw/zinc/56/28/95/1164562895.db2.gz YURWKQHVRALLST-IUCAKERBSA-N -1 1 322.348 0.630 20 0 DCADMM CCCC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001577184876 1164625678 /nfs/dbraw/zinc/62/56/78/1164625678.db2.gz OFIYCLVPKCEOEA-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001577184876 1164625682 /nfs/dbraw/zinc/62/56/82/1164625682.db2.gz OFIYCLVPKCEOEA-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1cn[nH]n1 ZINC001577186597 1164627532 /nfs/dbraw/zinc/62/75/32/1164627532.db2.gz UQDGSKJJRCINKI-KOLCDFICSA-N -1 1 302.338 0.298 20 0 DCADMM CCCC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001577198278 1164630735 /nfs/dbraw/zinc/63/07/35/1164630735.db2.gz SNGMTXGLBFLDDM-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001577198278 1164630736 /nfs/dbraw/zinc/63/07/36/1164630736.db2.gz SNGMTXGLBFLDDM-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001577198653 1164631760 /nfs/dbraw/zinc/63/17/60/1164631760.db2.gz XQEPRJMNFMGNQL-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001577198653 1164631762 /nfs/dbraw/zinc/63/17/62/1164631762.db2.gz XQEPRJMNFMGNQL-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577426459 1164690325 /nfs/dbraw/zinc/69/03/25/1164690325.db2.gz MYAZNFYFFCANMG-MGCOHNPYSA-N -1 1 316.369 0.328 20 0 DCADMM CCCn1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001577771513 1164787738 /nfs/dbraw/zinc/78/77/38/1164787738.db2.gz UPFBLIPBDOWXTC-UHFFFAOYSA-N -1 1 313.325 0.193 20 0 DCADMM CCCn1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001577771513 1164787747 /nfs/dbraw/zinc/78/77/47/1164787747.db2.gz UPFBLIPBDOWXTC-UHFFFAOYSA-N -1 1 313.325 0.193 20 0 DCADMM CCCn1cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001577773172 1164787940 /nfs/dbraw/zinc/78/79/40/1164787940.db2.gz DDFFUIHEVRLSLK-UHFFFAOYSA-N -1 1 313.325 0.193 20 0 DCADMM CCCn1cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001577773172 1164787946 /nfs/dbraw/zinc/78/79/46/1164787946.db2.gz DDFFUIHEVRLSLK-UHFFFAOYSA-N -1 1 313.325 0.193 20 0 DCADMM O=C(c1ccc2oc(=S)[n-]c2c1)N1CC(O)(c2c[nH]nn2)C1 ZINC001578039108 1164903952 /nfs/dbraw/zinc/90/39/52/1164903952.db2.gz YHUPFGPPBIJGFY-UHFFFAOYSA-N -1 1 317.330 0.578 20 0 DCADMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)C(C)(C)F ZINC001578138932 1164933545 /nfs/dbraw/zinc/93/35/45/1164933545.db2.gz NQNLQZGQBWOIQA-UHFFFAOYSA-N -1 1 322.348 0.665 20 0 DCADMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)C(C)(C)F ZINC001578138932 1164933549 /nfs/dbraw/zinc/93/35/49/1164933549.db2.gz NQNLQZGQBWOIQA-UHFFFAOYSA-N -1 1 322.348 0.665 20 0 DCADMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)[C@H]1C[C@H]1C ZINC001578145881 1164936387 /nfs/dbraw/zinc/93/63/87/1164936387.db2.gz ZLRCSZCPGISYHP-ZJUUUORDSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)[C@H]1C[C@H]1C ZINC001578145881 1164936398 /nfs/dbraw/zinc/93/63/98/1164936398.db2.gz ZLRCSZCPGISYHP-ZJUUUORDSA-N -1 1 316.369 0.573 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001578249570 1164963170 /nfs/dbraw/zinc/96/31/70/1164963170.db2.gz NHIDSKPLXMBXPT-NXEZZACHSA-N -1 1 316.321 0.077 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001578249570 1164963176 /nfs/dbraw/zinc/96/31/76/1164963176.db2.gz NHIDSKPLXMBXPT-NXEZZACHSA-N -1 1 316.321 0.077 20 0 DCADMM CCOC(=O)[C@@H]1[C@@H]2CCN(c3ncncc3-c3nn[n-]n3)C[C@@H]21 ZINC001578250803 1164964077 /nfs/dbraw/zinc/96/40/77/1164964077.db2.gz JJUNOJKQLLAOHR-DVVUODLYSA-N -1 1 315.337 0.292 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001578440127 1165016711 /nfs/dbraw/zinc/01/67/11/1165016711.db2.gz MARRXKJBMWBNTM-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001578440127 1165016724 /nfs/dbraw/zinc/01/67/24/1165016724.db2.gz MARRXKJBMWBNTM-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CCc1nc(N[C@@H](C)CNC(=O)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001578625093 1165072553 /nfs/dbraw/zinc/07/25/53/1165072553.db2.gz AKJVIQPOGPPXAL-QMMMGPOBSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(N[C@@H](C)CNC(=O)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001578625093 1165072561 /nfs/dbraw/zinc/07/25/61/1165072561.db2.gz AKJVIQPOGPPXAL-QMMMGPOBSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(NCCNC(=O)C(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001578665774 1165084450 /nfs/dbraw/zinc/08/44/50/1165084450.db2.gz ZRRRONPMJOLRAL-UHFFFAOYSA-N -1 1 318.385 0.793 20 0 DCADMM CCc1nc(NCCNC(=O)C(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001578665774 1165084457 /nfs/dbraw/zinc/08/44/57/1165084457.db2.gz ZRRRONPMJOLRAL-UHFFFAOYSA-N -1 1 318.385 0.793 20 0 DCADMM CN(C)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001578997708 1165183585 /nfs/dbraw/zinc/18/35/85/1165183585.db2.gz DIBOCUXKCNYCOE-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CN(C)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001578997708 1165183590 /nfs/dbraw/zinc/18/35/90/1165183590.db2.gz DIBOCUXKCNYCOE-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CN(CCNC(=O)C1(C)CCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001579161103 1165227456 /nfs/dbraw/zinc/22/74/56/1165227456.db2.gz BKFZBFPEQZFEJA-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)C1(C)CCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001579161103 1165227462 /nfs/dbraw/zinc/22/74/62/1165227462.db2.gz BKFZBFPEQZFEJA-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)[C@@H]1CC1(C)C ZINC001579210870 1165237602 /nfs/dbraw/zinc/23/76/02/1165237602.db2.gz JEDLHRCRRVATGB-VIFPVBQESA-N -1 1 316.369 0.573 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)[C@@H]1CC1(C)C ZINC001579210870 1165237611 /nfs/dbraw/zinc/23/76/11/1165237611.db2.gz JEDLHRCRRVATGB-VIFPVBQESA-N -1 1 316.369 0.573 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)c1cc[nH]c1 ZINC001579211480 1165239045 /nfs/dbraw/zinc/23/90/45/1165239045.db2.gz HSLVQRSRYAMLRN-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)c1cc[nH]c1 ZINC001579211480 1165239052 /nfs/dbraw/zinc/23/90/52/1165239052.db2.gz HSLVQRSRYAMLRN-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)CC(C)(C)C ZINC001579216833 1165239814 /nfs/dbraw/zinc/23/98/14/1165239814.db2.gz MIEIPERXTQNEIH-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)CC(C)(C)C ZINC001579216833 1165239823 /nfs/dbraw/zinc/23/98/23/1165239823.db2.gz MIEIPERXTQNEIH-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)C1(C)CCC1 ZINC001579217405 1165241675 /nfs/dbraw/zinc/24/16/75/1165241675.db2.gz ICCVWTFTIADONX-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)C1(C)CCC1 ZINC001579217405 1165241682 /nfs/dbraw/zinc/24/16/82/1165241682.db2.gz ICCVWTFTIADONX-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(Cc1cccc(=O)[nH]1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579258156 1165252135 /nfs/dbraw/zinc/25/21/35/1165252135.db2.gz ZHMMHJANRCCNGX-UHFFFAOYSA-N -1 1 300.278 0.833 20 0 DCADMM CN(Cc1cccc(=O)[nH]1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579258156 1165252142 /nfs/dbraw/zinc/25/21/42/1165252142.db2.gz ZHMMHJANRCCNGX-UHFFFAOYSA-N -1 1 300.278 0.833 20 0 DCADMM CN(Cc1nc(-c2nnn[n-]2)cs1)C1CCS(=O)CC1 ZINC001579267258 1165255078 /nfs/dbraw/zinc/25/50/78/1165255078.db2.gz FTWQQGQIZKLIFF-UHFFFAOYSA-N -1 1 312.424 0.666 20 0 DCADMM CN(Cc1nc(-c2nn[n-]n2)cs1)C1CCS(=O)CC1 ZINC001579267258 1165255085 /nfs/dbraw/zinc/25/50/85/1165255085.db2.gz FTWQQGQIZKLIFF-UHFFFAOYSA-N -1 1 312.424 0.666 20 0 DCADMM COC(=O)c1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001579487449 1165327741 /nfs/dbraw/zinc/32/77/41/1165327741.db2.gz KMLNFRUQYBCFNB-UHFFFAOYSA-N -1 1 313.277 0.629 20 0 DCADMM COC(=O)c1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001579487449 1165327750 /nfs/dbraw/zinc/32/77/50/1165327750.db2.gz KMLNFRUQYBCFNB-UHFFFAOYSA-N -1 1 313.277 0.629 20 0 DCADMM COC(=O)c1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001579486426 1165329107 /nfs/dbraw/zinc/32/91/07/1165329107.db2.gz ZSDVYZXKOUOFKM-UHFFFAOYSA-N -1 1 323.316 0.964 20 0 DCADMM COC(=O)c1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001579486426 1165329109 /nfs/dbraw/zinc/32/91/09/1165329109.db2.gz ZSDVYZXKOUOFKM-UHFFFAOYSA-N -1 1 323.316 0.964 20 0 DCADMM COC(=O)c1oc(CNc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC001579493061 1165333627 /nfs/dbraw/zinc/33/36/27/1165333627.db2.gz HXRMALNUTMFMMH-UHFFFAOYSA-N -1 1 314.305 0.984 20 0 DCADMM COC(=O)c1oc(CNc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC001579493061 1165333633 /nfs/dbraw/zinc/33/36/33/1165333633.db2.gz HXRMALNUTMFMMH-UHFFFAOYSA-N -1 1 314.305 0.984 20 0 DCADMM COC(=O)c1occc1Cn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001579493843 1165334029 /nfs/dbraw/zinc/33/40/29/1165334029.db2.gz WHWUMNIYCHNGAP-UHFFFAOYSA-N -1 1 315.289 0.765 20 0 DCADMM COC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C1CC1 ZINC001579697752 1165380026 /nfs/dbraw/zinc/38/00/26/1165380026.db2.gz PTCFWARRORPKSL-SNVBAGLBSA-N -1 1 318.337 0.431 20 0 DCADMM COCCN(C)c1nnc(C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001579793079 1165396382 /nfs/dbraw/zinc/39/63/82/1165396382.db2.gz PUPFAXVBHYTWKB-UHFFFAOYSA-N -1 1 318.341 0.491 20 0 DCADMM COCCN(C)c1nnc(C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001579793079 1165396388 /nfs/dbraw/zinc/39/63/88/1165396388.db2.gz PUPFAXVBHYTWKB-UHFFFAOYSA-N -1 1 318.341 0.491 20 0 DCADMM CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001579850604 1165410983 /nfs/dbraw/zinc/41/09/83/1165410983.db2.gz YGDCPWOYTMFBIT-RKDXNWHRSA-N -1 1 324.366 0.108 20 0 DCADMM COc1cccnc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001580086640 1165498037 /nfs/dbraw/zinc/49/80/37/1165498037.db2.gz NAYWFFGLBISIPK-UHFFFAOYSA-N -1 1 300.282 0.554 20 0 DCADMM COc1ncc(NC(=O)N[C@@H](CO)C2CC2)cc1-c1nn[n-]n1 ZINC001580136021 1165511930 /nfs/dbraw/zinc/51/19/30/1165511930.db2.gz IVGYFMVLISKSAK-JTQLQIEISA-N -1 1 319.325 0.163 20 0 DCADMM COc1ncc(NC(=O)NC[C@H](C)CCO)cc1-c1nn[n-]n1 ZINC001580135952 1165512061 /nfs/dbraw/zinc/51/20/61/1165512061.db2.gz GOTNLFJQDSLFCA-MRVPVSSYSA-N -1 1 321.341 0.410 20 0 DCADMM COc1ncc(NC(=O)c2csc(=O)[nH]2)cc1-c1nn[n-]n1 ZINC001580140010 1165515753 /nfs/dbraw/zinc/51/57/53/1165515753.db2.gz QQDBQJFONGDUHS-UHFFFAOYSA-N -1 1 319.306 0.685 20 0 DCADMM CS[C@@H](C)C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001580191740 1165533137 /nfs/dbraw/zinc/53/31/37/1165533137.db2.gz FCVPBJHRWRHWHR-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001580191740 1165533141 /nfs/dbraw/zinc/53/31/41/1165533141.db2.gz FCVPBJHRWRHWHR-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1=CCCC1 ZINC001580291128 1165559987 /nfs/dbraw/zinc/55/99/87/1165559987.db2.gz WCIOLWFXOLKHCW-VIFPVBQESA-N -1 1 314.353 0.106 20 0 DCADMM C[C@@H]1CC[C@@H](O)CN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580315496 1165568907 /nfs/dbraw/zinc/56/89/07/1165568907.db2.gz QZRGHNIUJIIKQS-RKDXNWHRSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@@H]1CC[C@@H](O)CN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580315496 1165568910 /nfs/dbraw/zinc/56/89/10/1165568910.db2.gz QZRGHNIUJIIKQS-RKDXNWHRSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CC12CC2 ZINC001580427940 1165600534 /nfs/dbraw/zinc/60/05/34/1165600534.db2.gz XZWCCGDLKUSLGN-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CC12CC2 ZINC001580427940 1165600540 /nfs/dbraw/zinc/60/05/40/1165600540.db2.gz XZWCCGDLKUSLGN-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001580452573 1165604911 /nfs/dbraw/zinc/60/49/11/1165604911.db2.gz TZACSVSITRTYOG-GUBZILKMSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001580452573 1165604916 /nfs/dbraw/zinc/60/49/16/1165604916.db2.gz TZACSVSITRTYOG-GUBZILKMSA-N -1 1 314.353 0.008 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCOC[C@H]1C ZINC001580600795 1165651085 /nfs/dbraw/zinc/65/10/85/1165651085.db2.gz IODVDMVIPNQSAO-PSASIEDQSA-N -1 1 318.337 0.431 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](CCO)C(C)C ZINC001580601242 1165651606 /nfs/dbraw/zinc/65/16/06/1165651606.db2.gz KUUYIOZDKJZFPB-SNVBAGLBSA-N -1 1 320.353 0.413 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC1CCOCC1 ZINC001580602313 1165652486 /nfs/dbraw/zinc/65/24/86/1165652486.db2.gz GXYDKBHBKBOUDM-UHFFFAOYSA-N -1 1 318.337 0.432 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCc2ccco2)c1 ZINC001580608654 1165655702 /nfs/dbraw/zinc/65/57/02/1165655702.db2.gz FQFVZUXPAMPPQB-UHFFFAOYSA-N -1 1 314.305 0.246 20 0 DCADMM Cc1ccc(CC(=O)NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001581190547 1165794081 /nfs/dbraw/zinc/79/40/81/1165794081.db2.gz XMLMCSNRZUBPPV-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1ccc(CC(=O)NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001581190547 1165794089 /nfs/dbraw/zinc/79/40/89/1165794089.db2.gz XMLMCSNRZUBPPV-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1ccn(C[C@H]2CCNC(=O)CC2)c(=O)c1-c1nn[n-]n1 ZINC001581274913 1165807856 /nfs/dbraw/zinc/80/78/56/1165807856.db2.gz FOYXZWKUDPQCLY-SNVBAGLBSA-N -1 1 302.338 0.253 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2CCCn3ncnc32)c1-c1nn[n-]n1 ZINC001581402755 1165821549 /nfs/dbraw/zinc/82/15/49/1165821549.db2.gz IZMPOEYAIPFJPJ-SSDOTTSWSA-N -1 1 314.313 0.006 20 0 DCADMM Cc1[nH+]ccn1CC(=O)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581565303 1165843140 /nfs/dbraw/zinc/84/31/40/1165843140.db2.gz ISBZGNOYMWZJNA-UHFFFAOYSA-N -1 1 315.312 0.827 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC001581609919 1165848986 /nfs/dbraw/zinc/84/89/86/1165848986.db2.gz ZTJZQDLCNYCXLL-UHFFFAOYSA-N -1 1 317.284 0.969 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC001581609919 1165848994 /nfs/dbraw/zinc/84/89/94/1165848994.db2.gz ZTJZQDLCNYCXLL-UHFFFAOYSA-N -1 1 317.284 0.969 20 0 DCADMM Cc1nnc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC001581609341 1165849327 /nfs/dbraw/zinc/84/93/27/1165849327.db2.gz GYNTXTATSXKMDN-UHFFFAOYSA-N -1 1 301.270 0.275 20 0 DCADMM Cc1nnc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001581609341 1165849333 /nfs/dbraw/zinc/84/93/33/1165849333.db2.gz GYNTXTATSXKMDN-UHFFFAOYSA-N -1 1 301.270 0.275 20 0 DCADMM Cc1nsc(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1-c1nnn[n-]1 ZINC001581686442 1165859640 /nfs/dbraw/zinc/85/96/40/1165859640.db2.gz ASZWXJLCZUIIOM-KUIGQIJESA-N -1 1 318.362 0.994 20 0 DCADMM Cc1nsc(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1-c1nn[n-]n1 ZINC001581686442 1165859648 /nfs/dbraw/zinc/85/96/48/1165859648.db2.gz ASZWXJLCZUIIOM-KUIGQIJESA-N -1 1 318.362 0.994 20 0 DCADMM Cc1ocnc1CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581738419 1165861840 /nfs/dbraw/zinc/86/18/40/1165861840.db2.gz FEEXVDQIIHGPSN-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1ocnc1CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581738419 1165861846 /nfs/dbraw/zinc/86/18/46/1165861846.db2.gz FEEXVDQIIHGPSN-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM O=C(CC1(O)CCCCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581965579 1165924529 /nfs/dbraw/zinc/92/45/29/1165924529.db2.gz MVKYQQWVNDVGIJ-UHFFFAOYSA-N -1 1 316.365 0.963 20 0 DCADMM O=C(CC1(O)CCCCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581965579 1165924537 /nfs/dbraw/zinc/92/45/37/1165924537.db2.gz MVKYQQWVNDVGIJ-UHFFFAOYSA-N -1 1 316.365 0.963 20 0 DCADMM O=C(CCc1cncs1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582077689 1165951105 /nfs/dbraw/zinc/95/11/05/1165951105.db2.gz CHQOBSJZLDECFZ-UHFFFAOYSA-N -1 1 315.362 0.967 20 0 DCADMM O=C(CCc1cncs1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582077689 1165951108 /nfs/dbraw/zinc/95/11/08/1165951108.db2.gz CHQOBSJZLDECFZ-UHFFFAOYSA-N -1 1 315.362 0.967 20 0 DCADMM O=C(COc1cc(F)cc(F)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582127712 1165962946 /nfs/dbraw/zinc/96/29/46/1165962946.db2.gz WZWXAZPFINPCQZ-UHFFFAOYSA-N -1 1 321.247 0.886 20 0 DCADMM O=C(COc1cc(F)cc(F)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582127712 1165962950 /nfs/dbraw/zinc/96/29/50/1165962950.db2.gz WZWXAZPFINPCQZ-UHFFFAOYSA-N -1 1 321.247 0.886 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001582137603 1165965332 /nfs/dbraw/zinc/96/53/32/1165965332.db2.gz DGHHGXOUDLYIHO-VHSXEESVSA-N -1 1 320.303 0.918 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001582137603 1165965340 /nfs/dbraw/zinc/96/53/40/1165965340.db2.gz DGHHGXOUDLYIHO-VHSXEESVSA-N -1 1 320.303 0.918 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cnnc(Cl)c1 ZINC001582139187 1165967644 /nfs/dbraw/zinc/96/76/44/1165967644.db2.gz RBNXSQDUESMPCX-UHFFFAOYSA-N -1 1 316.712 0.886 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cnnc(Cl)c1 ZINC001582139187 1165967649 /nfs/dbraw/zinc/96/76/49/1165967649.db2.gz RBNXSQDUESMPCX-UHFFFAOYSA-N -1 1 316.712 0.886 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)c1c[nH]c2ccc(F)cc12 ZINC001582189034 1165979457 /nfs/dbraw/zinc/97/94/57/1165979457.db2.gz YELRTMLIVBIWIW-UHFFFAOYSA-N -1 1 312.268 0.962 20 0 DCADMM O=C(CNC(=O)c1cccc(-c2nnn[n-]2)n1)c1cncs1 ZINC001582338281 1166003742 /nfs/dbraw/zinc/00/37/42/1166003742.db2.gz BXVJZTNYKWLDMQ-UHFFFAOYSA-N -1 1 315.318 0.331 20 0 DCADMM O=C(CNC(=O)c1cccc(-c2nn[n-]n2)n1)c1cncs1 ZINC001582338281 1166003749 /nfs/dbraw/zinc/00/37/49/1166003749.db2.gz BXVJZTNYKWLDMQ-UHFFFAOYSA-N -1 1 315.318 0.331 20 0 DCADMM O=C(NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)C1CC1 ZINC001582516169 1166028709 /nfs/dbraw/zinc/02/87/09/1166028709.db2.gz TZISRLGDZNFZHY-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)C1CC1 ZINC001582516169 1166028717 /nfs/dbraw/zinc/02/87/17/1166028717.db2.gz TZISRLGDZNFZHY-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cnc(C2CC2)nc1 ZINC001582554749 1166041381 /nfs/dbraw/zinc/04/13/81/1166041381.db2.gz TVFAAIFDYAVLPT-UHFFFAOYSA-N -1 1 322.332 0.859 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cnc(C2CC2)nc1 ZINC001582554749 1166041389 /nfs/dbraw/zinc/04/13/89/1166041389.db2.gz TVFAAIFDYAVLPT-UHFFFAOYSA-N -1 1 322.332 0.859 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc2oc(=O)[nH]c21 ZINC001582631903 1166057293 /nfs/dbraw/zinc/05/72/93/1166057293.db2.gz QXWIHMYFVBNCOH-UHFFFAOYSA-N -1 1 312.249 0.689 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc2oc(=O)[nH]c21 ZINC001582631903 1166057299 /nfs/dbraw/zinc/05/72/99/1166057299.db2.gz QXWIHMYFVBNCOH-UHFFFAOYSA-N -1 1 312.249 0.689 20 0 DCADMM O=C(Nc1ccnc(OCCO)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001582648285 1166062146 /nfs/dbraw/zinc/06/21/46/1166062146.db2.gz WSUWWRNATIRZJK-UHFFFAOYSA-N -1 1 316.277 0.478 20 0 DCADMM O=C(Nc1ccnc(OCCO)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001582648285 1166062153 /nfs/dbraw/zinc/06/21/53/1166062153.db2.gz WSUWWRNATIRZJK-UHFFFAOYSA-N -1 1 316.277 0.478 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1c2ccccc2C[C@@H]1CO ZINC001582700827 1166069519 /nfs/dbraw/zinc/06/95/19/1166069519.db2.gz ACOKVYYDYAMGMY-GFCCVEGCSA-N -1 1 322.328 0.826 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1c2ccccc2C[C@@H]1CO ZINC001582700827 1166069524 /nfs/dbraw/zinc/06/95/24/1166069524.db2.gz ACOKVYYDYAMGMY-GFCCVEGCSA-N -1 1 322.328 0.826 20 0 DCADMM O=C1[C@H](NCc2nc(-c3nn[n-]n3)cs2)C[C@@H]2CCCCN12 ZINC001582755710 1166075968 /nfs/dbraw/zinc/07/59/68/1166075968.db2.gz DCVDNXMKTUJHJQ-DTWKUNHWSA-N -1 1 319.394 0.566 20 0 DCADMM O=C1C[C@@H](Oc2cccc(Nc3ccnc(-c4nn[n-]n4)n3)c2)N1 ZINC001582760423 1166078717 /nfs/dbraw/zinc/07/87/17/1166078717.db2.gz OCSHEGMJKDIYCD-GFCCVEGCSA-N -1 1 324.304 0.047 20 0 DCADMM O=c1ccccn1CCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001582809545 1166088168 /nfs/dbraw/zinc/08/81/68/1166088168.db2.gz ZGJLAUPIQPQGGE-UHFFFAOYSA-N -1 1 324.344 0.379 20 0 DCADMM O[C@H](CNc1ncncc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC001582810007 1166088439 /nfs/dbraw/zinc/08/84/39/1166088439.db2.gz VLGOEJNDKPKLTO-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM OCc1nc(Sc2nc(-c3nn[n-]n3)c(Cl)s2)n[nH]1 ZINC001582813825 1166094669 /nfs/dbraw/zinc/09/46/69/1166094669.db2.gz ZACRWHAXMWKEGB-UHFFFAOYSA-N -1 1 316.759 0.738 20 0 DCADMM COc1cccc(C(=O)NCCNC(=O)c2ccc([O-])cn2)c1 ZINC001584045093 1166301678 /nfs/dbraw/zinc/30/16/78/1166301678.db2.gz IOPFRZDAVLMBGB-UHFFFAOYSA-N -1 1 315.329 0.956 20 0 DCADMM CCCOCC(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001584603556 1166337221 /nfs/dbraw/zinc/33/72/21/1166337221.db2.gz CKYPKYWYZMZTHV-LLVKDONJSA-N -1 1 307.350 0.545 20 0 DCADMM O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)c1ccc(F)c([O-])c1 ZINC001586849289 1166500490 /nfs/dbraw/zinc/50/04/90/1166500490.db2.gz QVUVIGXEQHUKNA-VFZGTOFNSA-N -1 1 321.308 0.639 20 0 DCADMM COC(=O)c1nc[nH]c1NC(=O)c1ccc(-n2ccnc2)nn1 ZINC001587265839 1166505653 /nfs/dbraw/zinc/50/56/53/1166505653.db2.gz WMUHPZGYGVZWLE-UHFFFAOYSA-N -1 1 313.277 0.424 20 0 DCADMM O=C(c1ccnc(-n2ccnc2)c1)N1CCC(c2nn[n-]n2)CC1 ZINC001587870429 1166511737 /nfs/dbraw/zinc/51/17/37/1166511737.db2.gz SREJXWRIOUTNPM-UHFFFAOYSA-N -1 1 324.348 0.800 20 0 DCADMM Cn1cc([C@H](O)CNC(=O)c2ccc3n[n-]c(=S)n3c2)cn1 ZINC001588251111 1166519305 /nfs/dbraw/zinc/51/93/05/1166519305.db2.gz XQUDSGBRIXBIAK-SNVBAGLBSA-N -1 1 318.362 0.215 20 0 DCADMM CC(=O)C(C)(C)COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588781890 1166589804 /nfs/dbraw/zinc/58/98/04/1166589804.db2.gz KPBPSVCCBAIGDZ-SSDOTTSWSA-N -1 1 307.314 0.178 20 0 DCADMM CC(=O)[C@H](C)CCOC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588781419 1166590440 /nfs/dbraw/zinc/59/04/40/1166590440.db2.gz AZZVYEYYTDUEKT-SECBINFHSA-N -1 1 303.322 0.963 20 0 DCADMM CC(=O)[C@H](C)CCOC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588781419 1166590445 /nfs/dbraw/zinc/59/04/45/1166590445.db2.gz AZZVYEYYTDUEKT-SECBINFHSA-N -1 1 303.322 0.963 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001588811586 1166595840 /nfs/dbraw/zinc/59/58/40/1166595840.db2.gz DRDHZINMNIYBTN-WCBMZHEXSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001588811586 1166595846 /nfs/dbraw/zinc/59/58/46/1166595846.db2.gz DRDHZINMNIYBTN-WCBMZHEXSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588819222 1166596522 /nfs/dbraw/zinc/59/65/22/1166596522.db2.gz WCHGHOLRSOYGLB-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588819222 1166596532 /nfs/dbraw/zinc/59/65/32/1166596532.db2.gz WCHGHOLRSOYGLB-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001588813125 1166597912 /nfs/dbraw/zinc/59/79/12/1166597912.db2.gz UCDQWLCUOSACRO-SECBINFHSA-N -1 1 307.383 0.912 20 0 DCADMM CC(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001588837700 1166602843 /nfs/dbraw/zinc/60/28/43/1166602843.db2.gz FYLXGWSRCLCEPA-LLVKDONJSA-N -1 1 302.342 0.292 20 0 DCADMM CC(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001588837700 1166602850 /nfs/dbraw/zinc/60/28/50/1166602850.db2.gz FYLXGWSRCLCEPA-LLVKDONJSA-N -1 1 302.342 0.292 20 0 DCADMM CC(=O)N[C@H]1CC[C@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588840171 1166606547 /nfs/dbraw/zinc/60/65/47/1166606547.db2.gz OUBILOAOMGDCJJ-WPRPVWTQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588841216 1166606649 /nfs/dbraw/zinc/60/66/49/1166606649.db2.gz IQLOWAYZVDEJQX-LLVKDONJSA-N -1 1 316.369 0.460 20 0 DCADMM CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588841216 1166606653 /nfs/dbraw/zinc/60/66/53/1166606653.db2.gz IQLOWAYZVDEJQX-LLVKDONJSA-N -1 1 316.369 0.460 20 0 DCADMM C[C@H](C(=O)N(C)C1(C)CCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588936267 1166619637 /nfs/dbraw/zinc/61/96/37/1166619637.db2.gz FZIVKEULTKTEHL-SECBINFHSA-N -1 1 304.358 0.810 20 0 DCADMM C[C@@H](C(=O)N1CCOC(C)(C)[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001588959672 1166621525 /nfs/dbraw/zinc/62/15/25/1166621525.db2.gz HBPGBJSIQIKKNH-DTWKUNHWSA-N -1 1 320.357 0.045 20 0 DCADMM C[C@H](C(=O)N[C@@]1(C)CC=CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970028 1166624394 /nfs/dbraw/zinc/62/43/94/1166624394.db2.gz AHUATPUKCZUWEA-RNCFNFMXSA-N -1 1 302.342 0.634 20 0 DCADMM C[C@@H](C(=O)NC12CCC(CC1)CC2)n1cnc(-c2nn[n-]n2)n1 ZINC001588970364 1166624462 /nfs/dbraw/zinc/62/44/62/1166624462.db2.gz GGROBAHERAVNJK-IPWFMCSPSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)c1cnn(C)c1 ZINC001588999944 1166626097 /nfs/dbraw/zinc/62/60/97/1166626097.db2.gz RJTLKYHXPYKWPE-ZETCQYMHSA-N -1 1 318.366 0.477 20 0 DCADMM C[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)c1cnn(C)c1 ZINC001588999944 1166626106 /nfs/dbraw/zinc/62/61/06/1166626106.db2.gz RJTLKYHXPYKWPE-ZETCQYMHSA-N -1 1 318.366 0.477 20 0 DCADMM C[C@@H](C(=O)NCc1ccc(O)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588999191 1166626385 /nfs/dbraw/zinc/62/63/85/1166626385.db2.gz YJYACTXNVLJUEN-QMMMGPOBSA-N -1 1 314.309 0.041 20 0 DCADMM C[C@H](C(=O)NCCc1ccsc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588996004 1166626497 /nfs/dbraw/zinc/62/64/97/1166626497.db2.gz AKJFPPKVTLYZKE-MRVPVSSYSA-N -1 1 318.366 0.440 20 0 DCADMM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001589006195 1166627083 /nfs/dbraw/zinc/62/70/83/1166627083.db2.gz CVSHSUGKGVVGKX-BDAKNGLRSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1F)n1cnc(-c2nn[n-]n2)n1 ZINC001589003153 1166627204 /nfs/dbraw/zinc/62/72/04/1166627204.db2.gz QFBPDUYNGCHYLF-IWSPIJDZSA-N -1 1 308.321 0.416 20 0 DCADMM C[C@H](C(=O)Nc1ccnc(F)c1F)n1cnc(-c2nn[n-]n2)n1 ZINC001589022391 1166629480 /nfs/dbraw/zinc/62/94/80/1166629480.db2.gz YCXDOYUGAMFVLI-RXMQYKEDSA-N -1 1 321.251 0.331 20 0 DCADMM C[C@@H](C(=O)OC[C@@]1(C)CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001589027978 1166630995 /nfs/dbraw/zinc/63/09/95/1166630995.db2.gz SCXZJOVNYOGJFQ-QUBYGPBYSA-N -1 1 313.268 0.608 20 0 DCADMM CC(C)(C)C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589084429 1166632754 /nfs/dbraw/zinc/63/27/54/1166632754.db2.gz GHLZPMBQKDUNCW-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CC(C)(C)C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589084429 1166632760 /nfs/dbraw/zinc/63/27/60/1166632760.db2.gz GHLZPMBQKDUNCW-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CC(C)(CNc1nccnc1-c1nnn[n-]1)[C@@]1(O)CCOC1 ZINC001589292712 1166645206 /nfs/dbraw/zinc/64/52/06/1166645206.db2.gz QYOMJALSJWGVSI-CYBMUJFWSA-N -1 1 305.342 0.246 20 0 DCADMM CC(C)(CNc1nccnc1-c1nn[n-]n1)[C@@]1(O)CCOC1 ZINC001589292712 1166645210 /nfs/dbraw/zinc/64/52/10/1166645210.db2.gz QYOMJALSJWGVSI-CYBMUJFWSA-N -1 1 305.342 0.246 20 0 DCADMM CC(C)(O)CCNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589333256 1166650685 /nfs/dbraw/zinc/65/06/85/1166650685.db2.gz NKVRYOFMUOREOK-UHFFFAOYSA-N -1 1 311.371 0.283 20 0 DCADMM CC(C)(O)CCNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589333256 1166650687 /nfs/dbraw/zinc/65/06/87/1166650687.db2.gz NKVRYOFMUOREOK-UHFFFAOYSA-N -1 1 311.371 0.283 20 0 DCADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1nncn1C ZINC001589471881 1166662134 /nfs/dbraw/zinc/66/21/34/1166662134.db2.gz GUSLXSRAUKRTLR-JTQLQIEISA-N -1 1 316.325 0.715 20 0 DCADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1nncn1C ZINC001589471881 1166662138 /nfs/dbraw/zinc/66/21/38/1166662138.db2.gz GUSLXSRAUKRTLR-JTQLQIEISA-N -1 1 316.325 0.715 20 0 DCADMM CC(C)[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ncon1 ZINC001589472679 1166662243 /nfs/dbraw/zinc/66/22/43/1166662243.db2.gz RSVGCTXZAGWUNG-SNVBAGLBSA-N -1 1 314.309 0.772 20 0 DCADMM CC(C)[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ncon1 ZINC001589472679 1166662245 /nfs/dbraw/zinc/66/22/45/1166662245.db2.gz RSVGCTXZAGWUNG-SNVBAGLBSA-N -1 1 314.309 0.772 20 0 DCADMM CC(C)[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589494236 1166662587 /nfs/dbraw/zinc/66/25/87/1166662587.db2.gz JGEWSNTZHAGGFM-AWEZNQCLSA-N -1 1 303.370 0.892 20 0 DCADMM CC(C)[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589494236 1166662596 /nfs/dbraw/zinc/66/25/96/1166662596.db2.gz JGEWSNTZHAGGFM-AWEZNQCLSA-N -1 1 303.370 0.892 20 0 DCADMM CC(C)Cc1nsc(NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001589665030 1166671323 /nfs/dbraw/zinc/67/13/23/1166671323.db2.gz IGYXXZXTDBZBEL-UHFFFAOYSA-N -1 1 320.386 0.620 20 0 DCADMM CC(C)N(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC(C)(C)C1 ZINC001589672755 1166671388 /nfs/dbraw/zinc/67/13/88/1166671388.db2.gz BWQDTDXAEZWFJK-UHFFFAOYSA-N -1 1 318.385 0.884 20 0 DCADMM CC(C)OC1CN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001589739468 1166680928 /nfs/dbraw/zinc/68/09/28/1166680928.db2.gz KZMJLHKXWRMQLS-UHFFFAOYSA-N -1 1 324.366 0.060 20 0 DCADMM CC(C)n1cc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001589781675 1166686380 /nfs/dbraw/zinc/68/63/80/1166686380.db2.gz BNMBWIWKJZCWTK-UHFFFAOYSA-N -1 1 313.325 0.364 20 0 DCADMM CC(C)n1cc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001589781675 1166686383 /nfs/dbraw/zinc/68/63/83/1166686383.db2.gz BNMBWIWKJZCWTK-UHFFFAOYSA-N -1 1 313.325 0.364 20 0 DCADMM C[C@@H](CCNC(=O)C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001589822674 1166692823 /nfs/dbraw/zinc/69/28/23/1166692823.db2.gz MMXMEIUHQKXUFU-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CCNC(=O)C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001589822674 1166692827 /nfs/dbraw/zinc/69/28/27/1166692827.db2.gz MMXMEIUHQKXUFU-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNC(=O)CC1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001589855254 1166699430 /nfs/dbraw/zinc/69/94/30/1166699430.db2.gz UCMNCBPSBRDMBY-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNC(=O)CC1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001589855254 1166699435 /nfs/dbraw/zinc/69/94/35/1166699435.db2.gz UCMNCBPSBRDMBY-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589850331 1166700995 /nfs/dbraw/zinc/70/09/95/1166700995.db2.gz INJDWUAMLQFYIP-MRVPVSSYSA-N -1 1 304.358 0.041 20 0 DCADMM C[C@H](CO)NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589881701 1166704562 /nfs/dbraw/zinc/70/45/62/1166704562.db2.gz BIIRVWRWGXAQKT-GSVOUGTGSA-N -1 1 303.735 0.479 20 0 DCADMM C[C@@](O)(CNC(=O)c1ccc(-c2nnn[n-]2)o1)C(F)(F)F ZINC001589988800 1166737464 /nfs/dbraw/zinc/73/74/64/1166737464.db2.gz QFSXIPWBGSLIBZ-SECBINFHSA-N -1 1 305.216 0.503 20 0 DCADMM C[C@@](O)(CNC(=O)c1ccc(-c2nn[n-]n2)o1)C(F)(F)F ZINC001589988800 1166737466 /nfs/dbraw/zinc/73/74/66/1166737466.db2.gz QFSXIPWBGSLIBZ-SECBINFHSA-N -1 1 305.216 0.503 20 0 DCADMM CC1(C)CC(=O)NCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590079538 1166767795 /nfs/dbraw/zinc/76/77/95/1166767795.db2.gz FEQMFTPODHUQAY-UHFFFAOYSA-N -1 1 320.378 0.669 20 0 DCADMM CC1(C)CC[C@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)O1 ZINC001590090000 1166770509 /nfs/dbraw/zinc/77/05/09/1166770509.db2.gz XCABSZLSSFRUER-LLVKDONJSA-N -1 1 316.365 0.878 20 0 DCADMM CC1(C)CC[C@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)O1 ZINC001590090000 1166770515 /nfs/dbraw/zinc/77/05/15/1166770515.db2.gz XCABSZLSSFRUER-LLVKDONJSA-N -1 1 316.365 0.878 20 0 DCADMM CC1(C)CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CCCO1 ZINC001590104137 1166774819 /nfs/dbraw/zinc/77/48/19/1166774819.db2.gz SFUHIBWGSBNSPK-UHFFFAOYSA-N -1 1 302.338 0.903 20 0 DCADMM CC1(C)CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CCCO1 ZINC001590104137 1166774823 /nfs/dbraw/zinc/77/48/23/1166774823.db2.gz SFUHIBWGSBNSPK-UHFFFAOYSA-N -1 1 302.338 0.903 20 0 DCADMM CC1(C)COCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590111032 1166775553 /nfs/dbraw/zinc/77/55/53/1166775553.db2.gz FNYLPYQHVGXDJX-UHFFFAOYSA-N -1 1 310.339 0.019 20 0 DCADMM CC1(C)COCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590111032 1166775558 /nfs/dbraw/zinc/77/55/58/1166775558.db2.gz FNYLPYQHVGXDJX-UHFFFAOYSA-N -1 1 310.339 0.019 20 0 DCADMM CC1(C)C[S@](=O)CCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC001590111126 1166775707 /nfs/dbraw/zinc/77/57/07/1166775707.db2.gz HLTTXLWVSHECOB-OAQYLSRUSA-N -1 1 306.395 0.605 20 0 DCADMM CC1(C)C[S@](=O)CCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001590111126 1166775714 /nfs/dbraw/zinc/77/57/14/1166775714.db2.gz HLTTXLWVSHECOB-OAQYLSRUSA-N -1 1 306.395 0.605 20 0 DCADMM CC1(C)CNC(=O)[C@@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590109922 1166777187 /nfs/dbraw/zinc/77/71/87/1166777187.db2.gz TWEPFMUUUMMADV-YFKPBYRVSA-N -1 1 313.774 0.913 20 0 DCADMM CC1(C)CNC(=O)[C@@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590109922 1166777195 /nfs/dbraw/zinc/77/71/95/1166777195.db2.gz TWEPFMUUUMMADV-YFKPBYRVSA-N -1 1 313.774 0.913 20 0 DCADMM C[C@]1(C2CC2)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590122289 1166781737 /nfs/dbraw/zinc/78/17/37/1166781737.db2.gz SRNVQEDIIJOMCY-OAHLLOKOSA-N -1 1 314.349 0.903 20 0 DCADMM C[C@]1(C2CC2)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001590122289 1166781743 /nfs/dbraw/zinc/78/17/43/1166781743.db2.gz SRNVQEDIIJOMCY-OAHLLOKOSA-N -1 1 314.349 0.903 20 0 DCADMM CC1(NC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)COC1 ZINC001590144499 1166788681 /nfs/dbraw/zinc/78/86/81/1166788681.db2.gz AZVYYDGNLYERHT-UHFFFAOYSA-N -1 1 315.746 0.887 20 0 DCADMM C[C@@H]1C(=O)N(C)CN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590163346 1166793843 /nfs/dbraw/zinc/79/38/43/1166793843.db2.gz ICDUFHFLYMAGNN-SSDOTTSWSA-N -1 1 304.285 0.266 20 0 DCADMM C[C@@H]1C(=O)N(C)CN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590163346 1166793844 /nfs/dbraw/zinc/79/38/44/1166793844.db2.gz ICDUFHFLYMAGNN-SSDOTTSWSA-N -1 1 304.285 0.266 20 0 DCADMM C[C@H]1C(=O)NCCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590165603 1166795674 /nfs/dbraw/zinc/79/56/74/1166795674.db2.gz NLPWTUWQIONFMF-LURJTMIESA-N -1 1 322.275 0.105 20 0 DCADMM C[C@H]1C(=O)NCCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590165603 1166795684 /nfs/dbraw/zinc/79/56/84/1166795684.db2.gz NLPWTUWQIONFMF-LURJTMIESA-N -1 1 322.275 0.105 20 0 DCADMM C[C@@H]1CC(=O)NCCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590180781 1166800414 /nfs/dbraw/zinc/80/04/14/1166800414.db2.gz JISHFNZRKCKSRZ-MRVPVSSYSA-N -1 1 316.325 0.004 20 0 DCADMM C[C@@H]1CC(=O)NCCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590180781 1166800419 /nfs/dbraw/zinc/80/04/19/1166800419.db2.gz JISHFNZRKCKSRZ-MRVPVSSYSA-N -1 1 316.325 0.004 20 0 DCADMM C[C@@H]1C[C@H](CO)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590191098 1166803222 /nfs/dbraw/zinc/80/32/22/1166803222.db2.gz DNXFRWPFHXUCGC-ZJUUUORDSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@@H]1C[C@H](CO)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590191098 1166803227 /nfs/dbraw/zinc/80/32/27/1166803227.db2.gz DNXFRWPFHXUCGC-ZJUUUORDSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@H]1CC(=O)NCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590182125 1166804674 /nfs/dbraw/zinc/80/46/74/1166804674.db2.gz YGHBEUHGMNZDPU-QMMMGPOBSA-N -1 1 316.325 0.004 20 0 DCADMM C[C@H]1CC(=O)NCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590182125 1166804680 /nfs/dbraw/zinc/80/46/80/1166804680.db2.gz YGHBEUHGMNZDPU-QMMMGPOBSA-N -1 1 316.325 0.004 20 0 DCADMM C[C@H]1C[C@@H](CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590195194 1166806358 /nfs/dbraw/zinc/80/63/58/1166806358.db2.gz YJEWYJSFKZECDJ-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1C[C@@H](CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001590195194 1166806365 /nfs/dbraw/zinc/80/63/65/1166806365.db2.gz YJEWYJSFKZECDJ-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CCS1(=O)=O ZINC001590208182 1166815928 /nfs/dbraw/zinc/81/59/28/1166815928.db2.gz WBWRRYXLDRJZCJ-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CCS1(=O)=O ZINC001590208182 1166815937 /nfs/dbraw/zinc/81/59/37/1166815937.db2.gz WBWRRYXLDRJZCJ-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590214465 1166816581 /nfs/dbraw/zinc/81/65/81/1166816581.db2.gz NDUQALIEMHSFSI-BDAKNGLRSA-N -1 1 302.342 0.183 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590214465 1166816585 /nfs/dbraw/zinc/81/65/85/1166816585.db2.gz NDUQALIEMHSFSI-BDAKNGLRSA-N -1 1 302.342 0.183 20 0 DCADMM C[C@@H]1CC[C@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)O1 ZINC001590230570 1166820856 /nfs/dbraw/zinc/82/08/56/1166820856.db2.gz MCHZXKHEVGCSPG-HTQZYQBOSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@@H]1CC[C@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)O1 ZINC001590230570 1166820864 /nfs/dbraw/zinc/82/08/64/1166820864.db2.gz MCHZXKHEVGCSPG-HTQZYQBOSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@@H]1CC[C@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)O1 ZINC001590227686 1166821185 /nfs/dbraw/zinc/82/11/85/1166821185.db2.gz AZLDQEUPSNZVNY-MWLCHTKSSA-N -1 1 302.338 0.488 20 0 DCADMM C[C@@H]1CC[C@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)O1 ZINC001590227686 1166821190 /nfs/dbraw/zinc/82/11/90/1166821190.db2.gz AZLDQEUPSNZVNY-MWLCHTKSSA-N -1 1 302.338 0.488 20 0 DCADMM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590226274 1166821574 /nfs/dbraw/zinc/82/15/74/1166821574.db2.gz NSLPDNAOWPKEQR-HTQZYQBOSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590226274 1166821587 /nfs/dbraw/zinc/82/15/87/1166821587.db2.gz NSLPDNAOWPKEQR-HTQZYQBOSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@H]1CC[C@@H](NS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590236862 1166825094 /nfs/dbraw/zinc/82/50/94/1166825094.db2.gz NJECHLWUWDLYIU-DTWKUNHWSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@@H](C(=O)N1[C@H](C)CCC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590242786 1166827692 /nfs/dbraw/zinc/82/76/92/1166827692.db2.gz HWAUNDOKSBAOHY-BBBLOLIVSA-N -1 1 304.358 0.809 20 0 DCADMM C[C@@H]1CCC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001590256196 1166830524 /nfs/dbraw/zinc/83/05/24/1166830524.db2.gz XSXTUPIVUHGXBK-SFYZADRCSA-N -1 1 305.342 0.657 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@]1(C)CO ZINC001590297033 1166842255 /nfs/dbraw/zinc/84/22/55/1166842255.db2.gz AKZVFKYXBMANMY-XPTSAGLGSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@]1(C)CO ZINC001590297033 1166842258 /nfs/dbraw/zinc/84/22/58/1166842258.db2.gz AKZVFKYXBMANMY-XPTSAGLGSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H](C2CC2)O1 ZINC001590299599 1166847796 /nfs/dbraw/zinc/84/77/96/1166847796.db2.gz IKIGZKVWKRYQOZ-ZANVPECISA-N -1 1 314.349 0.901 20 0 DCADMM C[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H](C2CC2)O1 ZINC001590299599 1166847803 /nfs/dbraw/zinc/84/78/03/1166847803.db2.gz IKIGZKVWKRYQOZ-ZANVPECISA-N -1 1 314.349 0.901 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)CCC1=O ZINC001590308283 1166853571 /nfs/dbraw/zinc/85/35/71/1166853571.db2.gz HGAJMCTXJQEQKK-SSDOTTSWSA-N -1 1 311.323 0.059 20 0 DCADMM C[C@@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)C[C@@H](C)S1=O ZINC001590306923 1166854013 /nfs/dbraw/zinc/85/40/13/1166854013.db2.gz KCGSRUDUYKJVGX-NXEZZACHSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)C[C@@H](C)S1=O ZINC001590306923 1166854017 /nfs/dbraw/zinc/85/40/17/1166854017.db2.gz KCGSRUDUYKJVGX-NXEZZACHSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@](C)(C(F)F)O1 ZINC001590317380 1166862476 /nfs/dbraw/zinc/86/24/76/1166862476.db2.gz YNRHJJZHLYPYBV-JMCQJSRRSA-N -1 1 311.296 0.906 20 0 DCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@](C)(C(F)F)O1 ZINC001590317380 1166862480 /nfs/dbraw/zinc/86/24/80/1166862480.db2.gz YNRHJJZHLYPYBV-JMCQJSRRSA-N -1 1 311.296 0.906 20 0 DCADMM C[C@@H]1COCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590321814 1166864090 /nfs/dbraw/zinc/86/40/90/1166864090.db2.gz CNURZWOEKZINMI-BDAKNGLRSA-N -1 1 303.326 0.808 20 0 DCADMM C[C@@H]1COCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590321814 1166864095 /nfs/dbraw/zinc/86/40/95/1166864095.db2.gz CNURZWOEKZINMI-BDAKNGLRSA-N -1 1 303.326 0.808 20 0 DCADMM C/C=C(\C)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590344026 1166877181 /nfs/dbraw/zinc/87/71/81/1166877181.db2.gz AZPYMAGBSIIOHE-RUQOPNIZSA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(\C)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590344026 1166877184 /nfs/dbraw/zinc/87/71/84/1166877184.db2.gz AZPYMAGBSIIOHE-RUQOPNIZSA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(\C)C(=O)N(CC)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590344515 1166877253 /nfs/dbraw/zinc/87/72/53/1166877253.db2.gz UALYMZINJCEONV-ONNFQVAWSA-N -1 1 316.369 0.883 20 0 DCADMM C/C=C(\C)C(=O)N(CC)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590344515 1166877258 /nfs/dbraw/zinc/87/72/58/1166877258.db2.gz UALYMZINJCEONV-ONNFQVAWSA-N -1 1 316.369 0.883 20 0 DCADMM C/C=C(\C)C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590345043 1166879201 /nfs/dbraw/zinc/87/92/01/1166879201.db2.gz HHIPVNGGJJHLKO-RUQOPNIZSA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(\C)C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590345043 1166879205 /nfs/dbraw/zinc/87/92/05/1166879205.db2.gz HHIPVNGGJJHLKO-RUQOPNIZSA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590347149 1166879280 /nfs/dbraw/zinc/87/92/80/1166879280.db2.gz BTDGIXKDMRATBD-LIIPPBBTSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590347149 1166879287 /nfs/dbraw/zinc/87/92/87/1166879287.db2.gz BTDGIXKDMRATBD-LIIPPBBTSA-N -1 1 314.353 0.682 20 0 DCADMM CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590360685 1166884114 /nfs/dbraw/zinc/88/41/14/1166884114.db2.gz DSGKFPYZQMZDHT-MRVPVSSYSA-N -1 1 304.310 0.200 20 0 DCADMM CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590360685 1166884119 /nfs/dbraw/zinc/88/41/19/1166884119.db2.gz DSGKFPYZQMZDHT-MRVPVSSYSA-N -1 1 304.310 0.200 20 0 DCADMM CCC(=O)N[C@H](C)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590363687 1166887137 /nfs/dbraw/zinc/88/71/37/1166887137.db2.gz OUODZHWLPDULGJ-SECBINFHSA-N -1 1 304.358 0.316 20 0 DCADMM CCC(=O)N[C@H](C)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590363687 1166887142 /nfs/dbraw/zinc/88/71/42/1166887142.db2.gz OUODZHWLPDULGJ-SECBINFHSA-N -1 1 304.358 0.316 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001590375028 1166892645 /nfs/dbraw/zinc/89/26/45/1166892645.db2.gz PFRSCIFUPQBVIB-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001590375028 1166892653 /nfs/dbraw/zinc/89/26/53/1166892653.db2.gz PFRSCIFUPQBVIB-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590391093 1166897454 /nfs/dbraw/zinc/89/74/54/1166897454.db2.gz PGJKDHFYPYXYLJ-SECBINFHSA-N -1 1 304.358 0.573 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590391093 1166897458 /nfs/dbraw/zinc/89/74/58/1166897458.db2.gz PGJKDHFYPYXYLJ-SECBINFHSA-N -1 1 304.358 0.573 20 0 DCADMM CC[C@H](C)[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)OC ZINC001590398435 1166897496 /nfs/dbraw/zinc/89/74/96/1166897496.db2.gz BLEXUQZFCYZZSU-JGVFFNPUSA-N -1 1 323.357 0.139 20 0 DCADMM CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590407281 1166901025 /nfs/dbraw/zinc/90/10/25/1166901025.db2.gz YKLXYMQLEIENRD-IVZWLZJFSA-N -1 1 306.374 0.960 20 0 DCADMM CC[C@@H](C[C@@H](C)O)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590425110 1166903530 /nfs/dbraw/zinc/90/35/30/1166903530.db2.gz PJRXEALRRIVWNW-KOLCDFICSA-N -1 1 304.354 0.470 20 0 DCADMM CC[C@@H](C[C@@H](C)O)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590425110 1166903537 /nfs/dbraw/zinc/90/35/37/1166903537.db2.gz PJRXEALRRIVWNW-KOLCDFICSA-N -1 1 304.354 0.470 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590451271 1166911123 /nfs/dbraw/zinc/91/11/23/1166911123.db2.gz CEJKOHTVGHQEGY-QMMMGPOBSA-N -1 1 308.321 0.275 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590451271 1166911130 /nfs/dbraw/zinc/91/11/30/1166911130.db2.gz CEJKOHTVGHQEGY-QMMMGPOBSA-N -1 1 308.321 0.275 20 0 DCADMM CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H](O)C(F)F ZINC001590459192 1166915332 /nfs/dbraw/zinc/91/53/32/1166915332.db2.gz IJIQPZUBSWQHSV-IMTBSYHQSA-N -1 1 312.280 0.396 20 0 DCADMM CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H](O)C(F)F ZINC001590459192 1166915338 /nfs/dbraw/zinc/91/53/38/1166915338.db2.gz IJIQPZUBSWQHSV-IMTBSYHQSA-N -1 1 312.280 0.396 20 0 DCADMM CC[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001590477570 1166919580 /nfs/dbraw/zinc/91/95/80/1166919580.db2.gz VSBWGBLVCQLHFC-PHDIDXHHSA-N -1 1 319.247 0.903 20 0 DCADMM CC[C@@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCNC1=O ZINC001590489761 1166923583 /nfs/dbraw/zinc/92/35/83/1166923583.db2.gz UUTPRPPRGXIRBQ-CYBMUJFWSA-N -1 1 301.310 0.117 20 0 DCADMM CC[C@@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCNC1=O ZINC001590489761 1166923590 /nfs/dbraw/zinc/92/35/90/1166923590.db2.gz UUTPRPPRGXIRBQ-CYBMUJFWSA-N -1 1 301.310 0.117 20 0 DCADMM CC[C@@]1(C)CN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CCO1 ZINC001590490366 1166923839 /nfs/dbraw/zinc/92/38/39/1166923839.db2.gz LDKYHAAFEKOLQI-ZANVPECISA-N -1 1 320.357 0.047 20 0 DCADMM CCC1(C(=O)NCCCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001590486861 1166923864 /nfs/dbraw/zinc/92/38/64/1166923864.db2.gz RYDVXWZTYQERND-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CCC1(C(=O)NCCCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001590486861 1166923871 /nfs/dbraw/zinc/92/38/71/1166923871.db2.gz RYDVXWZTYQERND-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM CCC1(CC)CN(c2cc(-c3nnn[n-]3)ncn2)CC[S@@]1=O ZINC001590492261 1166924122 /nfs/dbraw/zinc/92/41/22/1166924122.db2.gz DPNVJNFXAHMGTQ-QFIPXVFZSA-N -1 1 321.410 0.784 20 0 DCADMM CCC1(CC)CN(c2cc(-c3nn[n-]n3)ncn2)CC[S@@]1=O ZINC001590492261 1166924128 /nfs/dbraw/zinc/92/41/28/1166924128.db2.gz DPNVJNFXAHMGTQ-QFIPXVFZSA-N -1 1 321.410 0.784 20 0 DCADMM CC[C@@]1(O)CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590500524 1166925200 /nfs/dbraw/zinc/92/52/00/1166925200.db2.gz VXSVIENBSUVPFT-CQSZACIVSA-N -1 1 305.313 0.993 20 0 DCADMM CC[C@@]1(O)CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590500524 1166925204 /nfs/dbraw/zinc/92/52/04/1166925204.db2.gz VXSVIENBSUVPFT-CQSZACIVSA-N -1 1 305.313 0.993 20 0 DCADMM CCC1(CO)CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590496352 1166925343 /nfs/dbraw/zinc/92/53/43/1166925343.db2.gz OJKQJVGUNGFEAW-UHFFFAOYSA-N -1 1 316.365 0.886 20 0 DCADMM CCC1(CO)CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590496352 1166925345 /nfs/dbraw/zinc/92/53/45/1166925345.db2.gz OJKQJVGUNGFEAW-UHFFFAOYSA-N -1 1 316.365 0.886 20 0 DCADMM CC[C@]1(O)CCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001590499984 1166926783 /nfs/dbraw/zinc/92/67/83/1166926783.db2.gz IZZCIPJZOQGMAZ-AWEZNQCLSA-N -1 1 318.337 0.263 20 0 DCADMM CC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)[S@]1=O ZINC001590520769 1166932131 /nfs/dbraw/zinc/93/21/31/1166932131.db2.gz IXKNIGRZTMLCKN-KJKXQFFYSA-N -1 1 306.395 0.998 20 0 DCADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)[S@]1=O ZINC001590520769 1166932135 /nfs/dbraw/zinc/93/21/35/1166932135.db2.gz IXKNIGRZTMLCKN-KJKXQFFYSA-N -1 1 306.395 0.998 20 0 DCADMM CC/C=C(/C)C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001590534917 1166935892 /nfs/dbraw/zinc/93/58/92/1166935892.db2.gz MDBUSDLXDQCIQN-YHYXMXQVSA-N -1 1 316.369 0.931 20 0 DCADMM CC/C=C(/C)C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001590534917 1166935898 /nfs/dbraw/zinc/93/58/98/1166935898.db2.gz MDBUSDLXDQCIQN-YHYXMXQVSA-N -1 1 316.369 0.931 20 0 DCADMM CCCC(=O)NC[C@H](CC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590536415 1166936328 /nfs/dbraw/zinc/93/63/28/1166936328.db2.gz HQTCQURCCRGZQN-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)NC[C@H](CC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590536415 1166936335 /nfs/dbraw/zinc/93/63/35/1166936335.db2.gz HQTCQURCCRGZQN-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCC[C@](C)(O)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001590544657 1166940207 /nfs/dbraw/zinc/94/02/07/1166940207.db2.gz XXXJNTONUKXAKM-ZDUSSCGKSA-N -1 1 305.342 0.957 20 0 DCADMM CCC[C@](C)(CO)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001590543319 1166940457 /nfs/dbraw/zinc/94/04/57/1166940457.db2.gz OXLURJWBTYISPH-CYBMUJFWSA-N -1 1 308.342 0.373 20 0 DCADMM CCC[C@](C)(CO)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001590543319 1166940462 /nfs/dbraw/zinc/94/04/62/1166940462.db2.gz OXLURJWBTYISPH-CYBMUJFWSA-N -1 1 308.342 0.373 20 0 DCADMM CCCC(=O)N1CCC[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590549881 1166942995 /nfs/dbraw/zinc/94/29/95/1166942995.db2.gz WDEOPNBEWAPLAA-VIFPVBQESA-N -1 1 318.341 0.319 20 0 DCADMM CCCC(=O)N1CCC[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590549881 1166942999 /nfs/dbraw/zinc/94/29/99/1166942999.db2.gz WDEOPNBEWAPLAA-VIFPVBQESA-N -1 1 318.341 0.319 20 0 DCADMM CCC[C@]1(NC(=O)c2cccc(-c3nnn[n-]3)n2)CCOC1 ZINC001590564908 1166943863 /nfs/dbraw/zinc/94/38/63/1166943863.db2.gz CAKYHBTUKPBNBX-AWEZNQCLSA-N -1 1 302.338 0.951 20 0 DCADMM CCC[C@]1(NC(=O)c2cccc(-c3nn[n-]n3)n2)CCOC1 ZINC001590564908 1166943867 /nfs/dbraw/zinc/94/38/67/1166943867.db2.gz CAKYHBTUKPBNBX-AWEZNQCLSA-N -1 1 302.338 0.951 20 0 DCADMM CCC[C@H](O)CNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590559579 1166944339 /nfs/dbraw/zinc/94/43/39/1166944339.db2.gz IGQUYYKBPDTHMN-VIFPVBQESA-N -1 1 321.341 0.553 20 0 DCADMM CCCCC(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590572047 1166946731 /nfs/dbraw/zinc/94/67/31/1166946731.db2.gz RNRRCPFUTTULGG-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCCCC(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590572047 1166946739 /nfs/dbraw/zinc/94/67/39/1166946739.db2.gz RNRRCPFUTTULGG-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCC[C@H]1SCCN1C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590569503 1166947040 /nfs/dbraw/zinc/94/70/40/1166947040.db2.gz SFSKPNISJMFGNQ-RKDXNWHRSA-N -1 1 322.398 0.721 20 0 DCADMM CCCCOCCCNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590607516 1166949461 /nfs/dbraw/zinc/94/94/61/1166949461.db2.gz AXRLDXDJFRKBRJ-JTQLQIEISA-N -1 1 322.373 0.342 20 0 DCADMM CCCN(C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001590616610 1166952040 /nfs/dbraw/zinc/95/20/40/1166952040.db2.gz YYPVOBVLNVPZQO-UHFFFAOYSA-N -1 1 315.337 0.601 20 0 DCADMM CCCN(C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001590616610 1166952049 /nfs/dbraw/zinc/95/20/49/1166952049.db2.gz YYPVOBVLNVPZQO-UHFFFAOYSA-N -1 1 315.337 0.601 20 0 DCADMM CCCN(CCO)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590627307 1166955688 /nfs/dbraw/zinc/95/56/88/1166955688.db2.gz SKANWJAHOMLCRW-UHFFFAOYSA-N -1 1 310.383 0.842 20 0 DCADMM CCCN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1=O ZINC001590635925 1166957349 /nfs/dbraw/zinc/95/73/49/1166957349.db2.gz OOBKFXNVPVRJMO-UHFFFAOYSA-N -1 1 318.337 0.544 20 0 DCADMM CCCN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1=O ZINC001590635925 1166957352 /nfs/dbraw/zinc/95/73/52/1166957352.db2.gz OOBKFXNVPVRJMO-UHFFFAOYSA-N -1 1 318.337 0.544 20 0 DCADMM CCCNC(=O)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001590637773 1166958048 /nfs/dbraw/zinc/95/80/48/1166958048.db2.gz DWRAMBLPHBPSSZ-UHFFFAOYSA-N -1 1 312.337 0.651 20 0 DCADMM CCCONC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001590644951 1166959270 /nfs/dbraw/zinc/95/92/70/1166959270.db2.gz OFNAYHWUUNCEAK-UHFFFAOYSA-N -1 1 320.353 0.975 20 0 DCADMM CCN(C)C(=O)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001590676850 1166964954 /nfs/dbraw/zinc/96/49/54/1166964954.db2.gz NPGVYNQMJHEXOF-UHFFFAOYSA-N -1 1 312.333 0.660 20 0 DCADMM CCN(C(C)=O)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590677446 1166967629 /nfs/dbraw/zinc/96/76/29/1166967629.db2.gz YPGBLFXLXHMPHS-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CCN(C(C)=O)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590677446 1166967638 /nfs/dbraw/zinc/96/76/38/1166967638.db2.gz YPGBLFXLXHMPHS-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CCN(C(C)=O)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590677443 1166969671 /nfs/dbraw/zinc/96/96/71/1166969671.db2.gz YPGBLFXLXHMPHS-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CCN(C(C)=O)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590677443 1166969678 /nfs/dbraw/zinc/96/96/78/1166969678.db2.gz YPGBLFXLXHMPHS-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CCN(CC)C(=O)CCCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590681192 1166970836 /nfs/dbraw/zinc/97/08/36/1166970836.db2.gz AXOMEXNXYZSZQD-UHFFFAOYSA-N -1 1 320.353 0.838 20 0 DCADMM CCN(CC)C(=O)CCCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590681192 1166970842 /nfs/dbraw/zinc/97/08/42/1166970842.db2.gz AXOMEXNXYZSZQD-UHFFFAOYSA-N -1 1 320.353 0.838 20 0 DCADMM CCN(CC)C(=O)[C@@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590683467 1166971022 /nfs/dbraw/zinc/97/10/22/1166971022.db2.gz YZAUEJVBQPLYRJ-SECBINFHSA-N -1 1 318.337 0.675 20 0 DCADMM CCN(CC)C(=O)[C@@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590683467 1166971027 /nfs/dbraw/zinc/97/10/27/1166971027.db2.gz YZAUEJVBQPLYRJ-SECBINFHSA-N -1 1 318.337 0.675 20 0 DCADMM CCN(CC)C(=O)[C@@H](C)OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590682526 1166971222 /nfs/dbraw/zinc/97/12/22/1166971222.db2.gz GDINQHVMLRASCG-MRVPVSSYSA-N -1 1 307.310 0.873 20 0 DCADMM CCN(CC)C(=O)[C@@H](C)OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590682526 1166971227 /nfs/dbraw/zinc/97/12/27/1166971227.db2.gz GDINQHVMLRASCG-MRVPVSSYSA-N -1 1 307.310 0.873 20 0 DCADMM CCN(CC)C(=O)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590683914 1166973696 /nfs/dbraw/zinc/97/36/96/1166973696.db2.gz IQMJOAWISZUYJK-UHFFFAOYSA-N -1 1 304.310 0.287 20 0 DCADMM CCN(CC)C(=O)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590683914 1166973704 /nfs/dbraw/zinc/97/37/04/1166973704.db2.gz IQMJOAWISZUYJK-UHFFFAOYSA-N -1 1 304.310 0.287 20 0 DCADMM CCN1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1=O ZINC001590737597 1166996596 /nfs/dbraw/zinc/99/65/96/1166996596.db2.gz UOEMOKRQALIKKD-UHFFFAOYSA-N -1 1 310.321 0.436 20 0 DCADMM CCN1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1=O ZINC001590737597 1166996600 /nfs/dbraw/zinc/99/66/00/1166996600.db2.gz UOEMOKRQALIKKD-UHFFFAOYSA-N -1 1 310.321 0.436 20 0 DCADMM CCOC(=O)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001590758751 1167007549 /nfs/dbraw/zinc/00/75/49/1167007549.db2.gz ZGZAVFXRVAUQHJ-SNVBAGLBSA-N -1 1 317.353 0.745 20 0 DCADMM CCOC(=O)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001590758751 1167007556 /nfs/dbraw/zinc/00/75/56/1167007556.db2.gz ZGZAVFXRVAUQHJ-SNVBAGLBSA-N -1 1 317.353 0.745 20 0 DCADMM CCOC(=O)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590758741 1167008512 /nfs/dbraw/zinc/00/85/12/1167008512.db2.gz ZALPTRPKJBUWDK-SECBINFHSA-N -1 1 303.326 0.436 20 0 DCADMM CCOC(=O)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590758741 1167008518 /nfs/dbraw/zinc/00/85/18/1167008518.db2.gz ZALPTRPKJBUWDK-SECBINFHSA-N -1 1 303.326 0.436 20 0 DCADMM CCOC(=O)C[C@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590765968 1167014371 /nfs/dbraw/zinc/01/43/71/1167014371.db2.gz BBGUIXGRVRKINK-QMMMGPOBSA-N -1 1 305.294 0.760 20 0 DCADMM CCOC(=O)C[C@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590765968 1167014377 /nfs/dbraw/zinc/01/43/77/1167014377.db2.gz BBGUIXGRVRKINK-QMMMGPOBSA-N -1 1 305.294 0.760 20 0 DCADMM CCOC[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)CCO1 ZINC001590801067 1167022796 /nfs/dbraw/zinc/02/27/96/1167022796.db2.gz BRVGDOXBGPYJSS-JTQLQIEISA-N -1 1 319.369 0.461 20 0 DCADMM CCOC[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)CCO1 ZINC001590801067 1167022805 /nfs/dbraw/zinc/02/28/05/1167022805.db2.gz BRVGDOXBGPYJSS-JTQLQIEISA-N -1 1 319.369 0.461 20 0 DCADMM CCOCC(=O)COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590796738 1167023124 /nfs/dbraw/zinc/02/31/24/1167023124.db2.gz ACDQCNPKVLYIBI-UHFFFAOYSA-N -1 1 308.269 0.768 20 0 DCADMM CCOCC(=O)COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590796738 1167023127 /nfs/dbraw/zinc/02/31/27/1167023127.db2.gz ACDQCNPKVLYIBI-UHFFFAOYSA-N -1 1 308.269 0.768 20 0 DCADMM CCOCC(=O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC001590797351 1167024747 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ZINC001591699046 1167359992 /nfs/dbraw/zinc/35/99/92/1167359992.db2.gz LLFHQUMCLFQZAM-UHFFFAOYSA-N -1 1 310.383 0.917 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C)CC1 ZINC001591764293 1167369636 /nfs/dbraw/zinc/36/96/36/1167369636.db2.gz JZYICPKATSUFQW-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C)CC1 ZINC001591764293 1167369641 /nfs/dbraw/zinc/36/96/41/1167369641.db2.gz JZYICPKATSUFQW-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@]23CCOC3)nn1C ZINC001591799964 1167384305 /nfs/dbraw/zinc/38/43/05/1167384305.db2.gz VSGJIELELUEPLK-AMIZOPFISA-N -1 1 303.326 0.274 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@]23CCOC3)nn1C ZINC001591799964 1167384310 /nfs/dbraw/zinc/38/43/10/1167384310.db2.gz VSGJIELELUEPLK-AMIZOPFISA-N -1 1 303.326 0.274 20 0 DCADMM Cc1c(CN(C)Cn2cccc(-c3nn[n-]n3)c2=O)cnn1C ZINC001591818944 1167389029 /nfs/dbraw/zinc/38/90/29/1167389029.db2.gz MOOQPIYKRPILBW-UHFFFAOYSA-N -1 1 314.353 0.160 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(Cl)n(C)n2)c1 ZINC001591837013 1167389655 /nfs/dbraw/zinc/38/96/55/1167389655.db2.gz SSHDZOFROMWVBO-UHFFFAOYSA-N -1 1 305.729 0.772 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C3OCCO3)C2)n1 ZINC001591889594 1167411850 /nfs/dbraw/zinc/41/18/50/1167411850.db2.gz UFCFOLPTCZRMGQ-JTQLQIEISA-N -1 1 317.353 0.554 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C3OCCO3)C2)n1 ZINC001591889594 1167411853 /nfs/dbraw/zinc/41/18/53/1167411853.db2.gz UFCFOLPTCZRMGQ-JTQLQIEISA-N -1 1 317.353 0.554 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)n1 ZINC001591896171 1167412552 /nfs/dbraw/zinc/41/25/52/1167412552.db2.gz GUUSKKWSAZPXIE-YWVKMMECSA-N -1 1 303.326 0.181 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)n1 ZINC001591896171 1167412556 /nfs/dbraw/zinc/41/25/56/1167412556.db2.gz GUUSKKWSAZPXIE-YWVKMMECSA-N -1 1 303.326 0.181 20 0 DCADMM Cc1cc(C)nc(C2CN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001591956795 1167424905 /nfs/dbraw/zinc/42/49/05/1167424905.db2.gz OFFHCGYEXOGMPD-UHFFFAOYSA-N -1 1 309.337 0.667 20 0 DCADMM Cc1cc(N2CCC3(COC(=O)N3)CC2)cc(-c2nnn[n-]2)n1 ZINC001592003728 1167432944 /nfs/dbraw/zinc/43/29/44/1167432944.db2.gz IFRKAJYATDVHFE-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM Cc1cc(N2CCC3(COC(=O)N3)CC2)cc(-c2nn[n-]n2)n1 ZINC001592003728 1167432946 /nfs/dbraw/zinc/43/29/46/1167432946.db2.gz IFRKAJYATDVHFE-UHFFFAOYSA-N -1 1 315.337 0.649 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N(C(C)C)C2)nc(-c2nnn[n-]2)c1 ZINC001592035840 1167440462 /nfs/dbraw/zinc/44/04/62/1167440462.db2.gz BEFOXEZBUZCQLU-SNVBAGLBSA-N -1 1 301.354 0.991 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N(C(C)C)C2)nc(-c2nn[n-]n2)c1 ZINC001592035840 1167440469 /nfs/dbraw/zinc/44/04/69/1167440469.db2.gz BEFOXEZBUZCQLU-SNVBAGLBSA-N -1 1 301.354 0.991 20 0 DCADMM Cc1cc(Oc2ccc(F)nc2-c2nn[n-]n2)nc(CO)n1 ZINC001592062157 1167449101 /nfs/dbraw/zinc/44/91/01/1167449101.db2.gz AZAGXNFJPYUIGL-UHFFFAOYSA-N -1 1 303.257 0.784 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001592115033 1167458396 /nfs/dbraw/zinc/45/83/96/1167458396.db2.gz WRAVNNIYVMNXNW-AOOOYVTPSA-N -1 1 320.378 0.051 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCC[C@H]1CC(=O)N(C)C1 ZINC001592113045 1167458831 /nfs/dbraw/zinc/45/88/31/1167458831.db2.gz DJPBFMLGCAIVMF-JTQLQIEISA-N -1 1 301.354 0.850 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1cnc2n1CCOC2 ZINC001592112471 1167459502 /nfs/dbraw/zinc/45/95/02/1167459502.db2.gz MBQBJODLKDIFKS-UHFFFAOYSA-N -1 1 312.337 0.909 20 0 DCADMM Cc1ccc(NCC[C@H]2CCCS2(=O)=O)nc1-c1nnn[n-]1 ZINC001592183018 1167470959 /nfs/dbraw/zinc/47/09/59/1167470959.db2.gz JDLPHEWITUKSJL-SNVBAGLBSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(NCC[C@H]2CCCS2(=O)=O)nc1-c1nn[n-]n1 ZINC001592183018 1167470965 /nfs/dbraw/zinc/47/09/65/1167470965.db2.gz JDLPHEWITUKSJL-SNVBAGLBSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H](C)C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001592327186 1167488964 /nfs/dbraw/zinc/48/89/64/1167488964.db2.gz FGGJSTJEFVZWFC-ZCFIWIBFSA-N -1 1 321.341 0.815 20 0 DCADMM Cc1[nH]nc(NC(=O)CCc2cscn2)c1-c1nn[n-]n1 ZINC001592327309 1167489642 /nfs/dbraw/zinc/48/96/42/1167489642.db2.gz COVHSWWGOKBNSX-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC3(CCNC3=O)CC2)n1 ZINC001592337301 1167493061 /nfs/dbraw/zinc/49/30/61/1167493061.db2.gz FNIBSQDNUJNWIC-UHFFFAOYSA-N -1 1 314.353 0.072 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC3(CCNC3=O)CC2)n1 ZINC001592337301 1167493065 /nfs/dbraw/zinc/49/30/65/1167493065.db2.gz FNIBSQDNUJNWIC-UHFFFAOYSA-N -1 1 314.353 0.072 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCOC[C@H]2CC2CC2)n1 ZINC001592340196 1167494744 /nfs/dbraw/zinc/49/47/44/1167494744.db2.gz DVIATWJBWARRCE-LLVKDONJSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCOC[C@H]2CC2CC2)n1 ZINC001592340196 1167494749 /nfs/dbraw/zinc/49/47/49/1167494749.db2.gz DVIATWJBWARRCE-LLVKDONJSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCN(C(C)C)C(=O)C2)n1 ZINC001592341482 1167496210 /nfs/dbraw/zinc/49/62/10/1167496210.db2.gz TWDDZIRLENQXPB-UHFFFAOYSA-N -1 1 302.342 0.022 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCN(C(C)C)C(=O)C2)n1 ZINC001592341482 1167496213 /nfs/dbraw/zinc/49/62/13/1167496213.db2.gz TWDDZIRLENQXPB-UHFFFAOYSA-N -1 1 302.342 0.022 20 0 DCADMM Cc1nc([C@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)no1 ZINC001592354645 1167503347 /nfs/dbraw/zinc/50/33/47/1167503347.db2.gz WJJDXDPTWMPIRI-ZETCQYMHSA-N -1 1 315.293 0.800 20 0 DCADMM Cc1nc([C@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)no1 ZINC001592354645 1167503353 /nfs/dbraw/zinc/50/33/53/1167503353.db2.gz WJJDXDPTWMPIRI-ZETCQYMHSA-N -1 1 315.293 0.800 20 0 DCADMM Cc1nc(NC[C@H](O)COCC2CC2)cc(-c2nnn[n-]2)n1 ZINC001592385899 1167510376 /nfs/dbraw/zinc/51/03/76/1167510376.db2.gz KDIFKRJPFRHJKP-JTQLQIEISA-N -1 1 305.342 0.165 20 0 DCADMM Cc1nc(NC[C@H](O)COCC2CC2)cc(-c2nn[n-]n2)n1 ZINC001592385899 1167510380 /nfs/dbraw/zinc/51/03/80/1167510380.db2.gz KDIFKRJPFRHJKP-JTQLQIEISA-N -1 1 305.342 0.165 20 0 DCADMM Cc1nccnc1[C@H](C)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592419533 1167517764 /nfs/dbraw/zinc/51/77/64/1167517764.db2.gz KUGNPUFTDDYUJJ-JTQLQIEISA-N -1 1 324.348 0.780 20 0 DCADMM Cc1nccnc1[C@H](C)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592419533 1167517766 /nfs/dbraw/zinc/51/77/66/1167517766.db2.gz KUGNPUFTDDYUJJ-JTQLQIEISA-N -1 1 324.348 0.780 20 0 DCADMM Cc1nccnc1CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592419355 1167518718 /nfs/dbraw/zinc/51/87/18/1167518718.db2.gz CRRWUJFBLOLAEU-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1nccnc1CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001592419355 1167518724 /nfs/dbraw/zinc/51/87/24/1167518724.db2.gz CRRWUJFBLOLAEU-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCCOCC2)c1-c1nnn[n-]1 ZINC001592433558 1167519532 /nfs/dbraw/zinc/51/95/32/1167519532.db2.gz FQEZWWUVAFZKCL-VIFPVBQESA-N -1 1 305.342 0.664 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCCOCC2)c1-c1nn[n-]n1 ZINC001592433558 1167519534 /nfs/dbraw/zinc/51/95/34/1167519534.db2.gz FQEZWWUVAFZKCL-VIFPVBQESA-N -1 1 305.342 0.664 20 0 DCADMM Cc1nn(C)c(NC(=O)c2csc(=O)[nH]2)c1-c1nnn[n-]1 ZINC001592433153 1167520082 /nfs/dbraw/zinc/52/00/82/1167520082.db2.gz SRIXIDHSIDRDPA-UHFFFAOYSA-N -1 1 306.311 0.323 20 0 DCADMM Cc1nn(C)c(NC(=O)c2csc(=O)[nH]2)c1-c1nn[n-]n1 ZINC001592433153 1167520087 /nfs/dbraw/zinc/52/00/87/1167520087.db2.gz SRIXIDHSIDRDPA-UHFFFAOYSA-N -1 1 306.311 0.323 20 0 DCADMM Cc1nn(Cc2ccncc2F)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438344 1167521630 /nfs/dbraw/zinc/52/16/30/1167521630.db2.gz YPUNXSOEALIVEK-UHFFFAOYSA-N -1 1 301.285 0.623 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2C[C@@H](O)C2(C)C)c1-c1nnn[n-]1 ZINC001592481188 1167533632 /nfs/dbraw/zinc/53/36/32/1167533632.db2.gz HVPYRNYXZLPXKB-RNFRBKRXSA-N -1 1 323.382 0.913 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2C[C@@H](O)C2(C)C)c1-c1nn[n-]n1 ZINC001592481188 1167533640 /nfs/dbraw/zinc/53/36/40/1167533640.db2.gz HVPYRNYXZLPXKB-RNFRBKRXSA-N -1 1 323.382 0.913 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)c1nncn1C ZINC001592500527 1167541113 /nfs/dbraw/zinc/54/11/13/1167541113.db2.gz DJLCLCDDOFCFNX-SSDOTTSWSA-N -1 1 303.282 0.815 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)c1nncn1C ZINC001592500527 1167541119 /nfs/dbraw/zinc/54/11/19/1167541119.db2.gz DJLCLCDDOFCFNX-SSDOTTSWSA-N -1 1 303.282 0.815 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCOC1CCOCC1 ZINC001592500800 1167541600 /nfs/dbraw/zinc/54/16/00/1167541600.db2.gz IMPFZHLVRBFSLE-UHFFFAOYSA-N -1 1 321.337 0.694 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCOC1CCOCC1 ZINC001592500800 1167541607 /nfs/dbraw/zinc/54/16/07/1167541607.db2.gz IMPFZHLVRBFSLE-UHFFFAOYSA-N -1 1 321.337 0.694 20 0 DCADMM Cc1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)n1C ZINC001592517525 1167548443 /nfs/dbraw/zinc/54/84/43/1167548443.db2.gz XXJHAEGVORPDHM-UHFFFAOYSA-N -1 1 315.337 0.669 20 0 DCADMM Cc1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)n1C ZINC001592517525 1167548449 /nfs/dbraw/zinc/54/84/49/1167548449.db2.gz XXJHAEGVORPDHM-UHFFFAOYSA-N -1 1 315.337 0.669 20 0 DCADMM Clc1cc2c(nn1)CN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001592527390 1167550216 /nfs/dbraw/zinc/55/02/16/1167550216.db2.gz NVJDOFJEWUZKND-UHFFFAOYSA-N -1 1 315.728 0.663 20 0 DCADMM Clc1cc2c(nn1)CN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001592527390 1167550220 /nfs/dbraw/zinc/55/02/20/1167550220.db2.gz NVJDOFJEWUZKND-UHFFFAOYSA-N -1 1 315.728 0.663 20 0 DCADMM Cn1c(=O)[nH]c(NCC(C)(C)C2CCC2)c(-c2nn[n-]n2)c1=O ZINC001592546855 1167553226 /nfs/dbraw/zinc/55/32/26/1167553226.db2.gz SKMNLUWOQPTHER-UHFFFAOYSA-N -1 1 319.369 0.904 20 0 DCADMM Cn1cc(-c2cccc(Nc3ccnc(-c4nn[n-]n4)n3)c2)nn1 ZINC001592558523 1167558034 /nfs/dbraw/zinc/55/80/34/1167558034.db2.gz OPAMRFMYIDQJRW-UHFFFAOYSA-N -1 1 320.320 0.618 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCC(F)(F)C2)n1 ZINC001592559363 1167561790 /nfs/dbraw/zinc/56/17/90/1167561790.db2.gz LDGXGRMBPPXRCC-UHFFFAOYSA-N -1 1 312.284 0.863 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCC(F)(F)C2)n1 ZINC001592559363 1167561795 /nfs/dbraw/zinc/56/17/95/1167561795.db2.gz LDGXGRMBPPXRCC-UHFFFAOYSA-N -1 1 312.284 0.863 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc3cccn3cn2)n1 ZINC001592561127 1167563261 /nfs/dbraw/zinc/56/32/61/1167563261.db2.gz WFTUIBPRQJFBNY-UHFFFAOYSA-N -1 1 309.293 0.500 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc3cccn3cn2)n1 ZINC001592561127 1167563266 /nfs/dbraw/zinc/56/32/66/1167563266.db2.gz WFTUIBPRQJFBNY-UHFFFAOYSA-N -1 1 309.293 0.500 20 0 DCADMM Cn1cc(N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001592575996 1167565801 /nfs/dbraw/zinc/56/58/01/1167565801.db2.gz MWFUKTFHNDGHSX-SECBINFHSA-N -1 1 312.341 0.081 20 0 DCADMM Cn1cc(N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001592575996 1167565807 /nfs/dbraw/zinc/56/58/07/1167565807.db2.gz MWFUKTFHNDGHSX-SECBINFHSA-N -1 1 312.341 0.081 20 0 DCADMM Cn1ncnc1N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592608284 1167581640 /nfs/dbraw/zinc/58/16/40/1167581640.db2.gz WCCRIAXZKHTIKY-UHFFFAOYSA-N -1 1 317.382 0.383 20 0 DCADMM FCCn1cc(-c2nnn[n-]2)c(I)n1 ZINC001592630257 1167586543 /nfs/dbraw/zinc/58/65/43/1167586543.db2.gz VHLUFGLGTTVKDN-UHFFFAOYSA-N -1 1 308.058 0.637 20 0 DCADMM FCCn1cc(-c2nn[n-]n2)c(I)n1 ZINC001592630257 1167586547 /nfs/dbraw/zinc/58/65/47/1167586547.db2.gz VHLUFGLGTTVKDN-UHFFFAOYSA-N -1 1 308.058 0.637 20 0 DCADMM FCCn1ncnc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001592630577 1167586765 /nfs/dbraw/zinc/58/67/65/1167586765.db2.gz ZRHNTNYIPCWQER-UHFFFAOYSA-N -1 1 308.252 0.541 20 0 DCADMM NC(=O)[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)cc1 ZINC001592716218 1167610931 /nfs/dbraw/zinc/61/09/31/1167610931.db2.gz UKPPAELRTBQOTG-GFCCVEGCSA-N -1 1 316.296 0.915 20 0 DCADMM NC(=O)[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(F)cc1 ZINC001592716218 1167610933 /nfs/dbraw/zinc/61/09/33/1167610933.db2.gz UKPPAELRTBQOTG-GFCCVEGCSA-N -1 1 316.296 0.915 20 0 DCADMM NC(=O)[C@H]1CC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592719521 1167612104 /nfs/dbraw/zinc/61/21/04/1167612104.db2.gz DCXHAHRJMFXUAI-JGVFFNPUSA-N -1 1 302.294 0.022 20 0 DCADMM NC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592719522 1167612525 /nfs/dbraw/zinc/61/25/25/1167612525.db2.gz DCXHAHRJMFXUAI-SFYZADRCSA-N -1 1 302.294 0.022 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ncnc2sccc21 ZINC001592753412 1167630906 /nfs/dbraw/zinc/63/09/06/1167630906.db2.gz YROLVFCHGIVBKK-UHFFFAOYSA-N -1 1 313.306 0.339 20 0 DCADMM Nc1n[nH]c(CCCNc2nnc(C3CC3)o2)c1-c1nnn[n-]1 ZINC001592752149 1167632061 /nfs/dbraw/zinc/63/20/61/1167632061.db2.gz PEMICSKKQWLUNY-UHFFFAOYSA-N -1 1 316.329 0.477 20 0 DCADMM Nc1n[nH]c(CCCNc2nnc(C3CC3)o2)c1-c1nn[n-]n1 ZINC001592752149 1167632067 /nfs/dbraw/zinc/63/20/67/1167632067.db2.gz PEMICSKKQWLUNY-UHFFFAOYSA-N -1 1 316.329 0.477 20 0 DCADMM O=C(C1=CCOCC1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592773601 1167639983 /nfs/dbraw/zinc/63/99/83/1167639983.db2.gz NUZCMTPDHDEMCR-UHFFFAOYSA-N -1 1 312.333 0.888 20 0 DCADMM O=C(C1=CCOCC1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592773601 1167639984 /nfs/dbraw/zinc/63/99/84/1167639984.db2.gz NUZCMTPDHDEMCR-UHFFFAOYSA-N -1 1 312.333 0.888 20 0 DCADMM O=C(CC1CC1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592811488 1167644899 /nfs/dbraw/zinc/64/48/99/1167644899.db2.gz LLPWHQVSHDCTBP-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CC1CC1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592811488 1167644904 /nfs/dbraw/zinc/64/49/04/1167644904.db2.gz LLPWHQVSHDCTBP-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C[C@H]1COC(=O)C1)OCc1cccnc1-c1nnn[n-]1 ZINC001592826447 1167646972 /nfs/dbraw/zinc/64/69/72/1167646972.db2.gz FEOIZUNNDFLJDH-QMMMGPOBSA-N -1 1 303.278 0.258 20 0 DCADMM O=C(C[C@H]1COC(=O)C1)OCc1cccnc1-c1nn[n-]n1 ZINC001592826447 1167646975 /nfs/dbraw/zinc/64/69/75/1167646975.db2.gz FEOIZUNNDFLJDH-QMMMGPOBSA-N -1 1 303.278 0.258 20 0 DCADMM O=C(CN1CCCCCC1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001592867619 1167653603 /nfs/dbraw/zinc/65/36/03/1167653603.db2.gz VLMWWHXSWGLGLV-UHFFFAOYSA-N -1 1 321.366 0.664 20 0 DCADMM O=C(CN1CCCCCC1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001592867619 1167653609 /nfs/dbraw/zinc/65/36/09/1167653609.db2.gz VLMWWHXSWGLGLV-UHFFFAOYSA-N -1 1 321.366 0.664 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)o1)NC1CCCC1 ZINC001592881760 1167655396 /nfs/dbraw/zinc/65/53/96/1167655396.db2.gz JRGVWFIXKHLJRV-UHFFFAOYSA-N -1 1 305.294 0.675 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc2nncn2c1 ZINC001592915367 1167665418 /nfs/dbraw/zinc/66/54/18/1167665418.db2.gz KDMKIZAKHVGOLE-UHFFFAOYSA-N -1 1 321.304 0.486 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc2nncn2c1 ZINC001592915367 1167665421 /nfs/dbraw/zinc/66/54/21/1167665421.db2.gz KDMKIZAKHVGOLE-UHFFFAOYSA-N -1 1 321.304 0.486 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC1(O)CCCCC1 ZINC001592916190 1167666067 /nfs/dbraw/zinc/66/60/67/1167666067.db2.gz XNSDQTYBYAAPBJ-UHFFFAOYSA-N -1 1 316.365 0.616 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC1(O)CCCCC1 ZINC001592916190 1167666072 /nfs/dbraw/zinc/66/60/72/1167666072.db2.gz XNSDQTYBYAAPBJ-UHFFFAOYSA-N -1 1 316.365 0.616 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCC1 ZINC001592936548 1167667210 /nfs/dbraw/zinc/66/72/10/1167667210.db2.gz OZGKIEAYRYJBRL-UHFFFAOYSA-N -1 1 310.317 0.414 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(Cl)ccc1F ZINC001592941832 1167669680 /nfs/dbraw/zinc/66/96/80/1167669680.db2.gz MNJCNXFHLGPUBF-UHFFFAOYSA-N -1 1 322.691 0.889 20 0 DCADMM O=C(N[C@@H](CO)c1ccsc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592954979 1167673758 /nfs/dbraw/zinc/67/37/58/1167673758.db2.gz XKRYMCIEGWQQPG-NSHDSACASA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@@H](CO)c1ccsc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592954979 1167673761 /nfs/dbraw/zinc/67/37/61/1167673761.db2.gz XKRYMCIEGWQQPG-NSHDSACASA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@@H](CO)c1ncc[nH]1)c1csc(-c2nn[n-]n2)c1 ZINC001592954450 1167674267 /nfs/dbraw/zinc/67/42/67/1167674267.db2.gz NWJJEXHWZQXEIN-ZETCQYMHSA-N -1 1 305.323 0.115 20 0 DCADMM O=C(NC1CCC2(COC2)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001592974160 1167678392 /nfs/dbraw/zinc/67/83/92/1167678392.db2.gz SHGFPWWNQZYCQD-UHFFFAOYSA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NC1CCC2(COC2)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001592974160 1167678394 /nfs/dbraw/zinc/67/83/94/1167678394.db2.gz SHGFPWWNQZYCQD-UHFFFAOYSA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NC[C@@H](O)c1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593013372 1167686213 /nfs/dbraw/zinc/68/62/13/1167686213.db2.gz BDBYOFULAVETBT-CYBMUJFWSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(NC[C@@H](O)c1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593013372 1167686218 /nfs/dbraw/zinc/68/62/18/1167686218.db2.gz BDBYOFULAVETBT-CYBMUJFWSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(NCC[C@H](O)C1CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593056797 1167695649 /nfs/dbraw/zinc/69/56/49/1167695649.db2.gz NGOBOUFTMQFKBU-ZDUSSCGKSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NCC[C@H](O)C1CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593056797 1167695655 /nfs/dbraw/zinc/69/56/55/1167695655.db2.gz NGOBOUFTMQFKBU-ZDUSSCGKSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NCCCNc1cccnc1-c1nnn[n-]1)C1CCC1 ZINC001593076876 1167701213 /nfs/dbraw/zinc/70/12/13/1167701213.db2.gz ZDKPORWBQZOCIE-UHFFFAOYSA-N -1 1 301.354 0.980 20 0 DCADMM O=C(NCCCNc1cccnc1-c1nn[n-]n1)C1CCC1 ZINC001593076876 1167701221 /nfs/dbraw/zinc/70/12/21/1167701221.db2.gz ZDKPORWBQZOCIE-UHFFFAOYSA-N -1 1 301.354 0.980 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001593089222 1167702327 /nfs/dbraw/zinc/70/23/27/1167702327.db2.gz DAPFVVPOEDSRHP-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001593089222 1167702332 /nfs/dbraw/zinc/70/23/32/1167702332.db2.gz DAPFVVPOEDSRHP-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001593109718 1167711870 /nfs/dbraw/zinc/71/18/70/1167711870.db2.gz MVVMPNRVTZOWKE-IVZWLZJFSA-N -1 1 302.342 0.011 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1C1CC1 ZINC001593109781 1167711895 /nfs/dbraw/zinc/71/18/95/1167711895.db2.gz OXYCDPDIXKTTHV-JTQLQIEISA-N -1 1 317.357 0.042 20 0 DCADMM O=C(NCc1cc2n(n1)CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593123457 1167715484 /nfs/dbraw/zinc/71/54/84/1167715484.db2.gz GPBMUJTYVRKXHA-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(NCc1cc2n(n1)CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593123457 1167715491 /nfs/dbraw/zinc/71/54/91/1167715491.db2.gz GPBMUJTYVRKXHA-UHFFFAOYSA-N -1 1 324.348 0.725 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@H]1CCOC1 ZINC001593151477 1167727573 /nfs/dbraw/zinc/72/75/73/1167727573.db2.gz YSHMAKIMIPCFHC-SSDOTTSWSA-N -1 1 309.355 0.159 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@H]1CCOC1 ZINC001593151477 1167727581 /nfs/dbraw/zinc/72/75/81/1167727581.db2.gz YSHMAKIMIPCFHC-SSDOTTSWSA-N -1 1 309.355 0.159 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC(CF)CF ZINC001593150469 1167727702 /nfs/dbraw/zinc/72/77/02/1167727702.db2.gz JUVSUTGIADHJTI-UHFFFAOYSA-N -1 1 303.298 0.430 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC(CF)CF ZINC001593150469 1167727709 /nfs/dbraw/zinc/72/77/09/1167727709.db2.gz JUVSUTGIADHJTI-UHFFFAOYSA-N -1 1 303.298 0.430 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2ccccc2c(=O)o1 ZINC001593196970 1167735831 /nfs/dbraw/zinc/73/58/31/1167735831.db2.gz BWUQDKOONWGWLS-UHFFFAOYSA-N -1 1 323.272 0.949 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2ccccc2c(=O)o1 ZINC001593196970 1167735837 /nfs/dbraw/zinc/73/58/37/1167735837.db2.gz BWUQDKOONWGWLS-UHFFFAOYSA-N -1 1 323.272 0.949 20 0 DCADMM O=C(Nc1n[nH]c2[nH]c(=O)ccc12)c1ccc(-c2nn[n-]n2)o1 ZINC001593196932 1167735910 /nfs/dbraw/zinc/73/59/10/1167735910.db2.gz VVRUYGQSXSMGTO-UHFFFAOYSA-N -1 1 312.249 0.689 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccn(C2CC2)c1=O ZINC001593198996 1167736208 /nfs/dbraw/zinc/73/62/08/1167736208.db2.gz CZNUYYUDYRZJMK-UHFFFAOYSA-N -1 1 312.293 0.339 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1CCO ZINC001593243331 1167744265 /nfs/dbraw/zinc/74/42/65/1167744265.db2.gz CULPZMIUPGQIKF-VIFPVBQESA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1CCO ZINC001593243331 1167744272 /nfs/dbraw/zinc/74/42/72/1167744272.db2.gz CULPZMIUPGQIKF-VIFPVBQESA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCO[C@H](CCF)C1 ZINC001593243559 1167744584 /nfs/dbraw/zinc/74/45/84/1167744584.db2.gz GRCRHXCDRRWMMK-SECBINFHSA-N -1 1 321.316 0.854 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCO[C@H](CCF)C1 ZINC001593243559 1167744594 /nfs/dbraw/zinc/74/45/94/1167744594.db2.gz GRCRHXCDRRWMMK-SECBINFHSA-N -1 1 321.316 0.854 20 0 DCADMM O=C(Nc1cnn(CCF)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593259280 1167745770 /nfs/dbraw/zinc/74/57/70/1167745770.db2.gz LCDIRQIQIAQIOJ-UHFFFAOYSA-N -1 1 302.273 0.680 20 0 DCADMM O=C(Nc1cnn(CCF)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593259280 1167745777 /nfs/dbraw/zinc/74/57/77/1167745777.db2.gz LCDIRQIQIAQIOJ-UHFFFAOYSA-N -1 1 302.273 0.680 20 0 DCADMM O=C(OC[C@H]1CCC2(COC2)O1)c1coc(-c2nnn[n-]2)c1 ZINC001593284383 1167758631 /nfs/dbraw/zinc/75/86/31/1167758631.db2.gz MXQJBBXMVMDTRE-SECBINFHSA-N -1 1 306.278 0.565 20 0 DCADMM O=C(OC[C@H]1CCC2(COC2)O1)c1coc(-c2nn[n-]n2)c1 ZINC001593284383 1167758635 /nfs/dbraw/zinc/75/86/35/1167758635.db2.gz MXQJBBXMVMDTRE-SECBINFHSA-N -1 1 306.278 0.565 20 0 DCADMM O=C(OC[C@H]1COCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593286243 1167761600 /nfs/dbraw/zinc/76/16/00/1167761600.db2.gz FRQILDJSGTYMFD-MRVPVSSYSA-N -1 1 308.269 0.578 20 0 DCADMM O=C(OC[C@H]1COCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593286243 1167761607 /nfs/dbraw/zinc/76/16/07/1167761607.db2.gz FRQILDJSGTYMFD-MRVPVSSYSA-N -1 1 308.269 0.578 20 0 DCADMM O=C(OCOc1ccc(F)nc1-c1nn[n-]n1)N1CCCC1 ZINC001593291505 1167765161 /nfs/dbraw/zinc/76/51/61/1167765161.db2.gz UBFNUEYJIRJIAF-UHFFFAOYSA-N -1 1 308.273 0.970 20 0 DCADMM O=C(OCCn1cnccc1=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593291572 1167765230 /nfs/dbraw/zinc/76/52/30/1167765230.db2.gz XLXBANGXYGGBDX-UHFFFAOYSA-N -1 1 318.318 0.342 20 0 DCADMM O=C(OCCn1cnccc1=O)c1ccc(-c2nn[n-]n2)s1 ZINC001593291572 1167765234 /nfs/dbraw/zinc/76/52/34/1167765234.db2.gz XLXBANGXYGGBDX-UHFFFAOYSA-N -1 1 318.318 0.342 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001593336786 1167777850 /nfs/dbraw/zinc/77/78/50/1167777850.db2.gz BBMQUUDHUKPXDA-YPMHNXCESA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001593336786 1167777857 /nfs/dbraw/zinc/77/78/57/1167777857.db2.gz BBMQUUDHUKPXDA-YPMHNXCESA-N -1 1 314.349 0.903 20 0 DCADMM O=C(C[C@H]1CCC(=O)NC1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001593390546 1167801267 /nfs/dbraw/zinc/80/12/67/1167801267.db2.gz LPPURXGOBWJONU-MRVPVSSYSA-N -1 1 321.362 0.888 20 0 DCADMM O=C1CCCCCN1CCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001593392762 1167806925 /nfs/dbraw/zinc/80/69/25/1167806925.db2.gz DHQUFERWJKYWKI-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C1CCCCCN1CCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001593392762 1167806932 /nfs/dbraw/zinc/80/69/32/1167806932.db2.gz DHQUFERWJKYWKI-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CN1C1CC1 ZINC001593398840 1167810917 /nfs/dbraw/zinc/81/09/17/1167810917.db2.gz IVMBPWWSOGGYPA-UHFFFAOYSA-N -1 1 322.332 0.578 20 0 DCADMM O=C1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CN1C1CC1 ZINC001593398840 1167810929 /nfs/dbraw/zinc/81/09/29/1167810929.db2.gz IVMBPWWSOGGYPA-UHFFFAOYSA-N -1 1 322.332 0.578 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC(=O)Nc2cnccc21 ZINC001593398109 1167811615 /nfs/dbraw/zinc/81/16/15/1167811615.db2.gz NPJGNUIEINUMTG-UHFFFAOYSA-N -1 1 311.261 0.454 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC(=O)Nc2cnccc21 ZINC001593398109 1167811628 /nfs/dbraw/zinc/81/16/28/1167811628.db2.gz NPJGNUIEINUMTG-UHFFFAOYSA-N -1 1 311.261 0.454 20 0 DCADMM O=C1NCCN1C1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001593407463 1167817816 /nfs/dbraw/zinc/81/78/16/1167817816.db2.gz KUEJWXIYWWSFED-UHFFFAOYSA-N -1 1 314.353 0.256 20 0 DCADMM O=C1NCCN1C1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001593407463 1167817827 /nfs/dbraw/zinc/81/78/27/1167817827.db2.gz KUEJWXIYWWSFED-UHFFFAOYSA-N -1 1 314.353 0.256 20 0 DCADMM O=C1NCCC[C@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593408929 1167820293 /nfs/dbraw/zinc/82/02/93/1167820293.db2.gz QXVKPNBVIFWYTA-YFKPBYRVSA-N -1 1 313.774 0.915 20 0 DCADMM O=C1NCCC[C@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593408929 1167820302 /nfs/dbraw/zinc/82/03/02/1167820302.db2.gz QXVKPNBVIFWYTA-YFKPBYRVSA-N -1 1 313.774 0.915 20 0 DCADMM O=S(=O)(NC[C@@H]1CCC=CO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593438760 1167841606 /nfs/dbraw/zinc/84/16/06/1167841606.db2.gz MBHBICCVGSXTNQ-VIFPVBQESA-N -1 1 322.350 0.233 20 0 DCADMM O=S(=O)(NC[C@@H]1CCC=CO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593438760 1167841612 /nfs/dbraw/zinc/84/16/12/1167841612.db2.gz MBHBICCVGSXTNQ-VIFPVBQESA-N -1 1 322.350 0.233 20 0 DCADMM O=S(=O)(NCc1cc[nH]n1)c1ccsc1-c1nn[n-]n1 ZINC001593444653 1167844199 /nfs/dbraw/zinc/84/41/99/1167844199.db2.gz YPHCEMKDLDXEOG-UHFFFAOYSA-N -1 1 311.352 0.130 20 0 DCADMM O=S(=O)(Oc1ccc(F)nc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593448593 1167844298 /nfs/dbraw/zinc/84/42/98/1167844298.db2.gz UFZSMTBQCCBQPS-UHFFFAOYSA-N -1 1 311.254 0.762 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]1C1CC1 ZINC001593452535 1167845741 /nfs/dbraw/zinc/84/57/41/1167845741.db2.gz XNSODMDXNHJSQN-LLVKDONJSA-N -1 1 306.351 0.435 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]1C1CC1 ZINC001593452535 1167845750 /nfs/dbraw/zinc/84/57/50/1167845750.db2.gz XNSODMDXNHJSQN-LLVKDONJSA-N -1 1 306.351 0.435 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CC2CCC1CC2 ZINC001593457255 1167848833 /nfs/dbraw/zinc/84/88/33/1167848833.db2.gz KBYWBHMGCUAVKF-UHFFFAOYSA-N -1 1 320.378 0.825 20 0 DCADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CCC(O)CC1 ZINC001593462242 1167850653 /nfs/dbraw/zinc/85/06/53/1167850653.db2.gz XKHRBDAUCKCDJD-UHFFFAOYSA-N -1 1 315.380 0.074 20 0 DCADMM O=c1[nH]c2ccc(CNc3ncncc3-c3nn[n-]n3)cc2[nH]1 ZINC001593489690 1167871266 /nfs/dbraw/zinc/87/12/66/1167871266.db2.gz WEBAVDMCNADOFR-UHFFFAOYSA-N -1 1 309.293 0.851 20 0 DCADMM O=c1[nH]c2ccccc2n1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001593489205 1167871494 /nfs/dbraw/zinc/87/14/94/1167871494.db2.gz DPIULKKQZDFUDB-UHFFFAOYSA-N -1 1 323.320 0.824 20 0 DCADMM O=c1[nH]c2ccccc2n1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001593489205 1167871510 /nfs/dbraw/zinc/87/15/10/1167871510.db2.gz DPIULKKQZDFUDB-UHFFFAOYSA-N -1 1 323.320 0.824 20 0 DCADMM O=c1c(-c2nnn[n-]2)cccn1CN1CC[C@H]2CSC[C@@H]2C1 ZINC001593492347 1167875888 /nfs/dbraw/zinc/87/58/88/1167875888.db2.gz HOPAKXJKWGMJDL-QWRGUYRKSA-N -1 1 318.406 0.671 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cccc2c1CCOC2 ZINC001593495458 1167880456 /nfs/dbraw/zinc/88/04/56/1167880456.db2.gz CIAUCRQLPGTLJT-UHFFFAOYSA-N -1 1 310.317 0.544 20 0 DCADMM OC[C@H](CNc1nccnc1-c1nnn[n-]1)CC1CCOCC1 ZINC001593522632 1167897765 /nfs/dbraw/zinc/89/77/65/1167897765.db2.gz GAXUXIVQZWIQDY-NSHDSACASA-N -1 1 319.369 0.494 20 0 DCADMM OC[C@H](CNc1nccnc1-c1nn[n-]n1)CC1CCOCC1 ZINC001593522632 1167897775 /nfs/dbraw/zinc/89/77/75/1167897775.db2.gz GAXUXIVQZWIQDY-NSHDSACASA-N -1 1 319.369 0.494 20 0 DCADMM Oc1ccc2c(c1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001593540438 1167922146 /nfs/dbraw/zinc/92/21/46/1167922146.db2.gz VVTISDLHWNFCGL-UHFFFAOYSA-N -1 1 309.333 0.968 20 0 DCADMM c1cc(CN2CCOC[C@@H]2[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001593555460 1167937328 /nfs/dbraw/zinc/93/73/28/1167937328.db2.gz LMNJUIDYCCSWHB-KGLIPLIRSA-N -1 1 316.365 0.642 20 0 DCADMM c1cc(NCc2ccc3c(c2)OCCO3)nc(-c2nn[n-]n2)n1 ZINC001593560838 1167940672 /nfs/dbraw/zinc/94/06/72/1167940672.db2.gz ISLXMHPDOIMQDE-UHFFFAOYSA-N -1 1 311.305 0.462 20 0 DCADMM c1ccc(-n2nnnc2CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593571384 1167944320 /nfs/dbraw/zinc/94/43/20/1167944320.db2.gz WRGIJPOYSTUJNS-UHFFFAOYSA-N -1 1 321.308 0.245 20 0 DCADMM c1ccc(-n2nnnc2CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593571384 1167944324 /nfs/dbraw/zinc/94/43/24/1167944324.db2.gz WRGIJPOYSTUJNS-UHFFFAOYSA-N -1 1 321.308 0.245 20 0 DCADMM c1nc(-c2nn[n-]n2)nn1CC[NH2+]Cc1cccc2c1OCC2 ZINC001593566779 1167948013 /nfs/dbraw/zinc/94/80/13/1167948013.db2.gz QVPALOCSMYPBPK-UHFFFAOYSA-N -1 1 312.337 0.183 20 0 DCADMM c1cn(CC2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)nn1 ZINC001593583215 1167948616 /nfs/dbraw/zinc/94/86/16/1167948616.db2.gz RUXGCVNOBYVWDY-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1cn(CC2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)nn1 ZINC001593583215 1167948623 /nfs/dbraw/zinc/94/86/23/1167948623.db2.gz RUXGCVNOBYVWDY-UHFFFAOYSA-N -1 1 311.353 0.770 20 0 DCADMM c1cnc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nc1 ZINC001593583786 1167950510 /nfs/dbraw/zinc/95/05/10/1167950510.db2.gz ONBUSLQCUQULAI-UHFFFAOYSA-N -1 1 309.337 0.831 20 0 DCADMM c1cnc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nc1 ZINC001593583786 1167950516 /nfs/dbraw/zinc/95/05/16/1167950516.db2.gz ONBUSLQCUQULAI-UHFFFAOYSA-N -1 1 309.337 0.831 20 0 DCADMM c1cnc(N2CCc3nc(C4CC4)ncc3C2)c(-c2nnn[n-]2)n1 ZINC001593585239 1167952155 /nfs/dbraw/zinc/95/21/55/1167952155.db2.gz WRIUHAOBIWZGDV-UHFFFAOYSA-N -1 1 321.348 0.887 20 0 DCADMM c1cnc(N2CCc3nc(C4CC4)ncc3C2)c(-c2nn[n-]n2)n1 ZINC001593585239 1167952158 /nfs/dbraw/zinc/95/21/58/1167952158.db2.gz WRIUHAOBIWZGDV-UHFFFAOYSA-N -1 1 321.348 0.887 20 0 DCADMM c1cnn(-c2ncccc2CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001593584290 1167952571 /nfs/dbraw/zinc/95/25/71/1167952571.db2.gz KSKITUHGMFVXDN-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cnn(-c2ncccc2CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001593584290 1167952575 /nfs/dbraw/zinc/95/25/75/1167952575.db2.gz KSKITUHGMFVXDN-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cnc(N2CCN(c3cccnc3-c3nnn[n-]3)CC2)nc1 ZINC001593584615 1167952881 /nfs/dbraw/zinc/95/28/81/1167952881.db2.gz LTYMBYPMPBWEAB-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM c1cnc(N2CCN(c3cccnc3-c3nn[n-]n3)CC2)nc1 ZINC001593584615 1167952884 /nfs/dbraw/zinc/95/28/84/1167952884.db2.gz LTYMBYPMPBWEAB-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CC(c3ncc(C4CC4)cn3)C2)n1 ZINC001593592447 1167953829 /nfs/dbraw/zinc/95/38/29/1167953829.db2.gz XPBZECWCWWMRCR-UHFFFAOYSA-N -1 1 321.348 0.928 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCC(O[C@@H]3CCOC3)CC2)n1 ZINC001593590242 1167954318 /nfs/dbraw/zinc/95/43/18/1167954318.db2.gz 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306.362 0.521 20 0 DCADMM Cc1ccc(NC(=O)C(=O)N(C)Cc2nnc[nH]2)cc1C(=O)[O-] ZINC001600438265 1168184228 /nfs/dbraw/zinc/18/42/28/1168184228.db2.gz DQSYNUQMXPBGLD-UHFFFAOYSA-N -1 1 317.305 0.408 20 0 DCADMM Cc1csc(CNC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)n1 ZINC001600660570 1168233503 /nfs/dbraw/zinc/23/35/03/1168233503.db2.gz LKVLVUXLDHWXES-GZMMTYOYSA-N -1 1 304.393 0.429 20 0 DCADMM Cc1[nH]ncc1CNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001600674001 1168244252 /nfs/dbraw/zinc/24/42/52/1168244252.db2.gz BXYMCGGLELJLCQ-SNVBAGLBSA-N -1 1 318.337 0.947 20 0 DCADMM Cc1ncoc1CNC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1 ZINC001600757760 1168279913 /nfs/dbraw/zinc/27/99/13/1168279913.db2.gz BUCYJFSJDRQBGF-GHMZBOCLSA-N -1 1 307.350 0.832 20 0 DCADMM Cc1nnc(SCCC(=O)NC2(C(=O)[O-])CCOCC2)[nH]1 ZINC001600799407 1168299975 /nfs/dbraw/zinc/29/99/75/1168299975.db2.gz PBDCFYKBMVIANH-UHFFFAOYSA-N -1 1 314.367 0.345 20 0 DCADMM Cc1oc(C(=O)[O-])cc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC001600825305 1168478058 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20 0 DCADMM C[C@H](CNC(=O)C1CC(C)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603844008 1169409862 /nfs/dbraw/zinc/40/98/62/1169409862.db2.gz WHTNKFRORMOUMF-HWOCKDDLSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)Cn1ncnc1CN1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001603866508 1169417092 /nfs/dbraw/zinc/41/70/92/1169417092.db2.gz RYEIOPRFIPFSCI-SWLSCSKDSA-N -1 1 308.382 0.857 20 0 DCADMM C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001603886065 1169420709 /nfs/dbraw/zinc/42/07/09/1169420709.db2.gz ZIMFYXSGLCUWIO-QWRGUYRKSA-N -1 1 316.365 0.818 20 0 DCADMM C[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)O1 ZINC001603878029 1169421105 /nfs/dbraw/zinc/42/11/05/1169421105.db2.gz GJYJCDKAFRQSPS-RKDXNWHRSA-N -1 1 324.366 0.108 20 0 DCADMM C[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)O1 ZINC001603878029 1169421108 /nfs/dbraw/zinc/42/11/08/1169421108.db2.gz GJYJCDKAFRQSPS-RKDXNWHRSA-N -1 1 324.366 0.108 20 0 DCADMM CC1CCC(N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001603878669 1169421383 /nfs/dbraw/zinc/42/13/83/1169421383.db2.gz WRXKRSOILFXYSL-UHFFFAOYSA-N -1 1 304.358 0.495 20 0 DCADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001603889551 1169422983 /nfs/dbraw/zinc/42/29/83/1169422983.db2.gz CQVYJPWVTXMKAB-MWLCHTKSSA-N -1 1 304.358 0.495 20 0 DCADMM CC(C)N1CCC[C@@H](N2CCN(CCC(=O)[O-])C[C@@H]2C)C1=O ZINC001603893301 1169423617 /nfs/dbraw/zinc/42/36/17/1169423617.db2.gz IWTPSWREIOWFGK-UONOGXRCSA-N -1 1 311.426 0.867 20 0 DCADMM C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001603889549 1169423971 /nfs/dbraw/zinc/42/39/71/1169423971.db2.gz CQVYJPWVTXMKAB-GXSJLCMTSA-N -1 1 304.358 0.495 20 0 DCADMM C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603896292 1169425869 /nfs/dbraw/zinc/42/58/69/1169425869.db2.gz PECMEFQMRBJVSF-VIFPVBQESA-N -1 1 315.337 0.601 20 0 DCADMM C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603896292 1169425870 /nfs/dbraw/zinc/42/58/70/1169425870.db2.gz PECMEFQMRBJVSF-VIFPVBQESA-N -1 1 315.337 0.601 20 0 DCADMM C/C=C(/C)C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001603964266 1169455697 /nfs/dbraw/zinc/45/56/97/1169455697.db2.gz VQAHSNNAQPOVDN-OQFOIZHKSA-N -1 1 302.342 0.541 20 0 DCADMM C/C=C(/C)C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001603964266 1169455700 /nfs/dbraw/zinc/45/57/00/1169455700.db2.gz VQAHSNNAQPOVDN-OQFOIZHKSA-N -1 1 302.342 0.541 20 0 DCADMM CCC(=O)N[C@H](C)CCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001603970406 1169457593 /nfs/dbraw/zinc/45/75/93/1169457593.db2.gz XUEMWJNNONHCHH-SNVBAGLBSA-N -1 1 318.385 0.576 20 0 DCADMM CCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001603969212 1169457646 /nfs/dbraw/zinc/45/76/46/1169457646.db2.gz NCRSCZFTXUHXNV-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM CCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001603969212 1169457651 /nfs/dbraw/zinc/45/76/51/1169457651.db2.gz NCRSCZFTXUHXNV-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM CCC(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001603968136 1169458472 /nfs/dbraw/zinc/45/84/72/1169458472.db2.gz WHAUVPCLQDPRKZ-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001603968136 1169458476 /nfs/dbraw/zinc/45/84/76/1169458476.db2.gz WHAUVPCLQDPRKZ-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)NCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001603972973 1169459723 /nfs/dbraw/zinc/45/97/23/1169459723.db2.gz ZSVJMOZSNJJIGD-UHFFFAOYSA-N -1 1 302.342 0.436 20 0 DCADMM CCC(=O)NCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001603972973 1169459728 /nfs/dbraw/zinc/45/97/28/1169459728.db2.gz ZSVJMOZSNJJIGD-UHFFFAOYSA-N -1 1 302.342 0.436 20 0 DCADMM CCC(C)(C)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001603981912 1169463291 /nfs/dbraw/zinc/46/32/91/1169463291.db2.gz PVBLLYSSJVWRLB-UHFFFAOYSA-N -1 1 307.358 0.904 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001603995981 1169468561 /nfs/dbraw/zinc/46/85/61/1169468561.db2.gz YBRRTXWUGXHFBP-LPEHRKFASA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001603995981 1169468565 /nfs/dbraw/zinc/46/85/65/1169468565.db2.gz YBRRTXWUGXHFBP-LPEHRKFASA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@H](C)NC(=O)[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001604008120 1169469877 /nfs/dbraw/zinc/46/98/77/1169469877.db2.gz VAXFLJISBUUQIR-JGVFFNPUSA-N -1 1 304.358 0.680 20 0 DCADMM CC[C@H](C)NC(=O)[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001604008120 1169469880 /nfs/dbraw/zinc/46/98/80/1169469880.db2.gz VAXFLJISBUUQIR-JGVFFNPUSA-N -1 1 304.358 0.680 20 0 DCADMM CC[C@@H](C)N(CC)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001604005985 1169470858 /nfs/dbraw/zinc/47/08/58/1169470858.db2.gz CUQHMUBZYCOZBC-SECBINFHSA-N -1 1 307.362 0.288 20 0 DCADMM CC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CC1(C)C ZINC001604047910 1169478511 /nfs/dbraw/zinc/47/85/11/1169478511.db2.gz SAGJOEUPVGVJGG-RKDXNWHRSA-N -1 1 304.358 0.399 20 0 DCADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1cnn(C)c1 ZINC001604064211 1169484018 /nfs/dbraw/zinc/48/40/18/1169484018.db2.gz AWPFWHQLZWRTBM-CHWSQXEVSA-N 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ZINC001604112959 1169494939 /nfs/dbraw/zinc/49/49/39/1169494939.db2.gz ILRVKDDFKMUXKD-NWDGAFQWSA-N -1 1 320.393 0.522 20 0 DCADMM C[C@@H](C[C@H](C)Nc1ncc(C(=O)[O-])cn1)NC(=O)c1cnn[nH]1 ZINC001604124725 1169500172 /nfs/dbraw/zinc/50/01/72/1169500172.db2.gz FIXNZEPLIGRHPQ-YUMQZZPRSA-N -1 1 319.325 0.302 20 0 DCADMM CCCC(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001604126053 1169500298 /nfs/dbraw/zinc/50/02/98/1169500298.db2.gz VCJXGJJSVVRCQC-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001604126053 1169500307 /nfs/dbraw/zinc/50/03/07/1169500307.db2.gz VCJXGJJSVVRCQC-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCC[C@@H](C)[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001604135357 1169503688 /nfs/dbraw/zinc/50/36/88/1169503688.db2.gz UVQBYKXXQGGNBY-SKDRFNHKSA-N -1 1 304.354 0.789 20 0 DCADMM CCC[C@@H](C)[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001604135357 1169503695 /nfs/dbraw/zinc/50/36/95/1169503695.db2.gz UVQBYKXXQGGNBY-SKDRFNHKSA-N -1 1 304.354 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Cc1cc(N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605689673 1169985010 /nfs/dbraw/zinc/98/50/10/1169985010.db2.gz WWNMVBMYLPNXTH-AOOOYVTPSA-N -1 1 322.394 0.582 20 0 DCADMM CCc1cc2c(C[NH2+][C@](C)(CO)C(=O)[O-])cc(=O)oc2cc1[O-] ZINC001605802371 1170004438 /nfs/dbraw/zinc/00/44/38/1170004438.db2.gz LLCGZQVGJHUIRG-MRXNPFEDSA-N -1 1 321.329 0.986 20 0 DCADMM Cc1ccc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)s1 ZINC001605820601 1170008107 /nfs/dbraw/zinc/00/81/07/1170008107.db2.gz RFXQMGOBCAWIPM-UHFFFAOYSA-N -1 1 304.339 0.258 20 0 DCADMM CCc1noc(C)c1CNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001605873172 1170017975 /nfs/dbraw/zinc/01/79/75/1170017975.db2.gz IWFIRGKXRRUOHB-LLVKDONJSA-N -1 1 324.381 0.703 20 0 DCADMM Cc1ccn(CN(C)C[C@H]2CCCOC2)c(=O)c1-c1nn[n-]n1 ZINC001605949562 1170033369 /nfs/dbraw/zinc/03/33/69/1170033369.db2.gz RREIRTNIINOEJT-GFCCVEGCSA-N -1 1 318.381 0.653 20 0 DCADMM Cc1ccncc1OS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001605962894 1170037762 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/nfs/dbraw/zinc/09/82/30/1170098230.db2.gz PWSULLYCNGGUCK-ZETCQYMHSA-N -1 1 313.264 0.610 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1ncn(C)n1 ZINC001606167841 1170099295 /nfs/dbraw/zinc/09/92/95/1170099295.db2.gz YGHUQTMNIXCSDE-ZCFIWIBFSA-N -1 1 302.298 0.388 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1ncn(C)n1 ZINC001606167841 1170099304 /nfs/dbraw/zinc/09/93/04/1170099304.db2.gz YGHUQTMNIXCSDE-ZCFIWIBFSA-N -1 1 302.298 0.388 20 0 DCADMM C[N@H+]1CCN(C(=O)c2cc(F)cc3nc[nH]c32)C[C@@H](C(=O)[O-])C1 ZINC001606236255 1170130752 /nfs/dbraw/zinc/13/07/52/1170130752.db2.gz VFSYBKAJBZAWFC-VIFPVBQESA-N -1 1 320.324 0.790 20 0 DCADMM Cn1cc(Cl)c(CNCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001606242150 1170133711 /nfs/dbraw/zinc/13/37/11/1170133711.db2.gz LTYDRWUKFWUNRA-UHFFFAOYSA-N -1 1 310.774 1.000 20 0 DCADMM Cn1cc(Cl)c(CNCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001606242150 1170133716 /nfs/dbraw/zinc/13/37/16/1170133716.db2.gz LTYDRWUKFWUNRA-UHFFFAOYSA-N -1 1 310.774 1.000 20 0 DCADMM Cn1cc(N2CC[C@@H](Nc3cc(-c4nnn[n-]4)ncn3)C2)cn1 ZINC001606243207 1170134682 /nfs/dbraw/zinc/13/46/82/1170134682.db2.gz QZJSQWYIKWPIRJ-SECBINFHSA-N -1 1 312.341 0.081 20 0 DCADMM Cn1cc(N2CC[C@@H](Nc3cc(-c4nn[n-]n4)ncn3)C2)cn1 ZINC001606243207 1170134683 /nfs/dbraw/zinc/13/46/83/1170134683.db2.gz QZJSQWYIKWPIRJ-SECBINFHSA-N -1 1 312.341 0.081 20 0 DCADMM Cn1cc(Cn2ccc(-c3nn[n-]n3)cc2=O)c(C(F)F)n1 ZINC001606243245 1170134708 /nfs/dbraw/zinc/13/47/08/1170134708.db2.gz UDARBCKIJKTSRR-UHFFFAOYSA-N -1 1 307.264 0.748 20 0 DCADMM Cn1ccc(-c2cc(C(=O)n3ncc(-c4nn[n-]n4)c3N)n[nH]2)c1 ZINC001606246091 1170135864 /nfs/dbraw/zinc/13/58/64/1170135864.db2.gz BGRBEJQESREEPA-UHFFFAOYSA-N -1 1 324.308 0.063 20 0 DCADMM FC(F)C(F)(F)COCCNc1nccnc1-c1nnn[n-]1 ZINC001606296658 1170152774 /nfs/dbraw/zinc/15/27/74/1170152774.db2.gz MKYOZPWIUYZUJD-UHFFFAOYSA-N -1 1 321.238 0.986 20 0 DCADMM FC(F)C(F)(F)COCCNc1nccnc1-c1nn[n-]n1 ZINC001606296658 1170152776 /nfs/dbraw/zinc/15/27/76/1170152776.db2.gz 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0 DCADMM CO[C@H]1CCN(C(=O)c2cccc3nn[nH]c32)[C@H](C(=O)[O-])C1 ZINC001606753292 1170278993 /nfs/dbraw/zinc/27/89/93/1170278993.db2.gz ILFZEDHQFPCAEP-KWQFWETISA-N -1 1 304.306 0.662 20 0 DCADMM O=C(NC[C@@H](O)C(F)(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001606804032 1170295459 /nfs/dbraw/zinc/29/54/59/1170295459.db2.gz OVOMKKNCSZIHMW-ZCFIWIBFSA-N -1 1 307.257 0.581 20 0 DCADMM COCCNC(=O)C1CCN(Cc2oncc2C(=O)[O-])CC1 ZINC001606896255 1170325778 /nfs/dbraw/zinc/32/57/78/1170325778.db2.gz ZPCPJXUFBOBVNB-UHFFFAOYSA-N -1 1 311.338 0.347 20 0 DCADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1n[nH]c2c1CCC2 ZINC001606985094 1170344954 /nfs/dbraw/zinc/34/49/54/1170344954.db2.gz HHGJADMQMIUZKF-UHFFFAOYSA-N -1 1 317.334 0.892 20 0 DCADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)c1n[nH]c2c1CCC2 ZINC001606985094 1170344961 /nfs/dbraw/zinc/34/49/61/1170344961.db2.gz HHGJADMQMIUZKF-UHFFFAOYSA-N -1 1 317.334 0.892 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H](n2cncn2)C1 ZINC001607016970 1170355506 /nfs/dbraw/zinc/35/55/06/1170355506.db2.gz 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316.321 0.427 20 0 DCADMM O=C1NCCC[C@@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001607053160 1170373095 /nfs/dbraw/zinc/37/30/95/1170373095.db2.gz YARKXCIOTYRWPL-RXMQYKEDSA-N -1 1 313.774 0.915 20 0 DCADMM O=S(=O)(N[C@]12C[C@H]1CCCC2)c1cccnc1-c1nn[n-]n1 ZINC001607059711 1170374612 /nfs/dbraw/zinc/37/46/12/1170374612.db2.gz KZCNINIKTJFRFX-NOZJJQNGSA-N -1 1 320.378 0.873 20 0 DCADMM O[C@@H]([C@@H]1CCN(c2ncncc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001607092036 1170390007 /nfs/dbraw/zinc/39/00/07/1170390007.db2.gz NIYPYNDCEKFJTO-SVRRBLITSA-N -1 1 315.259 0.406 20 0 DCADMM OC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@@H]1CCOC1 ZINC001607104065 1170397092 /nfs/dbraw/zinc/39/70/92/1170397092.db2.gz UUTZBBLGDBAYMQ-MWLCHTKSSA-N -1 1 317.353 0.343 20 0 DCADMM OC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@@H]1CCOC1 ZINC001607104065 1170397094 /nfs/dbraw/zinc/39/70/94/1170397094.db2.gz UUTZBBLGDBAYMQ-MWLCHTKSSA-N -1 1 317.353 0.343 20 0 DCADMM OC[C@@H](Cc1ccc(O)cc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001607107083 1170400274 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COc1cccc([C@H](N)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC001607312728 1170426064 /nfs/dbraw/zinc/42/60/64/1170426064.db2.gz IXRROOUYBZCPJA-JSGCOSHPSA-N -1 1 308.334 0.397 20 0 DCADMM C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H](C)N1CCO ZINC001607472345 1170462623 /nfs/dbraw/zinc/46/26/23/1170462623.db2.gz MJPLFMBJEXYUNQ-XQHKEYJVSA-N -1 1 313.398 0.336 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c1C ZINC001607500453 1170468733 /nfs/dbraw/zinc/46/87/33/1170468733.db2.gz PATIKIGCSXCJST-YTWAJWBKSA-N -1 1 320.349 0.124 20 0 DCADMM Cc1c(C(=O)[O-])cc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C ZINC001607512319 1170471010 /nfs/dbraw/zinc/47/10/10/1170471010.db2.gz WMPCVXVCFFPUMU-MFKMUULPSA-N -1 1 307.350 0.962 20 0 DCADMM Cc1c(C(=O)[O-])cc(CNC(=O)[C@@H]2CN3CCN2C[C@H]3C)n1C ZINC001607512629 1170471076 /nfs/dbraw/zinc/47/10/76/1170471076.db2.gz CRTOMYJBCSWUCL-YGRLFVJLSA-N -1 1 320.393 0.036 20 0 DCADMM Cc1cc(=O)n2nc(NC(=O)c3cc(C(=O)[O-])co3)[nH]c2n1 ZINC001607560838 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DCADMM Cc1nc([C@H](C)NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n[nH]1 ZINC001608014264 1170547888 /nfs/dbraw/zinc/54/78/88/1170547888.db2.gz PZSFIIYWLWKNBQ-FXBDTBDDSA-N -1 1 316.383 0.737 20 0 DCADMM Cc1oc(S(=O)(=O)N2CCN[C@@H](C)[C@H]2C)cc1C(=O)[O-] ZINC001608053674 1170559262 /nfs/dbraw/zinc/55/92/62/1170559262.db2.gz BGFICECYQLPDAR-JGVFFNPUSA-N -1 1 302.352 0.657 20 0 DCADMM Cn1ccc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)n1 ZINC001608130753 1170586935 /nfs/dbraw/zinc/58/69/35/1170586935.db2.gz VRNHTUKNNIXSOI-OJAKKHQRSA-N -1 1 306.366 0.125 20 0 DCADMM Cn1ncc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1N ZINC001608156234 1170600185 /nfs/dbraw/zinc/60/01/85/1170600185.db2.gz YJIICYXFWXCYMJ-UHFFFAOYSA-N -1 1 300.278 0.829 20 0 DCADMM Cn1nccc1CN1CCC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001608166069 1170605519 /nfs/dbraw/zinc/60/55/19/1170605519.db2.gz ZKKKNNFWGPBDCQ-ZIAGYGMSSA-N -1 1 320.393 0.469 20 0 DCADMM [NH3+]CC[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(=O)[O-])C(F)F ZINC001608257388 1170633995 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CCCOCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001758745214 1189976532 /nfs/dbraw/zinc/97/65/32/1189976532.db2.gz TVSVBOLSNKMWJO-YABSGUDNSA-N -1 1 319.361 0.400 20 0 DCADMM C[C@@H](CNC(=O)N1CCC[C@H](CN2CCOCC2)C1)C(=O)[O-] ZINC001771768609 1190494923 /nfs/dbraw/zinc/49/49/23/1190494923.db2.gz LRCROKRPZAGLON-QWHCGFSZSA-N -1 1 313.398 0.461 20 0 DCADMM O=C([O-])c1cc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)[nH]n1 ZINC001771908319 1190550894 /nfs/dbraw/zinc/55/08/94/1190550894.db2.gz MHNBJQXFWPOXIH-LLVKDONJSA-N -1 1 306.366 0.846 20 0 DCADMM COCCn1c(Cc2nnn[n-]2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001772296468 1190656287 /nfs/dbraw/zinc/65/62/87/1190656287.db2.gz XRXFLRRURRGYDQ-NXEZZACHSA-N -1 1 306.374 0.263 20 0 DCADMM COCCn1c(Cc2nn[n-]n2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001772296468 1190656289 /nfs/dbraw/zinc/65/62/89/1190656289.db2.gz XRXFLRRURRGYDQ-NXEZZACHSA-N -1 1 306.374 0.263 20 0 DCADMM COCCn1c(Cc2nnn[n-]2)nnc1N1CCCC2(CC2)C1 ZINC001772296033 1190656471 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Cc1cnc(CN2CC(N(C)C(=O)c3ncccc3[O-])C2)cn1 ZINC001042646303 751805935 /nfs/dbraw/zinc/80/59/35/751805935.db2.gz OKRZMKLWMLZMFO-UHFFFAOYSA-N -1 1 313.361 0.842 20 0 DCADMM CC1(C(=O)N2CC(O)(CNC(=O)c3ncccc3[O-])C2)CCC1 ZINC001042719748 751862353 /nfs/dbraw/zinc/86/23/53/751862353.db2.gz KEAVIKRIMVCIBF-UHFFFAOYSA-N -1 1 319.361 0.281 20 0 DCADMM CN(C(=O)C[C@@H]1C=CCCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001043059965 752055403 /nfs/dbraw/zinc/05/54/03/752055403.db2.gz NXCDNSXPGYAILM-GFCCVEGCSA-N -1 1 319.409 0.497 20 0 DCADMM Cc1cc2c(c(N3CCC(n4cnnc4)CC3)n1)C(=O)[N-]C2=O ZINC001167115648 746989641 /nfs/dbraw/zinc/98/96/41/746989641.db2.gz CPLLWCBMHXKNAF-UHFFFAOYSA-N -1 1 312.333 0.707 20 0 DCADMM CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(CCC2CCCC2)C1 ZINC001043232518 752144641 /nfs/dbraw/zinc/14/46/41/752144641.db2.gz JKDCGQFATSRWKN-UHFFFAOYSA-N -1 1 321.381 0.619 20 0 DCADMM COc1ccc(OC)c(CC(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)c1 ZINC001143488682 747858580 /nfs/dbraw/zinc/85/85/80/747858580.db2.gz 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749832374 /nfs/dbraw/zinc/83/23/74/749832374.db2.gz QQQZRYZDEQSIBO-WZRBSPASSA-N -1 1 321.425 0.624 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C2CC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088806755 750049827 /nfs/dbraw/zinc/04/98/27/750049827.db2.gz XYTZHDNCKLVBJF-PWSUYJOCSA-N -1 1 321.425 0.624 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)[C@@]3(C)CCCS3(=O)=O)ccnc1-2 ZINC000904936413 750429752 /nfs/dbraw/zinc/42/97/52/750429752.db2.gz OJIASFWNUXJOKS-CYBMUJFWSA-N -1 1 308.363 0.248 20 0 DCADMM CC(C)OCC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC001071748357 762106803 /nfs/dbraw/zinc/10/68/03/762106803.db2.gz CRXPZQXXOPKMKD-RYUDHWBXSA-N -1 1 321.377 0.789 20 0 DCADMM CCC(CC)[C@@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001113049204 762112345 /nfs/dbraw/zinc/11/23/45/762112345.db2.gz HCWURIZURRMMSV-GFCCVEGCSA-N -1 1 323.441 0.825 20 0 DCADMM CSc1nc(CNC(=O)C=CCn2cncn2)cc(=O)[n-]1 ZINC001143620138 762116730 /nfs/dbraw/zinc/11/67/30/762116730.db2.gz MBTYXZRSUNDIPI-NSCUHMNNSA-N -1 1 306.351 0.368 20 0 DCADMM COC[C@@H](C)N1CCO[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001107890649 752488355 /nfs/dbraw/zinc/48/83/55/752488355.db2.gz RRFJCVIPFOBSTK-WBMJQRKESA-N -1 1 323.393 0.643 20 0 DCADMM C[C@@H]1CC[C@@H](C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)C1 ZINC001044003791 752513209 /nfs/dbraw/zinc/51/32/09/752513209.db2.gz WPWWHFKYRVGNHC-GHMZBOCLSA-N -1 1 307.398 0.187 20 0 DCADMM O=C(C[C@H]1C=CCC1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044916556 752930661 /nfs/dbraw/zinc/93/06/61/752930661.db2.gz CHKVRVROUHDSDH-RYUDHWBXSA-N -1 1 305.382 0.947 20 0 DCADMM Cc1[nH]nc(C(=O)N2CCC[C@H]2CNCc2ccn(C)n2)c1[O-] ZINC001044999137 752985637 /nfs/dbraw/zinc/98/56/37/752985637.db2.gz RGABBLDILNTRCU-LBPRGKRZSA-N -1 1 318.381 0.552 20 0 DCADMM C[C@H](C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1)C(F)(F)F ZINC001045154479 753064767 /nfs/dbraw/zinc/06/47/67/753064767.db2.gz CVYJZWMIYVEEGT-SFYZADRCSA-N -1 1 321.303 0.789 20 0 DCADMM CC(C)CC(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078322519 753174052 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C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C)CN1Cc1nc(=O)n(C)[n-]1 ZINC001072016387 762298171 /nfs/dbraw/zinc/29/81/71/762298171.db2.gz QJIHJEYHGVPMDP-GHMZBOCLSA-N -1 1 309.414 0.624 20 0 DCADMM CC[C@H](OC)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001062675926 754872183 /nfs/dbraw/zinc/87/21/83/754872183.db2.gz QBVYMQZXEFMBFR-LBPRGKRZSA-N -1 1 321.377 0.981 20 0 DCADMM CC(C)=CC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1nc(=O)n(C)[n-]1 ZINC001049294097 755217877 /nfs/dbraw/zinc/21/78/77/755217877.db2.gz YIIZAFNPJCJIKY-QWHCGFSZSA-N -1 1 319.409 0.640 20 0 DCADMM CC[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1nc(=O)n(C)[n-]1 ZINC001049345067 755228589 /nfs/dbraw/zinc/22/85/89/755228589.db2.gz SJSSKSFPLMHMQB-AVGNSLFASA-N -1 1 321.425 0.720 20 0 DCADMM CCc1ncoc1C(=O)NCC1(NC(=O)c2cnn[nH]2)CCC1 ZINC001064462173 755409032 /nfs/dbraw/zinc/40/90/32/755409032.db2.gz PZWQKRBLCPGDSF-UHFFFAOYSA-N -1 1 318.337 0.438 20 0 DCADMM Cc1noc(CN2C[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001079609593 755923322 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JSCHDYRJEQIWKR-SSDOTTSWSA-N -1 1 305.216 0.503 20 0 DCADMM Cc1cc(CN(CCO)CCN2CCOCC2)[nH]c1C(=O)[O-] ZINC001600189955 1168133884 /nfs/dbraw/zinc/13/38/84/1168133884.db2.gz FGOXOJKQMOHEAU-UHFFFAOYSA-N -1 1 311.382 0.148 20 0 DCADMM NC(=O)[C@H](NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)c1ccc(F)cc1 ZINC001601138645 1168595690 /nfs/dbraw/zinc/59/56/90/1168595690.db2.gz FCBIEUJPHUWFSL-OPRDCNLKSA-N -1 1 302.252 0.908 20 0 DCADMM O=C([O-])c1n[nH]cc1NC(=O)c1cc(Br)n[nH]1 ZINC001601580684 1168791187 /nfs/dbraw/zinc/79/11/87/1168791187.db2.gz LZBLGMAEAUQDDS-UHFFFAOYSA-N -1 1 300.072 0.846 20 0 DCADMM Cc1noc(C)c1[C@H](C)C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1 ZINC001317639972 945133731 /nfs/dbraw/zinc/13/37/31/945133731.db2.gz PKESBFQRCOTAFZ-QMMMGPOBSA-N -1 1 322.369 0.467 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CCc2cccnc21)NCc1n[nH]c(=O)[n-]1 ZINC001491562642 945155930 /nfs/dbraw/zinc/15/59/30/945155930.db2.gz BFPCDBJBRLTAML-MWLCHTKSSA-N -1 1 316.365 0.230 20 0 DCADMM CC[C@H](C)NC(=O)[C@@H](C)N(C)CCNC(=O)c1ncccc1[O-] ZINC001480856924 939024860 /nfs/dbraw/zinc/02/48/60/939024860.db2.gz MLARWJZNIGHNEW-NWDGAFQWSA-N -1 1 322.409 0.752 20 0 DCADMM O=C(C[C@H]1C=CCC1)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001266395802 939104669 /nfs/dbraw/zinc/10/46/69/939104669.db2.gz VNEUNXNNHVEOGI-CMPLNLGQSA-N -1 1 305.382 0.851 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H](CNC(=O)/C=C\C(C)(C)C)C2)nc1=O ZINC001266505266 939140220 /nfs/dbraw/zinc/14/02/20/939140220.db2.gz GKVDFULVNJCYED-HWPRWLFBSA-N -1 1 321.425 0.649 20 0 DCADMM CCOCCCC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001278347743 945235326 /nfs/dbraw/zinc/23/53/26/945235326.db2.gz SRKBOESPZJITAH-GHMZBOCLSA-N -1 1 311.386 0.406 20 0 DCADMM C[C@H]1CC[C@H](CCC(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)O1 ZINC001267106106 939345092 /nfs/dbraw/zinc/34/50/92/939345092.db2.gz QYGAMKBMLKLBMP-WDEREUQCSA-N -1 1 311.386 0.406 20 0 DCADMM COc1cc(-c2cnc(OC)c([N-]S(C)(=O)=O)c2)ncn1 ZINC001244790779 945266861 /nfs/dbraw/zinc/26/68/61/945266861.db2.gz TVFVGBZBXAKVAI-UHFFFAOYSA-N -1 1 310.335 0.927 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)CCc1ccccc1 ZINC001481307074 939736301 /nfs/dbraw/zinc/73/63/01/939736301.db2.gz MTGJNIREKWBJHT-UHFFFAOYSA-N -1 1 303.366 0.691 20 0 DCADMM COc1ncc(-c2cncc(C(N)=O)n2)cc1[N-]S(C)(=O)=O ZINC001244789288 945268493 /nfs/dbraw/zinc/26/84/93/945268493.db2.gz HGSAFXYRCXEYKY-UHFFFAOYSA-N -1 1 323.334 0.018 20 0 DCADMM CC(C)N(CCCNC(=O)c1ccn(C)n1)Cc1n[nH]c(=O)[n-]1 ZINC001481358504 939759461 /nfs/dbraw/zinc/75/94/61/939759461.db2.gz UFZXILHZLQYOAL-UHFFFAOYSA-N -1 1 321.385 0.274 20 0 DCADMM O=C(NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1=COCCC1 ZINC001481422609 939782541 /nfs/dbraw/zinc/78/25/41/939782541.db2.gz GAXYEIRYKHTHOM-NSHDSACASA-N -1 1 321.381 0.533 20 0 DCADMM O=C(NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cocn1 ZINC001481424419 939783480 /nfs/dbraw/zinc/78/34/80/939783480.db2.gz PELOEZBBUZVJEU-VIFPVBQESA-N -1 1 306.326 0.140 20 0 DCADMM C[C@H](C(=O)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001481425439 939784133 /nfs/dbraw/zinc/78/41/33/939784133.db2.gz UIKNDUFBEIXGGT-QWRGUYRKSA-N -1 1 307.398 0.885 20 0 DCADMM Cc1cccc2nc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)cn21 ZINC001318133959 945271512 /nfs/dbraw/zinc/27/15/12/945271512.db2.gz ZOWYFWMNXCZXAP-UHFFFAOYSA-N -1 1 320.334 0.417 20 0 DCADMM Cc1cccc2nc(C(=O)Nc3nnc(S(C)(=O)=O)[n-]3)cn21 ZINC001318133959 945271521 /nfs/dbraw/zinc/27/15/21/945271521.db2.gz ZOWYFWMNXCZXAP-UHFFFAOYSA-N -1 1 320.334 0.417 20 0 DCADMM COc1cc(S(=O)(=O)[N-][C@@H](C)CN2CCCC2=O)sn1 ZINC001414208789 940287175 /nfs/dbraw/zinc/28/71/75/940287175.db2.gz ICUWNJPYGULUCW-QMMMGPOBSA-N -1 1 319.408 0.441 20 0 DCADMM C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C[C@H]1C=CCCC1 ZINC001268737924 940346383 /nfs/dbraw/zinc/34/63/83/940346383.db2.gz YGFHOXNHSVYCKI-STQMWFEESA-N -1 1 321.425 0.791 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)/C=C\c2ccco2)nc1=O ZINC001269195914 940647484 /nfs/dbraw/zinc/64/74/84/940647484.db2.gz PXXYLAQCDBNBKV-WYGGZMRJSA-N -1 1 317.349 0.105 20 0 DCADMM CC(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)Cc1nn[n-]n1 ZINC001269577859 940733659 /nfs/dbraw/zinc/73/36/59/940733659.db2.gz PECSWWFBRANEHA-HNNXBMFYSA-N -1 1 320.397 0.382 20 0 DCADMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C1(C)CC(F)(F)C1 ZINC001364043344 941018731 /nfs/dbraw/zinc/01/87/31/941018731.db2.gz WYBMWDFCYXKHEV-UHFFFAOYSA-N -1 1 323.321 0.971 20 0 DCADMM CC(C)C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C1=COCCC1 ZINC001482381499 941032005 /nfs/dbraw/zinc/03/20/05/941032005.db2.gz WYCGGKFYJHIUHT-LBPRGKRZSA-N -1 1 323.397 0.825 20 0 DCADMM O=S(=O)(Cc1ccno1)[N-][C@H]1CCCCC12OCCO2 ZINC001414231542 941580899 /nfs/dbraw/zinc/58/08/99/941580899.db2.gz VCSRTRXYEWPVCE-NSHDSACASA-N -1 1 302.352 0.780 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NCC[C@H]2CC2(F)F)[n-]n1 ZINC001424414079 941797996 /nfs/dbraw/zinc/79/79/96/941797996.db2.gz ZZYPZSXIZYWHAG-LURJTMIESA-N -1 1 309.294 0.520 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NCC[C@H]2CC2(F)F)n[n-]1 ZINC001424414079 941797998 /nfs/dbraw/zinc/79/79/98/941797998.db2.gz ZZYPZSXIZYWHAG-LURJTMIESA-N -1 1 309.294 0.520 20 0 DCADMM CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)co1 ZINC001424844979 941859285 /nfs/dbraw/zinc/85/92/85/941859285.db2.gz KPDLIEWOBKHNOG-QMMMGPOBSA-N -1 1 318.351 0.259 20 0 DCADMM C[C@H](CNC(=O)[C@H](C)n1cccc1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001409532664 942039355 /nfs/dbraw/zinc/03/93/55/942039355.db2.gz DAGXHZPEFSKPGM-NEPJUHHUSA-N -1 1 320.397 0.108 20 0 DCADMM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)CCc2nn[n-]n2)C1 ZINC001412877815 942121307 /nfs/dbraw/zinc/12/13/07/942121307.db2.gz BQZJHAOYNNQVSY-CQSZACIVSA-N -1 1 309.370 0.570 20 0 DCADMM CCC(CC)(NC(=O)c1cnc(C2CC2)nc1N)c1nn[n-]n1 ZINC001412936661 942147940 /nfs/dbraw/zinc/14/79/40/942147940.db2.gz QDGJZJPOKLIZED-UHFFFAOYSA-N -1 1 316.369 0.895 20 0 DCADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC1CC(=O)C1 ZINC001413001443 942188856 /nfs/dbraw/zinc/18/88/56/942188856.db2.gz KKRYLBIIYVTMNW-UHFFFAOYSA-N -1 1 312.329 0.531 20 0 DCADMM Cc1cc(C)c(C(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)c(C)n1 ZINC001483250679 942204040 /nfs/dbraw/zinc/20/40/40/942204040.db2.gz RRLAXOAVZGNDFY-JTQLQIEISA-N -1 1 318.381 0.739 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCc1nnc(C)s1 ZINC001413045745 942232814 /nfs/dbraw/zinc/23/28/14/942232814.db2.gz BZKUJYKYKZYAJQ-UHFFFAOYSA-N -1 1 311.323 0.029 20 0 DCADMM COCC(=O)N[C@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2 ZINC001413109988 942510276 /nfs/dbraw/zinc/51/02/76/942510276.db2.gz PECAATCXRLGTPF-WBMJQRKESA-N -1 1 319.361 0.687 20 0 DCADMM COCC(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001413159483 942537152 /nfs/dbraw/zinc/53/71/52/942537152.db2.gz GDTKZZZIXCTLFB-QWRGUYRKSA-N -1 1 307.350 0.448 20 0 DCADMM Cn1[n-]c(CN2CCCCC[C@H]2CNC(=O)C(F)F)nc1=O ZINC001409840448 942581880 /nfs/dbraw/zinc/58/18/80/942581880.db2.gz OLTLTYKHFTYSOL-VIFPVBQESA-N -1 1 317.340 0.234 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)c2cccc(CO)c2)n[n-]1 ZINC001413271215 942596928 /nfs/dbraw/zinc/59/69/28/942596928.db2.gz LERRMZWOBVORDP-VIFPVBQESA-N -1 1 318.333 0.965 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)c2cccc(CO)c2)[n-]1 ZINC001413271215 942596932 /nfs/dbraw/zinc/59/69/32/942596932.db2.gz LERRMZWOBVORDP-VIFPVBQESA-N -1 1 318.333 0.965 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)c2cccc(CO)c2)n1 ZINC001413271215 942596934 /nfs/dbraw/zinc/59/69/34/942596934.db2.gz LERRMZWOBVORDP-VIFPVBQESA-N -1 1 318.333 0.965 20 0 DCADMM O=S(=O)([N-]Cc1ncc[nH]1)c1nc[nH]c1Br ZINC001413305212 942616704 /nfs/dbraw/zinc/61/67/04/942616704.db2.gz GVSXZZOKCYARBS-UHFFFAOYSA-N -1 1 306.145 0.374 20 0 DCADMM COC[C@H]([N-]S(=O)(=O)CC1CC(F)(F)C1)C(=O)OC ZINC001413319756 942629386 /nfs/dbraw/zinc/62/93/86/942629386.db2.gz ILWBEAAPIKRRRV-QMMMGPOBSA-N -1 1 301.311 0.139 20 0 DCADMM CN(C(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC001413328557 942895790 /nfs/dbraw/zinc/89/57/90/942895790.db2.gz SMOGLRLALCMFKN-UHFFFAOYSA-N -1 1 310.358 0.808 20 0 DCADMM CC[C@H](C)n1nccc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001413386840 942941967 /nfs/dbraw/zinc/94/19/67/942941967.db2.gz LXJXTVJMXBFHBV-GXSJLCMTSA-N -1 1 305.342 0.581 20 0 DCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1C[C@@H](COC)C1 ZINC001413430410 942972700 /nfs/dbraw/zinc/97/27/00/942972700.db2.gz PJJSZHYWUXEPEC-DTORHVGOSA-N -1 1 317.367 0.290 20 0 DCADMM CCc1c[nH]c(CC(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)n1 ZINC001413561500 943075652 /nfs/dbraw/zinc/07/56/52/943075652.db2.gz PNBZSKGSWXIERI-SNVBAGLBSA-N -1 1 303.370 0.509 20 0 DCADMM Cc1cc(CCC(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)no1 ZINC001413565621 943081684 /nfs/dbraw/zinc/08/16/84/943081684.db2.gz WBIIVQBUFYINGZ-LLVKDONJSA-N -1 1 304.354 0.910 20 0 DCADMM O=C(C[C@H]1CCCO1)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001484509168 943434887 /nfs/dbraw/zinc/43/48/87/943434887.db2.gz SHEHEZIAJFGUKU-VXGBXAGGSA-N -1 1 323.397 0.408 20 0 DCADMM O=C([C@H]1CC12CC2)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001484539067 943446610 /nfs/dbraw/zinc/44/66/10/943446610.db2.gz IWNSIJMVWRHJIF-GHMZBOCLSA-N -1 1 305.382 0.639 20 0 DCADMM Cn1ncc(Cl)c1C(=O)NCCNC(=O)c1ncccc1[O-] 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CC(C)CC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574111460 949380519 /nfs/dbraw/zinc/38/05/19/949380519.db2.gz HSAPCFYIXZAJRR-JTQLQIEISA-N -1 1 318.385 0.644 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCC12CCOCC2 ZINC001364497332 949431680 /nfs/dbraw/zinc/43/16/80/949431680.db2.gz RPJYBICYYYCLRS-VIFPVBQESA-N -1 1 323.349 0.833 20 0 DCADMM CCC[C@H](OC)C(=O)Nc1n[n-]c(OCCO)c1C(=O)OC ZINC001364510936 949454955 /nfs/dbraw/zinc/45/49/55/949454955.db2.gz SFDKZMQYYGBQAD-QMMMGPOBSA-N -1 1 315.326 0.321 20 0 DCADMM CCC[C@H](OC)C(=O)Nc1[n-]nc(OCCO)c1C(=O)OC ZINC001364510936 949454967 /nfs/dbraw/zinc/45/49/67/949454967.db2.gz SFDKZMQYYGBQAD-QMMMGPOBSA-N -1 1 315.326 0.321 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)c2ccn(C(F)F)n2)n[n-]1 ZINC001364509458 949455463 /nfs/dbraw/zinc/45/54/63/949455463.db2.gz VCEFTSWIGYWLSZ-UHFFFAOYSA-N -1 1 314.252 0.503 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccn(C(F)F)n2)n1 ZINC001364509458 949455473 /nfs/dbraw/zinc/45/54/73/949455473.db2.gz 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CC(C)OC(=O)c1cc(NC(=O)COCc2nncn2C)n[nH]1 ZINC001412704949 953007231 /nfs/dbraw/zinc/00/72/31/953007231.db2.gz KTGHMKDFCUOBSQ-UHFFFAOYSA-N -1 1 322.325 0.259 20 0 DCADMM Cc1cccc2c1CCN(c1nnc(Cc3nnn[n-]3)n1C)C2 ZINC001338909403 953061009 /nfs/dbraw/zinc/06/10/09/953061009.db2.gz OYFQWDQSQIAVKY-UHFFFAOYSA-N -1 1 310.365 0.790 20 0 DCADMM Cc1cccc2c1CCN(c1nnc(Cc3nn[n-]n3)n1C)C2 ZINC001338909403 953061013 /nfs/dbraw/zinc/06/10/13/953061013.db2.gz OYFQWDQSQIAVKY-UHFFFAOYSA-N -1 1 310.365 0.790 20 0 DCADMM Cn1cc([C@]2(CNC(=O)c3ccc([O-])cn3)CCCO2)cn1 ZINC001412763905 953079721 /nfs/dbraw/zinc/07/97/21/953079721.db2.gz ZVKNDEUTKZDQKS-OAHLLOKOSA-N -1 1 302.334 0.956 20 0 DCADMM C[C@](Cn1cccn1)(NC(=O)c1ccc(F)c([O-])c1)C(N)=O ZINC001412775902 953088171 /nfs/dbraw/zinc/08/81/71/953088171.db2.gz JPJCALFUPXOBMQ-CQSZACIVSA-N -1 1 306.297 0.402 20 0 DCADMM CO[C@H](C)C(=O)NCC1=CCN(C(=O)c2ncccc2[O-])CC1 ZINC001339398158 953091341 /nfs/dbraw/zinc/09/13/41/953091341.db2.gz ORXGKBTVOBUWHL-LLVKDONJSA-N -1 1 319.361 0.711 20 0 DCADMM CN(Cc1cnn(C)c1)c1nnc(-c2nc(Cl)n[n-]2)n1C ZINC001339425668 953093857 /nfs/dbraw/zinc/09/38/57/953093857.db2.gz HBWWQQKNHOMOLS-UHFFFAOYSA-N -1 1 307.749 0.624 20 0 DCADMM CC(=O)Nc1cccnc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC001412793150 953096461 /nfs/dbraw/zinc/09/64/61/953096461.db2.gz HMBAVRZEVDLFBE-MRVPVSSYSA-N -1 1 303.326 0.429 20 0 DCADMM O=S(=O)(Cc1nnc(-c2cccc(F)c2)o1)c1ncn[n-]1 ZINC001340157692 953150091 /nfs/dbraw/zinc/15/00/91/953150091.db2.gz WHIHHNJBOBJBCO-UHFFFAOYSA-N -1 1 309.282 0.968 20 0 DCADMM O=S(=O)(Cc1nnc(-c2cccc(F)c2)o1)c1nc[n-]n1 ZINC001340157692 953150094 /nfs/dbraw/zinc/15/00/94/953150094.db2.gz WHIHHNJBOBJBCO-UHFFFAOYSA-N -1 1 309.282 0.968 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)c2cccc(CC)n2)n[n-]1 ZINC001412837657 953160200 /nfs/dbraw/zinc/16/02/00/953160200.db2.gz JEXCLTHJSHOFPE-UHFFFAOYSA-N -1 1 303.322 0.869 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccc(CC)n2)n1 ZINC001412837657 953160201 /nfs/dbraw/zinc/16/02/01/953160201.db2.gz JEXCLTHJSHOFPE-UHFFFAOYSA-N -1 1 303.322 0.869 20 0 DCADMM O=C([O-])[C@]1(C(=O)N2CCc3cccc(F)c3C2)CNCCO1 ZINC001340522228 953174807 /nfs/dbraw/zinc/17/48/07/953174807.db2.gz YQOQSFMNBMTQOU-OAHLLOKOSA-N -1 1 308.309 0.154 20 0 DCADMM C[C@H](CNC(=O)[C@]1(C(=O)[O-])CNCCO1)c1ccc(F)cc1 ZINC001340634048 953184554 /nfs/dbraw/zinc/18/45/54/953184554.db2.gz JWGKRICXYWLZRN-BMIGLBTASA-N -1 1 310.325 0.489 20 0 DCADMM O=C([O-])[C@@]1(C(=O)N2CCC(C3CCCC3)CC2)CNCCO1 ZINC001340747695 953192081 /nfs/dbraw/zinc/19/20/81/953192081.db2.gz NEAPIPACZJAHIF-INIZCTEOSA-N -1 1 310.394 0.858 20 0 DCADMM O=C([O-])[C@@]1(C(=O)N[C@@H]2CCc3ccc(Cl)cc32)CNCCO1 ZINC001340868173 953200131 /nfs/dbraw/zinc/20/01/31/953200131.db2.gz UILIVOGBFKVREO-DOMZBBRYSA-N -1 1 324.764 0.887 20 0 DCADMM CCC[C@H](Cc1ccccc1)NC(=O)[C@@]1(C(=O)[O-])CNCCO1 ZINC001341421307 953229570 /nfs/dbraw/zinc/22/95/70/953229570.db2.gz ADNQGLZXDRGCGT-RHSMWYFYSA-N -1 1 320.389 0.957 20 0 DCADMM O=C([O-])[C@@]1(C(=O)N2CC3(CC3)c3ccccc32)CNCCO1 ZINC001341567622 953238008 /nfs/dbraw/zinc/23/80/08/953238008.db2.gz OUKUQLGAGXIDPN-INIZCTEOSA-N -1 1 302.330 0.508 20 0 DCADMM CC[C@H]1c2ccccc2CN1C(=O)[C@@]1(C(=O)[O-])CNCCO1 ZINC001342993374 953316506 /nfs/dbraw/zinc/31/65/06/953316506.db2.gz IZGWMLSQWRILEX-XJKSGUPXSA-N -1 1 304.346 0.923 20 0 DCADMM O=C([O-])[C@@]1(C(=O)N2CCC[C@@H](C3CCCC3)C2)CNCCO1 ZINC001343748515 953372307 /nfs/dbraw/zinc/37/23/07/953372307.db2.gz NEMBCJYWGLBCLP-CJNGLKHVSA-N -1 1 310.394 0.858 20 0 DCADMM O=C([O-])[C@]1(C(=O)N2CC[C@@H](Oc3ccccc3)C2)CNCCO1 ZINC001344057201 953410481 /nfs/dbraw/zinc/41/04/81/953410481.db2.gz DJQTWZALDMOUIA-CZUORRHYSA-N -1 1 320.345 0.110 20 0 DCADMM CC/C(C)=C\C(=O)N1CCC[C@H]1CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001281932141 953420417 /nfs/dbraw/zinc/42/04/17/953420417.db2.gz IXJZUUSZBAFWDE-SUIFULHWSA-N -1 1 321.425 0.888 20 0 DCADMM Cc1noc(C)c1C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001366018125 953584415 /nfs/dbraw/zinc/58/44/15/953584415.db2.gz GFRDKMFSRMSVLW-JTQLQIEISA-N -1 1 320.353 0.413 20 0 DCADMM Cc1ccc(CC(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C2CC2)o1 ZINC001366037333 953612443 /nfs/dbraw/zinc/61/24/43/953612443.db2.gz UJCKSFXPJOJIGP-GFCCVEGCSA-N -1 1 319.365 0.639 20 0 DCADMM CC(C)[C@H](C)C(=O)NC[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001366181214 953782770 /nfs/dbraw/zinc/78/27/70/953782770.db2.gz QDGMAVSRALCZIS-QWHCGFSZSA-N -1 1 323.441 0.729 20 0 DCADMM CC(C)Oc1ccc(NC(=O)[C@@]2(C(=O)[O-])CNCCO2)cc1 ZINC001346068352 953795122 /nfs/dbraw/zinc/79/51/22/953795122.db2.gz MKWVJEHBVZHOHE-OAHLLOKOSA-N -1 1 308.334 0.856 20 0 DCADMM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2 ZINC001589324502 953890893 /nfs/dbraw/zinc/89/08/93/953890893.db2.gz WROSXWFFQCUCMF-AOOOYVTPSA-N -1 1 322.365 0.923 20 0 DCADMM CCn1nncc1CN1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001593674687 953908085 /nfs/dbraw/zinc/90/80/85/953908085.db2.gz WZJDBLBWZPJTQK-NWDGAFQWSA-N -1 1 318.381 0.722 20 0 DCADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)N[C@@H]1COC[C@@H]1O ZINC001366264002 953919878 /nfs/dbraw/zinc/91/98/78/953919878.db2.gz NUCDFGJVJCOVEH-NEPJUHHUSA-N -1 1 304.306 0.459 20 0 DCADMM C[C@@H](CNC(=O)C[C@@H]1CCC(F)(F)C1)NCc1n[nH]c(=O)[n-]1 ZINC001366280916 953950560 /nfs/dbraw/zinc/95/05/60/953950560.db2.gz BJUFRSUUELEVPP-IUCAKERBSA-N -1 1 317.340 0.930 20 0 DCADMM O=C([O-])[C@H](C(=O)NCc1nnc([C@@H]2CCOC2)[nH]1)C1CCCC1 ZINC001594835965 954025356 /nfs/dbraw/zinc/02/53/56/954025356.db2.gz NORDPTPXJNANOR-PWSUYJOCSA-N -1 1 322.365 0.816 20 0 DCADMM O=C([O-])[C@H](C(=O)NCc1n[nH]c([C@@H]2CCOC2)n1)C1CCCC1 ZINC001594835965 954025363 /nfs/dbraw/zinc/02/53/63/954025363.db2.gz NORDPTPXJNANOR-PWSUYJOCSA-N -1 1 322.365 0.816 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H](C)Cc1cnn(C)c1 ZINC001347149930 954032556 /nfs/dbraw/zinc/03/25/56/954032556.db2.gz VUUZYVVJQDVFNI-SSDOTTSWSA-N -1 1 307.379 0.874 20 0 DCADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001366342634 954058256 /nfs/dbraw/zinc/05/82/56/954058256.db2.gz UJTPFGCSEFYUKY-MRVPVSSYSA-N -1 1 324.410 0.998 20 0 DCADMM CC(C)c1ncsc1C(=O)NC[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001366342636 954059032 /nfs/dbraw/zinc/05/90/32/954059032.db2.gz UJTPFGCSEFYUKY-QMMMGPOBSA-N -1 1 324.410 0.998 20 0 DCADMM C[C@@H]1CCN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC001589347639 954061158 /nfs/dbraw/zinc/06/11/58/954061158.db2.gz FRHJPWFYVSLBRC-BXKDBHETSA-N -1 1 317.349 0.993 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCO[C@@H](CCF)C1 ZINC001347862179 954173517 /nfs/dbraw/zinc/17/35/17/954173517.db2.gz YBGODHMAIJSPKD-QMMMGPOBSA-N -1 1 301.343 0.980 20 0 DCADMM CN(C)c1cccc(CNCCS(=O)(=O)CC(=O)[O-])c1 ZINC001593714892 954203790 /nfs/dbraw/zinc/20/37/90/954203790.db2.gz VOGOGTVQCCEDLM-UHFFFAOYSA-N -1 1 300.380 0.342 20 0 DCADMM O=C([O-])C1(C(=O)NC[C@H]2CN3CCN2CCC3)CCCCC1 ZINC001594858629 954255812 /nfs/dbraw/zinc/25/58/12/954255812.db2.gz AFXWSMBKQVPIOS-ZDUSSCGKSA-N -1 1 309.410 0.528 20 0 DCADMM COCCC(=O)NCCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001348293500 954255896 /nfs/dbraw/zinc/25/58/96/954255896.db2.gz OFNUXMSOADIMHW-UHFFFAOYSA-N -1 1 324.381 0.497 20 0 DCADMM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC001589394967 954357976 /nfs/dbraw/zinc/35/79/76/954357976.db2.gz DTIZLWZUQGECRZ-NSHDSACASA-N -1 1 321.377 0.697 20 0 DCADMM CN(CCNC(=O)[C@H]1CC(C(=O)[O-])=NO1)Cc1ccc(F)cc1 ZINC001593750614 954403278 /nfs/dbraw/zinc/40/32/78/954403278.db2.gz DCBSYYKZSBQVIV-CYBMUJFWSA-N -1 1 323.324 0.603 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)NC1([C@H]2CCCO2)CCC1 ZINC001348794941 954469419 /nfs/dbraw/zinc/46/94/19/954469419.db2.gz QPQXAHJFFCCBRC-LLVKDONJSA-N -1 1 307.350 0.145 20 0 DCADMM CN(Cc1cn([C@H]2CCN(CC(=O)[O-])C2=O)nn1)C(C)(C)C ZINC001593764368 954501780 /nfs/dbraw/zinc/50/17/80/954501780.db2.gz HLNUNIUTZRHBKJ-NSHDSACASA-N -1 1 309.370 0.366 20 0 DCADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(CCOC(F)F)CC2)C1 ZINC001594898323 954591681 /nfs/dbraw/zinc/59/16/81/954591681.db2.gz JJHYXKRGIAVMEO-SECBINFHSA-N -1 1 306.309 0.623 20 0 DCADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3ccncc3)CC2)C1 ZINC001594898365 954591933 /nfs/dbraw/zinc/59/19/33/954591933.db2.gz KPYPISIOKJVRCK-CYBMUJFWSA-N -1 1 303.362 0.979 20 0 DCADMM CN1CC[C@H]1CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001593777689 954609780 /nfs/dbraw/zinc/60/97/80/954609780.db2.gz FRUDJBMXWKHNRL-GXTWGEPZSA-N -1 1 316.361 0.526 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)CCc1cnccn1 ZINC001349392682 954736055 /nfs/dbraw/zinc/73/60/55/954736055.db2.gz VMHMPFZBXHWFBA-UHFFFAOYSA-N -1 1 305.363 0.884 20 0 DCADMM Cn1[n-]c(CN(CCNC(=O)c2ccccc2)C2CC2)nc1=O ZINC001366737174 954742808 /nfs/dbraw/zinc/74/28/08/954742808.db2.gz WPXQQNXKJMYQJO-UHFFFAOYSA-N -1 1 315.377 0.503 20 0 DCADMM O=C(NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cccnc1 ZINC001366824775 954893971 /nfs/dbraw/zinc/89/39/71/954893971.db2.gz KKEPSMFPGKJSMX-NSHDSACASA-N -1 1 316.365 0.547 20 0 DCADMM O=C([O-])[C@H]1CN(C(=O)[C@H](O)c2c[nH]cn2)Cc2ccccc21 ZINC001594941352 954896479 /nfs/dbraw/zinc/89/64/79/954896479.db2.gz IKMBOJJOARMPLS-WCQYABFASA-N -1 1 301.302 0.654 20 0 DCADMM 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960732969 /nfs/dbraw/zinc/73/29/69/960732969.db2.gz VHXBCODBWJSZFX-GHMZBOCLSA-N -1 1 318.381 0.819 20 0 DCADMM C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)CCc1nn[n-]n1 ZINC001363271136 960752254 /nfs/dbraw/zinc/75/22/54/960752254.db2.gz RWZKBAWNUHOKNY-AWEZNQCLSA-N -1 1 323.784 0.896 20 0 DCADMM Cc1nc(C(=O)N(Cc2nn[n-]n2)CC(C)C)c(=O)[nH]c1C ZINC001363276831 960758643 /nfs/dbraw/zinc/75/86/43/960758643.db2.gz QBKMEWHDZJMDGQ-UHFFFAOYSA-N -1 1 305.342 0.198 20 0 DCADMM C[C@H](OCc1ccncc1)C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001363277121 960759062 /nfs/dbraw/zinc/75/90/62/960759062.db2.gz LAKBKYMZUXYLQJ-JTQLQIEISA-N -1 1 302.338 0.695 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC001363297295 960828571 /nfs/dbraw/zinc/82/85/71/960828571.db2.gz GRKIPKICBGYFSD-BBBLOLIVSA-N -1 1 323.349 0.662 20 0 DCADMM CN(C(=O)c1n[nH]c(C2CC2)c1Br)c1nn[n-]n1 ZINC001363328776 960907648 /nfs/dbraw/zinc/90/76/48/960907648.db2.gz RWWVFXMBNXCXGD-UHFFFAOYSA-N -1 1 312.131 0.839 20 0 DCADMM 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LEXGSPABDBFKRH-LBPRGKRZSA-N -1 1 319.361 0.733 20 0 DCADMM COC[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1 ZINC000821684516 599584673 /nfs/dbraw/zinc/58/46/73/599584673.db2.gz BSXFJNPZQBBRTR-MRVPVSSYSA-N -1 1 310.745 0.767 20 0 DCADMM COC[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1 ZINC000821684516 599584676 /nfs/dbraw/zinc/58/46/76/599584676.db2.gz BSXFJNPZQBBRTR-MRVPVSSYSA-N -1 1 310.745 0.767 20 0 DCADMM COC(=O)C(C)(C)[C@H]1CCCN(CC(=O)NCC(=O)[O-])C1 ZINC000820646121 597807033 /nfs/dbraw/zinc/80/70/33/597807033.db2.gz WSWDERXNIJHCKC-JTQLQIEISA-N -1 1 300.355 0.098 20 0 DCADMM C[C@H](NCC(=O)NCC(=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000820141556 597808879 /nfs/dbraw/zinc/80/88/79/597808879.db2.gz DPYXSPJWPNEBSE-JTQLQIEISA-N -1 1 321.333 0.495 20 0 DCADMM CC(C)[C@@H](NCC(=O)NC(=O)NCc1cccs1)C(=O)[O-] ZINC000820041629 598188440 /nfs/dbraw/zinc/18/84/40/598188440.db2.gz LZJZPSXKLAFIKI-LLVKDONJSA-N -1 1 313.379 0.773 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)CO1 ZINC000736290619 598263487 /nfs/dbraw/zinc/26/34/87/598263487.db2.gz RWBNKEZAHTVQME-IUCAKERBSA-N -1 1 324.366 0.060 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)CO1 ZINC000736290619 598263489 /nfs/dbraw/zinc/26/34/89/598263489.db2.gz RWBNKEZAHTVQME-IUCAKERBSA-N -1 1 324.366 0.060 20 0 DCADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000736371835 598268780 /nfs/dbraw/zinc/26/87/80/598268780.db2.gz YCELPNGOWNUQCC-JTQLQIEISA-N -1 1 310.383 0.975 20 0 DCADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000736371835 598268781 /nfs/dbraw/zinc/26/87/81/598268781.db2.gz YCELPNGOWNUQCC-JTQLQIEISA-N -1 1 310.383 0.975 20 0 DCADMM c1ccc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC000738434295 598337187 /nfs/dbraw/zinc/33/71/87/598337187.db2.gz CKSDITIQQOXRHH-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM c1ccc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)nc1 ZINC000738434295 598337189 /nfs/dbraw/zinc/33/71/89/598337189.db2.gz CKSDITIQQOXRHH-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM 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ZINC000820292766 606561480 /nfs/dbraw/zinc/56/14/80/606561480.db2.gz GOYBVGBJUYDANT-LURJTMIESA-N -1 1 315.380 0.091 20 0 DCADMM C[C@@H](CS(C)(=O)=O)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820292766 606561481 /nfs/dbraw/zinc/56/14/81/606561481.db2.gz GOYBVGBJUYDANT-LURJTMIESA-N -1 1 315.380 0.091 20 0 DCADMM CC(C)Nc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cn1 ZINC000820136738 606583150 /nfs/dbraw/zinc/58/31/50/606583150.db2.gz BFRSKBMXWXHEMM-UHFFFAOYSA-N -1 1 313.325 0.549 20 0 DCADMM CCNC(=O)C1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821286238 606592154 /nfs/dbraw/zinc/59/21/54/606592154.db2.gz OXAGJONGEVJIPH-UHFFFAOYSA-N -1 1 307.745 0.487 20 0 DCADMM CCNC(=O)C1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821286238 606592156 /nfs/dbraw/zinc/59/21/56/606592156.db2.gz OXAGJONGEVJIPH-UHFFFAOYSA-N -1 1 307.745 0.487 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccn1 ZINC000820380689 606596560 /nfs/dbraw/zinc/59/65/60/606596560.db2.gz YSVNBLUDOQSJGJ-QMMMGPOBSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccn1 ZINC000820380689 606596561 /nfs/dbraw/zinc/59/65/61/606596561.db2.gz YSVNBLUDOQSJGJ-QMMMGPOBSA-N -1 1 313.325 0.878 20 0 DCADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000820743094 606596623 /nfs/dbraw/zinc/59/66/23/606596623.db2.gz QESCPWZKMYSHOV-YUMQZZPRSA-N -1 1 306.330 0.241 20 0 DCADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000820743094 606596625 /nfs/dbraw/zinc/59/66/25/606596625.db2.gz QESCPWZKMYSHOV-YUMQZZPRSA-N -1 1 306.330 0.241 20 0 DCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc2nncn2c1 ZINC000823436045 606653803 /nfs/dbraw/zinc/65/38/03/606653803.db2.gz FRHCKPMOAGHEGL-UHFFFAOYSA-N -1 1 322.288 0.661 20 0 DCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc2nncn2c1 ZINC000823436045 606653804 /nfs/dbraw/zinc/65/38/04/606653804.db2.gz FRHCKPMOAGHEGL-UHFFFAOYSA-N -1 1 322.288 0.661 20 0 DCADMM CC[C@@H](C)CSc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820870116 606799117 /nfs/dbraw/zinc/79/91/17/606799117.db2.gz NBDWHXKMIMQUFA-SSDOTTSWSA-N -1 1 310.383 0.402 20 0 DCADMM c1cc(-c2nnn[n-]2)nc(N2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000823742804 606802535 /nfs/dbraw/zinc/80/25/35/606802535.db2.gz LLMPEJDYEJOJLP-VXGBXAGGSA-N -1 1 302.338 0.646 20 0 DCADMM c1cc(-c2nn[n-]n2)nc(N2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000823742804 606802538 /nfs/dbraw/zinc/80/25/38/606802538.db2.gz LLMPEJDYEJOJLP-VXGBXAGGSA-N -1 1 302.338 0.646 20 0 DCADMM O=C(NCCCO[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823191368 606813171 /nfs/dbraw/zinc/81/31/71/606813171.db2.gz KOSQWHBEMNWXOA-LLVKDONJSA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCCO[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823191368 606813173 /nfs/dbraw/zinc/81/31/73/606813173.db2.gz KOSQWHBEMNWXOA-LLVKDONJSA-N -1 1 318.337 0.187 20 0 DCADMM C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)s1)[S@@](C)=O ZINC000820241098 607098520 /nfs/dbraw/zinc/09/85/20/607098520.db2.gz DKTRDQJIIJKVAS-SVWIBVJCSA-N -1 1 313.408 0.815 20 0 DCADMM C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)s1)[S@@](C)=O ZINC000820241098 607098521 /nfs/dbraw/zinc/09/85/21/607098521.db2.gz DKTRDQJIIJKVAS-SVWIBVJCSA-N -1 1 313.408 0.815 20 0 DCADMM CC(C)(C)CC(=O)NCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000819907495 607103931 /nfs/dbraw/zinc/10/39/31/607103931.db2.gz PFKQXZPGFDNXOM-UHFFFAOYSA-N -1 1 323.382 0.814 20 0 DCADMM CC(C)(C)CC(=O)NCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000819907495 607103932 /nfs/dbraw/zinc/10/39/32/607103932.db2.gz PFKQXZPGFDNXOM-UHFFFAOYSA-N -1 1 323.382 0.814 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@@H](c2ccco2)C1 ZINC000823122806 607216242 /nfs/dbraw/zinc/21/62/42/607216242.db2.gz INIWAFDRJQDCNE-SECBINFHSA-N -1 1 314.309 0.067 20 0 DCADMM C[C@@H]1CCCC[C@H]1CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820698028 607217675 /nfs/dbraw/zinc/21/76/75/607217675.db2.gz PDEWIWMYDCTDIR-MNOVXSKESA-N -1 1 318.385 0.791 20 0 DCADMM CC1(C)OC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)O1 ZINC000820607390 607218099 /nfs/dbraw/zinc/21/80/99/607218099.db2.gz SMDSMJQYKWYNAS-ZETCQYMHSA-N -1 1 309.351 0.810 20 0 DCADMM CC1(C)OC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)O1 ZINC000820607390 607218100 /nfs/dbraw/zinc/21/81/00/607218100.db2.gz SMDSMJQYKWYNAS-ZETCQYMHSA-N -1 1 309.351 0.810 20 0 DCADMM CC[C@@H]1CCCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820979209 607218834 /nfs/dbraw/zinc/21/88/34/607218834.db2.gz GMDZKMNWXJJJDM-SNVBAGLBSA-N -1 1 304.358 0.639 20 0 DCADMM CC(C)c1cnc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000820198150 607219318 /nfs/dbraw/zinc/21/93/18/607219318.db2.gz QYQCCKOKXOETPB-UHFFFAOYSA-N -1 1 319.354 0.677 20 0 DCADMM CC1(C)CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820596809 607219357 /nfs/dbraw/zinc/21/93/57/607219357.db2.gz RMZQQCXJPPMXIM-UHFFFAOYSA-N -1 1 304.358 0.497 20 0 DCADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820650647 607221107 /nfs/dbraw/zinc/22/11/07/607221107.db2.gz XADCVGHCSVXLSI-VHSXEESVSA-N -1 1 318.385 0.789 20 0 DCADMM CCc1ccc(O)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821486758 607234420 /nfs/dbraw/zinc/23/44/20/607234420.db2.gz KVZLHGHAPXUREF-UHFFFAOYSA-N -1 1 314.309 0.365 20 0 DCADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)[C@H]1CCOC1 ZINC000826493262 607867955 /nfs/dbraw/zinc/86/79/55/607867955.db2.gz BNWARZDITKBBQG-ZETCQYMHSA-N -1 1 314.298 0.503 20 0 DCADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000826493262 607867956 /nfs/dbraw/zinc/86/79/56/607867956.db2.gz BNWARZDITKBBQG-ZETCQYMHSA-N -1 1 314.298 0.503 20 0 DCADMM Cc1ccc(OC[C@H](O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826292322 607869175 /nfs/dbraw/zinc/86/91/75/607869175.db2.gz QHNGXZDEBDSWCY-SNVBAGLBSA-N -1 1 301.310 0.207 20 0 DCADMM NC(=O)NC[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826391947 607896650 /nfs/dbraw/zinc/89/66/50/607896650.db2.gz IHVPNXITPLEEJG-SECBINFHSA-N -1 1 302.342 0.146 20 0 DCADMM NC(=O)NC[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826391947 607896651 /nfs/dbraw/zinc/89/66/51/607896651.db2.gz IHVPNXITPLEEJG-SECBINFHSA-N -1 1 302.342 0.146 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@@H]1CCO ZINC000826472557 608054567 /nfs/dbraw/zinc/05/45/67/608054567.db2.gz OHCVPKWJCMBLJW-LLVKDONJSA-N -1 1 302.338 0.639 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@@H]1CCO ZINC000826472557 608054568 /nfs/dbraw/zinc/05/45/68/608054568.db2.gz OHCVPKWJCMBLJW-LLVKDONJSA-N -1 1 302.338 0.639 20 0 DCADMM CCCn1c(C)nnc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC000825356996 608110223 /nfs/dbraw/zinc/11/02/23/608110223.db2.gz UDJNOMKKCMAFIE-UHFFFAOYSA-N -1 1 300.326 0.387 20 0 DCADMM CNC(=O)[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826060137 608177593 /nfs/dbraw/zinc/17/75/93/608177593.db2.gz HPVXVYCVMFIWAY-YFKPBYRVSA-N -1 1 313.774 0.691 20 0 DCADMM CNC(=O)[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826060137 608177594 /nfs/dbraw/zinc/17/75/94/608177594.db2.gz HPVXVYCVMFIWAY-YFKPBYRVSA-N -1 1 313.774 0.691 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826514548 608199155 /nfs/dbraw/zinc/19/91/55/608199155.db2.gz VNQTWWLTMBVZOC-ZANVPECISA-N -1 1 303.326 0.407 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826514548 608199156 /nfs/dbraw/zinc/19/91/56/608199156.db2.gz VNQTWWLTMBVZOC-ZANVPECISA-N -1 1 303.326 0.407 20 0 DCADMM CC(=O)O[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000824005174 608199475 /nfs/dbraw/zinc/19/94/75/608199475.db2.gz LXEOESQVYAORFM-NSHDSACASA-N -1 1 316.321 0.429 20 0 DCADMM CC(=O)O[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000824005174 608199477 /nfs/dbraw/zinc/19/94/77/608199477.db2.gz LXEOESQVYAORFM-NSHDSACASA-N -1 1 316.321 0.429 20 0 DCADMM C[C@H]1C[C@@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000824885614 608209052 /nfs/dbraw/zinc/20/90/52/608209052.db2.gz TVQAYYARECNOAY-IUCAKERBSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@H]1C[C@@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000824885614 608209055 /nfs/dbraw/zinc/20/90/55/608209055.db2.gz TVQAYYARECNOAY-IUCAKERBSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@H]1C[C@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000824885611 608209059 /nfs/dbraw/zinc/20/90/59/608209059.db2.gz TVQAYYARECNOAY-DTWKUNHWSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@H]1C[C@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000824885611 608209060 /nfs/dbraw/zinc/20/90/60/608209060.db2.gz TVQAYYARECNOAY-DTWKUNHWSA-N -1 1 320.357 0.537 20 0 DCADMM Cc1ccn2ncc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)c2c1 ZINC000826308485 608342862 /nfs/dbraw/zinc/34/28/62/608342862.db2.gz BLEAZHHUMPMFFE-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1ccn2ncc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)c2c1 ZINC000826308485 608342863 /nfs/dbraw/zinc/34/28/63/608342863.db2.gz BLEAZHHUMPMFFE-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM c1cc(N2CCC(C3OCCO3)CC2)nnc1-c1nnn[n-]1 ZINC000826516616 608411427 /nfs/dbraw/zinc/41/14/27/608411427.db2.gz SNOBWOIEORRNEO-UHFFFAOYSA-N -1 1 303.326 0.246 20 0 DCADMM c1cc(N2CCC(C3OCCO3)CC2)nnc1-c1nn[n-]n1 ZINC000826516616 608411428 /nfs/dbraw/zinc/41/14/28/608411428.db2.gz SNOBWOIEORRNEO-UHFFFAOYSA-N -1 1 303.326 0.246 20 0 DCADMM O=C(CNc1ccc(-c2nnn[n-]2)nn1)OC1CCCCC1 ZINC000826414326 608428635 /nfs/dbraw/zinc/42/86/35/608428635.db2.gz PUYPBWKGQYNPDY-UHFFFAOYSA-N -1 1 303.326 0.945 20 0 DCADMM O=C(CNc1ccc(-c2nn[n-]n2)nn1)OC1CCCCC1 ZINC000826414326 608428636 /nfs/dbraw/zinc/42/86/36/608428636.db2.gz PUYPBWKGQYNPDY-UHFFFAOYSA-N -1 1 303.326 0.945 20 0 DCADMM Nc1cc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)[nH]n1 ZINC000826395560 608429847 /nfs/dbraw/zinc/42/98/47/608429847.db2.gz IQUMRUMKWBKIDM-UHFFFAOYSA-N -1 1 312.341 0.346 20 0 DCADMM Nc1cc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)[nH]n1 ZINC000826395560 608429848 /nfs/dbraw/zinc/42/98/48/608429848.db2.gz IQUMRUMKWBKIDM-UHFFFAOYSA-N -1 1 312.341 0.346 20 0 DCADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](O)C(F)(F)F ZINC000825148292 608438672 /nfs/dbraw/zinc/43/86/72/608438672.db2.gz PFRCMIITQVPZCP-XNCJUZBTSA-N -1 1 303.248 0.770 20 0 DCADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](O)C(F)(F)F ZINC000825148292 608438674 /nfs/dbraw/zinc/43/86/74/608438674.db2.gz PFRCMIITQVPZCP-XNCJUZBTSA-N -1 1 303.248 0.770 20 0 DCADMM COC[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826149779 608756704 /nfs/dbraw/zinc/75/67/04/608756704.db2.gz OTVHAWWVZPHMQG-SSDOTTSWSA-N -1 1 315.330 0.319 20 0 DCADMM COC[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826149779 608756705 /nfs/dbraw/zinc/75/67/05/608756705.db2.gz OTVHAWWVZPHMQG-SSDOTTSWSA-N -1 1 315.330 0.319 20 0 DCADMM CCC[C@H]1C[C@@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)CCO1 ZINC000825253507 609149906 /nfs/dbraw/zinc/14/99/06/609149906.db2.gz NECXJFOMQFYRHC-IUCAKERBSA-N -1 1 305.342 0.881 20 0 DCADMM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825908900 609403184 /nfs/dbraw/zinc/40/31/84/609403184.db2.gz NZIPXJHNJIKTJK-AAEUAGOBSA-N -1 1 316.365 0.885 20 0 DCADMM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825908900 609403186 /nfs/dbraw/zinc/40/31/86/609403186.db2.gz NZIPXJHNJIKTJK-AAEUAGOBSA-N -1 1 316.365 0.885 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H](F)Cc1ccccc1 ZINC000826395047 609405066 /nfs/dbraw/zinc/40/50/66/609405066.db2.gz KVMLKQJOXHCMTR-JTQLQIEISA-N -1 1 301.285 0.866 20 0 DCADMM 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CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001691630965 1158407242 /nfs/dbraw/zinc/40/72/42/1158407242.db2.gz LUBXLXCEDRMAES-NVRFYQKYSA-N -1 1 305.382 0.350 20 0 DCADMM O=C(NCCO)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000387081486 1158488477 /nfs/dbraw/zinc/48/84/77/1158488477.db2.gz PMWUHDPCBBVKLU-UHFFFAOYSA-N -1 1 301.302 0.762 20 0 DCADMM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H]1COC(C)(C)C1)C1CC1 ZINC001649920417 1158627081 /nfs/dbraw/zinc/62/70/81/1158627081.db2.gz DGSRQIFYSTUFEF-GHMZBOCLSA-N -1 1 305.396 0.815 20 0 DCADMM CCN(CC)C(=O)CCCC(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001649335808 1158636692 /nfs/dbraw/zinc/63/66/92/1158636692.db2.gz PJNZBWLOLXPMIM-LLVKDONJSA-N -1 1 308.386 0.554 20 0 DCADMM Cn1cc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)nn1 ZINC000348530160 1158892396 /nfs/dbraw/zinc/89/23/96/1158892396.db2.gz IBXWFJOLVKZBFP-UHFFFAOYSA-N -1 1 300.282 0.160 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(Cl)nc1 ZINC001626124621 1158946008 /nfs/dbraw/zinc/94/60/08/1158946008.db2.gz GTBXJNYZJGEOEZ-UHFFFAOYSA-N -1 1 320.736 0.882 20 0 DCADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[C@H]1CCC(=O)O1 ZINC001446810192 1159549507 /nfs/dbraw/zinc/54/95/07/1159549507.db2.gz CPURLWZHCXKCSZ-SNVBAGLBSA-N -1 1 316.310 0.841 20 0 DCADMM Cc1noc(-c2ccc(CNC(=O)CCc3nn[n-]n3)cc2)n1 ZINC001447396758 1159633441 /nfs/dbraw/zinc/63/34/41/1159633441.db2.gz BJFZGLWBEUALQT-UHFFFAOYSA-N -1 1 313.321 0.807 20 0 DCADMM CCN(CCCNC(=O)C[C@H]1CCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001566541240 1160048466 /nfs/dbraw/zinc/04/84/66/1160048466.db2.gz PEMDGMBRXGMFLW-LLVKDONJSA-N -1 1 311.386 0.408 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)CCNCc2cnc(C)cn2)c1[O-] ZINC001567483001 1160388545 /nfs/dbraw/zinc/38/85/45/1160388545.db2.gz QFBJWJTZPZSPEQ-UHFFFAOYSA-N -1 1 304.354 0.384 20 0 DCADMM CNC(=O)N1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001567607938 1160439892 /nfs/dbraw/zinc/43/98/92/1160439892.db2.gz YOMRQZZPGWDLHQ-UHFFFAOYSA-N -1 1 320.378 0.115 20 0 DCADMM CCCOCC(=O)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001567695285 1160457854 /nfs/dbraw/zinc/45/78/54/1160457854.db2.gz ZUJVSWHRDUQCNO-NSHDSACASA-N -1 1 311.386 0.265 20 0 DCADMM CC(C)(C)C(=O)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001568233265 1160610748 /nfs/dbraw/zinc/61/07/48/1160610748.db2.gz XAHPEFRGLRBAAJ-UHFFFAOYSA-N -1 1 323.397 0.644 20 0 DCADMM COCCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001568509017 1160664871 /nfs/dbraw/zinc/66/48/71/1160664871.db2.gz PVYUPDQWUPXMIK-NEPJUHHUSA-N -1 1 323.397 0.360 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2 ZINC001569794797 1161251745 /nfs/dbraw/zinc/25/17/45/1161251745.db2.gz OCLGAXAFRUBSDZ-VVSRBRMASA-N -1 1 305.382 0.946 20 0 DCADMM CC(C)[C@@H](CNC(=O)[C@H]1CC[C@H]1C(=O)[O-])N1CCN(C)CC1 ZINC001573494079 1163452620 /nfs/dbraw/zinc/45/26/20/1163452620.db2.gz QDRWNKOKZLRTHU-BFHYXJOUSA-N -1 1 311.426 0.485 20 0 DCADMM C[C@@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)NC(N)=O ZINC001573541825 1163470334 /nfs/dbraw/zinc/47/03/34/1163470334.db2.gz ZBEOKMHHMBLEIB-LURJTMIESA-N -1 1 305.294 0.647 20 0 DCADMM C[C@H](NC(=O)c1nc[nH]c(=O)c1Br)[C@H](C)C(=O)[O-] ZINC001573571401 1163504739 /nfs/dbraw/zinc/50/47/39/1163504739.db2.gz IIPXUESCXWQPIC-WHFBIAKZSA-N -1 1 318.127 0.784 20 0 DCADMM CCN1CCC[C@H](NS(=O)(=O)Cc2cc(C(=O)[O-])no2)C1 ZINC001573778061 1163550876 /nfs/dbraw/zinc/55/08/76/1163550876.db2.gz NNJCTLBASNZCEQ-VIFPVBQESA-N -1 1 317.367 0.277 20 0 DCADMM CCn1cc(CNCc2cnc(C(=O)[O-])s2)c(=O)[nH]c1=O ZINC001573847816 1163567462 /nfs/dbraw/zinc/56/74/62/1163567462.db2.gz ZWLSIGUFMCHUTO-UHFFFAOYSA-N -1 1 310.335 0.413 20 0 DCADMM CN(C(=O)[C@@H](O)CC(=O)[O-])[C@H](c1nnc[nH]1)c1ccccc1 ZINC001573849959 1163567892 /nfs/dbraw/zinc/56/78/92/1163567892.db2.gz AMPDPTLGLFTPGL-JQWIXIFHSA-N -1 1 304.306 0.188 20 0 DCADMM CN(CC(=O)N(C)[C@@H](C(=O)[O-])c1cccnc1)[C@@H]1CCC[C@H]1O ZINC001573852968 1163569004 /nfs/dbraw/zinc/56/90/04/1163569004.db2.gz SWKXOSKMQHAQAI-UMVBOHGHSA-N -1 1 321.377 0.511 20 0 DCADMM C[N@@H+](CC(=O)N1CCCC1)C[C@]1(O)CCCC[C@H]1CC(=O)[O-] ZINC001573865196 1163572521 /nfs/dbraw/zinc/57/25/21/1163572521.db2.gz SRRNNXLZGSUUFG-XJKSGUPXSA-N -1 1 312.410 0.937 20 0 DCADMM CC(C)(F)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573912973 1163582133 /nfs/dbraw/zinc/58/21/33/1163582133.db2.gz JMIDNNQWPXLNSO-MRVPVSSYSA-N -1 1 320.332 0.100 20 0 DCADMM CC(C)(F)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573912973 1163582140 /nfs/dbraw/zinc/58/21/40/1163582140.db2.gz JMIDNNQWPXLNSO-MRVPVSSYSA-N -1 1 320.332 0.100 20 0 DCADMM COC(=O)c1cccc2nc(NC(=O)[C@@H](O)CC(=O)[O-])[nH]c21 ZINC001573941114 1163594132 /nfs/dbraw/zinc/59/41/32/1163594132.db2.gz CSOSZDADYXKFOS-QMMMGPOBSA-N -1 1 307.262 0.124 20 0 DCADMM CC(C)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573966175 1163608147 /nfs/dbraw/zinc/60/81/47/1163608147.db2.gz KFDJAKOHHXUJDS-NSHDSACASA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573966175 1163608158 /nfs/dbraw/zinc/60/81/58/1163608158.db2.gz KFDJAKOHHXUJDS-NSHDSACASA-N -1 1 316.369 0.619 20 0 DCADMM Cc1[nH]c(CN2CC[C@H](CNS(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001574110511 1163637893 /nfs/dbraw/zinc/63/78/93/1163637893.db2.gz HXFMWGPATZKSMZ-SNVBAGLBSA-N -1 1 315.395 0.392 20 0 DCADMM Cc1n[nH]c(CN2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c1C(=O)[O-] ZINC001574111967 1163637968 /nfs/dbraw/zinc/63/79/68/1163637968.db2.gz DLNCHXCJSXZTQI-MRVPVSSYSA-N -1 1 319.321 0.607 20 0 DCADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001574110348 1163638110 /nfs/dbraw/zinc/63/81/10/1163638110.db2.gz ALGLLFNLMXVJIQ-JTQLQIEISA-N -1 1 306.322 0.386 20 0 DCADMM Cc1cc(C)n(CCN2CCC(C(=O)[O-])([S@@](C)=O)CC2)n1 ZINC001574136165 1163645916 /nfs/dbraw/zinc/64/59/16/1163645916.db2.gz XAJCLTUEJNYHEH-OAQYLSRUSA-N -1 1 313.423 0.798 20 0 DCADMM Cc1[nH]nc(S(=O)(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1C(=O)[O-] ZINC001574183163 1163655385 /nfs/dbraw/zinc/65/53/85/1163655385.db2.gz YTIPZVSPQFLQRM-VXNVDRBHSA-N -1 1 316.383 0.177 20 0 DCADMM Cc1onc(CO)c1C(=O)N1CC[C@H](c2[nH]ncc2C(=O)[O-])C1 ZINC001574208110 1163663427 /nfs/dbraw/zinc/66/34/27/1163663427.db2.gz RCZZVMMLNMSGQH-QMMMGPOBSA-N -1 1 320.305 0.526 20 0 DCADMM O=C(CCCc1nn[nH]n1)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC001574293426 1163688351 /nfs/dbraw/zinc/68/83/51/1163688351.db2.gz IQHOAYJTUFZTNC-LBPRGKRZSA-N -1 1 317.349 0.582 20 0 DCADMM O=C([O-])c1c[nH]c(NC(=O)Cc2n[nH]c(C3CCOCC3)n2)n1 ZINC001574302044 1163691371 /nfs/dbraw/zinc/69/13/71/1163691371.db2.gz PALVKXQLHHPLFD-UHFFFAOYSA-N -1 1 320.309 0.301 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@H]1CCN(C(=O)CCc2cnccn2)C1 ZINC001574415301 1163717240 /nfs/dbraw/zinc/71/72/40/1163717240.db2.gz NYPMRFBFHOFELR-JTQLQIEISA-N -1 1 315.333 0.847 20 0 DCADMM O=C([O-])c1cnn(C2CCN(C(=O)c3cnncc3O)CC2)c1 ZINC001574417556 1163717367 /nfs/dbraw/zinc/71/73/67/1163717367.db2.gz MBZFWZMBPKLXBX-UHFFFAOYSA-N -1 1 317.305 0.554 20 0 DCADMM O=C([O-])c1nccc(NC[C@@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC001574423118 1163719525 /nfs/dbraw/zinc/71/95/25/1163719525.db2.gz IIDACLZPSKRKJH-STQMWFEESA-N -1 1 320.393 0.900 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001574431269 1163723559 /nfs/dbraw/zinc/72/35/59/1163723559.db2.gz VBPKMMHFUAMPHY-IUCAKERBSA-N -1 1 307.306 0.377 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC1(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574861945 1163776825 /nfs/dbraw/zinc/77/68/25/1163776825.db2.gz PJPAJNNECGNDHI-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC1(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574861945 1163776830 /nfs/dbraw/zinc/77/68/30/1163776830.db2.gz PJPAJNNECGNDHI-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(=O)NCc1ccccc1 ZINC001575439426 1164014362 /nfs/dbraw/zinc/01/43/62/1164014362.db2.gz TUDIQGIIMZWJFP-SNVBAGLBSA-N -1 1 324.348 0.195 20 0 DCADMM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1c[n-][nH]c1=O ZINC001575492759 1164034987 /nfs/dbraw/zinc/03/49/87/1164034987.db2.gz CUKGDTNCRHYXCH-ZETCQYMHSA-N -1 1 315.293 0.701 20 0 DCADMM CC1(C)COC(=O)[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001575736408 1164126408 /nfs/dbraw/zinc/12/64/08/1164126408.db2.gz RDOZCQZNROGKRT-SECBINFHSA-N -1 1 317.309 0.335 20 0 DCADMM CC1(C)COC(=O)[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001575736408 1164126411 /nfs/dbraw/zinc/12/64/11/1164126411.db2.gz RDOZCQZNROGKRT-SECBINFHSA-N -1 1 317.309 0.335 20 0 DCADMM CC1(C)OC[C@H]2C[C@]21C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001575751907 1164134560 /nfs/dbraw/zinc/13/45/60/1164134560.db2.gz FYIXDQCMIPZGBP-MEBBXXQBSA-N -1 1 314.349 0.693 20 0 DCADMM CC1(C)OC[C@H]2C[C@]21C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001575751907 1164134567 /nfs/dbraw/zinc/13/45/67/1164134567.db2.gz FYIXDQCMIPZGBP-MEBBXXQBSA-N -1 1 314.349 0.693 20 0 DCADMM C[C@H]1C[C@@H](C(=O)NCCCNC(=O)c2ncccc2[O-])CO1 ZINC001575795235 1164154372 /nfs/dbraw/zinc/15/43/72/1164154372.db2.gz YMJPMYJDDHGKOF-WDEREUQCSA-N -1 1 307.350 0.448 20 0 DCADMM CCC(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576409262 1164330113 /nfs/dbraw/zinc/33/01/13/1164330113.db2.gz CPROWJZAASMOLI-JTQLQIEISA-N -1 1 316.369 0.412 20 0 DCADMM CCC(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001576409262 1164330119 /nfs/dbraw/zinc/33/01/19/1164330119.db2.gz CPROWJZAASMOLI-JTQLQIEISA-N -1 1 316.369 0.412 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576421346 1164338482 /nfs/dbraw/zinc/33/84/82/1164338482.db2.gz RYGYWCHBDAXAEG-VIFPVBQESA-N -1 1 302.342 0.388 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001576421346 1164338490 /nfs/dbraw/zinc/33/84/90/1164338490.db2.gz RYGYWCHBDAXAEG-VIFPVBQESA-N -1 1 302.342 0.388 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576420110 1164338832 /nfs/dbraw/zinc/33/88/32/1164338832.db2.gz IFCHKURATGYDAR-SNVBAGLBSA-N -1 1 316.369 0.282 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001576430145 1164340028 /nfs/dbraw/zinc/34/00/28/1164340028.db2.gz UHLMGBYEUFYDIU-NXEZZACHSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001576430145 1164340037 /nfs/dbraw/zinc/34/00/37/1164340037.db2.gz UHLMGBYEUFYDIU-NXEZZACHSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576438401 1164342916 /nfs/dbraw/zinc/34/29/16/1164342916.db2.gz QYNNKLZVGXAAHH-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576438401 1164342922 /nfs/dbraw/zinc/34/29/22/1164342922.db2.gz QYNNKLZVGXAAHH-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@@H](C)CN(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576438537 1164343591 /nfs/dbraw/zinc/34/35/91/1164343591.db2.gz SEDOWVUFQAITKJ-VIFPVBQESA-N -1 1 318.385 0.570 20 0 DCADMM CCC(=O)N[C@@H](C)CN(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576438537 1164343599 /nfs/dbraw/zinc/34/35/99/1164343599.db2.gz SEDOWVUFQAITKJ-VIFPVBQESA-N -1 1 318.385 0.570 20 0 DCADMM CCC(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576438024 1164343947 /nfs/dbraw/zinc/34/39/47/1164343947.db2.gz 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CNC(=O)[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001579386892 1165295959 /nfs/dbraw/zinc/29/59/59/1165295959.db2.gz PVJWAAVUDTZBBX-VIFPVBQESA-N -1 1 324.348 0.382 20 0 DCADMM COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1 ZINC001579445659 1165312640 /nfs/dbraw/zinc/31/26/40/1165312640.db2.gz GACUSRPTCNBXFQ-LOKLDPHHSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)[C@H]1C[C@@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1 ZINC001579445659 1165312643 /nfs/dbraw/zinc/31/26/43/1165312643.db2.gz GACUSRPTCNBXFQ-LOKLDPHHSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)C[C@@H](C)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001579445097 1165312923 /nfs/dbraw/zinc/31/29/23/1165312923.db2.gz CFZTXAUYQQZAGZ-SSDOTTSWSA-N -1 1 320.309 0.408 20 0 DCADMM COC(=O)c1sccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001579493908 1165333601 /nfs/dbraw/zinc/33/36/01/1165333601.db2.gz XJZQQCGJUZYGGU-UHFFFAOYSA-N -1 1 319.306 0.690 20 0 DCADMM COC(=O)c1sccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001579493908 1165333608 /nfs/dbraw/zinc/33/36/08/1165333608.db2.gz XJZQQCGJUZYGGU-UHFFFAOYSA-N -1 1 319.306 0.690 20 0 DCADMM CO[C@@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001579618204 1165362134 /nfs/dbraw/zinc/36/21/34/1165362134.db2.gz JRCNHDCAZDMJRU-JTQLQIEISA-N -1 1 324.366 0.443 20 0 DCADMM COC[C@@H]1CCCCN1C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001579747996 1165388300 /nfs/dbraw/zinc/38/83/00/1165388300.db2.gz RPIXFMBSYSBURQ-ZJUUUORDSA-N -1 1 320.357 0.047 20 0 DCADMM COCn1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001579848539 1165409162 /nfs/dbraw/zinc/40/91/62/1165409162.db2.gz YZOORQHIPKQFKM-UHFFFAOYSA-N -1 1 319.350 0.659 20 0 DCADMM CON1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)oc2C)CC1 ZINC001579848170 1165409860 /nfs/dbraw/zinc/40/98/60/1165409860.db2.gz QTNAIMHOXJIOMZ-UHFFFAOYSA-N -1 1 320.353 0.866 20 0 DCADMM CON1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)oc2C)CC1 ZINC001579848170 1165409865 /nfs/dbraw/zinc/40/98/65/1165409865.db2.gz QTNAIMHOXJIOMZ-UHFFFAOYSA-N -1 1 320.353 0.866 20 0 DCADMM COc1ccc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001579995408 1165466146 /nfs/dbraw/zinc/46/61/46/1165466146.db2.gz DVBVZKAMYBDZJP-UHFFFAOYSA-N -1 1 313.321 0.790 20 0 DCADMM COc1ccc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001579995408 1165466150 /nfs/dbraw/zinc/46/61/50/1165466150.db2.gz DVBVZKAMYBDZJP-UHFFFAOYSA-N -1 1 313.321 0.790 20 0 DCADMM COc1ccc(CNc2cncc(-c3nnn[n-]3)n2)c(OC)n1 ZINC001580030891 1165477810 /nfs/dbraw/zinc/47/78/10/1165477810.db2.gz LPCULFDFPKWCBR-UHFFFAOYSA-N -1 1 314.309 0.681 20 0 DCADMM COc1ccc(CNc2cncc(-c3nn[n-]n3)n2)c(OC)n1 ZINC001580030891 1165477814 /nfs/dbraw/zinc/47/78/14/1165477814.db2.gz LPCULFDFPKWCBR-UHFFFAOYSA-N -1 1 314.309 0.681 20 0 DCADMM COc1ncc(NC(=O)Cn2nccc2C)cc1-c1nn[n-]n1 ZINC001580135295 1165514069 /nfs/dbraw/zinc/51/40/69/1165514069.db2.gz YRKBOMCEOJEZGZ-UHFFFAOYSA-N -1 1 314.309 0.414 20 0 DCADMM COc1ncc(NC(=O)N[C@@H]2C[C@]2(C)OC)cc1-c1nn[n-]n1 ZINC001580139146 1165516526 /nfs/dbraw/zinc/51/65/26/1165516526.db2.gz XDJHNHQKCRRAGP-RNCFNFMXSA-N -1 1 319.325 0.569 20 0 DCADMM CS[C@H](C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001580174663 1165528445 /nfs/dbraw/zinc/52/84/45/1165528445.db2.gz HIZDOFXFEVPTGF-MRVPVSSYSA-N -1 1 322.398 0.279 20 0 DCADMM CS[C@H](C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001580174663 1165528452 /nfs/dbraw/zinc/52/84/52/1165528452.db2.gz HIZDOFXFEVPTGF-MRVPVSSYSA-N -1 1 322.398 0.279 20 0 DCADMM CSc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccn1 ZINC001580230585 1165542174 /nfs/dbraw/zinc/54/21/74/1165542174.db2.gz IAOVTQZLFNXBLR-UHFFFAOYSA-N -1 1 316.350 0.969 20 0 DCADMM CSc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccn1 ZINC001580230585 1165542181 /nfs/dbraw/zinc/54/21/81/1165542181.db2.gz IAOVTQZLFNXBLR-UHFFFAOYSA-N -1 1 316.350 0.969 20 0 DCADMM CSc1cccnc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001580236594 1165544334 /nfs/dbraw/zinc/54/43/34/1165544334.db2.gz OODQKJPHUBJNHC-UHFFFAOYSA-N -1 1 317.338 0.214 20 0 DCADMM CSc1nnc(CNC(=O)c2coc(-c3nnn[n-]3)c2)s1 ZINC001580237683 1165544631 /nfs/dbraw/zinc/54/46/31/1165544631.db2.gz AXMHCPICWCQNMW-UHFFFAOYSA-N -1 1 323.363 0.963 20 0 DCADMM CSc1nnc(CNC(=O)c2coc(-c3nn[n-]n3)c2)s1 ZINC001580237683 1165544639 /nfs/dbraw/zinc/54/46/39/1165544639.db2.gz AXMHCPICWCQNMW-UHFFFAOYSA-N -1 1 323.363 0.963 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccoc1 ZINC001580293974 1165561293 /nfs/dbraw/zinc/56/12/93/1165561293.db2.gz QAMNEBAYVZIOCB-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccoc1 ZINC001580293974 1165561299 /nfs/dbraw/zinc/56/12/99/1165561299.db2.gz QAMNEBAYVZIOCB-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC1(C)CC1 ZINC001580416410 1165597283 /nfs/dbraw/zinc/59/72/83/1165597283.db2.gz DDCHFEOUAAFDOA-SECBINFHSA-N -1 1 316.369 0.185 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc[nH]1 ZINC001580416053 1165597626 /nfs/dbraw/zinc/59/76/26/1165597626.db2.gz NNROBCLSKDYXNF-MRVPVSSYSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc[nH]1 ZINC001580416053 1165597631 /nfs/dbraw/zinc/59/76/31/1165597631.db2.gz NNROBCLSKDYXNF-MRVPVSSYSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC001580445151 1165603981 /nfs/dbraw/zinc/60/39/81/1165603981.db2.gz RCBBYRSTYQKVLQ-MNOVXSKESA-N -1 1 316.365 0.830 20 0 DCADMM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC001580445151 1165603985 /nfs/dbraw/zinc/60/39/85/1165603985.db2.gz RCBBYRSTYQKVLQ-MNOVXSKESA-N -1 1 316.365 0.830 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC001580600449 1165651567 /nfs/dbraw/zinc/65/15/67/1165651567.db2.gz DJMJFTUVCNMMEI-BDAKNGLRSA-N -1 1 318.337 0.165 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC1(O)CCCC1 ZINC001580602275 1165653295 /nfs/dbraw/zinc/65/32/95/1165653295.db2.gz GPNKPOLBABWIHL-UHFFFAOYSA-N -1 1 318.337 0.311 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CN(C)C(=O)C2CC2)n1 ZINC001580690988 1165688728 /nfs/dbraw/zinc/68/87/28/1165688728.db2.gz AWEDLNBGXLRWFS-VIFPVBQESA-N -1 1 316.369 0.634 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CN(C)C(=O)C2CC2)n1 ZINC001580690988 1165688733 /nfs/dbraw/zinc/68/87/33/1165688733.db2.gz AWEDLNBGXLRWFS-VIFPVBQESA-N -1 1 316.369 0.634 20 0 DCADMM Cc1ccccc1OCC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001581260730 1165806789 /nfs/dbraw/zinc/80/67/89/1165806789.db2.gz ZRWWRZGHTPNYCR-UHFFFAOYSA-N -1 1 313.321 0.926 20 0 DCADMM Cc1ccccc1OCC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001581260730 1165806809 /nfs/dbraw/zinc/80/68/09/1165806809.db2.gz ZRWWRZGHTPNYCR-UHFFFAOYSA-N -1 1 313.321 0.926 20 0 DCADMM Cc1onc(CC(=O)NCc2ncc(C)cn2)c1-c1nnn[n-]1 ZINC001581318998 1165813741 /nfs/dbraw/zinc/81/37/41/1165813741.db2.gz HTCVTLQFRJMBBW-UHFFFAOYSA-N -1 1 314.309 0.120 20 0 DCADMM Cc1onc(CC(=O)NCc2ncc(C)cn2)c1-c1nn[n-]n1 ZINC001581318998 1165813751 /nfs/dbraw/zinc/81/37/51/1165813751.db2.gz HTCVTLQFRJMBBW-UHFFFAOYSA-N -1 1 314.309 0.120 20 0 DCADMM Cc1nnc(Sc2cc(-c3nnn[n-]3)nc(C3CC3)n2)n1N ZINC001581612530 1165851557 /nfs/dbraw/zinc/85/15/57/1165851557.db2.gz RFHVMPLGUCJLAK-UHFFFAOYSA-N -1 1 316.354 0.299 20 0 DCADMM Cc1nnc(Sc2cc(-c3nn[n-]n3)nc(C3CC3)n2)n1N ZINC001581612530 1165851565 /nfs/dbraw/zinc/85/15/65/1165851565.db2.gz RFHVMPLGUCJLAK-UHFFFAOYSA-N -1 1 316.354 0.299 20 0 DCADMM Cc1nnc2c(Oc3ccc(F)nc3-c3nn[n-]n3)nccn12 ZINC001581612937 1165852671 /nfs/dbraw/zinc/85/26/71/1165852671.db2.gz YGIYWVXQGWMKIB-UHFFFAOYSA-N -1 1 313.256 0.939 20 0 DCADMM Cc1nsc(N2CC[C@H](NC(=O)C(C)C)C2)c1-c1nn[n-]n1 ZINC001581670188 1165858022 /nfs/dbraw/zinc/85/80/22/1165858022.db2.gz WZIZGGKVTWVSEG-VIFPVBQESA-N -1 1 321.410 0.983 20 0 DCADMM Cc1nsc(NC(=O)COC[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC001581685127 1165858448 /nfs/dbraw/zinc/85/84/48/1165858448.db2.gz HIQFWKVXZZTUFJ-QMMMGPOBSA-N -1 1 324.366 0.766 20 0 DCADMM Cc1nsc(NC(=O)COC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001581685127 1165858455 /nfs/dbraw/zinc/85/84/55/1165858455.db2.gz HIQFWKVXZZTUFJ-QMMMGPOBSA-N -1 1 324.366 0.766 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1nnc(C2CC2)[nH]1 ZINC001581727173 1165861356 /nfs/dbraw/zinc/86/13/56/1165861356.db2.gz LHMRRGQSAFCMLZ-UHFFFAOYSA-N -1 1 314.309 0.694 20 0 DCADMM Cn1c(=O)[nH]c(Sc2ccccc2)c(-c2nn[n-]n2)c1=O ZINC001581748401 1165863813 /nfs/dbraw/zinc/86/38/13/1165863813.db2.gz AFNCSAJMTJWEFT-UHFFFAOYSA-N -1 1 302.319 0.405 20 0 DCADMM Cn1cc(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001581766238 1165870391 /nfs/dbraw/zinc/87/03/91/1165870391.db2.gz CUMLFCQASGZACN-UHFFFAOYSA-N -1 1 303.351 0.521 20 0 DCADMM NC(=O)c1cnc(NC(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001581905558 1165909963 /nfs/dbraw/zinc/90/99/63/1165909963.db2.gz PKBALNHNXRXKLE-UHFFFAOYSA-N -1 1 305.279 0.267 20 0 DCADMM O=C(C=C1CCC1)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001581952924 1165921587 /nfs/dbraw/zinc/92/15/87/1165921587.db2.gz GGMCIKUGJUZFAR-UHFFFAOYSA-N -1 1 300.326 0.295 20 0 DCADMM O=C(C=C1CCC1)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001581952924 1165921593 /nfs/dbraw/zinc/92/15/93/1165921593.db2.gz GGMCIKUGJUZFAR-UHFFFAOYSA-N -1 1 300.326 0.295 20 0 DCADMM O=C(CC1CC1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001581968336 1165926017 /nfs/dbraw/zinc/92/60/17/1165926017.db2.gz ZLGFTOBDBIORPD-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CC1CC1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001581968336 1165926024 /nfs/dbraw/zinc/92/60/24/1165926024.db2.gz ZLGFTOBDBIORPD-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CC1CC1)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001581971243 1165926946 /nfs/dbraw/zinc/92/69/46/1165926946.db2.gz CZGRWGNUAKELHK-OWOJBTEDSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(CC1CC1)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001581971243 1165926951 /nfs/dbraw/zinc/92/69/51/1165926951.db2.gz CZGRWGNUAKELHK-OWOJBTEDSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(CCNc1cncc(-c2nnn[n-]2)n1)NCc1ccccc1 ZINC001582055656 1165945256 /nfs/dbraw/zinc/94/52/56/1165945256.db2.gz PGOLLEJXMRVLGK-UHFFFAOYSA-N -1 1 324.348 0.775 20 0 DCADMM O=C(CCNc1cncc(-c2nn[n-]n2)n1)NCc1ccccc1 ZINC001582055656 1165945264 /nfs/dbraw/zinc/94/52/64/1165945264.db2.gz PGOLLEJXMRVLGK-UHFFFAOYSA-N -1 1 324.348 0.775 20 0 DCADMM O=C(CCc1ccncn1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582066796 1165948883 /nfs/dbraw/zinc/94/88/83/1165948883.db2.gz MFDSLBKMQPUOQE-UHFFFAOYSA-N -1 1 315.362 0.967 20 0 DCADMM O=C(N[C@H](CO)Cc1ccncc1)c1coc(-c2nnn[n-]2)c1 ZINC001582230811 1165986725 /nfs/dbraw/zinc/98/67/25/1165986725.db2.gz MHPKMWZXDPBWFR-NSHDSACASA-N -1 1 314.305 0.188 20 0 DCADMM O=C(N[C@H](CO)Cc1ccncc1)c1coc(-c2nn[n-]n2)c1 ZINC001582230811 1165986730 /nfs/dbraw/zinc/98/67/30/1165986730.db2.gz MHPKMWZXDPBWFR-NSHDSACASA-N -1 1 314.305 0.188 20 0 DCADMM O=C(N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C1CC1 ZINC001582227954 1165986874 /nfs/dbraw/zinc/98/68/74/1165986874.db2.gz SZBRCYBULNTDJK-SNVBAGLBSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C1CC1 ZINC001582227954 1165986878 /nfs/dbraw/zinc/98/68/78/1165986878.db2.gz SZBRCYBULNTDJK-SNVBAGLBSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC1=NCCS1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582249100 1165991331 /nfs/dbraw/zinc/99/13/31/1165991331.db2.gz VEOUKGBIRZYGMN-UHFFFAOYSA-N -1 1 310.289 0.978 20 0 DCADMM O=C(NC1=NCCS1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582249100 1165991333 /nfs/dbraw/zinc/99/13/33/1165991333.db2.gz VEOUKGBIRZYGMN-UHFFFAOYSA-N -1 1 310.289 0.978 20 0 DCADMM O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001582269725 1165994562 /nfs/dbraw/zinc/99/45/62/1165994562.db2.gz GMDRNNRWGYUBOE-RKDXNWHRSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001582269725 1165994565 /nfs/dbraw/zinc/99/45/65/1165994565.db2.gz GMDRNNRWGYUBOE-RKDXNWHRSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)C1CC1 ZINC001582394535 1166011923 /nfs/dbraw/zinc/01/19/23/1166011923.db2.gz PAAYURIXYKLGTG-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)C1CC1 ZINC001582394535 1166011929 /nfs/dbraw/zinc/01/19/29/1166011929.db2.gz PAAYURIXYKLGTG-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)C1CC1 ZINC001582402856 1166013092 /nfs/dbraw/zinc/01/30/92/1166013092.db2.gz IGXWWKKMJRSLBC-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)C1CC1 ZINC001582402856 1166013095 /nfs/dbraw/zinc/01/30/95/1166013095.db2.gz IGXWWKKMJRSLBC-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC1CC(CCO)C1 ZINC001582549152 1166040550 /nfs/dbraw/zinc/04/05/50/1166040550.db2.gz QAOOTASVHKDRAD-UHFFFAOYSA-N -1 1 322.394 0.888 20 0 DCADMM O=C(Nc1cc(CO)cc(CO)c1)c1coc(-c2nnn[n-]2)c1 ZINC001582634900 1166057141 /nfs/dbraw/zinc/05/71/41/1166057141.db2.gz UZOJGLOQFQBYEQ-UHFFFAOYSA-N -1 1 315.289 0.697 20 0 DCADMM O=C(Nc1cc(CO)cc(CO)c1)c1coc(-c2nn[n-]n2)c1 ZINC001582634900 1166057147 /nfs/dbraw/zinc/05/71/47/1166057147.db2.gz UZOJGLOQFQBYEQ-UHFFFAOYSA-N -1 1 315.289 0.697 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]2COC[C@@H]21 ZINC001582648076 1166059374 /nfs/dbraw/zinc/05/93/74/1166059374.db2.gz NFUGQZYNAJJLGH-SKDRFNHKSA-N -1 1 315.337 0.904 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]2COC[C@@H]21 ZINC001582648076 1166059380 /nfs/dbraw/zinc/05/93/80/1166059380.db2.gz NFUGQZYNAJJLGH-SKDRFNHKSA-N -1 1 315.337 0.904 20 0 DCADMM O=C1CC[C@@H](c2cccc(Nc3ccnc(-c4nn[n-]n4)n3)c2)N1 ZINC001582767071 1166077544 /nfs/dbraw/zinc/07/75/44/1166077544.db2.gz PVEKEAZVVAERBO-NSHDSACASA-N -1 1 322.332 0.773 20 0 DCADMM OCC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001582811798 1166090583 /nfs/dbraw/zinc/09/05/83/1166090583.db2.gz FAEMCQDSPMRLLR-NSHDSACASA-N -1 1 315.312 0.753 20 0 DCADMM OC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001582812711 1166091037 /nfs/dbraw/zinc/09/10/37/1166091037.db2.gz QLTAZEBYVXIDEL-SECBINFHSA-N -1 1 319.275 0.502 20 0 DCADMM O=C(C(=O)N1CCOC[C@@H]1c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001586806358 1166500288 /nfs/dbraw/zinc/50/02/88/1166500288.db2.gz UVAFUXCLVSCBQZ-SNVBAGLBSA-N -1 1 321.724 0.636 20 0 DCADMM O=CNc1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC001587870030 1166511410 /nfs/dbraw/zinc/51/14/10/1166511410.db2.gz NYLDBHLNKALOJA-UHFFFAOYSA-N -1 1 300.322 0.788 20 0 DCADMM C=CC(=O)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001588466642 1166556862 /nfs/dbraw/zinc/55/68/62/1166556862.db2.gz FIJHJLQXVHYMIT-UHFFFAOYSA-N -1 1 306.351 0.189 20 0 DCADMM C=CC(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001588466925 1166557916 /nfs/dbraw/zinc/55/79/16/1166557916.db2.gz WORZTFRZYCDGCM-UHFFFAOYSA-N -1 1 305.367 0.466 20 0 DCADMM C=Cc1ccc(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001588734047 1166581076 /nfs/dbraw/zinc/58/10/76/1166581076.db2.gz QKELZPNSHMQVLE-UHFFFAOYSA-N -1 1 324.348 0.460 20 0 DCADMM C/C(=C/C(C)(C)C)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588767951 1166587151 /nfs/dbraw/zinc/58/71/51/1166587151.db2.gz JOLIXFVJMGZXQN-CLFYSBASSA-N -1 1 304.358 0.567 20 0 DCADMM CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588819015 1166597982 /nfs/dbraw/zinc/59/79/82/1166597982.db2.gz QBQRNLZJAAWYGP-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588819015 1166597986 /nfs/dbraw/zinc/59/79/86/1166597986.db2.gz QBQRNLZJAAWYGP-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N[C@H](C)CCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001588835262 1166602545 /nfs/dbraw/zinc/60/25/45/1166602545.db2.gz DDZJGYDHXIWRJY-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CC(=O)N[C@H](C)CCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001588835262 1166602555 /nfs/dbraw/zinc/60/25/55/1166602555.db2.gz DDZJGYDHXIWRJY-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588840329 1166606435 /nfs/dbraw/zinc/60/64/35/1166606435.db2.gz ZYJXDUAGBRQBRJ-VHSXEESVSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588840329 1166606438 /nfs/dbraw/zinc/60/64/38/1166606438.db2.gz ZYJXDUAGBRQBRJ-VHSXEESVSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)NC[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001588854774 1166608810 /nfs/dbraw/zinc/60/88/10/1166608810.db2.gz KYCDSSCZIBJDIF-NSHDSACASA-N -1 1 316.369 0.460 20 0 DCADMM CC(=O)NC[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001588854774 1166608815 /nfs/dbraw/zinc/60/88/15/1166608815.db2.gz KYCDSSCZIBJDIF-NSHDSACASA-N -1 1 316.369 0.460 20 0 DCADMM CC(=O)OC(C)(C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001588887196 1166613327 /nfs/dbraw/zinc/61/33/27/1166613327.db2.gz XEPJCFMBQHLZHA-UHFFFAOYSA-N -1 1 304.310 0.220 20 0 DCADMM CC(=O)OC(C)(C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001588887196 1166613333 /nfs/dbraw/zinc/61/33/33/1166613333.db2.gz XEPJCFMBQHLZHA-UHFFFAOYSA-N -1 1 304.310 0.220 20 0 DCADMM CC(=O)c1nn(C)cc1OCc1nc(-c2nnn[n-]2)cs1 ZINC001588924145 1166616634 /nfs/dbraw/zinc/61/66/34/1166616634.db2.gz FDYJDKUPEDONSL-UHFFFAOYSA-N -1 1 305.323 0.838 20 0 DCADMM CC(=O)c1nn(C)cc1OCc1nc(-c2nn[n-]n2)cs1 ZINC001588924145 1166616642 /nfs/dbraw/zinc/61/66/42/1166616642.db2.gz FDYJDKUPEDONSL-UHFFFAOYSA-N -1 1 305.323 0.838 20 0 DCADMM C[C@@H](C(=O)N(C)C1(C)CCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588936268 1166619110 /nfs/dbraw/zinc/61/91/10/1166619110.db2.gz FZIVKEULTKTEHL-VIFPVBQESA-N -1 1 304.358 0.810 20 0 DCADMM C[C@H](C(=O)NC(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588965654 1166621079 /nfs/dbraw/zinc/62/10/79/1166621079.db2.gz HLHYNRDJLSKENW-MRVPVSSYSA-N -1 1 304.358 0.396 20 0 DCADMM C[C@H](C(=O)NC(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588965654 1166621084 /nfs/dbraw/zinc/62/10/84/1166621084.db2.gz HLHYNRDJLSKENW-MRVPVSSYSA-N -1 1 304.358 0.396 20 0 DCADMM C[C@H](C(=O)N1CCC[C@@H](CF)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588954851 1166622555 /nfs/dbraw/zinc/62/25/55/1166622555.db2.gz PGZQQSSGOFOSBC-BDAKNGLRSA-N -1 1 308.321 0.227 20 0 DCADMM C[C@@H](C(=O)N1CCC[C@H](CCF)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588952204 1166622577 /nfs/dbraw/zinc/62/25/77/1166622577.db2.gz OXPANDGDAMTEKW-VHSXEESVSA-N -1 1 322.348 0.617 20 0 DCADMM C[C@H](C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588948600 1166622626 /nfs/dbraw/zinc/62/26/26/1166622626.db2.gz KQOOCXZZVVMSQR-HLTSFMKQSA-N -1 1 302.342 0.134 20 0 DCADMM C[C@H](C(=O)N[C@H]1CCC(C)(C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588972406 1166624576 /nfs/dbraw/zinc/62/45/76/1166624576.db2.gz KAOCOTTVWXCGJB-BDAKNGLRSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@H](C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21)n1cnc(-c2nn[n-]n2)n1 ZINC001588984174 1166626656 /nfs/dbraw/zinc/62/66/56/1166626656.db2.gz VPQRKCRRGONFRL-ZNSHCXBVSA-N -1 1 316.369 0.572 20 0 DCADMM C[C@H](C(=O)NCCCC1CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588990089 1166626664 /nfs/dbraw/zinc/62/66/64/1166626664.db2.gz HUOWCYJXMQWAPT-SECBINFHSA-N -1 1 304.358 0.716 20 0 DCADMM C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001589006197 1166626711 /nfs/dbraw/zinc/62/67/11/1166626711.db2.gz CVSHSUGKGVVGKX-RKDXNWHRSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@@H](C(=O)NCCOC1CCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588992736 1166627739 /nfs/dbraw/zinc/62/77/39/1166627739.db2.gz ZYTUZSRKDSIMDJ-VIFPVBQESA-N -1 1 320.357 0.095 20 0 DCADMM C[C@H](C(=O)OC/C(Cl)=C\Cl)n1cnc(-c2nn[n-]n2)n1 ZINC001589025787 1166629109 /nfs/dbraw/zinc/62/91/09/1166629109.db2.gz DPKAELJTZKXQCI-OVPLYUBASA-N -1 1 318.124 0.881 20 0 DCADMM C[C@@H](C(=O)OC[C@H]1CCCS1)n1cnc(-c2nn[n-]n2)n1 ZINC001589027475 1166630365 /nfs/dbraw/zinc/63/03/65/1166630365.db2.gz OBKPIEPJQLDHES-JGVFFNPUSA-N -1 1 309.355 0.458 20 0 DCADMM C[C@H](C(=O)OCc1ccnc(F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589033666 1166630713 /nfs/dbraw/zinc/63/07/13/1166630713.db2.gz ZRRMWKPPPSFMGW-SSDOTTSWSA-N -1 1 318.272 0.297 20 0 DCADMM CC(C)(C)CC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(N)=O ZINC001589123258 1166634846 /nfs/dbraw/zinc/63/48/46/1166634846.db2.gz MOTOGXOURBJWIE-MRVPVSSYSA-N -1 1 304.358 0.171 20 0 DCADMM CC(C)(C)C1CN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001589105072 1166635237 /nfs/dbraw/zinc/63/52/37/1166635237.db2.gz OAXOVTNNQOMBOA-UHFFFAOYSA-N -1 1 319.373 0.146 20 0 DCADMM CC(C)(C)OC(=O)CCNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589151819 1166637772 /nfs/dbraw/zinc/63/77/72/1166637772.db2.gz SYFJZXXPOAZWPI-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CC(C)(C)OC(=O)CCNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589151819 1166637774 /nfs/dbraw/zinc/63/77/74/1166637774.db2.gz SYFJZXXPOAZWPI-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CC(C)(C)NC(=O)[C@H]1CCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001589139034 1166638432 /nfs/dbraw/zinc/63/84/32/1166638432.db2.gz ICKJJQPURWEMFY-SNVBAGLBSA-N -1 1 316.369 0.540 20 0 DCADMM CC(C)(C)NC(=O)[C@H]1CCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001589139034 1166638436 /nfs/dbraw/zinc/63/84/36/1166638436.db2.gz ICKJJQPURWEMFY-SNVBAGLBSA-N -1 1 316.369 0.540 20 0 DCADMM CC(C)(CCNc1cccc(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC001589276124 1166641956 /nfs/dbraw/zinc/64/19/56/1166641956.db2.gz RJCMUALEVUMNNT-UHFFFAOYSA-N -1 1 310.383 0.887 20 0 DCADMM CC(C)(CCNc1cccc(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC001589276124 1166641959 /nfs/dbraw/zinc/64/19/59/1166641959.db2.gz RJCMUALEVUMNNT-UHFFFAOYSA-N -1 1 310.383 0.887 20 0 DCADMM CC(C)(O)C1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001589326692 1166646254 /nfs/dbraw/zinc/64/62/54/1166646254.db2.gz DLHKABXIIVGJCD-UHFFFAOYSA-N -1 1 316.365 0.885 20 0 DCADMM CC(C)(O)C1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001589326692 1166646259 /nfs/dbraw/zinc/64/62/59/1166646259.db2.gz DLHKABXIIVGJCD-UHFFFAOYSA-N -1 1 316.365 0.885 20 0 DCADMM CC(C)=CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589364055 1166651513 /nfs/dbraw/zinc/65/15/13/1166651513.db2.gz ZFGDTVCNYNIQKP-SNVBAGLBSA-N -1 1 314.353 0.636 20 0 DCADMM CC(C)=CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589364055 1166651518 /nfs/dbraw/zinc/65/15/18/1166651518.db2.gz ZFGDTVCNYNIQKP-SNVBAGLBSA-N -1 1 314.353 0.636 20 0 DCADMM CC(C)=CC(=O)N(C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589354000 1166652543 /nfs/dbraw/zinc/65/25/43/1166652543.db2.gz AYVGAGJTULBJBN-UHFFFAOYSA-N -1 1 316.369 0.883 20 0 DCADMM CC(C)=CC(=O)N(C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589354000 1166652547 /nfs/dbraw/zinc/65/25/47/1166652547.db2.gz AYVGAGJTULBJBN-UHFFFAOYSA-N -1 1 316.369 0.883 20 0 DCADMM CC(C)[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1nncn1C ZINC001589476825 1166661287 /nfs/dbraw/zinc/66/12/87/1166661287.db2.gz WHSRJZJNFPCITB-JTQLQIEISA-N -1 1 300.330 0.594 20 0 DCADMM CC(C)[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1nncn1C ZINC001589476825 1166661290 /nfs/dbraw/zinc/66/12/90/1166661290.db2.gz WHSRJZJNFPCITB-JTQLQIEISA-N -1 1 300.330 0.594 20 0 DCADMM CC(C)[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1nncn1C ZINC001589476827 1166661414 /nfs/dbraw/zinc/66/14/14/1166661414.db2.gz WHSRJZJNFPCITB-SNVBAGLBSA-N -1 1 300.330 0.594 20 0 DCADMM CC(C)[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1nncn1C ZINC001589476827 1166661415 /nfs/dbraw/zinc/66/14/15/1166661415.db2.gz WHSRJZJNFPCITB-SNVBAGLBSA-N -1 1 300.330 0.594 20 0 DCADMM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCOC1 ZINC001589672886 1166671312 /nfs/dbraw/zinc/67/13/12/1166671312.db2.gz GQYBZJRTVQSOEG-LLVKDONJSA-N -1 1 302.338 0.901 20 0 DCADMM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCOC1 ZINC001589672886 1166671315 /nfs/dbraw/zinc/67/13/15/1166671315.db2.gz GQYBZJRTVQSOEG-LLVKDONJSA-N -1 1 302.338 0.901 20 0 DCADMM CC(C)NC(=O)CN(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589719488 1166677371 /nfs/dbraw/zinc/67/73/71/1166677371.db2.gz CPKYCCPDIBLIML-UHFFFAOYSA-N -1 1 316.369 0.495 20 0 DCADMM CC(C)NC(=O)CN(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589719488 1166677378 /nfs/dbraw/zinc/67/73/78/1166677378.db2.gz CPKYCCPDIBLIML-UHFFFAOYSA-N -1 1 316.369 0.495 20 0 DCADMM CC(C)S(=O)(=O)CC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589759331 1166683837 /nfs/dbraw/zinc/68/38/37/1166683837.db2.gz PBMXFAQOODFMTN-UHFFFAOYSA-N -1 1 314.323 0.326 20 0 DCADMM CC(C)S(=O)(=O)CC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001589759331 1166683838 /nfs/dbraw/zinc/68/38/38/1166683838.db2.gz PBMXFAQOODFMTN-UHFFFAOYSA-N -1 1 314.323 0.326 20 0 DCADMM CC(C)C(=O)NCC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589821113 1166693197 /nfs/dbraw/zinc/69/31/97/1166693197.db2.gz VKEUUKQUDIBBJE-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C(=O)NCC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589821113 1166693201 /nfs/dbraw/zinc/69/32/01/1166693201.db2.gz VKEUUKQUDIBBJE-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ncon1 ZINC001589863590 1166702889 /nfs/dbraw/zinc/70/28/89/1166702889.db2.gz BAXZHVWFDLFPED-ZCFIWIBFSA-N -1 1 305.323 0.845 20 0 DCADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ncon1 ZINC001589863590 1166702895 /nfs/dbraw/zinc/70/28/95/1166702895.db2.gz BAXZHVWFDLFPED-ZCFIWIBFSA-N -1 1 305.323 0.845 20 0 DCADMM C[C@@H](CSCC[NH2+]Cc1cccc(-c2nn[n-]n2)n1)C(=O)[O-] ZINC001589890176 1166711757 /nfs/dbraw/zinc/71/17/57/1166711757.db2.gz VWOTVNRAFYKLOX-VIFPVBQESA-N -1 1 322.394 0.805 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ncon1 ZINC001589925842 1166722253 /nfs/dbraw/zinc/72/22/53/1166722253.db2.gz HEPYTAPGUZQAIS-SSDOTTSWSA-N -1 1 300.282 0.065 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ncon1 ZINC001589925842 1166722260 /nfs/dbraw/zinc/72/22/60/1166722260.db2.gz HEPYTAPGUZQAIS-SSDOTTSWSA-N -1 1 300.282 0.065 20 0 DCADMM C[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1nccc(N)n1 ZINC001589948965 1166728670 /nfs/dbraw/zinc/72/86/70/1166728670.db2.gz SXHIEZFVOCGHDM-ZCFIWIBFSA-N -1 1 316.350 0.791 20 0 DCADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)[C@H](O)C(F)(F)F ZINC001589972561 1166732909 /nfs/dbraw/zinc/73/29/09/1166732909.db2.gz JIBXIWAKOJRXMB-FBCQKBJTSA-N -1 1 308.289 0.725 20 0 DCADMM C[C@@H](O)C[C@@H]1CCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001589996407 1166742728 /nfs/dbraw/zinc/74/27/28/1166742728.db2.gz IKTCBWYKHFOVMM-MNOVXSKESA-N -1 1 304.354 0.221 20 0 DCADMM C[C@H](O)C[C@H](C)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589996040 1166742758 /nfs/dbraw/zinc/74/27/58/1166742758.db2.gz GBWGWOZZLCBLTE-IUCAKERBSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@H](O)C[C@H](C)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589996040 1166742764 /nfs/dbraw/zinc/74/27/64/1166742764.db2.gz GBWGWOZZLCBLTE-IUCAKERBSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCNC1=O ZINC001590071320 1166762736 /nfs/dbraw/zinc/76/27/36/1166762736.db2.gz XLVZIMQTDAPOQK-CYBMUJFWSA-N -1 1 302.294 0.037 20 0 DCADMM CC1(C)[C@@H](O)C[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590077846 1166768448 /nfs/dbraw/zinc/76/84/48/1166768448.db2.gz PXRCSHCREZZRHZ-IUCAKERBSA-N -1 1 303.326 0.543 20 0 DCADMM CC1(C)[C@@H](O)C[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590077846 1166768454 /nfs/dbraw/zinc/76/84/54/1166768454.db2.gz PXRCSHCREZZRHZ-IUCAKERBSA-N -1 1 303.326 0.543 20 0 DCADMM CC1(C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)[C@@H]2COC[C@H]2O1 ZINC001590104417 1166774342 /nfs/dbraw/zinc/77/43/42/1166774342.db2.gz YLLNFVCIELVKEI-MWLCHTKSSA-N -1 1 319.321 0.478 20 0 DCADMM CC1(C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)[C@@H]2COC[C@H]2O1 ZINC001590104417 1166774351 /nfs/dbraw/zinc/77/43/51/1166774351.db2.gz YLLNFVCIELVKEI-MWLCHTKSSA-N -1 1 319.321 0.478 20 0 DCADMM CC1(C)OCC[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590116826 1166778208 /nfs/dbraw/zinc/77/82/08/1166778208.db2.gz DRUUSMWCXQCTKN-SNVBAGLBSA-N -1 1 303.326 0.951 20 0 DCADMM CC1(C)OCC[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590116826 1166778216 /nfs/dbraw/zinc/77/82/16/1166778216.db2.gz DRUUSMWCXQCTKN-SNVBAGLBSA-N -1 1 303.326 0.951 20 0 DCADMM CC1(C)OC[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)O1 ZINC001590115298 1166779570 /nfs/dbraw/zinc/77/95/70/1166779570.db2.gz PENPMCWSUZJGAU-QMMMGPOBSA-N -1 1 304.310 0.143 20 0 DCADMM CC1(C)OC[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)O1 ZINC001590115298 1166779573 /nfs/dbraw/zinc/77/95/73/1166779573.db2.gz PENPMCWSUZJGAU-QMMMGPOBSA-N -1 1 304.310 0.143 20 0 DCADMM CC1(C)OCC(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CO1 ZINC001590114721 1166780126 /nfs/dbraw/zinc/78/01/26/1166780126.db2.gz AZEXOIDVSMBJRF-UHFFFAOYSA-N -1 1 318.337 0.072 20 0 DCADMM CC1(C)OCC(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CO1 ZINC001590114721 1166780128 /nfs/dbraw/zinc/78/01/28/1166780128.db2.gz AZEXOIDVSMBJRF-UHFFFAOYSA-N -1 1 318.337 0.072 20 0 DCADMM C[C@@]1(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCOC1=O ZINC001590145013 1166786812 /nfs/dbraw/zinc/78/68/12/1166786812.db2.gz MGYSBYNTYPJSAS-GFCCVEGCSA-N -1 1 303.282 0.089 20 0 DCADMM C[C@@]1(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCOC1=O ZINC001590145013 1166786821 /nfs/dbraw/zinc/78/68/21/1166786821.db2.gz MGYSBYNTYPJSAS-GFCCVEGCSA-N -1 1 303.282 0.089 20 0 DCADMM C[C@]1(O)CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590151241 1166790189 /nfs/dbraw/zinc/79/01/89/1166790189.db2.gz YFZGLDUIIHWNRM-AWEZNQCLSA-N -1 1 302.338 0.639 20 0 DCADMM C[C@]1(O)CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590151241 1166790197 /nfs/dbraw/zinc/79/01/97/1166790197.db2.gz YFZGLDUIIHWNRM-AWEZNQCLSA-N -1 1 302.338 0.639 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)[C@H](C)O1 ZINC001590193319 1166806515 /nfs/dbraw/zinc/80/65/15/1166806515.db2.gz JSQIUKUEOKXSFB-JFGNBEQYSA-N -1 1 316.365 0.734 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)[C@H](C)O1 ZINC001590193319 1166806519 /nfs/dbraw/zinc/80/65/19/1166806519.db2.gz JSQIUKUEOKXSFB-JFGNBEQYSA-N -1 1 316.365 0.734 20 0 DCADMM C[C@@H]1CC(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001590205491 1166811319 /nfs/dbraw/zinc/81/13/19/1166811319.db2.gz ATIQMEJSSPEBBD-RNFRBKRXSA-N -1 1 321.341 0.034 20 0 DCADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)O1 ZINC001590207171 1166812681 /nfs/dbraw/zinc/81/26/81/1166812681.db2.gz PTJPQVGLGJJMQU-SOCHQFKDSA-N -1 1 324.366 0.106 20 0 DCADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)O1 ZINC001590207171 1166812689 /nfs/dbraw/zinc/81/26/89/1166812689.db2.gz PTJPQVGLGJJMQU-SOCHQFKDSA-N -1 1 324.366 0.106 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590214818 1166815381 /nfs/dbraw/zinc/81/53/81/1166815381.db2.gz DEXLCROILVEIEC-AXTSPUMRSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590214818 1166815388 /nfs/dbraw/zinc/81/53/88/1166815388.db2.gz DEXLCROILVEIEC-AXTSPUMRSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@@H]1CC[C@@H](C(=O)NCCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590222320 1166818100 /nfs/dbraw/zinc/81/81/00/1166818100.db2.gz GFJKUVSREGCZKH-NXEZZACHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H]1CC[C@@H](C(=O)NCCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590222320 1166818107 /nfs/dbraw/zinc/81/81/07/1166818107.db2.gz GFJKUVSREGCZKH-NXEZZACHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H]1CCC[C@H]1NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590246112 1166826008 /nfs/dbraw/zinc/82/60/08/1166826008.db2.gz BNYFLLOGVDBUGG-DTWKUNHWSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@H]1CCC[C@@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590242341 1166827547 /nfs/dbraw/zinc/82/75/47/1166827547.db2.gz KIZAADJKHOXYNH-VHSXEESVSA-N -1 1 304.358 0.495 20 0 DCADMM C[C@@H]1CCCCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590258643 1166829628 /nfs/dbraw/zinc/82/96/28/1166829628.db2.gz GOICFEKBVAFQPV-SECBINFHSA-N -1 1 305.346 0.042 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@@H]1CO ZINC001590267047 1166831665 /nfs/dbraw/zinc/83/16/65/1166831665.db2.gz ISKCTWMLNUQCFZ-VHSXEESVSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@@H]1CO ZINC001590267047 1166831671 /nfs/dbraw/zinc/83/16/71/1166831671.db2.gz ISKCTWMLNUQCFZ-VHSXEESVSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC[C@H]1O ZINC001590291265 1166842592 /nfs/dbraw/zinc/84/25/92/1166842592.db2.gz BNCKKUZXYOLADP-BXKDBHETSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC[C@H]1O ZINC001590291265 1166842598 /nfs/dbraw/zinc/84/25/98/1166842598.db2.gz BNCKKUZXYOLADP-BXKDBHETSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1CN(CCO)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590309730 1166854705 /nfs/dbraw/zinc/85/47/05/1166854705.db2.gz SZVBZRFEIXIMLI-VIFPVBQESA-N -1 1 322.394 0.067 20 0 DCADMM C[C@H]1CS(=O)(=O)CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001590329921 1166868893 /nfs/dbraw/zinc/86/88/93/1166868893.db2.gz TVRJLQRBQVYNQF-VIFPVBQESA-N -1 1 308.367 0.275 20 0 DCADMM C[C@H]1CS(=O)(=O)CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001590329921 1166868898 /nfs/dbraw/zinc/86/88/98/1166868898.db2.gz TVRJLQRBQVYNQF-VIFPVBQESA-N -1 1 308.367 0.275 20 0 DCADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590333918 1166871321 /nfs/dbraw/zinc/87/13/21/1166871321.db2.gz HRFINHHADCYKTN-UVMAFCGOSA-N -1 1 322.394 0.999 20 0 DCADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590333918 1166871326 /nfs/dbraw/zinc/87/13/26/1166871326.db2.gz HRFINHHADCYKTN-UVMAFCGOSA-N -1 1 322.394 0.999 20 0 DCADMM C[C@@H](C(=O)N1CCS[C@@H](C)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590339337 1166876923 /nfs/dbraw/zinc/87/69/23/1166876923.db2.gz XKZXBHNGBCLZFI-CIUDSAMLSA-N -1 1 322.398 0.372 20 0 DCADMM C/C=C(/C)C(=O)NCC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590347358 1166880131 /nfs/dbraw/zinc/88/01/31/1166880131.db2.gz PCYAPKQFZIQCEN-ZUYFITGHSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(/C)C(=O)NCC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590347358 1166880136 /nfs/dbraw/zinc/88/01/36/1166880136.db2.gz PCYAPKQFZIQCEN-ZUYFITGHSA-N -1 1 316.369 0.930 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001590360750 1166884291 /nfs/dbraw/zinc/88/42/91/1166884291.db2.gz JEKGQZFVUJSIQO-DTWKUNHWSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001590360750 1166884303 /nfs/dbraw/zinc/88/43/03/1166884303.db2.gz JEKGQZFVUJSIQO-DTWKUNHWSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)NCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590366537 1166888710 /nfs/dbraw/zinc/88/87/10/1166888710.db2.gz VUYFFPADIDMUAF-UHFFFAOYSA-N -1 1 301.763 0.915 20 0 DCADMM CCC(=O)NCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590366537 1166888719 /nfs/dbraw/zinc/88/87/19/1166888719.db2.gz VUYFFPADIDMUAF-UHFFFAOYSA-N -1 1 301.763 0.915 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001590366057 1166890271 /nfs/dbraw/zinc/89/02/71/1166890271.db2.gz VBWXHTHLTZQDRA-BDAKNGLRSA-N -1 1 302.342 0.150 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590366057 1166890276 /nfs/dbraw/zinc/89/02/76/1166890276.db2.gz VBWXHTHLTZQDRA-BDAKNGLRSA-N -1 1 302.342 0.150 20 0 DCADMM CC[C@@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C(=O)OC ZINC001590368823 1166892663 /nfs/dbraw/zinc/89/26/63/1166892663.db2.gz JZYIRSNMROEPNW-ZETCQYMHSA-N -1 1 319.325 0.605 20 0 DCADMM CC[C@@](C)(CC(=O)OC)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590380012 1166894816 /nfs/dbraw/zinc/89/48/16/1166894816.db2.gz LSXFMRGRQZYELE-AWEZNQCLSA-N -1 1 318.337 0.723 20 0 DCADMM CC[C@@](C)(CC(=O)OC)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590380012 1166894821 /nfs/dbraw/zinc/89/48/21/1166894821.db2.gz LSXFMRGRQZYELE-AWEZNQCLSA-N -1 1 318.337 0.723 20 0 DCADMM CC[C@@]1(C)CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CCO1 ZINC001590491042 1166922779 /nfs/dbraw/zinc/92/27/79/1166922779.db2.gz YJSRYIUAZWMVLW-AWEZNQCLSA-N -1 1 320.353 0.733 20 0 DCADMM CC[C@@]1(C)CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CCO1 ZINC001590491042 1166922783 /nfs/dbraw/zinc/92/27/83/1166922783.db2.gz YJSRYIUAZWMVLW-AWEZNQCLSA-N -1 1 320.353 0.733 20 0 DCADMM CCC1(CC)CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590494617 1166924144 /nfs/dbraw/zinc/92/41/44/1166924144.db2.gz RUIKHKIPYPOMGU-UHFFFAOYSA-N -1 1 304.358 0.639 20 0 DCADMM CC[C@@]1(O)CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590499315 1166924760 /nfs/dbraw/zinc/92/47/60/1166924760.db2.gz DQSWZAHTCKWTSS-GFCCVEGCSA-N -1 1 323.382 0.380 20 0 DCADMM CC[C@@]1(O)CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590499315 1166924764 /nfs/dbraw/zinc/92/47/64/1166924764.db2.gz DQSWZAHTCKWTSS-GFCCVEGCSA-N -1 1 323.382 0.380 20 0 DCADMM CC[C@@H]1CN(C(=O)Nc2snc(C)c2-c2nnn[n-]2)C[C@H]1O ZINC001590518825 1166931069 /nfs/dbraw/zinc/93/10/69/1166931069.db2.gz OIAJRMGMTXHGNX-HTQZYQBOSA-N -1 1 323.382 0.866 20 0 DCADMM CC[C@@H]1CN(C(=O)Nc2snc(C)c2-c2nn[n-]n2)C[C@H]1O ZINC001590518825 1166931074 /nfs/dbraw/zinc/93/10/74/1166931074.db2.gz OIAJRMGMTXHGNX-HTQZYQBOSA-N -1 1 323.382 0.866 20 0 DCADMM CC[C@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001590513189 1166931928 /nfs/dbraw/zinc/93/19/28/1166931928.db2.gz OVAQYJKQGHOVOZ-QMMMGPOBSA-N -1 1 305.342 0.023 20 0 DCADMM CC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H](C)[S@]1=O ZINC001590524374 1166933024 /nfs/dbraw/zinc/93/30/24/1166933024.db2.gz QIKPBCXHOFXKRE-VRNWYBPDSA-N -1 1 307.383 0.393 20 0 DCADMM CC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H](C)[S@]1=O ZINC001590524374 1166933030 /nfs/dbraw/zinc/93/30/30/1166933030.db2.gz QIKPBCXHOFXKRE-VRNWYBPDSA-N -1 1 307.383 0.393 20 0 DCADMM CCCC(=O)NCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001590538099 1166939535 /nfs/dbraw/zinc/93/95/35/1166939535.db2.gz WRVGSAQUASPOON-UHFFFAOYSA-N -1 1 309.399 0.984 20 0 DCADMM CCCCC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(=O)OC ZINC001590590509 1166946184 /nfs/dbraw/zinc/94/61/84/1166946184.db2.gz PWHLUHAXNZUWHY-SECBINFHSA-N -1 1 305.342 0.612 20 0 DCADMM CCCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001590581323 1166946369 /nfs/dbraw/zinc/94/63/69/1166946369.db2.gz DJUBMCWTXXFQOB-NSHDSACASA-N -1 1 318.337 0.723 20 0 DCADMM CCCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC001590581323 1166946373 /nfs/dbraw/zinc/94/63/73/1166946373.db2.gz 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/nfs/dbraw/zinc/96/14/42/1166961442.db2.gz QSVGVYTTXZYJNM-UHFFFAOYSA-N -1 1 315.341 0.767 20 0 DCADMM CCCn1cc(CNc2cc(-c3nnn[n-]3)nc(C)n2)nn1 ZINC001590664359 1166963726 /nfs/dbraw/zinc/96/37/26/1166963726.db2.gz XHLHFOFZGQYJTF-UHFFFAOYSA-N -1 1 300.330 0.579 20 0 DCADMM CCCn1cc(CNc2cc(-c3nn[n-]n3)nc(C)n2)nn1 ZINC001590664359 1166963733 /nfs/dbraw/zinc/96/37/33/1166963733.db2.gz XHLHFOFZGQYJTF-UHFFFAOYSA-N -1 1 300.330 0.579 20 0 DCADMM CCN(CCOCCO)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590715541 1166980935 /nfs/dbraw/zinc/98/09/35/1166980935.db2.gz HYZHTBNQFSMEHU-UHFFFAOYSA-N -1 1 318.790 0.812 20 0 DCADMM CCN(CCOCCO)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590715541 1166980937 /nfs/dbraw/zinc/98/09/37/1166980937.db2.gz HYZHTBNQFSMEHU-UHFFFAOYSA-N -1 1 318.790 0.812 20 0 DCADMM CCN1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1=O ZINC001590735220 1166993448 /nfs/dbraw/zinc/99/34/48/1166993448.db2.gz PIZXFHJOWFQMER-UHFFFAOYSA-N -1 1 307.383 0.690 20 0 DCADMM CCNC(=O)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590738079 1166997475 /nfs/dbraw/zinc/99/74/75/1166997475.db2.gz SIKQBCJYPOFQQL-SCSAIBSYSA-N -1 1 301.763 0.913 20 0 DCADMM CCNC(=O)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590738079 1166997481 /nfs/dbraw/zinc/99/74/81/1166997481.db2.gz SIKQBCJYPOFQQL-SCSAIBSYSA-N -1 1 301.763 0.913 20 0 DCADMM CCOC(=O)[C@@H](C)C1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590753237 1167007157 /nfs/dbraw/zinc/00/71/57/1167007157.db2.gz ZOUCUYHJGLNJRK-QMMMGPOBSA-N -1 1 319.321 0.731 20 0 DCADMM CCOC(=O)[C@@H](C)C1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590753237 1167007160 /nfs/dbraw/zinc/00/71/60/1167007160.db2.gz ZOUCUYHJGLNJRK-QMMMGPOBSA-N -1 1 319.321 0.731 20 0 DCADMM CCOC(=O)[C@H]1CCCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590771366 1167016354 /nfs/dbraw/zinc/01/63/54/1167016354.db2.gz HYAZSOJFVMMKTN-SNVBAGLBSA-N -1 1 303.326 0.497 20 0 DCADMM CCOC(=O)[C@H]1CCCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590771366 1167016363 /nfs/dbraw/zinc/01/63/63/1167016363.db2.gz HYAZSOJFVMMKTN-SNVBAGLBSA-N -1 1 303.326 0.497 20 0 DCADMM CCOC(=O)c1cnn(CCc2ccnn2C)c1-c1nn[n-]n1 ZINC001590775632 1167016708 /nfs/dbraw/zinc/01/67/08/1167016708.db2.gz QCDOJPQKKBDVJE-UHFFFAOYSA-N -1 1 316.325 0.216 20 0 DCADMM CCOC(=O)c1cnn(C[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001590775940 1167016964 /nfs/dbraw/zinc/01/69/64/1167016964.db2.gz YLMSYSSBVKIVDS-VIFPVBQESA-N -1 1 306.326 0.667 20 0 DCADMM CCO[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)[C@]12CCCO2 ZINC001590793217 1167021996 /nfs/dbraw/zinc/02/19/96/1167021996.db2.gz YWKYHUVKCUOHGM-IMSIIYSGSA-N -1 1 317.353 0.795 20 0 DCADMM CCO[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)[C@]12CCCO2 ZINC001590793217 1167022000 /nfs/dbraw/zinc/02/20/00/1167022000.db2.gz YWKYHUVKCUOHGM-IMSIIYSGSA-N -1 1 317.353 0.795 20 0 DCADMM CCOC[C@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)CCO1 ZINC001590801451 1167024071 /nfs/dbraw/zinc/02/40/71/1167024071.db2.gz MOBRODREAYVXDH-LLVKDONJSA-N -1 1 304.354 0.812 20 0 DCADMM CCOC[C@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)CCO1 ZINC001590801451 1167024073 /nfs/dbraw/zinc/02/40/73/1167024073.db2.gz 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/nfs/dbraw/zinc/03/04/29/1167030429.db2.gz SVCPHPCSLKTOMB-UHFFFAOYSA-N -1 1 301.303 0.578 20 0 DCADMM CCO[C@@]1(C)C[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590821194 1167032749 /nfs/dbraw/zinc/03/27/49/1167032749.db2.gz FBTQPMRZGNSESH-PELKAZGASA-N -1 1 306.330 0.289 20 0 DCADMM CCO[C@@]1(C)C[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590821194 1167032758 /nfs/dbraw/zinc/03/27/58/1167032758.db2.gz FBTQPMRZGNSESH-PELKAZGASA-N -1 1 306.330 0.289 20 0 DCADMM CCc1cc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)n(C)n1 ZINC001590881984 1167042353 /nfs/dbraw/zinc/04/23/53/1167042353.db2.gz RFNXURCAIIHEKN-UHFFFAOYSA-N -1 1 301.314 0.067 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(-n2cnc(CCCO)c2)n1 ZINC001590903202 1167043881 /nfs/dbraw/zinc/04/38/81/1167043881.db2.gz OCQUPLXZYGFSQW-UHFFFAOYSA-N -1 1 300.326 0.330 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(-n2cnc(CCCO)c2)n1 ZINC001590903202 1167043884 /nfs/dbraw/zinc/04/38/84/1167043884.db2.gz OCQUPLXZYGFSQW-UHFFFAOYSA-N -1 1 300.326 0.330 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCO[C@@H]3CCC[C@@H]32)n1 ZINC001590908454 1167047954 /nfs/dbraw/zinc/04/79/54/1167047954.db2.gz QUSVIODNQFVKQG-WDEREUQCSA-N -1 1 301.354 0.977 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCO[C@@H]3CCC[C@@H]32)n1 ZINC001590908454 1167047960 /nfs/dbraw/zinc/04/79/60/1167047960.db2.gz QUSVIODNQFVKQG-WDEREUQCSA-N -1 1 301.354 0.977 20 0 DCADMM CCc1nc(N[C@@H](C)[C@@H](CO)SC)cc(-c2nnn[n-]2)n1 ZINC001590915120 1167048851 /nfs/dbraw/zinc/04/88/51/1167048851.db2.gz OFLVQDSUTBUUBV-IONNQARKSA-N -1 1 309.399 0.743 20 0 DCADMM CCc1nc(N[C@@H](C)[C@@H](CO)SC)cc(-c2nn[n-]n2)n1 ZINC001590915120 1167048858 /nfs/dbraw/zinc/04/88/58/1167048858.db2.gz OFLVQDSUTBUUBV-IONNQARKSA-N -1 1 309.399 0.743 20 0 DCADMM CCc1nc(NCc2nnc(C)n2C)cc(-c2nnn[n-]2)n1 ZINC001590922511 1167051295 /nfs/dbraw/zinc/05/12/95/1167051295.db2.gz CCUQZZACNRIYAK-UHFFFAOYSA-N -1 1 300.330 0.268 20 0 DCADMM CCc1nc(NCc2nnc(C)n2C)cc(-c2nn[n-]n2)n1 ZINC001590922511 1167051300 /nfs/dbraw/zinc/05/13/00/1167051300.db2.gz 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/nfs/dbraw/zinc/05/24/62/1167052462.db2.gz BJWPTKOQLJWMPN-UHFFFAOYSA-N -1 1 305.342 0.974 20 0 DCADMM CCc1nc(NCCN2CCCC2=O)cc(-c2nnn[n-]2)n1 ZINC001590920285 1167052690 /nfs/dbraw/zinc/05/26/90/1167052690.db2.gz HWJAYFREDAZXMV-UHFFFAOYSA-N -1 1 302.342 0.253 20 0 DCADMM CCc1nc(NCCN2CCCC2=O)cc(-c2nn[n-]n2)n1 ZINC001590920285 1167052696 /nfs/dbraw/zinc/05/26/96/1167052696.db2.gz HWJAYFREDAZXMV-UHFFFAOYSA-N -1 1 302.342 0.253 20 0 DCADMM CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1CCCC1 ZINC001590943537 1167056544 /nfs/dbraw/zinc/05/65/44/1167056544.db2.gz HLGSQGOROZTLIN-UHFFFAOYSA-N -1 1 312.341 0.535 20 0 DCADMM CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1CCCC1 ZINC001590943537 1167056546 /nfs/dbraw/zinc/05/65/46/1167056546.db2.gz HLGSQGOROZTLIN-UHFFFAOYSA-N -1 1 312.341 0.535 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](C)CC(C)C)c1=O ZINC001590949189 1167057329 /nfs/dbraw/zinc/05/73/29/1167057329.db2.gz BHTGIHKYIARSPB-SNVBAGLBSA-N -1 1 306.370 0.892 20 0 DCADMM CCn1ncc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1C1CC1 ZINC001590967011 1167061975 /nfs/dbraw/zinc/06/19/75/1167061975.db2.gz IPICUQLZVQUFPI-UHFFFAOYSA-N -1 1 313.325 0.936 20 0 DCADMM CCn1ncc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1C1CC1 ZINC001590967011 1167061979 /nfs/dbraw/zinc/06/19/79/1167061979.db2.gz IPICUQLZVQUFPI-UHFFFAOYSA-N -1 1 313.325 0.936 20 0 DCADMM CN(C)C(=O)C1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC001590999740 1167069540 /nfs/dbraw/zinc/06/95/40/1167069540.db2.gz NIDCOHXTVLVCRY-UHFFFAOYSA-N -1 1 316.321 0.379 20 0 DCADMM CN(C)C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591003211 1167070971 /nfs/dbraw/zinc/07/09/71/1167070971.db2.gz MVWUNIXEYMUCDI-LLVKDONJSA-N -1 1 316.369 0.454 20 0 DCADMM CN(C)C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591003211 1167070972 /nfs/dbraw/zinc/07/09/72/1167070972.db2.gz MVWUNIXEYMUCDI-LLVKDONJSA-N -1 1 316.369 0.454 20 0 DCADMM CN(C[C@@H](O)C1CC1)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591044889 1167093622 /nfs/dbraw/zinc/09/36/22/1167093622.db2.gz ZVBRMLSCNLYVGN-LLVKDONJSA-N -1 1 301.354 0.741 20 0 DCADMM CN(C[C@@H](O)C1CC1)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591044889 1167093626 /nfs/dbraw/zinc/09/36/26/1167093626.db2.gz ZVBRMLSCNLYVGN-LLVKDONJSA-N -1 1 301.354 0.741 20 0 DCADMM CN(C[C@H]1COCCO1)c1snc(Cl)c1-c1nnn[n-]1 ZINC001591064505 1167098211 /nfs/dbraw/zinc/09/82/11/1167098211.db2.gz RUXYHLAHISAYOQ-LURJTMIESA-N -1 1 316.774 0.828 20 0 DCADMM CN(C[C@H]1COCCO1)c1snc(Cl)c1-c1nn[n-]n1 ZINC001591064505 1167098217 /nfs/dbraw/zinc/09/82/17/1167098217.db2.gz RUXYHLAHISAYOQ-LURJTMIESA-N -1 1 316.774 0.828 20 0 DCADMM C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)CC(=O)NC1CC1 ZINC001591116421 1167106267 /nfs/dbraw/zinc/10/62/67/1167106267.db2.gz QWXLHFGKWKAMBN-UHFFFAOYSA-N -1 1 316.365 0.456 20 0 DCADMM CN1CCC[C@H](OC(=O)c2ccsc2-c2nnn[n-]2)C1=O ZINC001591184360 1167134944 /nfs/dbraw/zinc/13/49/44/1167134944.db2.gz NCNDYHVZXWRSCG-QMMMGPOBSA-N -1 1 307.335 0.706 20 0 DCADMM CN1CCC[C@H](OC(=O)c2ccsc2-c2nn[n-]n2)C1=O ZINC001591184360 1167134951 /nfs/dbraw/zinc/13/49/51/1167134951.db2.gz NCNDYHVZXWRSCG-QMMMGPOBSA-N -1 1 307.335 0.706 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591201266 1167148760 /nfs/dbraw/zinc/14/87/60/1167148760.db2.gz CRAMSJHMYUQARP-BDAKNGLRSA-N -1 1 320.378 0.573 20 0 DCADMM CNC(=O)[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001591200043 1167148775 /nfs/dbraw/zinc/14/87/75/1167148775.db2.gz BPKUYQJFCUPMOB-CYBMUJFWSA-N -1 1 304.310 0.058 20 0 DCADMM CNC(=O)[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591200043 1167148777 /nfs/dbraw/zinc/14/87/77/1167148777.db2.gz BPKUYQJFCUPMOB-CYBMUJFWSA-N -1 1 304.310 0.058 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591203798 1167152574 /nfs/dbraw/zinc/15/25/74/1167152574.db2.gz KULODYDIZCOMPK-RKDXNWHRSA-N -1 1 302.342 0.292 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591203798 1167152576 /nfs/dbraw/zinc/15/25/76/1167152576.db2.gz KULODYDIZCOMPK-RKDXNWHRSA-N -1 1 302.342 0.292 20 0 DCADMM COC(=O)C[C@H]1COCCN1Cc1cccc(-c2nnn[n-]2)n1 ZINC001591262441 1167186402 /nfs/dbraw/zinc/18/64/02/1167186402.db2.gz LCGKUENAJMRZHW-NSHDSACASA-N -1 1 318.337 0.026 20 0 DCADMM COC(=O)C[C@H]1COCCN1Cc1cccc(-c2nn[n-]n2)n1 ZINC001591262441 1167186405 /nfs/dbraw/zinc/18/64/05/1167186405.db2.gz LCGKUENAJMRZHW-NSHDSACASA-N -1 1 318.337 0.026 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2cccnc2)c1 ZINC001591286189 1167199868 /nfs/dbraw/zinc/19/98/68/1167199868.db2.gz ZONOVCBNWRLECF-UHFFFAOYSA-N -1 1 312.289 0.258 20 0 DCADMM COC(=O)[C@H]1CCCN(c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001591283186 1167201519 /nfs/dbraw/zinc/20/15/19/1167201519.db2.gz ZLBWCCNEIXHANM-JTQLQIEISA-N -1 1 302.338 0.960 20 0 DCADMM COC(=O)[C@H]1CCCN(c2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001591283186 1167201526 /nfs/dbraw/zinc/20/15/26/1167201526.db2.gz ZLBWCCNEIXHANM-JTQLQIEISA-N -1 1 302.338 0.960 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC2(OC)CCC2)c1 ZINC001591286651 1167201813 /nfs/dbraw/zinc/20/18/13/1167201813.db2.gz OENIYJKQOXQGQS-UHFFFAOYSA-N -1 1 319.321 0.384 20 0 DCADMM COC(=O)c1ccc(N2CCO[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001591294545 1167204439 /nfs/dbraw/zinc/20/44/39/1167204439.db2.gz JITZMUBDZKFBED-MRVPVSSYSA-N -1 1 304.310 0.273 20 0 DCADMM COC(=O)c1ccc(N2CCO[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001591294545 1167204442 /nfs/dbraw/zinc/20/44/42/1167204442.db2.gz JITZMUBDZKFBED-MRVPVSSYSA-N -1 1 304.310 0.273 20 0 DCADMM COC(=O)c1cccc(Cn2c(C)c(C)nc2-c2nnn[n-]2)n1 ZINC001591302217 1167206800 /nfs/dbraw/zinc/20/68/00/1167206800.db2.gz GBNILSQULDKHSC-UHFFFAOYSA-N -1 1 313.321 0.910 20 0 DCADMM COC(=O)c1cccc(Cn2c(C)c(C)nc2-c2nn[n-]n2)n1 ZINC001591302217 1167206807 /nfs/dbraw/zinc/20/68/07/1167206807.db2.gz GBNILSQULDKHSC-UHFFFAOYSA-N -1 1 313.321 0.910 20 0 DCADMM CO[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCOC1 ZINC001591313929 1167208683 /nfs/dbraw/zinc/20/86/83/1167208683.db2.gz GRMGRRHNAZJUPN-CMPLNLGQSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCOC1 ZINC001591313929 1167208691 /nfs/dbraw/zinc/20/86/91/1167208691.db2.gz GRMGRRHNAZJUPN-CMPLNLGQSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@]1(C(F)(F)F)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001591338254 1167224058 /nfs/dbraw/zinc/22/40/58/1167224058.db2.gz NYRYPMBIUSLMMW-SNVBAGLBSA-N -1 1 315.259 0.814 20 0 DCADMM CO[C@]1(C(F)(F)F)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001591338254 1167224060 /nfs/dbraw/zinc/22/40/60/1167224060.db2.gz NYRYPMBIUSLMMW-SNVBAGLBSA-N -1 1 315.259 0.814 20 0 DCADMM CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001591354936 1167231519 /nfs/dbraw/zinc/23/15/19/1167231519.db2.gz MBQUUKFQDAQAPY-FOGDFJRCSA-N -1 1 319.369 0.635 20 0 DCADMM CO[C@@H]1CCC[C@@H]([C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001591354936 1167231528 /nfs/dbraw/zinc/23/15/28/1167231528.db2.gz MBQUUKFQDAQAPY-FOGDFJRCSA-N -1 1 319.369 0.635 20 0 DCADMM CO[C@@H]1CCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001591354724 1167232186 /nfs/dbraw/zinc/23/21/86/1167232186.db2.gz QSRMRSCVAOFFKH-MRVPVSSYSA-N -1 1 323.382 0.644 20 0 DCADMM CO[C@@H]1CCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001591354724 1167232191 /nfs/dbraw/zinc/23/21/91/1167232191.db2.gz QSRMRSCVAOFFKH-MRVPVSSYSA-N -1 1 323.382 0.644 20 0 DCADMM CO[C@H]1COCC[C@@H]1N(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591361345 1167235446 /nfs/dbraw/zinc/23/54/46/1167235446.db2.gz LPZZROCNXDUUBO-UWVGGRQHSA-N -1 1 323.378 0.804 20 0 DCADMM CO[C@H]1COCC[C@@H]1N(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591361345 1167235455 /nfs/dbraw/zinc/23/54/55/1167235455.db2.gz LPZZROCNXDUUBO-UWVGGRQHSA-N -1 1 323.378 0.804 20 0 DCADMM COC[C@H](CCNC(=O)c1ccsc1-c1nnn[n-]1)OC ZINC001591375494 1167247638 /nfs/dbraw/zinc/24/76/38/1167247638.db2.gz FWPGCWSADSYLNV-QMMMGPOBSA-N -1 1 311.367 0.710 20 0 DCADMM COC[C@H](CCNC(=O)c1ccsc1-c1nn[n-]n1)OC ZINC001591375494 1167247642 /nfs/dbraw/zinc/24/76/42/1167247642.db2.gz FWPGCWSADSYLNV-QMMMGPOBSA-N -1 1 311.367 0.710 20 0 DCADMM COCC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001591399831 1167268946 /nfs/dbraw/zinc/26/89/46/1167268946.db2.gz YFCDIGOORCAGMN-YFKPBYRVSA-N -1 1 304.763 0.786 20 0 DCADMM COCC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001591399831 1167268951 /nfs/dbraw/zinc/26/89/51/1167268951.db2.gz YFCDIGOORCAGMN-YFKPBYRVSA-N -1 1 304.763 0.786 20 0 DCADMM COCC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591404102 1167272550 /nfs/dbraw/zinc/27/25/50/1167272550.db2.gz WTNHJLHHZUURBL-SECBINFHSA-N -1 1 323.378 0.806 20 0 DCADMM COCC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591404102 1167272558 /nfs/dbraw/zinc/27/25/58/1167272558.db2.gz WTNHJLHHZUURBL-SECBINFHSA-N -1 1 323.378 0.806 20 0 DCADMM COCCCN(C)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1C ZINC001591414392 1167273959 /nfs/dbraw/zinc/27/39/59/1167273959.db2.gz OAOCDHYQHJCYGT-UHFFFAOYSA-N -1 1 318.341 0.728 20 0 DCADMM COCCCN(C)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1C ZINC001591414392 1167273963 /nfs/dbraw/zinc/27/39/63/1167273963.db2.gz OAOCDHYQHJCYGT-UHFFFAOYSA-N -1 1 318.341 0.728 20 0 DCADMM COCCN(CC(F)F)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591421872 1167277395 /nfs/dbraw/zinc/27/73/95/1167277395.db2.gz YVIJMJLLKAMFCE-UHFFFAOYSA-N -1 1 301.253 0.813 20 0 DCADMM COCCN(CC(F)F)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591421872 1167277402 /nfs/dbraw/zinc/27/74/02/1167277402.db2.gz YVIJMJLLKAMFCE-UHFFFAOYSA-N -1 1 301.253 0.813 20 0 DCADMM COCCOCCOCCn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001591439429 1167289932 /nfs/dbraw/zinc/28/99/32/1167289932.db2.gz FSDCQTVIRPXCJF-UHFFFAOYSA-N -1 1 323.353 0.016 20 0 DCADMM COC[C@H](O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001591452826 1167292146 /nfs/dbraw/zinc/29/21/46/1167292146.db2.gz AFISFBWQHVLWTH-SSDOTTSWSA-N -1 1 318.259 0.700 20 0 DCADMM COC[C@H](O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001591452826 1167292152 /nfs/dbraw/zinc/29/21/52/1167292152.db2.gz AFISFBWQHVLWTH-SSDOTTSWSA-N -1 1 318.259 0.700 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1cn(C(C)C)nn1 ZINC001591475168 1167307824 /nfs/dbraw/zinc/30/78/24/1167307824.db2.gz SJZARQGCXNZJNQ-UHFFFAOYSA-N -1 1 316.325 0.258 20 0 DCADMM COc1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001591651143 1167341135 /nfs/dbraw/zinc/34/11/35/1167341135.db2.gz VFNVHNTYVHVUPR-UHFFFAOYSA-N -1 1 300.282 0.106 20 0 DCADMM COc1cncnc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591658725 1167342860 /nfs/dbraw/zinc/34/28/60/1167342860.db2.gz DOYPTMIMLBNGGZ-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1cncnc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591658725 1167342866 /nfs/dbraw/zinc/34/28/66/1167342866.db2.gz DOYPTMIMLBNGGZ-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1cncc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001591658733 1167344419 /nfs/dbraw/zinc/34/44/19/1167344419.db2.gz FBYGFKZTWPJJBX-SSDOTTSWSA-N -1 1 315.297 0.062 20 0 DCADMM COc1ncc(NC(=O)NCC(F)(F)F)cc1-c1nn[n-]n1 ZINC001591664876 1167346423 /nfs/dbraw/zinc/34/64/23/1167346423.db2.gz SFAOAPGCBNXWDO-UHFFFAOYSA-N -1 1 317.231 0.954 20 0 DCADMM CSC1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC001591693707 1167355151 /nfs/dbraw/zinc/35/51/51/1167355151.db2.gz QEFWJUJLIHWTGE-UHFFFAOYSA-N -1 1 322.398 0.960 20 0 DCADMM CSC1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC001591693707 1167355156 /nfs/dbraw/zinc/35/51/56/1167355156.db2.gz QEFWJUJLIHWTGE-UHFFFAOYSA-N -1 1 322.398 0.960 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)nn1C ZINC001591798033 1167383123 /nfs/dbraw/zinc/38/31/23/1167383123.db2.gz DMGBEQITOKHVAI-CBAPKCEASA-N -1 1 317.353 0.852 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)nn1C ZINC001591798033 1167383126 /nfs/dbraw/zinc/38/31/26/1167383126.db2.gz DMGBEQITOKHVAI-CBAPKCEASA-N -1 1 317.353 0.852 20 0 DCADMM Cc1c(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cnn1C ZINC001591815753 1167386574 /nfs/dbraw/zinc/38/65/74/1167386574.db2.gz CRFKHDOUHUHIBT-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1c(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cnn1C ZINC001591815753 1167386579 /nfs/dbraw/zinc/38/65/79/1167386579.db2.gz CRFKHDOUHUHIBT-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CSC[C@H]1C ZINC001591836000 1167389870 /nfs/dbraw/zinc/38/98/70/1167389870.db2.gz SDBKJQGYWOWTNX-VXNVDRBHSA-N -1 1 320.378 0.757 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NC2CCCCC2)c1 ZINC001591836453 1167390050 /nfs/dbraw/zinc/39/00/50/1167390050.db2.gz UVGISRMDJJQZEQ-UHFFFAOYSA-N -1 1 316.365 0.786 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@]1(C)CCOC1 ZINC001591834910 1167390173 /nfs/dbraw/zinc/39/01/73/1167390173.db2.gz XCYJEOPNIVOBSJ-CYBMUJFWSA-N -1 1 304.310 0.185 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NOC1CCOCC1 ZINC001591835697 1167391444 /nfs/dbraw/zinc/39/14/44/1167391444.db2.gz QAYDYRTXIIXKDC-UHFFFAOYSA-N -1 1 320.309 0.116 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(CCO)C2CCOCC2)c1 ZINC001591884109 1167408582 /nfs/dbraw/zinc/40/85/82/1167408582.db2.gz QMPOFPDAKYMDIT-UHFFFAOYSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(CCO)C2CCOCC2)c1 ZINC001591884109 1167408588 /nfs/dbraw/zinc/40/85/88/1167408588.db2.gz QMPOFPDAKYMDIT-UHFFFAOYSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCNC(=O)[C@H]2CC(C)C)n1 ZINC001591887736 1167411217 /nfs/dbraw/zinc/41/12/17/1167411217.db2.gz GCEPEBZNAAEOLO-LLVKDONJSA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCNC(=O)[C@H]2CC(C)C)n1 ZINC001591887736 1167411219 /nfs/dbraw/zinc/41/12/19/1167411219.db2.gz GCEPEBZNAAEOLO-LLVKDONJSA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C)S(=O)(=O)CC2)c1 ZINC001591885003 1167411716 /nfs/dbraw/zinc/41/17/16/1167411716.db2.gz JQIDXNREMHIUBZ-JTQLQIEISA-N -1 1 322.394 0.584 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C)S(=O)(=O)CC2)c1 ZINC001591885003 1167411718 /nfs/dbraw/zinc/41/17/18/1167411718.db2.gz JQIDXNREMHIUBZ-JTQLQIEISA-N -1 1 322.394 0.584 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC/C=C\CNC(=O)C(C)C)n1 ZINC001591896662 1167413902 /nfs/dbraw/zinc/41/39/02/1167413902.db2.gz OPGHOZVIWYLILT-PLNGDYQASA-N -1 1 316.369 0.705 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC/C=C\CNC(=O)C(C)C)n1 ZINC001591896662 1167413904 /nfs/dbraw/zinc/41/39/04/1167413904.db2.gz OPGHOZVIWYLILT-PLNGDYQASA-N -1 1 316.369 0.705 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC(F)(F)[C@H]2O)n1 ZINC001591901291 1167415179 /nfs/dbraw/zinc/41/51/79/1167415179.db2.gz VTWFHTCKZZNHSU-APPZFPTMSA-N -1 1 311.296 0.926 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC(F)(F)[C@H]2O)n1 ZINC001591901291 1167415186 /nfs/dbraw/zinc/41/51/86/1167415186.db2.gz VTWFHTCKZZNHSU-APPZFPTMSA-N -1 1 311.296 0.926 20 0 DCADMM Cc1cc(N[C@@H]2COc3ccccc3[C@H]2O)cc(-c2nnn[n-]2)n1 ZINC001592040484 1167443908 /nfs/dbraw/zinc/44/39/08/1167443908.db2.gz ZCCDDSBIRXIERZ-UKRRQHHQSA-N -1 1 324.344 0.899 20 0 DCADMM Cc1cc(N[C@@H]2COc3ccccc3[C@H]2O)cc(-c2nn[n-]n2)n1 ZINC001592040484 1167443910 /nfs/dbraw/zinc/44/39/10/1167443910.db2.gz ZCCDDSBIRXIERZ-UKRRQHHQSA-N -1 1 324.344 0.899 20 0 DCADMM Cc1cc(Oc2ccc(F)nc2-c2nn[n-]n2)n2ncnc2n1 ZINC001592062869 1167448721 /nfs/dbraw/zinc/44/87/21/1167448721.db2.gz RXYUDRMBQKULSY-UHFFFAOYSA-N -1 1 313.256 0.939 20 0 DCADMM Cc1ccc(C(=O)Cn2cnc(-c3nn[n-]n3)cc2=O)c(C)c1 ZINC001592115557 1167459097 /nfs/dbraw/zinc/45/90/97/1167459097.db2.gz PIYMLIVXBOPMJW-UHFFFAOYSA-N -1 1 310.317 0.923 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](Cn2ccnn2)C1 ZINC001592111064 1167459116 /nfs/dbraw/zinc/45/91/16/1167459116.db2.gz ZSGIQEYEKDFVMN-LLVKDONJSA-N -1 1 311.353 0.688 20 0 DCADMM Cc1ccc(N2CC[C@@H](C)[S@](=O)CC2)c(-c2nnn[n-]2)n1 ZINC001592174450 1167468238 /nfs/dbraw/zinc/46/82/38/1167468238.db2.gz FEOICIUZNFOTGD-LADRHHBVSA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(N2CC[C@@H](C)[S@](=O)CC2)c(-c2nn[n-]n2)n1 ZINC001592174450 1167468241 /nfs/dbraw/zinc/46/82/41/1167468241.db2.gz FEOICIUZNFOTGD-LADRHHBVSA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592176263 1167470270 /nfs/dbraw/zinc/47/02/70/1167470270.db2.gz YLOQQIZMHDSCKT-UWVGGRQHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592176263 1167470276 /nfs/dbraw/zinc/47/02/76/1167470276.db2.gz YLOQQIZMHDSCKT-UWVGGRQHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)nc1-c1nnn[n-]1 ZINC001592176261 1167471092 /nfs/dbraw/zinc/47/10/92/1167471092.db2.gz YLOQQIZMHDSCKT-NXEZZACHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)nc1-c1nn[n-]n1 ZINC001592176261 1167471097 /nfs/dbraw/zinc/47/10/97/1167471097.db2.gz YLOQQIZMHDSCKT-NXEZZACHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)nc1-c1nnn[n-]1 ZINC001592184556 1167473022 /nfs/dbraw/zinc/47/30/22/1167473022.db2.gz UQBJJVLJIYZQRU-RTCCRHLQSA-N -1 1 304.354 0.646 20 0 DCADMM Cc1ccc(N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)nc1-c1nn[n-]n1 ZINC001592184556 1167473028 /nfs/dbraw/zinc/47/30/28/1167473028.db2.gz UQBJJVLJIYZQRU-RTCCRHLQSA-N -1 1 304.354 0.646 20 0 DCADMM Cc1ccc2nnc(CNC(=O)c3ccc(-c4nnn[n-]4)o3)n2c1 ZINC001592212443 1167476210 /nfs/dbraw/zinc/47/62/10/1167476210.db2.gz MJGJRZSQIHURKY-UHFFFAOYSA-N -1 1 324.304 0.741 20 0 DCADMM Cc1ccc2nnc(CNC(=O)c3ccc(-c4nn[n-]n4)o3)n2c1 ZINC001592212443 1167476214 /nfs/dbraw/zinc/47/62/14/1167476214.db2.gz MJGJRZSQIHURKY-UHFFFAOYSA-N -1 1 324.304 0.741 20 0 DCADMM Cc1ccccc1CCNC(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001592257695 1167479070 /nfs/dbraw/zinc/47/90/70/1167479070.db2.gz JBRKYQGHWIQPNB-UHFFFAOYSA-N -1 1 312.337 0.126 20 0 DCADMM Cc1ccn(CCOC[C@H]2CCCO2)c(=O)c1-c1nn[n-]n1 ZINC001592266862 1167479659 /nfs/dbraw/zinc/47/96/59/1167479659.db2.gz ZRXYDLRMJITTPR-LLVKDONJSA-N -1 1 305.338 0.532 20 0 DCADMM Cc1cccnc1[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001592264317 1167481093 /nfs/dbraw/zinc/48/10/93/1167481093.db2.gz OXEMDZHBSQCXBS-SECBINFHSA-N -1 1 313.325 0.039 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cc(F)ncc2C)c1-c1nn[n-]n1 ZINC001592295590 1167484287 /nfs/dbraw/zinc/48/42/87/1167484287.db2.gz KCWVIHUHPVNHDI-UHFFFAOYSA-N -1 1 302.273 0.993 20 0 DCADMM Cc1cnn(CCn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)c1 ZINC001592303951 1167487064 /nfs/dbraw/zinc/48/70/64/1167487064.db2.gz DJZRTRNNQFQDSM-UHFFFAOYSA-N -1 1 300.326 0.245 20 0 DCADMM Cc1csc(=O)n1CCn1cc(-c2nn[n-]n2)ccc1=O ZINC001592312672 1167487770 /nfs/dbraw/zinc/48/77/70/1167487770.db2.gz SZTMEKFNUOGKLJ-UHFFFAOYSA-N -1 1 304.335 0.260 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cn(C3CC3)nn2)c1-c1nn[n-]n1 ZINC001592330804 1167491299 /nfs/dbraw/zinc/49/12/99/1167491299.db2.gz MGJOGDGYQYKDNT-UHFFFAOYSA-N -1 1 300.286 0.077 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ncc3ccccn32)c1-c1nn[n-]n1 ZINC001592330559 1167491317 /nfs/dbraw/zinc/49/13/17/1167491317.db2.gz JQFSHWXHHSYODF-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1[nH]nc(NC(=O)Cn2ncc3ccccc32)c1-c1nn[n-]n1 ZINC001592330109 1167492032 /nfs/dbraw/zinc/49/20/32/1167492032.db2.gz LDIRDUVBMBFULX-UHFFFAOYSA-N -1 1 323.320 0.887 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCCCCNC(=O)CC2)n1 ZINC001592339708 1167492917 /nfs/dbraw/zinc/49/29/17/1167492917.db2.gz BGQJOBDVVZJBNJ-UHFFFAOYSA-N -1 1 316.369 0.462 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCCCCNC(=O)CC2)n1 ZINC001592339708 1167492922 /nfs/dbraw/zinc/49/29/22/1167492922.db2.gz BGQJOBDVVZJBNJ-UHFFFAOYSA-N -1 1 316.369 0.462 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2C(=O)N(C)C)n1 ZINC001592339707 1167494360 /nfs/dbraw/zinc/49/43/60/1167494360.db2.gz BGOHZQSOSYBHOO-JTQLQIEISA-N -1 1 302.342 0.022 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2C(=O)N(C)C)n1 ZINC001592339707 1167494364 /nfs/dbraw/zinc/49/43/64/1167494364.db2.gz BGOHZQSOSYBHOO-JTQLQIEISA-N -1 1 302.342 0.022 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](CC(N)=O)C2)n1 ZINC001592341402 1167496106 /nfs/dbraw/zinc/49/61/06/1167496106.db2.gz SPHHCZSXDSIYDD-SECBINFHSA-N -1 1 302.342 0.057 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](CC(N)=O)C2)n1 ZINC001592341402 1167496110 /nfs/dbraw/zinc/49/61/10/1167496110.db2.gz SPHHCZSXDSIYDD-SECBINFHSA-N -1 1 302.342 0.057 20 0 DCADMM Cc1nc(CCNC(=O)c2cccc(-c3nnn[n-]3)n2)cs1 ZINC001592360053 1167505437 /nfs/dbraw/zinc/50/54/37/1167505437.db2.gz SIESJKCPDKPQDQ-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1nc(CCNC(=O)c2cccc(-c3nn[n-]n3)n2)cs1 ZINC001592360053 1167505443 /nfs/dbraw/zinc/50/54/43/1167505443.db2.gz SIESJKCPDKPQDQ-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1nc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)oc1C ZINC001592376229 1167506867 /nfs/dbraw/zinc/50/68/67/1167506867.db2.gz CSTMQLGGSPXDSL-LURJTMIESA-N -1 1 303.286 0.263 20 0 DCADMM Cc1nnc(CCNc2cc(-c3nnn[n-]3)nc(C)n2)n1C ZINC001592393457 1167513246 /nfs/dbraw/zinc/51/32/46/1167513246.db2.gz QFFRSQRLXDCWLP-UHFFFAOYSA-N -1 1 300.330 0.057 20 0 DCADMM Cc1nnc(CCNc2cc(-c3nn[n-]n3)nc(C)n2)n1C ZINC001592393457 1167513251 /nfs/dbraw/zinc/51/32/51/1167513251.db2.gz QFFRSQRLXDCWLP-UHFFFAOYSA-N -1 1 300.330 0.057 20 0 DCADMM Cc1ncoc1COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592423138 1167518622 /nfs/dbraw/zinc/51/86/22/1167518622.db2.gz XPPXILNTRCBOQZ-SSDOTTSWSA-N -1 1 304.270 0.059 20 0 DCADMM Cc1nn(C(C)C)cc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001592429504 1167520567 /nfs/dbraw/zinc/52/05/67/1167520567.db2.gz KLALJKKLVZCMAN-UHFFFAOYSA-N -1 1 315.341 0.938 20 0 DCADMM Cc1nn(C(C)C)cc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001592429504 1167520574 /nfs/dbraw/zinc/52/05/74/1167520574.db2.gz KLALJKKLVZCMAN-UHFFFAOYSA-N -1 1 315.341 0.938 20 0 DCADMM Cc1nn(Cc2cnn(CCF)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438087 1167523538 /nfs/dbraw/zinc/52/35/38/1167523538.db2.gz TVFGRZZQOLRJNE-UHFFFAOYSA-N -1 1 318.316 0.255 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H](C)[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC001592442790 1167525629 /nfs/dbraw/zinc/52/56/29/1167525629.db2.gz PHZGRBYAXDQLHV-IONNQARKSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H](C)[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC001592442790 1167525634 /nfs/dbraw/zinc/52/56/34/1167525634.db2.gz PHZGRBYAXDQLHV-IONNQARKSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nncn1CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592450851 1167529099 /nfs/dbraw/zinc/52/90/99/1167529099.db2.gz ARQYRFNYZZAPFQ-UHFFFAOYSA-N -1 1 304.339 0.258 20 0 DCADMM Cc1nsc(N2CC[C@H](n3cncn3)C2)c1-c1nn[n-]n1 ZINC001592473809 1167534810 /nfs/dbraw/zinc/53/48/10/1167534810.db2.gz BQUGWSZUYGPNAJ-QMMMGPOBSA-N -1 1 303.355 0.675 20 0 DCADMM Cc1nsc(N[C@@H](C)CNC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001592484903 1167537850 /nfs/dbraw/zinc/53/78/50/1167537850.db2.gz WYKPXDYPEHOKIA-LURJTMIESA-N -1 1 307.383 0.958 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)C(=O)NC1CC1 ZINC001592501007 1167540842 /nfs/dbraw/zinc/54/08/42/1167540842.db2.gz GSVRJWGBHJNBKV-ZETCQYMHSA-N -1 1 305.294 0.592 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)C(=O)NC1CC1 ZINC001592501007 1167540846 /nfs/dbraw/zinc/54/08/46/1167540846.db2.gz GSVRJWGBHJNBKV-ZETCQYMHSA-N -1 1 305.294 0.592 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC[C@@H]1CNC(=O)C1 ZINC001592503515 1167545435 /nfs/dbraw/zinc/54/54/35/1167545435.db2.gz JQXYJPPLEVTYKM-QMMMGPOBSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC[C@@H]1CNC(=O)C1 ZINC001592503515 1167545441 /nfs/dbraw/zinc/54/54/41/1167545441.db2.gz JQXYJPPLEVTYKM-QMMMGPOBSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCC[C@H]2CCO)c1-c1nnn[n-]1 ZINC001592517813 1167546510 /nfs/dbraw/zinc/54/65/10/1167546510.db2.gz RXKOURJNUZXFPV-VHSXEESVSA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCC[C@H]2CCO)c1-c1nn[n-]n1 ZINC001592517813 1167546517 /nfs/dbraw/zinc/54/65/17/1167546517.db2.gz RXKOURJNUZXFPV-VHSXEESVSA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)N2CCCC(=O)[C@H]2C)c1-c1nnn[n-]1 ZINC001592516024 1167547351 /nfs/dbraw/zinc/54/73/51/1167547351.db2.gz PVYXBCVNCMFCHM-SSDOTTSWSA-N -1 1 304.310 0.286 20 0 DCADMM Cc1onc(CC(=O)N2CCCC(=O)[C@H]2C)c1-c1nn[n-]n1 ZINC001592516024 1167547358 /nfs/dbraw/zinc/54/73/58/1167547358.db2.gz PVYXBCVNCMFCHM-SSDOTTSWSA-N -1 1 304.310 0.286 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(SCC2CCCC2)n(C)c1=O ZINC001592556603 1167557536 /nfs/dbraw/zinc/55/75/36/1167557536.db2.gz FBVPCGTZOSPARI-UHFFFAOYSA-N -1 1 322.394 0.546 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2C3CCC2(CO)CC3)n1 ZINC001592558905 1167559080 /nfs/dbraw/zinc/55/90/80/1167559080.db2.gz LSAOUDBXZPKMBN-UHFFFAOYSA-N -1 1 318.341 0.121 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2C3CCC2(CO)CC3)n1 ZINC001592558905 1167559086 /nfs/dbraw/zinc/55/90/86/1167559086.db2.gz LSAOUDBXZPKMBN-UHFFFAOYSA-N -1 1 318.341 0.121 20 0 DCADMM Cn1cc(Cl)c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC001592559738 1167559856 /nfs/dbraw/zinc/55/98/56/1167559856.db2.gz CCHNDPBDRSTBIT-UHFFFAOYSA-N -1 1 307.705 0.239 20 0 DCADMM Cn1cc(Cl)c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC001592559738 1167559860 /nfs/dbraw/zinc/55/98/60/1167559860.db2.gz CCHNDPBDRSTBIT-UHFFFAOYSA-N -1 1 307.705 0.239 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CC(C)(C)CO2)n1 ZINC001592559740 1167561665 /nfs/dbraw/zinc/56/16/65/1167561665.db2.gz HLLNTUXSEXBVKA-QMMMGPOBSA-N -1 1 320.357 0.537 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CC(C)(C)CO2)n1 ZINC001592559740 1167561668 /nfs/dbraw/zinc/56/16/68/1167561668.db2.gz HLLNTUXSEXBVKA-QMMMGPOBSA-N -1 1 320.357 0.537 20 0 DCADMM Cn1ccc(CCC(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592579861 1167568213 /nfs/dbraw/zinc/56/82/13/1167568213.db2.gz XFYYPFIZGQXARK-UHFFFAOYSA-N -1 1 318.366 0.306 20 0 DCADMM Cn1ccc(CCC(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592579861 1167568219 /nfs/dbraw/zinc/56/82/19/1167568219.db2.gz XFYYPFIZGQXARK-UHFFFAOYSA-N -1 1 318.366 0.306 20 0 DCADMM Cn1cnc([N-]C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)n1 ZINC001592587736 1167574287 /nfs/dbraw/zinc/57/42/87/1167574287.db2.gz NQVZOHWCQJMKSR-UHFFFAOYSA-N -1 1 305.689 0.296 20 0 DCADMM Cn1nnnc1C1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001592612863 1167584034 /nfs/dbraw/zinc/58/40/34/1167584034.db2.gz BRBSRYBINSVWHT-UHFFFAOYSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1nnnc1C1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001592612863 1167584039 /nfs/dbraw/zinc/58/40/39/1167584039.db2.gz BRBSRYBINSVWHT-UHFFFAOYSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1nnc2cc(NC(=O)c3ccc(-c4nnn[n-]4)o3)ccc21 ZINC001592609880 1167585432 /nfs/dbraw/zinc/58/54/32/1167585432.db2.gz CTUXMMWPDJZQSY-UHFFFAOYSA-N -1 1 310.277 0.994 20 0 DCADMM Cn1nnc2cc(NC(=O)c3ccc(-c4nn[n-]n4)o3)ccc21 ZINC001592609880 1167585435 /nfs/dbraw/zinc/58/54/35/1167585435.db2.gz CTUXMMWPDJZQSY-UHFFFAOYSA-N -1 1 310.277 0.994 20 0 DCADMM FC(F)(F)CSCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592614945 1167585857 /nfs/dbraw/zinc/58/58/57/1167585857.db2.gz KCVRFNXJAZOWTK-UHFFFAOYSA-N -1 1 305.289 0.786 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001592735671 1167622317 /nfs/dbraw/zinc/62/23/17/1167622317.db2.gz ZMLLIHGWMQBTOY-KYZUINATSA-N -1 1 302.342 0.360 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001592735671 1167622320 /nfs/dbraw/zinc/62/23/20/1167622320.db2.gz ZMLLIHGWMQBTOY-KYZUINATSA-N -1 1 302.342 0.360 20 0 DCADMM NC(=O)c1c[nH]nc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592737520 1167623104 /nfs/dbraw/zinc/62/31/04/1167623104.db2.gz GXEIIBROMYHFHK-UHFFFAOYSA-N -1 1 304.295 0.003 20 0 DCADMM NC(=O)c1c[nH]nc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001592737520 1167623108 /nfs/dbraw/zinc/62/31/08/1167623108.db2.gz GXEIIBROMYHFHK-UHFFFAOYSA-N -1 1 304.295 0.003 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cn(-c2ccccc2)cn1 ZINC001592752994 1167630666 /nfs/dbraw/zinc/63/06/66/1167630666.db2.gz MDIZBBVEBXSNPR-UHFFFAOYSA-N -1 1 321.304 0.520 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1n[nH]cc1C(F)(F)F ZINC001592753255 1167631117 /nfs/dbraw/zinc/63/11/17/1167631117.db2.gz MWDSLWIKQYIMAO-UHFFFAOYSA-N -1 1 313.203 0.076 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1nc(C2CC2)cs1 ZINC001592752795 1167631127 /nfs/dbraw/zinc/63/11/27/1167631127.db2.gz FGJYMXNESRDRKP-UHFFFAOYSA-N -1 1 302.323 0.668 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=CCOc1ccccc1 ZINC001592753522 1167632286 /nfs/dbraw/zinc/63/22/86/1167632286.db2.gz AYOYGODJQWZINY-DAXSKMNVSA-N -1 1 311.305 0.921 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1OCCc2ccccc21 ZINC001592754893 1167633853 /nfs/dbraw/zinc/63/38/53/1167633853.db2.gz VKYJYRSGLPAHIR-LLVKDONJSA-N -1 1 311.305 0.600 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(F)c(F)cc1N ZINC001592758962 1167635763 /nfs/dbraw/zinc/63/57/63/1167635763.db2.gz MEJMQCKJJVASMH-UHFFFAOYSA-N -1 1 306.236 0.194 20 0 DCADMM O=C(C1CC1)N1CCC(Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001592773807 1167639774 /nfs/dbraw/zinc/63/97/74/1167639774.db2.gz IJEKEFZGJIYSBR-UHFFFAOYSA-N -1 1 313.365 0.497 20 0 DCADMM O=C(C1CC1)N1CCC(Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001592773807 1167639777 /nfs/dbraw/zinc/63/97/77/1167639777.db2.gz IJEKEFZGJIYSBR-UHFFFAOYSA-N -1 1 313.365 0.497 20 0 DCADMM O=C(C=Cc1cccnc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592799036 1167644509 /nfs/dbraw/zinc/64/45/09/1167644509.db2.gz IBWARIHMUQDXFC-ONEGZZNKSA-N -1 1 307.317 0.986 20 0 DCADMM O=C(C=Cc1cccnc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592799036 1167644514 /nfs/dbraw/zinc/64/45/14/1167644514.db2.gz IBWARIHMUQDXFC-ONEGZZNKSA-N -1 1 307.317 0.986 20 0 DCADMM O=C(C=Cc1ccncn1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592802024 1167645382 /nfs/dbraw/zinc/64/53/82/1167645382.db2.gz OADHKXBPGZXKQX-UPHRSURJSA-N -1 1 314.334 0.443 20 0 DCADMM O=C(C=Cc1ccncn1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592802024 1167645386 /nfs/dbraw/zinc/64/53/86/1167645386.db2.gz OADHKXBPGZXKQX-UPHRSURJSA-N -1 1 314.334 0.443 20 0 DCADMM O=C(C[C@@H]1CCOC1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592826079 1167646699 /nfs/dbraw/zinc/64/66/99/1167646699.db2.gz FMKWDEOKETXKNF-ZETCQYMHSA-N -1 1 303.326 0.832 20 0 DCADMM O=C(CCOCC1CC1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592846334 1167649352 /nfs/dbraw/zinc/64/93/52/1167649352.db2.gz YYXJRSYMUUARNV-UHFFFAOYSA-N -1 1 308.367 0.756 20 0 DCADMM O=C(CNc1cc(-c2nnn[n-]2)ncn1)NCc1ccccc1 ZINC001592874999 1167654458 /nfs/dbraw/zinc/65/44/58/1167654458.db2.gz SPRONACHSLMACL-UHFFFAOYSA-N -1 1 310.321 0.385 20 0 DCADMM O=C(CNc1cc(-c2nn[n-]n2)ncn1)NCc1ccccc1 ZINC001592874999 1167654462 /nfs/dbraw/zinc/65/44/62/1167654462.db2.gz SPRONACHSLMACL-UHFFFAOYSA-N -1 1 310.321 0.385 20 0 DCADMM O=C(COc1cnc(-c2nn[n-]n2)nc1)NCc1ccccc1 ZINC001592900070 1167661400 /nfs/dbraw/zinc/66/14/00/1167661400.db2.gz RFHLIILNDLZRKO-UHFFFAOYSA-N -1 1 311.305 0.352 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1COC[C@@H]1C1CC1 ZINC001592914569 1167663365 /nfs/dbraw/zinc/66/33/65/1167663365.db2.gz CQQHEWRBQQJXJY-DGCLKSJQSA-N -1 1 314.349 0.345 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1COC[C@@H]1C1CC1 ZINC001592914569 1167663368 /nfs/dbraw/zinc/66/33/68/1167663368.db2.gz CQQHEWRBQQJXJY-DGCLKSJQSA-N -1 1 314.349 0.345 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@H]1CCCOC1 ZINC001592914161 1167663422 /nfs/dbraw/zinc/66/34/22/1167663422.db2.gz PQCUXKLVNHUOFK-LLVKDONJSA-N -1 1 302.338 0.347 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@H]1CCCOC1 ZINC001592914161 1167663424 /nfs/dbraw/zinc/66/34/24/1167663424.db2.gz PQCUXKLVNHUOFK-LLVKDONJSA-N -1 1 302.338 0.347 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCOCC12CC2 ZINC001592915194 1167665590 /nfs/dbraw/zinc/66/55/90/1167665590.db2.gz MBZQYEVKIXREOY-UHFFFAOYSA-N -1 1 300.322 0.196 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCOCC12CC2 ZINC001592915194 1167665594 /nfs/dbraw/zinc/66/55/94/1167665594.db2.gz MBZQYEVKIXREOY-UHFFFAOYSA-N -1 1 300.322 0.196 20 0 DCADMM O=C(Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2)c1cnccn1 ZINC001592934721 1167667506 /nfs/dbraw/zinc/66/75/06/1167667506.db2.gz SQMWZZJVVVOXAD-UHFFFAOYSA-N -1 1 323.316 0.190 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)ccc1=O)c1c[nH]c2ncccc12 ZINC001592936022 1167667813 /nfs/dbraw/zinc/66/78/13/1167667813.db2.gz GKYGNLSMZRREDA-UHFFFAOYSA-N -1 1 321.300 0.788 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC001592940983 1167669043 /nfs/dbraw/zinc/66/90/43/1167669043.db2.gz MVQZBFSVECKZEU-LPEHRKFASA-N -1 1 302.342 0.011 20 0 DCADMM O=C(N[C@H]1CCCCNC1=O)c1csc(-c2nn[n-]n2)c1 ZINC001592977580 1167679164 /nfs/dbraw/zinc/67/91/64/1167679164.db2.gz TZMQEKSFZZBXND-QMMMGPOBSA-N -1 1 306.351 0.327 20 0 DCADMM O=C(N[C@H]1CCn2cncc2C1)c1ccc(-c2nn[n-]n2)s1 ZINC001592997060 1167681081 /nfs/dbraw/zinc/68/10/81/1167681081.db2.gz QEZKTWWNJLQUKE-QMMMGPOBSA-N -1 1 315.362 0.870 20 0 DCADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001592992671 1167681256 /nfs/dbraw/zinc/68/12/56/1167681256.db2.gz SCKBYDJYEABURN-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001592992671 1167681259 /nfs/dbraw/zinc/68/12/59/1167681259.db2.gz SCKBYDJYEABURN-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(CNC(=O)c1coc(-c2nnn[n-]2)c1)c1cncs1 ZINC001593004090 1167683488 /nfs/dbraw/zinc/68/34/88/1167683488.db2.gz BQHWFDQTXBWQBK-UHFFFAOYSA-N -1 1 304.291 0.529 20 0 DCADMM O=C(CNC(=O)c1coc(-c2nn[n-]n2)c1)c1cncs1 ZINC001593004090 1167683492 /nfs/dbraw/zinc/68/34/92/1167683492.db2.gz BQHWFDQTXBWQBK-UHFFFAOYSA-N -1 1 304.291 0.529 20 0 DCADMM O=C(NC[C@@H](CO)CC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593006476 1167686857 /nfs/dbraw/zinc/68/68/57/1167686857.db2.gz KCGVKADJEVKBHZ-JTQLQIEISA-N -1 1 302.338 0.400 20 0 DCADMM O=C(NC[C@@H](CO)CC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593006476 1167686860 /nfs/dbraw/zinc/68/68/60/1167686860.db2.gz KCGVKADJEVKBHZ-JTQLQIEISA-N -1 1 302.338 0.400 20 0 DCADMM O=C(NC[C@H]1CC2(CCC2)CO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593029261 1167690388 /nfs/dbraw/zinc/69/03/88/1167690388.db2.gz VFQBRODHYBNNBC-LLVKDONJSA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NC[C@H]1CC2(CCC2)CO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593029261 1167690392 /nfs/dbraw/zinc/69/03/92/1167690392.db2.gz VFQBRODHYBNNBC-LLVKDONJSA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NCCCN1CCCCC1=O)c1coc(-c2nnn[n-]2)c1 ZINC001593070503 1167697476 /nfs/dbraw/zinc/69/74/76/1167697476.db2.gz GYRYJLOZDNVRPM-UHFFFAOYSA-N -1 1 318.337 0.592 20 0 DCADMM O=C(NCCCN1CCCCC1=O)c1coc(-c2nn[n-]n2)c1 ZINC001593070503 1167697481 /nfs/dbraw/zinc/69/74/81/1167697481.db2.gz GYRYJLOZDNVRPM-UHFFFAOYSA-N -1 1 318.337 0.592 20 0 DCADMM O=C(NCCNc1cnc(-c2nnn[n-]2)cn1)C1=CCCC1 ZINC001593091077 1167705249 /nfs/dbraw/zinc/70/52/49/1167705249.db2.gz UWCBQNUHIQQUCK-UHFFFAOYSA-N -1 1 300.326 0.295 20 0 DCADMM O=C(NCCNc1cnc(-c2nn[n-]n2)cn1)C1=CCCC1 ZINC001593091077 1167705258 /nfs/dbraw/zinc/70/52/58/1167705258.db2.gz UWCBQNUHIQQUCK-UHFFFAOYSA-N -1 1 300.326 0.295 20 0 DCADMM O=C(NCCOCC(F)F)c1ccsc1-c1nnn[n-]1 ZINC001593096440 1167706255 /nfs/dbraw/zinc/70/62/55/1167706255.db2.gz GGNPUISDLGQLEY-UHFFFAOYSA-N -1 1 303.294 0.940 20 0 DCADMM O=C(NCCOCC(F)F)c1ccsc1-c1nn[n-]n1 ZINC001593096440 1167706258 /nfs/dbraw/zinc/70/62/58/1167706258.db2.gz GGNPUISDLGQLEY-UHFFFAOYSA-N -1 1 303.294 0.940 20 0 DCADMM O=C(NCCOC1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593096354 1167707278 /nfs/dbraw/zinc/70/72/78/1167707278.db2.gz BENXQTGBHCIIAN-UHFFFAOYSA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCOC1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593096354 1167707284 /nfs/dbraw/zinc/70/72/84/1167707284.db2.gz BENXQTGBHCIIAN-UHFFFAOYSA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCc1ccns1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593108063 1167711646 /nfs/dbraw/zinc/71/16/46/1167711646.db2.gz QPHASGBQARQOEE-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM O=C(NCCc1ccns1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593108063 1167711650 /nfs/dbraw/zinc/71/16/50/1167711650.db2.gz QPHASGBQARQOEE-UHFFFAOYSA-N -1 1 301.335 0.691 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1csc(Cl)c1 ZINC001593113028 1167712603 /nfs/dbraw/zinc/71/26/03/1167712603.db2.gz VOKCRUIGBGBYAP-UHFFFAOYSA-N -1 1 324.757 0.603 20 0 DCADMM O=C(NC[C@H](O)C(F)(F)F)c1ccsc1-c1nnn[n-]1 ZINC001593114270 1167714442 /nfs/dbraw/zinc/71/44/42/1167714442.db2.gz CWLVZOBELBRORC-YFKPBYRVSA-N -1 1 307.257 0.581 20 0 DCADMM O=C(NC[C@H](O)C(F)(F)F)c1ccsc1-c1nn[n-]n1 ZINC001593114270 1167714449 /nfs/dbraw/zinc/71/44/49/1167714449.db2.gz CWLVZOBELBRORC-YFKPBYRVSA-N -1 1 307.257 0.581 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cnc2[nH]cnc2c1 ZINC001593145999 1167723143 /nfs/dbraw/zinc/72/31/43/1167723143.db2.gz DMJKORZOSIOUPA-UHFFFAOYSA-N -1 1 321.304 0.463 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2ccccc2oc1=O ZINC001593198111 1167735744 /nfs/dbraw/zinc/73/57/44/1167735744.db2.gz WUVUCCCZYXTAHV-UHFFFAOYSA-N -1 1 323.272 0.949 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccnc(-n2cccn2)c1 ZINC001593199656 1167736461 /nfs/dbraw/zinc/73/64/61/1167736461.db2.gz QNPYTAZJCVMOEP-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccnc(-n2cccn2)c1 ZINC001593199656 1167736470 /nfs/dbraw/zinc/73/64/70/1167736470.db2.gz QNPYTAZJCVMOEP-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(OC1CN(CC(F)F)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593281368 1167757431 /nfs/dbraw/zinc/75/74/31/1167757431.db2.gz WIUHXDGSVJBHLP-UHFFFAOYSA-N -1 1 310.264 0.368 20 0 DCADMM O=C(OC1CN(CC(F)F)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593281368 1167757437 /nfs/dbraw/zinc/75/74/37/1167757437.db2.gz WIUHXDGSVJBHLP-UHFFFAOYSA-N -1 1 310.264 0.368 20 0 DCADMM O=C(OCCO[C@@H]1CC1(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001593290787 1167763947 /nfs/dbraw/zinc/76/39/47/1167763947.db2.gz RQKRUJIPZGENBW-SECBINFHSA-N -1 1 311.248 0.843 20 0 DCADMM O=C(OCCO[C@@H]1CC1(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001593290787 1167763954 /nfs/dbraw/zinc/76/39/54/1167763954.db2.gz RQKRUJIPZGENBW-SECBINFHSA-N -1 1 311.248 0.843 20 0 DCADMM O=C(OCCNc1cccnn1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593290454 1167765299 /nfs/dbraw/zinc/76/52/99/1167765299.db2.gz RPLAQSKFCXPNKY-UHFFFAOYSA-N -1 1 312.293 0.321 20 0 DCADMM O=C(OCCNc1cccnn1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593290454 1167765306 /nfs/dbraw/zinc/76/53/06/1167765306.db2.gz RPLAQSKFCXPNKY-UHFFFAOYSA-N -1 1 312.293 0.321 20 0 DCADMM O=C(OCc1cnn2c1CCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001593305519 1167767815 /nfs/dbraw/zinc/76/78/15/1167767815.db2.gz SBZXEDOBWRYRQG-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM O=C(OCc1cnn2c1CCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001593305519 1167767822 /nfs/dbraw/zinc/76/78/22/1167767822.db2.gz SBZXEDOBWRYRQG-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(C2OCCO2)CC1 ZINC001593341866 1167781842 /nfs/dbraw/zinc/78/18/42/1167781842.db2.gz ZQUOTZPVVWUSSZ-UHFFFAOYSA-N -1 1 319.321 0.685 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(C2OCCO2)CC1 ZINC001593341866 1167781854 /nfs/dbraw/zinc/78/18/54/1167781854.db2.gz ZQUOTZPVVWUSSZ-UHFFFAOYSA-N -1 1 319.321 0.685 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(CCCCO)C1CC1 ZINC001593347805 1167783044 /nfs/dbraw/zinc/78/30/44/1167783044.db2.gz HCUVHYQLQWQYMZ-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(CCCCO)C1CC1 ZINC001593347805 1167783052 /nfs/dbraw/zinc/78/30/52/1167783052.db2.gz HCUVHYQLQWQYMZ-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](C2OCCO2)C1 ZINC001593348459 1167785871 /nfs/dbraw/zinc/78/58/71/1167785871.db2.gz ZRYGWXVIXOHXDO-SECBINFHSA-N -1 1 316.321 0.097 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](C2OCCO2)C1 ZINC001593348459 1167785877 /nfs/dbraw/zinc/78/58/77/1167785877.db2.gz ZRYGWXVIXOHXDO-SECBINFHSA-N -1 1 316.321 0.097 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H]2COCC[C@@H]21 ZINC001593359017 1167785933 /nfs/dbraw/zinc/78/59/33/1167785933.db2.gz SWKFHUUVIPNJRP-AAEUAGOBSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H]2COCC[C@@H]21 ZINC001593359017 1167785944 /nfs/dbraw/zinc/78/59/44/1167785944.db2.gz SWKFHUUVIPNJRP-AAEUAGOBSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC(OCCO)CC1 ZINC001593362324 1167787811 /nfs/dbraw/zinc/78/78/11/1167787811.db2.gz MIGPYABHFCAPPK-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC(OCCO)CC1 ZINC001593362324 1167787819 /nfs/dbraw/zinc/78/78/19/1167787819.db2.gz MIGPYABHFCAPPK-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM O=C1C[C@@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)CN1 ZINC001593387152 1167798166 /nfs/dbraw/zinc/79/81/66/1167798166.db2.gz ZTCFJTSWDYZXEC-SECBINFHSA-N -1 1 310.317 0.318 20 0 DCADMM O=C1CC[C@@H](Sc2cccc(F)c2-c2nn[n-]n2)C(=O)N1 ZINC001593389871 1167804215 /nfs/dbraw/zinc/80/42/15/1167804215.db2.gz GTIWDRMVJNGMPO-MRVPVSSYSA-N -1 1 307.310 0.903 20 0 DCADMM O=C1CCCN1[C@@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001593393259 1167805057 /nfs/dbraw/zinc/80/50/57/1167805057.db2.gz WUVFFMTZSONUMV-LLVKDONJSA-N -1 1 313.365 0.853 20 0 DCADMM O=C1CCCN1[C@@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001593393259 1167805063 /nfs/dbraw/zinc/80/50/63/1167805063.db2.gz WUVFFMTZSONUMV-LLVKDONJSA-N -1 1 313.365 0.853 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC2(C1)CCNC(=O)O2 ZINC001593404559 1167814476 /nfs/dbraw/zinc/81/44/76/1167814476.db2.gz LJHYKZRRWCDELQ-UHFFFAOYSA-N -1 1 320.334 0.253 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC2(C1)CCNC(=O)O2 ZINC001593404559 1167814490 /nfs/dbraw/zinc/81/44/90/1167814490.db2.gz LJHYKZRRWCDELQ-UHFFFAOYSA-N -1 1 320.334 0.253 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001593411131 1167819896 /nfs/dbraw/zinc/81/98/96/1167819896.db2.gz YGPCZWHBRJQADW-SFYZADRCSA-N -1 1 318.293 0.030 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001593411131 1167819903 /nfs/dbraw/zinc/81/99/03/1167819903.db2.gz YGPCZWHBRJQADW-SFYZADRCSA-N -1 1 318.293 0.030 20 0 DCADMM O=C1OCC[C@@]12CCCN2Cc1ccnc(-c2nn[n-]n2)c1 ZINC001593412692 1167820386 /nfs/dbraw/zinc/82/03/86/1167820386.db2.gz FAAMREPDWLZKAB-AWEZNQCLSA-N -1 1 300.322 0.543 20 0 DCADMM O=S(=O)(NCCCCF)c1ccc(-c2nnn[n-]2)nc1 ZINC001593437114 1167835445 /nfs/dbraw/zinc/83/54/45/1167835445.db2.gz GYBPJERODSYICY-UHFFFAOYSA-N -1 1 300.319 0.290 20 0 DCADMM O=S(=O)(NCCCCF)c1ccc(-c2nn[n-]n2)nc1 ZINC001593437114 1167835447 /nfs/dbraw/zinc/83/54/47/1167835447.db2.gz GYBPJERODSYICY-UHFFFAOYSA-N -1 1 300.319 0.290 20 0 DCADMM O=S(=O)(NCC1(O)CCC1)c1ccsc1-c1nn[n-]n1 ZINC001593432947 1167838713 /nfs/dbraw/zinc/83/87/13/1167838713.db2.gz ZTKHQWIJSKHKNC-UHFFFAOYSA-N -1 1 315.380 0.122 20 0 DCADMM O=S(=O)(NCCn1cccc1)c1cccnc1-c1nn[n-]n1 ZINC001593440144 1167842574 /nfs/dbraw/zinc/84/25/74/1167842574.db2.gz JFBXRMUPTMDVLW-UHFFFAOYSA-N -1 1 319.350 0.042 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1C[C@H](O)c1ccc(F)cc1 ZINC001593493164 1167877350 /nfs/dbraw/zinc/87/73/50/1167877350.db2.gz ABMXUPKSINGRHF-NSHDSACASA-N -1 1 302.269 0.296 20 0 DCADMM O=c1n(Cc2nc(-c3nnn[n-]3)cs2)nc2n1CCCCC2 ZINC001593497411 1167878561 /nfs/dbraw/zinc/87/85/61/1167878561.db2.gz CFHPBSWGQNEXSK-UHFFFAOYSA-N -1 1 318.366 0.456 20 0 DCADMM O=c1n(Cc2nc(-c3nn[n-]n3)cs2)nc2n1CCCCC2 ZINC001593497411 1167878564 /nfs/dbraw/zinc/87/85/64/1167878564.db2.gz CFHPBSWGQNEXSK-UHFFFAOYSA-N -1 1 318.366 0.456 20 0 DCADMM O=c1c2ccncc2ncn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC001593494928 1167879329 /nfs/dbraw/zinc/87/93/29/1167879329.db2.gz UCVTWPYQZPZADD-UHFFFAOYSA-N -1 1 306.289 0.415 20 0 DCADMM O=c1c2ccncc2ncn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001593494928 1167879333 /nfs/dbraw/zinc/87/93/33/1167879333.db2.gz UCVTWPYQZPZADD-UHFFFAOYSA-N -1 1 306.289 0.415 20 0 DCADMM O[C@@H]([C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001593498616 1167882672 /nfs/dbraw/zinc/88/26/72/1167882672.db2.gz QHUHTORJNVLEJT-RCOVLWMOSA-N -1 1 315.259 0.406 20 0 DCADMM O[C@@H]([C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001593498616 1167882680 /nfs/dbraw/zinc/88/26/80/1167882680.db2.gz QHUHTORJNVLEJT-RCOVLWMOSA-N -1 1 315.259 0.406 20 0 DCADMM O[C@H](CCC1(O)CCC1)COc1ccc(F)nc1-c1nn[n-]n1 ZINC001593500821 1167884087 /nfs/dbraw/zinc/88/40/87/1167884087.db2.gz IQRSAIAEJNEBSX-SECBINFHSA-N -1 1 323.328 0.836 20 0 DCADMM O[C@@H](CNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001593507606 1167885562 /nfs/dbraw/zinc/88/55/62/1167885562.db2.gz RHKLQAIIIWGCDV-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H](CNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001593507606 1167885567 /nfs/dbraw/zinc/88/55/67/1167885567.db2.gz RHKLQAIIIWGCDV-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM OC1(C2CCC2)CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001593510524 1167888343 /nfs/dbraw/zinc/88/83/43/1167888343.db2.gz KYZCHWDAYZSISM-UHFFFAOYSA-N -1 1 301.354 0.788 20 0 DCADMM OC1(C2CCC2)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001593511647 1167891343 /nfs/dbraw/zinc/89/13/43/1167891343.db2.gz YOAXPJWYXDTASE-UHFFFAOYSA-N -1 1 301.354 0.788 20 0 DCADMM OC1(C2CCC2)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001593511647 1167891349 /nfs/dbraw/zinc/89/13/49/1167891349.db2.gz YOAXPJWYXDTASE-UHFFFAOYSA-N -1 1 301.354 0.788 20 0 DCADMM OC[C@@H]([C@H](Nc1ncncc1-c1nn[n-]n1)C1CC1)C1CC1 ZINC001593522425 1167897534 /nfs/dbraw/zinc/89/75/34/1167897534.db2.gz RFNPWOWZCOERSS-VXGBXAGGSA-N -1 1 301.354 0.866 20 0 DCADMM OC[C@H](CNc1cnc(-c2nnn[n-]2)cn1)Cc1ccco1 ZINC001593525868 1167900059 /nfs/dbraw/zinc/90/00/59/1167900059.db2.gz YYEJKVHETJCIIM-VIFPVBQESA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@H](CNc1cnc(-c2nn[n-]n2)cn1)Cc1ccco1 ZINC001593525868 1167900064 /nfs/dbraw/zinc/90/00/64/1167900064.db2.gz YYEJKVHETJCIIM-VIFPVBQESA-N -1 1 301.310 0.513 20 0 DCADMM OCC[C@@H](Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001593528122 1167905504 /nfs/dbraw/zinc/90/55/04/1167905504.db2.gz FAPZDBZLRXCEIF-LBPRGKRZSA-N -1 1 311.349 0.484 20 0 DCADMM O[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1Cc1ccccc1 ZINC001593536298 1167917698 /nfs/dbraw/zinc/91/76/98/1167917698.db2.gz GRKBEOWSZNXEEK-TZMCWYRMSA-N -1 1 323.360 0.697 20 0 DCADMM O[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1Cc1ccccc1 ZINC001593536298 1167917709 /nfs/dbraw/zinc/91/77/09/1167917709.db2.gz GRKBEOWSZNXEEK-TZMCWYRMSA-N -1 1 323.360 0.697 20 0 DCADMM Oc1ccc2c(c1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001593539826 1167923147 /nfs/dbraw/zinc/92/31/47/1167923147.db2.gz HQODWSMRSCGDKW-UHFFFAOYSA-N -1 1 309.333 0.968 20 0 DCADMM Oc1ccc2c(c1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001593539826 1167923151 /nfs/dbraw/zinc/92/31/51/1167923151.db2.gz HQODWSMRSCGDKW-UHFFFAOYSA-N -1 1 309.333 0.968 20 0 DCADMM O[C@@H]1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001593538661 1167923232 /nfs/dbraw/zinc/92/32/32/1167923232.db2.gz ZGDOWWHENFJJMI-ZQARSLAVSA-N -1 1 310.745 0.601 20 0 DCADMM O[C@@H]1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001593538661 1167923249 /nfs/dbraw/zinc/92/32/49/1167923249.db2.gz ZGDOWWHENFJJMI-ZQARSLAVSA-N -1 1 310.745 0.601 20 0 DCADMM c1cnc(N2CCC(c3ccncn3)CC2)c(-c2nnn[n-]2)n1 ZINC001593555360 1167934668 /nfs/dbraw/zinc/93/46/68/1167934668.db2.gz YWFJQKFWPUIXAA-UHFFFAOYSA-N -1 1 309.337 0.831 20 0 DCADMM c1cnc(N2CCC(c3ccncn3)CC2)c(-c2nn[n-]n2)n1 ZINC001593555360 1167934677 /nfs/dbraw/zinc/93/46/77/1167934677.db2.gz YWFJQKFWPUIXAA-UHFFFAOYSA-N -1 1 309.337 0.831 20 0 DCADMM c1nc(-c2nnn[n-]2)cnc1NCc1nnc2n1CCCCC2 ZINC001593590263 1167953919 /nfs/dbraw/zinc/95/39/19/1167953919.db2.gz MKNCRDCLGRBWEH-UHFFFAOYSA-N -1 1 312.341 0.587 20 0 DCADMM c1nc(-c2nn[n-]n2)cnc1NCc1nnc2n1CCCCC2 ZINC001593590263 1167953921 /nfs/dbraw/zinc/95/39/21/1167953921.db2.gz MKNCRDCLGRBWEH-UHFFFAOYSA-N -1 1 312.341 0.587 20 0 DCADMM c1nc(N2CCC([C@H]3CCOC3)CC2)cnc1-c1nnn[n-]1 ZINC001593591651 1167955094 /nfs/dbraw/zinc/95/50/94/1167955094.db2.gz SRGBOYNTRKUZAA-NSHDSACASA-N -1 1 301.354 0.910 20 0 DCADMM c1nc(N2CCC([C@H]3CCOC3)CC2)cnc1-c1nn[n-]n1 ZINC001593591651 1167955099 /nfs/dbraw/zinc/95/50/99/1167955099.db2.gz SRGBOYNTRKUZAA-NSHDSACASA-N -1 1 301.354 0.910 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N[C@@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC001593594842 1167957755 /nfs/dbraw/zinc/95/77/55/1167957755.db2.gz 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O=C(C[C@@H]1CCNC1=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606504275 1170222228 /nfs/dbraw/zinc/22/22/28/1170222228.db2.gz VEOQAVVLXLEDRT-ZETCQYMHSA-N -1 1 306.351 0.071 20 0 DCADMM COC(=O)c1cc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[nH]c1C ZINC001606544293 1170232375 /nfs/dbraw/zinc/23/23/75/1170232375.db2.gz XSEYZRXIHYODLH-IUCAKERBSA-N -1 1 311.338 0.177 20 0 DCADMM O=C(COc1ccc(F)cc1)Cn1cc(-c2nn[n-]n2)nn1 ZINC001606571910 1170236786 /nfs/dbraw/zinc/23/67/86/1170236786.db2.gz HBVXLVOVQMTDGG-UHFFFAOYSA-N -1 1 303.257 0.245 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCOC1CCC1 ZINC001606595529 1170240004 /nfs/dbraw/zinc/24/00/04/1170240004.db2.gz YLLRDRUFBJQBFL-UHFFFAOYSA-N -1 1 302.338 0.490 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCOC1CCC1 ZINC001606595529 1170240008 /nfs/dbraw/zinc/24/00/08/1170240008.db2.gz YLLRDRUFBJQBFL-UHFFFAOYSA-N -1 1 302.338 0.490 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](C2CC2)C1 ZINC001606595430 1170240169 /nfs/dbraw/zinc/24/01/69/1170240169.db2.gz WNUVVPALDJAHDX-CYBMUJFWSA-N -1 1 314.349 0.442 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](C2CC2)C1 ZINC001606595430 1170240173 /nfs/dbraw/zinc/24/01/73/1170240173.db2.gz WNUVVPALDJAHDX-CYBMUJFWSA-N -1 1 314.349 0.442 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cccc2nonc21 ZINC001606596534 1170240320 /nfs/dbraw/zinc/24/03/20/1170240320.db2.gz PJZMQSIJLFWYMW-UHFFFAOYSA-N -1 1 322.288 0.979 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cccc2nonc21 ZINC001606596534 1170240325 /nfs/dbraw/zinc/24/03/25/1170240325.db2.gz PJZMQSIJLFWYMW-UHFFFAOYSA-N -1 1 322.288 0.979 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)Nc1cccc(F)c1 ZINC001606620520 1170245197 /nfs/dbraw/zinc/24/51/97/1170245197.db2.gz IULKDKLFAHIRAM-UHFFFAOYSA-N -1 1 315.268 0.201 20 0 DCADMM COC(=O)c1ccnc(N2CCN(CCC(=O)[O-])C[C@@H]2C)n1 ZINC001606622342 1170245353 /nfs/dbraw/zinc/24/53/53/1170245353.db2.gz SVTSAEQUMYPQJP-JTQLQIEISA-N -1 1 308.338 0.248 20 0 DCADMM O=C(N[C@H](CO)CC1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606634959 1170249321 /nfs/dbraw/zinc/24/93/21/1170249321.db2.gz DTFYNPOVWGAMDP-NSHDSACASA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H](CO)CC1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606634959 1170249323 /nfs/dbraw/zinc/24/93/23/1170249323.db2.gz DTFYNPOVWGAMDP-NSHDSACASA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H](CO)[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001606635528 1170249367 /nfs/dbraw/zinc/24/93/67/1170249367.db2.gz SDZTVBANHWOTKV-JGVFFNPUSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@H](CO)[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001606635528 1170249372 /nfs/dbraw/zinc/24/93/72/1170249372.db2.gz SDZTVBANHWOTKV-JGVFFNPUSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@H](CO)c1ccsc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606635533 1170249490 /nfs/dbraw/zinc/24/94/90/1170249490.db2.gz SGSAYLJYJUXJGM-LLVKDONJSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@H](CO)c1ccsc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606635533 1170249492 /nfs/dbraw/zinc/24/94/92/1170249492.db2.gz SGSAYLJYJUXJGM-LLVKDONJSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@@H](CO)[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001606635530 1170249803 /nfs/dbraw/zinc/24/98/03/1170249803.db2.gz SDZTVBANHWOTKV-YUMQZZPRSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@@H](CO)[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001606635530 1170249807 /nfs/dbraw/zinc/24/98/07/1170249807.db2.gz SDZTVBANHWOTKV-YUMQZZPRSA-N -1 1 309.351 0.055 20 0 DCADMM CO[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1cnn(C)c1 ZINC001606644635 1170251478 /nfs/dbraw/zinc/25/14/78/1170251478.db2.gz TUWJUBOONRJDPP-SMDDNHRTSA-N -1 1 324.381 0.115 20 0 DCADMM O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606683639 1170261351 /nfs/dbraw/zinc/26/13/51/1170261351.db2.gz SFLJODTWLTVURR-SECBINFHSA-N -1 1 310.321 0.272 20 0 DCADMM O=C(N[C@H]1COC[C@H]1C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606688546 1170262094 /nfs/dbraw/zinc/26/20/94/1170262094.db2.gz IZLJTHAONXOPRH-CABZTGNLSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(N[C@H]1COC[C@H]1C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606688546 1170262100 /nfs/dbraw/zinc/26/21/00/1170262100.db2.gz IZLJTHAONXOPRH-CABZTGNLSA-N -1 1 300.322 0.417 20 0 DCADMM O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606688740 1170263063 /nfs/dbraw/zinc/26/30/63/1170263063.db2.gz LNZFTIJGHIGHET-BXKDBHETSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606688740 1170263066 /nfs/dbraw/zinc/26/30/66/1170263066.db2.gz LNZFTIJGHIGHET-BXKDBHETSA-N -1 1 300.322 0.559 20 0 DCADMM CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)C1 ZINC001606698542 1170266637 /nfs/dbraw/zinc/26/66/37/1170266637.db2.gz XDWJYRQLUFIGLV-XPTSAGLGSA-N -1 1 310.354 0.534 20 0 DCADMM CO[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)[C@H](C(=O)[O-])C1 ZINC001606750508 1170277584 /nfs/dbraw/zinc/27/75/84/1170277584.db2.gz LMDWOWGSFFYHBU-CWSCBRNRSA-N -1 1 307.350 0.605 20 0 DCADMM O=C(NCC[C@]1(O)CCCOC1)c1coc(-c2nnn[n-]2)c1 ZINC001606758468 1170279194 /nfs/dbraw/zinc/27/91/94/1170279194.db2.gz SWOGEQDESNCBTO-CYBMUJFWSA-N -1 1 307.310 0.121 20 0 DCADMM O=C(NCC[C@]1(O)CCCOC1)c1coc(-c2nn[n-]n2)c1 ZINC001606758468 1170279199 /nfs/dbraw/zinc/27/91/99/1170279199.db2.gz SWOGEQDESNCBTO-CYBMUJFWSA-N -1 1 307.310 0.121 20 0 DCADMM O=C(NCCCCCO)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606766883 1170281481 /nfs/dbraw/zinc/28/14/81/1170281481.db2.gz SMULTLUAFBPVPE-UHFFFAOYSA-N -1 1 310.383 0.890 20 0 DCADMM COC[C@H](C)CC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001606793384 1170291815 /nfs/dbraw/zinc/29/18/15/1170291815.db2.gz NAIHOYZGQRUFBJ-IUODEOHRSA-N -1 1 314.382 0.047 20 0 DCADMM O=C(NCC[C@@H]1CCCC[C@@H]1O)c1ccc(-c2nnn[n-]2)nc1 ZINC001606794236 1170293339 /nfs/dbraw/zinc/29/33/39/1170293339.db2.gz JSQWQMVYMKISGD-GWCFXTLKSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NCC[C@@H]1CCCC[C@@H]1O)c1ccc(-c2nn[n-]n2)nc1 ZINC001606794236 1170293343 /nfs/dbraw/zinc/29/33/43/1170293343.db2.gz JSQWQMVYMKISGD-GWCFXTLKSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NCCn1cncn1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606802877 1170294981 /nfs/dbraw/zinc/29/49/81/1170294981.db2.gz RXTQLUXRICPPBQ-UHFFFAOYSA-N -1 1 302.273 0.027 20 0 DCADMM O=C(NCCn1cncn1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606802877 1170294988 /nfs/dbraw/zinc/29/49/88/1170294988.db2.gz RXTQLUXRICPPBQ-UHFFFAOYSA-N -1 1 302.273 0.027 20 0 DCADMM COCC[C@H](NC(=O)c1ccc(Cc2nc[nH]n2)cc1)C(=O)[O-] ZINC001606856885 1170315842 /nfs/dbraw/zinc/31/58/42/1170315842.db2.gz NYIJPFFTQNSQMU-LBPRGKRZSA-N -1 1 318.333 0.615 20 0 DCADMM O=C(N[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606879502 1170321248 /nfs/dbraw/zinc/32/12/48/1170321248.db2.gz OCLLDSVIUJGDPN-ZETCQYMHSA-N -1 1 308.729 0.824 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CC(c2ccccc2)=NO1 ZINC001606892575 1170323687 /nfs/dbraw/zinc/32/36/87/1170323687.db2.gz PLNDJHSZYRTGDW-NSHDSACASA-N -1 1 324.304 0.722 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CC(c2ccccc2)=NO1 ZINC001606892575 1170323694 /nfs/dbraw/zinc/32/36/94/1170323694.db2.gz PLNDJHSZYRTGDW-NSHDSACASA-N -1 1 324.304 0.722 20 0 DCADMM O=C(OC1CCS(=O)(=O)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606963308 1170339770 /nfs/dbraw/zinc/33/97/70/1170339770.db2.gz AHYBMKGSTHXMLV-UHFFFAOYSA-N -1 1 312.307 0.194 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CC=C[C@@H]1CO ZINC001607006866 1170353071 /nfs/dbraw/zinc/35/30/71/1170353071.db2.gz OFZZGCBLGIMPFL-MRVPVSSYSA-N -1 1 307.260 0.518 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CC=C[C@@H]1CO ZINC001607006866 1170353075 /nfs/dbraw/zinc/35/30/75/1170353075.db2.gz OFZZGCBLGIMPFL-MRVPVSSYSA-N -1 1 307.260 0.518 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@]2(CCOC2=O)C1 ZINC001607022646 1170359393 /nfs/dbraw/zinc/35/93/93/1170359393.db2.gz ZNERHUQARGALKS-AWEZNQCLSA-N -1 1 314.305 0.041 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@]2(CCOC2=O)C1 ZINC001607022646 1170359399 /nfs/dbraw/zinc/35/93/99/1170359399.db2.gz ZNERHUQARGALKS-AWEZNQCLSA-N -1 1 314.305 0.041 20 0 DCADMM O=Cc1ccc(F)c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001607056816 1170373989 /nfs/dbraw/zinc/37/39/89/1170373989.db2.gz RDKJLKVUIFLTAS-UHFFFAOYSA-N -1 1 301.241 0.794 20 0 DCADMM O=Cc1ccc(F)c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001607056816 1170373990 /nfs/dbraw/zinc/37/39/90/1170373990.db2.gz RDKJLKVUIFLTAS-UHFFFAOYSA-N -1 1 301.241 0.794 20 0 DCADMM O=S(=O)(NC(C1CC1)C1CC1)c1cccnc1-c1nn[n-]n1 ZINC001607063157 1170376899 /nfs/dbraw/zinc/37/68/99/1170376899.db2.gz NTXYQBRANPGXLR-UHFFFAOYSA-N -1 1 320.378 0.729 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@@H]1COc2ccccc2O1 ZINC001607090145 1170385737 /nfs/dbraw/zinc/38/57/37/1170385737.db2.gz YFVCYNNOPNRRPJ-SECBINFHSA-N -1 1 312.289 0.263 20 0 DCADMM O=c1[n-]nc([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)nn3)C2)o1 ZINC001607088165 1170385881 /nfs/dbraw/zinc/38/58/81/1170385881.db2.gz GQJKUJAZSMOFTR-SSDOTTSWSA-N -1 1 315.297 0.129 20 0 DCADMM O=c1[nH]c2c(cc1CNc1cc(-c3nnn[n-]3)ncn1)CCC2 ZINC001607088199 1170387379 /nfs/dbraw/zinc/38/73/79/1170387379.db2.gz GZTRWZYQYGYSDX-UHFFFAOYSA-N -1 1 310.321 0.858 20 0 DCADMM O=c1[nH]c2c(cc1CNc1cc(-c3nn[n-]n3)ncn1)CCC2 ZINC001607088199 1170387387 /nfs/dbraw/zinc/38/73/87/1170387387.db2.gz GZTRWZYQYGYSDX-UHFFFAOYSA-N -1 1 310.321 0.858 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cccc2c1OCCO2 ZINC001607090959 1170389090 /nfs/dbraw/zinc/38/90/90/1170389090.db2.gz FBHJPBHQSWGJQJ-UHFFFAOYSA-N -1 1 312.289 0.243 20 0 DCADMM OCCn1cc(Nc2nc(Cl)c(-c3nnn[n-]3)s2)cn1 ZINC001607107025 1170399926 /nfs/dbraw/zinc/39/99/26/1170399926.db2.gz NFZTYQSPDZQZHD-UHFFFAOYSA-N -1 1 312.746 0.909 20 0 DCADMM OCCn1cc(Nc2nc(Cl)c(-c3nn[n-]n3)s2)cn1 ZINC001607107025 1170399930 /nfs/dbraw/zinc/39/99/30/1170399930.db2.gz NFZTYQSPDZQZHD-UHFFFAOYSA-N -1 1 312.746 0.909 20 0 DCADMM OCc1nnc(Sc2cc(-c3nnn[n-]3)ncn2)n1C1CC1 ZINC001607108625 1170400209 /nfs/dbraw/zinc/40/02/09/1170400209.db2.gz PDTVQAQYIZEWBW-UHFFFAOYSA-N -1 1 317.338 0.227 20 0 DCADMM OCc1nnc(Sc2cc(-c3nn[n-]n3)ncn2)n1C1CC1 ZINC001607108625 1170400212 /nfs/dbraw/zinc/40/02/12/1170400212.db2.gz PDTVQAQYIZEWBW-UHFFFAOYSA-N -1 1 317.338 0.227 20 0 DCADMM c1cc([C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)ncn1 ZINC001607117885 1170403932 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CN(Cc1ccc(C(N)=O)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001609278443 1170908956 /nfs/dbraw/zinc/90/89/56/1170908956.db2.gz LBMHZXLCEBAKAO-UHFFFAOYSA-N -1 1 309.333 0.997 20 0 DCADMM CN(Cc1ccc(C(N)=O)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001609278443 1170908961 /nfs/dbraw/zinc/90/89/61/1170908961.db2.gz LBMHZXLCEBAKAO-UHFFFAOYSA-N -1 1 309.333 0.997 20 0 DCADMM CN1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)c2cccnc21 ZINC001609284810 1170910603 /nfs/dbraw/zinc/91/06/03/1170910603.db2.gz GCPNGANGSWEIOG-UHFFFAOYSA-N -1 1 322.332 0.753 20 0 DCADMM CN1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)c2cccnc21 ZINC001609284810 1170910607 /nfs/dbraw/zinc/91/06/07/1170910607.db2.gz GCPNGANGSWEIOG-UHFFFAOYSA-N -1 1 322.332 0.753 20 0 DCADMM CNC(=O)CCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001609287783 1170916072 /nfs/dbraw/zinc/91/60/72/1170916072.db2.gz FRXBWRBWMNMCFE-UHFFFAOYSA-N -1 1 304.310 0.427 20 0 DCADMM COC(=O)C1=C(C)O[C@H](Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001609295493 1170920473 /nfs/dbraw/zinc/92/04/73/1170920473.db2.gz DWSGRTUUTLCXCD-VIFPVBQESA-N -1 1 317.305 0.264 20 0 DCADMM COC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001609300205 1170922709 /nfs/dbraw/zinc/92/27/09/1170922709.db2.gz IYSRUXYVTUTVHA-MRVPVSSYSA-N -1 1 304.314 0.299 20 0 DCADMM COC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001609300205 1170922711 /nfs/dbraw/zinc/92/27/11/1170922711.db2.gz IYSRUXYVTUTVHA-MRVPVSSYSA-N -1 1 304.314 0.299 20 0 DCADMM COC(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)o1 ZINC001609303181 1170924444 /nfs/dbraw/zinc/92/44/44/1170924444.db2.gz FJIIXDGLVIDJQT-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM COC(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)o1 ZINC001609303181 1170924451 /nfs/dbraw/zinc/92/44/51/1170924451.db2.gz FJIIXDGLVIDJQT-UHFFFAOYSA-N -1 1 301.266 0.648 20 0 DCADMM COC(=O)c1cccc(C(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC001609304206 1170924577 /nfs/dbraw/zinc/92/45/77/1170924577.db2.gz JDGVVYBKWWDRKI-UHFFFAOYSA-N -1 1 312.289 0.733 20 0 DCADMM COC(=O)c1cccc(C(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC001609304206 1170924580 /nfs/dbraw/zinc/92/45/80/1170924580.db2.gz JDGVVYBKWWDRKI-UHFFFAOYSA-N -1 1 312.289 0.733 20 0 DCADMM COC1(CCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCC1 ZINC001609312323 1170929336 /nfs/dbraw/zinc/92/93/36/1170929336.db2.gz BRGDPVHYLMTIJE-UHFFFAOYSA-N -1 1 320.353 0.781 20 0 DCADMM COC1(CCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCC1 ZINC001609312323 1170929342 /nfs/dbraw/zinc/92/93/42/1170929342.db2.gz BRGDPVHYLMTIJE-UHFFFAOYSA-N -1 1 320.353 0.781 20 0 DCADMM COCCC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001609322232 1170934464 /nfs/dbraw/zinc/93/44/64/1170934464.db2.gz IRFZWRUMNFVNHD-UHFFFAOYSA-N -1 1 302.338 0.760 20 0 DCADMM COCCC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001609322232 1170934469 /nfs/dbraw/zinc/93/44/69/1170934469.db2.gz IRFZWRUMNFVNHD-UHFFFAOYSA-N -1 1 302.338 0.760 20 0 DCADMM COCC1=CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609320122 1170934669 /nfs/dbraw/zinc/93/46/69/1170934669.db2.gz YFMBUEZDXYVAQK-UHFFFAOYSA-N -1 1 300.322 0.680 20 0 DCADMM COCC1=CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001609320122 1170934672 /nfs/dbraw/zinc/93/46/72/1170934672.db2.gz YFMBUEZDXYVAQK-UHFFFAOYSA-N -1 1 300.322 0.680 20 0 DCADMM COC[C@H](CO)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001609330211 1170943536 /nfs/dbraw/zinc/94/35/36/1170943536.db2.gz CIUQYMVXKWUWQS-VIFPVBQESA-N -1 1 300.322 0.834 20 0 DCADMM COC[C@H](CO)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001609330211 1170943543 /nfs/dbraw/zinc/94/35/43/1170943543.db2.gz CIUQYMVXKWUWQS-VIFPVBQESA-N -1 1 300.322 0.834 20 0 DCADMM COc1ccc(C=O)cc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609354271 1170946666 /nfs/dbraw/zinc/94/66/66/1170946666.db2.gz VEFFFSICRIRUBW-UHFFFAOYSA-N -1 1 311.301 0.898 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001609377050 1170953745 /nfs/dbraw/zinc/95/37/45/1170953745.db2.gz UFSQAOYXHXEXDI-UHFFFAOYSA-N -1 1 315.293 0.621 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@H](C)O ZINC001609378240 1170957887 /nfs/dbraw/zinc/95/78/87/1170957887.db2.gz RKLYTPOMKDGAJX-ZETCQYMHSA-N -1 1 321.337 0.441 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CC3(CC3)C(=O)O2)c1 ZINC001609386558 1170958730 /nfs/dbraw/zinc/95/87/30/1170958730.db2.gz OZTQSMPRDYBIBB-VIFPVBQESA-N -1 1 301.306 0.433 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2csc(=O)[nH]2)n1 ZINC001609392095 1170962644 /nfs/dbraw/zinc/96/26/44/1170962644.db2.gz GTMUGFSHFICDDA-UHFFFAOYSA-N -1 1 304.339 0.782 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2csc(=O)[nH]2)n1 ZINC001609392095 1170962649 /nfs/dbraw/zinc/96/26/49/1170962649.db2.gz GTMUGFSHFICDDA-UHFFFAOYSA-N -1 1 304.339 0.782 20 0 DCADMM Cc1cc(N2CCc3nn(C)c(=O)cc3C2)cc(-c2nnn[n-]2)n1 ZINC001609405566 1170967248 /nfs/dbraw/zinc/96/72/48/1170967248.db2.gz PUFABFNGIAZAEC-UHFFFAOYSA-N -1 1 324.348 0.227 20 0 DCADMM Cc1cc(N2CCc3nn(C)c(=O)cc3C2)cc(-c2nn[n-]n2)n1 ZINC001609405566 1170967254 /nfs/dbraw/zinc/96/72/54/1170967254.db2.gz PUFABFNGIAZAEC-UHFFFAOYSA-N -1 1 324.348 0.227 20 0 DCADMM Cc1cc(NCCNc2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001609409368 1170969010 /nfs/dbraw/zinc/96/90/10/1170969010.db2.gz IRWLGOHNBGSPBW-UHFFFAOYSA-N -1 1 300.330 0.223 20 0 DCADMM Cc1cc(NCCNc2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001609409368 1170969019 /nfs/dbraw/zinc/96/90/19/1170969019.db2.gz IRWLGOHNBGSPBW-UHFFFAOYSA-N -1 1 300.330 0.223 20 0 DCADMM Cc1[nH]nc(NCc2cn(C(C)(C)C)nn2)c1-c1nnn[n-]1 ZINC001609444926 1170979126 /nfs/dbraw/zinc/97/91/26/1170979126.db2.gz ZVEAYVDXPUSXSS-UHFFFAOYSA-N -1 1 302.346 0.857 20 0 DCADMM Cc1[nH]nc(NCc2cn(C(C)(C)C)nn2)c1-c1nn[n-]n1 ZINC001609444926 1170979130 /nfs/dbraw/zinc/97/91/30/1170979130.db2.gz ZVEAYVDXPUSXSS-UHFFFAOYSA-N -1 1 302.346 0.857 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cnn(C)n2)n1 ZINC001609449027 1170980319 /nfs/dbraw/zinc/98/03/19/1170980319.db2.gz JFOSPJRBTBLKOU-UHFFFAOYSA-N -1 1 303.355 0.694 20 0 DCADMM Cc1nn(C)c(C)c1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609458311 1170985547 /nfs/dbraw/zinc/98/55/47/1170985547.db2.gz HNRVJOZUSWDLDL-QMMMGPOBSA-N -1 1 316.329 0.008 20 0 DCADMM Cc1nn(C[C@H]2CCO[C@@H](C)C2)c(=O)c(-c2nn[n-]n2)c1C ZINC001609459320 1170985922 /nfs/dbraw/zinc/98/59/22/1170985922.db2.gz AQBHOXKEPXIZBZ-KWQFWETISA-N -1 1 304.354 0.855 20 0 DCADMM Cc1nsc(NC(=O)N2CCO[C@@H]3C[C@@H]32)c1-c1nnn[n-]1 ZINC001609465904 1170986630 /nfs/dbraw/zinc/98/66/30/1170986630.db2.gz VWKOWVNMXQGIOT-NKWVEPMBSA-N -1 1 307.339 0.637 20 0 DCADMM Cc1nsc(NC(=O)N2CCO[C@@H]3C[C@@H]32)c1-c1nn[n-]n1 ZINC001609465904 1170986635 /nfs/dbraw/zinc/98/66/35/1170986635.db2.gz VWKOWVNMXQGIOT-NKWVEPMBSA-N -1 1 307.339 0.637 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H](O)COC(C)C ZINC001609468517 1170989765 /nfs/dbraw/zinc/98/97/65/1170989765.db2.gz XSUXPVMNIXITOA-VIFPVBQESA-N -1 1 310.310 0.711 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H](O)COC(C)C ZINC001609468517 1170989770 /nfs/dbraw/zinc/98/97/70/1170989770.db2.gz XSUXPVMNIXITOA-VIFPVBQESA-N -1 1 310.310 0.711 20 0 DCADMM Clc1cnn([C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001609474678 1170990050 /nfs/dbraw/zinc/99/00/50/1170990050.db2.gz MVMUQJBKDANHGW-SECBINFHSA-N -1 1 317.744 0.958 20 0 DCADMM Clc1cnn([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001609474678 1170990056 /nfs/dbraw/zinc/99/00/56/1170990056.db2.gz MVMUQJBKDANHGW-SECBINFHSA-N -1 1 317.744 0.958 20 0 DCADMM Cn1ncc(CCCOC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001609482192 1170993630 /nfs/dbraw/zinc/99/36/30/1170993630.db2.gz MWEJNJUYPGPGSM-UHFFFAOYSA-N -1 1 314.309 0.180 20 0 DCADMM Cn1ncc(CCCOC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001609482192 1170993634 /nfs/dbraw/zinc/99/36/34/1170993634.db2.gz MWEJNJUYPGPGSM-UHFFFAOYSA-N -1 1 314.309 0.180 20 0 DCADMM Cn1cc(OC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)cn1 ZINC001609479802 1170994536 /nfs/dbraw/zinc/99/45/36/1170994536.db2.gz PEJCPRSQMLFGOE-UHFFFAOYSA-N -1 1 305.685 0.868 20 0 DCADMM NC(=O)c1sccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609505764 1171004562 /nfs/dbraw/zinc/00/45/62/1171004562.db2.gz KLELWLYLLCFSEK-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM NC(=O)c1sccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609505764 1171004569 /nfs/dbraw/zinc/00/45/69/1171004569.db2.gz KLELWLYLLCFSEK-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM O=C(COC[C@@H]1CCCO1)OCc1cccnc1-c1nnn[n-]1 ZINC001609530122 1171008873 /nfs/dbraw/zinc/00/88/73/1171008873.db2.gz UAYYUPAFCYXDGA-NSHDSACASA-N -1 1 319.321 0.501 20 0 DCADMM O=C(COC[C@@H]1CCCO1)OCc1cccnc1-c1nn[n-]n1 ZINC001609530122 1171008878 /nfs/dbraw/zinc/00/88/78/1171008878.db2.gz UAYYUPAFCYXDGA-NSHDSACASA-N -1 1 319.321 0.501 20 0 DCADMM O=C(NCc1ccc2c(c1)OCO2)c1ccnc(-c2nnn[n-]2)c1 ZINC001609555759 1171021363 /nfs/dbraw/zinc/02/13/63/1171021363.db2.gz PZDAWFSAQLRJDM-UHFFFAOYSA-N -1 1 324.300 0.920 20 0 DCADMM O=C(NCc1ccc2c(c1)OCO2)c1ccnc(-c2nn[n-]n2)c1 ZINC001609555759 1171021369 /nfs/dbraw/zinc/02/13/69/1171021369.db2.gz PZDAWFSAQLRJDM-UHFFFAOYSA-N -1 1 324.300 0.920 20 0 DCADMM OCCCN(Cc1ccccn1)c1ccc(-c2nnn[n-]2)nn1 ZINC001609610763 1171044927 /nfs/dbraw/zinc/04/49/27/1171044927.db2.gz RHDBUPGOMUNKNT-UHFFFAOYSA-N -1 1 312.337 0.441 20 0 DCADMM OCCCN(Cc1ccccn1)c1ccc(-c2nn[n-]n2)nn1 ZINC001609610763 1171044934 /nfs/dbraw/zinc/04/49/34/1171044934.db2.gz RHDBUPGOMUNKNT-UHFFFAOYSA-N -1 1 312.337 0.441 20 0 DCADMM C[C@@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)NC(=O)NC1CCCCC1 ZINC001609776503 1171081601 /nfs/dbraw/zinc/08/16/01/1171081601.db2.gz RZZASKQXZMQINR-BXKDBHETSA-N -1 1 311.382 0.986 20 0 DCADMM C[C@H]1CCCN1C(=O)CCN1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001609856879 1171105491 /nfs/dbraw/zinc/10/54/91/1171105491.db2.gz WWDWRDGMNBNEKY-JTQLQIEISA-N -1 1 306.366 0.867 20 0 DCADMM C[C@H]1CN(C(=O)c2cnn(CCF)c2)CCN1CCC(=O)[O-] ZINC001609866521 1171107621 /nfs/dbraw/zinc/10/76/21/1171107621.db2.gz GYAFWTQGHNQLJK-NSHDSACASA-N -1 1 312.345 0.474 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N(C)C1CCOCC1 ZINC001609867623 1171108268 /nfs/dbraw/zinc/10/82/68/1171108268.db2.gz MEPQWSZJTIHUKA-LBPRGKRZSA-N -1 1 313.398 0.698 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001609870466 1171109609 /nfs/dbraw/zinc/10/96/09/1171109609.db2.gz IMCCHKPPMMIPIJ-LLVKDONJSA-N -1 1 318.377 0.975 20 0 DCADMM 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CCn1nncc1CNCC=CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001699249362 1177982000 /nfs/dbraw/zinc/98/20/00/1177982000.db2.gz PMVNGOZPMWXEFF-PLNGDYQASA-N -1 1 319.369 0.111 20 0 DCADMM O=C(NCC1(O)CN(CCCCCF)C1)c1ncccc1[O-] ZINC001699912596 1178370039 /nfs/dbraw/zinc/37/00/39/1178370039.db2.gz QRMAFINQKYQWEN-UHFFFAOYSA-N -1 1 311.357 0.704 20 0 DCADMM O=C(Cc1ccco1)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001700082849 1178472222 /nfs/dbraw/zinc/47/22/22/1178472222.db2.gz KAOOFBBAFVSGOX-LLVKDONJSA-N -1 1 319.365 0.674 20 0 DCADMM C[C@H](C(=O)NCC1=CCN(Cc2nc(=O)n(C)[n-]2)CC1)C1CC1 ZINC001701045215 1178904227 /nfs/dbraw/zinc/90/42/27/1178904227.db2.gz TUVNMTDUWQFVNQ-NSHDSACASA-N -1 1 319.409 0.403 20 0 DCADMM C[C@H]1CC[C@H](CCC(=O)NCCNC(=O)c2ncccc2[O-])O1 ZINC001703156923 1179352120 /nfs/dbraw/zinc/35/21/20/1179352120.db2.gz SSEYELVDAVIRNE-NWDGAFQWSA-N -1 1 321.377 0.981 20 0 DCADMM C[C@H]1COCC[C@H]1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001703351728 1179492479 /nfs/dbraw/zinc/49/24/79/1179492479.db2.gz 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ZINC001714262203 1181297726 /nfs/dbraw/zinc/29/77/26/1181297726.db2.gz RIAMMUVOORRZOJ-QMMMGPOBSA-N -1 1 315.337 0.295 20 0 DCADMM C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C=C1CCCCC1 ZINC001716012343 1182145252 /nfs/dbraw/zinc/14/52/52/1182145252.db2.gz AWQPFSZYEFJDRO-GFCCVEGCSA-N -1 1 321.425 0.935 20 0 DCADMM C=C/C(C)=C\CC(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001716746833 1182512393 /nfs/dbraw/zinc/51/23/93/1182512393.db2.gz OJAYCXKCKFJYBX-WDZFZDKYSA-N -1 1 305.382 0.273 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCOCCNC(=O)c1ncccc1[O-] ZINC001718469293 1183232722 /nfs/dbraw/zinc/23/27/22/1183232722.db2.gz SMVLZFDCJXIAQG-UUILKARUSA-N -1 1 321.377 0.958 20 0 DCADMM CCN(CCCNC(=O)[C@@H]1CCOC1)C(=O)c1ncccc1[O-] ZINC001720591754 1183664220 /nfs/dbraw/zinc/66/42/20/1183664220.db2.gz ULKXSRUBPFJUHB-GFCCVEGCSA-N -1 1 321.377 0.792 20 0 DCADMM O=C(NC/C=C/CNC(=O)c1ncccc1[O-])c1cc[nH]c1 ZINC001721837857 1184071264 /nfs/dbraw/zinc/07/12/64/1184071264.db2.gz FFFLZTPSJRUQCZ-OWOJBTEDSA-N -1 1 300.318 0.831 20 0 DCADMM CCO[C@H](C)C(=O)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001724698137 1184527481 /nfs/dbraw/zinc/52/74/81/1184527481.db2.gz XBJINTPVWZJAKA-GHMZBOCLSA-N -1 1 311.386 0.264 20 0 DCADMM CCN(CCNC(=O)[C@]1(C)C=CCC1)Cc1nc(=O)n(C)[n-]1 ZINC001731809988 1185498934 /nfs/dbraw/zinc/49/89/34/1185498934.db2.gz YOVDEBVHAYGFLP-OAHLLOKOSA-N -1 1 307.398 0.403 20 0 DCADMM C=C/C(C)=C\CC(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001731836225 1185516996 /nfs/dbraw/zinc/51/69/96/1185516996.db2.gz ZPIRQZHIIKTNAJ-OTAKNEKHSA-N -1 1 319.409 0.711 20 0 DCADMM O=C(CCOCC1CC1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001733341655 1186234734 /nfs/dbraw/zinc/23/47/34/1186234734.db2.gz GHPVSIJHICZIKU-LBPRGKRZSA-N -1 1 323.397 0.408 20 0 DCADMM Cn1[n-]c(CN2CC[C@](C)(NC(=O)/C=C/C(C)(C)C)C2)nc1=O ZINC001733399844 1186255877 /nfs/dbraw/zinc/25/58/77/1186255877.db2.gz VKOOPUNIOBOPEM-MOEXGYKKSA-N -1 1 321.425 0.791 20 0 DCADMM O=C(C1CC=CC1)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001733641591 1186387047 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/nfs/dbraw/zinc/51/53/96/945515396.db2.gz OYPVTQWEZZPSAV-UHFFFAOYSA-N -1 1 319.350 0.371 20 0 DCADMM Cc1cccc(C)c1-n1nnnc1CS(=O)(=O)c1nc[n-]n1 ZINC001319192334 945515403 /nfs/dbraw/zinc/51/54/03/945515403.db2.gz OYPVTQWEZZPSAV-UHFFFAOYSA-N -1 1 319.350 0.371 20 0 DCADMM Cc1c(C(=O)[N-]S(=O)(=O)c2ccnn2C)ccc2cncn21 ZINC001320377738 945847797 /nfs/dbraw/zinc/84/77/97/945847797.db2.gz BUZPOZBHAFUDMM-UHFFFAOYSA-N -1 1 319.346 0.495 20 0 DCADMM CC(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001573453829 945868584 /nfs/dbraw/zinc/86/85/84/945868584.db2.gz RAWVBEPFCKAWBJ-AOOOYVTPSA-N -1 1 319.394 0.546 20 0 DCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC001320416540 945870520 /nfs/dbraw/zinc/87/05/20/945870520.db2.gz FMHAISMTKNTKLL-UHFFFAOYSA-N -1 1 313.277 0.110 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ccc(-n2cncn2)nc1)c1nn[n-]n1 ZINC001320435858 945874385 /nfs/dbraw/zinc/87/43/85/945874385.db2.gz CHRIZTIXMCKGMT-VIFPVBQESA-N -1 1 313.325 0.051 20 0 DCADMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCc1nnc[nH]1 ZINC001364814610 945928310 /nfs/dbraw/zinc/92/83/10/945928310.db2.gz MPFNOPKHRPTKIY-SFHVURJKSA-N -1 1 309.417 0.078 20 0 DCADMM C[C@@](O)(C[NH2+]CCP(=O)([O-])[O-])C(=O)OCc1ccccc1 ZINC001253657056 946152309 /nfs/dbraw/zinc/15/23/09/946152309.db2.gz YIXDMTWUGDZTBO-CYBMUJFWSA-N -1 1 317.278 0.248 20 0 DCADMM CN(C(=O)Cc1ccoc1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001410310702 946156321 /nfs/dbraw/zinc/15/63/21/946156321.db2.gz MPACZYUCKMJOLE-GFCCVEGCSA-N -1 1 319.365 0.673 20 0 DCADMM CC(C(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1)=C1CCCC1 ZINC001278744446 946200234 /nfs/dbraw/zinc/20/02/34/946200234.db2.gz ULTWPGRBMVXJJH-LBPRGKRZSA-N -1 1 323.397 0.310 20 0 DCADMM CC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573497329 946349643 /nfs/dbraw/zinc/34/96/43/946349643.db2.gz QFXAOHNVGQVYBJ-LURJTMIESA-N -1 1 313.774 0.691 20 0 DCADMM CC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573497329 946349656 /nfs/dbraw/zinc/34/96/56/946349656.db2.gz QFXAOHNVGQVYBJ-LURJTMIESA-N -1 1 313.774 0.691 20 0 DCADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)C1(CO)COC1 ZINC001321596431 946395206 /nfs/dbraw/zinc/39/52/06/946395206.db2.gz BPNZXXHAFLEKFK-UHFFFAOYSA-N -1 1 306.270 0.551 20 0 DCADMM CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCP(=O)([O-])[O-])C2 ZINC001255182175 946475410 /nfs/dbraw/zinc/47/54/10/946475410.db2.gz CSQRKWLXPVZYCK-RTCCRHLQSA-N -1 1 306.299 0.906 20 0 DCADMM CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC[P@](=O)([O-])O)C2 ZINC001255182175 946475404 /nfs/dbraw/zinc/47/54/04/946475404.db2.gz CSQRKWLXPVZYCK-RTCCRHLQSA-N -1 1 306.299 0.906 20 0 DCADMM O=[P@]([O-])(O)CCNS(=O)(=O)c1ccc(F)cc1F ZINC001256094651 946587292 /nfs/dbraw/zinc/58/72/92/946587292.db2.gz PHGJZZWRZKOGMO-UHFFFAOYSA-N -1 1 301.207 0.421 20 0 DCADMM CC(C)CO[N-]C(=O)C(=O)NCCN(C)Cc1ccccc1 ZINC001322385774 946665039 /nfs/dbraw/zinc/66/50/39/946665039.db2.gz COAIRGIKRQPRDG-UHFFFAOYSA-N -1 1 307.394 0.938 20 0 DCADMM CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573529774 946678653 /nfs/dbraw/zinc/67/86/53/946678653.db2.gz HZFFCWQXGBAKEV-LBPRGKRZSA-N -1 1 324.348 0.946 20 0 DCADMM CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573529774 946678659 /nfs/dbraw/zinc/67/86/59/946678659.db2.gz HZFFCWQXGBAKEV-LBPRGKRZSA-N -1 1 324.348 0.946 20 0 DCADMM CC(=O)NCC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001573530149 946688811 /nfs/dbraw/zinc/68/88/11/946688811.db2.gz UTTJXLZFDVDWNH-SNVBAGLBSA-N -1 1 304.358 0.041 20 0 DCADMM CC(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573530558 946699205 /nfs/dbraw/zinc/69/92/05/946699205.db2.gz VGKRZLJARKVHIR-CQSZACIVSA-N -1 1 316.369 0.399 20 0 DCADMM CC(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573530558 946699210 /nfs/dbraw/zinc/69/92/10/946699210.db2.gz VGKRZLJARKVHIR-CQSZACIVSA-N -1 1 316.369 0.399 20 0 DCADMM CC(=O)NCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573533135 946707949 /nfs/dbraw/zinc/70/79/49/946707949.db2.gz ITODCZFHDVOXSU-UHFFFAOYSA-N -1 1 324.348 0.905 20 0 DCADMM CC(=O)NCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573533135 946707959 /nfs/dbraw/zinc/70/79/59/946707959.db2.gz ITODCZFHDVOXSU-UHFFFAOYSA-N -1 1 324.348 0.905 20 0 DCADMM CC(=O)N[C@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573540377 946775625 /nfs/dbraw/zinc/77/56/25/946775625.db2.gz BSKRDRVRFLBHML-SCSAIBSYSA-N -1 1 301.763 0.913 20 0 DCADMM CC(=O)N[C@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573540377 946775634 /nfs/dbraw/zinc/77/56/34/946775634.db2.gz BSKRDRVRFLBHML-SCSAIBSYSA-N -1 1 301.763 0.913 20 0 DCADMM CC(=O)Nc1nc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cs1 ZINC001573548934 946861634 /nfs/dbraw/zinc/86/16/34/946861634.db2.gz XLRCISGYNSMWRK-UHFFFAOYSA-N -1 1 319.310 0.257 20 0 DCADMM CC(=O)Nc1nc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cs1 ZINC001573548934 946861647 /nfs/dbraw/zinc/86/16/47/946861647.db2.gz XLRCISGYNSMWRK-UHFFFAOYSA-N -1 1 319.310 0.257 20 0 DCADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1cn(C)cn1)c1ccccc1 ZINC001259002659 946885717 /nfs/dbraw/zinc/88/57/17/946885717.db2.gz NTBYJLHMECHCHY-CQSZACIVSA-N -1 1 323.374 0.787 20 0 DCADMM CCC1CCC([N-]S(=O)(=O)CC(=O)OC)(C(=O)OC)CC1 ZINC001259031288 946904405 /nfs/dbraw/zinc/90/44/05/946904405.db2.gz JEVQOAQLDOZCNJ-UHFFFAOYSA-N -1 1 321.395 0.591 20 0 DCADMM O=C(c1ccc([N-]S(=O)(=O)C2CC2)nc1)N1CCOCC1 ZINC001259269996 946934909 /nfs/dbraw/zinc/93/49/09/946934909.db2.gz KZTDTPWGRDSGIX-UHFFFAOYSA-N -1 1 311.363 0.458 20 0 DCADMM O=C1NCCN1CC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259452869 946959153 /nfs/dbraw/zinc/95/91/53/946959153.db2.gz ZTXCHWGZPMDYDS-UHFFFAOYSA-N -1 1 321.761 0.783 20 0 DCADMM O=S(=O)([N-][C@@H]1COCCC12OCCO2)C1CCCCC1 ZINC001259816947 946986886 /nfs/dbraw/zinc/98/68/86/946986886.db2.gz KYFMYOSUEQLVMD-GFCCVEGCSA-N -1 1 305.396 0.771 20 0 DCADMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cnn(C)c1)C(=O)N2 ZINC001259827967 946992929 /nfs/dbraw/zinc/99/29/29/946992929.db2.gz AJGYRQVWGCEBLR-GFCCVEGCSA-N -1 1 306.347 0.700 20 0 DCADMM CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)OC)C(F)(F)F)cn1 ZINC001259840935 946998933 /nfs/dbraw/zinc/99/89/33/946998933.db2.gz KDSQPFYIQAGNSJ-ZETCQYMHSA-N -1 1 315.273 0.285 20 0 DCADMM Cc1cccc2c1[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)C(=O)N2 ZINC001259945528 947031208 /nfs/dbraw/zinc/03/12/08/947031208.db2.gz JOJSXVRZBYPJJP-GFCCVEGCSA-N -1 1 306.347 0.700 20 0 DCADMM COCCS(=O)(=O)[N-]c1cc(OC)cc(C(=O)OC)c1 ZINC001259971599 947043737 /nfs/dbraw/zinc/04/37/37/947043737.db2.gz BTUOEOYNPHNOMO-UHFFFAOYSA-N -1 1 303.336 0.870 20 0 DCADMM CN1CC[C@H]2CN(S(=O)(=O)c3cccc(C(=O)[O-])c3)C[C@H]21 ZINC001260188335 947081609 /nfs/dbraw/zinc/08/16/09/947081609.db2.gz OQETUSVNJISYHR-WCQYABFASA-N -1 1 310.375 0.709 20 0 DCADMM Cc1ncc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1C ZINC001260394230 947098861 /nfs/dbraw/zinc/09/88/61/947098861.db2.gz WFRLILCXNJAOSN-UHFFFAOYSA-N -1 1 311.319 0.933 20 0 DCADMM COC(=O)N1CCCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC001323593026 947139176 /nfs/dbraw/zinc/13/91/76/947139176.db2.gz IWRMDSOEXHEWIO-UHFFFAOYSA-N -1 1 306.318 0.876 20 0 DCADMM COCC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001410961369 947168716 /nfs/dbraw/zinc/16/87/16/947168716.db2.gz ONGVJAPMUUAGBU-GFCCVEGCSA-N -1 1 321.377 0.838 20 0 DCADMM CN(C[C@H](O)CNCc1n[nH]c(=O)[n-]1)C(=O)C1=CCCCCC1 ZINC001410994056 947214650 /nfs/dbraw/zinc/21/46/50/947214650.db2.gz VPJZRXUVULRFFT-GFCCVEGCSA-N -1 1 323.397 0.310 20 0 DCADMM CC[C@H](C)CC(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001493096898 947545889 /nfs/dbraw/zinc/54/58/89/947545889.db2.gz QFMORSCHXMVECC-RYUDHWBXSA-N -1 1 309.414 0.625 20 0 DCADMM O=C(COc1ccc(CO)cc1)NCCCC[P@](=O)([O-])O ZINC001179664291 947891016 /nfs/dbraw/zinc/89/10/16/947891016.db2.gz ZZKPZZMKIHWCFZ-UHFFFAOYSA-N -1 1 317.278 0.632 20 0 DCADMM CC(=O)N(C)c1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573408171 948063591 /nfs/dbraw/zinc/06/35/91/948063591.db2.gz CPQMFCILWMUPRU-UHFFFAOYSA-N -1 1 324.348 0.673 20 0 DCADMM O=C(C=C1CCC1)N1CC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001326243069 948105534 /nfs/dbraw/zinc/10/55/34/948105534.db2.gz ZMYWVAJOLZNIHA-LBPRGKRZSA-N -1 1 305.382 0.949 20 0 DCADMM CC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573438637 948236701 /nfs/dbraw/zinc/23/67/01/948236701.db2.gz DFTQYXZRVFBUNZ-WDEREUQCSA-N -1 1 314.353 0.104 20 0 DCADMM CC(=O)NCCN(Cc1ccc(Cl)nn1)[C@H](C)C(=O)[O-] ZINC001602758304 971476640 /nfs/dbraw/zinc/47/66/40/971476640.db2.gz BFMWTCIMERBHDZ-MRVPVSSYSA-N -1 1 300.746 0.541 20 0 DCADMM C=C/C(C)=C\CC(=O)N[C@@H](CO)CNC(=O)c1ncccc1[O-] ZINC001487976587 948398593 /nfs/dbraw/zinc/39/85/93/948398593.db2.gz JLWBXLIGIIZTHI-HUMZTAOYSA-N -1 1 319.361 0.517 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3C[C@H]4[C@@H](C3)C4(F)F)ccnc1-2 ZINC001327324961 948465810 /nfs/dbraw/zinc/46/58/10/948465810.db2.gz SBRQPMLZJRADQU-DTORHVGOSA-N -1 1 321.287 0.004 20 0 DCADMM CCC(C)(C)CC(=O)NC[C@H](CO)NC(=O)c1ncccc1[O-] ZINC001488003462 948469399 /nfs/dbraw/zinc/46/93/99/948469399.db2.gz FRNYBAQOAFMSCT-LLVKDONJSA-N -1 1 323.393 0.820 20 0 DCADMM CN(C)C(=O)CSc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001570917759 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CCCc1cc(=O)n2[n-]c(NC(=O)C[C@@H]3COC(=O)C3)nc2n1 ZINC001361588540 958112084 /nfs/dbraw/zinc/11/20/84/958112084.db2.gz QPXOSJCMVLIGHV-QMMMGPOBSA-N -1 1 319.321 0.262 20 0 DCADMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@H](C)S(C)(=O)=O)[n-]1 ZINC001361623482 958148121 /nfs/dbraw/zinc/14/81/21/958148121.db2.gz JUYWOUIDWZMLNS-ZETCQYMHSA-N -1 1 316.335 0.376 20 0 DCADMM NC(=O)c1ccc(CN(C(=O)CCc2nn[n-]n2)C2CC2)cc1 ZINC001361726400 958260147 /nfs/dbraw/zinc/26/01/47/958260147.db2.gz WFNDDAFBOIWHPX-UHFFFAOYSA-N -1 1 314.349 0.422 20 0 DCADMM Cc1c(C(=O)[O-])cc(CNC(C)(C)CS(C)(=O)=O)n1C ZINC000391417537 972335288 /nfs/dbraw/zinc/33/52/88/972335288.db2.gz PWAWCYJMEOIIQS-UHFFFAOYSA-N -1 1 302.396 0.945 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1cnc(C2CC2)[n-]c1=O ZINC001361798726 958342708 /nfs/dbraw/zinc/34/27/08/958342708.db2.gz PNYUFJMSVOQLCU-UHFFFAOYSA-N -1 1 300.322 0.916 20 0 DCADMM CN(C)c1nc(N)nc(C(=O)Nc2ccc([O-])c(F)c2F)n1 ZINC001297820122 958349518 /nfs/dbraw/zinc/34/95/18/958349518.db2.gz 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DCADMM CCC[C@H](NC(=O)C[C@H]1CCCS1(=O)=O)c1nn[n-]n1 ZINC001362068749 958687857 /nfs/dbraw/zinc/68/78/57/958687857.db2.gz GBUUYGHFNXAHEY-BDAKNGLRSA-N -1 1 301.372 0.124 20 0 DCADMM CC(C)C(=O)NC[C@H]1CCCN(C(=O)CCCc2nn[n-]n2)C1 ZINC001362111267 958754110 /nfs/dbraw/zinc/75/41/10/958754110.db2.gz RHHINZUNCDDYEV-GFCCVEGCSA-N -1 1 322.413 0.533 20 0 DCADMM CCc1cc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)[nH]n1 ZINC001367884847 958774369 /nfs/dbraw/zinc/77/43/69/958774369.db2.gz BONWFEZGEICRAY-NSHDSACASA-N -1 1 319.369 0.094 20 0 DCADMM CSc1nc(CNC(=O)[C@H](CC(C)C)C(N)=O)cc(=O)[n-]1 ZINC001299998332 958859990 /nfs/dbraw/zinc/85/99/90/958859990.db2.gz IAUPIMPJWUNBLY-SECBINFHSA-N -1 1 312.395 0.668 20 0 DCADMM CSc1ncc(C(=O)N[C@@H](C)CO[C@H]2CCOC2)c(=O)[n-]1 ZINC001362179015 958881563 /nfs/dbraw/zinc/88/15/63/958881563.db2.gz HUEZNGZTLKWWDR-IUCAKERBSA-N -1 1 313.379 0.828 20 0 DCADMM CC(C)NC(=O)CN1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001367933996 958897000 /nfs/dbraw/zinc/89/70/00/958897000.db2.gz 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Cc1n[nH]cc1C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001449901970 1014767189 /nfs/dbraw/zinc/76/71/89/1014767189.db2.gz LTJOFVACIVWOEK-VIFPVBQESA-N -1 1 317.349 0.709 20 0 DCADMM CC[C@@](C)(NCC(=O)NC1(C(=O)OC)CCCCC1)C(=O)[O-] ZINC001594849092 982084984 /nfs/dbraw/zinc/08/49/84/982084984.db2.gz RJVNLPKZCIKZBW-CQSZACIVSA-N -1 1 314.382 0.821 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@]1(C)C(=O)[O-])C(=O)[O-] ZINC001594889479 982281121 /nfs/dbraw/zinc/28/11/21/982281121.db2.gz DVUFZXVSYBEPEZ-DRCTWCGVSA-N -1 1 300.355 0.541 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@]1(C)C(=O)[O-])C(=O)[O-] ZINC001594889479 982281126 /nfs/dbraw/zinc/28/11/26/982281126.db2.gz DVUFZXVSYBEPEZ-DRCTWCGVSA-N -1 1 300.355 0.541 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](C(C)(C)O)C1)C(=O)[O-] ZINC001594889902 982283045 /nfs/dbraw/zinc/28/30/45/982283045.db2.gz FYYJVKNTFGJYEX-GVXVVHGQSA-N -1 1 300.399 0.695 20 0 DCADMM CC[C@@H](C)[C@H](NC(=O)CN1CC[C@@]2(CO)CCC[C@@H]12)C(=O)[O-] ZINC001594892727 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DCADMM CCN(CC(=O)NC(C)C)C(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC001596202813 983588939 /nfs/dbraw/zinc/58/89/39/983588939.db2.gz AKAOPCJSGBJBDE-HNNXBMFYSA-N -1 1 313.398 0.202 20 0 DCADMM CCN(C[C@@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)NCC(=O)[O-] ZINC001596237600 983636325 /nfs/dbraw/zinc/63/63/25/983636325.db2.gz PTVTVBIFPDXPAY-GXTWGEPZSA-N -1 1 308.378 0.940 20 0 DCADMM CCN(CCNC(=O)c1c[nH]c(C)n1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596335602 983781618 /nfs/dbraw/zinc/78/16/18/983781618.db2.gz SUBUPCHJJFKNJD-ZJUUUORDSA-N -1 1 308.338 0.017 20 0 DCADMM CCN1C[C@H](CN2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])OC1=O ZINC001596395874 983937257 /nfs/dbraw/zinc/93/72/57/983937257.db2.gz IHGRXAVQCKWAND-AXFHLTTASA-N -1 1 314.338 0.165 20 0 DCADMM CCN1C[C@@H](CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)OC1=O ZINC001596396012 983938848 /nfs/dbraw/zinc/93/88/48/983938848.db2.gz LTPXQOFACRZXFR-VHSXEESVSA-N -1 1 309.326 0.064 20 0 DCADMM CCN1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001596414893 984014216 /nfs/dbraw/zinc/01/42/16/984014216.db2.gz DYTZQWUWEKPRKJ-NEPJUHHUSA-N -1 1 316.423 0.882 20 0 DCADMM CCOC(=O)[C@H](CC(C)C)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001596527279 984342102 /nfs/dbraw/zinc/34/21/02/984342102.db2.gz XJYOQENURPDPBS-TUAOUCFPSA-N -1 1 315.366 0.770 20 0 DCADMM CC(=O)CCCC(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001524866831 1015059679 /nfs/dbraw/zinc/05/96/79/1015059679.db2.gz KOCJWSGERWCUQK-HAQNSBGRSA-N -1 1 319.361 0.924 20 0 DCADMM CNC(=O)[C@@]12CN(C(=O)c3cncc([O-])c3)C[C@H]1COCC2 ZINC001551429111 1015071854 /nfs/dbraw/zinc/07/18/54/1015071854.db2.gz BCTAFPHJAWQAML-NHYWBVRUSA-N -1 1 305.334 0.012 20 0 DCADMM CCOC(=O)c1[nH]nc(NC(=O)c2cc(C(=O)[O-])nn2C)c1C ZINC001596693558 984816044 /nfs/dbraw/zinc/81/60/44/984816044.db2.gz AYLVLWJQWCFMNI-UHFFFAOYSA-N -1 1 321.293 0.579 20 0 DCADMM CCOC(=O)c1ccc(CN2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)[nH]1 ZINC001596721082 984966173 /nfs/dbraw/zinc/96/61/73/984966173.db2.gz SEIWJQCFEXKNRX-WDEREUQCSA-N -1 1 324.333 0.497 20 0 DCADMM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1ncccc1[O-])C1CC1 ZINC001383907060 985187459 /nfs/dbraw/zinc/18/74/59/985187459.db2.gz VJLXRLHYZFQHRY-ONGXEEELSA-N -1 1 307.350 0.040 20 0 DCADMM CCO[C@H]1C[C@@](NC(=O)Cc2n[nH]c(C)n2)(C(=O)[O-])C1(C)C ZINC001596817646 985394307 /nfs/dbraw/zinc/39/43/07/985394307.db2.gz KGWMUERPKNGTBC-LKFCYVNXSA-N -1 1 310.354 0.430 20 0 DCADMM CN(C[C@H](O)CNC(=O)CC1CCC1)C(=O)c1ncccc1[O-] ZINC001384217581 985443377 /nfs/dbraw/zinc/44/33/77/985443377.db2.gz KMZPLLGVJBIDMR-GFCCVEGCSA-N -1 1 321.377 0.527 20 0 DCADMM CC[C@@H](CNC(=O)CCCC(N)=O)NC(=O)c1ncccc1[O-] ZINC001531275682 1015129416 /nfs/dbraw/zinc/12/94/16/1015129416.db2.gz QAQUZRWMUZTOBD-JTQLQIEISA-N -1 1 322.365 0.067 20 0 DCADMM CC[C@@H](CNC(=O)c1[nH]cnc1C)NC(=O)c1ncccc1[O-] ZINC001531298502 1015134178 /nfs/dbraw/zinc/13/41/78/1015134178.db2.gz GACUPSUYBCDDNE-JTQLQIEISA-N -1 1 317.349 0.757 20 0 DCADMM C[C@@H]1CN(CC(=O)NCCC(=O)[O-])CCN1Cc1ccccc1 ZINC001594508564 985752323 /nfs/dbraw/zinc/75/23/23/985752323.db2.gz XOXAJDSPPHVLCT-CQSZACIVSA-N -1 1 319.405 0.784 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCN1C(=O)c1ncccc1[O-] ZINC001384718674 985763177 /nfs/dbraw/zinc/76/31/77/985763177.db2.gz SKJBEYBZPQCKQH-MNOVXSKESA-N -1 1 321.377 0.667 20 0 DCADMM CC[C@H](CNC(=O)c1cccnn1)NC(=O)c1ncccc1[O-] ZINC001531427490 1015165752 /nfs/dbraw/zinc/16/57/52/1015165752.db2.gz VSYLHSCIIDOAIL-SNVBAGLBSA-N -1 1 315.333 0.516 20 0 DCADMM CO[C@H](C)C(=O)NC[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001525778384 1015171030 /nfs/dbraw/zinc/17/10/30/1015171030.db2.gz WDKCKZVREFGNHQ-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1CCSC1 ZINC001594516924 985922972 /nfs/dbraw/zinc/92/29/72/985922972.db2.gz WMMFOHQMGACVTI-WDEREUQCSA-N -1 1 301.412 0.682 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1CCCOCC1 ZINC001594517038 985927715 /nfs/dbraw/zinc/92/77/15/985927715.db2.gz YQLDLZYEMOARSU-OLZOCXBDSA-N -1 1 313.398 0.746 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NO[C@@H]1CCCCO1 ZINC001594518841 985932318 /nfs/dbraw/zinc/93/23/18/985932318.db2.gz DJSIOFZJFBAQEQ-WCQYABFASA-N -1 1 315.370 0.635 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001594519384 985951864 /nfs/dbraw/zinc/95/18/64/985951864.db2.gz SXMYPULIEHRSOW-YNEHKIRRSA-N -1 1 320.393 0.531 20 0 DCADMM CCOc1cc(C(=O)N2CCN[C@@H](C)C2)ccc1OCC(=O)[O-] ZINC001596999421 986306224 /nfs/dbraw/zinc/30/62/24/986306224.db2.gz TXWIORRUNSLZMZ-NSHDSACASA-N -1 1 322.361 0.983 20 0 DCADMM C[C@@H]1COCCN1C1CCN(Cc2cn(CC(=O)[O-])nn2)CC1 ZINC001594607727 986586355 /nfs/dbraw/zinc/58/63/55/986586355.db2.gz XZIOWFHLXSXGQB-GFCCVEGCSA-N -1 1 323.397 0.048 20 0 DCADMM C[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1ncccc1[O-] ZINC001386512257 987188948 /nfs/dbraw/zinc/18/89/48/987188948.db2.gz UXVLBAVRCPUMDG-VIFPVBQESA-N -1 1 301.306 0.126 20 0 DCADMM CO[C@H](C)CC(=O)NCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001386655366 987274736 /nfs/dbraw/zinc/27/47/36/987274736.db2.gz FQSLTQOMDWRTKY-GHMZBOCLSA-N -1 1 309.366 0.837 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)CC[C@H]1CCCO1 ZINC001386852767 987453848 /nfs/dbraw/zinc/45/38/48/987453848.db2.gz QWHZQIDQTIAWCN-GFCCVEGCSA-N -1 1 321.377 0.935 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)CCc1ccon1 ZINC001386853930 987454596 /nfs/dbraw/zinc/45/45/96/987454596.db2.gz XKVIMKBZJQJFOS-UHFFFAOYSA-N -1 1 318.333 0.596 20 0 DCADMM CO[C@H](C)C(=O)N(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001450705657 1015309195 /nfs/dbraw/zinc/30/91/95/1015309195.db2.gz QDWMKYLFMGZEAY-LLVKDONJSA-N -1 1 321.377 0.885 20 0 DCADMM Cc1c[nH]cc1C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001386891437 987484715 /nfs/dbraw/zinc/48/47/15/987484715.db2.gz UFOXDTQPBJICKT-UHFFFAOYSA-N -1 1 302.334 0.926 20 0 DCADMM CO[C@H](C)CC(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001387480804 987860852 /nfs/dbraw/zinc/86/08/52/987860852.db2.gz GHGGGMYWISFOHB-LLVKDONJSA-N -1 1 321.377 0.933 20 0 DCADMM C[C@H](CCNC(=O)Cc1ncc[nH]1)NC(=O)c1ncccc1[O-] ZINC001387578887 987908933 /nfs/dbraw/zinc/90/89/33/987908933.db2.gz CIQBAUHRJMFVND-SNVBAGLBSA-N -1 1 317.349 0.378 20 0 DCADMM CCc1cc(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n[nH]1 ZINC001597470876 987926690 /nfs/dbraw/zinc/92/66/90/987926690.db2.gz LEJZMAXTJFNDIU-ZUZCIYMTSA-N -1 1 322.365 0.605 20 0 DCADMM CC(C)(C)[C@@H]1CCN([C@H]2CCN(CCC(=O)[O-])C2=O)C[C@H]1O ZINC001589732509 987963529 /nfs/dbraw/zinc/96/35/29/987963529.db2.gz RNNGBYCJBINYQB-FRRDWIJNSA-N -1 1 312.410 0.791 20 0 DCADMM CC(C)(C)N1CC[C@H](N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001589806345 988228615 /nfs/dbraw/zinc/22/86/15/988228615.db2.gz NGBCERILDORWBD-PWSUYJOCSA-N -1 1 321.381 0.623 20 0 DCADMM CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001589814140 988243021 /nfs/dbraw/zinc/24/30/21/988243021.db2.gz DGGTWAHLXVAQON-NEPJUHHUSA-N -1 1 323.393 0.265 20 0 DCADMM CSc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])ccn1 ZINC001599807820 988284978 /nfs/dbraw/zinc/28/49/78/988284978.db2.gz XTTNGZUXJHBHAC-JTQLQIEISA-N -1 1 306.347 0.952 20 0 DCADMM CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001527087095 1015388072 /nfs/dbraw/zinc/38/80/72/1015388072.db2.gz KDZYZEQJWLYEQE-NEPJUHHUSA-N -1 1 321.377 0.791 20 0 DCADMM CO[C@H](C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-])C1CC1 ZINC001388984630 988715554 /nfs/dbraw/zinc/71/55/54/988715554.db2.gz CDKYIBKPGQTSIP-AWEZNQCLSA-N -1 1 321.377 0.743 20 0 DCADMM CCc1nc([C@@H](C)NS(=O)(=O)CC(C)(C)C(=O)[O-])n[nH]1 ZINC001597657194 988715739 /nfs/dbraw/zinc/71/57/39/988715739.db2.gz YTDNRXMQEATBJA-SSDOTTSWSA-N -1 1 304.372 0.458 20 0 DCADMM CCc1nc(CNC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)n[nH]1 ZINC001597669636 988758157 /nfs/dbraw/zinc/75/81/57/988758157.db2.gz AFGVOPDCDSUSRJ-UHFFFAOYSA-N -1 1 321.341 0.705 20 0 DCADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)Cn1cccn1 ZINC001450896177 1015431615 /nfs/dbraw/zinc/43/16/15/1015431615.db2.gz HAEXOYSNFYGAHH-NSHDSACASA-N -1 1 317.349 0.309 20 0 DCADMM CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001597703463 988941028 /nfs/dbraw/zinc/94/10/28/988941028.db2.gz OSORLRGLHVCUJR-STQMWFEESA-N -1 1 322.409 0.871 20 0 DCADMM CC[C@@H](F)C(=O)N(C)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001389326892 989123231 /nfs/dbraw/zinc/12/32/31/989123231.db2.gz LYTHQPNCFKEBNM-LLVKDONJSA-N -1 1 313.377 0.279 20 0 DCADMM CCc1nocc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001597756972 989177218 /nfs/dbraw/zinc/17/72/18/989177218.db2.gz SJVUMWRCCCDSJO-MOWSAHLDSA-N -1 1 319.361 0.504 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccn(-c3ccncc3)n2)C[C@@H](C(=O)[O-])O1 ZINC001599864207 989217089 /nfs/dbraw/zinc/21/70/89/989217089.db2.gz SRYICICDNKHTES-MFKMUULPSA-N -1 1 316.317 0.581 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)c2ccccc2O)C[C@@H](C(=O)[O-])O1 ZINC001599868140 989305235 /nfs/dbraw/zinc/30/52/35/989305235.db2.gz DHJQUXLRCKMTFV-SCZZXKLOSA-N -1 1 301.320 0.255 20 0 DCADMM CO[C@@H](C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1)C(C)C ZINC001389627543 989443131 /nfs/dbraw/zinc/44/31/31/989443131.db2.gz AWTSGNUBTULLKO-CMPLNLGQSA-N -1 1 311.386 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/nfs/dbraw/zinc/68/76/81/1010687681.db2.gz CAKDVVDUYQZYGL-ZDUSSCGKSA-N -1 1 323.441 0.967 20 0 DCADMM Cc1cccc(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)n1 ZINC001422970021 1010775390 /nfs/dbraw/zinc/77/53/90/1010775390.db2.gz PKJYNWAHBKLDAX-GFCCVEGCSA-N -1 1 316.365 0.512 20 0 DCADMM O=C(C[C@H]1CCCO1)NC1(CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001444038724 1010814911 /nfs/dbraw/zinc/81/49/11/1010814911.db2.gz LKXCXSYKDTXLCL-LLVKDONJSA-N -1 1 323.397 0.598 20 0 DCADMM O=C(NC1(CNCc2n[nH]c(=O)[n-]2)CCCC1)c1cncs1 ZINC001444040357 1010816811 /nfs/dbraw/zinc/81/68/11/1010816811.db2.gz NMWUHCVICJQIIG-UHFFFAOYSA-N -1 1 322.394 0.799 20 0 DCADMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCCC1)C1=COCCC1 ZINC001444477834 1011037016 /nfs/dbraw/zinc/03/70/16/1011037016.db2.gz ALJSNTYVTQBQPZ-UHFFFAOYSA-N -1 1 321.381 0.723 20 0 DCADMM C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)COCC1CC1 ZINC001423337107 1011086702 /nfs/dbraw/zinc/08/67/02/1011086702.db2.gz NDMYFCOZMMIMIM-ONGXEEELSA-N -1 1 309.370 0.016 20 0 DCADMM C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CCC(F)F ZINC001423339790 1011089156 /nfs/dbraw/zinc/08/91/56/1011089156.db2.gz ZVHALFHWZXKNIU-SFYZADRCSA-N -1 1 303.313 0.635 20 0 DCADMM Cc1ncncc1C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)C(C)C ZINC001444846510 1011186112 /nfs/dbraw/zinc/18/61/12/1011186112.db2.gz KPBWPIHURBZJCA-NSHDSACASA-N -1 1 319.369 0.153 20 0 DCADMM CCCCC(=O)N1CC(NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001456333545 1011207096 /nfs/dbraw/zinc/20/70/96/1011207096.db2.gz PGEHTYDXYUOLAP-UHFFFAOYSA-N -1 1 324.337 0.027 20 0 DCADMM CCC[C@@H](OC)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001456360265 1011218395 /nfs/dbraw/zinc/21/83/95/1011218395.db2.gz WNIMIQDHJFMYRO-GFCCVEGCSA-N -1 1 307.350 0.543 20 0 DCADMM O=C(c1cnncc1[O-])N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001456547445 1011333590 /nfs/dbraw/zinc/33/35/90/1011333590.db2.gz JRXPTGGPKSZWRD-LLVKDONJSA-N -1 1 311.363 0.222 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCCO1 ZINC001456756941 1011440290 /nfs/dbraw/zinc/44/02/90/1011440290.db2.gz AUUKUZTYDDLGRM-DGCLKSJQSA-N -1 1 321.377 0.981 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1(O)CCC1 ZINC001456765167 1011446986 /nfs/dbraw/zinc/44/69/86/1011446986.db2.gz NTNBJTBKVCOLEF-LLVKDONJSA-N -1 1 321.377 0.717 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCOCC1 ZINC001431626894 1011480858 /nfs/dbraw/zinc/48/08/58/1011480858.db2.gz YDBHVJMBBYUPPR-NEPJUHHUSA-N -1 1 321.377 0.838 20 0 DCADMM COCCC1(NC(C)=O)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001445265495 1011595483 /nfs/dbraw/zinc/59/54/83/1011595483.db2.gz XOUKSEBQZXRCRU-UHFFFAOYSA-N -1 1 321.377 0.935 20 0 DCADMM CCC[C@@H](OC)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001534777534 1011669365 /nfs/dbraw/zinc/66/93/65/1011669365.db2.gz WEXNWRCUUDJABZ-WCQYABFASA-N -1 1 321.377 0.933 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H](F)c1ccccc1 ZINC001445453611 1011784723 /nfs/dbraw/zinc/78/47/23/1011784723.db2.gz XITIIAPFSSYDJC-SKDRFNHKSA-N -1 1 307.329 0.815 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)N[C@H]2C(=O)NCC[C@H]2C)c1 ZINC001423986418 1011805940 /nfs/dbraw/zinc/80/59/40/1011805940.db2.gz YMSWRMRLYYZTDR-PRHODGIISA-N -1 1 314.363 0.204 20 0 DCADMM Cn1nccc1C(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001535162537 1011829317 /nfs/dbraw/zinc/82/93/17/1011829317.db2.gz MUWVBPCLSZYQNS-UHFFFAOYSA-N -1 1 315.333 0.213 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)c2ccc(C)c(C)n2)n[n-]1 ZINC001457745649 1011850116 /nfs/dbraw/zinc/85/01/16/1011850116.db2.gz OVVGSKNSKAZJMA-UHFFFAOYSA-N -1 1 303.322 0.923 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(C)c(C)n2)n1 ZINC001457745649 1011850130 /nfs/dbraw/zinc/85/01/30/1011850130.db2.gz OVVGSKNSKAZJMA-UHFFFAOYSA-N -1 1 303.322 0.923 20 0 DCADMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)c1cc(C)on1 ZINC001457885299 1011933394 /nfs/dbraw/zinc/93/33/94/1011933394.db2.gz FHGSCRSMIKBRDZ-UHFFFAOYSA-N -1 1 310.266 0.116 20 0 DCADMM Cc1ccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CCC2)n1C ZINC001424154009 1012092124 /nfs/dbraw/zinc/09/21/24/1012092124.db2.gz HMVANQJCZOEXPH-UHFFFAOYSA-N -1 1 318.381 0.600 20 0 DCADMM C[C@H](O)C[C@@H](CNC(=O)CCc1nn[n-]n1)c1ccccc1 ZINC001445685737 1012111431 /nfs/dbraw/zinc/11/14/31/1012111431.db2.gz OZAVHDVSVGLKSA-AAEUAGOBSA-N -1 1 303.366 0.803 20 0 DCADMM CCc1noc(CN(C)C[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001445709010 1012146187 /nfs/dbraw/zinc/14/61/87/1012146187.db2.gz DRKFJVRULHKDCA-JTQLQIEISA-N -1 1 319.365 0.983 20 0 DCADMM CO[C@H](C)CCC(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC001432220069 1012158055 /nfs/dbraw/zinc/15/80/55/1012158055.db2.gz FLIGTBLPNHRKLR-SNVBAGLBSA-N -1 1 307.350 0.543 20 0 DCADMM C[C@@H](CNC(=O)c1cnsn1)NC(=O)c1ncccc1[O-] ZINC001458382179 1012161964 /nfs/dbraw/zinc/16/19/64/1012161964.db2.gz HBJWTOKITBWJGH-ZETCQYMHSA-N -1 1 307.335 0.187 20 0 DCADMM CCOC(=O)c1cc(NC(=O)c2c[n-]n3c2nccc3=O)n[nH]1 ZINC001556063632 1012179140 /nfs/dbraw/zinc/17/91/40/1012179140.db2.gz IAMRGDMCGUKUJD-UHFFFAOYSA-N -1 1 316.277 0.175 20 0 DCADMM O=C(NCc1ccc(Cn2cncn2)cc1)c1cnncc1[O-] ZINC001556837416 1012233693 /nfs/dbraw/zinc/23/36/93/1012233693.db2.gz UDVVMDLYURAZGC-UHFFFAOYSA-N -1 1 310.317 0.752 20 0 DCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2nocc2C)c1 ZINC001556891102 1012240339 /nfs/dbraw/zinc/24/03/39/1012240339.db2.gz GLYYYUQCFGGZFY-UHFFFAOYSA-N -1 1 311.319 0.849 20 0 DCADMM CC(C)CN(Cc1nn[n-]n1)C(=O)[C@@H]1CCCCN(C)C1=O ZINC001558163605 1012328632 /nfs/dbraw/zinc/32/86/32/1012328632.db2.gz VFKCYMMMZMFDTI-LLVKDONJSA-N -1 1 308.386 0.443 20 0 DCADMM C[C@@]1(Br)C[C@@H]1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001558173263 1012331036 /nfs/dbraw/zinc/33/10/36/1012331036.db2.gz JEXBWJPWYSDRQA-HZGVNTEJSA-N -1 1 300.160 0.869 20 0 DCADMM CO[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-])C(C)C ZINC001458801095 1012380121 /nfs/dbraw/zinc/38/01/21/1012380121.db2.gz ZGJMMYRWGRRJFX-FZMZJTMJSA-N -1 1 321.377 0.789 20 0 DCADMM COc1nscc1S(=O)(=O)[N-][C@H]1C[C@@H](C)n2ncnc21 ZINC001424363498 1012429602 /nfs/dbraw/zinc/42/96/02/1012429602.db2.gz XPEHMBAKIWNPAP-RQJHMYQMSA-N -1 1 315.380 0.728 20 0 DCADMM CSC[C@@H](C)C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001432400535 1012436168 /nfs/dbraw/zinc/43/61/68/1012436168.db2.gz WIHFQVVFPNTZGQ-SNVBAGLBSA-N -1 1 323.418 0.975 20 0 DCADMM COC(=O)CC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC001540647722 1012458208 /nfs/dbraw/zinc/45/82/08/1012458208.db2.gz HFWPLUSWDUUQLW-UHFFFAOYSA-N -1 1 316.335 0.568 20 0 DCADMM NC(=O)c1cccc(OS(=O)(=O)c2c[n-]nc2Cl)c1 ZINC001561092383 1012460022 /nfs/dbraw/zinc/46/00/22/1012460022.db2.gz KPCWMMWXEVBOIS-UHFFFAOYSA-N -1 1 301.711 0.930 20 0 DCADMM CCCCC(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001424421749 1012488508 /nfs/dbraw/zinc/48/85/08/1012488508.db2.gz YCCKNRKEYLOWTJ-UHFFFAOYSA-N -1 1 311.386 0.456 20 0 DCADMM CCOC(=O)c1c[n-]c(NC(=O)CN2CCCCC(=O)C2=O)n1 ZINC001544584435 1012547305 /nfs/dbraw/zinc/54/73/05/1012547305.db2.gz BEKXHKGLRNHGHR-UHFFFAOYSA-N -1 1 322.321 0.107 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NCc2ccns2)[n-]n1 ZINC001424500528 1012584051 /nfs/dbraw/zinc/58/40/51/1012584051.db2.gz OLFPWOAJAMOYFM-UHFFFAOYSA-N -1 1 302.337 0.131 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NCc2ccns2)n[n-]1 ZINC001424500528 1012584061 /nfs/dbraw/zinc/58/40/61/1012584061.db2.gz OLFPWOAJAMOYFM-UHFFFAOYSA-N -1 1 302.337 0.131 20 0 DCADMM CCC[C@@H](NC(=O)c1cccc2[nH]c(CO)nc21)c1nn[n-]n1 ZINC001545272530 1012560119 /nfs/dbraw/zinc/56/01/19/1012560119.db2.gz IJQFYNQIRYWTIX-SNVBAGLBSA-N -1 1 315.337 0.840 20 0 DCADMM O=C([C@@H]1CC(c2ccccc2)=NO1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548499377 1012662973 /nfs/dbraw/zinc/66/29/73/1012662973.db2.gz JMEQPVSMTFLVJX-YPMHNXCESA-N -1 1 312.333 0.709 20 0 DCADMM O=C(N[C@H](CNC(=O)c1ncccc1[O-])C1CC1)c1cnco1 ZINC001429953714 1012990890 /nfs/dbraw/zinc/99/08/90/1012990890.db2.gz ILOWZKWTMBCSOK-SNVBAGLBSA-N -1 1 316.317 0.714 20 0 DCADMM CN(C(=O)c1cc(NCc2ccccc2)ccn1)c1nn[n-]n1 ZINC001461556428 1013030824 /nfs/dbraw/zinc/03/08/24/1013030824.db2.gz ADGPOMKTTJAZIJ-UHFFFAOYSA-N -1 1 309.333 0.905 20 0 DCADMM CCOC(=O)c1cc(C[N-]S(=O)(=O)Cc2ccon2)on1 ZINC001475599922 1017123504 /nfs/dbraw/zinc/12/35/04/1017123504.db2.gz SBCBQCOCKAYNAN-UHFFFAOYSA-N -1 1 315.307 0.459 20 0 DCADMM CC[C@H](C)N[C@@H](CNC(=O)N=c1nn[n-]n1CC)c1ccco1 ZINC001476594776 1017206221 /nfs/dbraw/zinc/20/62/21/1017206221.db2.gz BPBJRNJRQULVAO-QWRGUYRKSA-N -1 1 321.385 0.959 20 0 DCADMM CC[C@@H](C)N[C@H](CNC(=O)N=c1nn[n-]n1CC)c1ccco1 ZINC001476594774 1017206590 /nfs/dbraw/zinc/20/65/90/1017206590.db2.gz BPBJRNJRQULVAO-GHMZBOCLSA-N -1 1 321.385 0.959 20 0 DCADMM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)NCCCCC(=O)[O-] ZINC001521217126 1017337685 /nfs/dbraw/zinc/33/76/85/1017337685.db2.gz NEEIEYILXNCENN-NWDGAFQWSA-N -1 1 301.387 0.338 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC[C@H](C)[S@@](C)=O ZINC001521261198 1017343782 /nfs/dbraw/zinc/34/37/82/1017343782.db2.gz OGUJYEGDJCJOTK-INMOSUBGSA-N -1 1 303.409 0.666 20 0 DCADMM CC(C)(CNC(=O)[C@@]1(C(=O)[O-])CNCCO1)Cc1ccccc1 ZINC001521363221 1017355294 /nfs/dbraw/zinc/35/52/94/1017355294.db2.gz LIAGUUMJEAFOPC-QGZVFWFLSA-N -1 1 320.389 0.815 20 0 DCADMM COc1ccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c(Cl)n1 ZINC001521814136 1017409992 /nfs/dbraw/zinc/40/99/92/1017409992.db2.gz LBRXWZUSLGAJTP-SSDOTTSWSA-N -1 1 308.729 0.886 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1cnn(CCF)c1 ZINC001522393773 1017487429 /nfs/dbraw/zinc/48/74/29/1017487429.db2.gz IURFVNCTMPIEHW-UHFFFAOYSA-N -1 1 311.342 0.875 20 0 DCADMM CC(C)[C@@H](O)C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001510527562 1017687457 /nfs/dbraw/zinc/68/74/57/1017687457.db2.gz PNXCXIGTVMCGGT-GXFFZTMASA-N -1 1 309.366 0.381 20 0 DCADMM Cc1n[nH]c(C(=O)NCCCN(C)Cc2cnoc2C)c1[O-] ZINC001479767192 1017718369 /nfs/dbraw/zinc/71/83/69/1017718369.db2.gz YWMAQKULUBUIME-UHFFFAOYSA-N -1 1 307.354 0.972 20 0 DCADMM CCN(CCCNC(=O)c1c[nH]nc1C)Cc1n[nH]c(=O)[n-]1 ZINC001479850599 1017889431 /nfs/dbraw/zinc/88/94/31/1017889431.db2.gz TXOMMSIXCXMBFC-UHFFFAOYSA-N -1 1 307.358 0.184 20 0 DCADMM CC[C@@H](CNC(=O)c1ccn(C)c1C)NCc1n[nH]c(=O)[n-]1 ZINC001495055117 1018270728 /nfs/dbraw/zinc/27/07/28/1018270728.db2.gz 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C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cnn(C)c1 ZINC000820380588 606163923 /nfs/dbraw/zinc/16/39/23/606163923.db2.gz WUZZXHFMJKGBKO-SSDOTTSWSA-N -1 1 316.329 0.216 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cnn(C)c1 ZINC000820380588 606163925 /nfs/dbraw/zinc/16/39/25/606163925.db2.gz WUZZXHFMJKGBKO-SSDOTTSWSA-N -1 1 316.329 0.216 20 0 DCADMM c1cnc(N2CCC(O[C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)n1 ZINC000823809690 606244615 /nfs/dbraw/zinc/24/46/15/606244615.db2.gz PZJMSPCTKQKFDW-LLVKDONJSA-N -1 1 317.353 0.431 20 0 DCADMM c1cnc(N2CCC(O[C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)n1 ZINC000823809690 606244618 /nfs/dbraw/zinc/24/46/18/606244618.db2.gz PZJMSPCTKQKFDW-LLVKDONJSA-N -1 1 317.353 0.431 20 0 DCADMM CC(C)NC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820133365 606522952 /nfs/dbraw/zinc/52/29/52/606522952.db2.gz PNWIZWNPCGKESH-UHFFFAOYSA-N -1 1 308.367 0.573 20 0 DCADMM CC(C)NC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820133365 606522954 /nfs/dbraw/zinc/52/29/54/606522954.db2.gz PNWIZWNPCGKESH-UHFFFAOYSA-N -1 1 308.367 0.573 20 0 DCADMM COCCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821691121 606560701 /nfs/dbraw/zinc/56/07/01/606560701.db2.gz JHAYUWISSGMGDH-UHFFFAOYSA-N -1 1 322.394 0.332 20 0 DCADMM O=C(NCc1nnnn1C1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823270156 606578569 /nfs/dbraw/zinc/57/85/69/606578569.db2.gz ZEZNBQDIKBIDAH-UHFFFAOYSA-N -1 1 317.338 0.180 20 0 DCADMM O=C(NCc1nnnn1C1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823270156 606578570 /nfs/dbraw/zinc/57/85/70/606578570.db2.gz ZEZNBQDIKBIDAH-UHFFFAOYSA-N -1 1 317.338 0.180 20 0 DCADMM NC(=O)C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000822864928 606581624 /nfs/dbraw/zinc/58/16/24/606581624.db2.gz PHLDCNIDTJHQFK-MRVPVSSYSA-N -1 1 320.378 0.656 20 0 DCADMM NC(=O)C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000822864928 606581625 /nfs/dbraw/zinc/58/16/25/606581625.db2.gz PHLDCNIDTJHQFK-MRVPVSSYSA-N -1 1 320.378 0.656 20 0 DCADMM CNC(=O)[C@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821629883 606582401 /nfs/dbraw/zinc/58/24/01/606582401.db2.gz FLZDIFSENYWKFF-SSDOTTSWSA-N -1 1 308.367 0.382 20 0 DCADMM CNC(=O)[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821629883 606582402 /nfs/dbraw/zinc/58/24/02/606582402.db2.gz FLZDIFSENYWKFF-SSDOTTSWSA-N -1 1 308.367 0.382 20 0 DCADMM Nc1n[nH]c(CCCNc2ncccc2F)c1-c1nn[n-]n1 ZINC000822899414 606593178 /nfs/dbraw/zinc/59/31/78/606593178.db2.gz JMTHHZVECLBZDA-UHFFFAOYSA-N -1 1 303.305 0.751 20 0 DCADMM CN(Cc1cnccn1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821617015 606597280 /nfs/dbraw/zinc/59/72/80/606597280.db2.gz SKCIMQSVKZIGID-UHFFFAOYSA-N -1 1 314.313 0.054 20 0 DCADMM CN(Cc1cnccn1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821617015 606597282 /nfs/dbraw/zinc/59/72/82/606597282.db2.gz SKCIMQSVKZIGID-UHFFFAOYSA-N -1 1 314.313 0.054 20 0 DCADMM CN(Cc1cccs1)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000821615642 606654624 /nfs/dbraw/zinc/65/46/24/606654624.db2.gz GZSHTFIBAYAUQX-UHFFFAOYSA-N -1 1 303.351 0.783 20 0 DCADMM CN(Cc1cccs1)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000821615642 606654625 /nfs/dbraw/zinc/65/46/25/606654625.db2.gz GZSHTFIBAYAUQX-UHFFFAOYSA-N -1 1 303.351 0.783 20 0 DCADMM C[C@@H](C[C@H]1CCOC1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820235929 607137234 /nfs/dbraw/zinc/13/72/34/607137234.db2.gz VGVIVLBEOWAGBJ-DTWKUNHWSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@@H](C[C@H]1CCOC1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820235929 607137235 /nfs/dbraw/zinc/13/72/35/607137235.db2.gz VGVIVLBEOWAGBJ-DTWKUNHWSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@H]1CCCC[C@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820697690 607210061 /nfs/dbraw/zinc/21/00/61/607210061.db2.gz KNNZYSMIPFVLCP-UWVGGRQHSA-N -1 1 304.358 0.401 20 0 DCADMM C[C@@H](c1cccnc1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820570756 607210881 /nfs/dbraw/zinc/21/08/81/607210881.db2.gz QOUUBEOMDZIRKL-VIFPVBQESA-N -1 1 313.325 0.073 20 0 DCADMM CC(C)C[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820067879 607211645 /nfs/dbraw/zinc/21/16/45/607211645.db2.gz NMBISWFJTLBQPU-SNVBAGLBSA-N -1 1 304.358 0.495 20 0 DCADMM CC1(C)OC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)O1 ZINC000820607389 607218176 /nfs/dbraw/zinc/21/81/76/607218176.db2.gz SMDSMJQYKWYNAS-SSDOTTSWSA-N -1 1 309.351 0.810 20 0 DCADMM CC1(C)OC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)O1 ZINC000820607389 607218177 /nfs/dbraw/zinc/21/81/77/607218177.db2.gz SMDSMJQYKWYNAS-SSDOTTSWSA-N -1 1 309.351 0.810 20 0 DCADMM C[C@@H]1CC(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@@H](C)C1 ZINC000820649009 607218708 /nfs/dbraw/zinc/21/87/08/607218708.db2.gz HHXRJTWRCKHMSZ-IUCAKERBSA-N -1 1 304.358 0.399 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000823127116 607219841 /nfs/dbraw/zinc/21/98/41/607219841.db2.gz UCZUFMJVDXIUQQ-GMTAPVOTSA-N -1 1 316.369 0.543 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)NCC[C@@H](C)O)cc1-c1nn[n-]n1 ZINC000821977477 607961178 /nfs/dbraw/zinc/96/11/78/607961178.db2.gz GYWGEDXKRULWNG-ZCFIWIBFSA-N -1 1 324.366 0.190 20 0 DCADMM Cn1cc(C=CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cn1 ZINC000826359695 607998852 /nfs/dbraw/zinc/99/88/52/607998852.db2.gz OAZZXGVMCBWSFL-DJWKRKHSSA-N -1 1 311.305 0.958 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC(F)(F)F ZINC000825935148 608034636 /nfs/dbraw/zinc/03/46/36/608034636.db2.gz VUMFEJPVEDFQND-UHFFFAOYSA-N -1 1 304.280 0.599 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)CC(F)(F)F ZINC000825935148 608034637 /nfs/dbraw/zinc/03/46/37/608034637.db2.gz VUMFEJPVEDFQND-UHFFFAOYSA-N -1 1 304.280 0.599 20 0 DCADMM C[C@@H]1CO[C@@H](CO)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000825006671 608189966 /nfs/dbraw/zinc/18/99/66/608189966.db2.gz NVHMAELQEJRHSB-PHDIDXHHSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@@H]1CO[C@@H](CO)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000825006671 608189967 /nfs/dbraw/zinc/18/99/67/608189967.db2.gz NVHMAELQEJRHSB-PHDIDXHHSA-N -1 1 316.774 0.563 20 0 DCADMM OC[C@@H]1CSCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826509566 608195030 /nfs/dbraw/zinc/19/50/30/608195030.db2.gz YWYXNHCISUGSLG-RXMQYKEDSA-N -1 1 318.815 0.891 20 0 DCADMM OC[C@@H]1CSCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826509566 608195032 /nfs/dbraw/zinc/19/50/32/608195032.db2.gz YWYXNHCISUGSLG-RXMQYKEDSA-N -1 1 318.815 0.891 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@]2(C)CCCOC2)n1 ZINC000826356784 608267094 /nfs/dbraw/zinc/26/70/94/608267094.db2.gz FTJFWIRICZCVMO-LBPRGKRZSA-N -1 1 306.330 0.291 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@]2(C)CCCOC2)n1 ZINC000826356784 608267096 /nfs/dbraw/zinc/26/70/96/608267096.db2.gz FTJFWIRICZCVMO-LBPRGKRZSA-N -1 1 306.330 0.291 20 0 DCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1nnc2ccccn21 ZINC000824655471 608393050 /nfs/dbraw/zinc/39/30/50/608393050.db2.gz CVCIRGVBFQQRLE-MRVPVSSYSA-N -1 1 308.309 0.873 20 0 DCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1nnc2ccccn21 ZINC000824655471 608393051 /nfs/dbraw/zinc/39/30/51/608393051.db2.gz CVCIRGVBFQQRLE-MRVPVSSYSA-N -1 1 308.309 0.873 20 0 DCADMM c1ccc(O[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC000826522988 608433734 /nfs/dbraw/zinc/43/37/34/608433734.db2.gz WEWAEYVTEZIYOS-JTQLQIEISA-N -1 1 310.321 0.709 20 0 DCADMM c1ccc(O[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC000826522988 608433735 /nfs/dbraw/zinc/43/37/35/608433735.db2.gz WEWAEYVTEZIYOS-JTQLQIEISA-N -1 1 310.321 0.709 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCOC2(CCOCC2)C1 ZINC000826514550 608434922 /nfs/dbraw/zinc/43/49/22/608434922.db2.gz VQRFCSHXNINXLZ-SNVBAGLBSA-N -1 1 317.353 0.797 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCOC2(CCOCC2)C1 ZINC000826514550 608434925 /nfs/dbraw/zinc/43/49/25/608434925.db2.gz VQRFCSHXNINXLZ-SNVBAGLBSA-N -1 1 317.353 0.797 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(C(=O)N(C)C)CC1 ZINC000826280006 608540952 /nfs/dbraw/zinc/54/09/52/608540952.db2.gz KTOZICMBGPTGED-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM c1cc(NC[C@H]2COC3(CCOCC3)O2)nc(-c2nnn[n-]2)c1 ZINC000826517298 609173477 /nfs/dbraw/zinc/17/34/77/609173477.db2.gz XXHUJSYVZQVACA-JTQLQIEISA-N -1 1 318.337 0.596 20 0 DCADMM c1cc(NC[C@H]2COC3(CCOCC3)O2)nc(-c2nn[n-]n2)c1 ZINC000826517298 609173479 /nfs/dbraw/zinc/17/34/79/609173479.db2.gz XXHUJSYVZQVACA-JTQLQIEISA-N -1 1 318.337 0.596 20 0 DCADMM Cc1onc(CC(=O)N[C@@]2(C)CCCOC2)c1-c1nn[n-]n1 ZINC000826346340 609470932 /nfs/dbraw/zinc/47/09/32/609470932.db2.gz KAFHYFSXYSPJNN-ZDUSSCGKSA-N -1 1 306.326 0.391 20 0 DCADMM Cc1onc(CC(=O)N[C@@]2(C)CCCOC2)c1-c1nnn[n-]1 ZINC000826346340 609470929 /nfs/dbraw/zinc/47/09/29/609470929.db2.gz KAFHYFSXYSPJNN-ZDUSSCGKSA-N -1 1 306.326 0.391 20 0 DCADMM c1cnc(N2CCC([C@H]3CCOC3)CC2)c(-c2nnn[n-]2)n1 ZINC000826525658 609592093 /nfs/dbraw/zinc/59/20/93/609592093.db2.gz UCKCLZOHONSUSN-NSHDSACASA-N -1 1 301.354 0.910 20 0 DCADMM c1cnc(N2CCC([C@H]3CCOC3)CC2)c(-c2nn[n-]n2)n1 ZINC000826525658 609592094 /nfs/dbraw/zinc/59/20/94/609592094.db2.gz UCKCLZOHONSUSN-NSHDSACASA-N -1 1 301.354 0.910 20 0 DCADMM c1cc(N2CCOCC3(CCOCC3)C2)nnc1-c1nnn[n-]1 ZINC000826517210 609608081 /nfs/dbraw/zinc/60/80/81/609608081.db2.gz VEYNVMYPRKRWHT-UHFFFAOYSA-N -1 1 317.353 0.290 20 0 DCADMM c1cc(N2CCOCC3(CCOCC3)C2)nnc1-c1nn[n-]n1 ZINC000826517210 609608083 /nfs/dbraw/zinc/60/80/83/609608083.db2.gz VEYNVMYPRKRWHT-UHFFFAOYSA-N -1 1 317.353 0.290 20 0 DCADMM O=C(NCCCn1ccnn1)c1ccc(-c2nnn[n-]2)s1 ZINC000826437427 609610754 /nfs/dbraw/zinc/61/07/54/609610754.db2.gz LFMGUQQYGNSVEV-UHFFFAOYSA-N -1 1 304.339 0.340 20 0 DCADMM O=C(NCCCn1ccnn1)c1ccc(-c2nn[n-]n2)s1 ZINC000826437427 609610756 /nfs/dbraw/zinc/61/07/56/609610756.db2.gz LFMGUQQYGNSVEV-UHFFFAOYSA-N -1 1 304.339 0.340 20 0 DCADMM O=C(NCC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826436345 609620858 /nfs/dbraw/zinc/62/08/58/609620858.db2.gz QKTLIJWPSIUAOB-NSHDSACASA-N -1 1 302.338 0.951 20 0 DCADMM O=C(NCC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826436345 609620859 /nfs/dbraw/zinc/62/08/59/609620859.db2.gz QKTLIJWPSIUAOB-NSHDSACASA-N -1 1 302.338 0.951 20 0 DCADMM C[C@H](O)CC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866832931 667404053 /nfs/dbraw/zinc/40/40/53/667404053.db2.gz LVEOFPYCFJNYTQ-YPMLDQLKSA-N -1 1 306.409 0.749 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)CC2CC2)CCO1 ZINC000979143563 660672109 /nfs/dbraw/zinc/67/21/09/660672109.db2.gz MZFDKMDGRJFMAZ-KOLCDFICSA-N -1 1 309.370 0.016 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)C2CCC2)CCO1 ZINC000979147676 660673008 /nfs/dbraw/zinc/67/30/08/660673008.db2.gz MGWQCBQMGUXYMV-KOLCDFICSA-N -1 1 309.370 0.016 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2ccco2)CCO1 ZINC000979169782 660675904 /nfs/dbraw/zinc/67/59/04/660675904.db2.gz SIVWAGQNVUCHTC-KOLCDFICSA-N -1 1 321.337 0.123 20 0 DCADMM CC(C)=CC(=O)N1CCO[C@H]([C@@H](C)NCc2n[nH]c(=O)[n-]2)C1 ZINC000979186002 660682267 /nfs/dbraw/zinc/68/22/67/660682267.db2.gz SAITWDLHPNIDKS-MNOVXSKESA-N -1 1 309.370 0.182 20 0 DCADMM CC(C)=CC(=O)N1CCO[C@@H]([C@H](C)NCc2n[nH]c(=O)[n-]2)C1 ZINC000979186008 660682292 /nfs/dbraw/zinc/68/22/92/660682292.db2.gz SAITWDLHPNIDKS-WDEREUQCSA-N -1 1 309.370 0.182 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@@H]2CC=CCC2)nc1=O ZINC001027749190 660690148 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Cc1ncccc1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019307849 693427037 /nfs/dbraw/zinc/42/70/37/693427037.db2.gz YMSIQFNVSLCOCE-JTQLQIEISA-N -1 1 302.338 0.218 20 0 DCADMM O=C(c1cc(C2CC2)n[nH]1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019421868 693469309 /nfs/dbraw/zinc/46/93/09/693469309.db2.gz LGIGETJTWXWOEY-VIFPVBQESA-N -1 1 317.353 0.115 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001074049376 694815535 /nfs/dbraw/zinc/81/55/35/694815535.db2.gz OAQJQGZZJXOWGV-XQQFMLRXSA-N -1 1 321.425 0.577 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)C[C@@](C)(O)C1CC1 ZINC001074611191 694912092 /nfs/dbraw/zinc/91/20/92/694912092.db2.gz MZEVUNAMBPWVKL-CCUNJIBTSA-N -1 1 323.397 0.140 20 0 DCADMM C[C@@H](CCNC(=O)C[C@@H]1CCOC1)NC(=O)c1ncccc1[O-] ZINC001076004024 694993123 /nfs/dbraw/zinc/99/31/23/694993123.db2.gz UVZIXLYUDIIPNS-RYUDHWBXSA-N -1 1 321.377 0.838 20 0 DCADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCO1 ZINC001076244171 695008264 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CCC(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576470539 1164354080 /nfs/dbraw/zinc/35/40/80/1164354080.db2.gz GEKQLAZNMYPIGW-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576561216 1164391783 /nfs/dbraw/zinc/39/17/83/1164391783.db2.gz FBNUQJRSYOSUHS-VIFPVBQESA-N -1 1 318.385 0.882 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576561216 1164391787 /nfs/dbraw/zinc/39/17/87/1164391787.db2.gz FBNUQJRSYOSUHS-VIFPVBQESA-N -1 1 318.385 0.882 20 0 DCADMM CC[C@H](C)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576565348 1164392511 /nfs/dbraw/zinc/39/25/11/1164392511.db2.gz BUIJZLHMLPBXIJ-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576565348 1164392517 /nfs/dbraw/zinc/39/25/17/1164392517.db2.gz BUIJZLHMLPBXIJ-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576581210 1164404584 /nfs/dbraw/zinc/40/45/84/1164404584.db2.gz KRHLOJUAPQKCPQ-VHSXEESVSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576581210 1164404587 /nfs/dbraw/zinc/40/45/87/1164404587.db2.gz KRHLOJUAPQKCPQ-VHSXEESVSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576607805 1164409507 /nfs/dbraw/zinc/40/95/07/1164409507.db2.gz WWSJGSMLPOANIZ-UWVGGRQHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576607805 1164409511 /nfs/dbraw/zinc/40/95/11/1164409511.db2.gz WWSJGSMLPOANIZ-UWVGGRQHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](CNC(=O)CC(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576803090 1164470548 /nfs/dbraw/zinc/47/05/48/1164470548.db2.gz MGJNELJMLZEBLN-JTQLQIEISA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576844942 1164491710 /nfs/dbraw/zinc/49/17/10/1164491710.db2.gz DMRYGPLGTGGDBK-OPRDCNLKSA-N -1 1 316.369 0.041 20 0 DCADMM CC[C@@H](F)C(=O)N(CC)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576928773 1164538545 /nfs/dbraw/zinc/53/85/45/1164538545.db2.gz YPLDDCOAVXMXOQ-SECBINFHSA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@@H](F)C(=O)N(CC)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576928773 1164538550 /nfs/dbraw/zinc/53/85/50/1164538550.db2.gz YPLDDCOAVXMXOQ-SECBINFHSA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001576939508 1164545153 /nfs/dbraw/zinc/54/51/53/1164545153.db2.gz FROKCLKDHVFEBE-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001576939508 1164545160 /nfs/dbraw/zinc/54/51/60/1164545160.db2.gz FROKCLKDHVFEBE-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576943124 1164547228 /nfs/dbraw/zinc/54/72/28/1164547228.db2.gz SYNBCJANDXGPHV-SECBINFHSA-N -1 1 320.332 0.053 20 0 DCADMM CC[C@@H](F)C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576943124 1164547235 /nfs/dbraw/zinc/54/72/35/1164547235.db2.gz SYNBCJANDXGPHV-SECBINFHSA-N -1 1 320.332 0.053 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576954898 1164555140 /nfs/dbraw/zinc/55/51/40/1164555140.db2.gz WBVXEOWJGKKWHY-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576954898 1164555148 /nfs/dbraw/zinc/55/51/48/1164555148.db2.gz WBVXEOWJGKKWHY-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576957477 1164557521 /nfs/dbraw/zinc/55/75/21/1164557521.db2.gz TUSFRVOTXVAERN-DTWKUNHWSA-N -1 1 322.348 0.569 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576957477 1164557524 /nfs/dbraw/zinc/55/75/24/1164557524.db2.gz TUSFRVOTXVAERN-DTWKUNHWSA-N -1 1 322.348 0.569 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576964514 1164560914 /nfs/dbraw/zinc/56/09/14/1164560914.db2.gz ABELJNOTTNXGQO-YIZRAAEISA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576964514 1164560921 /nfs/dbraw/zinc/56/09/21/1164560921.db2.gz ABELJNOTTNXGQO-YIZRAAEISA-N -1 1 320.332 0.464 20 0 DCADMM CCCC(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577188371 1164627853 /nfs/dbraw/zinc/62/78/53/1164627853.db2.gz TUZMWWAJWKUCEG-GXSJLCMTSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577188371 1164627857 /nfs/dbraw/zinc/62/78/57/1164627857.db2.gz TUZMWWAJWKUCEG-GXSJLCMTSA-N -1 1 316.369 0.716 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577425868 1164689780 /nfs/dbraw/zinc/68/97/80/1164689780.db2.gz DBDICTKFTXFPSM-MGCOHNPYSA-N -1 1 316.369 0.906 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577425868 1164689787 /nfs/dbraw/zinc/68/97/87/1164689787.db2.gz DBDICTKFTXFPSM-MGCOHNPYSA-N -1 1 316.369 0.906 20 0 DCADMM CCN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)C1(C)CC1 ZINC001578127894 1164931313 /nfs/dbraw/zinc/93/13/13/1164931313.db2.gz NOSXWIADKPDTDM-UHFFFAOYSA-N -1 1 316.369 0.139 20 0 DCADMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)CC(C)C ZINC001578145285 1164936190 /nfs/dbraw/zinc/93/61/90/1164936190.db2.gz FDCFRJUSRLHUDS-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)CC(C)C ZINC001578145285 1164936198 /nfs/dbraw/zinc/93/61/98/1164936198.db2.gz FDCFRJUSRLHUDS-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCN(CCNc1nccnc1-c1nnn[n-]1)C(=O)[C@H]1C[C@@H]1C ZINC001578165708 1164942388 /nfs/dbraw/zinc/94/23/88/1164942388.db2.gz SQIOCSALKBQKHP-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM CCN(CCNc1nccnc1-c1nn[n-]n1)C(=O)[C@H]1C[C@@H]1C ZINC001578165708 1164942394 /nfs/dbraw/zinc/94/23/94/1164942394.db2.gz SQIOCSALKBQKHP-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM CCOC(=O)[C@@H]1[C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C[C@@H]21 ZINC001578251047 1164962669 /nfs/dbraw/zinc/96/26/69/1164962669.db2.gz XELVOEIMPDRLCA-VDDIYKPWSA-N -1 1 315.337 0.292 20 0 DCADMM CCOC(=O)[C@@H]1[C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C[C@@H]21 ZINC001578251047 1164962678 /nfs/dbraw/zinc/96/26/78/1164962678.db2.gz XELVOEIMPDRLCA-VDDIYKPWSA-N -1 1 315.337 0.292 20 0 DCADMM CN(C)C(=O)c1cccc(Cn2cc(-c3nn[n-]n3)ccc2=O)c1 ZINC001578962250 1165171879 /nfs/dbraw/zinc/17/18/79/1165171879.db2.gz LDZIKDAHFCYOMB-UHFFFAOYSA-N -1 1 324.344 0.779 20 0 DCADMM CN(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)C(C)(C)C ZINC001579144523 1165222183 /nfs/dbraw/zinc/22/21/83/1165222183.db2.gz PPCOAIKZBAEIET-UHFFFAOYSA-N -1 1 318.385 0.597 20 0 DCADMM CN(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)C(C)(C)C ZINC001579144523 1165222190 /nfs/dbraw/zinc/22/21/90/1165222190.db2.gz PPCOAIKZBAEIET-UHFFFAOYSA-N -1 1 318.385 0.597 20 0 DCADMM CN(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)CCCF ZINC001579145124 1165222554 /nfs/dbraw/zinc/22/25/54/1165222554.db2.gz WGHHJQYXWGROLD-UHFFFAOYSA-N -1 1 322.348 0.301 20 0 DCADMM CN(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)CCCF ZINC001579145124 1165222561 /nfs/dbraw/zinc/22/25/61/1165222561.db2.gz WGHHJQYXWGROLD-UHFFFAOYSA-N -1 1 322.348 0.301 20 0 DCADMM CN(CCn1cccn1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001579232833 1165246668 /nfs/dbraw/zinc/24/66/68/1165246668.db2.gz RTFMZESWTGRTIE-UHFFFAOYSA-N -1 1 313.325 0.622 20 0 DCADMM CN(CCn1cccn1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001579232833 1165246675 /nfs/dbraw/zinc/24/66/75/1165246675.db2.gz RTFMZESWTGRTIE-UHFFFAOYSA-N -1 1 313.325 0.622 20 0 DCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001579281318 1165260194 /nfs/dbraw/zinc/26/01/94/1165260194.db2.gz ZZPBFYXPXXGNBB-SNVBAGLBSA-N -1 1 314.353 0.104 20 0 DCADMM CN1c2ccccc2C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1=O ZINC001579299016 1165263606 /nfs/dbraw/zinc/26/36/06/1165263606.db2.gz VLXWWQNYQLNIII-JTQLQIEISA-N -1 1 322.332 0.078 20 0 DCADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001579295191 1165264401 /nfs/dbraw/zinc/26/44/01/1165264401.db2.gz RSHPSAGSSPJRCD-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001579295191 1165264405 /nfs/dbraw/zinc/26/44/05/1165264405.db2.gz RSHPSAGSSPJRCD-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM CNc1nc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cs1 ZINC001579431194 1165307870 /nfs/dbraw/zinc/30/78/70/1165307870.db2.gz FQVGTUHAQJTVLJ-UHFFFAOYSA-N -1 1 322.379 0.751 20 0 DCADMM CNc1nc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cs1 ZINC001579431194 1165307876 /nfs/dbraw/zinc/30/78/76/1165307876.db2.gz FQVGTUHAQJTVLJ-UHFFFAOYSA-N -1 1 322.379 0.751 20 0 DCADMM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001579442876 1165310408 /nfs/dbraw/zinc/31/04/08/1165310408.db2.gz MOTDYSFSTFVIQN-YUMQZZPRSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001579442876 1165310412 /nfs/dbraw/zinc/31/04/12/1165310412.db2.gz MOTDYSFSTFVIQN-YUMQZZPRSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)c1ccccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001579487638 1165329560 /nfs/dbraw/zinc/32/95/60/1165329560.db2.gz OPQVIJMFTMWGSM-UHFFFAOYSA-N -1 1 313.277 0.629 20 0 DCADMM COC(=O)c1ccccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001579487638 1165329563 /nfs/dbraw/zinc/32/95/63/1165329563.db2.gz OPQVIJMFTMWGSM-UHFFFAOYSA-N -1 1 313.277 0.629 20 0 DCADMM CO[C@@H]1CC[C@H](NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001579613357 1165359319 /nfs/dbraw/zinc/35/93/19/1165359319.db2.gz UCTOCNLHEOJOJK-DTWKUNHWSA-N -1 1 318.337 0.573 20 0 DCADMM CO[C@@H]1CCCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001579616309 1165360343 /nfs/dbraw/zinc/36/03/43/1165360343.db2.gz FDMLTGRFKUSIES-SECBINFHSA-N -1 1 318.337 0.527 20 0 DCADMM COCC(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001579643155 1165370656 /nfs/dbraw/zinc/37/06/56/1165370656.db2.gz DNRLNGDTHVCBMZ-OCAPTIKFSA-N -1 1 323.382 0.337 20 0 DCADMM COCCC1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001579783719 1165395073 /nfs/dbraw/zinc/39/50/73/1165395073.db2.gz BYLWYBZIWRKKON-UHFFFAOYSA-N -1 1 302.338 0.695 20 0 DCADMM COCCC1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001579783719 1165395079 /nfs/dbraw/zinc/39/50/79/1165395079.db2.gz BYLWYBZIWRKKON-UHFFFAOYSA-N -1 1 302.338 0.695 20 0 DCADMM COCc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1OC ZINC001579831559 1165405107 /nfs/dbraw/zinc/40/51/07/1165405107.db2.gz HHCWSKAJWNCRQC-UHFFFAOYSA-N -1 1 313.321 0.977 20 0 DCADMM COc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)sn1 ZINC001579910371 1165432908 /nfs/dbraw/zinc/43/29/08/1165432908.db2.gz ZPVDGZSMQULJHW-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)sn1 ZINC001579910371 1165432919 /nfs/dbraw/zinc/43/29/19/1165432919.db2.gz ZPVDGZSMQULJHW-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1cc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)ccn1 ZINC001579929511 1165440144 /nfs/dbraw/zinc/44/01/44/1165440144.db2.gz ONXJTCSLXAEDAJ-UHFFFAOYSA-N -1 1 324.344 0.969 20 0 DCADMM COc1ccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)nn1 ZINC001579988695 1165462881 /nfs/dbraw/zinc/46/28/81/1165462881.db2.gz NAXIWBFOFMCSIK-UHFFFAOYSA-N -1 1 318.322 0.683 20 0 DCADMM COc1ccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)nn1 ZINC001579988695 1165462885 /nfs/dbraw/zinc/46/28/85/1165462885.db2.gz NAXIWBFOFMCSIK-UHFFFAOYSA-N -1 1 318.322 0.683 20 0 DCADMM COc1ncc(NC(=O)Cc2cc(C)on2)cc1-c1nn[n-]n1 ZINC001580135100 1165511885 /nfs/dbraw/zinc/51/18/85/1165511885.db2.gz UOLCYRSXHRKPMS-UHFFFAOYSA-N -1 1 315.293 0.748 20 0 DCADMM COc1ncc(NC(=O)NC[C@H]2C[C@@H](O)C2)cc1-c1nn[n-]n1 ZINC001580139121 1165516859 /nfs/dbraw/zinc/51/68/59/1165516859.db2.gz WFMAUKNKFAQHMZ-OTSSQURYSA-N -1 1 319.325 0.163 20 0 DCADMM COc1nccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)n1 ZINC001580145411 1165519136 /nfs/dbraw/zinc/51/91/36/1165519136.db2.gz WJCFYICRWBZNRU-UHFFFAOYSA-N -1 1 318.322 0.683 20 0 DCADMM COc1nccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)n1 ZINC001580145411 1165519143 /nfs/dbraw/zinc/51/91/43/1165519143.db2.gz WJCFYICRWBZNRU-UHFFFAOYSA-N -1 1 318.322 0.683 20 0 DCADMM CS[C@@H](C)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001580174064 1165527929 /nfs/dbraw/zinc/52/79/29/1165527929.db2.gz AYLTWNZLKKBKFY-QMMMGPOBSA-N -1 1 322.398 0.279 20 0 DCADMM CS[C@@H](C)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001580174064 1165527933 /nfs/dbraw/zinc/52/79/33/1165527933.db2.gz AYLTWNZLKKBKFY-QMMMGPOBSA-N -1 1 322.398 0.279 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC1(F)F ZINC001580294224 1165562046 /nfs/dbraw/zinc/56/20/46/1165562046.db2.gz ZAGRMJJZGLFGBI-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC1(F)F ZINC001580294224 1165562049 /nfs/dbraw/zinc/56/20/49/1165562049.db2.gz ZAGRMJJZGLFGBI-BQBZGAKWSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CC1(F)F ZINC001580422822 1165599430 /nfs/dbraw/zinc/59/94/30/1165599430.db2.gz ZAGRMJJZGLFGBI-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC1(F)F ZINC001580422822 1165599439 /nfs/dbraw/zinc/59/94/39/1165599439.db2.gz ZAGRMJJZGLFGBI-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@H](CO)[C@H]1C ZINC001580597520 1165650389 /nfs/dbraw/zinc/65/03/89/1165650389.db2.gz ICJPZWNSUZVVDL-RKDXNWHRSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N=c1sccn1C ZINC001580600003 1165651579 /nfs/dbraw/zinc/65/15/79/1165651579.db2.gz KEJQQUGNUVOMMW-UHFFFAOYSA-N -1 1 317.334 0.417 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)C3CC3)C2)n1 ZINC001580656314 1165676792 /nfs/dbraw/zinc/67/67/92/1165676792.db2.gz MLGRHSWLOVOCBW-SNVBAGLBSA-N -1 1 314.353 0.070 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)C3CC3)C2)n1 ZINC001580656314 1165676796 /nfs/dbraw/zinc/67/67/96/1165676796.db2.gz MLGRHSWLOVOCBW-SNVBAGLBSA-N -1 1 314.353 0.070 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCN(C)C(=O)[C@H]2C[C@@H]2C)n1 ZINC001580745415 1165707711 /nfs/dbraw/zinc/70/77/11/1165707711.db2.gz FDHGAHHODTVHOF-WPRPVWTQSA-N -1 1 316.369 0.491 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCN(C)C(=O)[C@H]2C[C@@H]2C)n1 ZINC001580745415 1165707717 /nfs/dbraw/zinc/70/77/17/1165707717.db2.gz FDHGAHHODTVHOF-WPRPVWTQSA-N -1 1 316.369 0.491 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCN(C)C(=O)CCCF)n1 ZINC001580746300 1165707738 /nfs/dbraw/zinc/70/77/38/1165707738.db2.gz YRXYLWXWGGRMDR-UHFFFAOYSA-N -1 1 322.348 0.585 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCN(C)C(=O)CCCF)n1 ZINC001580746300 1165707744 /nfs/dbraw/zinc/70/77/44/1165707744.db2.gz YRXYLWXWGGRMDR-UHFFFAOYSA-N -1 1 322.348 0.585 20 0 DCADMM Cc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cnn1 ZINC001580870530 1165746000 /nfs/dbraw/zinc/74/60/00/1165746000.db2.gz HMVJRLNTWZFSHC-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cnn1 ZINC001580870530 1165746010 /nfs/dbraw/zinc/74/60/10/1165746010.db2.gz HMVJRLNTWZFSHC-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1cc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)nn1C ZINC001580931191 1165758086 /nfs/dbraw/zinc/75/80/86/1165758086.db2.gz WFEHSNWLDXOGBQ-UHFFFAOYSA-N -1 1 311.349 0.607 20 0 DCADMM Cc1n[nH]cc1CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581403170 1165821781 /nfs/dbraw/zinc/82/17/81/1165821781.db2.gz BWAYVXCBQMNYCO-UHFFFAOYSA-N -1 1 318.366 0.959 20 0 DCADMM Cc1nc(N[C@H]2Cc3ccccc3NC2=O)cc(-c2nnn[n-]2)n1 ZINC001581506104 1165836054 /nfs/dbraw/zinc/83/60/54/1165836054.db2.gz MOZKTXDPFSTEJO-LBPRGKRZSA-N -1 1 322.332 0.940 20 0 DCADMM Cc1nc(N[C@H]2Cc3ccccc3NC2=O)cc(-c2nn[n-]n2)n1 ZINC001581506104 1165836059 /nfs/dbraw/zinc/83/60/59/1165836059.db2.gz MOZKTXDPFSTEJO-LBPRGKRZSA-N -1 1 322.332 0.940 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cncc(Cl)n2)c1-c1nnn[n-]1 ZINC001581595147 1165846905 /nfs/dbraw/zinc/84/69/05/1165846905.db2.gz QJQHZASDFVQLDI-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cncc(Cl)n2)c1-c1nn[n-]n1 ZINC001581595147 1165846915 /nfs/dbraw/zinc/84/69/15/1165846915.db2.gz QJQHZASDFVQLDI-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1nnc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)n1C ZINC001581612696 1165852310 /nfs/dbraw/zinc/85/23/10/1165852310.db2.gz TZGGZYNCTAHAOM-UHFFFAOYSA-N -1 1 320.263 0.834 20 0 DCADMM Cc1nnc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)n1C ZINC001581612696 1165852318 /nfs/dbraw/zinc/85/23/18/1165852318.db2.gz TZGGZYNCTAHAOM-UHFFFAOYSA-N -1 1 320.263 0.834 20 0 DCADMM Cc1nsc(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1-c1nnn[n-]1 ZINC001581686482 1165859887 /nfs/dbraw/zinc/85/98/87/1165859887.db2.gz BWMOQUBMUMFUNU-RQJHMYQMSA-N -1 1 321.366 0.472 20 0 DCADMM Cc1nsc(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1-c1nn[n-]n1 ZINC001581686482 1165859893 /nfs/dbraw/zinc/85/98/93/1165859893.db2.gz BWMOQUBMUMFUNU-RQJHMYQMSA-N -1 1 321.366 0.472 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H]3OCC[C@@H]3C2)n1 ZINC001581754347 1165867703 /nfs/dbraw/zinc/86/77/03/1165867703.db2.gz QKJOVISURAVTKV-SCZZXKLOSA-N -1 1 318.341 0.243 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H]3OCC[C@@H]3C2)n1 ZINC001581754347 1165867710 /nfs/dbraw/zinc/86/77/10/1165867710.db2.gz QKJOVISURAVTKV-SCZZXKLOSA-N -1 1 318.341 0.243 20 0 DCADMM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC001581776490 1165875427 /nfs/dbraw/zinc/87/54/27/1165875427.db2.gz IGRNPUYNQYPRNB-DTWKUNHWSA-N -1 1 313.325 0.076 20 0 DCADMM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC001581776490 1165875433 /nfs/dbraw/zinc/87/54/33/1165875433.db2.gz IGRNPUYNQYPRNB-DTWKUNHWSA-N -1 1 313.325 0.076 20 0 DCADMM Cn1ccnc1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001581799724 1165877797 /nfs/dbraw/zinc/87/77/97/1165877797.db2.gz PDJSVZZRLZAVBE-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1ccnc1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001581799724 1165877803 /nfs/dbraw/zinc/87/78/03/1165877803.db2.gz PDJSVZZRLZAVBE-UHFFFAOYSA-N -1 1 319.275 0.808 20 0 DCADMM Cn1ncc(Cl)c1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581834080 1165886370 /nfs/dbraw/zinc/88/63/70/1165886370.db2.gz RJHVGCOOWGSIPT-UHFFFAOYSA-N -1 1 324.757 0.640 20 0 DCADMM Cn1ncc(Cl)c1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581834080 1165886376 /nfs/dbraw/zinc/88/63/76/1165886376.db2.gz RJHVGCOOWGSIPT-UHFFFAOYSA-N -1 1 324.757 0.640 20 0 DCADMM NC(=O)[C@H](F)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001581886914 1165903275 /nfs/dbraw/zinc/90/32/75/1165903275.db2.gz LPNMLWZOAXMLLB-SNVBAGLBSA-N -1 1 322.300 0.135 20 0 DCADMM NC(=O)[C@H](F)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001581886914 1165903285 /nfs/dbraw/zinc/90/32/85/1165903285.db2.gz LPNMLWZOAXMLLB-SNVBAGLBSA-N -1 1 322.300 0.135 20 0 DCADMM NC(=O)CCN(Cc1ccccc1)c1cncc(-c2nnn[n-]2)n1 ZINC001581893884 1165905407 /nfs/dbraw/zinc/90/54/07/1165905407.db2.gz OBALFDNACIJZEL-UHFFFAOYSA-N -1 1 324.348 0.539 20 0 DCADMM NC(=O)CCN(Cc1ccccc1)c1cncc(-c2nn[n-]n2)n1 ZINC001581893884 1165905414 /nfs/dbraw/zinc/90/54/14/1165905414.db2.gz OBALFDNACIJZEL-UHFFFAOYSA-N -1 1 324.348 0.539 20 0 DCADMM Nc1nnc(C2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)o1 ZINC001581911392 1165912734 /nfs/dbraw/zinc/91/27/34/1165912734.db2.gz QVOYTGLWWMBTIG-UHFFFAOYSA-N -1 1 313.325 0.611 20 0 DCADMM Nc1nnc(C2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)o1 ZINC001581911392 1165912741 /nfs/dbraw/zinc/91/27/41/1165912741.db2.gz QVOYTGLWWMBTIG-UHFFFAOYSA-N -1 1 313.325 0.611 20 0 DCADMM O=C(CCCF)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001582045047 1165944672 /nfs/dbraw/zinc/94/46/72/1165944672.db2.gz KGRDWISECNDFCB-UHFFFAOYSA-N -1 1 324.385 0.978 20 0 DCADMM O=C(Cc1cncc(O)c1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001582173063 1165977630 /nfs/dbraw/zinc/97/76/30/1165977630.db2.gz GZEYHUJHBCMYQA-UHFFFAOYSA-N -1 1 317.334 0.283 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc2c1OCC2 ZINC001582199103 1165981604 /nfs/dbraw/zinc/98/16/04/1165981604.db2.gz FAPACMNAQDTZES-UHFFFAOYSA-N -1 1 312.293 0.032 20 0 DCADMM O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001582269722 1165994524 /nfs/dbraw/zinc/99/45/24/1165994524.db2.gz GMDRNNRWGYUBOE-BDAKNGLRSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001582269722 1165994528 /nfs/dbraw/zinc/99/45/28/1165994528.db2.gz GMDRNNRWGYUBOE-BDAKNGLRSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@H]1CCC2(C1)OCCO2)c1ccsc1-c1nnn[n-]1 ZINC001582277285 1165995135 /nfs/dbraw/zinc/99/51/35/1165995135.db2.gz WGPPTCLXTYGQOV-QMMMGPOBSA-N -1 1 321.362 0.954 20 0 DCADMM O=C(N[C@H]1CCC2(C1)OCCO2)c1ccsc1-c1nn[n-]n1 ZINC001582277285 1165995140 /nfs/dbraw/zinc/99/51/40/1165995140.db2.gz WGPPTCLXTYGQOV-QMMMGPOBSA-N -1 1 321.362 0.954 20 0 DCADMM O=C(NCCCNc1ccc(-c2nnn[n-]2)nn1)C1CC=CC1 ZINC001582506829 1166029964 /nfs/dbraw/zinc/02/99/64/1166029964.db2.gz CSABTONYIBOTQF-UHFFFAOYSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCCNc1ccc(-c2nn[n-]n2)nn1)C1CC=CC1 ZINC001582506829 1166029971 /nfs/dbraw/zinc/02/99/71/1166029971.db2.gz CSABTONYIBOTQF-UHFFFAOYSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc(CO)on1 ZINC001582549617 1166038900 /nfs/dbraw/zinc/03/89/00/1166038900.db2.gz HKLQUISHNSEQNK-UHFFFAOYSA-N -1 1 306.307 0.339 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1c(F)cncc1F ZINC001582558827 1166044535 /nfs/dbraw/zinc/04/45/35/1166044535.db2.gz IZAVRUBWKHFVES-UHFFFAOYSA-N -1 1 323.288 0.926 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1c(F)cncc1F ZINC001582558827 1166044538 /nfs/dbraw/zinc/04/45/38/1166044538.db2.gz IZAVRUBWKHFVES-UHFFFAOYSA-N -1 1 323.288 0.926 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(OC(F)F)cn1 ZINC001582631239 1166055161 /nfs/dbraw/zinc/05/51/61/1166055161.db2.gz CNUDMDOOHIAAEB-UHFFFAOYSA-N -1 1 322.235 0.839 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(OC(F)F)cn1 ZINC001582631239 1166055166 /nfs/dbraw/zinc/05/51/66/1166055166.db2.gz CNUDMDOOHIAAEB-UHFFFAOYSA-N -1 1 322.235 0.839 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCc2n[nH]c(=O)cc2C1 ZINC001582743879 1166072751 /nfs/dbraw/zinc/07/27/51/1166072751.db2.gz MFABAMSCHGHNCD-UHFFFAOYSA-N -1 1 313.277 0.154 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCc2n[nH]c(=O)cc2C1 ZINC001582743879 1166072756 /nfs/dbraw/zinc/07/27/56/1166072756.db2.gz MFABAMSCHGHNCD-UHFFFAOYSA-N -1 1 313.277 0.154 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCN2C(=O)OC[C@H]2C1 ZINC001582745099 1166074149 /nfs/dbraw/zinc/07/41/49/1166074149.db2.gz RRXIRYYHXVUPNH-MRVPVSSYSA-N -1 1 320.334 0.205 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCNC(=O)c2ccccc21 ZINC001582787390 1166082594 /nfs/dbraw/zinc/08/25/94/1166082594.db2.gz CYFLHKRVKNMNDA-UHFFFAOYSA-N -1 1 324.300 0.850 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCNC(=O)c2ccccc21 ZINC001582787390 1166082598 /nfs/dbraw/zinc/08/25/98/1166082598.db2.gz CYFLHKRVKNMNDA-UHFFFAOYSA-N -1 1 324.300 0.850 20 0 DCADMM Oc1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)CCO2 ZINC001582816656 1166095569 /nfs/dbraw/zinc/09/55/69/1166095569.db2.gz PJBQZCKSQGHUCT-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM Oc1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)CCO2 ZINC001582816656 1166095574 /nfs/dbraw/zinc/09/55/74/1166095574.db2.gz PJBQZCKSQGHUCT-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM c1cnn(-c2cc(CNc3cncc(-c4nnn[n-]4)n3)ccn2)c1 ZINC001582818307 1166096170 /nfs/dbraw/zinc/09/61/70/1166096170.db2.gz DDSYAZJTQJBJJO-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cnn(-c2cc(CNc3cncc(-c4nn[n-]n4)n3)ccn2)c1 ZINC001582818307 1166096178 /nfs/dbraw/zinc/09/61/78/1166096178.db2.gz DDSYAZJTQJBJJO-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C=Cc2cn(C)cn2)n1 ZINC001584180911 1166312917 /nfs/dbraw/zinc/31/29/17/1166312917.db2.gz WRTGDSLJDAOQQL-CYNONHLPSA-N -1 1 318.337 0.606 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NCc2nc(C(N)=O)cs2)c1 ZINC001584872129 1166378459 /nfs/dbraw/zinc/37/84/59/1166378459.db2.gz NXAIZWCFAGMLMC-UHFFFAOYSA-N -1 1 319.342 0.999 20 0 DCADMM C=CC(=O)N(CC)CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001586106329 1166479464 /nfs/dbraw/zinc/47/94/64/1166479464.db2.gz XPVFYJKUVRXXLS-CQSZACIVSA-N -1 1 314.349 0.440 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NC2CN(c3ccncn3)C2)c1 ZINC001587774466 1166511523 /nfs/dbraw/zinc/51/15/23/1166511523.db2.gz XPKBMEOIOYJQNA-UHFFFAOYSA-N -1 1 312.329 0.922 20 0 DCADMM CC(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588810617 1166594312 /nfs/dbraw/zinc/59/43/12/1166594312.db2.gz BCAKZOURTMQEJI-CYBMUJFWSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588810617 1166594320 /nfs/dbraw/zinc/59/43/20/1166594320.db2.gz BCAKZOURTMQEJI-CYBMUJFWSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001588810776 1166595379 /nfs/dbraw/zinc/59/53/79/1166595379.db2.gz JVLAWSKAGZBRIH-JTQLQIEISA-N -1 1 318.337 0.400 20 0 DCADMM CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001588810776 1166595387 /nfs/dbraw/zinc/59/53/87/1166595387.db2.gz JVLAWSKAGZBRIH-JTQLQIEISA-N -1 1 318.337 0.400 20 0 DCADMM CC(=O)N1CCC(NC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001588812083 1166595523 /nfs/dbraw/zinc/59/55/23/1166595523.db2.gz JUZPVNPSVVKYHM-UHFFFAOYSA-N -1 1 304.310 0.200 20 0 DCADMM CC(=O)N1CCC(NC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001588812083 1166595530 /nfs/dbraw/zinc/59/55/30/1166595530.db2.gz JUZPVNPSVVKYHM-UHFFFAOYSA-N -1 1 304.310 0.200 20 0 DCADMM CC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588812089 1166595568 /nfs/dbraw/zinc/59/55/68/1166595568.db2.gz KAXVURMMROALGF-KOLCDFICSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588812089 1166595576 /nfs/dbraw/zinc/59/55/76/1166595576.db2.gz KAXVURMMROALGF-KOLCDFICSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CCC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588816165 1166596552 /nfs/dbraw/zinc/59/65/52/1166596552.db2.gz VKALWFAJHVJRIK-GXSJLCMTSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588816165 1166596556 /nfs/dbraw/zinc/59/65/56/1166596556.db2.gz VKALWFAJHVJRIK-GXSJLCMTSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N[C@H]1CC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588839294 1166602345 /nfs/dbraw/zinc/60/23/45/1166602345.db2.gz BPSRPZSWVQWNHE-WPRPVWTQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H]1CC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588839294 1166602354 /nfs/dbraw/zinc/60/23/54/1166602354.db2.gz BPSRPZSWVQWNHE-WPRPVWTQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)NC(C)(C)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001588831442 1166603332 /nfs/dbraw/zinc/60/33/32/1166603332.db2.gz MKFQOZQFPYFVTN-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM CC(=O)NC(C)(C)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001588831442 1166603335 /nfs/dbraw/zinc/60/33/35/1166603335.db2.gz MKFQOZQFPYFVTN-UHFFFAOYSA-N -1 1 304.310 0.333 20 0 DCADMM CC(=O)N[C@@H](C)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588835384 1166604038 /nfs/dbraw/zinc/60/40/38/1166604038.db2.gz IMVTWSYQJQUFAI-LURJTMIESA-N -1 1 324.291 0.286 20 0 DCADMM CC(=O)N[C@@H](C)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588835384 1166604041 /nfs/dbraw/zinc/60/40/41/1166604041.db2.gz IMVTWSYQJQUFAI-LURJTMIESA-N -1 1 324.291 0.286 20 0 DCADMM CC(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588855757 1166609022 /nfs/dbraw/zinc/60/90/22/1166609022.db2.gz ZPJKSTOJELOLJL-JTQLQIEISA-N -1 1 302.342 0.070 20 0 DCADMM CC(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588855757 1166609025 /nfs/dbraw/zinc/60/90/25/1166609025.db2.gz ZPJKSTOJELOLJL-JTQLQIEISA-N -1 1 302.342 0.070 20 0 DCADMM CC(=O)NCCCCCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588862132 1166610189 /nfs/dbraw/zinc/61/01/89/1166610189.db2.gz NXOVGOGXRSXRJE-UHFFFAOYSA-N -1 1 317.353 0.897 20 0 DCADMM CC(=O)NCCCCCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588862132 1166610193 /nfs/dbraw/zinc/61/01/93/1166610193.db2.gz NXOVGOGXRSXRJE-UHFFFAOYSA-N -1 1 317.353 0.897 20 0 DCADMM C[C@H](C(=O)N1CC[C@@H]1c1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951600 1166621297 /nfs/dbraw/zinc/62/12/97/1166621297.db2.gz GVDJCXIWRAYURI-ZYHUDNBSSA-N -1 1 324.348 0.993 20 0 DCADMM C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001588965662 1166621319 /nfs/dbraw/zinc/62/13/19/1166621319.db2.gz HWAUNDOKSBAOHY-AEJSXWLSSA-N -1 1 304.358 0.809 20 0 DCADMM C[C@@H](C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)n1cnc(-c2nn[n-]n2)n1 ZINC001588973208 1166623793 /nfs/dbraw/zinc/62/37/93/1166623793.db2.gz POKOQEZCRXWBDU-JXUBOQSCSA-N -1 1 302.342 0.324 20 0 DCADMM C[C@H](C(=O)N[C@H]1C[C@@H]1c1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588972764 1166624097 /nfs/dbraw/zinc/62/40/97/1166624097.db2.gz MIYJYTVMIYPPBF-JLLWLGSASA-N -1 1 324.348 0.692 20 0 DCADMM C[C@H](C(=O)NC(C)(C)C(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588966440 1166624999 /nfs/dbraw/zinc/62/49/99/1166624999.db2.gz ZWKBVAZEEPUVEY-RXMQYKEDSA-N -1 1 300.273 0.179 20 0 DCADMM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001589006624 1166626806 /nfs/dbraw/zinc/62/68/06/1166626806.db2.gz JOXJEIMMLHMTAW-CRCLSJGQSA-N -1 1 304.236 0.086 20 0 DCADMM C[C@H](C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001589007186 1166627141 /nfs/dbraw/zinc/62/71/41/1166627141.db2.gz SKKJINVTXMTSMI-GRDBIXFFSA-N -1 1 302.342 0.180 20 0 DCADMM C[C@@H](C(=O)Nc1n[nH]cc1C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589022030 1166628988 /nfs/dbraw/zinc/62/89/88/1166628988.db2.gz USRCMQBMSURYOH-LURJTMIESA-N -1 1 314.313 0.258 20 0 DCADMM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001589030568 1166630634 /nfs/dbraw/zinc/63/06/34/1166630634.db2.gz OCXOBLKZKPPOPZ-LURJTMIESA-N -1 1 316.364 0.405 20 0 DCADMM CC(C)(C)CC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(N)=O ZINC001589123259 1166635802 /nfs/dbraw/zinc/63/58/02/1166635802.db2.gz MOTOGXOURBJWIE-QMMMGPOBSA-N -1 1 304.358 0.171 20 0 DCADMM CC(C)(C)OC(=O)CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589151859 1166637069 /nfs/dbraw/zinc/63/70/69/1166637069.db2.gz VFHZCTLVSNSKLS-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CC(C)(C)OC(=O)CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589151859 1166637074 /nfs/dbraw/zinc/63/70/74/1166637074.db2.gz VFHZCTLVSNSKLS-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CC(C)=CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001589361405 1166651588 /nfs/dbraw/zinc/65/15/88/1166651588.db2.gz MQEWJGXMTZPUNF-JTQLQIEISA-N -1 1 316.369 0.564 20 0 DCADMM CC(C)=CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001589361405 1166651593 /nfs/dbraw/zinc/65/15/93/1166651593.db2.gz MQEWJGXMTZPUNF-JTQLQIEISA-N -1 1 316.369 0.564 20 0 DCADMM CC(C)C(=O)OCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589412819 1166657405 /nfs/dbraw/zinc/65/74/05/1166657405.db2.gz ULZWPIALQIZQOY-UHFFFAOYSA-N -1 1 305.294 0.618 20 0 DCADMM CC(C)C(=O)OCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589412819 1166657408 /nfs/dbraw/zinc/65/74/08/1166657408.db2.gz ULZWPIALQIZQOY-UHFFFAOYSA-N -1 1 305.294 0.618 20 0 DCADMM CC(C)[C@@]1(CO)CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589494628 1166663531 /nfs/dbraw/zinc/66/35/31/1166663531.db2.gz OLSJOFQPHLCYRB-AWEZNQCLSA-N -1 1 303.370 0.892 20 0 DCADMM CC(C)[C@@]1(CO)CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589494628 1166663535 /nfs/dbraw/zinc/66/35/35/1166663535.db2.gz OLSJOFQPHLCYRB-AWEZNQCLSA-N -1 1 303.370 0.892 20 0 DCADMM CC(C)CC(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001589536375 1166665306 /nfs/dbraw/zinc/66/53/06/1166665306.db2.gz MSAHVXJALTYAHX-UHFFFAOYSA-N -1 1 304.358 0.043 20 0 DCADMM CC(C)COC(=O)[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589638203 1166671449 /nfs/dbraw/zinc/67/14/49/1166671449.db2.gz BETBMWOYQPRWBR-VIFPVBQESA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)COC(=O)[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589638203 1166671453 /nfs/dbraw/zinc/67/14/53/1166671453.db2.gz BETBMWOYQPRWBR-VIFPVBQESA-N -1 1 318.337 0.579 20 0 DCADMM CC(C)NC(=O)CN(C)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589719938 1166676823 /nfs/dbraw/zinc/67/68/23/1166676823.db2.gz NLCMGUQVYUAVAE-UHFFFAOYSA-N -1 1 320.328 0.602 20 0 DCADMM CC(C)NC(=O)CN(C)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589719938 1166676826 /nfs/dbraw/zinc/67/68/26/1166676826.db2.gz NLCMGUQVYUAVAE-UHFFFAOYSA-N -1 1 320.328 0.602 20 0 DCADMM CC(C)OC(=O)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001589731128 1166678185 /nfs/dbraw/zinc/67/81/85/1166678185.db2.gz YIEZRMXNXGLLPK-UHFFFAOYSA-N -1 1 317.353 0.825 20 0 DCADMM CC(C)OC(=O)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001589731128 1166678187 /nfs/dbraw/zinc/67/81/87/1166678187.db2.gz YIEZRMXNXGLLPK-UHFFFAOYSA-N -1 1 317.353 0.825 20 0 DCADMM CC(C)OCC(C)(C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589746293 1166681931 /nfs/dbraw/zinc/68/19/31/1166681931.db2.gz MYJFGINKTMTXSP-UHFFFAOYSA-N -1 1 322.373 0.925 20 0 DCADMM CC(C)OCC(C)(C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589746293 1166681936 /nfs/dbraw/zinc/68/19/36/1166681936.db2.gz MYJFGINKTMTXSP-UHFFFAOYSA-N -1 1 322.373 0.925 20 0 DCADMM CC(C)[C@@H]1C[C@H]1NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001589763306 1166683007 /nfs/dbraw/zinc/68/30/07/1166683007.db2.gz BPIISPFZLUKAFV-DTWKUNHWSA-N -1 1 308.367 0.585 20 0 DCADMM CC(C)Oc1cccnc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589760577 1166683277 /nfs/dbraw/zinc/68/32/77/1166683277.db2.gz JYZNHLNHAJILPR-UHFFFAOYSA-N -1 1 314.309 0.516 20 0 DCADMM C[C@H](C[C@@H]1CCOC1)OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589803903 1166691112 /nfs/dbraw/zinc/69/11/12/1166691112.db2.gz VXGRUCSLONHGKD-BBBLOLIVSA-N -1 1 321.341 0.378 20 0 DCADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC1 ZINC001589832065 1166694840 /nfs/dbraw/zinc/69/48/40/1166694840.db2.gz QLYLSCHUZMDABN-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC1 ZINC001589832065 1166694845 /nfs/dbraw/zinc/69/48/45/1166694845.db2.gz QLYLSCHUZMDABN-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM CC(C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589837665 1166698105 /nfs/dbraw/zinc/69/81/05/1166698105.db2.gz GQSFLKKVCYSUOK-VIFPVBQESA-N -1 1 304.358 0.572 20 0 DCADMM CC(C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589837665 1166698108 /nfs/dbraw/zinc/69/81/08/1166698108.db2.gz GQSFLKKVCYSUOK-VIFPVBQESA-N -1 1 304.358 0.572 20 0 DCADMM C[C@H](CN1CCCC1=O)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589849250 1166700289 /nfs/dbraw/zinc/70/02/89/1166700289.db2.gz MXVSCJSAHMNAMN-SECBINFHSA-N -1 1 315.337 0.002 20 0 DCADMM C[C@H](CN1CCCC1=O)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589849250 1166700291 /nfs/dbraw/zinc/70/02/91/1166700291.db2.gz MXVSCJSAHMNAMN-SECBINFHSA-N -1 1 315.337 0.002 20 0 DCADMM C[C@H](COCC1CC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589886615 1166708899 /nfs/dbraw/zinc/70/88/99/1166708899.db2.gz VDXCMUPLLORHBT-SECBINFHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](COCC1CC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589886615 1166708905 /nfs/dbraw/zinc/70/89/05/1166708905.db2.gz VDXCMUPLLORHBT-SECBINFHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)N(C)C ZINC001589945781 1166728864 /nfs/dbraw/zinc/72/88/64/1166728864.db2.gz BEHSFMGPZIJJQM-ZETCQYMHSA-N -1 1 306.301 0.212 20 0 DCADMM C[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)N(C)C ZINC001589945781 1166728871 /nfs/dbraw/zinc/72/88/71/1166728871.db2.gz BEHSFMGPZIJJQM-ZETCQYMHSA-N -1 1 306.301 0.212 20 0 DCADMM C[C@](NCc1ccc(-c2nnn[n-]2)o1)(C(N)=O)c1ccccc1 ZINC001589969332 1166733442 /nfs/dbraw/zinc/73/34/42/1166733442.db2.gz ZCUQUDBXMBOPDN-OAHLLOKOSA-N -1 1 312.333 0.950 20 0 DCADMM C[C@](NCc1ccc(-c2nn[n-]n2)o1)(C(N)=O)c1ccccc1 ZINC001589969332 1166733447 /nfs/dbraw/zinc/73/34/47/1166733447.db2.gz ZCUQUDBXMBOPDN-OAHLLOKOSA-N -1 1 312.333 0.950 20 0 DCADMM C[C@@]1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCCOC1 ZINC001590069430 1166762455 /nfs/dbraw/zinc/76/24/55/1166762455.db2.gz ZAYDMRMPLGCADD-GFCCVEGCSA-N -1 1 308.367 0.756 20 0 DCADMM C[C@@]1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCCOC1 ZINC001590069430 1166762459 /nfs/dbraw/zinc/76/24/59/1166762459.db2.gz ZAYDMRMPLGCADD-GFCCVEGCSA-N -1 1 308.367 0.756 20 0 DCADMM CC1(C)C[C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C(=O)O1 ZINC001590080781 1166767852 /nfs/dbraw/zinc/76/78/52/1166767852.db2.gz QMFVDURYBGYPGZ-SNVBAGLBSA-N -1 1 316.321 0.015 20 0 DCADMM CC1(C)C[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C(=O)O1 ZINC001590080781 1166767859 /nfs/dbraw/zinc/76/78/59/1166767859.db2.gz QMFVDURYBGYPGZ-SNVBAGLBSA-N -1 1 316.321 0.015 20 0 DCADMM CC1(C)C[C@@H]1C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590088104 1166771669 /nfs/dbraw/zinc/77/16/69/1166771669.db2.gz JSYCFQVTJPDOEI-MRVPVSSYSA-N -1 1 302.342 0.231 20 0 DCADMM CC1(C)C[C@@H]1C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590088104 1166771677 /nfs/dbraw/zinc/77/16/77/1166771677.db2.gz JSYCFQVTJPDOEI-MRVPVSSYSA-N -1 1 302.342 0.231 20 0 DCADMM CC1(C)C[N@@H+](CCNc2cc(-c3nn[nH]n3)ccn2)CCO1 ZINC001590105198 1166774261 /nfs/dbraw/zinc/77/42/61/1166774261.db2.gz ZMZIJNNZVYYOSL-UHFFFAOYSA-N -1 1 303.370 0.784 20 0 DCADMM CC1(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001590129915 1166785850 /nfs/dbraw/zinc/78/58/50/1166785850.db2.gz VFYSUCVMYCJESU-UHFFFAOYSA-N -1 1 315.337 0.507 20 0 DCADMM CC1(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001590129915 1166785857 /nfs/dbraw/zinc/78/58/57/1166785857.db2.gz VFYSUCVMYCJESU-UHFFFAOYSA-N -1 1 315.337 0.507 20 0 DCADMM CC1=NO[C@@](C)(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)C1 ZINC001590161885 1166792807 /nfs/dbraw/zinc/79/28/07/1166792807.db2.gz ITIHBCHCTCYIPO-GFCCVEGCSA-N -1 1 304.314 0.402 20 0 DCADMM CC1=NO[C@@](C)(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)C1 ZINC001590161885 1166792809 /nfs/dbraw/zinc/79/28/09/1166792809.db2.gz ITIHBCHCTCYIPO-GFCCVEGCSA-N -1 1 304.314 0.402 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C(=O)O1 ZINC001590198220 1166809602 /nfs/dbraw/zinc/80/96/02/1166809602.db2.gz AUGVEPDLBDBVLI-POYBYMJQSA-N -1 1 303.282 0.087 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C(=O)O1 ZINC001590198220 1166809607 /nfs/dbraw/zinc/80/96/07/1166809607.db2.gz AUGVEPDLBDBVLI-POYBYMJQSA-N -1 1 303.282 0.087 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ncnn21 ZINC001590201886 1166812587 /nfs/dbraw/zinc/81/25/87/1166812587.db2.gz DYRNFSDETASYER-XCBNKYQSSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ncnn21 ZINC001590201886 1166812596 /nfs/dbraw/zinc/81/25/96/1166812596.db2.gz DYRNFSDETASYER-XCBNKYQSSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590221516 1166818737 /nfs/dbraw/zinc/81/87/37/1166818737.db2.gz XWTSRPJKGJTZHN-VXNVDRBHSA-N -1 1 300.322 0.929 20 0 DCADMM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590226275 1166819850 /nfs/dbraw/zinc/81/98/50/1166819850.db2.gz NSLPDNAOWPKEQR-JGVFFNPUSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590226275 1166819856 /nfs/dbraw/zinc/81/98/56/1166819856.db2.gz NSLPDNAOWPKEQR-JGVFFNPUSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@@H]1CCCC[C@@H]1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC001590252176 1166826213 /nfs/dbraw/zinc/82/62/13/1166826213.db2.gz LDTDOCLVAVMLGH-NXEZZACHSA-N -1 1 304.354 0.553 20 0 DCADMM C[C@@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590245746 1166826552 /nfs/dbraw/zinc/82/65/52/1166826552.db2.gz ZFWJEOIOFABQPE-ZJUUUORDSA-N -1 1 304.358 0.543 20 0 DCADMM C[C@@H](C(=O)NC[C@@H]1CCC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590246142 1166826963 /nfs/dbraw/zinc/82/69/63/1166826963.db2.gz BTMUWKJKILPNLL-UTLUCORTSA-N -1 1 304.358 0.572 20 0 DCADMM C[C@@H]1CCC[C@]1(O)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590247547 1166827310 /nfs/dbraw/zinc/82/73/10/1166827310.db2.gz JVCIOQJCIJVXEB-OQPBUACISA-N -1 1 320.357 0.273 20 0 DCADMM C[C@@H]1CCC[C@]1(O)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590247547 1166827316 /nfs/dbraw/zinc/82/73/16/1166827316.db2.gz JVCIOQJCIJVXEB-OQPBUACISA-N -1 1 320.357 0.273 20 0 DCADMM C[C@@H]1CCCN(C(=O)CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590259316 1166828420 /nfs/dbraw/zinc/82/84/20/1166828420.db2.gz ZNVLAFGPUWJGKA-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM C[C@@H]1CCCN(C(=O)CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590259316 1166828427 /nfs/dbraw/zinc/82/84/27/1166828427.db2.gz ZNVLAFGPUWJGKA-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM C[C@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H]1CCO ZINC001590259906 1166829169 /nfs/dbraw/zinc/82/91/69/1166829169.db2.gz CVHOATHKLVEBPM-GWCFXTLKSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H]1CCO ZINC001590259906 1166829171 /nfs/dbraw/zinc/82/91/71/1166829171.db2.gz CVHOATHKLVEBPM-GWCFXTLKSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001590263091 1166829418 /nfs/dbraw/zinc/82/94/18/1166829418.db2.gz DWYUWDQUTHFGAD-SECBINFHSA-N -1 1 304.358 0.353 20 0 DCADMM C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2[n-]cc(-c3nn[n-]n3)c2n1 ZINC001590264203 1166830362 /nfs/dbraw/zinc/83/03/62/1166830362.db2.gz KAABMLKQCPBBIT-MRVPVSSYSA-N -1 1 300.326 0.599 20 0 DCADMM C[C@@H]1CCC[N@H+]1Cc1cc(=O)n2[n-]cc(-c3nn[n-]n3)c2n1 ZINC001590264203 1166830367 /nfs/dbraw/zinc/83/03/67/1166830367.db2.gz KAABMLKQCPBBIT-MRVPVSSYSA-N -1 1 300.326 0.599 20 0 DCADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@@H]1CO ZINC001590277327 1166836937 /nfs/dbraw/zinc/83/69/37/1166836937.db2.gz VJKGBGMMFRCRPT-MWLCHTKSSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@@H]1CO ZINC001590277327 1166836941 /nfs/dbraw/zinc/83/69/41/1166836941.db2.gz VJKGBGMMFRCRPT-MWLCHTKSSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](C)CC1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001590283357 1166839846 /nfs/dbraw/zinc/83/98/46/1166839846.db2.gz HFIKBEZPWZLNGW-IUCAKERBSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCC1=O ZINC001590293879 1166842967 /nfs/dbraw/zinc/84/29/67/1166842967.db2.gz IIXSSDBVCWYQIS-QMMMGPOBSA-N -1 1 301.310 0.705 20 0 DCADMM C[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCC1=O ZINC001590293879 1166842971 /nfs/dbraw/zinc/84/29/71/1166842971.db2.gz IIXSSDBVCWYQIS-QMMMGPOBSA-N -1 1 301.310 0.705 20 0 DCADMM C[C@@H]1CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC[C@@H]1O ZINC001590290963 1166843188 /nfs/dbraw/zinc/84/31/88/1166843188.db2.gz LMOHZELVDNNXQT-APPZFPTMSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H]1CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC[C@@H]1O ZINC001590290963 1166843193 /nfs/dbraw/zinc/84/31/93/1166843193.db2.gz LMOHZELVDNNXQT-APPZFPTMSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H](C2CC2)O1 ZINC001590299596 1166849589 /nfs/dbraw/zinc/84/95/89/1166849589.db2.gz IKIGZKVWKRYQOZ-NOZJJQNGSA-N -1 1 314.349 0.901 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H](C2CC2)O1 ZINC001590299596 1166849596 /nfs/dbraw/zinc/84/95/96/1166849596.db2.gz IKIGZKVWKRYQOZ-NOZJJQNGSA-N -1 1 314.349 0.901 20 0 DCADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC(=O)N1C ZINC001590313205 1166857297 /nfs/dbraw/zinc/85/72/97/1166857297.db2.gz LZIBYLFJQKOSSC-QMMMGPOBSA-N -1 1 314.353 0.201 20 0 DCADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC(=O)N1C ZINC001590313205 1166857301 /nfs/dbraw/zinc/85/73/01/1166857301.db2.gz LZIBYLFJQKOSSC-QMMMGPOBSA-N -1 1 314.353 0.201 20 0 DCADMM C[C@@H]1COC[C@H]1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590322621 1166861793 /nfs/dbraw/zinc/86/17/93/1166861793.db2.gz DDIOIEHDECUMOL-LHLIQPBNSA-N -1 1 309.276 0.910 20 0 DCADMM C[C@@H]1COC[C@H]1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590322621 1166861800 /nfs/dbraw/zinc/86/18/00/1166861800.db2.gz DDIOIEHDECUMOL-LHLIQPBNSA-N -1 1 309.276 0.910 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1cccnc1-c1nnn[n-]1)CCO2 ZINC001590333714 1166872104 /nfs/dbraw/zinc/87/21/04/1166872104.db2.gz JNVONWKWYNUBKV-IINYFYTJSA-N -1 1 302.338 0.646 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1cccnc1-c1nn[n-]n1)CCO2 ZINC001590333714 1166872112 /nfs/dbraw/zinc/87/21/12/1166872112.db2.gz JNVONWKWYNUBKV-IINYFYTJSA-N -1 1 302.338 0.646 20 0 DCADMM C[C@H]1SCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590337203 1166873487 /nfs/dbraw/zinc/87/34/87/1166873487.db2.gz OCBTVUZCBNHOKY-PSASIEDQSA-N -1 1 304.379 0.814 20 0 DCADMM C[C@H]1SCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590337203 1166873493 /nfs/dbraw/zinc/87/34/93/1166873493.db2.gz OCBTVUZCBNHOKY-PSASIEDQSA-N -1 1 304.379 0.814 20 0 DCADMM C[C@@H]1OCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)[C@H]1C ZINC001590340020 1166876070 /nfs/dbraw/zinc/87/60/70/1166876070.db2.gz ZCWVPPVRVYSKKH-IUCAKERBSA-N -1 1 303.326 0.903 20 0 DCADMM C[C@@H]1OCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)[C@H]1C ZINC001590340020 1166876082 /nfs/dbraw/zinc/87/60/82/1166876082.db2.gz ZCWVPPVRVYSKKH-IUCAKERBSA-N -1 1 303.326 0.903 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590349460 1166880341 /nfs/dbraw/zinc/88/03/41/1166880341.db2.gz KBNWTVUNODZMGB-RZCNENHTSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590349460 1166880348 /nfs/dbraw/zinc/88/03/48/1166880348.db2.gz KBNWTVUNODZMGB-RZCNENHTSA-N -1 1 314.353 0.318 20 0 DCADMM CCC(=O)N1C[C@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590359581 1166883913 /nfs/dbraw/zinc/88/39/13/1166883913.db2.gz DKDOKCSXNDLMIF-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N1C[C@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590359581 1166883920 /nfs/dbraw/zinc/88/39/20/1166883920.db2.gz DKDOKCSXNDLMIF-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001590361094 1166884341 /nfs/dbraw/zinc/88/43/41/1166884341.db2.gz SIZNZPAYHUXLFT-ZJUUUORDSA-N -1 1 316.369 0.280 20 0 DCADMM CCC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001590360132 1166884515 /nfs/dbraw/zinc/88/45/15/1166884515.db2.gz RJITYMLYTKJZRG-ZJUUUORDSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001590360132 1166884517 /nfs/dbraw/zinc/88/45/17/1166884517.db2.gz RJITYMLYTKJZRG-ZJUUUORDSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590362479 1166886926 /nfs/dbraw/zinc/88/69/26/1166886926.db2.gz ONWUFTPRYVMCPX-UHFFFAOYSA-N -1 1 316.325 0.305 20 0 DCADMM CCC(=O)N1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590362479 1166886930 /nfs/dbraw/zinc/88/69/30/1166886930.db2.gz ONWUFTPRYVMCPX-UHFFFAOYSA-N -1 1 316.325 0.305 20 0 DCADMM CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590379793 1166894196 /nfs/dbraw/zinc/89/41/96/1166894196.db2.gz CDLYMVNYFKPPFR-ZDUSSCGKSA-N -1 1 307.310 0.921 20 0 DCADMM CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590379793 1166894197 /nfs/dbraw/zinc/89/41/97/1166894197.db2.gz CDLYMVNYFKPPFR-ZDUSSCGKSA-N -1 1 307.310 0.921 20 0 DCADMM CC[C@@](C)(CO)NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590381075 1166895539 /nfs/dbraw/zinc/89/55/39/1166895539.db2.gz ICSNBXSENSYZJS-NSHDSACASA-N -1 1 311.371 0.914 20 0 DCADMM CC[C@@](C)(CO)NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590381075 1166895540 /nfs/dbraw/zinc/89/55/40/1166895540.db2.gz 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/nfs/dbraw/zinc/12/66/04/1167126604.db2.gz TUNZIONIYPRBCS-MRVPVSSYSA-N -1 1 306.351 0.279 20 0 DCADMM CN1C[C@H](OC(=O)c2cccc(F)c2-c2nnn[n-]2)CCC1=O ZINC001591172851 1167126951 /nfs/dbraw/zinc/12/69/51/1167126951.db2.gz RJZWKNJSDQKWTJ-MRVPVSSYSA-N -1 1 319.296 0.783 20 0 DCADMM CN1C[C@H](OC(=O)c2cccc(F)c2-c2nn[n-]n2)CCC1=O ZINC001591172851 1167126952 /nfs/dbraw/zinc/12/69/52/1167126952.db2.gz RJZWKNJSDQKWTJ-MRVPVSSYSA-N -1 1 319.296 0.783 20 0 DCADMM CN1CC[C@@](C)(COC(=O)c2ccc(-c3nn[n-]n3)o2)C1=O ZINC001591178975 1167128948 /nfs/dbraw/zinc/12/89/48/1167128948.db2.gz VIAYMXSKWLGADQ-ZDUSSCGKSA-N -1 1 305.294 0.485 20 0 DCADMM CN1CCC[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1=O ZINC001591185055 1167134704 /nfs/dbraw/zinc/13/47/04/1167134704.db2.gz YACSKKBKOROBTM-SNVBAGLBSA-N -1 1 302.294 0.039 20 0 DCADMM CN1CCC[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1=O ZINC001591185055 1167134709 /nfs/dbraw/zinc/13/47/09/1167134709.db2.gz YACSKKBKOROBTM-SNVBAGLBSA-N -1 1 302.294 0.039 20 0 DCADMM 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/nfs/dbraw/zinc/18/66/31/1167186631.db2.gz RMTDDHSJZSVSHY-UHFFFAOYSA-N -1 1 311.323 0.710 20 0 DCADMM COC(=O)CCCC(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001591263205 1167186634 /nfs/dbraw/zinc/18/66/34/1167186634.db2.gz RMTDDHSJZSVSHY-UHFFFAOYSA-N -1 1 311.323 0.710 20 0 DCADMM COC(=O)N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591272689 1167192233 /nfs/dbraw/zinc/19/22/33/1167192233.db2.gz GWDUTHCSQXGSOG-UHFFFAOYSA-N -1 1 303.326 0.146 20 0 DCADMM COC(=O)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591272689 1167192239 /nfs/dbraw/zinc/19/22/39/1167192239.db2.gz GWDUTHCSQXGSOG-UHFFFAOYSA-N -1 1 303.326 0.146 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1CN(c1ncncc1-c1nn[n-]n1)C2 ZINC001591284785 1167200010 /nfs/dbraw/zinc/20/00/10/1167200010.db2.gz WWPJBSBPADJEBX-XPTSAGLGSA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)c1ccc(NC[C@H]2CCC[C@@H]2O)c(-c2nnn[n-]2)n1 ZINC001591295969 1167203472 /nfs/dbraw/zinc/20/34/72/1167203472.db2.gz KPHCXNCJQQCMFM-KCJUWKMLSA-N -1 1 318.337 0.621 20 0 DCADMM COC(=O)c1ccc(NC[C@H]2CCC[C@@H]2O)c(-c2nn[n-]n2)n1 ZINC001591295969 1167203477 /nfs/dbraw/zinc/20/34/77/1167203477.db2.gz KPHCXNCJQQCMFM-KCJUWKMLSA-N -1 1 318.337 0.621 20 0 DCADMM COC(=O)c1ccc(Nc2c[nH]nc2C)c(-c2nnn[n-]2)n1 ZINC001591296683 1167204709 /nfs/dbraw/zinc/20/47/09/1167204709.db2.gz QGKNNDSOAOOWKV-UHFFFAOYSA-N -1 1 300.282 0.823 20 0 DCADMM COC(=O)c1ccc(Nc2c[nH]nc2C)c(-c2nn[n-]n2)n1 ZINC001591296683 1167204715 /nfs/dbraw/zinc/20/47/15/1167204715.db2.gz QGKNNDSOAOOWKV-UHFFFAOYSA-N -1 1 300.282 0.823 20 0 DCADMM COC(C)(C)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001591314464 1167208771 /nfs/dbraw/zinc/20/87/71/1167208771.db2.gz QNHBGTYHSYJWFR-UHFFFAOYSA-N -1 1 306.326 0.431 20 0 DCADMM CO[C@](C)(C(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001591314187 1167210908 /nfs/dbraw/zinc/21/09/08/1167210908.db2.gz IIXWZLXEPJIWJQ-LBPRGKRZSA-N -1 1 308.367 0.755 20 0 DCADMM CO[C@](C)(C(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001591314187 1167210914 /nfs/dbraw/zinc/21/09/14/1167210914.db2.gz IIXWZLXEPJIWJQ-LBPRGKRZSA-N -1 1 308.367 0.755 20 0 DCADMM COC1(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001591341493 1167222683 /nfs/dbraw/zinc/22/26/83/1167222683.db2.gz XQZUTRROPBTCOL-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM COC1(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001591341493 1167222691 /nfs/dbraw/zinc/22/26/91/1167222691.db2.gz XQZUTRROPBTCOL-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591355114 1167231248 /nfs/dbraw/zinc/23/12/48/1167231248.db2.gz SDKLXBFJEPYUEF-DTWKUNHWSA-N -1 1 323.382 0.642 20 0 DCADMM CO[C@@H]1CC[C@@H]1N(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591355114 1167231255 /nfs/dbraw/zinc/23/12/55/1167231255.db2.gz SDKLXBFJEPYUEF-DTWKUNHWSA-N -1 1 323.382 0.642 20 0 DCADMM CO[C@H]1COCC[C@H]1N(C)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591361132 1167236503 /nfs/dbraw/zinc/23/65/03/1167236503.db2.gz JTNXJBOQYDXJLU-MNOVXSKESA-N -1 1 304.354 0.810 20 0 DCADMM CO[C@H]1COCC[C@H]1N(C)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591361132 1167236512 /nfs/dbraw/zinc/23/65/12/1167236512.db2.gz JTNXJBOQYDXJLU-MNOVXSKESA-N -1 1 304.354 0.810 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)c1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591361134 1167237601 /nfs/dbraw/zinc/23/76/01/1167237601.db2.gz JTNXJBOQYDXJLU-WDEREUQCSA-N -1 1 304.354 0.810 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)c1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591361134 1167237609 /nfs/dbraw/zinc/23/76/09/1167237609.db2.gz JTNXJBOQYDXJLU-WDEREUQCSA-N -1 1 304.354 0.810 20 0 DCADMM COC[C@@H](C)OC[C@@H](O)COc1cccnc1-c1nnn[n-]1 ZINC001591374665 1167243861 /nfs/dbraw/zinc/24/38/61/1167243861.db2.gz GRKGENOZBQOWOA-NXEZZACHSA-N -1 1 309.326 0.053 20 0 DCADMM COC[C@@H](C)OC[C@@H](O)COc1cccnc1-c1nn[n-]n1 ZINC001591374665 1167243864 /nfs/dbraw/zinc/24/38/64/1167243864.db2.gz GRKGENOZBQOWOA-NXEZZACHSA-N -1 1 309.326 0.053 20 0 DCADMM COCC1(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC001591388897 1167257906 /nfs/dbraw/zinc/25/79/06/1167257906.db2.gz MKCZRVMDTTUUFP-SECBINFHSA-N -1 1 320.357 0.095 20 0 DCADMM COCC1(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCCC1 ZINC001591388467 1167258861 /nfs/dbraw/zinc/25/88/61/1167258861.db2.gz FZKHZGLTBILZJT-UHFFFAOYSA-N -1 1 320.353 0.781 20 0 DCADMM COCC1(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCCC1 ZINC001591388467 1167258868 /nfs/dbraw/zinc/25/88/68/1167258868.db2.gz FZKHZGLTBILZJT-UHFFFAOYSA-N -1 1 320.353 0.781 20 0 DCADMM COCC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001591399828 1167269137 /nfs/dbraw/zinc/26/91/37/1167269137.db2.gz YFCDIGOORCAGMN-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM COCC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001591399828 1167269145 /nfs/dbraw/zinc/26/91/45/1167269145.db2.gz YFCDIGOORCAGMN-RXMQYKEDSA-N -1 1 304.763 0.786 20 0 DCADMM COCCCONC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591417232 1167274898 /nfs/dbraw/zinc/27/48/98/1167274898.db2.gz OXDWKUAOFCCNKO-UHFFFAOYSA-N -1 1 313.264 0.843 20 0 DCADMM COCCCONC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591417232 1167274908 /nfs/dbraw/zinc/27/49/08/1167274908.db2.gz OXDWKUAOFCCNKO-UHFFFAOYSA-N -1 1 313.264 0.843 20 0 DCADMM COCCCOC1(Cn2cc(-c3nn[n-]n3)nn2)CCCC1 ZINC001591416006 1167275881 /nfs/dbraw/zinc/27/58/81/1167275881.db2.gz GAKXGOXFWXZJHP-UHFFFAOYSA-N -1 1 307.358 0.824 20 0 DCADMM COCCN(Cn1cccc(-c2nnn[n-]2)c1=O)C1CCCC1 ZINC001591429359 1167280260 /nfs/dbraw/zinc/28/02/60/1167280260.db2.gz SEBQNSWOOGNKAC-UHFFFAOYSA-N -1 1 318.381 0.877 20 0 DCADMM COCCO[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001591432983 1167284799 /nfs/dbraw/zinc/28/47/99/1167284799.db2.gz LEOMYWDUNRSJHQ-SNVBAGLBSA-N -1 1 305.342 0.289 20 0 DCADMM COCCO[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591434712 1167285853 /nfs/dbraw/zinc/28/58/53/1167285853.db2.gz UQMHPUOMIWGATP-LLVKDONJSA-N -1 1 318.337 0.139 20 0 DCADMM COCCO[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591434712 1167285858 /nfs/dbraw/zinc/28/58/58/1167285858.db2.gz UQMHPUOMIWGATP-LLVKDONJSA-N -1 1 318.337 0.139 20 0 DCADMM COCc1nc(COC(=O)c2ccc(-c3nn[n-]n3)o2)no1 ZINC001591460290 1167295150 /nfs/dbraw/zinc/29/51/50/1167295150.db2.gz SOKZXPIXNCHIDD-UHFFFAOYSA-N -1 1 306.238 0.346 20 0 DCADMM CON(C)C(=O)Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001591463265 1167295797 /nfs/dbraw/zinc/29/57/97/1167295797.db2.gz UACJTRAHPJPBGL-UHFFFAOYSA-N -1 1 320.334 0.263 20 0 DCADMM CO[C@H](C)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001591473975 1167303979 /nfs/dbraw/zinc/30/39/79/1167303979.db2.gz WRFICGAFVIQZDY-SSDOTTSWSA-N -1 1 315.330 0.319 20 0 DCADMM COc1ccc(C(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC)c1 ZINC001591571802 1167332555 /nfs/dbraw/zinc/33/25/55/1167332555.db2.gz ZQGLUVFZDXRPQQ-UHFFFAOYSA-N -1 1 315.293 0.358 20 0 DCADMM COc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)nc1Cl ZINC001591575330 1167333600 /nfs/dbraw/zinc/33/36/00/1167333600.db2.gz XVVGRLBDJZVXPS-UHFFFAOYSA-N -1 1 320.700 0.391 20 0 DCADMM COc1ccncc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591656427 1167340156 /nfs/dbraw/zinc/34/01/56/1167340156.db2.gz ZIJANNKHGYMJSV-UHFFFAOYSA-N -1 1 311.305 0.847 20 0 DCADMM COc1ncc(NC(=O)COC(F)F)cc1-c1nn[n-]n1 ZINC001591664818 1167343670 /nfs/dbraw/zinc/34/36/70/1167343670.db2.gz SNJGGRIKSGOZRJ-UHFFFAOYSA-N -1 1 300.225 0.448 20 0 DCADMM COc1ncc(NC(=O)Cc2ccon2)cc1-c1nn[n-]n1 ZINC001591665075 1167346603 /nfs/dbraw/zinc/34/66/03/1167346603.db2.gz WOTNKYIMDRERDT-UHFFFAOYSA-N -1 1 301.266 0.440 20 0 DCADMM CS[C@H](CO)[C@@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591690731 1167354320 /nfs/dbraw/zinc/35/43/20/1167354320.db2.gz TWGUDYGHUWRNBU-GMSGAONNSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@H](CO)[C@@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591690731 1167354328 /nfs/dbraw/zinc/35/43/28/1167354328.db2.gz TWGUDYGHUWRNBU-GMSGAONNSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@H]1C[C@@H](OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591702647 1167358318 /nfs/dbraw/zinc/35/83/18/1167358318.db2.gz PGOSNBZXJMOFRP-BIIVOSGPSA-N -1 1 309.355 0.456 20 0 DCADMM C[C@@H](CCNC(=O)C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001591720230 1167360359 /nfs/dbraw/zinc/36/03/59/1167360359.db2.gz YHNFNMLHXPVYLO-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CCNC(=O)C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001591720230 1167360367 /nfs/dbraw/zinc/36/03/67/1167360367.db2.gz YHNFNMLHXPVYLO-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM CSc1nc(CNc2ncncc2-c2nn[nH]n2)cc(=O)[n-]1 ZINC001591716448 1167362313 /nfs/dbraw/zinc/36/23/13/1167362313.db2.gz SDMSXMTZINDBGZ-UHFFFAOYSA-N -1 1 317.338 0.486 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCOCC2CC2)nn1C ZINC001591796057 1167380348 /nfs/dbraw/zinc/38/03/48/1167380348.db2.gz BTTFXNBADBUASK-UHFFFAOYSA-N -1 1 305.342 0.664 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCOCC2CC2)nn1C ZINC001591796057 1167380353 /nfs/dbraw/zinc/38/03/53/1167380353.db2.gz BTTFXNBADBUASK-UHFFFAOYSA-N -1 1 305.342 0.664 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H](O)C(F)(F)F)n1 ZINC001591895865 1167413135 /nfs/dbraw/zinc/41/31/35/1167413135.db2.gz WGIMOUJQEMYFQN-SSDOTTSWSA-N -1 1 303.248 0.690 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H](O)C(F)(F)F)n1 ZINC001591895865 1167413138 /nfs/dbraw/zinc/41/31/38/1167413138.db2.gz WGIMOUJQEMYFQN-SSDOTTSWSA-N -1 1 303.248 0.690 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@@H](C(N)=O)C2)n1 ZINC001591893067 1167413597 /nfs/dbraw/zinc/41/35/97/1167413597.db2.gz YWKLOQAOOXTCRW-RKDXNWHRSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@@H](C(N)=O)C2)n1 ZINC001591893067 1167413603 /nfs/dbraw/zinc/41/36/03/1167413603.db2.gz YWKLOQAOOXTCRW-RKDXNWHRSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](CC(N)=O)c2ccccc2)n1 ZINC001591902341 1167415909 /nfs/dbraw/zinc/41/59/09/1167415909.db2.gz VRLXSOQMOWWOOW-LLVKDONJSA-N -1 1 324.348 0.994 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](CC(N)=O)c2ccccc2)n1 ZINC001591902341 1167415911 /nfs/dbraw/zinc/41/59/11/1167415911.db2.gz VRLXSOQMOWWOOW-LLVKDONJSA-N -1 1 324.348 0.994 20 0 DCADMM Cc1cc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)on1 ZINC001591970820 1167429003 /nfs/dbraw/zinc/42/90/03/1167429003.db2.gz ZEEKIBMNEIDFHY-SSDOTTSWSA-N -1 1 304.270 0.059 20 0 DCADMM Cc1cc(N[C@@H](CO)[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592035744 1167441992 /nfs/dbraw/zinc/44/19/92/1167441992.db2.gz SCLSFJBPOUGXJC-MFKMUULPSA-N -1 1 304.354 0.191 20 0 DCADMM Cc1cc(N[C@@H](CO)[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592035744 1167441998 /nfs/dbraw/zinc/44/19/98/1167441998.db2.gz SCLSFJBPOUGXJC-MFKMUULPSA-N -1 1 304.354 0.191 20 0 DCADMM Cc1cc(N[C@H]2COc3ccccc3[C@@H]2O)cc(-c2nnn[n-]2)n1 ZINC001592040485 1167444889 /nfs/dbraw/zinc/44/48/89/1167444889.db2.gz ZCCDDSBIRXIERZ-ZFWWWQNUSA-N -1 1 324.344 0.899 20 0 DCADMM Cc1cc(N[C@H]2COc3ccccc3[C@@H]2O)cc(-c2nn[n-]n2)n1 ZINC001592040485 1167444893 /nfs/dbraw/zinc/44/48/93/1167444893.db2.gz ZCCDDSBIRXIERZ-ZFWWWQNUSA-N -1 1 324.344 0.899 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](CO)[C@H]1CCOC1 ZINC001592114094 1167459521 /nfs/dbraw/zinc/45/95/21/1167459521.db2.gz NVEKNITWKXAUNZ-QWRGUYRKSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cccc2ncnc(NCCn3cnc(-c4nn[n-]n4)n3)c12 ZINC001592246435 1167477655 /nfs/dbraw/zinc/47/76/55/1167477655.db2.gz QGHGMQVCJXPPIT-UHFFFAOYSA-N -1 1 322.336 0.822 20 0 DCADMM Cc1ccnc(CNC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001592271717 1167482550 /nfs/dbraw/zinc/48/25/50/1167482550.db2.gz JCHNLGUPWGAXGS-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1ccnc(CNC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001592271717 1167482555 /nfs/dbraw/zinc/48/25/55/1167482555.db2.gz JCHNLGUPWGAXGS-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1cnn(CC(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)c1 ZINC001592305081 1167486138 /nfs/dbraw/zinc/48/61/38/1167486138.db2.gz XORMDMLVIIFPOW-UHFFFAOYSA-N -1 1 301.314 0.052 20 0 DCADMM Cc1cnn(CC(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)c1 ZINC001592305081 1167486145 /nfs/dbraw/zinc/48/61/45/1167486145.db2.gz XORMDMLVIIFPOW-UHFFFAOYSA-N -1 1 301.314 0.052 20 0 DCADMM Cc1csc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001592315820 1167486417 /nfs/dbraw/zinc/48/64/17/1167486417.db2.gz CFVAKLVEOVVLST-ZCFIWIBFSA-N -1 1 305.327 0.423 20 0 DCADMM Cc1[nH]c(C=O)cc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001592330643 1167491389 /nfs/dbraw/zinc/49/13/89/1167491389.db2.gz PZKSCMDMEHFDCF-UHFFFAOYSA-N -1 1 300.282 0.600 20 0 DCADMM Cc1nc(N2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)n[nH]1 ZINC001592328694 1167491459 /nfs/dbraw/zinc/49/14/59/1167491459.db2.gz YFZHHFLELIDRHV-UHFFFAOYSA-N -1 1 312.341 0.015 20 0 DCADMM Cc1nc(N2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)n[nH]1 ZINC001592328694 1167491464 /nfs/dbraw/zinc/49/14/64/1167491464.db2.gz YFZHHFLELIDRHV-UHFFFAOYSA-N -1 1 312.341 0.015 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)n1 ZINC001592338022 1167492896 /nfs/dbraw/zinc/49/28/96/1167492896.db2.gz SPPZJXISAMFGFI-UWVGGRQHSA-N -1 1 314.353 0.070 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)n1 ZINC001592338022 1167492900 /nfs/dbraw/zinc/49/29/00/1167492900.db2.gz SPPZJXISAMFGFI-UWVGGRQHSA-N -1 1 314.353 0.070 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCCC[C@@H]2O)n1 ZINC001592338574 1167494450 /nfs/dbraw/zinc/49/44/50/1167494450.db2.gz IELYZCKODZVBRN-JQWIXIFHSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCCC[C@@H]2O)n1 ZINC001592338574 1167494455 /nfs/dbraw/zinc/49/44/55/1167494455.db2.gz IELYZCKODZVBRN-JQWIXIFHSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[S@](=O)C[C@H](C)C2)n1 ZINC001592341152 1167495903 /nfs/dbraw/zinc/49/59/03/1167495903.db2.gz MSNFVBGKWPAGKZ-ZEDNOMKYSA-N -1 1 307.383 0.170 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[S@](=O)C[C@H](C)C2)n1 ZINC001592341152 1167495907 /nfs/dbraw/zinc/49/59/07/1167495907.db2.gz MSNFVBGKWPAGKZ-ZEDNOMKYSA-N -1 1 307.383 0.170 20 0 DCADMM Cc1nc([C@@H](C)OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)no1 ZINC001592353362 1167500855 /nfs/dbraw/zinc/50/08/55/1167500855.db2.gz CUQPRYAJMIJJQO-NTSWFWBYSA-N -1 1 319.285 0.015 20 0 DCADMM Cc1nc(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)no1 ZINC001592361173 1167503992 /nfs/dbraw/zinc/50/39/92/1167503992.db2.gz DWEOUVLSRNWTOQ-UHFFFAOYSA-N -1 1 301.266 0.239 20 0 DCADMM Cc1nc(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)no1 ZINC001592361173 1167503995 /nfs/dbraw/zinc/50/39/95/1167503995.db2.gz DWEOUVLSRNWTOQ-UHFFFAOYSA-N -1 1 301.266 0.239 20 0 DCADMM Cc1ncccc1C=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001592424536 1167516970 /nfs/dbraw/zinc/51/69/70/1167516970.db2.gz CASPQXGYXZPXIK-AATRIKPKSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1ncccc1C=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001592424536 1167516974 /nfs/dbraw/zinc/51/69/74/1167516974.db2.gz CASPQXGYXZPXIK-AATRIKPKSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1nnc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1C1CC1 ZINC001592446722 1167527535 /nfs/dbraw/zinc/52/75/35/1167527535.db2.gz HVSATXFBOKFERE-UHFFFAOYSA-N -1 1 311.309 0.749 20 0 DCADMM Cc1nnc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1C1CC1 ZINC001592446722 1167527537 /nfs/dbraw/zinc/52/75/37/1167527537.db2.gz HVSATXFBOKFERE-UHFFFAOYSA-N -1 1 311.309 0.749 20 0 DCADMM Cc1nnsc1CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001592453632 1167530309 /nfs/dbraw/zinc/53/03/09/1167530309.db2.gz CQWOUOVVUHIVTN-UHFFFAOYSA-N -1 1 305.323 0.858 20 0 DCADMM Cc1nnsc1CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001592453632 1167530314 /nfs/dbraw/zinc/53/03/14/1167530314.db2.gz CQWOUOVVUHIVTN-UHFFFAOYSA-N -1 1 305.323 0.858 20 0 DCADMM Cc1nnsc1C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001592452366 1167530841 /nfs/dbraw/zinc/53/08/41/1167530841.db2.gz OSBAJBMQFOMAAK-UHFFFAOYSA-N -1 1 305.327 0.321 20 0 DCADMM Cc1nnsc1C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001592452366 1167530846 /nfs/dbraw/zinc/53/08/46/1167530846.db2.gz OSBAJBMQFOMAAK-UHFFFAOYSA-N -1 1 305.327 0.321 20 0 DCADMM Cc1nsc(N(C)C(=O)[C@@]2(F)CCOC2)c1-c1nnn[n-]1 ZINC001592468614 1167531386 /nfs/dbraw/zinc/53/13/86/1167531386.db2.gz OBXUYSPVQOJJKL-LLVKDONJSA-N -1 1 312.330 0.723 20 0 DCADMM Cc1nsc(N(C)C(=O)[C@@]2(F)CCOC2)c1-c1nn[n-]n1 ZINC001592468614 1167531393 /nfs/dbraw/zinc/53/13/93/1167531393.db2.gz OBXUYSPVQOJJKL-LLVKDONJSA-N -1 1 312.330 0.723 20 0 DCADMM Cc1nsc(N(C)C(=O)C2=COCCO2)c1-c1nnn[n-]1 ZINC001592468830 1167531488 /nfs/dbraw/zinc/53/14/88/1167531488.db2.gz SFLZVNPQRGQHAB-UHFFFAOYSA-N -1 1 308.323 0.483 20 0 DCADMM Cc1nsc(N(C)C(=O)C2=COCCO2)c1-c1nn[n-]n1 ZINC001592468830 1167531497 /nfs/dbraw/zinc/53/14/97/1167531497.db2.gz SFLZVNPQRGQHAB-UHFFFAOYSA-N -1 1 308.323 0.483 20 0 DCADMM Cc1noc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592461879 1167531853 /nfs/dbraw/zinc/53/18/53/1167531853.db2.gz IDNBMOGVPFNDGH-UHFFFAOYSA-N -1 1 300.282 0.225 20 0 DCADMM Cc1noc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592461879 1167531859 /nfs/dbraw/zinc/53/18/59/1167531859.db2.gz IDNBMOGVPFNDGH-UHFFFAOYSA-N -1 1 300.282 0.225 20 0 DCADMM Cc1nsc(NC(=O)[C@H]2C[C@@]23CCOC3)c1-c1nnn[n-]1 ZINC001592479846 1167534295 /nfs/dbraw/zinc/53/42/95/1167534295.db2.gz QPXXPEXGCHKNJU-JMCQJSRRSA-N -1 1 306.351 0.997 20 0 DCADMM Cc1nsc(NC(=O)[C@H]2C[C@@]23CCOC3)c1-c1nn[n-]n1 ZINC001592479846 1167534298 /nfs/dbraw/zinc/53/42/98/1167534298.db2.gz QPXXPEXGCHKNJU-JMCQJSRRSA-N -1 1 306.351 0.997 20 0 DCADMM Cc1nsc(NC(=O)NCC2(CO)CC2)c1-c1nnn[n-]1 ZINC001592481403 1167534571 /nfs/dbraw/zinc/53/45/71/1167534571.db2.gz NTIIXKMQELVLBK-UHFFFAOYSA-N -1 1 309.355 0.526 20 0 DCADMM Cc1nsc(NC(=O)NCC2(CO)CC2)c1-c1nn[n-]n1 ZINC001592481403 1167534577 /nfs/dbraw/zinc/53/45/77/1167534577.db2.gz NTIIXKMQELVLBK-UHFFFAOYSA-N -1 1 309.355 0.526 20 0 DCADMM Cc1nsc(NC(=O)NCc2ccnn2C)c1-c1nnn[n-]1 ZINC001592483082 1167536869 /nfs/dbraw/zinc/53/68/69/1167536869.db2.gz BMOFRLYUWFREDX-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1nsc(NC(=O)NCc2ccnn2C)c1-c1nn[n-]n1 ZINC001592483082 1167536873 /nfs/dbraw/zinc/53/68/73/1167536873.db2.gz BMOFRLYUWFREDX-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1nsc(Oc2cncc(C(N)=O)c2)c1-c1nnn[n-]1 ZINC001592494141 1167537803 /nfs/dbraw/zinc/53/78/03/1167537803.db2.gz GTICQMXOLVSZAR-UHFFFAOYSA-N -1 1 303.307 0.918 20 0 DCADMM Cc1nsc(Oc2cncc(C(N)=O)c2)c1-c1nn[n-]n1 ZINC001592494141 1167537808 /nfs/dbraw/zinc/53/78/08/1167537808.db2.gz GTICQMXOLVSZAR-UHFFFAOYSA-N -1 1 303.307 0.918 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CO[C@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC001592517259 1167548546 /nfs/dbraw/zinc/54/85/46/1167548546.db2.gz GHZIEJZTOASBIP-KOLCDFICSA-N -1 1 318.337 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CO[C@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001592517259 1167548548 /nfs/dbraw/zinc/54/85/48/1167548548.db2.gz GHZIEJZTOASBIP-KOLCDFICSA-N -1 1 318.337 0.389 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@]23C[C@H]2COC3(C)C)n1 ZINC001592559679 1167560407 /nfs/dbraw/zinc/56/04/07/1167560407.db2.gz FPDJCUOMKYPGHX-WPPNPWJKSA-N -1 1 318.341 0.289 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@]23C[C@H]2COC3(C)C)n1 ZINC001592559679 1167560416 /nfs/dbraw/zinc/56/04/16/1167560416.db2.gz FPDJCUOMKYPGHX-WPPNPWJKSA-N -1 1 318.341 0.289 20 0 DCADMM Cn1cc(N2CC[C@@H](Nc3ccnc(-c4nnn[n-]4)c3)C2)cn1 ZINC001592576885 1167569081 /nfs/dbraw/zinc/56/90/81/1167569081.db2.gz XECUVEUIVMDXEY-LLVKDONJSA-N -1 1 311.353 0.108 20 0 DCADMM Cn1cc(N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)c3)C2)cn1 ZINC001592576885 1167569098 /nfs/dbraw/zinc/56/90/98/1167569098.db2.gz XECUVEUIVMDXEY-LLVKDONJSA-N -1 1 311.353 0.108 20 0 DCADMM Cn1ccnc1[C@H]1N(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001592585113 1167571010 /nfs/dbraw/zinc/57/10/10/1167571010.db2.gz OSQODRDBBZDLFO-LLVKDONJSA-N -1 1 311.353 0.978 20 0 DCADMM Cn1ccnc1[C@H]1N(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001592585113 1167571012 /nfs/dbraw/zinc/57/10/12/1167571012.db2.gz OSQODRDBBZDLFO-LLVKDONJSA-N -1 1 311.353 0.978 20 0 DCADMM Cn1ncc(CCCNC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001592600641 1167579803 /nfs/dbraw/zinc/57/98/03/1167579803.db2.gz PFSNUZYSPNRANN-UHFFFAOYSA-N -1 1 318.366 0.419 20 0 DCADMM Cn1nccc1C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001592607602 1167580898 /nfs/dbraw/zinc/58/08/98/1167580898.db2.gz HXJKGPBZFSZEOX-NSHDSACASA-N -1 1 311.353 0.602 20 0 DCADMM Cn1nccc1C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001592607602 1167580903 /nfs/dbraw/zinc/58/09/03/1167580903.db2.gz HXJKGPBZFSZEOX-NSHDSACASA-N -1 1 311.353 0.602 20 0 DCADMM Cn1nnnc1CCSc1cccc(F)c1-c1nn[n-]n1 ZINC001592613147 1167585104 /nfs/dbraw/zinc/58/51/04/1167585104.db2.gz MKWFOPQVHMGSEE-UHFFFAOYSA-N -1 1 306.330 0.864 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592719603 1167611993 /nfs/dbraw/zinc/61/19/93/1167611993.db2.gz FVAATFUNVVCBLS-HTQZYQBOSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592719603 1167611996 /nfs/dbraw/zinc/61/19/96/1167611996.db2.gz FVAATFUNVVCBLS-HTQZYQBOSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@@H]1CCCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592720866 1167614460 /nfs/dbraw/zinc/61/44/60/1167614460.db2.gz OZPOVGNAZCFRFC-RKDXNWHRSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@@H]1CCCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592720866 1167614466 /nfs/dbraw/zinc/61/44/66/1167614466.db2.gz OZPOVGNAZCFRFC-RKDXNWHRSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@@H]1CCN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001592720769 1167614618 /nfs/dbraw/zinc/61/46/18/1167614618.db2.gz QJFHRCZUMIEFNF-ZCFIWIBFSA-N -1 1 322.275 0.092 20 0 DCADMM NC(=O)[C@@H]1CCN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001592720769 1167614621 /nfs/dbraw/zinc/61/46/21/1167614621.db2.gz QJFHRCZUMIEFNF-ZCFIWIBFSA-N -1 1 322.275 0.092 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001592726177 1167616740 /nfs/dbraw/zinc/61/67/40/1167616740.db2.gz WUTYWNUPFMOUJW-SECBINFHSA-N -1 1 302.342 0.139 20 0 DCADMM NS(=O)(=O)c1cccc(N2CC[C@@H](F)C2)c1-c1nn[n-]n1 ZINC001592747999 1167630056 /nfs/dbraw/zinc/63/00/56/1167630056.db2.gz HVRRYVPSXIOYTQ-SSDOTTSWSA-N -1 1 312.330 0.062 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CSCc1ccccn1 ZINC001592753475 1167631265 /nfs/dbraw/zinc/63/12/65/1167631265.db2.gz SSOUCIAHTYRRTR-UHFFFAOYSA-N -1 1 316.350 0.614 20 0 DCADMM Nc1ccnc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)n1 ZINC001592760771 1167635898 /nfs/dbraw/zinc/63/58/98/1167635898.db2.gz SCZRJBNCTROBKU-UHFFFAOYSA-N -1 1 308.265 0.181 20 0 DCADMM Nc1ccnc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)n1 ZINC001592760771 1167635900 /nfs/dbraw/zinc/63/59/00/1167635900.db2.gz SCZRJBNCTROBKU-UHFFFAOYSA-N -1 1 308.265 0.181 20 0 DCADMM O=C(C=Cc1ccccc1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592794059 1167643473 /nfs/dbraw/zinc/64/34/73/1167643473.db2.gz JAAGEISFSNQNKS-SREVYHEPSA-N -1 1 310.321 0.288 20 0 DCADMM O=C(CCNc1ccnc(-c2nn[n-]n2)n1)Nc1ccccc1 ZINC001592844464 1167649065 /nfs/dbraw/zinc/64/90/65/1167649065.db2.gz BZXMOWJKZRRNLC-UHFFFAOYSA-N -1 1 310.321 0.519 20 0 DCADMM O=C(CCNc1ncncc1-c1nn[n-]n1)N1CCCCC1 ZINC001592844451 1167649451 /nfs/dbraw/zinc/64/94/51/1167649451.db2.gz BOPAYABDZIUPOU-UHFFFAOYSA-N -1 1 302.342 0.471 20 0 DCADMM O=C(CN1CCCCC1=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592867183 1167652053 /nfs/dbraw/zinc/65/20/53/1167652053.db2.gz OGQUGYUGYDTTJO-UHFFFAOYSA-N -1 1 305.294 0.515 20 0 DCADMM O=C(CN1CCCCC1=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592867183 1167652057 /nfs/dbraw/zinc/65/20/57/1167652057.db2.gz OGQUGYUGYDTTJO-UHFFFAOYSA-N -1 1 305.294 0.515 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@](O)(C(F)F)C1 ZINC001592913487 1167663212 /nfs/dbraw/zinc/66/32/12/1167663212.db2.gz JQVPOSYVZFRBFH-CYBMUJFWSA-N -1 1 324.291 0.033 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@](O)(C(F)F)C1 ZINC001592913487 1167663214 /nfs/dbraw/zinc/66/32/14/1167663214.db2.gz JQVPOSYVZFRBFH-CYBMUJFWSA-N -1 1 324.291 0.033 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)N[C@@H]1CCCc2ccccc21 ZINC001592936714 1167667459 /nfs/dbraw/zinc/66/74/59/1167667459.db2.gz YMURPOAIFNXCTA-GFCCVEGCSA-N -1 1 324.348 0.652 20 0 DCADMM O=C(Cc1ccon1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592928386 1167668383 /nfs/dbraw/zinc/66/83/83/1167668383.db2.gz KDDWBRJDRBALSC-UHFFFAOYSA-N -1 1 300.282 0.636 20 0 DCADMM O=C(N[C@@H](CCO)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001592950397 1167671801 /nfs/dbraw/zinc/67/18/01/1167671801.db2.gz XDUXGHQNMGFJHM-ZETCQYMHSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(N[C@@H](CCO)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001592950397 1167671805 /nfs/dbraw/zinc/67/18/05/1167671805.db2.gz XDUXGHQNMGFJHM-ZETCQYMHSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(N[C@H](CO)C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001592953828 1167671923 /nfs/dbraw/zinc/67/19/23/1167671923.db2.gz PFKQIFILACINOZ-DTWKUNHWSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@H](CO)C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001592953828 1167671927 /nfs/dbraw/zinc/67/19/27/1167671927.db2.gz PFKQIFILACINOZ-DTWKUNHWSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@@H](CO)CC(F)(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001592953100 1167671966 /nfs/dbraw/zinc/67/19/66/1167671966.db2.gz ABIUQGLKHGDPAB-SSDOTTSWSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(N[C@@H](CO)CC(F)(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001592953100 1167671968 /nfs/dbraw/zinc/67/19/68/1167671968.db2.gz ABIUQGLKHGDPAB-SSDOTTSWSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(N=S1(=O)CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001592948273 1167672565 /nfs/dbraw/zinc/67/25/65/1167672565.db2.gz NLFNFHIGHSCROQ-UHFFFAOYSA-N -1 1 313.364 0.567 20 0 DCADMM O=C(N=S1(=O)CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001592948273 1167672569 /nfs/dbraw/zinc/67/25/69/1167672569.db2.gz NLFNFHIGHSCROQ-UHFFFAOYSA-N -1 1 313.364 0.567 20 0 DCADMM O=C(NCC1(CF)CCOCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593016356 1167688231 /nfs/dbraw/zinc/68/82/31/1167688231.db2.gz OQXJBFKPCCXYSI-UHFFFAOYSA-N -1 1 309.301 0.956 20 0 DCADMM O=C(NCC1(CF)CCOCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593016356 1167688234 /nfs/dbraw/zinc/68/82/34/1167688234.db2.gz OQXJBFKPCCXYSI-UHFFFAOYSA-N -1 1 309.301 0.956 20 0 DCADMM O=C(NCC1(CO)CCOCC1)c1ccsc1-c1nnn[n-]1 ZINC001593015562 1167688403 /nfs/dbraw/zinc/68/84/03/1167688403.db2.gz IODZBEASJMMPNR-UHFFFAOYSA-N -1 1 323.378 0.447 20 0 DCADMM O=C(NCC1(CO)CCOCC1)c1ccsc1-c1nn[n-]n1 ZINC001593015562 1167688407 /nfs/dbraw/zinc/68/84/07/1167688407.db2.gz IODZBEASJMMPNR-UHFFFAOYSA-N -1 1 323.378 0.447 20 0 DCADMM O=C(NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593030719 1167690773 /nfs/dbraw/zinc/69/07/73/1167690773.db2.gz PNYUEEUNSYMSKO-SUZMYJTESA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593030719 1167690777 /nfs/dbraw/zinc/69/07/77/1167690777.db2.gz PNYUEEUNSYMSKO-SUZMYJTESA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NCC[C@H](O)C(F)(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001593057582 1167694835 /nfs/dbraw/zinc/69/48/35/1167694835.db2.gz VQQVQESBLTZDHD-QMMMGPOBSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(NCC[C@H](O)C(F)(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001593057582 1167694840 /nfs/dbraw/zinc/69/48/40/1167694840.db2.gz VQQVQESBLTZDHD-QMMMGPOBSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(NCC=CCNc1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001593053935 1167695048 /nfs/dbraw/zinc/69/50/48/1167695048.db2.gz XVUPCAARELDCOU-OWOJBTEDSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCC=CCNc1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001593053935 1167695054 /nfs/dbraw/zinc/69/50/54/1167695054.db2.gz XVUPCAARELDCOU-OWOJBTEDSA-N -1 1 314.353 0.541 20 0 DCADMM O=C(NCCC[C@H]1CCOC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593067365 1167696548 /nfs/dbraw/zinc/69/65/48/1167696548.db2.gz YUQRIASSHKLMRG-JTQLQIEISA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCC[C@H]1CCOC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593067365 1167696552 /nfs/dbraw/zinc/69/65/52/1167696552.db2.gz YUQRIASSHKLMRG-JTQLQIEISA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)[C@]12C[C@H]1CCC2 ZINC001593095607 1167707160 /nfs/dbraw/zinc/70/71/60/1167707160.db2.gz IHPVSBWLPJIRLH-YMTOWFKASA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)[C@]12C[C@H]1CCC2 ZINC001593095607 1167707166 /nfs/dbraw/zinc/70/71/66/1167707166.db2.gz IHPVSBWLPJIRLH-YMTOWFKASA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCc1ccc(O)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593106204 1167707960 /nfs/dbraw/zinc/70/79/60/1167707960.db2.gz YBJDDNKPWJCKLW-UHFFFAOYSA-N -1 1 310.317 0.940 20 0 DCADMM O=C(NCCc1ccc(O)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593106204 1167707967 /nfs/dbraw/zinc/70/79/67/1167707967.db2.gz YBJDDNKPWJCKLW-UHFFFAOYSA-N -1 1 310.317 0.940 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001593112498 1167712510 /nfs/dbraw/zinc/71/25/10/1167712510.db2.gz OGSQSQNTVFDNJN-UHFFFAOYSA-N -1 1 320.263 0.166 20 0 DCADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)C1=C[S@](=O)CCC1 ZINC001593171253 1167730546 /nfs/dbraw/zinc/73/05/46/1167730546.db2.gz RRGZWTYSFNIICB-JOCHJYFZSA-N -1 1 319.346 0.703 20 0 DCADMM O=C(N[C@]12C[C@H]1COC2)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593182048 1167732060 /nfs/dbraw/zinc/73/20/60/1167732060.db2.gz OCXAUSFBULMPMV-CPFSXVBKSA-N -1 1 307.260 0.664 20 0 DCADMM O=C(N[C@]12C[C@H]1COC2)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593182048 1167732064 /nfs/dbraw/zinc/73/20/64/1167732064.db2.gz OCXAUSFBULMPMV-CPFSXVBKSA-N -1 1 307.260 0.664 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C(=O)c1ccc(F)cc1 ZINC001593195854 1167735046 /nfs/dbraw/zinc/73/50/46/1167735046.db2.gz HLSXKIQKMDUBAX-UHFFFAOYSA-N -1 1 301.241 0.550 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C(=O)c1ccc(F)cc1 ZINC001593195854 1167735053 /nfs/dbraw/zinc/73/50/53/1167735053.db2.gz HLSXKIQKMDUBAX-UHFFFAOYSA-N -1 1 301.241 0.550 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCO[C@H](CF)C1 ZINC001593244640 1167744609 /nfs/dbraw/zinc/74/46/09/1167744609.db2.gz WFDWISGMYSFOIE-MRVPVSSYSA-N -1 1 307.289 0.464 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCO[C@H](CF)C1 ZINC001593244640 1167744616 /nfs/dbraw/zinc/74/46/16/1167744616.db2.gz WFDWISGMYSFOIE-MRVPVSSYSA-N -1 1 307.289 0.464 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)C(=O)c1ccc2c(c1)CCC2 ZINC001593260015 1167747490 /nfs/dbraw/zinc/74/74/90/1167747490.db2.gz IDWGNYNTUGCRSV-UHFFFAOYSA-N -1 1 323.316 0.900 20 0 DCADMM O=C(Nc1ncc2c(c1-c1nn[n-]n1)COCC2)C1(F)CC1 ZINC001593268303 1167749086 /nfs/dbraw/zinc/74/90/86/1167749086.db2.gz LNUKKLDQSXJAOI-UHFFFAOYSA-N -1 1 304.285 0.775 20 0 DCADMM O=C(OC1CCS(=O)CC1)c1csc(-c2nnn[n-]2)c1 ZINC001593280185 1167754276 /nfs/dbraw/zinc/75/42/76/1167754276.db2.gz HCUOCNOOFSDERF-UHFFFAOYSA-N -1 1 312.376 0.996 20 0 DCADMM O=C(OC1CCS(=O)CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593280185 1167754286 /nfs/dbraw/zinc/75/42/86/1167754286.db2.gz HCUOCNOOFSDERF-UHFFFAOYSA-N -1 1 312.376 0.996 20 0 DCADMM O=C(COC(=O)c1ccnc(-c2nnn[n-]2)c1)c1cscn1 ZINC001593282610 1167756973 /nfs/dbraw/zinc/75/69/73/1167756973.db2.gz DHPXKIDGLXOKHJ-UHFFFAOYSA-N -1 1 316.302 0.758 20 0 DCADMM O=C(COC(=O)c1ccnc(-c2nn[n-]n2)c1)c1cscn1 ZINC001593282610 1167756983 /nfs/dbraw/zinc/75/69/83/1167756983.db2.gz DHPXKIDGLXOKHJ-UHFFFAOYSA-N -1 1 316.302 0.758 20 0 DCADMM O=C(OCCCN1CCOC1=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001593287626 1167762382 /nfs/dbraw/zinc/76/23/82/1167762382.db2.gz KNTACDRNZFFYKP-UHFFFAOYSA-N -1 1 318.293 0.261 20 0 DCADMM O=C(OCCCN1CCOC1=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001593287626 1167762390 /nfs/dbraw/zinc/76/23/90/1167762390.db2.gz KNTACDRNZFFYKP-UHFFFAOYSA-N -1 1 318.293 0.261 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1C1OCCO1 ZINC001593337132 1167777692 /nfs/dbraw/zinc/77/76/92/1167777692.db2.gz QCFZHAJBYOJQHW-NSHDSACASA-N -1 1 316.321 0.239 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1C1OCCO1 ZINC001593337132 1167777699 /nfs/dbraw/zinc/77/76/99/1167777699.db2.gz QCFZHAJBYOJQHW-NSHDSACASA-N -1 1 316.321 0.239 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCn2nncc2C1 ZINC001593338094 1167779168 /nfs/dbraw/zinc/77/91/68/1167779168.db2.gz KIYJQFFPAMGJKJ-UHFFFAOYSA-N -1 1 316.350 0.566 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCn2nncc2C1 ZINC001593338094 1167779176 /nfs/dbraw/zinc/77/91/76/1167779176.db2.gz KIYJQFFPAMGJKJ-UHFFFAOYSA-N -1 1 316.350 0.566 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@](O)(C(F)F)C1 ZINC001593339489 1167781172 /nfs/dbraw/zinc/78/11/72/1167781172.db2.gz SKQZWUVFZPQXKC-NSHDSACASA-N -1 1 315.305 0.770 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@](O)(C(F)F)C1 ZINC001593339489 1167781182 /nfs/dbraw/zinc/78/11/82/1167781182.db2.gz SKQZWUVFZPQXKC-NSHDSACASA-N -1 1 315.305 0.770 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCO[C@@H]2CCC[C@@H]21 ZINC001593359037 1167785028 /nfs/dbraw/zinc/78/50/28/1167785028.db2.gz ULSUYSHXNZYPJM-NWDGAFQWSA-N -1 1 300.322 0.655 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCO[C@@H]2CCC[C@@H]21 ZINC001593359037 1167785039 /nfs/dbraw/zinc/78/50/39/1167785039.db2.gz ULSUYSHXNZYPJM-NWDGAFQWSA-N -1 1 300.322 0.655 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC(C2CCOCC2)C1 ZINC001593358104 1167786016 /nfs/dbraw/zinc/78/60/16/1167786016.db2.gz BUXNEUBDMYIUOV-UHFFFAOYSA-N -1 1 314.349 0.760 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC(C2CCOCC2)C1 ZINC001593358104 1167786021 /nfs/dbraw/zinc/78/60/21/1167786021.db2.gz BUXNEUBDMYIUOV-UHFFFAOYSA-N -1 1 314.349 0.760 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H](OCCO)C1 ZINC001593368091 1167788740 /nfs/dbraw/zinc/78/87/40/1167788740.db2.gz RJSLQCPPMPNWFV-SNVBAGLBSA-N -1 1 307.310 0.073 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H](OCCO)C1 ZINC001593368091 1167788751 /nfs/dbraw/zinc/78/87/51/1167788751.db2.gz RJSLQCPPMPNWFV-SNVBAGLBSA-N -1 1 307.310 0.073 20 0 DCADMM O=C1[C@@H]2CSCN2C(=O)N1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593377501 1167791638 /nfs/dbraw/zinc/79/16/38/1167791638.db2.gz GZLSHAPMEGSTIO-ZETCQYMHSA-N -1 1 306.307 0.297 20 0 DCADMM O=C1[C@@H]2CSCN2C(=O)N1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593377501 1167791651 /nfs/dbraw/zinc/79/16/51/1167791651.db2.gz GZLSHAPMEGSTIO-ZETCQYMHSA-N -1 1 306.307 0.297 20 0 DCADMM O=C1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C(=O)N1 ZINC001593391600 1167800806 /nfs/dbraw/zinc/80/08/06/1167800806.db2.gz ZHKAATUIKPKYNO-VKHMYHEASA-N -1 1 313.730 0.194 20 0 DCADMM O=C1CCCN1C[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001593392201 1167801808 /nfs/dbraw/zinc/80/18/08/1167801808.db2.gz PBLAULDAOLPWGR-SNVBAGLBSA-N -1 1 314.353 0.105 20 0 DCADMM O=C1CCCN1C[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001593392201 1167801823 /nfs/dbraw/zinc/80/18/23/1167801823.db2.gz PBLAULDAOLPWGR-SNVBAGLBSA-N -1 1 314.353 0.105 20 0 DCADMM O=C1CCCN1C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001593392590 1167805538 /nfs/dbraw/zinc/80/55/38/1167805538.db2.gz JYNAJPDMNSMXQB-UHFFFAOYSA-N -1 1 304.379 0.735 20 0 DCADMM O=C1O[C@H](COc2ccc(F)nc2-c2nn[n-]n2)CC12CC2 ZINC001593413580 1167826134 /nfs/dbraw/zinc/82/61/34/1167826134.db2.gz VPZGITOTTPVVFE-ZETCQYMHSA-N -1 1 305.269 0.875 20 0 DCADMM O=S(=O)(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001593443837 1167842670 /nfs/dbraw/zinc/84/26/70/1167842670.db2.gz ATUVKURUPXGDDX-UHFFFAOYSA-N -1 1 315.305 0.727 20 0 DCADMM O=S(=O)(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001593443837 1167842676 /nfs/dbraw/zinc/84/26/76/1167842676.db2.gz ATUVKURUPXGDDX-UHFFFAOYSA-N -1 1 315.305 0.727 20 0 DCADMM O=S(=O)(NC[C@H]1C=CCC1)c1cccnc1-c1nn[n-]n1 ZINC001593439427 1167842885 /nfs/dbraw/zinc/84/28/85/1167842885.db2.gz RYORBSJWNHZMAU-VIFPVBQESA-N -1 1 306.351 0.506 20 0 DCADMM O=[S@@]1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593467075 1167857926 /nfs/dbraw/zinc/85/79/26/1167857926.db2.gz RNGLYDJXADNCQF-SXUWGWPLSA-N -1 1 310.770 0.625 20 0 DCADMM O=[S@@]1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593467075 1167857928 /nfs/dbraw/zinc/85/79/28/1167857928.db2.gz RNGLYDJXADNCQF-SXUWGWPLSA-N -1 1 310.770 0.625 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1cccc(-n2cccn2)c1 ZINC001593494289 1167876948 /nfs/dbraw/zinc/87/69/48/1167876948.db2.gz NAESPFFBFNXDKP-UHFFFAOYSA-N -1 1 320.316 0.657 20 0 DCADMM O=c1c(-c2nn[n-]n2)cnc2ncn(CC3CC(F)(F)C3)n21 ZINC001593493657 1167877448 /nfs/dbraw/zinc/87/74/48/1167877448.db2.gz AONMVBIVIFJCEZ-UHFFFAOYSA-N -1 1 308.252 0.116 20 0 DCADMM O=c1c(Br)cncn1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593495106 1167880177 /nfs/dbraw/zinc/88/01/77/1167880177.db2.gz VKHGXXPBNXPLHV-UHFFFAOYSA-N -1 1 323.110 0.827 20 0 DCADMM O=c1c(Br)cncn1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593495106 1167880182 /nfs/dbraw/zinc/88/01/82/1167880182.db2.gz VKHGXXPBNXPLHV-UHFFFAOYSA-N -1 1 323.110 0.827 20 0 DCADMM O=c1c2ccncc2ncn1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593495265 1167881303 /nfs/dbraw/zinc/88/13/03/1167881303.db2.gz ZPTQJHRDVRDYEN-UHFFFAOYSA-N -1 1 312.318 0.476 20 0 DCADMM O=c1c2ccncc2ncn1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593495265 1167881309 /nfs/dbraw/zinc/88/13/09/1167881309.db2.gz ZPTQJHRDVRDYEN-UHFFFAOYSA-N -1 1 312.318 0.476 20 0 DCADMM O[C@H]1c2ccccc2OC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001593522769 1167897634 /nfs/dbraw/zinc/89/76/34/1167897634.db2.gz SDBRMZIYGLMGIQ-GWCFXTLKSA-N -1 1 311.305 0.563 20 0 DCADMM O[C@H]1c2ccccc2OC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001593522769 1167897641 /nfs/dbraw/zinc/89/76/41/1167897641.db2.gz SDBRMZIYGLMGIQ-GWCFXTLKSA-N -1 1 311.305 0.563 20 0 DCADMM OC[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@@H]1O ZINC001593529277 1167905475 /nfs/dbraw/zinc/90/54/75/1167905475.db2.gz SRZHAKSPGQWBPK-XPTSAGLGSA-N -1 1 312.333 0.204 20 0 DCADMM OC[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H]1O ZINC001593529277 1167905485 /nfs/dbraw/zinc/90/54/85/1167905485.db2.gz SRZHAKSPGQWBPK-XPTSAGLGSA-N -1 1 312.333 0.204 20 0 DCADMM c1cc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)on1 ZINC001593549937 1167933628 /nfs/dbraw/zinc/93/36/28/1167933628.db2.gz IDAUCSQYFSBBOK-UHFFFAOYSA-N -1 1 312.337 0.572 20 0 DCADMM c1cc(N[C@@H]2CCO[C@@]3(CCSC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593558710 1167935489 /nfs/dbraw/zinc/93/54/89/1167935489.db2.gz PJCAUHUSAZBWRW-RNCFNFMXSA-N -1 1 319.394 0.545 20 0 DCADMM c1cc(N[C@H]2CCO[C@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593558090 1167938889 /nfs/dbraw/zinc/93/88/89/1167938889.db2.gz IKKMPJHVSFGVHS-SMDDNHRTSA-N -1 1 302.338 0.434 20 0 DCADMM c1cc(N[C@H]2CCO[C@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593558090 1167938896 /nfs/dbraw/zinc/93/88/96/1167938896.db2.gz IKKMPJHVSFGVHS-SMDDNHRTSA-N -1 1 302.338 0.434 20 0 DCADMM c1nc2ccccc2n1CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001593582168 1167949140 /nfs/dbraw/zinc/94/91/40/1167949140.db2.gz FIKAKPXSTKRWDK-UHFFFAOYSA-N -1 1 321.348 0.931 20 0 DCADMM c1cn([C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001593582405 1167950608 /nfs/dbraw/zinc/95/06/08/1167950608.db2.gz PRVOSESHIQSJCV-JTQLQIEISA-N -1 1 312.341 0.480 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CCO[C@]3(CCCOC3)C2)n1 ZINC001593591222 1167953756 /nfs/dbraw/zinc/95/37/56/1167953756.db2.gz IQFHGGKAMBTQBS-CYBMUJFWSA-N -1 1 303.326 0.043 20 0 DCADMM 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ZINC001606166293 1170096946 /nfs/dbraw/zinc/09/69/46/1170096946.db2.gz AJUGKPHHBOADQB-UHFFFAOYSA-N -1 1 323.378 0.756 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1(CO)CCSCC1 ZINC001606166293 1170096955 /nfs/dbraw/zinc/09/69/55/1170096955.db2.gz AJUGKPHHBOADQB-UHFFFAOYSA-N -1 1 323.378 0.756 20 0 DCADMM Cc1nsc(NCCCc2nnnn2C)c1-c1nn[n-]n1 ZINC001606160225 1170097170 /nfs/dbraw/zinc/09/71/70/1170097170.db2.gz WQCVQCUZXPFNQA-UHFFFAOYSA-N -1 1 306.359 0.200 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001606166208 1170098970 /nfs/dbraw/zinc/09/89/70/1170098970.db2.gz PVFRHCWVPMOBFI-CQSZACIVSA-N -1 1 316.321 0.120 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001606166208 1170098976 /nfs/dbraw/zinc/09/89/76/1170098976.db2.gz PVFRHCWVPMOBFI-CQSZACIVSA-N -1 1 316.321 0.120 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cncnc1N(C)C ZINC001606169418 1170101472 /nfs/dbraw/zinc/10/14/72/1170101472.db2.gz KTGQGCMRLNQMNY-UHFFFAOYSA-N -1 1 314.309 0.876 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cncnc1N(C)C ZINC001606169418 1170101477 /nfs/dbraw/zinc/10/14/77/1170101477.db2.gz KTGQGCMRLNQMNY-UHFFFAOYSA-N -1 1 314.309 0.876 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)c1cnn(C)c1 ZINC001606169968 1170102140 /nfs/dbraw/zinc/10/21/40/1170102140.db2.gz VHGMGQHTVOOPEV-UHFFFAOYSA-N -1 1 316.277 0.541 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)c1cnn(C)c1 ZINC001606169968 1170102147 /nfs/dbraw/zinc/10/21/47/1170102147.db2.gz VHGMGQHTVOOPEV-UHFFFAOYSA-N -1 1 316.277 0.541 20 0 DCADMM Cc1onc(CC(=O)N2CCC(=O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001606178854 1170104672 /nfs/dbraw/zinc/10/46/72/1170104672.db2.gz YDWMPBJGSKNNGK-ZETCQYMHSA-N -1 1 304.310 0.143 20 0 DCADMM Cc1onc(CC(=O)N2CCC(=O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001606178854 1170104678 /nfs/dbraw/zinc/10/46/78/1170104678.db2.gz YDWMPBJGSKNNGK-ZETCQYMHSA-N -1 1 304.310 0.143 20 0 DCADMM CN1C[C@H](NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C(C)(C)C1 ZINC001606203621 1170111323 /nfs/dbraw/zinc/11/13/23/1170111323.db2.gz WEJUATGEXZSJHY-WOPDTQHZSA-N -1 1 318.439 0.889 20 0 DCADMM Cn1cc(C(=O)O[C@H]2C[C@@H](C(=O)[O-])[N@@H+](C)C2)c(C(F)(F)F)n1 ZINC001606210997 1170115687 /nfs/dbraw/zinc/11/56/87/1170115687.db2.gz ZQZZNHWVDRTVRO-XPUUQOCRSA-N -1 1 321.255 0.753 20 0 DCADMM CN1CCC[C@H]1c1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])[nH]n1 ZINC001606226207 1170124085 /nfs/dbraw/zinc/12/40/85/1170124085.db2.gz FHFKTDDUDRUKOU-MFKMUULPSA-N -1 1 322.365 0.492 20 0 DCADMM Cn1cc(CCCNC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001606237028 1170130945 /nfs/dbraw/zinc/13/09/45/1170130945.db2.gz JQXVDRZBXBEBMH-UHFFFAOYSA-N -1 1 301.310 0.556 20 0 DCADMM Cn1cc(CCCNC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001606237028 1170130963 /nfs/dbraw/zinc/13/09/63/1170130963.db2.gz JQXVDRZBXBEBMH-UHFFFAOYSA-N -1 1 301.310 0.556 20 0 DCADMM CN1CCN(Cn2cc(C(=O)[O-])nn2)[C@@H](Cc2ccccc2)C1 ZINC001606244225 1170134696 /nfs/dbraw/zinc/13/46/96/1170134696.db2.gz BUWHNZXJDPMTKO-AWEZNQCLSA-N -1 1 315.377 0.793 20 0 DCADMM Cn1ccc(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001606248729 1170135805 /nfs/dbraw/zinc/13/58/05/1170135805.db2.gz GADYJIUNKXZLJX-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001606266016 1170141308 /nfs/dbraw/zinc/14/13/08/1170141308.db2.gz XGUSEGVOIVQVLM-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001606266016 1170141310 /nfs/dbraw/zinc/14/13/10/1170141310.db2.gz XGUSEGVOIVQVLM-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1nncc1CCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001606286457 1170148942 /nfs/dbraw/zinc/14/89/42/1170148942.db2.gz MSGHKBKBZFPQEN-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM Cn1nncc1CCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001606286457 1170148946 /nfs/dbraw/zinc/14/89/46/1170148946.db2.gz MSGHKBKBZFPQEN-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM Cn1nnc2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)cc21 ZINC001606286559 1170149239 /nfs/dbraw/zinc/14/92/39/1170149239.db2.gz NXUYGUOQYJWQKH-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM Cn1nnc2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)cc21 ZINC001606286559 1170149240 /nfs/dbraw/zinc/14/92/40/1170149240.db2.gz NXUYGUOQYJWQKH-UHFFFAOYSA-N -1 1 321.304 0.796 20 0 DCADMM FC(F)(F)COCCn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001606288678 1170150741 /nfs/dbraw/zinc/15/07/41/1170150741.db2.gz HDHSPZDJPJBQKU-UHFFFAOYSA-N -1 1 301.232 0.895 20 0 DCADMM COC(=O)[C@@H](C)CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1CC1 ZINC001606321898 1170158459 /nfs/dbraw/zinc/15/84/59/1170158459.db2.gz VKJNBQFHSPFPAU-GWCFXTLKSA-N -1 1 314.382 0.485 20 0 DCADMM NC(=O)[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001606402564 1170184823 /nfs/dbraw/zinc/18/48/23/1170184823.db2.gz XMPYYEIQQUJNGA-GFCCVEGCSA-N -1 1 313.296 0.461 20 0 DCADMM NC(=O)[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001606402564 1170184826 /nfs/dbraw/zinc/18/48/26/1170184826.db2.gz XMPYYEIQQUJNGA-GFCCVEGCSA-N -1 1 313.296 0.461 20 0 DCADMM NC(=O)C[C@H]1COCCN1Cc1csc(-c2nn[n-]n2)c1 ZINC001606412872 1170191560 /nfs/dbraw/zinc/19/15/60/1170191560.db2.gz MTGAVEMVKPSWNL-VIFPVBQESA-N -1 1 308.367 0.004 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC001606444976 1170204301 /nfs/dbraw/zinc/20/43/01/1170204301.db2.gz JEZILPFHIPBDAV-QMMMGPOBSA-N -1 1 324.304 0.412 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc2c1C(=O)CC2 ZINC001606446771 1170206088 /nfs/dbraw/zinc/20/60/88/1170206088.db2.gz YGKBYDJMGCMRIW-UHFFFAOYSA-N -1 1 309.289 0.463 20 0 DCADMM O=C(C[C@@H]1CCCC(=O)N1)Nc1ncc(-c2nnn[n-]2)s1 ZINC001606498380 1170221194 /nfs/dbraw/zinc/22/11/94/1170221194.db2.gz FHMGTAIMLJNIMO-LURJTMIESA-N -1 1 307.339 0.321 20 0 DCADMM O=C(C[C@@H]1CCCC(=O)N1)Nc1ncc(-c2nn[n-]n2)s1 ZINC001606498380 1170221196 /nfs/dbraw/zinc/22/11/96/1170221196.db2.gz FHMGTAIMLJNIMO-LURJTMIESA-N -1 1 307.339 0.321 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC001606594826 1170238901 /nfs/dbraw/zinc/23/89/01/1170238901.db2.gz NPECQTOQXCDGBD-VXGBXAGGSA-N -1 1 314.349 0.224 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC001606594826 1170238904 /nfs/dbraw/zinc/23/89/04/1170238904.db2.gz NPECQTOQXCDGBD-VXGBXAGGSA-N -1 1 314.349 0.224 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1nccs1 ZINC001606596643 1170239969 /nfs/dbraw/zinc/23/99/69/1170239969.db2.gz RXOFDSHBZZKYSU-UHFFFAOYSA-N -1 1 301.335 0.577 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1nccs1 ZINC001606596643 1170239973 /nfs/dbraw/zinc/23/99/73/1170239973.db2.gz RXOFDSHBZZKYSU-UHFFFAOYSA-N -1 1 301.335 0.577 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CC[C@H](O)CC1 ZINC001606596274 1170240143 /nfs/dbraw/zinc/24/01/43/1170240143.db2.gz FTFCWLNHEWWIJA-XYPYZODXSA-N -1 1 302.338 0.224 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CC[C@H](O)CC1 ZINC001606596274 1170240147 /nfs/dbraw/zinc/24/01/47/1170240147.db2.gz FTFCWLNHEWWIJA-XYPYZODXSA-N -1 1 302.338 0.224 20 0 DCADMM COC(=O)c1cnc(N2CCN(CCC(=O)[O-])C[C@@H]2C)nc1 ZINC001606628016 1170246909 /nfs/dbraw/zinc/24/69/09/1170246909.db2.gz FZWLNQOJCOZRFL-JTQLQIEISA-N -1 1 308.338 0.248 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc2cnccc21 ZINC001606623627 1170246948 /nfs/dbraw/zinc/24/69/48/1170246948.db2.gz UPIRJRLBVFNKEJ-UHFFFAOYSA-N -1 1 321.304 0.645 20 0 DCADMM O=C(N[C@H](CO)CC1CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606635750 1170249900 /nfs/dbraw/zinc/24/99/00/1170249900.db2.gz XGUKNEHCIOKOTF-JTQLQIEISA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H](CO)CC1CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606635750 1170249905 /nfs/dbraw/zinc/24/99/05/1170249905.db2.gz XGUKNEHCIOKOTF-JTQLQIEISA-N -1 1 302.338 0.543 20 0 DCADMM CO[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1cnn(C)c1 ZINC001606644634 1170250478 /nfs/dbraw/zinc/25/04/78/1170250478.db2.gz TUWJUBOONRJDPP-RISCZKNCSA-N -1 1 324.381 0.115 20 0 DCADMM O=C(N[C@H]1CCC[C@H](CO)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606662118 1170256419 /nfs/dbraw/zinc/25/64/19/1170256419.db2.gz HHZPKXPYBYHKCM-UWVGGRQHSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CCC[C@H](CO)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606662118 1170256424 /nfs/dbraw/zinc/25/64/24/1170256424.db2.gz HHZPKXPYBYHKCM-UWVGGRQHSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC1COCCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606689859 1170262025 /nfs/dbraw/zinc/26/20/25/1170262025.db2.gz ZXGDCJXCBVLQBT-UHFFFAOYSA-N -1 1 307.285 0.151 20 0 DCADMM O=C(NC1COCCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606689859 1170262027 /nfs/dbraw/zinc/26/20/27/1170262027.db2.gz ZXGDCJXCBVLQBT-UHFFFAOYSA-N -1 1 307.285 0.151 20 0 DCADMM O=C(NCCC1CC(O)C1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606760199 1170280368 /nfs/dbraw/zinc/28/03/68/1170280368.db2.gz AREDJRYBCDMFIY-UHFFFAOYSA-N -1 1 322.394 0.888 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC001606935655 1170335039 /nfs/dbraw/zinc/33/50/39/1170335039.db2.gz XXNOVYUKGYOZHV-MWLCHTKSSA-N -1 1 315.337 0.951 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC001606935655 1170335046 /nfs/dbraw/zinc/33/50/46/1170335046.db2.gz XXNOVYUKGYOZHV-MWLCHTKSSA-N -1 1 315.337 0.951 20 0 DCADMM O=C(Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1)C1=COCC1 ZINC001606939468 1170336545 /nfs/dbraw/zinc/33/65/45/1170336545.db2.gz QQZGOPGQNALBNO-UHFFFAOYSA-N -1 1 324.304 0.690 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccsc1-c1nnn[n-]1 ZINC001606964923 1170343214 /nfs/dbraw/zinc/34/32/14/1170343214.db2.gz DBZOHPQTGQQOOP-WEDXCCLWSA-N -1 1 322.346 0.889 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccsc1-c1nn[n-]n1 ZINC001606964923 1170343217 /nfs/dbraw/zinc/34/32/17/1170343217.db2.gz DBZOHPQTGQQOOP-WEDXCCLWSA-N -1 1 322.346 0.889 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H]2OCCC[C@H]2C1 ZINC001607021822 1170357633 /nfs/dbraw/zinc/35/76/33/1170357633.db2.gz DNCKFCCUJQOOSL-GXFFZTMASA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H]2OCCC[C@H]2C1 ZINC001607021822 1170357640 /nfs/dbraw/zinc/35/76/40/1170357640.db2.gz DNCKFCCUJQOOSL-GXFFZTMASA-N -1 1 314.349 0.903 20 0 DCADMM O=C(OC[C@@H]1CCNC(=O)C1)c1sccc1-c1nn[n-]n1 ZINC001607038899 1170363643 /nfs/dbraw/zinc/36/36/43/1170363643.db2.gz AKPNDRFGFCOXKY-SSDOTTSWSA-N -1 1 307.335 0.611 20 0 DCADMM O=C1C[C@H](Oc2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2)N1 ZINC001607041463 1170364278 /nfs/dbraw/zinc/36/42/78/1170364278.db2.gz ZURZAJSUGSJYGR-ZDUSSCGKSA-N -1 1 324.304 0.625 20 0 DCADMM O=C1C[C@H](Oc2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2)N1 ZINC001607041463 1170364282 /nfs/dbraw/zinc/36/42/82/1170364282.db2.gz ZURZAJSUGSJYGR-ZDUSSCGKSA-N -1 1 324.304 0.625 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC2(CNC(=O)C2)CC1 ZINC001607041124 1170364384 /nfs/dbraw/zinc/36/43/84/1170364384.db2.gz SSCWLVRKXLVXKY-UHFFFAOYSA-N -1 1 316.321 0.202 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC2(CNC(=O)C2)CC1 ZINC001607041124 1170364390 /nfs/dbraw/zinc/36/43/90/1170364390.db2.gz SSCWLVRKXLVXKY-UHFFFAOYSA-N -1 1 316.321 0.202 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(=O)C[C@H]1C1CC1 ZINC001607045483 1170368047 /nfs/dbraw/zinc/36/80/47/1170368047.db2.gz AYMQUVMHBLRIME-ZDUSSCGKSA-N -1 1 312.333 0.845 20 0 DCADMM 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1170917868 /nfs/dbraw/zinc/91/78/68/1170917868.db2.gz BCZCPFTYUSLMHM-UHFFFAOYSA-N -1 1 309.351 0.857 20 0 DCADMM COC(=O)c1cccc(OCCn2ccnc2-c2nnn[n-]2)c1 ZINC001609305570 1170924661 /nfs/dbraw/zinc/92/46/61/1170924661.db2.gz CVZWYZFBEFKREY-UHFFFAOYSA-N -1 1 314.305 0.929 20 0 DCADMM COC(=O)c1cccc(OCCn2ccnc2-c2nn[n-]n2)c1 ZINC001609305570 1170924665 /nfs/dbraw/zinc/92/46/65/1170924665.db2.gz CVZWYZFBEFKREY-UHFFFAOYSA-N -1 1 314.305 0.929 20 0 DCADMM CO[C@@H](C)c1noc(COC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001609309164 1170926181 /nfs/dbraw/zinc/92/61/81/1170926181.db2.gz LRRDNQWGLOXFTE-LURJTMIESA-N -1 1 320.265 0.907 20 0 DCADMM COCC(C)(C)CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001609316048 1170930215 /nfs/dbraw/zinc/93/02/15/1170930215.db2.gz BTWKBBKURZNULQ-UHFFFAOYSA-N -1 1 308.342 0.494 20 0 DCADMM COCC(C)(C)CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001609316048 1170930220 /nfs/dbraw/zinc/93/02/20/1170930220.db2.gz BTWKBBKURZNULQ-UHFFFAOYSA-N -1 1 308.342 0.494 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609315415 1170930397 /nfs/dbraw/zinc/93/03/97/1170930397.db2.gz KAKFLXMIIRZODW-WCBMZHEXSA-N -1 1 323.378 0.710 20 0 DCADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609332598 1170941914 /nfs/dbraw/zinc/94/19/14/1170941914.db2.gz BOBVPCIPJORJFD-CABZTGNLSA-N -1 1 302.338 0.949 20 0 DCADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609332598 1170941919 /nfs/dbraw/zinc/94/19/19/1170941919.db2.gz BOBVPCIPJORJFD-CABZTGNLSA-N -1 1 302.338 0.949 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccnc(N(C)C)n2)n1 ZINC001609392196 1170963153 /nfs/dbraw/zinc/96/31/53/1170963153.db2.gz IXYCFIIRYSUYLZ-UHFFFAOYSA-N -1 1 312.341 0.433 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccnc(N(C)C)n2)n1 ZINC001609392196 1170963157 /nfs/dbraw/zinc/96/31/57/1170963157.db2.gz IXYCFIIRYSUYLZ-UHFFFAOYSA-N -1 1 312.341 0.433 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCN2CCO[C@H](C)C2)n1 ZINC001609392470 1170963237 /nfs/dbraw/zinc/96/32/37/1170963237.db2.gz QVKGUAMPWRJQEJ-SNVBAGLBSA-N -1 1 304.358 0.098 20 0 DCADMM Cc1nn(C)c(C)c1CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609392239 1170963266 /nfs/dbraw/zinc/96/32/66/1170963266.db2.gz JVXKCQZWIZNRQC-UHFFFAOYSA-N -1 1 313.369 0.970 20 0 DCADMM Cc1nn(C)c(C)c1CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609392239 1170963274 /nfs/dbraw/zinc/96/32/74/1170963274.db2.gz JVXKCQZWIZNRQC-UHFFFAOYSA-N -1 1 313.369 0.970 20 0 DCADMM Cc1ccn(CC2CCS(=O)(=O)CC2)c(=O)c1-c1nn[n-]n1 ZINC001609437372 1170975725 /nfs/dbraw/zinc/97/57/25/1170975725.db2.gz BSFBNLXEXNGIBJ-UHFFFAOYSA-N -1 1 323.378 0.162 20 0 DCADMM Cc1cnc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)s1 ZINC001609441011 1170976000 /nfs/dbraw/zinc/97/60/00/1170976000.db2.gz JEEJXBJSGHYWRB-ZETCQYMHSA-N -1 1 320.338 0.528 20 0 DCADMM Cc1ccn(CN(C)CC2CCOCC2)c(=O)c1-c1nnn[n-]1 ZINC001609437739 1170976780 /nfs/dbraw/zinc/97/67/80/1170976780.db2.gz XFHJVEGYSBIJCF-UHFFFAOYSA-N -1 1 318.381 0.653 20 0 DCADMM Cc1ncsc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609457808 1170984793 /nfs/dbraw/zinc/98/47/93/1170984793.db2.gz ZDRAMDAOLJNXES-LURJTMIESA-N -1 1 305.327 0.423 20 0 DCADMM Cc1nsc(NC(=O)Cc2ccn(C)n2)c1-c1nnn[n-]1 ZINC001609464733 1170986952 /nfs/dbraw/zinc/98/69/52/1170986952.db2.gz DZWZUOMXKRQFGB-UHFFFAOYSA-N -1 1 304.339 0.546 20 0 DCADMM Cc1nsc(NC(=O)Cc2ccn(C)n2)c1-c1nn[n-]n1 ZINC001609464733 1170986958 /nfs/dbraw/zinc/98/69/58/1170986958.db2.gz DZWZUOMXKRQFGB-UHFFFAOYSA-N -1 1 304.339 0.546 20 0 DCADMM Cc1noc(CCNC(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001609463577 1170987922 /nfs/dbraw/zinc/98/79/22/1170987922.db2.gz VFWWOCZIFCYFGV-UHFFFAOYSA-N -1 1 315.297 0.317 20 0 DCADMM Cc1noc(CCNC(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001609463577 1170987927 /nfs/dbraw/zinc/98/79/27/1170987927.db2.gz VFWWOCZIFCYFGV-UHFFFAOYSA-N -1 1 315.297 0.317 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCCCNC1=O ZINC001609467983 1170989847 /nfs/dbraw/zinc/98/98/47/1170989847.db2.gz XQFIDCJPUPGXNS-VIFPVBQESA-N -1 1 304.310 0.167 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCCCNC1=O ZINC001609467983 1170989851 /nfs/dbraw/zinc/98/98/51/1170989851.db2.gz XQFIDCJPUPGXNS-VIFPVBQESA-N -1 1 304.310 0.167 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1([S@@](C)=O)CCC1 ZINC001609467723 1170990304 /nfs/dbraw/zinc/99/03/04/1170990304.db2.gz RHVZZQSPNXHUPS-JOCHJYFZSA-N -1 1 323.378 0.799 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1([S@@](C)=O)CCC1 ZINC001609467723 1170990307 /nfs/dbraw/zinc/99/03/07/1170990307.db2.gz RHVZZQSPNXHUPS-JOCHJYFZSA-N -1 1 323.378 0.799 20 0 DCADMM NC(=O)[C@@H]1CCCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001609501987 1170999642 /nfs/dbraw/zinc/99/96/42/1170999642.db2.gz CNGXSDZZIZKWER-MRVPVSSYSA-N -1 1 318.312 0.343 20 0 DCADMM NC(=O)[C@@H]1CCCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001609501987 1170999648 /nfs/dbraw/zinc/99/96/48/1170999648.db2.gz CNGXSDZZIZKWER-MRVPVSSYSA-N -1 1 318.312 0.343 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001609510448 1171004205 /nfs/dbraw/zinc/00/42/05/1171004205.db2.gz LCAXNRKDJHLMIO-UHFFFAOYSA-N -1 1 324.304 0.219 20 0 DCADMM O=C(C=Cc1cnccn1)OCc1cccnc1-c1nnn[n-]1 ZINC001609519743 1171007314 /nfs/dbraw/zinc/00/73/14/1171007314.db2.gz KDWDPVDVPJTPOR-ONEGZZNKSA-N -1 1 309.289 0.808 20 0 DCADMM O=C(C=Cc1cnccn1)OCc1cccnc1-c1nn[n-]n1 ZINC001609519743 1171007315 /nfs/dbraw/zinc/00/73/15/1171007315.db2.gz KDWDPVDVPJTPOR-ONEGZZNKSA-N -1 1 309.289 0.808 20 0 DCADMM O=C(NC1CCC(CO)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609540626 1171015410 /nfs/dbraw/zinc/01/54/10/1171015410.db2.gz HUPZGKZTJSAHBZ-UHFFFAOYSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC1CCC(CO)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609540626 1171015416 /nfs/dbraw/zinc/01/54/16/1171015416.db2.gz HUPZGKZTJSAHBZ-UHFFFAOYSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NCCOC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001609549907 1171019989 /nfs/dbraw/zinc/01/99/89/1171019989.db2.gz CHILSHQYWKYNGR-UHFFFAOYSA-N -1 1 302.216 0.528 20 0 DCADMM O=C(NCCOC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001609549907 1171019997 /nfs/dbraw/zinc/01/99/97/1171019997.db2.gz CHILSHQYWKYNGR-UHFFFAOYSA-N -1 1 302.216 0.528 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609560745 1171020595 /nfs/dbraw/zinc/02/05/95/1171020595.db2.gz GTWSOEDBWHVFDX-KGLIPLIRSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609560745 1171020603 /nfs/dbraw/zinc/02/06/03/1171020603.db2.gz GTWSOEDBWHVFDX-KGLIPLIRSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1C[C@H]2C[C@@]2(CO)C1 ZINC001609566771 1171024586 /nfs/dbraw/zinc/02/45/86/1171024586.db2.gz DGNYEPZPCNRRKX-OQPBUACISA-N -1 1 301.310 0.108 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1C[C@H]2C[C@@]2(CO)C1 ZINC001609566771 1171024593 /nfs/dbraw/zinc/02/45/93/1171024593.db2.gz DGNYEPZPCNRRKX-OQPBUACISA-N -1 1 301.310 0.108 20 0 DCADMM O=C(OC[C@@H]1CCC[C@H](O)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001609573451 1171025599 /nfs/dbraw/zinc/02/55/99/1171025599.db2.gz BIZAEDBFNYZQAT-ZJUUUORDSA-N -1 1 303.322 0.970 20 0 DCADMM O=C(OC[C@@H]1CCC[C@H](O)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001609573451 1171025604 /nfs/dbraw/zinc/02/56/04/1171025604.db2.gz BIZAEDBFNYZQAT-ZJUUUORDSA-N -1 1 303.322 0.970 20 0 DCADMM O=C(OC[C@@H]1CCC[C@@H](O)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609573613 1171026039 /nfs/dbraw/zinc/02/60/39/1171026039.db2.gz HZNBXSDRVVOGLJ-MWLCHTKSSA-N -1 1 303.322 0.970 20 0 DCADMM O=C(OC[C@@H]1CCC[C@@H](O)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609573613 1171026047 /nfs/dbraw/zinc/02/60/47/1171026047.db2.gz HZNBXSDRVVOGLJ-MWLCHTKSSA-N -1 1 303.322 0.970 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCOCC(F)(F)C1 ZINC001609583558 1171030268 /nfs/dbraw/zinc/03/02/68/1171030268.db2.gz FGBDCOLMWJJISE-UHFFFAOYSA-N -1 1 310.264 0.369 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCOCC(F)(F)C1 ZINC001609583558 1171030272 /nfs/dbraw/zinc/03/02/72/1171030272.db2.gz FGBDCOLMWJJISE-UHFFFAOYSA-N -1 1 310.264 0.369 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1CCO ZINC001609583985 1171030383 /nfs/dbraw/zinc/03/03/83/1171030383.db2.gz PMQZAPPNLYTQJF-LLVKDONJSA-N -1 1 302.338 0.639 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1CCO ZINC001609583985 1171030389 /nfs/dbraw/zinc/03/03/89/1171030389.db2.gz PMQZAPPNLYTQJF-LLVKDONJSA-N -1 1 302.338 0.639 20 0 DCADMM c1cnc(N2CCC[C@H](Nc3ccnc(-c4nnn[n-]4)c3)C2)nc1 ZINC001609618992 1171049923 /nfs/dbraw/zinc/04/99/23/1171049923.db2.gz CQPKTCSDCJARMW-LBPRGKRZSA-N -1 1 323.364 0.555 20 0 DCADMM c1cnc(N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)c3)C2)nc1 ZINC001609618992 1171049930 /nfs/dbraw/zinc/04/99/30/1171049930.db2.gz CQPKTCSDCJARMW-LBPRGKRZSA-N -1 1 323.364 0.555 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC001609619361 1171050294 /nfs/dbraw/zinc/05/02/94/1171050294.db2.gz NOKLQZUZQGEAMN-NEPJUHHUSA-N -1 1 302.338 0.646 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC001609619361 1171050300 /nfs/dbraw/zinc/05/03/00/1171050300.db2.gz NOKLQZUZQGEAMN-NEPJUHHUSA-N -1 1 302.338 0.646 20 0 DCADMM c1cnc(N[C@@H]2CCN(c3cccnc3-c3nnn[n-]3)C2)nc1 ZINC001609619079 1171051401 /nfs/dbraw/zinc/05/14/01/1171051401.db2.gz 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O=C(O[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823396486 606177733 /nfs/dbraw/zinc/17/77/33/606177733.db2.gz KQMNYHWAVIQFLD-ZCFIWIBFSA-N -1 1 314.348 0.272 20 0 DCADMM O=C(O[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823396486 606177734 /nfs/dbraw/zinc/17/77/34/606177734.db2.gz KQMNYHWAVIQFLD-ZCFIWIBFSA-N -1 1 314.348 0.272 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCO ZINC000822535234 606183265 /nfs/dbraw/zinc/18/32/65/606183265.db2.gz KJWKMNSZQGYHTR-UHFFFAOYSA-N -1 1 316.321 0.623 20 0 DCADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCO ZINC000822535234 606183267 /nfs/dbraw/zinc/18/32/67/606183267.db2.gz KJWKMNSZQGYHTR-UHFFFAOYSA-N -1 1 316.321 0.623 20 0 DCADMM CC(C)(C)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CC1=O ZINC000819914633 606420920 /nfs/dbraw/zinc/42/09/20/606420920.db2.gz ZXZUXVGZQBDXFQ-QMMMGPOBSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(C)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CC1=O ZINC000819914633 606420922 /nfs/dbraw/zinc/42/09/22/606420922.db2.gz 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/nfs/dbraw/zinc/59/74/77/606597477.db2.gz UPILQBDIHDCZAM-ZETCQYMHSA-N -1 1 310.387 0.863 20 0 DCADMM CO[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1(C)C ZINC000821679327 606618025 /nfs/dbraw/zinc/61/80/25/606618025.db2.gz ZWQCNHVBWBNUIH-RKDXNWHRSA-N -1 1 320.357 0.535 20 0 DCADMM CO[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1(C)C ZINC000821679327 606618027 /nfs/dbraw/zinc/61/80/27/606618027.db2.gz ZWQCNHVBWBNUIH-RKDXNWHRSA-N -1 1 320.357 0.535 20 0 DCADMM Cc1cc(F)c(C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1F ZINC000822201989 606627048 /nfs/dbraw/zinc/62/70/48/606627048.db2.gz FRELLMALLUAHJS-UHFFFAOYSA-N -1 1 305.248 0.928 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cccc(F)c1F ZINC000822904404 606695440 /nfs/dbraw/zinc/69/54/40/606695440.db2.gz YDNBNQTXWQLXHW-UHFFFAOYSA-N -1 1 305.248 0.807 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823150682 606752796 /nfs/dbraw/zinc/75/27/96/606752796.db2.gz RXYZGRCWIDTDDF-DMDPSCGWSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823150682 606752797 /nfs/dbraw/zinc/75/27/97/606752797.db2.gz RXYZGRCWIDTDDF-DMDPSCGWSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@@]1(CCO)CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823170713 606819906 /nfs/dbraw/zinc/81/99/06/606819906.db2.gz GZQKUPNKLAPVMQ-CYBMUJFWSA-N -1 1 323.378 0.447 20 0 DCADMM O=C(NC[C@@]1(CCO)CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823170713 606819907 /nfs/dbraw/zinc/81/99/07/606819907.db2.gz GZQKUPNKLAPVMQ-CYBMUJFWSA-N -1 1 323.378 0.447 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1c[nH]c2ncccc12 ZINC000822903857 606850277 /nfs/dbraw/zinc/85/02/77/606850277.db2.gz PTXSPKOVNBFPFS-UHFFFAOYSA-N -1 1 309.293 0.405 20 0 DCADMM CC(C)S(=O)(=O)CCCn1cccc(-c2nn[n-]n2)c1=O ZINC000820183437 606923890 /nfs/dbraw/zinc/92/38/90/606923890.db2.gz CDEMOCZFYHQIIZ-UHFFFAOYSA-N -1 1 311.367 0.242 20 0 DCADMM C[C@H]1CO[C@H](CO)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820804600 607029260 /nfs/dbraw/zinc/02/92/60/607029260.db2.gz VQJHUOJBOLVGRU-YUMQZZPRSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@H]1CO[C@H](CO)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820804600 607029261 /nfs/dbraw/zinc/02/92/61/607029261.db2.gz VQJHUOJBOLVGRU-YUMQZZPRSA-N -1 1 310.745 0.501 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccnn1C1CCCC1 ZINC000822902486 607147214 /nfs/dbraw/zinc/14/72/14/607147214.db2.gz CHOWWYJLBOCZOA-UHFFFAOYSA-N -1 1 313.325 0.646 20 0 DCADMM Cc1cc(=O)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c[nH]1 ZINC000822161850 607185236 /nfs/dbraw/zinc/18/52/36/607185236.db2.gz UWJPIPCHQRTZBB-UHFFFAOYSA-N -1 1 312.289 0.615 20 0 DCADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000820735616 607208203 /nfs/dbraw/zinc/20/82/03/607208203.db2.gz UCODYBSCLGNAJH-VIFPVBQESA-N -1 1 310.321 0.609 20 0 DCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC000821572086 607210285 /nfs/dbraw/zinc/21/02/85/607210285.db2.gz QTTZKQLTNAQOKY-UHFFFAOYSA-N -1 1 320.263 0.399 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)c(F)cc1F ZINC000823132099 607214369 /nfs/dbraw/zinc/21/43/69/607214369.db2.gz ZTEPGIWIYKLJKL-UHFFFAOYSA-N -1 1 324.226 0.514 20 0 DCADMM C[C@H]1C[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@@H](C)C1 ZINC000820649010 607218652 /nfs/dbraw/zinc/21/86/52/607218652.db2.gz HHXRJTWRCKHMSZ-MYJAWHEDSA-N -1 1 304.358 0.399 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C2CCCC1CCC2 ZINC000823122448 607219587 /nfs/dbraw/zinc/21/95/87/607219587.db2.gz BJVFUNWFEYFERP-UHFFFAOYSA-N -1 1 302.342 0.392 20 0 DCADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC000820736162 607219981 /nfs/dbraw/zinc/21/99/81/607219981.db2.gz XWCFMSXJPSDREZ-MFKMUULPSA-N -1 1 324.348 0.678 20 0 DCADMM CCSCC[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821455658 607220214 /nfs/dbraw/zinc/22/02/14/607220214.db2.gz KZPOGLWXJDZZJA-QMMMGPOBSA-N -1 1 310.387 0.106 20 0 DCADMM CCC[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821040678 607222998 /nfs/dbraw/zinc/22/29/98/607222998.db2.gz PETDPQYJOQGRSZ-JTQLQIEISA-N -1 1 304.358 0.497 20 0 DCADMM CC(C)C[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820067469 607223523 /nfs/dbraw/zinc/22/35/23/607223523.db2.gz IVNHXBWVJUAMPS-NSHDSACASA-N -1 1 318.385 0.743 20 0 DCADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821014504 607224971 /nfs/dbraw/zinc/22/49/71/607224971.db2.gz IBKMVCYESMJPMK-MNOVXSKESA-N -1 1 318.385 0.885 20 0 DCADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC1CCOCC1 ZINC000826418623 607866611 /nfs/dbraw/zinc/86/66/11/607866611.db2.gz OTCXDPFDKBVPQR-UHFFFAOYSA-N -1 1 321.312 0.680 20 0 DCADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC1CCOCC1 ZINC000826418623 607866612 /nfs/dbraw/zinc/86/66/12/607866612.db2.gz OTCXDPFDKBVPQR-UHFFFAOYSA-N -1 1 321.312 0.680 20 0 DCADMM NC(=O)NC[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826391948 607896815 /nfs/dbraw/zinc/89/68/15/607896815.db2.gz IHVPNXITPLEEJG-VIFPVBQESA-N -1 1 302.342 0.146 20 0 DCADMM NC(=O)NC[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826391948 607896816 /nfs/dbraw/zinc/89/68/16/607896816.db2.gz IHVPNXITPLEEJG-VIFPVBQESA-N -1 1 302.342 0.146 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(NCCc2cnc(C3CC3)nc2)n1 ZINC000826524630 607904313 /nfs/dbraw/zinc/90/43/13/607904313.db2.gz CHQKKJIQNREUSB-UHFFFAOYSA-N -1 1 309.337 0.979 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(NCCc2cnc(C3CC3)nc2)n1 ZINC000826524630 607904314 /nfs/dbraw/zinc/90/43/14/607904314.db2.gz CHQKKJIQNREUSB-UHFFFAOYSA-N -1 1 309.337 0.979 20 0 DCADMM CN(C)C(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825845692 607988352 /nfs/dbraw/zinc/98/83/52/607988352.db2.gz LURLHNPNABJKCM-UHFFFAOYSA-N -1 1 324.348 0.971 20 0 DCADMM CN(C)C(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825845692 607988353 /nfs/dbraw/zinc/98/83/53/607988353.db2.gz LURLHNPNABJKCM-UHFFFAOYSA-N -1 1 324.348 0.971 20 0 DCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(=O)N1CCCC[C@@H]1C ZINC000824650559 607990315 /nfs/dbraw/zinc/99/03/15/607990315.db2.gz ROFGMGZCKIGYIZ-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(=O)N1CCCC[C@@H]1C ZINC000824650559 607990316 /nfs/dbraw/zinc/99/03/16/607990316.db2.gz ROFGMGZCKIGYIZ-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@@](O)(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000824670410 608041762 /nfs/dbraw/zinc/04/17/62/608041762.db2.gz ODYNETDMZSJXOT-SNVBAGLBSA-N -1 1 316.243 0.305 20 0 DCADMM C[C@@](O)(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000824670410 608041763 /nfs/dbraw/zinc/04/17/63/608041763.db2.gz ODYNETDMZSJXOT-SNVBAGLBSA-N -1 1 316.243 0.305 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cn(C)nn2)n1 ZINC000826324399 608077106 /nfs/dbraw/zinc/07/71/06/608077106.db2.gz PHANDIFZICNADJ-UHFFFAOYSA-N -1 1 303.355 0.694 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CSCC(F)(F)F ZINC000826394844 608078390 /nfs/dbraw/zinc/07/83/90/608078390.db2.gz BDHYFOXZUPURRS-UHFFFAOYSA-N -1 1 307.261 0.581 20 0 DCADMM CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825328013 608338926 /nfs/dbraw/zinc/33/89/26/608338926.db2.gz NSCJJRIWTPLUEB-UHFFFAOYSA-N -1 1 320.357 0.283 20 0 DCADMM CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825328013 608338928 /nfs/dbraw/zinc/33/89/28/608338928.db2.gz NSCJJRIWTPLUEB-UHFFFAOYSA-N -1 1 320.357 0.283 20 0 DCADMM O=C(CCNc1ccc(-c2nnn[n-]2)nn1)N1CCCCC1 ZINC000826407915 608400553 /nfs/dbraw/zinc/40/05/53/608400553.db2.gz HYABGXLLRDUYOX-UHFFFAOYSA-N -1 1 302.342 0.471 20 0 DCADMM O=C(CCNc1ccc(-c2nn[n-]n2)nn1)N1CCCCC1 ZINC000826407915 608400555 /nfs/dbraw/zinc/40/05/55/608400555.db2.gz HYABGXLLRDUYOX-UHFFFAOYSA-N -1 1 302.342 0.471 20 0 DCADMM c1cnnc(NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826526081 608414999 /nfs/dbraw/zinc/41/49/99/608414999.db2.gz KGKJBUGSMGNJRF-UHFFFAOYSA-N -1 1 324.352 0.528 20 0 DCADMM c1cnnc(NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826526081 608415001 /nfs/dbraw/zinc/41/50/01/608415001.db2.gz KGKJBUGSMGNJRF-UHFFFAOYSA-N -1 1 324.352 0.528 20 0 DCADMM COc1cccc([C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826215379 608423685 /nfs/dbraw/zinc/42/36/85/608423685.db2.gz NHBFYORGFAXSME-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM COc1cccc([C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826215379 608423686 /nfs/dbraw/zinc/42/36/86/608423686.db2.gz NHBFYORGFAXSME-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1n1ccnc1 ZINC000824961947 608431451 /nfs/dbraw/zinc/43/14/51/608431451.db2.gz LMAXKNLGNDBPMQ-ZYHUDNBSSA-N -1 1 311.353 0.941 20 0 DCADMM c1cc(N2CCC[C@@H]([C@H]3CCOC3)C2)nnc1-c1nnn[n-]1 ZINC000826517371 608436322 /nfs/dbraw/zinc/43/63/22/608436322.db2.gz ZULHNNVZMOYOFA-MNOVXSKESA-N -1 1 301.354 0.910 20 0 DCADMM c1cc(N2CCC[C@@H]([C@H]3CCOC3)C2)nnc1-c1nn[n-]n1 ZINC000826517371 608436324 /nfs/dbraw/zinc/43/63/24/608436324.db2.gz ZULHNNVZMOYOFA-MNOVXSKESA-N -1 1 301.354 0.910 20 0 DCADMM Cc1ccncc1[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826314839 608591911 /nfs/dbraw/zinc/59/19/11/608591911.db2.gz OPVNVHLQNLYPHU-VIFPVBQESA-N -1 1 313.325 0.039 20 0 DCADMM O=C1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H]2CCCC[C@H]2N1 ZINC000826481338 608655121 /nfs/dbraw/zinc/65/51/21/608655121.db2.gz QJGVYPZNQQKLEO-GHMZBOCLSA-N -1 1 302.338 0.703 20 0 DCADMM O=C1CN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H]2CCCC[C@H]2N1 ZINC000826481338 608655123 /nfs/dbraw/zinc/65/51/23/608655123.db2.gz QJGVYPZNQQKLEO-GHMZBOCLSA-N -1 1 302.338 0.703 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000824507121 609157986 /nfs/dbraw/zinc/15/79/86/609157986.db2.gz UGCQKXIYAJLVML-DTWKUNHWSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000824507121 609157987 /nfs/dbraw/zinc/15/79/87/609157987.db2.gz UGCQKXIYAJLVML-DTWKUNHWSA-N -1 1 320.357 0.537 20 0 DCADMM Cc1onc(CC(=O)NCC[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826347186 609267327 /nfs/dbraw/zinc/26/73/27/609267327.db2.gz HSYDSNCMNUUYKW-SNVBAGLBSA-N -1 1 320.353 0.781 20 0 DCADMM Cc1onc(CC(=O)NCC[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826347186 609267328 /nfs/dbraw/zinc/26/73/28/609267328.db2.gz HSYDSNCMNUUYKW-SNVBAGLBSA-N -1 1 320.353 0.781 20 0 DCADMM CC[C@@](NC(=O)c1ccc(-c2nnn[n-]2)s1)(C(N)=O)C(C)C ZINC000825132948 609408876 /nfs/dbraw/zinc/40/88/76/609408876.db2.gz GGOQXDMYHVQANI-ZDUSSCGKSA-N -1 1 322.394 0.948 20 0 DCADMM CC[C@@](NC(=O)c1ccc(-c2nn[n-]n2)s1)(C(N)=O)C(C)C ZINC000825132948 609408879 /nfs/dbraw/zinc/40/88/79/609408879.db2.gz GGOQXDMYHVQANI-ZDUSSCGKSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1onc(CC(=O)NCCC[C@H](C)CO)c1-c1nnn[n-]1 ZINC000826347166 609467539 /nfs/dbraw/zinc/46/75/39/609467539.db2.gz HDTCQZBGUCSZQE-QMMMGPOBSA-N -1 1 308.342 0.230 20 0 DCADMM Cc1onc(CC(=O)NCCC[C@H](C)CO)c1-c1nn[n-]n1 ZINC000826347166 609467540 /nfs/dbraw/zinc/46/75/40/609467540.db2.gz HDTCQZBGUCSZQE-QMMMGPOBSA-N -1 1 308.342 0.230 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H](C)[C@H](F)C2)c1-c1nnn[n-]1 ZINC000826344013 609472256 /nfs/dbraw/zinc/47/22/56/609472256.db2.gz UZBNHLVTZVFUBA-IONNQARKSA-N -1 1 308.317 0.912 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H](C)[C@H](F)C2)c1-c1nn[n-]n1 ZINC000826344013 609472259 /nfs/dbraw/zinc/47/22/59/609472259.db2.gz 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CC[C@@H](C)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576581211 1164403389 /nfs/dbraw/zinc/40/33/89/1164403389.db2.gz KRHLOJUAPQKCPQ-ZJUUUORDSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](CNC(=O)C1CCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576791226 1164465790 /nfs/dbraw/zinc/46/57/90/1164465790.db2.gz OAXQJRUFDVQIED-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)C1CCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576791226 1164465792 /nfs/dbraw/zinc/46/57/92/1164465792.db2.gz OAXQJRUFDVQIED-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576848126 1164494030 /nfs/dbraw/zinc/49/40/30/1164494030.db2.gz MWGASOHLJBSPIO-AEJSXWLSSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@H](CNC(=O)[C@H]1C[C@@H]1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576848126 1164494044 /nfs/dbraw/zinc/49/40/44/1164494044.db2.gz MWGASOHLJBSPIO-AEJSXWLSSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576927113 1164538017 /nfs/dbraw/zinc/53/80/17/1164538017.db2.gz LHJCRSRQZTZXRJ-VIFPVBQESA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@H](F)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576927113 1164538027 /nfs/dbraw/zinc/53/80/27/1164538027.db2.gz LHJCRSRQZTZXRJ-VIFPVBQESA-N -1 1 322.348 0.299 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576951525 1164552229 /nfs/dbraw/zinc/55/22/29/1164552229.db2.gz IAQDGDWJKGOVKJ-DTWKUNHWSA-N -1 1 322.348 0.133 20 0 DCADMM CC[C@H](F)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576955517 1164553895 /nfs/dbraw/zinc/55/38/95/1164553895.db2.gz JUUNHFQIOQQLFA-QMMMGPOBSA-N -1 1 320.332 0.466 20 0 DCADMM CC[C@H](F)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576955517 1164553903 /nfs/dbraw/zinc/55/39/03/1164553903.db2.gz JUUNHFQIOQQLFA-QMMMGPOBSA-N -1 1 320.332 0.466 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576965616 1164560051 /nfs/dbraw/zinc/56/00/51/1164560051.db2.gz KKVLDZZTQIHVSB-RKDXNWHRSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576965616 1164560057 /nfs/dbraw/zinc/56/00/57/1164560057.db2.gz KKVLDZZTQIHVSB-RKDXNWHRSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576966864 1164562462 /nfs/dbraw/zinc/56/24/62/1164562462.db2.gz YURWKQHVRALLST-DTWKUNHWSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576966864 1164562465 /nfs/dbraw/zinc/56/24/65/1164562465.db2.gz YURWKQHVRALLST-DTWKUNHWSA-N -1 1 322.348 0.630 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576969079 1164562921 /nfs/dbraw/zinc/56/29/21/1164562921.db2.gz LECSJHFUAFQFEP-CIUDSAMLSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576969079 1164562927 /nfs/dbraw/zinc/56/29/27/1164562927.db2.gz LECSJHFUAFQFEP-CIUDSAMLSA-N -1 1 320.332 0.464 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001577194324 1164629490 /nfs/dbraw/zinc/62/94/90/1164629490.db2.gz JVXFBPZYQQUVEX-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001577194324 1164629493 /nfs/dbraw/zinc/62/94/93/1164629493.db2.gz JVXFBPZYQQUVEX-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001577198564 1164631122 /nfs/dbraw/zinc/63/11/22/1164631122.db2.gz XDRXCSWUSVIGHN-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001577198564 1164631153 /nfs/dbraw/zinc/63/11/53/1164631153.db2.gz XDRXCSWUSVIGHN-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001577215779 1164638462 /nfs/dbraw/zinc/63/84/62/1164638462.db2.gz GUFQOHAGSIUHMY-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC[C@@H](C)C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001577255864 1164652356 /nfs/dbraw/zinc/65/23/56/1164652356.db2.gz YSUXJRKXGYPQRU-SNVBAGLBSA-N -1 1 318.385 0.385 20 0 DCADMM CCC[C@H](NC(=O)c1cc(-c2nn[nH]n2)ccn1)c1nn[n-]n1 ZINC001577327056 1164670543 /nfs/dbraw/zinc/67/05/43/1164670543.db2.gz YSZGSZRSVVEJBW-QMMMGPOBSA-N -1 1 314.313 0.046 20 0 DCADMM CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577402855 1164685031 /nfs/dbraw/zinc/68/50/31/1164685031.db2.gz DVZPELGSFIMDBP-SNVBAGLBSA-N -1 1 316.369 0.282 20 0 DCADMM CCCN(CCNC(=O)C(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001577582466 1164731329 /nfs/dbraw/zinc/73/13/29/1164731329.db2.gz WZNUCFXHVZVSPC-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCCN(CCNC(=O)C(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001577582466 1164731340 /nfs/dbraw/zinc/73/13/40/1164731340.db2.gz WZNUCFXHVZVSPC-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCCN(CCNC(=O)CC)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001577601128 1164736272 /nfs/dbraw/zinc/73/62/72/1164736272.db2.gz DEIJYTUHYIYWJC-UHFFFAOYSA-N -1 1 318.385 0.708 20 0 DCADMM CCCN(CCNC(=O)CC)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001577601128 1164736284 /nfs/dbraw/zinc/73/62/84/1164736284.db2.gz DEIJYTUHYIYWJC-UHFFFAOYSA-N -1 1 318.385 0.708 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@@H]1C)c1nccnc1-c1nnn[n-]1 ZINC001577941980 1164852576 /nfs/dbraw/zinc/85/25/76/1164852576.db2.gz RJHYAILENFNNED-VHSXEESVSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@@H]1C)c1nccnc1-c1nn[n-]n1 ZINC001577941980 1164852582 /nfs/dbraw/zinc/85/25/82/1164852582.db2.gz RJHYAILENFNNED-VHSXEESVSA-N -1 1 316.369 0.255 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)c1ccc(-c2c[nH]nn2)cn1 ZINC001577977602 1164874617 /nfs/dbraw/zinc/87/46/17/1164874617.db2.gz YGRYSKURSMWKES-UHFFFAOYSA-N -1 1 311.309 0.189 20 0 DCADMM CCN(CCNC(C)=O)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001578105449 1164923489 /nfs/dbraw/zinc/92/34/89/1164923489.db2.gz XPQCLBTYKGLLEN-UHFFFAOYSA-N -1 1 315.790 0.939 20 0 DCADMM CCN(c1ccc(-c2nnn[n-]2)nn1)[C@H](C)CNC(=O)C1CC1 ZINC001578189259 1164947753 /nfs/dbraw/zinc/94/77/53/1164947753.db2.gz QNILSECMLHZNQE-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CCN(c1ccc(-c2nn[n-]n2)nn1)[C@H](C)CNC(=O)C1CC1 ZINC001578189259 1164947760 /nfs/dbraw/zinc/94/77/60/1164947760.db2.gz QNILSECMLHZNQE-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CCOC(=O)c1cc(Nc2ccnc(-c3nn[n-]n3)n2)cn1C ZINC001578253479 1164965035 /nfs/dbraw/zinc/96/50/35/1164965035.db2.gz YYFWHABEJVZIRJ-UHFFFAOYSA-N -1 1 314.309 0.337 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@](C)(NC(C)=O)C2)n1 ZINC001578579966 1165066202 /nfs/dbraw/zinc/06/62/02/1165066202.db2.gz AGAFCWQYCFENKF-CQSZACIVSA-N -1 1 316.369 0.324 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@](C)(NC(C)=O)C2)n1 ZINC001578579966 1165066213 /nfs/dbraw/zinc/06/62/13/1165066213.db2.gz AGAFCWQYCFENKF-CQSZACIVSA-N -1 1 316.369 0.324 20 0 DCADMM CN(C(=O)C1CC1)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001578848841 1165139454 /nfs/dbraw/zinc/13/94/54/1165139454.db2.gz SWTVJYULKAUKHX-UHFFFAOYSA-N -1 1 314.353 0.468 20 0 DCADMM CN(C(=O)C1CC1)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001578848841 1165139459 /nfs/dbraw/zinc/13/94/59/1165139459.db2.gz SWTVJYULKAUKHX-UHFFFAOYSA-N -1 1 314.353 0.468 20 0 DCADMM CN(C(=O)c1ccc(C(N)=O)cn1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578921168 1165160170 /nfs/dbraw/zinc/16/01/70/1165160170.db2.gz GFJDVXFEQLIJLL-UHFFFAOYSA-N -1 1 324.304 0.032 20 0 DCADMM CN(C)c1ncccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001579001143 1165184788 /nfs/dbraw/zinc/18/47/88/1165184788.db2.gz KODNJYFHWXTKFP-UHFFFAOYSA-N -1 1 324.348 0.904 20 0 DCADMM COc1cc(NC(=O)CNC(=O)c2ncccc2[O-])ccc1N ZINC001579161040 1165226325 /nfs/dbraw/zinc/22/63/25/1165226325.db2.gz JZXALSAFXNLJLF-UHFFFAOYSA-N -1 1 316.317 0.747 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)c1ccccc1 ZINC001579212114 1165238445 /nfs/dbraw/zinc/23/84/45/1165238445.db2.gz YWANZUMJSOXZMP-UHFFFAOYSA-N -1 1 324.348 0.841 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)c1ccccc1 ZINC001579212114 1165238452 /nfs/dbraw/zinc/23/84/52/1165238452.db2.gz YWANZUMJSOXZMP-UHFFFAOYSA-N -1 1 324.348 0.841 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)CC1(C)CC1 ZINC001579211304 1165238478 /nfs/dbraw/zinc/23/84/78/1165238478.db2.gz VZEYWUWAMJIAPU-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)CC1(C)CC1 ZINC001579211304 1165238520 /nfs/dbraw/zinc/23/85/20/1165238520.db2.gz VZEYWUWAMJIAPU-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(Cc1cnn(C)c1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579267127 1165256485 /nfs/dbraw/zinc/25/64/85/1165256485.db2.gz CWOHLKSBLXYQSC-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM CN(Cc1cnn(C)c1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579267127 1165256495 /nfs/dbraw/zinc/25/64/95/1165256495.db2.gz CWOHLKSBLXYQSC-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM CN1c2ccccc2CN(c2cc(-c3nnn[n-]3)ncn2)CC1=O ZINC001579308207 1165267007 /nfs/dbraw/zinc/26/70/07/1165267007.db2.gz GQBUQUGJCUECGR-UHFFFAOYSA-N -1 1 322.332 0.640 20 0 DCADMM CN1c2ccccc2CN(c2cc(-c3nn[n-]n3)ncn2)CC1=O ZINC001579308207 1165267015 /nfs/dbraw/zinc/26/70/15/1165267015.db2.gz GQBUQUGJCUECGR-UHFFFAOYSA-N -1 1 322.332 0.640 20 0 DCADMM CN1c2ccccc2CN(c2ncncc2-c2nn[n-]n2)CC1=O ZINC001579308265 1165267649 /nfs/dbraw/zinc/26/76/49/1165267649.db2.gz JNHBJCCDNDMDNU-UHFFFAOYSA-N -1 1 322.332 0.640 20 0 DCADMM CN1C(=O)c2ccccc2[C@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001579312300 1165269420 /nfs/dbraw/zinc/26/94/20/1165269420.db2.gz VSEVEWFLGAPSBY-GFCCVEGCSA-N -1 1 322.332 0.896 20 0 DCADMM CNC(=O)[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001579386891 1165296314 /nfs/dbraw/zinc/29/63/14/1165296314.db2.gz PVJWAAVUDTZBBX-SECBINFHSA-N -1 1 324.348 0.382 20 0 DCADMM CNC(=O)[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001579386891 1165296322 /nfs/dbraw/zinc/29/63/22/1165296322.db2.gz PVJWAAVUDTZBBX-SECBINFHSA-N -1 1 324.348 0.382 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001579470721 1165322606 /nfs/dbraw/zinc/32/26/06/1165322606.db2.gz ZKTVGJAHVGQKNM-HTQZYQBOSA-N -1 1 317.309 0.192 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001579470721 1165322615 /nfs/dbraw/zinc/32/26/15/1165322615.db2.gz ZKTVGJAHVGQKNM-HTQZYQBOSA-N -1 1 317.309 0.192 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCc2cnoc2)c1 ZINC001579477622 1165326486 /nfs/dbraw/zinc/32/64/86/1165326486.db2.gz VTOAFPSRIUOAFH-UHFFFAOYSA-N -1 1 316.277 0.046 20 0 DCADMM COC(=O)c1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001579480662 1165326876 /nfs/dbraw/zinc/32/68/76/1165326876.db2.gz FBOWBMIKXUQZMM-UHFFFAOYSA-N -1 1 313.277 0.629 20 0 DCADMM COC(=O)c1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001579480662 1165326881 /nfs/dbraw/zinc/32/68/81/1165326881.db2.gz FBOWBMIKXUQZMM-UHFFFAOYSA-N -1 1 313.277 0.629 20 0 DCADMM COC(=O)c1ccc(NCc2cncn2C)c(-c2nnn[n-]2)n1 ZINC001579484349 1165328941 /nfs/dbraw/zinc/32/89/41/1165328941.db2.gz BOCORHOFXZRYRM-UHFFFAOYSA-N -1 1 314.309 0.394 20 0 DCADMM COC(=O)c1ccc(NCc2cncn2C)c(-c2nn[n-]n2)n1 ZINC001579484349 1165328948 /nfs/dbraw/zinc/32/89/48/1165328948.db2.gz BOCORHOFXZRYRM-UHFFFAOYSA-N -1 1 314.309 0.394 20 0 DCADMM COC(=O)c1ncccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579491326 1165331618 /nfs/dbraw/zinc/33/16/18/1165331618.db2.gz HDUIJVUCZNXDEA-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1ncccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579491326 1165331622 /nfs/dbraw/zinc/33/16/22/1165331622.db2.gz HDUIJVUCZNXDEA-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1oc(CNc2ccc(-c3nnn[n-]3)nn2)cc1C ZINC001579493532 1165333840 /nfs/dbraw/zinc/33/38/40/1165333840.db2.gz RAEGYLKAOXGWAJ-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1oc(CNc2ccc(-c3nn[n-]n3)nn2)cc1C ZINC001579493532 1165333846 /nfs/dbraw/zinc/33/38/46/1165333846.db2.gz RAEGYLKAOXGWAJ-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COc1ccccc1[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001580079325 1165493223 /nfs/dbraw/zinc/49/32/23/1165493223.db2.gz HDHHBWWDPDCRFG-JTQLQIEISA-N -1 1 313.321 0.233 20 0 DCADMM COc1ncc(NC(=O)N[C@H]2C[C@@](C)(O)C2)cc1-c1nn[n-]n1 ZINC001580139211 1165515528 /nfs/dbraw/zinc/51/55/28/1165515528.db2.gz ZZAQAHAZCGMOAP-KTLJEJPDSA-N -1 1 319.325 0.305 20 0 DCADMM COc1ncc(NC(=O)c2snnc2C)cc1-c1nn[n-]n1 ZINC001580141517 1165518027 /nfs/dbraw/zinc/51/80/27/1165518027.db2.gz XUWOKGATCHCPTL-UHFFFAOYSA-N -1 1 318.322 0.683 20 0 DCADMM CS[C@@H](C)C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001580191975 1165534116 /nfs/dbraw/zinc/53/41/16/1165534116.db2.gz HTTUAWKJUWQANB-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001580191975 1165534122 /nfs/dbraw/zinc/53/41/22/1165534122.db2.gz HTTUAWKJUWQANB-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM CSc1cccnc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001580236445 1165544272 /nfs/dbraw/zinc/54/42/72/1165544272.db2.gz IKZYGVSHLKSGPT-UHFFFAOYSA-N -1 1 316.350 0.969 20 0 DCADMM CSc1cccnc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001580236445 1165544276 /nfs/dbraw/zinc/54/42/76/1165544276.db2.gz IKZYGVSHLKSGPT-UHFFFAOYSA-N -1 1 316.350 0.969 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccccc1 ZINC001580293839 1165562310 /nfs/dbraw/zinc/56/23/10/1165562310.db2.gz HFPDFCRUKAAJEV-JTQLQIEISA-N -1 1 324.348 0.887 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1 ZINC001580293839 1165562315 /nfs/dbraw/zinc/56/23/15/1165562315.db2.gz HFPDFCRUKAAJEV-JTQLQIEISA-N -1 1 324.348 0.887 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001580373412 1165589396 /nfs/dbraw/zinc/58/93/96/1165589396.db2.gz NWEHIXQTGNPIJT-SCZZXKLOSA-N -1 1 314.353 0.150 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001580373412 1165589403 /nfs/dbraw/zinc/58/94/03/1165589403.db2.gz NWEHIXQTGNPIJT-SCZZXKLOSA-N -1 1 314.353 0.150 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CCC1 ZINC001580418691 1165597679 /nfs/dbraw/zinc/59/76/79/1165597679.db2.gz OPJFSZHVBAFHLP-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CCC1 ZINC001580418691 1165597686 /nfs/dbraw/zinc/59/76/86/1165597686.db2.gz OPJFSZHVBAFHLP-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001580452222 1165605606 /nfs/dbraw/zinc/60/56/06/1165605606.db2.gz FDSFJEUPXGEEJS-AEJSXWLSSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001580452222 1165605612 /nfs/dbraw/zinc/60/56/12/1165605612.db2.gz FDSFJEUPXGEEJS-AEJSXWLSSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001580455917 1165607320 /nfs/dbraw/zinc/60/73/20/1165607320.db2.gz BHTOKAKQDFUROM-QEYWKRMJSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001580455917 1165607324 /nfs/dbraw/zinc/60/73/24/1165607324.db2.gz BHTOKAKQDFUROM-QEYWKRMJSA-N -1 1 314.353 0.372 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](C)C1(CO)CC1 ZINC001580600930 1165651664 /nfs/dbraw/zinc/65/16/64/1165651664.db2.gz RLCAUMFRXSMYKW-QMMMGPOBSA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC001580600452 1165651697 /nfs/dbraw/zinc/65/16/97/1165651697.db2.gz DJMJFTUVCNMMEI-DTWKUNHWSA-N -1 1 318.337 0.165 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H](C)CNC(=O)C(C)C)n1 ZINC001580630872 1165667299 /nfs/dbraw/zinc/66/72/99/1165667299.db2.gz VJYPOSCIPFANAK-JTQLQIEISA-N -1 1 318.385 0.562 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H](C)CNC(=O)C(C)C)n1 ZINC001580630872 1165667301 /nfs/dbraw/zinc/66/73/01/1165667301.db2.gz VJYPOSCIPFANAK-JTQLQIEISA-N -1 1 318.385 0.562 20 0 DCADMM Cc1cc(=O)[nH]c(CNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC001580763792 1165713299 /nfs/dbraw/zinc/71/32/99/1165713299.db2.gz DZOLKHGVPRPCLV-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1onc(CC(=O)NCc2ccnc(C)c2)c1-c1nnn[n-]1 ZINC001580925653 1165759206 /nfs/dbraw/zinc/75/92/06/1165759206.db2.gz MVOPUBRALOKPBP-UHFFFAOYSA-N -1 1 313.321 0.725 20 0 DCADMM Cc1onc(CC(=O)NCc2ccnc(C)c2)c1-c1nn[n-]n1 ZINC001580925653 1165759214 /nfs/dbraw/zinc/75/92/14/1165759214.db2.gz MVOPUBRALOKPBP-UHFFFAOYSA-N -1 1 313.321 0.725 20 0 DCADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc(O)c1C ZINC001580980652 1165769165 /nfs/dbraw/zinc/76/91/65/1165769165.db2.gz JZHDIARBKVTALK-UHFFFAOYSA-N -1 1 314.309 0.419 20 0 DCADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C(N)=O)c1 ZINC001581207718 1165797009 /nfs/dbraw/zinc/79/70/09/1165797009.db2.gz VASPPMMPLBJSRF-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C(N)=O)c1 ZINC001581207718 1165797017 /nfs/dbraw/zinc/79/70/17/1165797017.db2.gz VASPPMMPLBJSRF-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1cnc(COCC(=O)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC001581321152 1165813300 /nfs/dbraw/zinc/81/33/00/1165813300.db2.gz GMJSKBUGWYGKTC-UHFFFAOYSA-N -1 1 315.293 0.713 20 0 DCADMM Cc1cnc(COCC(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001581321152 1165813308 /nfs/dbraw/zinc/81/33/08/1165813308.db2.gz GMJSKBUGWYGKTC-UHFFFAOYSA-N -1 1 315.293 0.713 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC001581607109 1165850351 /nfs/dbraw/zinc/85/03/51/1165850351.db2.gz XMHRPEWBUBHZAX-LURJTMIESA-N -1 1 315.297 0.836 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001581607109 1165850360 /nfs/dbraw/zinc/85/03/60/1165850360.db2.gz XMHRPEWBUBHZAX-LURJTMIESA-N -1 1 315.297 0.836 20 0 DCADMM Cc1nsc(NC(=O)[C@@H]2CC(=O)N(C)C2)c1-c1nnn[n-]1 ZINC001581683928 1165857647 /nfs/dbraw/zinc/85/76/47/1165857647.db2.gz QIVJXKVHURPCAB-ZCFIWIBFSA-N -1 1 307.339 0.048 20 0 DCADMM Cc1nsc(NC(=O)[C@@H]2CC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC001581683928 1165857651 /nfs/dbraw/zinc/85/76/51/1165857651.db2.gz QIVJXKVHURPCAB-ZCFIWIBFSA-N -1 1 307.339 0.048 20 0 DCADMM Cc1nsc(NC(=O)N(C)CCCCO)c1-c1nnn[n-]1 ZINC001581685730 1165860247 /nfs/dbraw/zinc/86/02/47/1165860247.db2.gz QWLDCUKIODZXPP-UHFFFAOYSA-N -1 1 311.371 0.868 20 0 DCADMM Cc1nsc(NC(=O)N(C)CCCCO)c1-c1nn[n-]n1 ZINC001581685730 1165860255 /nfs/dbraw/zinc/86/02/55/1165860255.db2.gz QWLDCUKIODZXPP-UHFFFAOYSA-N -1 1 311.371 0.868 20 0 DCADMM Cc1nsc(NCCn2ccc(=O)[nH]c2=O)c1-c1nn[n-]n1 ZINC001581719585 1165861496 /nfs/dbraw/zinc/86/14/96/1165861496.db2.gz RVLFZMRXMCWFLL-UHFFFAOYSA-N -1 1 320.338 0.006 20 0 DCADMM NC(=O)c1cccc2c1CCN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001581905294 1165908990 /nfs/dbraw/zinc/90/89/90/1165908990.db2.gz APKLYULTKZLWKL-UHFFFAOYSA-N -1 1 322.332 0.318 20 0 DCADMM NC(=O)c1cccc2c1CCN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001581905294 1165908997 /nfs/dbraw/zinc/90/89/97/1165908997.db2.gz APKLYULTKZLWKL-UHFFFAOYSA-N -1 1 322.332 0.318 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1c(F)ccnc1Cl ZINC001581909028 1165910234 /nfs/dbraw/zinc/91/02/34/1165910234.db2.gz MWUVHPAJIMPEMJ-UHFFFAOYSA-N -1 1 308.664 0.521 20 0 DCADMM Nc1nnc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001581911478 1165912175 /nfs/dbraw/zinc/91/21/75/1165912175.db2.gz UTEUWMJSTQULGV-SSDOTTSWSA-N -1 1 314.313 0.006 20 0 DCADMM Nc1nnc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001581911478 1165912181 /nfs/dbraw/zinc/91/21/81/1165912181.db2.gz UTEUWMJSTQULGV-SSDOTTSWSA-N -1 1 314.313 0.006 20 0 DCADMM O=C(C1CC1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001581923662 1165915308 /nfs/dbraw/zinc/91/53/08/1165915308.db2.gz ZFYAXOOGXYKCKF-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001581923662 1165915313 /nfs/dbraw/zinc/91/53/13/1165915313.db2.gz ZFYAXOOGXYKCKF-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@]12CCC[C@H]1OCC2 ZINC001582138356 1165967098 /nfs/dbraw/zinc/96/70/98/1165967098.db2.gz ANGMYKXLHVIQNH-DOMZBBRYSA-N -1 1 314.349 0.632 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@]12CCC[C@H]1OCC2 ZINC001582138356 1165967104 /nfs/dbraw/zinc/96/71/04/1165967104.db2.gz ANGMYKXLHVIQNH-DOMZBBRYSA-N -1 1 314.349 0.632 20 0 DCADMM O=C(Cn1cc(Cl)cn1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001582189486 1165978263 /nfs/dbraw/zinc/97/82/63/1165978263.db2.gz GJQNQCMCOUJZLB-UHFFFAOYSA-N -1 1 324.757 0.490 20 0 DCADMM O=C(Cn1cc(Cl)cn1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001582189486 1165978270 /nfs/dbraw/zinc/97/82/70/1165978270.db2.gz GJQNQCMCOUJZLB-UHFFFAOYSA-N -1 1 324.757 0.490 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001582198043 1165982423 /nfs/dbraw/zinc/98/24/23/1165982423.db2.gz KGTQMFSKZZWGFQ-JQWIXIFHSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(NCCCNc1cnc(-c2nnn[n-]2)cn1)c1cc[nH]c1 ZINC001582507332 1166028933 /nfs/dbraw/zinc/02/89/33/1166028933.db2.gz NTHPQWYHIVCQIR-UHFFFAOYSA-N -1 1 313.325 0.217 20 0 DCADMM O=C(NCCCNc1cnc(-c2nn[n-]n2)cn1)c1cc[nH]c1 ZINC001582507332 1166028941 /nfs/dbraw/zinc/02/89/41/1166028941.db2.gz NTHPQWYHIVCQIR-UHFFFAOYSA-N -1 1 313.325 0.217 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1C[C@]12CCOC2 ZINC001582548507 1166038855 /nfs/dbraw/zinc/03/88/55/1166038855.db2.gz RZVLWWYRJRDYLA-ZANVPECISA-N -1 1 305.363 0.971 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccnc2ccnn21 ZINC001582554391 1166042303 /nfs/dbraw/zinc/04/23/03/1166042303.db2.gz GLYYRAHMYUKZNP-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccnc2ccnn21 ZINC001582554391 1166042307 /nfs/dbraw/zinc/04/23/07/1166042307.db2.gz GLYYRAHMYUKZNP-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCC1N=NC(=O)N1C1CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001582558146 1166043300 /nfs/dbraw/zinc/04/33/00/1166043300.db2.gz JKIBPVQSLXYNFO-UHFFFAOYSA-N -1 1 316.281 0.022 20 0 DCADMM O=C(NCC1N=NC(=O)N1C1CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001582558146 1166043311 /nfs/dbraw/zinc/04/33/11/1166043311.db2.gz JKIBPVQSLXYNFO-UHFFFAOYSA-N -1 1 316.281 0.022 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1csc(=O)[nH]1 ZINC001582629451 1166054693 /nfs/dbraw/zinc/05/46/93/1166054693.db2.gz OWZOYWHTUOJFSC-UHFFFAOYSA-N -1 1 318.322 0.882 20 0 DCADMM O=C(Nc1ccc(CO)c(CO)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001582638813 1166058593 /nfs/dbraw/zinc/05/85/93/1166058593.db2.gz DDXHCKPDWSJAQX-UHFFFAOYSA-N -1 1 315.289 0.697 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](c2ncccn2)C1 ZINC001582701737 1166068150 /nfs/dbraw/zinc/06/81/50/1166068150.db2.gz XOVSZALLRDMZRU-LLVKDONJSA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](c2ncccn2)C1 ZINC001582701737 1166068154 /nfs/dbraw/zinc/06/81/54/1166068154.db2.gz XOVSZALLRDMZRU-LLVKDONJSA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@H](n2cncn2)C1 ZINC001582745319 1166073547 /nfs/dbraw/zinc/07/35/47/1166073547.db2.gz ZLDGFCNCVZIRLF-VIFPVBQESA-N -1 1 316.350 0.607 20 0 DCADMM O=C1Cc2ccccc2N1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001582778471 1166080078 /nfs/dbraw/zinc/08/00/78/1166080078.db2.gz VPWUVMMBFKNFPR-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM O=C1Cc2ccccc2N1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001582778471 1166080082 /nfs/dbraw/zinc/08/00/82/1166080082.db2.gz VPWUVMMBFKNFPR-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM O=C1Nc2ccccc2CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001582789309 1166081512 /nfs/dbraw/zinc/08/15/12/1166081512.db2.gz KDAHWUNDRZSKTQ-LLVKDONJSA-N -1 1 322.332 0.444 20 0 DCADMM OC[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)[C@H]1CCOC1 ZINC001582813283 1166094372 /nfs/dbraw/zinc/09/43/72/1166094372.db2.gz ZLIBNNORKSFWDE-NTSWFWBYSA-N -1 1 316.774 0.786 20 0 DCADMM Cc1ccn2cc(C(=O)N3CCOC[C@H]3c3nn[n-]n3)nc2c1 ZINC001586803742 1166499757 /nfs/dbraw/zinc/49/97/57/1166499757.db2.gz BJHKTKRXCBOOJI-NSHDSACASA-N -1 1 313.321 0.370 20 0 DCADMM CCOc1n[nH]c(NC(=O)c2ccc3n[n-]c(=S)n3c2)n1 ZINC001587744012 1166511166 /nfs/dbraw/zinc/51/11/66/1166511166.db2.gz JPVZVTBHRFGZQE-UHFFFAOYSA-N -1 1 305.323 0.787 20 0 DCADMM C=C/C(C)=C\CC(=O)NCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001588512529 1166557986 /nfs/dbraw/zinc/55/79/86/1166557986.db2.gz ISOYQWJAVSTGFF-WMZJFQQLSA-N -1 1 314.353 0.129 20 0 DCADMM C=CS(=O)(=O)CCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588717067 1166580795 /nfs/dbraw/zinc/58/07/95/1166580795.db2.gz ROSLPPYOMKRGPX-UHFFFAOYSA-N -1 1 308.323 0.149 20 0 DCADMM C=CS(=O)(=O)CCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588717067 1166580801 /nfs/dbraw/zinc/58/08/01/1166580801.db2.gz ROSLPPYOMKRGPX-UHFFFAOYSA-N -1 1 308.323 0.149 20 0 DCADMM CC(=CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)c1cnccn1 ZINC001588764893 1166587464 /nfs/dbraw/zinc/58/74/64/1166587464.db2.gz DGSNRWRMRFLLLB-FNORWQNLSA-N -1 1 311.309 0.730 20 0 DCADMM C/C(=C\C(C)(C)C)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588767952 1166587537 /nfs/dbraw/zinc/58/75/37/1166587537.db2.gz JOLIXFVJMGZXQN-VQHVLOKHSA-N -1 1 304.358 0.567 20 0 DCADMM CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001588810621 1166594074 /nfs/dbraw/zinc/59/40/74/1166594074.db2.gz BCKHHWXGJXIQTM-MWLCHTKSSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588810621 1166594078 /nfs/dbraw/zinc/59/40/78/1166594078.db2.gz BCKHHWXGJXIQTM-MWLCHTKSSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001588841681 1166605530 /nfs/dbraw/zinc/60/55/30/1166605530.db2.gz NDFBJUYUUDKPQN-SCZZXKLOSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588841681 1166605533 /nfs/dbraw/zinc/60/55/33/1166605533.db2.gz NDFBJUYUUDKPQN-SCZZXKLOSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001588841942 1166606042 /nfs/dbraw/zinc/60/60/42/1166606042.db2.gz SPWBIRSIAIFING-WPRPVWTQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001588841942 1166606050 /nfs/dbraw/zinc/60/60/50/1166606050.db2.gz SPWBIRSIAIFING-WPRPVWTQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CC[C@@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588840168 1166606411 /nfs/dbraw/zinc/60/64/11/1166606411.db2.gz OUBILOAOMGDCJJ-PSASIEDQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)NC[C@H]1CCCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001588854919 1166609281 /nfs/dbraw/zinc/60/92/81/1166609281.db2.gz MSMXQYNWKDJRHZ-LLVKDONJSA-N -1 1 301.354 0.757 20 0 DCADMM CC(=O)NC[C@H]1CCCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001588854919 1166609284 /nfs/dbraw/zinc/60/92/84/1166609284.db2.gz MSMXQYNWKDJRHZ-LLVKDONJSA-N -1 1 301.354 0.757 20 0 DCADMM CC(=O)OCC(C)(C)CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001588887797 1166613957 /nfs/dbraw/zinc/61/39/57/1166613957.db2.gz AYOZETXGLBTFBI-UHFFFAOYSA-N -1 1 321.341 0.816 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](C)OCC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001588963412 1166621288 /nfs/dbraw/zinc/62/12/88/1166621288.db2.gz WGOPLRJSZASXAT-BBBLOLIVSA-N -1 1 320.357 0.045 20 0 DCADMM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001588965910 1166624922 /nfs/dbraw/zinc/62/49/22/1166624922.db2.gz OOZXXKBFZKFNGQ-QMMMGPOBSA-N -1 1 320.353 0.835 20 0 DCADMM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001588965910 1166624926 /nfs/dbraw/zinc/62/49/26/1166624926.db2.gz OOZXXKBFZKFNGQ-QMMMGPOBSA-N -1 1 320.353 0.835 20 0 DCADMM C[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)N1CCc2ccccc21 ZINC001589011805 1166626971 /nfs/dbraw/zinc/62/69/71/1166626971.db2.gz MVZHDAZWWQSDST-VIFPVBQESA-N -1 1 324.348 0.980 20 0 DCADMM C[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC001589011805 1166626975 /nfs/dbraw/zinc/62/69/75/1166626975.db2.gz MVZHDAZWWQSDST-VIFPVBQESA-N -1 1 324.348 0.980 20 0 DCADMM CC(C)(C)C(=O)NC/C=C/CNc1ccnc(-c2nn[n-]n2)n1 ZINC001589085115 1166633397 /nfs/dbraw/zinc/63/33/97/1166633397.db2.gz VCFYIMRUOWJPNZ-SNAWJCMRSA-N -1 1 316.369 0.209 20 0 DCADMM CC(C)(C)NC(=O)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589141121 1166637760 /nfs/dbraw/zinc/63/77/60/1166637760.db2.gz IVGKFWMQBSLFKG-UHFFFAOYSA-N -1 1 318.337 0.262 20 0 DCADMM CC(C)(C)NC(=O)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589141121 1166637763 /nfs/dbraw/zinc/63/77/63/1166637763.db2.gz IVGKFWMQBSLFKG-UHFFFAOYSA-N -1 1 318.337 0.262 20 0 DCADMM CC(C)(O)CCNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589333261 1166649524 /nfs/dbraw/zinc/64/95/24/1166649524.db2.gz NRSRZEAWLUAHER-UHFFFAOYSA-N -1 1 310.383 0.888 20 0 DCADMM CC(C)=CC(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589354456 1166651850 /nfs/dbraw/zinc/65/18/50/1166651850.db2.gz QRLFMYSUTIDXJG-SNVBAGLBSA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)=CC(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589354456 1166651855 /nfs/dbraw/zinc/65/18/55/1166651855.db2.gz QRLFMYSUTIDXJG-SNVBAGLBSA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)[C@@H]1C[C@H](C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC001589500025 1166663154 /nfs/dbraw/zinc/66/31/54/1166663154.db2.gz VUXVXPZKQFPRGW-KOLCDFICSA-N -1 1 319.369 0.990 20 0 DCADMM CC(C)[C@@H]1C[C@H](C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC001589500025 1166663162 /nfs/dbraw/zinc/66/31/62/1166663162.db2.gz VUXVXPZKQFPRGW-KOLCDFICSA-N -1 1 319.369 0.990 20 0 DCADMM CC(C)O[C@@]1(Cn2cnc(-c3nn[n-]n3)cc2=O)CCOC1 ZINC001589736929 1166680612 /nfs/dbraw/zinc/68/06/12/1166680612.db2.gz FADIXNPACRIMLO-CYBMUJFWSA-N -1 1 306.326 0.008 20 0 DCADMM CC(C)OC[C@H](CO)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589745681 1166681090 /nfs/dbraw/zinc/68/10/90/1166681090.db2.gz AECWTJYCBAEASP-JTQLQIEISA-N -1 1 309.326 0.318 20 0 DCADMM CC(C)OC[C@H](CO)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589745681 1166681097 /nfs/dbraw/zinc/68/10/97/1166681097.db2.gz AECWTJYCBAEASP-JTQLQIEISA-N -1 1 309.326 0.318 20 0 DCADMM CC(C)OC[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001589746242 1166681692 /nfs/dbraw/zinc/68/16/92/1166681692.db2.gz QADOVWJVPAYQRO-LLVKDONJSA-N -1 1 304.354 0.892 20 0 DCADMM CC(C)OC[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001589746242 1166681696 /nfs/dbraw/zinc/68/16/96/1166681696.db2.gz QADOVWJVPAYQRO-LLVKDONJSA-N -1 1 304.354 0.892 20 0 DCADMM CC(C)O[C@@H]1CCN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001589750350 1166683484 /nfs/dbraw/zinc/68/34/84/1166683484.db2.gz WYLQRMPVWDJPEA-NXEZZACHSA-N -1 1 320.357 0.045 20 0 DCADMM CC(C)n1ccc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001589782928 1166686047 /nfs/dbraw/zinc/68/60/47/1166686047.db2.gz DUEHSZJNRVAAIV-UHFFFAOYSA-N -1 1 301.314 0.548 20 0 DCADMM CC(C)n1ccc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001589782928 1166686051 /nfs/dbraw/zinc/68/60/51/1166686051.db2.gz DUEHSZJNRVAAIV-UHFFFAOYSA-N -1 1 301.314 0.548 20 0 DCADMM CC(C)n1nnc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001589785642 1166688065 /nfs/dbraw/zinc/68/80/65/1166688065.db2.gz PNCQAIWREJWLQX-UHFFFAOYSA-N -1 1 314.313 0.010 20 0 DCADMM CC(C)n1nnc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001589785642 1166688070 /nfs/dbraw/zinc/68/80/70/1166688070.db2.gz PNCQAIWREJWLQX-UHFFFAOYSA-N -1 1 314.313 0.010 20 0 DCADMM C[C@@H](CC(N)=O)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589803493 1166690367 /nfs/dbraw/zinc/69/03/67/1166690367.db2.gz OFQMMQCGFGWMFZ-YFKPBYRVSA-N -1 1 315.259 0.956 20 0 DCADMM C[C@@H](CC(N)=O)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589803493 1166690369 /nfs/dbraw/zinc/69/03/69/1166690369.db2.gz OFQMMQCGFGWMFZ-YFKPBYRVSA-N -1 1 315.259 0.956 20 0 DCADMM C[C@H](C[C@@H]1CCOC1)OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589803906 1166690654 /nfs/dbraw/zinc/69/06/54/1166690654.db2.gz VXGRUCSLONHGKD-UTLUCORTSA-N -1 1 321.341 0.378 20 0 DCADMM C[C@@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)C1CC1 ZINC001589846853 1166696895 /nfs/dbraw/zinc/69/68/95/1166696895.db2.gz BFESBCURMFMSTA-QMMMGPOBSA-N -1 1 302.342 0.008 20 0 DCADMM C[C@@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)C1CC1 ZINC001589846853 1166696898 /nfs/dbraw/zinc/69/68/98/1166696898.db2.gz BFESBCURMFMSTA-QMMMGPOBSA-N -1 1 302.342 0.008 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589850350 1166699065 /nfs/dbraw/zinc/69/90/65/1166699065.db2.gz ISXWWCMWDSFZHK-QMMMGPOBSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589850350 1166699071 /nfs/dbraw/zinc/69/90/71/1166699071.db2.gz ISXWWCMWDSFZHK-QMMMGPOBSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)N1CCCCC1=O ZINC001589876485 1166704202 /nfs/dbraw/zinc/70/42/02/1166704202.db2.gz XLKQCGVBIGXIIC-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM C[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)N1CCCCC1=O ZINC001589876485 1166704210 /nfs/dbraw/zinc/70/42/10/1166704210.db2.gz XLKQCGVBIGXIIC-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N1CCCCC1=O ZINC001589878565 1166706680 /nfs/dbraw/zinc/70/66/80/1166706680.db2.gz BPKYCORIRXBEPR-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N1CCCCC1=O ZINC001589878565 1166706685 /nfs/dbraw/zinc/70/66/85/1166706685.db2.gz BPKYCORIRXBEPR-SECBINFHSA-N -1 1 302.342 0.470 20 0 DCADMM C[C@@H](CO)CCCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589885998 1166708168 /nfs/dbraw/zinc/70/81/68/1166708168.db2.gz CWNITQLDARTBTQ-SECBINFHSA-N -1 1 305.342 0.792 20 0 DCADMM C[C@@H](CO)CCCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589885998 1166708172 /nfs/dbraw/zinc/70/81/72/1166708172.db2.gz CWNITQLDARTBTQ-SECBINFHSA-N -1 1 305.342 0.792 20 0 DCADMM C[C@@H](Cn1cnc2ncc(-c3nn[n-]n3)c(=O)n21)C(C)(C)C ZINC001589903813 1166714446 /nfs/dbraw/zinc/71/44/46/1166714446.db2.gz JMKSBZIBMAISSB-QMMMGPOBSA-N -1 1 302.342 0.753 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H](O)C(F)(F)F ZINC001589944339 1166727218 /nfs/dbraw/zinc/72/72/18/1166727218.db2.gz FIOIRLMQPGKGPT-FFWSUHOLSA-N -1 1 321.284 0.970 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H](O)C(F)(F)F ZINC001589944339 1166727221 /nfs/dbraw/zinc/72/72/21/1166727221.db2.gz FIOIRLMQPGKGPT-FFWSUHOLSA-N -1 1 321.284 0.970 20 0 DCADMM C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1nccc(N)n1 ZINC001589948964 1166727736 /nfs/dbraw/zinc/72/77/36/1166727736.db2.gz SXHIEZFVOCGHDM-LURJTMIESA-N -1 1 316.350 0.791 20 0 DCADMM C[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)N(C)C ZINC001589945780 1166728322 /nfs/dbraw/zinc/72/83/22/1166728322.db2.gz BEHSFMGPZIJJQM-SSDOTTSWSA-N -1 1 306.301 0.212 20 0 DCADMM C[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)N(C)C ZINC001589945780 1166728327 /nfs/dbraw/zinc/72/83/27/1166728327.db2.gz BEHSFMGPZIJJQM-SSDOTTSWSA-N -1 1 306.301 0.212 20 0 DCADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1nnnn1C1CC1 ZINC001589977080 1166735071 /nfs/dbraw/zinc/73/50/71/1166735071.db2.gz UGVYANFAWGBKAV-LURJTMIESA-N -1 1 318.370 0.495 20 0 DCADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1nnnn1C1CC1 ZINC001589977080 1166735075 /nfs/dbraw/zinc/73/50/75/1166735075.db2.gz UGVYANFAWGBKAV-LURJTMIESA-N -1 1 318.370 0.495 20 0 DCADMM C[C@@H](OC(=O)c1ccsc1-c1nnn[n-]1)c1nnnn1C ZINC001590015137 1166752482 /nfs/dbraw/zinc/75/24/82/1166752482.db2.gz WTZUHKMBLGKWDM-RXMQYKEDSA-N -1 1 306.311 0.370 20 0 DCADMM C[C@@H](OC(=O)c1ccsc1-c1nn[n-]n1)c1nnnn1C ZINC001590015137 1166752486 /nfs/dbraw/zinc/75/24/86/1166752486.db2.gz WTZUHKMBLGKWDM-RXMQYKEDSA-N -1 1 306.311 0.370 20 0 DCADMM C[C@]1(C(=O)NCCNc2ccc(-c3nnn[n-]3)nn2)C=CCC1 ZINC001590067821 1166763827 /nfs/dbraw/zinc/76/38/27/1166763827.db2.gz LZLVFXSKHSZXSN-AWEZNQCLSA-N -1 1 314.353 0.541 20 0 DCADMM C[C@]1(C(=O)NCCNc2ccc(-c3nn[n-]n3)nn2)C=CCC1 ZINC001590067821 1166763831 /nfs/dbraw/zinc/76/38/31/1166763831.db2.gz LZLVFXSKHSZXSN-AWEZNQCLSA-N -1 1 314.353 0.541 20 0 DCADMM C[C@]1(C(F)(F)F)CN(c2ncncc2-c2nn[n-]n2)CCO1 ZINC001590075102 1166765867 /nfs/dbraw/zinc/76/58/67/1166765867.db2.gz ZXNLALAFRRNCIA-SNVBAGLBSA-N -1 1 315.259 0.814 20 0 DCADMM C[C@]1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCNC(=O)C1 ZINC001590072626 1166766272 /nfs/dbraw/zinc/76/62/72/1166766272.db2.gz HOASSMYWXMFEQI-ZDUSSCGKSA-N -1 1 305.294 0.419 20 0 DCADMM C[C@]1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCNC(=O)C1 ZINC001590072626 1166766282 /nfs/dbraw/zinc/76/62/82/1166766282.db2.gz HOASSMYWXMFEQI-ZDUSSCGKSA-N -1 1 305.294 0.419 20 0 DCADMM CC1(C)C[C@H](Nc2ncncc2-c2nn[n-]n2)CCS1(=O)=O ZINC001590084019 1166771142 /nfs/dbraw/zinc/77/11/42/1166771142.db2.gz SIXDVQNDXNHFHQ-MRVPVSSYSA-N -1 1 323.382 0.424 20 0 DCADMM CC1(C)SC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590115977 1166778643 /nfs/dbraw/zinc/77/86/43/1166778643.db2.gz AKAPHOQWECXKQU-SNVBAGLBSA-N -1 1 304.379 0.814 20 0 DCADMM CC1(C)SC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590115977 1166778653 /nfs/dbraw/zinc/77/86/53/1166778653.db2.gz AKAPHOQWECXKQU-SNVBAGLBSA-N -1 1 304.379 0.814 20 0 DCADMM C[C@]1(COC(=O)c2ccc(-c3nn[n-]n3)o2)CCC(=O)NC1 ZINC001590137034 1166788153 /nfs/dbraw/zinc/78/81/53/1166788153.db2.gz RYHYGZKWZYUNIU-ZDUSSCGKSA-N -1 1 305.294 0.533 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)[C@@H](C)O1 ZINC001590193317 1166805358 /nfs/dbraw/zinc/80/53/58/1166805358.db2.gz JSQIUKUEOKXSFB-CKYFFXLPSA-N -1 1 316.365 0.734 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)[C@@H](C)O1 ZINC001590193317 1166805367 /nfs/dbraw/zinc/80/53/67/1166805367.db2.gz JSQIUKUEOKXSFB-CKYFFXLPSA-N -1 1 316.365 0.734 20 0 DCADMM C[C@@H](C(=O)N[C@H]1CS[C@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590196489 1166807667 /nfs/dbraw/zinc/80/76/67/1166807667.db2.gz IVMAPMZSMWTPLH-GJMOJQLCSA-N -1 1 308.371 0.029 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CO1 ZINC001590202397 1166812307 /nfs/dbraw/zinc/81/23/07/1166812307.db2.gz GWKSGMADFZYTNB-RQJHMYQMSA-N -1 1 308.729 0.822 20 0 DCADMM C[C@@H]1C[C@@H](NCc2nc(-c3nnn[n-]3)cs2)c2ncnn21 ZINC001590206053 1166813864 /nfs/dbraw/zinc/81/38/64/1166813864.db2.gz SKKXLFXUHMNNTQ-RNFRBKRXSA-N -1 1 303.355 0.710 20 0 DCADMM C[C@@H]1C[C@@H](NCc2nc(-c3nn[n-]n3)cs2)c2ncnn21 ZINC001590206053 1166813869 /nfs/dbraw/zinc/81/38/69/1166813869.db2.gz SKKXLFXUHMNNTQ-RNFRBKRXSA-N -1 1 303.355 0.710 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001590214793 1166814318 /nfs/dbraw/zinc/81/43/18/1166814318.db2.gz CGDGRMKMGMWXLD-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001590214793 1166814324 /nfs/dbraw/zinc/81/43/24/1166814324.db2.gz CGDGRMKMGMWXLD-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590214470 1166815312 /nfs/dbraw/zinc/81/53/12/1166815312.db2.gz NDUQALIEMHSFSI-RKDXNWHRSA-N -1 1 302.342 0.183 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590214470 1166815317 /nfs/dbraw/zinc/81/53/17/1166815317.db2.gz NDUQALIEMHSFSI-RKDXNWHRSA-N -1 1 302.342 0.183 20 0 DCADMM C[C@H]1C[C@H](O)CN1C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001590212750 1166816237 /nfs/dbraw/zinc/81/62/37/1166816237.db2.gz WGTZIEKSJMQAMT-IUCAKERBSA-N -1 1 312.333 0.943 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590213454 1166816629 /nfs/dbraw/zinc/81/66/29/1166816629.db2.gz APWLQZPVGOXBBD-SFYZADRCSA-N -1 1 304.358 0.219 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590213454 1166816633 /nfs/dbraw/zinc/81/66/33/1166816633.db2.gz APWLQZPVGOXBBD-SFYZADRCSA-N -1 1 304.358 0.219 20 0 DCADMM C[C@@H]1C[C@@]2(CC[C@H](CNc3cc(-c4nnn[n-]4)ncn3)O2)CO1 ZINC001590221932 1166819345 /nfs/dbraw/zinc/81/93/45/1166819345.db2.gz VPLAGIKNKDSTBS-RULNRJAQSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1C[C@@]2(CC[C@H](CNc3cc(-c4nn[n-]n4)ncn3)O2)CO1 ZINC001590221932 1166819349 /nfs/dbraw/zinc/81/93/49/1166819349.db2.gz VPLAGIKNKDSTBS-RULNRJAQSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590256465 1166829111 /nfs/dbraw/zinc/82/91/11/1166829111.db2.gz FDEFSNVPVKSFLO-SECBINFHSA-N -1 1 315.337 0.459 20 0 DCADMM C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590256465 1166829117 /nfs/dbraw/zinc/82/91/17/1166829117.db2.gz FDEFSNVPVKSFLO-SECBINFHSA-N -1 1 315.337 0.459 20 0 DCADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1CO ZINC001590270324 1166831376 /nfs/dbraw/zinc/83/13/76/1166831376.db2.gz UGSSFUWMWMGGKV-MWLCHTKSSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1CO ZINC001590270324 1166831383 /nfs/dbraw/zinc/83/13/83/1166831383.db2.gz UGSSFUWMWMGGKV-MWLCHTKSSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@@]1(C)CO ZINC001590293114 1166842996 /nfs/dbraw/zinc/84/29/96/1166842996.db2.gz UCBVNJFMCVTUMX-BONVTDFDSA-N -1 1 316.365 0.281 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@@]1(C)CO ZINC001590293114 1166843000 /nfs/dbraw/zinc/84/30/00/1166843000.db2.gz UCBVNJFMCVTUMX-BONVTDFDSA-N -1 1 316.365 0.281 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@]1(C)CO ZINC001590293117 1166843213 /nfs/dbraw/zinc/84/32/13/1166843213.db2.gz UCBVNJFMCVTUMX-ZUZCIYMTSA-N -1 1 316.365 0.281 20 0 DCADMM C[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@]1(C)CO ZINC001590293117 1166843218 /nfs/dbraw/zinc/84/32/18/1166843218.db2.gz UCBVNJFMCVTUMX-ZUZCIYMTSA-N -1 1 316.365 0.281 20 0 DCADMM C[C@H]1CN(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](C)CO1 ZINC001590305869 1166850649 /nfs/dbraw/zinc/85/06/49/1166850649.db2.gz YXTOLCCZQTWJTJ-UWVGGRQHSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@H]1CN(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](C)CO1 ZINC001590305869 1166850655 /nfs/dbraw/zinc/85/06/55/1166850655.db2.gz YXTOLCCZQTWJTJ-UWVGGRQHSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)C[C@]2(CCOC2)O1 ZINC001590313923 1166857433 /nfs/dbraw/zinc/85/74/33/1166857433.db2.gz PAWHIIIEPMTMLO-RNCFNFMXSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)C[C@]2(CCOC2)O1 ZINC001590313923 1166857437 /nfs/dbraw/zinc/85/74/37/1166857437.db2.gz PAWHIIIEPMTMLO-RNCFNFMXSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC(=O)N1 ZINC001590311734 1166857977 /nfs/dbraw/zinc/85/79/77/1166857977.db2.gz FVKQRPZTHRZOQP-VIFPVBQESA-N -1 1 309.333 0.740 20 0 DCADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC(=O)N1 ZINC001590311734 1166857986 /nfs/dbraw/zinc/85/79/86/1166857986.db2.gz FVKQRPZTHRZOQP-VIFPVBQESA-N -1 1 309.333 0.740 20 0 DCADMM C[C@H]1CO[C@H](C(F)(F)F)CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590323570 1166866312 /nfs/dbraw/zinc/86/63/12/1166866312.db2.gz MRLVYVIXCXPLBT-XPUUQOCRSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CO[C@H](C(F)(F)F)CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590323570 1166866321 /nfs/dbraw/zinc/86/63/21/1166866321.db2.gz MRLVYVIXCXPLBT-XPUUQOCRSA-N -1 1 315.259 0.813 20 0 DCADMM CCC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001590360604 1166884854 /nfs/dbraw/zinc/88/48/54/1166884854.db2.gz AMQPTWAMJWTLJE-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001590360604 1166884870 /nfs/dbraw/zinc/88/48/70/1166884870.db2.gz AMQPTWAMJWTLJE-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N[C@H](C)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590363800 1166887438 /nfs/dbraw/zinc/88/74/38/1166887438.db2.gz XVRJCORPAQBMCT-ZCFIWIBFSA-N -1 1 309.355 0.485 20 0 DCADMM CCC(=O)N[C@H](C)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590363800 1166887441 /nfs/dbraw/zinc/88/74/41/1166887441.db2.gz XVRJCORPAQBMCT-ZCFIWIBFSA-N -1 1 309.355 0.485 20 0 DCADMM CCC(=O)NC[C@@H](C)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001590364310 1166889191 /nfs/dbraw/zinc/88/91/91/1166889191.db2.gz UPHDKGHJWUULLU-SSDOTTSWSA-N -1 1 309.399 0.983 20 0 DCADMM CCC(C)(C)C(=O)COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590372088 1166891922 /nfs/dbraw/zinc/89/19/22/1166891922.db2.gz ONZUIORDZXALSG-MRVPVSSYSA-N -1 1 321.341 0.568 20 0 DCADMM CC[C@@H](C)[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)OC ZINC001590398433 1166898531 /nfs/dbraw/zinc/89/85/31/1166898531.db2.gz BLEXUQZFCYZZSU-HTQZYQBOSA-N -1 1 323.357 0.139 20 0 DCADMM CC[C@H](C)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590395281 1166898715 /nfs/dbraw/zinc/89/87/15/1166898715.db2.gz ZWTNVGQIBWJHGQ-DTWKUNHWSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@H](C)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590395281 1166898723 /nfs/dbraw/zinc/89/87/23/1166898723.db2.gz ZWTNVGQIBWJHGQ-DTWKUNHWSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590411862 1166901401 /nfs/dbraw/zinc/90/14/01/1166901401.db2.gz CKMYFQKRHQCLET-JGVFFNPUSA-N -1 1 307.310 0.920 20 0 DCADMM CC[C@@H](CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001590442498 1166906160 /nfs/dbraw/zinc/90/61/60/1166906160.db2.gz UKJJBRURIMSQKV-JTQLQIEISA-N -1 1 318.337 0.120 20 0 DCADMM CC[C@@H](CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC001590442498 1166906162 /nfs/dbraw/zinc/90/61/62/1166906162.db2.gz UKJJBRURIMSQKV-JTQLQIEISA-N -1 1 318.337 0.120 20 0 DCADMM CC[C@@H](CNC(=O)C=C(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590440355 1166906531 /nfs/dbraw/zinc/90/65/31/1166906531.db2.gz JUOXDAYULYCSQJ-JTQLQIEISA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@@H](CNC(=O)C=C(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590440355 1166906536 /nfs/dbraw/zinc/90/65/36/1166906536.db2.gz JUOXDAYULYCSQJ-JTQLQIEISA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@H](O)C(F)F ZINC001590459194 1166914130 /nfs/dbraw/zinc/91/41/30/1166914130.db2.gz IJIQPZUBSWQHSV-RCOVLWMOSA-N -1 1 312.280 0.396 20 0 DCADMM CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@H](O)C(F)F ZINC001590459194 1166914135 /nfs/dbraw/zinc/91/41/35/1166914135.db2.gz IJIQPZUBSWQHSV-RCOVLWMOSA-N -1 1 312.280 0.396 20 0 DCADMM CC[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)[C@H](C)O ZINC001590457520 1166915944 /nfs/dbraw/zinc/91/59/44/1166915944.db2.gz REASBEMLPNPFQQ-CBAPKCEASA-N -1 1 306.326 0.165 20 0 DCADMM CC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001590472596 1166916779 /nfs/dbraw/zinc/91/67/79/1166916779.db2.gz UTPYZTWGRKTWSL-HTQZYQBOSA-N -1 1 321.341 0.036 20 0 DCADMM CC[C@H](OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001590477572 1166920510 /nfs/dbraw/zinc/92/05/10/1166920510.db2.gz VSBWGBLVCQLHFC-WDSKDSINSA-N -1 1 319.247 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/nfs/dbraw/zinc/93/31/36/1166933136.db2.gz AQEGQEBNTAFFAT-IUCAKERBSA-N -1 1 323.382 0.059 20 0 DCADMM CC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@]2(CCOC2)O1 ZINC001590521554 1166933604 /nfs/dbraw/zinc/93/36/04/1166933604.db2.gz BMEQTJMYOBJLJA-IINYFYTJSA-N -1 1 317.353 0.431 20 0 DCADMM CC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@]2(CCOC2)O1 ZINC001590521554 1166933610 /nfs/dbraw/zinc/93/36/10/1166933610.db2.gz BMEQTJMYOBJLJA-IINYFYTJSA-N -1 1 317.353 0.431 20 0 DCADMM CCCC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590534186 1166937189 /nfs/dbraw/zinc/93/71/89/1166937189.db2.gz OVICTCAMNTWJAG-UHFFFAOYSA-N -1 1 304.358 0.351 20 0 DCADMM CCCC(=O)NCCCN(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001590537931 1166940383 /nfs/dbraw/zinc/94/03/83/1166940383.db2.gz FVLBFFMHMRRHAG-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCC(=O)NCCCN(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001590537931 1166940384 /nfs/dbraw/zinc/94/03/84/1166940384.db2.gz FVLBFFMHMRRHAG-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM 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/nfs/dbraw/zinc/36/00/41/1167360041.db2.gz ZNYHZXMCSFPEOU-VIFPVBQESA-N -1 1 308.367 0.106 20 0 DCADMM CSC[C@H](CCO)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591696850 1167360045 /nfs/dbraw/zinc/36/00/45/1167360045.db2.gz ZNYHZXMCSFPEOU-VIFPVBQESA-N -1 1 308.367 0.106 20 0 DCADMM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC001591729301 1167363254 /nfs/dbraw/zinc/36/32/54/1167363254.db2.gz CGKNCLWEWMUPJM-MRVPVSSYSA-N -1 1 318.337 0.722 20 0 DCADMM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC001591729301 1167363258 /nfs/dbraw/zinc/36/32/58/1167363258.db2.gz CGKNCLWEWMUPJM-MRVPVSSYSA-N -1 1 318.337 0.722 20 0 DCADMM C[C@@H]1OCCO[C@@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001591753653 1167367478 /nfs/dbraw/zinc/36/74/78/1167367478.db2.gz PJISHAGLTRFIAB-KWQFWETISA-N -1 1 304.310 0.028 20 0 DCADMM C[C@@H]1OCCO[C@@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001591753653 1167367480 /nfs/dbraw/zinc/36/74/80/1167367480.db2.gz PJISHAGLTRFIAB-KWQFWETISA-N -1 1 304.310 0.028 20 0 DCADMM C[C@H]1[C@@H](O)CCCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591776201 1167374769 /nfs/dbraw/zinc/37/47/69/1167374769.db2.gz ZNBAFGIZVPSFGA-KWQFWETISA-N -1 1 303.326 0.639 20 0 DCADMM C[C@H]1[C@@H](O)CCCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591776201 1167374771 /nfs/dbraw/zinc/37/47/71/1167374771.db2.gz ZNBAFGIZVPSFGA-KWQFWETISA-N -1 1 303.326 0.639 20 0 DCADMM Cc1c(-c2cc(Cn3cnc(-c4nn[n-]n4)n3)on2)cnn1C ZINC001591794742 1167380553 /nfs/dbraw/zinc/38/05/53/1167380553.db2.gz NDNIBNSNKVZYBN-UHFFFAOYSA-N -1 1 312.297 0.203 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cnn3ccncc23)nn1C ZINC001591797845 1167383448 /nfs/dbraw/zinc/38/34/48/1167383448.db2.gz XQVGNTNLXKGBJF-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cnn3ccncc23)nn1C ZINC001591797845 1167383454 /nfs/dbraw/zinc/38/34/54/1167383454.db2.gz XQVGNTNLXKGBJF-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CC3(CCC3)C(=O)O2)c1 ZINC001591836613 1167390986 /nfs/dbraw/zinc/39/09/86/1167390986.db2.gz DHHCMFNQACYDMR-JTQLQIEISA-N -1 1 315.333 0.823 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C(N)=O)CC[C@@H]2C)n1 ZINC001591883893 1167408863 /nfs/dbraw/zinc/40/88/63/1167408863.db2.gz LBAMVBKMWJJPDF-IUCAKERBSA-N -1 1 302.342 0.055 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C(N)=O)CC[C@@H]2C)n1 ZINC001591883893 1167408865 /nfs/dbraw/zinc/40/88/65/1167408865.db2.gz LBAMVBKMWJJPDF-IUCAKERBSA-N -1 1 302.342 0.055 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C)[S@](=O)CC2)n1 ZINC001591885291 1167410439 /nfs/dbraw/zinc/41/04/39/1167410439.db2.gz OMIMQIHDSSGYAN-JLTPVHFHSA-N -1 1 307.383 0.312 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C)[S@](=O)CC2)n1 ZINC001591885291 1167410442 /nfs/dbraw/zinc/41/04/42/1167410442.db2.gz OMIMQIHDSSGYAN-JLTPVHFHSA-N -1 1 307.383 0.312 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](C(C)(C)O)C2)n1 ZINC001591889303 1167410537 /nfs/dbraw/zinc/41/05/37/1167410537.db2.gz PHVGEUQSVCUSBO-SNVBAGLBSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](C(C)(C)O)C2)n1 ZINC001591889303 1167410540 /nfs/dbraw/zinc/41/05/40/1167410540.db2.gz PHVGEUQSVCUSBO-SNVBAGLBSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN([S@@](C)(=N)=O)CC2)c1 ZINC001591887334 1167411277 /nfs/dbraw/zinc/41/12/77/1167411277.db2.gz DSTIVYWVVKKWDC-JOCHJYFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN([S@@](C)(=N)=O)CC2)c1 ZINC001591887334 1167411281 /nfs/dbraw/zinc/41/12/81/1167411281.db2.gz DSTIVYWVVKKWDC-JOCHJYFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(F)(F)[C@H](CO)C2)n1 ZINC001591886269 1167411945 /nfs/dbraw/zinc/41/19/45/1167411945.db2.gz QTMYUHMNIRYEKX-QMMMGPOBSA-N -1 1 311.296 0.419 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(F)(F)[C@H](CO)C2)n1 ZINC001591886269 1167411949 /nfs/dbraw/zinc/41/19/49/1167411949.db2.gz QTMYUHMNIRYEKX-QMMMGPOBSA-N -1 1 311.296 0.419 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)NC(=O)C(C)C)n1 ZINC001591900550 1167416666 /nfs/dbraw/zinc/41/66/66/1167416666.db2.gz ZBUHVUYNVCNFJY-VIFPVBQESA-N -1 1 304.358 0.538 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)NC(=O)C(C)C)n1 ZINC001591900550 1167416672 /nfs/dbraw/zinc/41/66/72/1167416672.db2.gz ZBUHVUYNVCNFJY-VIFPVBQESA-N -1 1 304.358 0.538 20 0 DCADMM Cc1cc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)n(C)n1 ZINC001592027533 1167439163 /nfs/dbraw/zinc/43/91/63/1167439163.db2.gz TZKCKMKKQIZRFK-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1cc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)n(C)n1 ZINC001592027533 1167439165 /nfs/dbraw/zinc/43/91/65/1167439165.db2.gz TZKCKMKKQIZRFK-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1cc(NCC2(CO)CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001592043000 1167444902 /nfs/dbraw/zinc/44/49/02/1167444902.db2.gz USXHONCVOLSPBY-UHFFFAOYSA-N -1 1 304.354 0.771 20 0 DCADMM Cc1cc(NCC2(CO)CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001592043000 1167444909 /nfs/dbraw/zinc/44/49/09/1167444909.db2.gz USXHONCVOLSPBY-UHFFFAOYSA-N -1 1 304.354 0.771 20 0 DCADMM Cc1cc(SCc2nc(=O)n(C)[n-]2)ccc1-c1nn[nH]n1 ZINC001592068135 1167449324 /nfs/dbraw/zinc/44/93/24/1167449324.db2.gz RXIBOEHWWPVUKB-UHFFFAOYSA-N -1 1 303.351 0.889 20 0 DCADMM Cc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(C2CC2)n1 ZINC001592132567 1167462559 /nfs/dbraw/zinc/46/25/59/1167462559.db2.gz RTXNELDQHGEELH-UHFFFAOYSA-N -1 1 310.321 0.915 20 0 DCADMM Cc1ccc(N[C@@H](CO)C[C@@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001592183610 1167471483 /nfs/dbraw/zinc/47/14/83/1167471483.db2.gz GPNLRWBPHAWPLS-MNOVXSKESA-N -1 1 304.354 0.912 20 0 DCADMM Cc1ccc(N[C@@H](CO)C[C@@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592183610 1167471488 /nfs/dbraw/zinc/47/14/88/1167471488.db2.gz GPNLRWBPHAWPLS-MNOVXSKESA-N -1 1 304.354 0.912 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)CC(=O)OC(C)(C)C)n1 ZINC001592338901 1167493826 /nfs/dbraw/zinc/49/38/26/1167493826.db2.gz RSDQNPVVPXPWQI-UHFFFAOYSA-N -1 1 305.342 0.743 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)CC(=O)OC(C)(C)C)n1 ZINC001592338901 1167493828 /nfs/dbraw/zinc/49/38/28/1167493828.db2.gz RSDQNPVVPXPWQI-UHFFFAOYSA-N -1 1 305.342 0.743 20 0 DCADMM Cc1nc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c(C)o1 ZINC001592349125 1167500925 /nfs/dbraw/zinc/50/09/25/1167500925.db2.gz DGHHEXMCTVJFRM-UHFFFAOYSA-N -1 1 305.323 0.858 20 0 DCADMM Cc1nc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c(C)o1 ZINC001592349125 1167500930 /nfs/dbraw/zinc/50/09/30/1167500930.db2.gz DGHHEXMCTVJFRM-UHFFFAOYSA-N -1 1 305.323 0.858 20 0 DCADMM Cc1nc(C(C)(C)NC(=O)c2ccc(-c3nnn[n-]3)o2)no1 ZINC001592352958 1167503069 /nfs/dbraw/zinc/50/30/69/1167503069.db2.gz ZQOYBITULQHLBY-UHFFFAOYSA-N -1 1 303.282 0.816 20 0 DCADMM Cc1nc(C(C)(C)NC(=O)c2ccc(-c3nn[n-]n3)o2)no1 ZINC001592352958 1167503073 /nfs/dbraw/zinc/50/30/73/1167503073.db2.gz ZQOYBITULQHLBY-UHFFFAOYSA-N -1 1 303.282 0.816 20 0 DCADMM Cc1nc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)sc1C ZINC001592376652 1167506781 /nfs/dbraw/zinc/50/67/81/1167506781.db2.gz HQLVWZQLXPQJKP-LURJTMIESA-N -1 1 319.354 0.731 20 0 DCADMM Cc1nc(NCc2nnc(C(C)C)[nH]2)cc(-c2nn[n-]n2)n1 ZINC001592393709 1167512461 /nfs/dbraw/zinc/51/24/61/1167512461.db2.gz HWZVKQQTZYZVRO-UHFFFAOYSA-N -1 1 300.330 0.819 20 0 DCADMM Cc1nccnc1Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001592420140 1167516476 /nfs/dbraw/zinc/51/64/76/1167516476.db2.gz RSLRINAWCKLKCE-UHFFFAOYSA-N -1 1 309.333 0.664 20 0 DCADMM Cc1nccc(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592416812 1167517853 /nfs/dbraw/zinc/51/78/53/1167517853.db2.gz WXNNCWVZQIMLPR-UHFFFAOYSA-N -1 1 311.305 0.646 20 0 DCADMM Cc1nccc(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592416812 1167517859 /nfs/dbraw/zinc/51/78/59/1167517859.db2.gz WXNNCWVZQIMLPR-UHFFFAOYSA-N -1 1 311.305 0.646 20 0 DCADMM Cc1nccnc1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592419586 1167518086 /nfs/dbraw/zinc/51/80/86/1167518086.db2.gz MXMXQZLSCUGXOC-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1nccnc1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592419586 1167518091 /nfs/dbraw/zinc/51/80/91/1167518091.db2.gz MXMXQZLSCUGXOC-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCO[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592433545 1167519755 /nfs/dbraw/zinc/51/97/55/1167519755.db2.gz FFVRVGLBPLZDCO-VXNVDRBHSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592433545 1167519759 /nfs/dbraw/zinc/51/97/59/1167519759.db2.gz FFVRVGLBPLZDCO-VXNVDRBHSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1noc(CCC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)n1 ZINC001592461715 1167530129 /nfs/dbraw/zinc/53/01/29/1167530129.db2.gz ORZROCXHUVNHQH-UHFFFAOYSA-N -1 1 303.286 0.161 20 0 DCADMM Cc1noc(C(C)(C)NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001592455843 1167530628 /nfs/dbraw/zinc/53/06/28/1167530628.db2.gz XRLJDCUKZGUQML-UHFFFAOYSA-N -1 1 303.282 0.816 20 0 DCADMM Cc1noc(C(C)(C)NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001592455843 1167530634 /nfs/dbraw/zinc/53/06/34/1167530634.db2.gz XRLJDCUKZGUQML-UHFFFAOYSA-N -1 1 303.282 0.816 20 0 DCADMM Cc1nsc(N2CC3(C2)CN(C)C(=O)O3)c1-c1nn[n-]n1 ZINC001592471858 1167531271 /nfs/dbraw/zinc/53/12/71/1167531271.db2.gz IMUJLPHYISVGIE-UHFFFAOYSA-N -1 1 307.339 0.272 20 0 DCADMM Cc1nsc(N2C[C@H](CO)[C@H](CCO)C2)c1-c1nn[n-]n1 ZINC001592471853 1167532450 /nfs/dbraw/zinc/53/24/50/1167532450.db2.gz IGFGRUCYNRDSHZ-RKDXNWHRSA-N -1 1 310.383 0.059 20 0 DCADMM Cc1nsc(N2CC[C@@H](C(=O)N(C)C)C2)c1-c1nn[n-]n1 ZINC001592473059 1167533188 /nfs/dbraw/zinc/53/31/88/1167533188.db2.gz JGVBDVBNJLMZTE-MRVPVSSYSA-N -1 1 307.383 0.546 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](CO)C(C)C)c1-c1nnn[n-]1 ZINC001592484033 1167536848 /nfs/dbraw/zinc/53/68/48/1167536848.db2.gz XLSPNYHCZZTRRF-ZETCQYMHSA-N -1 1 311.371 0.770 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](CO)C(C)C)c1-c1nn[n-]n1 ZINC001592484033 1167536854 /nfs/dbraw/zinc/53/68/54/1167536854.db2.gz XLSPNYHCZZTRRF-ZETCQYMHSA-N -1 1 311.371 0.770 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)CN1CCOCC1 ZINC001592500108 1167542529 /nfs/dbraw/zinc/54/25/29/1167542529.db2.gz UIZZQSLXXDIVAN-VIFPVBQESA-N -1 1 320.353 0.219 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)CN1CCOCC1 ZINC001592500108 1167542534 /nfs/dbraw/zinc/54/25/34/1167542534.db2.gz UIZZQSLXXDIVAN-VIFPVBQESA-N -1 1 320.353 0.219 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCC1(O)CCOCC1 ZINC001592503438 1167543787 /nfs/dbraw/zinc/54/37/87/1167543787.db2.gz USVCOYVPHZIPKA-UHFFFAOYSA-N -1 1 321.337 0.430 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCC1(O)CCOCC1 ZINC001592503438 1167543797 /nfs/dbraw/zinc/54/37/97/1167543797.db2.gz USVCOYVPHZIPKA-UHFFFAOYSA-N -1 1 321.337 0.430 20 0 DCADMM Cc1oncc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592517423 1167546683 /nfs/dbraw/zinc/54/66/83/1167546683.db2.gz NQBPCJHWCTVPLT-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1oncc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592517423 1167546686 /nfs/dbraw/zinc/54/66/86/1167546686.db2.gz NQBPCJHWCTVPLT-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCOC[C@H]2C)c1-c1nnn[n-]1 ZINC001592517839 1167547016 /nfs/dbraw/zinc/54/70/16/1167547016.db2.gz UASFPJFKKTXCKP-VXNVDRBHSA-N -1 1 306.326 0.247 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCOC[C@H]2C)c1-c1nn[n-]n1 ZINC001592517839 1167547021 /nfs/dbraw/zinc/54/70/21/1167547021.db2.gz UASFPJFKKTXCKP-VXNVDRBHSA-N -1 1 306.326 0.247 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H]2CCO)c1-c1nnn[n-]1 ZINC001592516088 1167547575 /nfs/dbraw/zinc/54/75/75/1167547575.db2.gz RDBZTNZLGJTIQM-VIFPVBQESA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H]2CCO)c1-c1nn[n-]n1 ZINC001592516088 1167547580 /nfs/dbraw/zinc/54/75/80/1167547580.db2.gz RDBZTNZLGJTIQM-VIFPVBQESA-N -1 1 306.326 0.079 20 0 DCADMM Clc1nsc(N2CCn3nncc3C2)c1-c1nnn[n-]1 ZINC001592538589 1167549269 /nfs/dbraw/zinc/54/92/69/1167549269.db2.gz YPJLUOLDJHFUER-UHFFFAOYSA-N -1 1 309.746 0.588 20 0 DCADMM Clc1nsc(N2CCn3nncc3C2)c1-c1nn[n-]n1 ZINC001592538589 1167549273 /nfs/dbraw/zinc/54/92/73/1167549273.db2.gz YPJLUOLDJHFUER-UHFFFAOYSA-N -1 1 309.746 0.588 20 0 DCADMM Cn1c(=O)[nH]c(NCCCCC2CC2)c(-c2nn[n-]n2)c1=O ZINC001592546286 1167552551 /nfs/dbraw/zinc/55/25/51/1167552551.db2.gz LXSUVKZEGNTJHH-UHFFFAOYSA-N -1 1 305.342 0.658 20 0 DCADMM CN1C(=O)N=CC1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001592550235 1167555701 /nfs/dbraw/zinc/55/57/01/1167555701.db2.gz YHCAFIJOMZJCSJ-UHFFFAOYSA-N -1 1 301.266 0.030 20 0 DCADMM Cn1c(C=O)ccc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592554645 1167557926 /nfs/dbraw/zinc/55/79/26/1167557926.db2.gz DDIGTXQBYQHXOO-UHFFFAOYSA-N -1 1 311.305 0.343 20 0 DCADMM Cn1c(C=O)ccc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592554645 1167557929 /nfs/dbraw/zinc/55/79/29/1167557929.db2.gz DDIGTXQBYQHXOO-UHFFFAOYSA-N -1 1 311.305 0.343 20 0 DCADMM Cn1c(Cn2cncc(-c3nn[n-]n3)c2=O)nc2ccccc21 ZINC001592554238 1167558702 /nfs/dbraw/zinc/55/87/02/1167558702.db2.gz XBFXSZBSJRKNSL-UHFFFAOYSA-N -1 1 308.305 0.358 20 0 DCADMM Cn1cc(-c2cc(Cn3cccc(-c4nn[n-]n4)c3=O)on2)cn1 ZINC001592558703 1167558834 /nfs/dbraw/zinc/55/88/34/1167558834.db2.gz TZQRFEBRKMYEMM-UHFFFAOYSA-N -1 1 324.304 0.465 20 0 DCADMM Cn1ccc(CC(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)n1 ZINC001592579448 1167567558 /nfs/dbraw/zinc/56/75/58/1167567558.db2.gz YTSCEFQEIQTKCX-UHFFFAOYSA-N -1 1 324.348 0.517 20 0 DCADMM Cn1ccc(CC(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)n1 ZINC001592579448 1167567561 /nfs/dbraw/zinc/56/75/61/1167567561.db2.gz YTSCEFQEIQTKCX-UHFFFAOYSA-N -1 1 324.348 0.517 20 0 DCADMM Cn1cnnc1CCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001592591247 1167573969 /nfs/dbraw/zinc/57/39/69/1167573969.db2.gz UQQOGIWQKLROTO-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM Cn1cnnc1CCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592591247 1167573975 /nfs/dbraw/zinc/57/39/75/1167573975.db2.gz UQQOGIWQKLROTO-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592591092 1167574106 /nfs/dbraw/zinc/57/41/06/1167574106.db2.gz LHFTVHLXUXAFFJ-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592591092 1167574112 /nfs/dbraw/zinc/57/41/12/1167574112.db2.gz LHFTVHLXUXAFFJ-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1ncc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1N ZINC001592600395 1167579320 /nfs/dbraw/zinc/57/93/20/1167579320.db2.gz YARJSTUWCKCNLM-UHFFFAOYSA-N -1 1 304.339 0.174 20 0 DCADMM Cn1nccc1C1=CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592607391 1167581600 /nfs/dbraw/zinc/58/16/00/1167581600.db2.gz ZQXOISJSRKIOBP-UHFFFAOYSA-N -1 1 309.337 0.684 20 0 DCADMM Cn1ncnc1CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592606933 1167582162 /nfs/dbraw/zinc/58/21/62/1167582162.db2.gz MVLUSBPFEMNYMT-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM Cn1ncnc1CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592606933 1167582169 /nfs/dbraw/zinc/58/21/69/1167582169.db2.gz MVLUSBPFEMNYMT-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM FC(F)CN1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001592624875 1167586159 /nfs/dbraw/zinc/58/61/59/1167586159.db2.gz OUTRGLNXTHSLJK-MRVPVSSYSA-N -1 1 310.312 0.798 20 0 DCADMM FC(F)CN1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001592624875 1167586163 /nfs/dbraw/zinc/58/61/63/1167586163.db2.gz OUTRGLNXTHSLJK-MRVPVSSYSA-N -1 1 310.312 0.798 20 0 DCADMM Cn1nnnc1CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592613541 1167587448 /nfs/dbraw/zinc/58/74/48/1167587448.db2.gz YBQLNXYGGGGUCF-UHFFFAOYSA-N -1 1 320.748 0.483 20 0 DCADMM Cn1nnnc1CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592613541 1167587452 /nfs/dbraw/zinc/58/74/52/1167587452.db2.gz YBQLNXYGGGGUCF-UHFFFAOYSA-N -1 1 320.748 0.483 20 0 DCADMM NC(=O)[C@@H](C1CC1)N(CC1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001592714433 1167609717 /nfs/dbraw/zinc/60/97/17/1167609717.db2.gz OULNDDIFMFCOFY-CYBMUJFWSA-N -1 1 313.365 0.742 20 0 DCADMM NC(=O)[C@@H](C1CC1)N(CC1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001592714433 1167609722 /nfs/dbraw/zinc/60/97/22/1167609722.db2.gz OULNDDIFMFCOFY-CYBMUJFWSA-N -1 1 313.365 0.742 20 0 DCADMM NC(=O)C12CCC(CC1)N2C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592719286 1167611878 /nfs/dbraw/zinc/61/18/78/1167611878.db2.gz WMSRFYXYRYNJBT-UHFFFAOYSA-N -1 1 318.362 0.551 20 0 DCADMM NC(=O)CCCCNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592727469 1167618269 /nfs/dbraw/zinc/61/82/69/1167618269.db2.gz VEOGOKUNMYTMEV-UHFFFAOYSA-N -1 1 324.291 0.530 20 0 DCADMM NC(=O)CCCCNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592727469 1167618273 /nfs/dbraw/zinc/61/82/73/1167618273.db2.gz VEOGOKUNMYTMEV-UHFFFAOYSA-N -1 1 324.291 0.530 20 0 DCADMM NC(=O)Cc1ccc(NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001592731017 1167619211 /nfs/dbraw/zinc/61/92/11/1167619211.db2.gz ZIGQEPYJWFXMSH-UHFFFAOYSA-N -1 1 315.362 0.963 20 0 DCADMM NC(=O)Cc1ccc(NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001592731017 1167619217 /nfs/dbraw/zinc/61/92/17/1167619217.db2.gz ZIGQEPYJWFXMSH-UHFFFAOYSA-N -1 1 315.362 0.963 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(=O)c2ccccc2o1 ZINC001592753450 1167630746 /nfs/dbraw/zinc/63/07/46/1167630746.db2.gz RQQORBOKWAKYTC-UHFFFAOYSA-N -1 1 323.272 0.440 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCOC1CCOCC1 ZINC001592753600 1167632368 /nfs/dbraw/zinc/63/23/68/1167632368.db2.gz XUZMZLUBVASSOI-UHFFFAOYSA-N -1 1 321.341 0.261 20 0 DCADMM O=C(C=Cc1ccncn1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592802548 1167645679 /nfs/dbraw/zinc/64/56/79/1167645679.db2.gz VUESEHXQNBQZLH-ARJAWSKDSA-N -1 1 323.320 0.909 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)o1)NCc1ccco1 ZINC001592870912 1167653125 /nfs/dbraw/zinc/65/31/25/1167653125.db2.gz QZVRQWKPGFQEEA-UHFFFAOYSA-N -1 1 316.277 0.099 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)o1)NCc1ccco1 ZINC001592870912 1167653132 /nfs/dbraw/zinc/65/31/32/1167653132.db2.gz QZVRQWKPGFQEEA-UHFFFAOYSA-N -1 1 316.277 0.099 20 0 DCADMM O=C(CNc1snc(Cl)c1-c1nnn[n-]1)NCC(F)F ZINC001592878653 1167655531 /nfs/dbraw/zinc/65/55/31/1167655531.db2.gz MXYIKOQJFMLNOG-UHFFFAOYSA-N -1 1 323.716 0.770 20 0 DCADMM O=C(CNc1snc(Cl)c1-c1nn[n-]n1)NCC(F)F ZINC001592878653 1167655532 /nfs/dbraw/zinc/65/55/32/1167655532.db2.gz MXYIKOQJFMLNOG-UHFFFAOYSA-N -1 1 323.716 0.770 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1cn[nH]c1 ZINC001592913718 1167664041 /nfs/dbraw/zinc/66/40/41/1167664041.db2.gz OPPVFNOIOZXQBU-ZDUSSCGKSA-N -1 1 324.348 0.891 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1cn[nH]c1 ZINC001592913718 1167664046 /nfs/dbraw/zinc/66/40/46/1167664046.db2.gz OPPVFNOIOZXQBU-ZDUSSCGKSA-N -1 1 324.348 0.891 20 0 DCADMM O=C(Cc1ccccc1)NCCNc1nccnc1-c1nnn[n-]1 ZINC001592923668 1167664837 /nfs/dbraw/zinc/66/48/37/1167664837.db2.gz HYWIJAXYYCOEGI-UHFFFAOYSA-N -1 1 324.348 0.428 20 0 DCADMM O=C(Cc1ccccc1)NCCNc1nccnc1-c1nn[n-]n1 ZINC001592923668 1167664846 /nfs/dbraw/zinc/66/48/46/1167664846.db2.gz HYWIJAXYYCOEGI-UHFFFAOYSA-N -1 1 324.348 0.428 20 0 DCADMM O=C(Cc1ccon1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592927733 1167667856 /nfs/dbraw/zinc/66/78/56/1167667856.db2.gz DUWUHTHINIXGOV-UHFFFAOYSA-N -1 1 311.305 0.772 20 0 DCADMM O=C(Cc1ccon1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592927733 1167667857 /nfs/dbraw/zinc/66/78/57/1167667857.db2.gz DUWUHTHINIXGOV-UHFFFAOYSA-N -1 1 311.305 0.772 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CC1CC1)C1CCC1 ZINC001592940451 1167670303 /nfs/dbraw/zinc/67/03/03/1167670303.db2.gz IAKPHMKKEVXDOM-UHFFFAOYSA-N -1 1 302.342 0.249 20 0 DCADMM O=C(N[C@@H](CCO)c1ccco1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592949518 1167672266 /nfs/dbraw/zinc/67/22/66/1167672266.db2.gz CYVKGHYDHNKYQT-JTQLQIEISA-N -1 1 314.305 0.708 20 0 DCADMM O=C(N[C@@H](CCO)c1ccco1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592949518 1167672274 /nfs/dbraw/zinc/67/22/74/1167672274.db2.gz CYVKGHYDHNKYQT-JTQLQIEISA-N -1 1 314.305 0.708 20 0 DCADMM O=C(N[C@H](CO)c1ncc[nH]1)c1csc(-c2nn[n-]n2)c1 ZINC001592954449 1167674146 /nfs/dbraw/zinc/67/41/46/1167674146.db2.gz NWJJEXHWZQXEIN-SSDOTTSWSA-N -1 1 305.323 0.115 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1coc(-c2nnn[n-]2)c1 ZINC001593003868 1167684502 /nfs/dbraw/zinc/68/45/02/1167684502.db2.gz ISJOIYUXSOVKIW-WCQYABFASA-N -1 1 311.301 0.848 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1coc(-c2nn[n-]n2)c1 ZINC001593003868 1167684507 /nfs/dbraw/zinc/68/45/07/1167684507.db2.gz ISJOIYUXSOVKIW-WCQYABFASA-N -1 1 311.301 0.848 20 0 DCADMM O=C(NC[C@H](O)c1ccsc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593014029 1167689241 /nfs/dbraw/zinc/68/92/41/1167689241.db2.gz SSBSXSRKWPOAAX-NSHDSACASA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@H](O)c1ccsc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593014029 1167689246 /nfs/dbraw/zinc/68/92/46/1167689246.db2.gz SSBSXSRKWPOAAX-NSHDSACASA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@@H]1CC[C@@H](C2CC2)O1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593030022 1167690685 /nfs/dbraw/zinc/69/06/85/1167690685.db2.gz KOZAJEBTBIREIZ-AAEUAGOBSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@@H]1CC[C@@H](C2CC2)O1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593030022 1167690687 /nfs/dbraw/zinc/69/06/87/1167690687.db2.gz KOZAJEBTBIREIZ-AAEUAGOBSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NCC1OCCCO1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593046899 1167693357 /nfs/dbraw/zinc/69/33/57/1167693357.db2.gz AEWFRNUHRXYRPG-UHFFFAOYSA-N -1 1 305.298 0.146 20 0 DCADMM O=C(NCC1OCCCO1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593046899 1167693360 /nfs/dbraw/zinc/69/33/60/1167693360.db2.gz AEWFRNUHRXYRPG-UHFFFAOYSA-N -1 1 305.298 0.146 20 0 DCADMM O=C(NCCO[C@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593093794 1167706704 /nfs/dbraw/zinc/70/67/04/1167706704.db2.gz CRKQEFABRAUGKS-VIFPVBQESA-N -1 1 310.264 0.416 20 0 DCADMM O=C(NCCO[C@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593093794 1167706712 /nfs/dbraw/zinc/70/67/12/1167706712.db2.gz CRKQEFABRAUGKS-VIFPVBQESA-N -1 1 310.264 0.416 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCC[C@@H](F)C1 ZINC001593110277 1167712620 /nfs/dbraw/zinc/71/26/20/1167712620.db2.gz VFGQFJRECPHNQD-RKDXNWHRSA-N -1 1 308.321 0.103 20 0 DCADMM O=C(NC[C@H](O)Cc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593114316 1167716356 /nfs/dbraw/zinc/71/63/56/1167716356.db2.gz JGUORVMUNUSEGR-CYBMUJFWSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(NC[C@H](O)Cc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593114316 1167716363 /nfs/dbraw/zinc/71/63/63/1167716363.db2.gz JGUORVMUNUSEGR-CYBMUJFWSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cn(C2CC2)nn1 ZINC001593137225 1167719781 /nfs/dbraw/zinc/71/97/81/1167719781.db2.gz RJYGMBJGNNQRFM-UHFFFAOYSA-N -1 1 316.350 0.785 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cn2cccnc2n1 ZINC001593146216 1167723878 /nfs/dbraw/zinc/72/38/78/1167723878.db2.gz JOMNDFTZTWSVKZ-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cn2cccnc2n1 ZINC001593146216 1167723887 /nfs/dbraw/zinc/72/38/87/1167723887.db2.gz JOMNDFTZTWSVKZ-UHFFFAOYSA-N -1 1 321.304 0.234 20 0 DCADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O)c(N)c2)cc1 ZINC000021801870 1167731489 /nfs/dbraw/zinc/73/14/89/1167731489.db2.gz ZDNBSJMXMZVVJX-UHFFFAOYSA-N -1 1 307.331 0.874 20 0 DCADMM O=C(Nc1ccc2nncn2c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593238580 1167741762 /nfs/dbraw/zinc/74/17/62/1167741762.db2.gz DDRNBBMOBDYCDT-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1ccc2nncn2c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593238580 1167741772 /nfs/dbraw/zinc/74/17/72/1167741772.db2.gz DDRNBBMOBDYCDT-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1CC12CC(O)C2 ZINC001593255797 1167745626 /nfs/dbraw/zinc/74/56/26/1167745626.db2.gz KWNITRPXWBHVQA-SLYADPJGSA-N -1 1 301.310 0.297 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1CC12CC(O)C2 ZINC001593255797 1167745634 /nfs/dbraw/zinc/74/56/34/1167745634.db2.gz KWNITRPXWBHVQA-SLYADPJGSA-N -1 1 301.310 0.297 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001593267799 1167749023 /nfs/dbraw/zinc/74/90/23/1167749023.db2.gz JVLFEARCYHVBDI-XVMARJQXSA-N -1 1 304.335 0.877 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001593267799 1167749030 /nfs/dbraw/zinc/74/90/30/1167749030.db2.gz JVLFEARCYHVBDI-XVMARJQXSA-N -1 1 304.335 0.877 20 0 DCADMM O=C(Nn1nnc2c1CCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593276816 1167751362 /nfs/dbraw/zinc/75/13/62/1167751362.db2.gz UFCPXARCZYJYMC-UHFFFAOYSA-N -1 1 300.282 0.314 20 0 DCADMM O=C(Nn1nnc2c1CCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593276816 1167751368 /nfs/dbraw/zinc/75/13/68/1167751368.db2.gz UFCPXARCZYJYMC-UHFFFAOYSA-N -1 1 300.282 0.314 20 0 DCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@@]12CCOC2 ZINC001593301790 1167767102 /nfs/dbraw/zinc/76/71/02/1167767102.db2.gz FKGNXLGBDBDOBH-QMTHXVAHSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@@]12CCOC2 ZINC001593301790 1167767105 /nfs/dbraw/zinc/76/71/05/1167767105.db2.gz FKGNXLGBDBDOBH-QMTHXVAHSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCO[C@H]2C[C@H]21 ZINC001593335019 1167777220 /nfs/dbraw/zinc/77/72/20/1167777220.db2.gz GHXMOKDDLGBPCP-BDAKNGLRSA-N -1 1 306.713 0.528 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](c2ncon2)C1 ZINC001593337153 1167779639 /nfs/dbraw/zinc/77/96/39/1167779639.db2.gz RYDGSVYLDMSPDJ-SECBINFHSA-N -1 1 312.293 0.274 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](c2ncon2)C1 ZINC001593337153 1167779643 /nfs/dbraw/zinc/77/96/43/1167779643.db2.gz RYDGSVYLDMSPDJ-SECBINFHSA-N -1 1 312.293 0.274 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@H](c2ncon2)C1 ZINC001593339500 1167780648 /nfs/dbraw/zinc/78/06/48/1167780648.db2.gz SPJZLSHZQALHCB-VIFPVBQESA-N -1 1 317.265 0.056 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@H](c2ncon2)C1 ZINC001593339500 1167780657 /nfs/dbraw/zinc/78/06/57/1167780657.db2.gz SPJZLSHZQALHCB-VIFPVBQESA-N -1 1 317.265 0.056 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@](O)(C2CC2)C1 ZINC001593340267 1167780999 /nfs/dbraw/zinc/78/09/99/1167780999.db2.gz ILMUYHYHIJIGPZ-AWEZNQCLSA-N -1 1 303.322 0.837 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@](O)(C2CC2)C1 ZINC001593340267 1167781004 /nfs/dbraw/zinc/78/10/04/1167781004.db2.gz ILMUYHYHIJIGPZ-AWEZNQCLSA-N -1 1 303.322 0.837 20 0 DCADMM O=C(OC[C@H]1CCNC(=O)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593390583 1167801053 /nfs/dbraw/zinc/80/10/53/1167801053.db2.gz MZDKUJWMWNGPFK-SECBINFHSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(OC[C@H]1CCNC(=O)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593390583 1167801065 /nfs/dbraw/zinc/80/10/65/1167801065.db2.gz MZDKUJWMWNGPFK-SECBINFHSA-N -1 1 316.321 0.335 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC=C(F)C1 ZINC001593452093 1167844857 /nfs/dbraw/zinc/84/48/57/1167844857.db2.gz OZBMHIHKTYOQTC-UHFFFAOYSA-N -1 1 310.314 0.510 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC=C(F)C1 ZINC001593452093 1167844865 /nfs/dbraw/zinc/84/48/65/1167844865.db2.gz OZBMHIHKTYOQTC-UHFFFAOYSA-N -1 1 310.314 0.510 20 0 DCADMM O=S1(=O)CCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001593462670 1167848512 /nfs/dbraw/zinc/84/85/12/1167848512.db2.gz CSCKQCDZKRINRH-MRVPVSSYSA-N -1 1 309.355 0.036 20 0 DCADMM O=S1(=O)CCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001593462670 1167848520 /nfs/dbraw/zinc/84/85/20/1167848520.db2.gz CSCKQCDZKRINRH-MRVPVSSYSA-N -1 1 309.355 0.036 20 0 DCADMM O=c1[nH]c(CNc2cnc(-c3nnn[n-]3)cn2)nc2ccccc21 ZINC001593488740 1167873061 /nfs/dbraw/zinc/87/30/61/1167873061.db2.gz RZASQUMRLDXOGA-UHFFFAOYSA-N -1 1 321.304 0.918 20 0 DCADMM O=c1[nH]c(CNc2cnc(-c3nn[n-]n3)cn2)nc2ccccc21 ZINC001593488740 1167873067 /nfs/dbraw/zinc/87/30/67/1167873067.db2.gz 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/nfs/dbraw/zinc/89/59/38/1167895938.db2.gz VGUQVAGHJKXHGN-VIFPVBQESA-N -1 1 303.351 0.156 20 0 DCADMM OC[C@@]1(c2ccccc2)CCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001593522598 1167898671 /nfs/dbraw/zinc/89/86/71/1167898671.db2.gz HFRKTWIOODATJI-MRXNPFEDSA-N -1 1 323.360 0.797 20 0 DCADMM OC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1ncc[nH]1 ZINC001593524593 1167900516 /nfs/dbraw/zinc/90/05/16/1167900516.db2.gz AIVXDEBGDWWKOD-SCSAIBSYSA-N -1 1 312.746 0.845 20 0 DCADMM OC[C@]1(c2ccccc2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001593523532 1167900921 /nfs/dbraw/zinc/90/09/21/1167900921.db2.gz OZHJPYGFDWZGLD-INIZCTEOSA-N -1 1 323.360 0.797 20 0 DCADMM OC[C@]1(c2ccccc2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001593523532 1167900924 /nfs/dbraw/zinc/90/09/24/1167900924.db2.gz OZHJPYGFDWZGLD-INIZCTEOSA-N -1 1 323.360 0.797 20 0 DCADMM c1ncn2c1CN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)CC2 ZINC001593543236 1167921219 /nfs/dbraw/zinc/92/12/19/1167921219.db2.gz HGNQMMZLXZCREE-UHFFFAOYSA-N -1 1 309.337 0.751 20 0 DCADMM c1ncn2c1CN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)CC2 ZINC001593543236 1167921230 /nfs/dbraw/zinc/92/12/30/1167921230.db2.gz HGNQMMZLXZCREE-UHFFFAOYSA-N -1 1 309.337 0.751 20 0 DCADMM c1cc([C@@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)CCO2)ccn1 ZINC001593550993 1167932224 /nfs/dbraw/zinc/93/22/24/1167932224.db2.gz BEUSMDSVVFDAGB-RYUDHWBXSA-N -1 1 324.348 0.806 20 0 DCADMM c1cc(N[C@@H](C2CCC2)[C@@H]2CCOC2)nc(-c2nn[n-]n2)n1 ZINC001593558138 1167936735 /nfs/dbraw/zinc/93/67/35/1167936735.db2.gz JWBGFOCKFSVUCP-PWSUYJOCSA-N -1 1 301.354 0.696 20 0 DCADMM c1ccc(-c2n[nH]c(CNc3cncc(-c4nnn[n-]4)n3)n2)nc1 ZINC001593567323 1167946142 /nfs/dbraw/zinc/94/61/42/1167946142.db2.gz HVCFNCGFTGPGHV-UHFFFAOYSA-N -1 1 321.308 0.449 20 0 DCADMM c1ccc(-c2n[nH]c(CNc3cncc(-c4nn[n-]n4)n3)n2)nc1 ZINC001593567323 1167946147 /nfs/dbraw/zinc/94/61/47/1167946147.db2.gz HVCFNCGFTGPGHV-UHFFFAOYSA-N -1 1 321.308 0.449 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N2CCO[C@]3(CCCOC3)C2)c1 ZINC001593583260 1167950719 /nfs/dbraw/zinc/95/07/19/1167950719.db2.gz UJKIQRXJZVNZQL-CQSZACIVSA-N -1 1 302.338 0.648 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N2CCO[C@]3(CCCOC3)C2)c1 ZINC001593583260 1167950721 /nfs/dbraw/zinc/95/07/21/1167950721.db2.gz UJKIQRXJZVNZQL-CQSZACIVSA-N -1 1 302.338 0.648 20 0 DCADMM c1cn2ncc(-c3nn[n-]n3)c2n1CCOC[C@H]1CCCO1 ZINC001593593623 1167957514 /nfs/dbraw/zinc/95/75/14/1167957514.db2.gz RCSACGXAWVGRKH-SNVBAGLBSA-N -1 1 303.326 0.512 20 0 DCADMM c1ncc(-c2nnn[n-]2)nc1NCCCOC[C@H]1CCCO1 ZINC001593595479 1167958916 /nfs/dbraw/zinc/95/89/16/1167958916.db2.gz RBRXPBDNRQMLBR-SNVBAGLBSA-N -1 1 305.342 0.654 20 0 DCADMM c1ncc(-c2nn[n-]n2)nc1NCCCOC[C@H]1CCCO1 ZINC001593595479 1167958918 /nfs/dbraw/zinc/95/89/18/1167958918.db2.gz RBRXPBDNRQMLBR-SNVBAGLBSA-N -1 1 305.342 0.654 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)c1ccc(-c2cn[nH]c2)cn1 ZINC001593862689 1167962790 /nfs/dbraw/zinc/96/27/90/1167962790.db2.gz CKLOXPHAVRWCER-UHFFFAOYSA-N -1 1 310.321 0.794 20 0 DCADMM Cc1cnc(C(=O)N[C@@H](C)c2nnc3c(=O)[nH]ccn32)c([O-])c1 ZINC001595934625 1167983170 /nfs/dbraw/zinc/98/31/70/1167983170.db2.gz LOBGZHQTQGWLGR-QMMMGPOBSA-N -1 1 314.305 0.318 20 0 DCADMM Cc1nn(C)c(C)c1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001596081814 1167987084 /nfs/dbraw/zinc/98/70/84/1167987084.db2.gz WAVXHSZBKBJTMT-UHFFFAOYSA-N -1 1 301.310 0.329 20 0 DCADMM Cc1cc(CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)[nH]c1C(=O)[O-] ZINC001600196821 1168136396 /nfs/dbraw/zinc/13/63/96/1168136396.db2.gz WHCADUDLIOSGDV-ZJUUUORDSA-N -1 1 315.395 0.378 20 0 DCADMM Cc1ccc([C@@H](CNC(=O)COCC(=O)[O-])N2CCCC2)o1 ZINC001600376338 1168175665 /nfs/dbraw/zinc/17/56/65/1168175665.db2.gz TUGMKSMRTVNLDD-GFCCVEGCSA-N -1 1 310.350 0.942 20 0 DCADMM Cc1ccc([C@@H](NC(=O)CCc2nn[nH]n2)C(=O)[O-])cc1C ZINC001600383118 1168176693 /nfs/dbraw/zinc/17/66/93/1168176693.db2.gz UMDUABFBTPBWNJ-CYBMUJFWSA-N -1 1 303.322 0.691 20 0 DCADMM Cc1ccc([C@H](N)C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1 ZINC001600380897 1168177537 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20 0 DCADMM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)[C@H]1CCNC(=O)C1 ZINC001603702959 1169366272 /nfs/dbraw/zinc/36/62/72/1169366272.db2.gz MLGKJWSVMWUWFF-BDAKNGLRSA-N -1 1 316.321 0.333 20 0 DCADMM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)[C@H]1CCNC(=O)C1 ZINC001603702959 1169366281 /nfs/dbraw/zinc/36/62/81/1169366281.db2.gz MLGKJWSVMWUWFF-BDAKNGLRSA-N -1 1 316.321 0.333 20 0 DCADMM CC(C)[C@@](C)(NCC(=O)Nc1ccccc1C(=O)[O-])C(N)=O ZINC001603715807 1169368511 /nfs/dbraw/zinc/36/85/11/1169368511.db2.gz CXIKVQKVAURSDS-OAHLLOKOSA-N -1 1 307.350 0.813 20 0 DCADMM C[C@@H](c1nc(-c2ccon2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001603739630 1169374435 /nfs/dbraw/zinc/37/44/35/1169374435.db2.gz VHTNADOKJIHGDC-YFKPBYRVSA-N -1 1 300.242 0.106 20 0 DCADMM CC1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001603747109 1169376702 /nfs/dbraw/zinc/37/67/02/1169376702.db2.gz ILUDEKYHGVZSCL-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM CC1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001603747109 1169376709 /nfs/dbraw/zinc/37/67/09/1169376709.db2.gz ILUDEKYHGVZSCL-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM C[C@]1(C(F)(F)F)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001603755592 1169378712 /nfs/dbraw/zinc/37/87/12/1169378712.db2.gz SVXIHFASTDGXGL-SNVBAGLBSA-N -1 1 315.259 0.814 20 0 DCADMM C[C@]1(C(F)(F)F)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001603755592 1169378719 /nfs/dbraw/zinc/37/87/19/1169378719.db2.gz SVXIHFASTDGXGL-SNVBAGLBSA-N -1 1 315.259 0.814 20 0 DCADMM CC1(C)CC[C@H]1NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603771696 1169384799 /nfs/dbraw/zinc/38/47/99/1169384799.db2.gz DKTINMAEQQYIBV-SECBINFHSA-N -1 1 315.337 0.505 20 0 DCADMM CC1(C)CC[C@H]1NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603771696 1169384807 /nfs/dbraw/zinc/38/48/07/1169384807.db2.gz DKTINMAEQQYIBV-SECBINFHSA-N -1 1 315.337 0.505 20 0 DCADMM CC1(C)Cc2n[nH]cc2CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603793472 1169394190 /nfs/dbraw/zinc/39/41/90/1169394190.db2.gz WVXKWNPYNRQVRJ-UHFFFAOYSA-N -1 1 311.353 0.969 20 0 DCADMM C[C@@]1(CO)CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603808354 1169400383 /nfs/dbraw/zinc/40/03/83/1169400383.db2.gz NKDOYWUTJFBZMS-OAHLLOKOSA-N -1 1 316.365 0.425 20 0 DCADMM C[C@@]1(CO)CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603808354 1169400387 /nfs/dbraw/zinc/40/03/87/1169400387.db2.gz NKDOYWUTJFBZMS-OAHLLOKOSA-N -1 1 316.365 0.425 20 0 DCADMM CC1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)COC1 ZINC001603819438 1169403433 /nfs/dbraw/zinc/40/34/33/1169403433.db2.gz SRNRROUDKAFMBN-UHFFFAOYSA-N -1 1 313.314 0.073 20 0 DCADMM C[C@@H]1CC(=O)NN1C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001603843288 1169409528 /nfs/dbraw/zinc/40/95/28/1169409528.db2.gz XRZVQKNHJARPGU-SSDOTTSWSA-N -1 1 311.305 0.614 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)C(=O)O1 ZINC001603852815 1169411697 /nfs/dbraw/zinc/41/16/97/1169411697.db2.gz GTUKNYGXZUICET-IMTBSYHQSA-N -1 1 303.282 0.087 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)C(=O)O1 ZINC001603852815 1169411708 /nfs/dbraw/zinc/41/17/08/1169411708.db2.gz GTUKNYGXZUICET-IMTBSYHQSA-N -1 1 303.282 0.087 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)c2ncnn21 ZINC001603854950 1169415343 /nfs/dbraw/zinc/41/53/43/1169415343.db2.gz SYNSNYSSMQMCKT-NKWVEPMBSA-N -1 1 316.350 0.956 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)c2ncnn21 ZINC001603854950 1169415345 /nfs/dbraw/zinc/41/53/45/1169415345.db2.gz SYNSNYSSMQMCKT-NKWVEPMBSA-N -1 1 316.350 0.956 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001603865144 1169416468 /nfs/dbraw/zinc/41/64/68/1169416468.db2.gz OVLLZVJZBALEPK-BDAKNGLRSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001603865144 1169416471 /nfs/dbraw/zinc/41/64/71/1169416471.db2.gz OVLLZVJZBALEPK-BDAKNGLRSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001603865116 1169416606 /nfs/dbraw/zinc/41/66/06/1169416606.db2.gz OQABENVCPBDMQS-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001603865116 1169416611 /nfs/dbraw/zinc/41/66/11/1169416611.db2.gz OQABENVCPBDMQS-VHSXEESVSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@H](Nc2ncncc2-c2nn[n-]n2)CC1=O ZINC001603871686 1169419848 /nfs/dbraw/zinc/41/98/48/1169419848.db2.gz PUXMDTZIJHPBKF-NQMVMOMDSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2cccnc2-c2nnn[n-]2)CS1(=O)=O ZINC001603880225 1169421278 /nfs/dbraw/zinc/42/12/78/1169421278.db2.gz FSBJIEISPKLQRC-RKDXNWHRSA-N -1 1 308.367 0.639 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2cccnc2-c2nn[n-]n2)CS1(=O)=O ZINC001603880225 1169421283 /nfs/dbraw/zinc/42/12/83/1169421283.db2.gz FSBJIEISPKLQRC-RKDXNWHRSA-N -1 1 308.367 0.639 20 0 DCADMM C[C@@H]1CCC[C@]1(O)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603889226 1169423886 /nfs/dbraw/zinc/42/38/86/1169423886.db2.gz IKJSPFHUJURBPD-OTYXRUKQSA-N -1 1 302.338 0.543 20 0 DCADMM C[C@@H]1CCC[C@]1(O)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603889226 1169423896 /nfs/dbraw/zinc/42/38/96/1169423896.db2.gz IKJSPFHUJURBPD-OTYXRUKQSA-N -1 1 302.338 0.543 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@]1(C)CO ZINC001603929742 1169439123 /nfs/dbraw/zinc/43/91/23/1169439123.db2.gz BLKHEPQBCAAGAU-LKFCYVNXSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@]1(C)CO ZINC001603929742 1169439127 /nfs/dbraw/zinc/43/91/27/1169439127.db2.gz BLKHEPQBCAAGAU-LKFCYVNXSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)n2)C[C@H](C)S1(=O)=O ZINC001603935153 1169440459 /nfs/dbraw/zinc/44/04/59/1169440459.db2.gz FCVDKXRWBDHKMG-AOOOYVTPSA-N -1 1 322.394 0.269 20 0 DCADMM C[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)C[C@H](C)S1(=O)=O ZINC001603935153 1169440466 /nfs/dbraw/zinc/44/04/66/1169440466.db2.gz FCVDKXRWBDHKMG-AOOOYVTPSA-N -1 1 322.394 0.269 20 0 DCADMM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1cccc(-c2nn[n-]n2)n1 ZINC001603953828 1169447952 /nfs/dbraw/zinc/44/79/52/1169447952.db2.gz KWLRKXWKUJGPFM-IVZWLZJFSA-N -1 1 301.354 0.359 20 0 DCADMM C[C@@H]1OCC[C@@]1(O)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603953785 1169448331 /nfs/dbraw/zinc/44/83/31/1169448331.db2.gz KRSYZLZHXFSQRV-JVXZTZIISA-N -1 1 309.351 0.198 20 0 DCADMM C[C@H]1CSCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603948776 1169449304 /nfs/dbraw/zinc/44/93/04/1169449304.db2.gz VAWKIUUPFCINEG-VIFPVBQESA-N -1 1 304.379 0.768 20 0 DCADMM C[C@H]1CSCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603948776 1169449321 /nfs/dbraw/zinc/44/93/21/1169449321.db2.gz VAWKIUUPFCINEG-VIFPVBQESA-N -1 1 304.379 0.768 20 0 DCADMM CCC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001603970267 1169456898 /nfs/dbraw/zinc/45/68/98/1169456898.db2.gz SEMIPKWIPMGMLS-SNVBAGLBSA-N -1 1 318.385 0.431 20 0 DCADMM CCC(=O)[C@@H]1CCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001603975786 1169461439 /nfs/dbraw/zinc/46/14/39/1169461439.db2.gz ICATWJANMQYLII-JTQLQIEISA-N -1 1 318.337 0.676 20 0 DCADMM CCC(=O)[C@@H]1CCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001603975786 1169461442 /nfs/dbraw/zinc/46/14/42/1169461442.db2.gz ICATWJANMQYLII-JTQLQIEISA-N -1 1 318.337 0.676 20 0 DCADMM CC[C@@H](C[C@@H](C)O)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001604016988 1169472898 /nfs/dbraw/zinc/47/28/98/1169472898.db2.gz YNVWCHQZEVJDGY-BDAKNGLRSA-N -1 1 305.342 0.933 20 0 DCADMM CC[C@@H](C[C@@H](C)O)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001604016988 1169472904 /nfs/dbraw/zinc/47/29/04/1169472904.db2.gz YNVWCHQZEVJDGY-BDAKNGLRSA-N -1 1 305.342 0.933 20 0 DCADMM CC[C@@H](CO)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001604039183 1169476077 /nfs/dbraw/zinc/47/60/77/1169476077.db2.gz FGMPFJWTJRRGRC-QMMMGPOBSA-N -1 1 311.292 0.780 20 0 DCADMM CC[C@@H](CO)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001604039183 1169476083 /nfs/dbraw/zinc/47/60/83/1169476083.db2.gz FGMPFJWTJRRGRC-QMMMGPOBSA-N -1 1 311.292 0.780 20 0 DCADMM CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)[C@@H](C)O ZINC001604048365 1169478118 /nfs/dbraw/zinc/47/81/18/1169478118.db2.gz XPRMTPZWIBORLX-APPZFPTMSA-N -1 1 310.383 0.887 20 0 DCADMM CC[C@H](NC(C)=O)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001604050547 1169481172 /nfs/dbraw/zinc/48/11/72/1169481172.db2.gz KOOIOGXPBCFBQB-JTQLQIEISA-N -1 1 303.326 0.139 20 0 DCADMM CC[C@H](NC(C)=O)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001604050547 1169481183 /nfs/dbraw/zinc/48/11/83/1169481183.db2.gz KOOIOGXPBCFBQB-JTQLQIEISA-N -1 1 303.326 0.139 20 0 DCADMM CN(C)CCN(CC(=O)[O-])C(=O)c1cccc([S@](C)=O)c1 ZINC001604063993 1169484918 /nfs/dbraw/zinc/48/49/18/1169484918.db2.gz CIJCILJSCMRSDI-NRFANRHFSA-N -1 1 312.391 0.512 20 0 DCADMM CCC1(C)CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001604085028 1169488485 /nfs/dbraw/zinc/48/84/85/1169488485.db2.gz XAUJPUWPTNRVNA-UHFFFAOYSA-N -1 1 315.337 0.459 20 0 DCADMM CCC1(C)CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001604085028 1169488491 /nfs/dbraw/zinc/48/84/91/1169488491.db2.gz XAUJPUWPTNRVNA-UHFFFAOYSA-N -1 1 315.337 0.459 20 0 DCADMM CC[C@]1(O)CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001604093102 1169489996 /nfs/dbraw/zinc/48/99/96/1169489996.db2.gz SVDNRXVYOQJKEP-ZDUSSCGKSA-N -1 1 320.357 0.369 20 0 DCADMM CC[C@]1(O)CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001604093102 1169489998 /nfs/dbraw/zinc/48/99/98/1169489998.db2.gz SVDNRXVYOQJKEP-ZDUSSCGKSA-N -1 1 320.357 0.369 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(C)(C)n2cc(N)cn2)CC1 ZINC001604112779 1169495380 /nfs/dbraw/zinc/49/53/80/1169495380.db2.gz CNGKZLZECMAXQO-LLVKDONJSA-N -1 1 323.397 0.208 20 0 DCADMM CCCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001604126274 1169499650 /nfs/dbraw/zinc/49/96/50/1169499650.db2.gz IWEONQKGWSHHKD-BDAKNGLRSA-N -1 1 304.358 0.762 20 0 DCADMM CCCC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001604126274 1169499654 /nfs/dbraw/zinc/49/96/54/1169499654.db2.gz IWEONQKGWSHHKD-BDAKNGLRSA-N -1 1 304.358 0.762 20 0 DCADMM C[C@@H](C[C@H](C)Nc1ncc(C(=O)[O-])cn1)NC(=O)c1ncn[nH]1 ZINC001604124289 1169499783 /nfs/dbraw/zinc/49/97/83/1169499783.db2.gz AAZVJZVLTMGACI-YUMQZZPRSA-N -1 1 319.325 0.302 20 0 DCADMM C[C@@H](C[C@H](C)Nc1ncc(C(=O)[O-])cn1)NC(=O)c1nc[nH]n1 ZINC001604124289 1169499784 /nfs/dbraw/zinc/49/97/84/1169499784.db2.gz AAZVJZVLTMGACI-YUMQZZPRSA-N -1 1 319.325 0.302 20 0 DCADMM CCCC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001604125786 1169499930 /nfs/dbraw/zinc/49/99/30/1169499930.db2.gz CZBVMBZLUMGXNG-MGCOHNPYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001604125786 1169499934 /nfs/dbraw/zinc/49/99/34/1169499934.db2.gz CZBVMBZLUMGXNG-MGCOHNPYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001604126276 1169500515 /nfs/dbraw/zinc/50/05/15/1169500515.db2.gz IWEONQKGWSHHKD-IUCAKERBSA-N -1 1 304.358 0.762 20 0 DCADMM CCCC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001604126276 1169500523 /nfs/dbraw/zinc/50/05/23/1169500523.db2.gz IWEONQKGWSHHKD-IUCAKERBSA-N -1 1 304.358 0.762 20 0 DCADMM CCCC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001604126787 1169500781 /nfs/dbraw/zinc/50/07/81/1169500781.db2.gz UHGFNKSKERQQNG-CQSZACIVSA-N -1 1 316.369 0.542 20 0 DCADMM CCC[C@](C)(CO)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604128917 1169501695 /nfs/dbraw/zinc/50/16/95/1169501695.db2.gz SEHQGFBXIRMWIV-CYBMUJFWSA-N -1 1 305.342 0.934 20 0 DCADMM CCC[C@](C)(CO)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604128917 1169501698 /nfs/dbraw/zinc/50/16/98/1169501698.db2.gz SEHQGFBXIRMWIV-CYBMUJFWSA-N -1 1 305.342 0.934 20 0 DCADMM CCC[C@@H](C)CCNC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001604136358 1169503007 /nfs/dbraw/zinc/50/30/07/1169503007.db2.gz MBLGUPWASKMRBY-SNVBAGLBSA-N -1 1 321.389 0.584 20 0 DCADMM CCCC[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(C)=O ZINC001604164862 1169511389 /nfs/dbraw/zinc/51/13/89/1169511389.db2.gz URWLGVDJQXQFJJ-JTQLQIEISA-N -1 1 304.358 0.185 20 0 DCADMM CCCN(CC(N)=O)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001604200425 1169522452 /nfs/dbraw/zinc/52/24/52/1169522452.db2.gz KPMOHYZCSHRPRN-UHFFFAOYSA-N -1 1 324.291 0.482 20 0 DCADMM CCCN(CC(N)=O)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001604200425 1169522460 /nfs/dbraw/zinc/52/24/60/1169522460.db2.gz KPMOHYZCSHRPRN-UHFFFAOYSA-N -1 1 324.291 0.482 20 0 DCADMM CCCc1nc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)cs1 ZINC001604247676 1169532175 /nfs/dbraw/zinc/53/21/75/1169532175.db2.gz HEJHKUNFOXGCEJ-UHFFFAOYSA-N -1 1 319.350 0.586 20 0 DCADMM C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CN(C)CCN1C ZINC001604278395 1169545569 /nfs/dbraw/zinc/54/55/69/1169545569.db2.gz YVTXHWCIRBSBIZ-DOMZBBRYSA-N -1 1 319.405 0.678 20 0 DCADMM C[C@@H](NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1nnc[nH]1 ZINC001604286794 1169547941 /nfs/dbraw/zinc/54/79/41/1169547941.db2.gz OTBLWXSKVUFHIS-SFYZADRCSA-N -1 1 319.325 0.595 20 0 DCADMM CCN(CCNC(=O)C(C)(C)F)c1ccc(-c2nnn[n-]2)nn1 ZINC001604303365 1169550531 /nfs/dbraw/zinc/55/05/31/1169550531.db2.gz UZZRSBLBRQLERX-UHFFFAOYSA-N -1 1 322.348 0.347 20 0 DCADMM CCN(CCNC(=O)C(C)(C)F)c1ccc(-c2nn[n-]n2)nn1 ZINC001604303365 1169550537 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0.858 20 0 DCADMM CC[C@@](COC)(NC(=O)c1cccc2nc(CO)[nH]c21)C(=O)[O-] ZINC001605053263 1169796632 /nfs/dbraw/zinc/79/66/32/1169796632.db2.gz SWUQXYBAKWIUFU-HNNXBMFYSA-N -1 1 321.333 0.665 20 0 DCADMM COC[C@H](CNC(=O)c1cccc(F)c1-c1nnn[n-]1)OC ZINC001605057327 1169799950 /nfs/dbraw/zinc/79/99/50/1169799950.db2.gz ZQLIYKVCHRXVBF-QMMMGPOBSA-N -1 1 309.301 0.397 20 0 DCADMM COC[C@H](CNC(=O)c1cccc(F)c1-c1nn[n-]n1)OC ZINC001605057327 1169799952 /nfs/dbraw/zinc/79/99/52/1169799952.db2.gz ZQLIYKVCHRXVBF-QMMMGPOBSA-N -1 1 309.301 0.397 20 0 DCADMM COC[C@H](OC)c1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001605059373 1169800706 /nfs/dbraw/zinc/80/07/06/1169800706.db2.gz FNUMYHKJDQGQIN-VIFPVBQESA-N -1 1 303.282 0.646 20 0 DCADMM COC[C@H](OC)c1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001605059373 1169800714 /nfs/dbraw/zinc/80/07/14/1169800714.db2.gz FNUMYHKJDQGQIN-VIFPVBQESA-N -1 1 303.282 0.646 20 0 DCADMM COC[C@@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCOC1 ZINC001605065592 1169801222 /nfs/dbraw/zinc/80/12/22/1169801222.db2.gz WSAMHNUUBZQDTB-ZDUSSCGKSA-N -1 1 304.310 0.253 20 0 DCADMM COC[C@@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCOC1 ZINC001605065592 1169801232 /nfs/dbraw/zinc/80/12/32/1169801232.db2.gz WSAMHNUUBZQDTB-ZDUSSCGKSA-N -1 1 304.310 0.253 20 0 DCADMM COC[C@]1(C)CN(c2ccc(C)c(-c3nnn[n-]3)n2)CCO1 ZINC001605066397 1169802197 /nfs/dbraw/zinc/80/21/97/1169802197.db2.gz GBZDHHCLTMFIOR-AWEZNQCLSA-N -1 1 304.354 0.812 20 0 DCADMM COC[C@]1(C)CN(c2ccc(C)c(-c3nn[n-]n3)n2)CCO1 ZINC001605066397 1169802205 /nfs/dbraw/zinc/80/22/05/1169802205.db2.gz GBZDHHCLTMFIOR-AWEZNQCLSA-N -1 1 304.354 0.812 20 0 DCADMM COC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@H]1CCCO1 ZINC001605060344 1169803904 /nfs/dbraw/zinc/80/39/04/1169803904.db2.gz XIRBCGDPIJDPEO-GHMZBOCLSA-N -1 1 305.342 0.571 20 0 DCADMM COC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@H]1CCCO1 ZINC001605060344 1169803912 /nfs/dbraw/zinc/80/39/12/1169803912.db2.gz XIRBCGDPIJDPEO-GHMZBOCLSA-N -1 1 305.342 0.571 20 0 DCADMM COCCCNC(=O)CN(C)Cc1csc(-c2nn[n-]n2)c1 ZINC001605088986 1169818025 /nfs/dbraw/zinc/81/80/25/1169818025.db2.gz IFHHVGAOKZQPJX-UHFFFAOYSA-N -1 1 324.410 0.513 20 0 DCADMM COCCN(CCOC)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001605101203 1169823207 /nfs/dbraw/zinc/82/32/07/1169823207.db2.gz ORECATURRQFDNM-UHFFFAOYSA-N -1 1 321.341 0.388 20 0 DCADMM COCCN(CCOC)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001605101203 1169823215 /nfs/dbraw/zinc/82/32/15/1169823215.db2.gz ORECATURRQFDNM-UHFFFAOYSA-N -1 1 321.341 0.388 20 0 DCADMM COCCOC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001605108502 1169828912 /nfs/dbraw/zinc/82/89/12/1169828912.db2.gz RFJCSDHXRRCADS-UHFFFAOYSA-N -1 1 319.369 0.597 20 0 DCADMM COCCOC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001605108502 1169828920 /nfs/dbraw/zinc/82/89/20/1169828920.db2.gz RFJCSDHXRRCADS-UHFFFAOYSA-N -1 1 319.369 0.597 20 0 DCADMM CO[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001605145123 1169848061 /nfs/dbraw/zinc/84/80/61/1169848061.db2.gz VOXKGNXDOMBDNV-ZYHUDNBSSA-N -1 1 302.338 0.488 20 0 DCADMM CO[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001605145123 1169848077 /nfs/dbraw/zinc/84/80/77/1169848077.db2.gz VOXKGNXDOMBDNV-ZYHUDNBSSA-N -1 1 302.338 0.488 20 0 DCADMM COc1cc(C)cnc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001605205111 1169868472 /nfs/dbraw/zinc/86/84/72/1169868472.db2.gz ICHJIVYGISVCQN-UHFFFAOYSA-N -1 1 300.282 0.046 20 0 DCADMM COc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)c(OC)n1 ZINC001605286308 1169887371 /nfs/dbraw/zinc/88/73/71/1169887371.db2.gz SWYVEHRKRRWXDN-UHFFFAOYSA-N -1 1 314.309 0.681 20 0 DCADMM COc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)c(OC)n1 ZINC001605286308 1169887384 /nfs/dbraw/zinc/88/73/84/1169887384.db2.gz SWYVEHRKRRWXDN-UHFFFAOYSA-N -1 1 314.309 0.681 20 0 DCADMM COc1cccc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)n1 ZINC001605319597 1169893278 /nfs/dbraw/zinc/89/32/78/1169893278.db2.gz ITNVXCFYEPTMLZ-UHFFFAOYSA-N -1 1 324.344 0.969 20 0 DCADMM COc1ncc(NC(=O)NC(C)(C)CO)cc1-c1nn[n-]n1 ZINC001605346413 1169897559 /nfs/dbraw/zinc/89/75/59/1169897559.db2.gz BJBMFZQBQPMCDC-UHFFFAOYSA-N -1 1 307.314 0.163 20 0 DCADMM COc1ncc(NC(=O)N2CC=C[C@H]2CO)cc1-c1nn[n-]n1 ZINC001605346556 1169898076 /nfs/dbraw/zinc/89/80/76/1169898076.db2.gz GDCGREHRCOIPMF-VIFPVBQESA-N -1 1 317.309 0.035 20 0 DCADMM COc1cncnc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001605343124 1169898411 /nfs/dbraw/zinc/89/84/11/1169898411.db2.gz YNLFFCULHPBNHN-UHFFFAOYSA-N -1 1 312.293 0.242 20 0 DCADMM COc1cncnc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001605343124 1169898416 /nfs/dbraw/zinc/89/84/16/1169898416.db2.gz YNLFFCULHPBNHN-UHFFFAOYSA-N -1 1 312.293 0.242 20 0 DCADMM COc1nc(C)ccc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001605344498 1169898966 /nfs/dbraw/zinc/89/89/66/1169898966.db2.gz VSZGCPWRARDIDK-UHFFFAOYSA-N -1 1 314.309 0.863 20 0 DCADMM C[C@@H]1CC=CC[C@H]1NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001605408431 1169914239 /nfs/dbraw/zinc/91/42/39/1169914239.db2.gz KBMYYGXIJAOYAQ-NXEZZACHSA-N -1 1 320.378 0.895 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001605446910 1169923975 /nfs/dbraw/zinc/92/39/75/1169923975.db2.gz XKKJLYHIAWNWRK-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001605446910 1169923978 /nfs/dbraw/zinc/92/39/78/1169923978.db2.gz XKKJLYHIAWNWRK-UWVGGRQHSA-N -1 1 316.369 0.573 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C=Cc2cn(C)cn2)nn1C ZINC001605464392 1169929656 /nfs/dbraw/zinc/92/96/56/1169929656.db2.gz GDIJOFFLZQKXTN-SNAWJCMRSA-N -1 1 313.325 0.294 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C=Cc2cn(C)cn2)nn1C ZINC001605464392 1169929662 /nfs/dbraw/zinc/92/96/62/1169929662.db2.gz GDIJOFFLZQKXTN-SNAWJCMRSA-N -1 1 313.325 0.294 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(CCOC(C)C)c(=O)n1C1CC1 ZINC001605462374 1169930567 /nfs/dbraw/zinc/93/05/67/1169930567.db2.gz CGFZBMNPDLNYMI-UHFFFAOYSA-N -1 1 320.353 0.258 20 0 DCADMM CCNCc1cn(CC(=O)Nc2ccc(C(=O)[O-])cc2)nn1 ZINC001605498952 1169940785 /nfs/dbraw/zinc/94/07/85/1169940785.db2.gz LLHZPYVKQFCKGE-UHFFFAOYSA-N -1 1 303.322 0.725 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC(=O)[C@H](C)C1 ZINC001605507209 1169941316 /nfs/dbraw/zinc/94/13/16/1169941316.db2.gz VMUXHDHCNROMFN-MRVPVSSYSA-N -1 1 316.321 0.327 20 0 DCADMM CCOC(=O)C1=C(CNC2(CC(=O)[O-])CC2)NC(=O)N[C@H]1C ZINC001605523038 1169947792 /nfs/dbraw/zinc/94/77/92/1169947792.db2.gz YDQPYWYBZIUVPO-QMMMGPOBSA-N -1 1 311.338 0.102 20 0 DCADMM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1oncc1C(=O)[O-] ZINC001605535066 1169950942 /nfs/dbraw/zinc/95/09/42/1169950942.db2.gz NPQLUPKEPCFBEU-UWVGGRQHSA-N -1 1 312.322 0.915 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC001605560349 1169960628 /nfs/dbraw/zinc/96/06/28/1169960628.db2.gz SFLAWQSJYZODDG-GHMZBOCLSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC001605560349 1169960630 /nfs/dbraw/zinc/96/06/30/1169960630.db2.gz SFLAWQSJYZODDG-GHMZBOCLSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H]([C@H]3CCCO3)C2)n1 ZINC001605562496 1169960990 /nfs/dbraw/zinc/96/09/90/1169960990.db2.gz HKNCIASNGWKQGS-NEPJUHHUSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H]([C@H]3CCCO3)C2)n1 ZINC001605562496 1169960994 /nfs/dbraw/zinc/96/09/94/1169960994.db2.gz HKNCIASNGWKQGS-NEPJUHHUSA-N -1 1 317.353 0.349 20 0 DCADMM CCOC[C@H](C(=O)[O-])N(C)C[C@H](O)C[C@H](O)c1ccccc1 ZINC001605623289 1169974846 /nfs/dbraw/zinc/97/48/46/1169974846.db2.gz AGHGHDBKFTYJEB-KFWWJZLASA-N -1 1 311.378 0.893 20 0 DCADMM CCOc1cccnc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001605715374 1169990651 /nfs/dbraw/zinc/99/06/51/1169990651.db2.gz KIWJXYLHBRZODU-NSHDSACASA-N -1 1 307.350 0.569 20 0 DCADMM Cc1ccc(COC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cn1 ZINC001605858702 1170014600 /nfs/dbraw/zinc/01/46/00/1170014600.db2.gz UENBHAGNZRYRJO-VIFPVBQESA-N -1 1 314.309 0.466 20 0 DCADMM Cc1ccc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001605864759 1170017029 /nfs/dbraw/zinc/01/70/29/1170017029.db2.gz LLRKKSADUMAMHH-XMPXNBJQSA-N -1 1 306.395 0.916 20 0 DCADMM Cc1ccc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001605864759 1170017035 /nfs/dbraw/zinc/01/70/35/1170017035.db2.gz LLRKKSADUMAMHH-XMPXNBJQSA-N -1 1 306.395 0.916 20 0 DCADMM Cc1ccc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c(-c2nnn[n-]2)n1 ZINC001605871961 1170017604 /nfs/dbraw/zinc/01/76/04/1170017604.db2.gz OWUKHFBCSKVJCI-ZJUUUORDSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1ccc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c(-c2nn[n-]n2)n1 ZINC001605871961 1170017611 /nfs/dbraw/zinc/01/76/11/1170017611.db2.gz OWUKHFBCSKVJCI-ZJUUUORDSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1ccc(N2CC[S@@](=O)C[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605868130 1170018609 /nfs/dbraw/zinc/01/86/09/1170018609.db2.gz ZCINDRNQGQRYFL-JLTPVHFHSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1ccc(N2CC[S@@](=O)C[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605868130 1170018614 /nfs/dbraw/zinc/01/86/14/1170018614.db2.gz ZCINDRNQGQRYFL-JLTPVHFHSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1ccc(NCC2(S(C)(=O)=O)CC2)c(-c2nnn[n-]2)n1 ZINC001605874950 1170019380 /nfs/dbraw/zinc/01/93/80/1170019380.db2.gz VAHCTCHGTOEYBS-UHFFFAOYSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc(NCC2(S(C)(=O)=O)CC2)c(-c2nn[n-]n2)n1 ZINC001605874950 1170019386 /nfs/dbraw/zinc/01/93/86/1170019386.db2.gz VAHCTCHGTOEYBS-UHFFFAOYSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2C[C@H]1CCOC1 ZINC001605889797 1170022169 /nfs/dbraw/zinc/02/21/69/1170022169.db2.gz LLJDYMFEZPXLMW-SNVBAGLBSA-N -1 1 312.333 0.922 20 0 DCADMM Cc1cscc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001606007069 1170047792 /nfs/dbraw/zinc/04/77/92/1170047792.db2.gz UEJCHEUSQTXZID-UHFFFAOYSA-N -1 1 304.339 0.145 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2CSCCS2)c1-c1nn[n-]n1 ZINC001606013733 1170049701 /nfs/dbraw/zinc/04/97/01/1170049701.db2.gz WVMIGPIPZLMCFN-ZCFIWIBFSA-N -1 1 311.396 0.685 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cn(C)nc2Cl)c1-c1nn[n-]n1 ZINC001606014475 1170050075 /nfs/dbraw/zinc/05/00/75/1170050075.db2.gz GVKWXHVPTGCFBN-UHFFFAOYSA-N -1 1 307.705 0.537 20 0 DCADMM CN(C)Cc1ccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])cn1 ZINC001606033509 1170060223 /nfs/dbraw/zinc/06/02/23/1170060223.db2.gz GXVFVNWYZXVOGR-GFCCVEGCSA-N -1 1 323.349 0.089 20 0 DCADMM Cc1nc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)c(C)o1 ZINC001606032412 1170060594 /nfs/dbraw/zinc/06/05/94/1170060594.db2.gz LXHAHGGHLGZWQY-UHFFFAOYSA-N -1 1 302.298 0.766 20 0 DCADMM Cc1nc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)c(C)o1 ZINC001606032412 1170060590 /nfs/dbraw/zinc/06/05/90/1170060590.db2.gz LXHAHGGHLGZWQY-UHFFFAOYSA-N -1 1 302.298 0.766 20 0 DCADMM Cc1nc(CC(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)cs1 ZINC001606039886 1170062281 /nfs/dbraw/zinc/06/22/81/1170062281.db2.gz FKDDCPYTAXTHED-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM Cc1nc(CC(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)cs1 ZINC001606039886 1170062285 /nfs/dbraw/zinc/06/22/85/1170062285.db2.gz FKDDCPYTAXTHED-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCC(=O)NC2=O)n1 ZINC001606035129 1170062800 /nfs/dbraw/zinc/06/28/00/1170062800.db2.gz NKYUMRPXTXYBER-SSDOTTSWSA-N -1 1 319.350 0.171 20 0 DCADMM CN(CC(=O)N[C@H](C(=O)[O-])C1CCCCC1)[C@@H]1CCC[C@H]1O ZINC001606080209 1170071280 /nfs/dbraw/zinc/07/12/80/1170071280.db2.gz SYTXRWXDCDHQRX-NFAWXSAZSA-N -1 1 312.410 0.981 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1nccnc1C ZINC001606098847 1170075112 /nfs/dbraw/zinc/07/51/12/1170075112.db2.gz NBBGNSZZNSWZNZ-UHFFFAOYSA-N -1 1 313.321 0.839 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1nccnc1C ZINC001606098847 1170075117 /nfs/dbraw/zinc/07/51/17/1170075117.db2.gz NBBGNSZZNSWZNZ-UHFFFAOYSA-N -1 1 313.321 0.839 20 0 DCADMM Cc1nn(C)c(NC(=O)CCc2ccn(C)n2)c1-c1nnn[n-]1 ZINC001606112768 1170078452 /nfs/dbraw/zinc/07/84/52/1170078452.db2.gz PKRPWYFOAAQYKI-UHFFFAOYSA-N -1 1 315.341 0.213 20 0 DCADMM Cc1nn(C)c(NC(=O)CCc2ccn(C)n2)c1-c1nn[n-]n1 ZINC001606112768 1170078459 /nfs/dbraw/zinc/07/84/59/1170078459.db2.gz PKRPWYFOAAQYKI-UHFFFAOYSA-N -1 1 315.341 0.213 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC001606118028 1170081300 /nfs/dbraw/zinc/08/13/00/1170081300.db2.gz DBHWTQWJCWZHBJ-UHFFFAOYSA-N -1 1 305.323 0.892 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC001606118028 1170081306 /nfs/dbraw/zinc/08/13/06/1170081306.db2.gz DBHWTQWJCWZHBJ-UHFFFAOYSA-N -1 1 305.323 0.892 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)o1 ZINC001606119241 1170081826 /nfs/dbraw/zinc/08/18/26/1170081826.db2.gz BRPZVFLPYLPWMW-ZCFIWIBFSA-N -1 1 300.282 0.444 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)o1 ZINC001606119241 1170081834 /nfs/dbraw/zinc/08/18/34/1170081834.db2.gz BRPZVFLPYLPWMW-ZCFIWIBFSA-N -1 1 300.282 0.444 20 0 DCADMM Cc1noc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1C ZINC001606133534 1170090225 /nfs/dbraw/zinc/09/02/25/1170090225.db2.gz HXDWBTNTFUFUQW-ZETCQYMHSA-N -1 1 303.286 0.263 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCc1ncn(C)n1 ZINC001606167812 1170101278 /nfs/dbraw/zinc/10/12/78/1170101278.db2.gz XTLPHCZHJRIYRG-UHFFFAOYSA-N -1 1 316.325 0.259 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCc1ncn(C)n1 ZINC001606167812 1170101281 /nfs/dbraw/zinc/10/12/81/1170101281.db2.gz XTLPHCZHJRIYRG-UHFFFAOYSA-N -1 1 316.325 0.259 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1ccc[n+]([O-])c1 ZINC001606170593 1170102740 /nfs/dbraw/zinc/10/27/40/1170102740.db2.gz JEHLPGSRDGPRKH-UHFFFAOYSA-N -1 1 301.262 0.759 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1ccc[n+]([O-])c1 ZINC001606170593 1170102741 /nfs/dbraw/zinc/10/27/41/1170102741.db2.gz JEHLPGSRDGPRKH-UHFFFAOYSA-N -1 1 301.262 0.759 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001606179959 1170104475 /nfs/dbraw/zinc/10/44/75/1170104475.db2.gz QUGGTQXCPORWTJ-BDAKNGLRSA-N -1 1 320.353 0.732 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001606179959 1170104477 /nfs/dbraw/zinc/10/44/77/1170104477.db2.gz QUGGTQXCPORWTJ-BDAKNGLRSA-N -1 1 320.353 0.732 20 0 DCADMM Cc1onc(CC(=O)NCC(=O)C2CCCC2)c1-c1nnn[n-]1 ZINC001606179985 1170104507 /nfs/dbraw/zinc/10/45/07/1170104507.db2.gz SRHHKOJHFGHHND-UHFFFAOYSA-N -1 1 318.337 0.581 20 0 DCADMM Cc1onc(CC(=O)NCC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC001606179985 1170104513 /nfs/dbraw/zinc/10/45/13/1170104513.db2.gz SRHHKOJHFGHHND-UHFFFAOYSA-N -1 1 318.337 0.581 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)c2ccn(C)n2)c1-c1nnn[n-]1 ZINC001606179865 1170104926 /nfs/dbraw/zinc/10/49/26/1170104926.db2.gz LGPXYPVNULXCOG-ZETCQYMHSA-N -1 1 316.325 0.317 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)c2ccn(C)n2)c1-c1nn[n-]n1 ZINC001606179865 1170104931 /nfs/dbraw/zinc/10/49/31/1170104931.db2.gz LGPXYPVNULXCOG-ZETCQYMHSA-N -1 1 316.325 0.317 20 0 DCADMM CN1C[C@@H](O)C[C@]1(C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001606204412 1170110705 /nfs/dbraw/zinc/11/07/05/1170110705.db2.gz GAWKUKDPAYAZPL-XJKSGUPXSA-N -1 1 304.346 0.682 20 0 DCADMM C[N@H+]1C[C@@H](OC(=O)c2ccn(C3CCOCC3)n2)C[C@@H]1C(=O)[O-] ZINC001606210740 1170115420 /nfs/dbraw/zinc/11/54/20/1170115420.db2.gz ZJZOSVDJULOPAI-WCQYABFASA-N -1 1 323.349 0.549 20 0 DCADMM Cn1c(CNc2ccnc(-c3nn[n-]n3)n2)nnc1C1CCC1 ZINC001606215932 1170117696 /nfs/dbraw/zinc/11/76/96/1170117696.db2.gz FFRJWMUGYAYVTK-UHFFFAOYSA-N -1 1 312.341 0.087 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2=CCCOC2)n1 ZINC001606223087 1170121873 /nfs/dbraw/zinc/12/18/73/1170121873.db2.gz DYXOEOKOZUZUTO-UHFFFAOYSA-N -1 1 304.314 0.068 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2=CCCOC2)n1 ZINC001606223087 1170121874 /nfs/dbraw/zinc/12/18/74/1170121874.db2.gz DYXOEOKOZUZUTO-UHFFFAOYSA-N -1 1 304.314 0.068 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ncc(Cl)cn2)n1 ZINC001606222681 1170121944 /nfs/dbraw/zinc/12/19/44/1170121944.db2.gz OQTZOMCXXHFPAZ-UHFFFAOYSA-N -1 1 305.689 0.296 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ncc(Cl)cn2)n1 ZINC001606222681 1170121945 /nfs/dbraw/zinc/12/19/45/1170121945.db2.gz OQTZOMCXXHFPAZ-UHFFFAOYSA-N -1 1 305.689 0.296 20 0 DCADMM CN1CCN(C(=O)CSc2ccncc2)C[C@@H](C(=O)[O-])C1 ZINC001606233724 1170128244 /nfs/dbraw/zinc/12/82/44/1170128244.db2.gz ZKVMXSLESSSQQA-NSHDSACASA-N -1 1 309.391 0.649 20 0 DCADMM CN1CCN(C)[C@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)C1 ZINC001606238364 1170130490 /nfs/dbraw/zinc/13/04/90/1170130490.db2.gz WUXKBMBBYATEHQ-UWTIGNOOSA-N -1 1 309.410 0.384 20 0 DCADMM CNC(=O)Cc1noc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])n1 ZINC001606277953 1170144876 /nfs/dbraw/zinc/14/48/76/1170144876.db2.gz WCQFBUPZFVGVAX-IGJMFERPSA-N -1 1 308.338 0.043 20 0 DCADMM CNS(=O)(=O)CCN(C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001606302224 1170155946 /nfs/dbraw/zinc/15/59/46/1170155946.db2.gz DOEBXTBTOAUKPU-GFCCVEGCSA-N -1 1 316.379 0.302 20 0 DCADMM COC(=O)[C@@H](CCC(=O)[O-])N1CCC[C@](C)(C(=O)OC)C1 ZINC001606333799 1170162290 /nfs/dbraw/zinc/16/22/90/1170162290.db2.gz VMWHYWCKQPNPIB-YGRLFVJLSA-N -1 1 301.339 0.668 20 0 DCADMM COC(=O)C1CCC(NC(=O)CCc2c[nH]nn2)(C(=O)[O-])CC1 ZINC001606395933 1170183891 /nfs/dbraw/zinc/18/38/91/1170183891.db2.gz FCMVKJJGYUVMSR-UHFFFAOYSA-N -1 1 324.337 0.040 20 0 DCADMM COC(=O)C1CCC(NC(=O)CCc2cnn[nH]2)(C(=O)[O-])CC1 ZINC001606395933 1170183904 /nfs/dbraw/zinc/18/39/04/1170183904.db2.gz FCMVKJJGYUVMSR-UHFFFAOYSA-N -1 1 324.337 0.040 20 0 DCADMM COC(=O)[C@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@H]1C(=O)[O-] ZINC001606428046 1170197211 /nfs/dbraw/zinc/19/72/11/1170197211.db2.gz AGCLEODSTGMCSF-NEPJUHHUSA-N -1 1 309.366 0.944 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001606429874 1170198688 /nfs/dbraw/zinc/19/86/88/1170198688.db2.gz HJEVXGDLSBCOQV-UHFFFAOYSA-N -1 1 309.289 0.613 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001606429874 1170198689 /nfs/dbraw/zinc/19/86/89/1170198689.db2.gz HJEVXGDLSBCOQV-UHFFFAOYSA-N -1 1 309.289 0.613 20 0 DCADMM NC(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001606433298 1170199731 /nfs/dbraw/zinc/19/97/31/1170199731.db2.gz NWGVIVCNUOSOHX-UHFFFAOYSA-N -1 1 312.289 0.489 20 0 DCADMM NC(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001606433298 1170199732 /nfs/dbraw/zinc/19/97/32/1170199732.db2.gz NWGVIVCNUOSOHX-UHFFFAOYSA-N -1 1 312.289 0.489 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1ccc(C=O)cc1 ZINC001606444952 1170205314 /nfs/dbraw/zinc/20/53/14/1170205314.db2.gz IOARYGGTDGCHLW-WAYWQWQTSA-N -1 1 309.289 0.812 20 0 DCADMM Nc1nccc([C@H]2CCCN(c3ncncc3-c3nn[n-]n3)C2)n1 ZINC001606456308 1170210648 /nfs/dbraw/zinc/21/06/48/1170210648.db2.gz GAZXIHZHCNNKIM-VIFPVBQESA-N -1 1 324.352 0.413 20 0 DCADMM COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001606506415 1170223045 /nfs/dbraw/zinc/22/30/45/1170223045.db2.gz XUNDWKSYSSTNDO-LLVKDONJSA-N -1 1 318.289 0.017 20 0 DCADMM COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001606505930 1170223546 /nfs/dbraw/zinc/22/35/46/1170223546.db2.gz OCFOJTQVWZCVHD-GFCCVEGCSA-N -1 1 317.301 0.622 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nnn[n-]2)n1)c1cscn1 ZINC001606563028 1170234804 /nfs/dbraw/zinc/23/48/04/1170234804.db2.gz ACEKDSXXDJCZRP-UHFFFAOYSA-N -1 1 316.302 0.758 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nn[n-]n2)n1)c1cscn1 ZINC001606563028 1170234809 /nfs/dbraw/zinc/23/48/09/1170234809.db2.gz ACEKDSXXDJCZRP-UHFFFAOYSA-N -1 1 316.302 0.758 20 0 DCADMM O=C(COc1ccc(F)nc1-c1nn[n-]n1)N1CCCCC1 ZINC001606571827 1170235966 /nfs/dbraw/zinc/23/59/66/1170235966.db2.gz ALOLIBHOCUCOIX-UHFFFAOYSA-N -1 1 306.301 0.792 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1C[C@@H](O)C12CCC2 ZINC001606594824 1170238644 /nfs/dbraw/zinc/23/86/44/1170238644.db2.gz NPECQTOQXCDGBD-NWDGAFQWSA-N -1 1 314.349 0.224 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1C[C@@H](O)C12CCC2 ZINC001606594824 1170238647 /nfs/dbraw/zinc/23/86/47/1170238647.db2.gz NPECQTOQXCDGBD-NWDGAFQWSA-N -1 1 314.349 0.224 20 0 DCADMM O=C(Cn1ccc(C(F)F)n1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606619226 1170243912 /nfs/dbraw/zinc/24/39/12/1170243912.db2.gz SMBNXEWVEHGDNL-UHFFFAOYSA-N -1 1 309.240 0.363 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H]1CCC[C@@H]1C1CC1 ZINC001606620079 1170245096 /nfs/dbraw/zinc/24/50/96/1170245096.db2.gz AFQPQOOQOWMSFF-GHMZBOCLSA-N -1 1 316.369 0.401 20 0 DCADMM COC(=O)c1cn([C@H]2CCN(Cc3occc3C(=O)[O-])C2)nn1 ZINC001606623053 1170246591 /nfs/dbraw/zinc/24/65/91/1170246591.db2.gz NQQVRDLAMJZREP-VIFPVBQESA-N -1 1 320.305 0.803 20 0 DCADMM O=C(N[C@@H](CO)CC(F)F)c1ccsc1-c1nnn[n-]1 ZINC001606634906 1170249172 /nfs/dbraw/zinc/24/91/72/1170249172.db2.gz BVAKGUSHSAYVFK-RXMQYKEDSA-N -1 1 303.294 0.674 20 0 DCADMM O=C(N[C@@H](CO)CC(F)F)c1ccsc1-c1nn[n-]n1 ZINC001606634906 1170249177 /nfs/dbraw/zinc/24/91/77/1170249177.db2.gz BVAKGUSHSAYVFK-RXMQYKEDSA-N -1 1 303.294 0.674 20 0 DCADMM O=C(NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)C1CC1 ZINC001606701021 1170267560 /nfs/dbraw/zinc/26/75/60/1170267560.db2.gz AOBVCVNLIFODFC-SNVBAGLBSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)C1CC1 ZINC001606701021 1170267564 /nfs/dbraw/zinc/26/75/64/1170267564.db2.gz AOBVCVNLIFODFC-SNVBAGLBSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCC1(O)CCCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606713783 1170272091 /nfs/dbraw/zinc/27/20/91/1170272091.db2.gz RSOGQHQTHICXQC-UHFFFAOYSA-N -1 1 303.326 0.688 20 0 DCADMM O=C(NCC1(O)CCCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606713783 1170272084 /nfs/dbraw/zinc/27/20/84/1170272084.db2.gz RSOGQHQTHICXQC-UHFFFAOYSA-N -1 1 303.326 0.688 20 0 DCADMM COC[C@H](C)[C@H](C)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001606793525 1170292297 /nfs/dbraw/zinc/29/22/97/1170292297.db2.gz OXLNZQXZBKCUSF-XQQFMLRXSA-N -1 1 300.399 0.912 20 0 DCADMM COC[C@@]1(C(=O)[O-])CCCN1CC[S@](=O)C(F)(F)F ZINC001606833776 1170305871 /nfs/dbraw/zinc/30/58/71/1170305871.db2.gz UYQWDMBVCAVYKJ-HOGDKLEQSA-N -1 1 303.302 0.821 20 0 DCADMM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCN(C)C ZINC001606956512 1170338350 /nfs/dbraw/zinc/33/83/50/1170338350.db2.gz PMSZEZKGMYZISO-UHFFFAOYSA-N -1 1 316.379 0.371 20 0 DCADMM O=C(O[C@H]1CCN(C2CCC2)C1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001606964182 1170339474 /nfs/dbraw/zinc/33/94/74/1170339474.db2.gz ORGALPXKXCJJAY-JTQLQIEISA-N -1 1 317.305 0.770 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@]12CCOC2=O ZINC001607016705 1170355417 /nfs/dbraw/zinc/35/54/17/1170355417.db2.gz ABDKBKYTRHIMHJ-CYBMUJFWSA-N -1 1 319.346 0.850 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@]12CCOC2=O ZINC001607016705 1170355425 /nfs/dbraw/zinc/35/54/25/1170355425.db2.gz ABDKBKYTRHIMHJ-CYBMUJFWSA-N -1 1 319.346 0.850 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC001607017367 1170355795 /nfs/dbraw/zinc/35/57/95/1170355795.db2.gz RZSDJVOCOQYKJT-IUODEOHRSA-N -1 1 314.349 0.639 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC001607017367 1170355803 /nfs/dbraw/zinc/35/58/03/1170355803.db2.gz RZSDJVOCOQYKJT-IUODEOHRSA-N -1 1 314.349 0.639 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCn2cncc2C1 ZINC001607021958 1170357657 /nfs/dbraw/zinc/35/76/57/1170357657.db2.gz CHRHYZHXAHXMSA-UHFFFAOYSA-N -1 1 313.296 0.858 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H](Cn2ccnn2)C1 ZINC001607030607 1170360990 /nfs/dbraw/zinc/36/09/90/1170360990.db2.gz KIPXJVRBMSJCCA-VIFPVBQESA-N -1 1 314.309 0.214 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H](Cn2ccnn2)C1 ZINC001607030607 1170360997 /nfs/dbraw/zinc/36/09/97/1170360997.db2.gz KIPXJVRBMSJCCA-VIFPVBQESA-N -1 1 314.309 0.214 20 0 DCADMM O=C1CC[C@@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)O1 ZINC001607044441 1170367795 /nfs/dbraw/zinc/36/77/95/1170367795.db2.gz SASQCBZQJPNYMX-VIFPVBQESA-N -1 1 311.301 0.887 20 0 DCADMM O=C(N[C@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001607044474 1170367979 /nfs/dbraw/zinc/36/79/79/1170367979.db2.gz SJZVVJXKRZTVDX-SSDOTTSWSA-N -1 1 306.351 0.327 20 0 DCADMM O=C(N[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001607044474 1170367984 /nfs/dbraw/zinc/36/79/84/1170367984.db2.gz SJZVVJXKRZTVDX-SSDOTTSWSA-N -1 1 306.351 0.327 20 0 DCADMM O=C1OCCN1C[C@H]1CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001607054670 1170372147 /nfs/dbraw/zinc/37/21/47/1170372147.db2.gz LKHXYUMIBKTXAG-JTQLQIEISA-N -1 1 315.337 0.540 20 0 DCADMM O=C1OCCN1C[C@H]1CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001607054670 1170372153 /nfs/dbraw/zinc/37/21/53/1170372153.db2.gz LKHXYUMIBKTXAG-JTQLQIEISA-N -1 1 315.337 0.540 20 0 DCADMM O=C1OCC[C@@]12CCCN2Cc1nc(-c2nnn[n-]2)cs1 ZINC001607054079 1170372856 /nfs/dbraw/zinc/37/28/56/1170372856.db2.gz AHIYWPWZPFADKM-LBPRGKRZSA-N -1 1 306.351 0.605 20 0 DCADMM O=C1OCC[C@@]12CCCN2Cc1nc(-c2nn[n-]n2)cs1 ZINC001607054079 1170372859 /nfs/dbraw/zinc/37/28/59/1170372859.db2.gz AHIYWPWZPFADKM-LBPRGKRZSA-N -1 1 306.351 0.605 20 0 DCADMM O=S(=O)(NCc1ccncc1)c1ccsc1-c1nn[n-]n1 ZINC001607067050 1170377260 /nfs/dbraw/zinc/37/72/60/1170377260.db2.gz RYFZJNGTAKKBDQ-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM O=S1(=O)CCCC[C@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001607073600 1170380401 /nfs/dbraw/zinc/38/04/01/1170380401.db2.gz PLYYBTVBMTXCJM-QMMMGPOBSA-N -1 1 309.355 0.036 20 0 DCADMM O=S1(=O)CCCC[C@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001607073600 1170380409 /nfs/dbraw/zinc/38/04/09/1170380409.db2.gz PLYYBTVBMTXCJM-QMMMGPOBSA-N -1 1 309.355 0.036 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCn1cccn1)CCCC2 ZINC001607089067 1170387516 /nfs/dbraw/zinc/38/75/16/1170387516.db2.gz DSGGXIFIXFPFIO-UHFFFAOYSA-N -1 1 311.349 0.804 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccccc1CF ZINC001607088090 1170387551 /nfs/dbraw/zinc/38/75/51/1170387551.db2.gz CERZBGNWGZZUFN-UHFFFAOYSA-N -1 1 302.269 0.647 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@H]1CCC2(CCOCC2)O1 ZINC001607091992 1170388381 /nfs/dbraw/zinc/38/83/81/1170388381.db2.gz XFIZYHLLAIMOIN-GFCCVEGCSA-N -1 1 317.349 0.757 20 0 DCADMM O=c1c(-c2nn[n-]n2)cn(C[C@H]2COCCO2)c2ccccc12 ZINC001607092199 1170390653 /nfs/dbraw/zinc/39/06/53/1170390653.db2.gz QLNXZKGGGDKNCV-JTQLQIEISA-N -1 1 313.317 0.597 20 0 DCADMM O[C@]1(C(F)(F)F)CCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001607097434 1170392545 /nfs/dbraw/zinc/39/25/45/1170392545.db2.gz CXVQUNPEZHHNMH-SECBINFHSA-N -1 1 301.232 0.160 20 0 DCADMM OC[C@@H](O)CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001607102487 1170396750 /nfs/dbraw/zinc/39/67/50/1170396750.db2.gz WQINZSOMJUERET-YFKPBYRVSA-N -1 1 304.232 0.046 20 0 DCADMM OC[C@@H](O)CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001607102487 1170396760 /nfs/dbraw/zinc/39/67/60/1170396760.db2.gz WQINZSOMJUERET-YFKPBYRVSA-N -1 1 304.232 0.046 20 0 DCADMM O[C@@H]1C[C@H](c2ccccc2)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001607101862 1170396771 /nfs/dbraw/zinc/39/67/71/1170396771.db2.gz SRQDWQITEFFNKF-DGCLKSJQSA-N -1 1 309.333 0.969 20 0 DCADMM O[C@@H]1C[C@H](c2ccccc2)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001607101862 1170396774 /nfs/dbraw/zinc/39/67/74/1170396774.db2.gz SRQDWQITEFFNKF-DGCLKSJQSA-N -1 1 309.333 0.969 20 0 DCADMM OCC1(c2ccccc2)CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001607104156 1170397756 /nfs/dbraw/zinc/39/77/56/1170397756.db2.gz GCMATCAECIOPNL-UHFFFAOYSA-N -1 1 309.333 0.407 20 0 DCADMM c1cc(NC[C@@H]2COC3(CCCCC3)O2)nc(-c2nn[n-]n2)n1 ZINC001607120575 1170404890 /nfs/dbraw/zinc/40/48/90/1170404890.db2.gz DEAQJYVLUHMVDH-SNVBAGLBSA-N -1 1 317.353 0.566 20 0 DCADMM c1cc(NC[C@@H]2COC3(CCOCC3)O2)cc(-c2nnn[n-]2)n1 ZINC001607121370 1170405296 /nfs/dbraw/zinc/40/52/96/1170405296.db2.gz PORJEHQRRSEXIQ-LLVKDONJSA-N -1 1 318.337 0.018 20 0 DCADMM c1cc(NC[C@@H]2COC3(CCOCC3)O2)cc(-c2nn[n-]n2)n1 ZINC001607121370 1170405297 /nfs/dbraw/zinc/40/52/97/1170405297.db2.gz PORJEHQRRSEXIQ-LLVKDONJSA-N -1 1 318.337 0.018 20 0 DCADMM c1nc(-c2nnn[n-]2)cnc1Sc1nnnn1C1CCCC1 ZINC001607137540 1170409420 /nfs/dbraw/zinc/40/94/20/1170409420.db2.gz UHMVAQGTRHDOPK-UHFFFAOYSA-N -1 1 316.354 0.910 20 0 DCADMM c1nc(-c2nn[n-]n2)cnc1Sc1nnnn1C1CCCC1 ZINC001607137540 1170409421 /nfs/dbraw/zinc/40/94/21/1170409421.db2.gz UHMVAQGTRHDOPK-UHFFFAOYSA-N -1 1 316.354 0.910 20 0 DCADMM COc1cc(F)cc(F)c1S(=O)(=O)N[C@@H](CF)C(=O)[O-] ZINC001607171082 1170411973 /nfs/dbraw/zinc/41/19/73/1170411973.db2.gz OWHPUJUIEXLIMY-ZETCQYMHSA-N -1 1 313.253 0.674 20 0 DCADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ncn[nH]2)c(OC)c1 ZINC001607224348 1170416617 /nfs/dbraw/zinc/41/66/17/1170416617.db2.gz NHNXOCOKDREGBR-JTQLQIEISA-N -1 1 320.305 0.768 20 0 DCADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2nc[nH]n2)c(OC)c1 ZINC001607224348 1170416618 /nfs/dbraw/zinc/41/66/18/1170416618.db2.gz 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ZINC001607601471 1170483176 /nfs/dbraw/zinc/48/31/76/1170483176.db2.gz NULWSYXMZDHBPG-UHFFFAOYSA-N -1 1 321.381 0.084 20 0 DCADMM Cc1cc(C[C@@H](C)NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)n[nH]1 ZINC001607636717 1170486821 /nfs/dbraw/zinc/48/68/21/1170486821.db2.gz UNNKXWGJUHSDDV-BXKDBHETSA-N -1 1 322.365 0.089 20 0 DCADMM Cc1cc(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n[nH]1 ZINC001607642461 1170489102 /nfs/dbraw/zinc/48/91/02/1170489102.db2.gz OFIKYOLEMXPQPN-IINYFYTJSA-N -1 1 308.338 0.351 20 0 DCADMM Cc1ccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1C(=O)[O-] ZINC001607795713 1170507004 /nfs/dbraw/zinc/50/70/04/1170507004.db2.gz FKAVTNJONQEDEQ-VXGBXAGGSA-N -1 1 323.324 0.529 20 0 DCADMM Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2C)c(C(=O)[O-])c1 ZINC001607798102 1170508241 /nfs/dbraw/zinc/50/82/41/1170508241.db2.gz BFHBAQVOXOBXJS-LLVKDONJSA-N -1 1 319.361 0.842 20 0 DCADMM Cc1ccc2[nH]nnc2c1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC001607828294 1170511027 /nfs/dbraw/zinc/51/10/27/1170511027.db2.gz KUHASKFMVGFRBA-UHFFFAOYSA-N -1 1 301.266 0.195 20 0 DCADMM Cc1nc(CNC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)n[nH]1 ZINC001607936744 1170527727 /nfs/dbraw/zinc/52/77/27/1170527727.db2.gz KHDUDRCOVMUNSZ-UHFFFAOYSA-N -1 1 308.298 0.534 20 0 DCADMM Cc1nnc(SCCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])[nH]1 ZINC001608017364 1170550554 /nfs/dbraw/zinc/55/05/54/1170550554.db2.gz WOGYMEFPCLZKIP-SCZZXKLOSA-N -1 1 314.367 0.032 20 0 DCADMM Cc1nocc1CN1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C[C@@H]2C1 ZINC001608028809 1170552601 /nfs/dbraw/zinc/55/26/01/1170552601.db2.gz CQWPWBDPZOHTTG-UZGDPCLZSA-N -1 1 319.361 0.594 20 0 DCADMM Cn1c(C(=O)[O-])ccc1C(=O)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC001608084050 1170566980 /nfs/dbraw/zinc/56/69/80/1170566980.db2.gz VVHVOFGCSNKYDK-QMMMGPOBSA-N -1 1 319.321 0.275 20 0 DCADMM Cn1c(C(=O)[O-])ccc1C(=O)NCc1n[nH]c([C@H]2CCOC2)n1 ZINC001608084050 1170566982 /nfs/dbraw/zinc/56/69/82/1170566982.db2.gz VVHVOFGCSNKYDK-QMMMGPOBSA-N -1 1 319.321 0.275 20 0 DCADMM CN1CC(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)=NC1=O ZINC001608096680 1170569587 /nfs/dbraw/zinc/56/95/87/1170569587.db2.gz IYDSCHQMVATPBO-INIZCTEOSA-N -1 1 315.329 0.994 20 0 DCADMM CN1CC(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])=NC1=O ZINC001608098113 1170570533 /nfs/dbraw/zinc/57/05/33/1170570533.db2.gz IMARNILAFOEQJV-LLVKDONJSA-N -1 1 323.280 0.527 20 0 DCADMM Cn1cc(NC(=O)NCCN2CCC(O)CC2)cc1C(=O)[O-] ZINC001608121341 1170581479 /nfs/dbraw/zinc/58/14/79/1170581479.db2.gz UYMPCOQGCHVNJA-UHFFFAOYSA-N -1 1 310.354 0.302 20 0 DCADMM Cn1nccc1[C@H](NCc1cccn(C(F)F)c1=O)C(=O)[O-] ZINC001608164756 1170606256 /nfs/dbraw/zinc/60/62/56/1170606256.db2.gz WPEFMFHZIHAYMS-JTQLQIEISA-N -1 1 312.276 0.892 20 0 DCADMM NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ncc(C(=O)[O-])s1 ZINC001608239067 1170625904 /nfs/dbraw/zinc/62/59/04/1170625904.db2.gz GKBMTIXLQPDYPW-VIFPVBQESA-N -1 1 312.395 0.271 20 0 DCADMM Nc1nc(N)nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)n1 ZINC001608276539 1170639945 /nfs/dbraw/zinc/63/99/45/1170639945.db2.gz FDCFCZGESUMNKU-KXUCPTDWSA-N -1 1 306.370 0.501 20 0 DCADMM Nc1nc(N)nc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)n1 ZINC001608276539 1170639948 /nfs/dbraw/zinc/63/99/48/1170639948.db2.gz FDCFCZGESUMNKU-KXUCPTDWSA-N -1 1 306.370 0.501 20 0 DCADMM O=C([O-])C1CC2(C1)C[C@H](NC(=O)CCc1nc[nH]n1)CCO2 ZINC001608322714 1170649908 /nfs/dbraw/zinc/64/99/08/1170649908.db2.gz SFTPMVWRCQVRGL-OPASDULOSA-N -1 1 308.338 0.266 20 0 DCADMM O=C(Cc1n[nH]c2c1CCCC2)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001608372420 1170662411 /nfs/dbraw/zinc/66/24/11/1170662411.db2.gz RSQNIHKRXVBYBX-LBPRGKRZSA-N -1 1 323.349 0.163 20 0 DCADMM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1ccc(Cc2nc[nH]n2)cc1 ZINC001608460142 1170684080 /nfs/dbraw/zinc/68/40/80/1170684080.db2.gz YCFQZAXBHVNLHU-VXGBXAGGSA-N -1 1 300.318 0.846 20 0 DCADMM O=C([O-])[C@@H](C[C@H]1CCCO1)[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC001608533793 1170697064 /nfs/dbraw/zinc/69/70/64/1170697064.db2.gz XFRQABMLXHYVIB-RKDXNWHRSA-N -1 1 312.288 0.667 20 0 DCADMM O=C([O-])[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1cccc(O)c1 ZINC001608547797 1170700839 /nfs/dbraw/zinc/70/08/39/1170700839.db2.gz CAHKNHKLPYNROI-AWEZNQCLSA-N -1 1 314.301 0.644 20 0 DCADMM O=C([O-])C1(CS(=O)(=O)NCC(F)(F)CO)CCCC1 ZINC001608573978 1170702791 /nfs/dbraw/zinc/70/27/91/1170702791.db2.gz SAUMIHBRPLAMBE-UHFFFAOYSA-N -1 1 301.311 0.178 20 0 DCADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCN(CCn2cccn2)CC1 ZINC001608612441 1170721924 /nfs/dbraw/zinc/72/19/24/1170721924.db2.gz VXMKMVQTXALQAZ-QWHCGFSZSA-N -1 1 306.366 0.138 20 0 DCADMM O=C([O-])CCN1CC[C@@H](N2CCC(c3ncccn3)CC2)C1=O ZINC001608723675 1170744253 /nfs/dbraw/zinc/74/42/53/1170744253.db2.gz WJLRTOSOQPSQHS-CYBMUJFWSA-N -1 1 318.377 0.732 20 0 DCADMM O=C([O-])Cn1ncc2ccc(NC(=O)C[C@@H]3COCCN3)cc21 ZINC001608799362 1170757263 /nfs/dbraw/zinc/75/72/63/1170757263.db2.gz FUPYWVDGCDBZHH-GFCCVEGCSA-N -1 1 318.333 0.438 20 0 DCADMM C[C@@H](C(=O)N1CC[C@H](C2CCC2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001609067665 1170797666 /nfs/dbraw/zinc/79/76/66/1170797666.db2.gz BSBHKVUMBYCNTF-ONGXEEELSA-N -1 1 316.369 0.668 20 0 DCADMM CC(=O)Nc1cccnc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609065074 1170797871 /nfs/dbraw/zinc/79/78/71/1170797871.db2.gz MQLYTRUVQKBEBR-UHFFFAOYSA-N -1 1 324.304 0.867 20 0 DCADMM CC(=O)Nc1cccnc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609065074 1170797874 /nfs/dbraw/zinc/79/78/74/1170797874.db2.gz MQLYTRUVQKBEBR-UHFFFAOYSA-N -1 1 324.304 0.867 20 0 DCADMM C[C@H](C(=O)OCc1ccccc1F)n1cnc(-c2nn[n-]n2)n1 ZINC001609072339 1170799696 /nfs/dbraw/zinc/79/96/96/1170799696.db2.gz LZBHJDFCXPLMJM-MRVPVSSYSA-N -1 1 317.284 0.902 20 0 DCADMM CC(C)(C)[C@H](O)C[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001609074671 1170800885 /nfs/dbraw/zinc/80/08/85/1170800885.db2.gz WSYWPHXVZZULOM-WCBMZHEXSA-N -1 1 307.358 0.227 20 0 DCADMM CC(C)(C)[C@H](O)C[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001609074671 1170800893 /nfs/dbraw/zinc/80/08/93/1170800893.db2.gz WSYWPHXVZZULOM-WCBMZHEXSA-N -1 1 307.358 0.227 20 0 DCADMM CC(C)(O)[C@@H]1CCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609085006 1170803883 /nfs/dbraw/zinc/80/38/83/1170803883.db2.gz PXPXXKZVQSEEGQ-NSHDSACASA-N -1 1 302.338 0.637 20 0 DCADMM CC(C)(O)[C@@H]1CCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609085006 1170803892 /nfs/dbraw/zinc/80/38/92/1170803892.db2.gz PXPXXKZVQSEEGQ-NSHDSACASA-N -1 1 302.338 0.637 20 0 DCADMM CC1(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001609142731 1170824366 /nfs/dbraw/zinc/82/43/66/1170824366.db2.gz KEBKANKSLBMELD-UHFFFAOYSA-N -1 1 313.365 0.710 20 0 DCADMM CC1(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001609142731 1170824372 /nfs/dbraw/zinc/82/43/72/1170824372.db2.gz KEBKANKSLBMELD-UHFFFAOYSA-N -1 1 313.365 0.710 20 0 DCADMM C[C@H](c1cccs1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001609141833 1170824387 /nfs/dbraw/zinc/82/43/87/1170824387.db2.gz DFJFLLGCXNVZAN-MRVPVSSYSA-N -1 1 318.366 0.739 20 0 DCADMM CC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)OCCO1 ZINC001609148033 1170826197 /nfs/dbraw/zinc/82/61/97/1170826197.db2.gz 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CN(CCCNC(=O)c1ncccc1[O-])C(=O)[C@]1(C)CCOC1 ZINC001703569713 1179596992 /nfs/dbraw/zinc/59/69/92/1179596992.db2.gz RKYQKKWJRZYFQS-MRXNPFEDSA-N -1 1 321.377 0.792 20 0 DCADMM COCCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001703789361 1179674903 /nfs/dbraw/zinc/67/49/03/1179674903.db2.gz ZRWMBIYPILDSDA-NSHDSACASA-N -1 1 307.350 0.545 20 0 DCADMM Cc1c[nH]nc1C(=O)NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001707477132 1180531374 /nfs/dbraw/zinc/53/13/74/1180531374.db2.gz DTSIGQJYCZPXHT-UHFFFAOYSA-N -1 1 319.369 0.326 20 0 DCADMM C[C@@H](CNC(=O)c1ncc2ccccn21)NCc1n[nH]c(=O)[n-]1 ZINC001713323634 1180768379 /nfs/dbraw/zinc/76/83/79/1180768379.db2.gz NWSISMAWJINTHF-VIFPVBQESA-N -1 1 315.337 0.066 20 0 DCADMM Cc1noc(C2CC2)c1C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1 ZINC001713615017 1180969390 /nfs/dbraw/zinc/96/93/90/1180969390.db2.gz AGCZCMIYHIMZNG-UHFFFAOYSA-N -1 1 320.353 0.546 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)C1(C)CCOCC1 ZINC001715761784 1181982052 /nfs/dbraw/zinc/98/20/52/1181982052.db2.gz BPMXEOZLKVMDNZ-UHFFFAOYSA-N -1 1 311.386 0.265 20 0 DCADMM CCCOCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001718651144 1183306961 /nfs/dbraw/zinc/30/69/61/1183306961.db2.gz HFFSSHXGPKFOSW-VXGBXAGGSA-N -1 1 321.377 0.933 20 0 DCADMM CCC(=O)NCCC[N@H+](CC)Cc1cc(=O)n2[n-]ccc2n1 ZINC001731298380 1185247282 /nfs/dbraw/zinc/24/72/82/1185247282.db2.gz VAAJVHSQZVGVJP-UHFFFAOYSA-N -1 1 305.382 0.761 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H](CNC(=O)C[C@@H]3C=CCC3)C2)nc1=O ZINC001731839533 1185519120 /nfs/dbraw/zinc/51/91/20/1185519120.db2.gz KPSNHGXFHPEWLT-OLZOCXBDSA-N -1 1 319.409 0.403 20 0 DCADMM C/C=C(/C)C(=O)N(CC)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001732182209 1185725219 /nfs/dbraw/zinc/72/52/19/1185725219.db2.gz XVOZZCHIRDQVRI-QJGQKNTRSA-N -1 1 307.398 0.497 20 0 DCADMM CCCCOCC(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001732326961 1185767356 /nfs/dbraw/zinc/76/73/56/1185767356.db2.gz YULDDGMNALIQAY-LLVKDONJSA-N -1 1 311.386 0.408 20 0 DCADMM CC(C)[C@@H](CNC(=O)c1ccnc(F)c1)NCc1n[nH]c(=O)[n-]1 ZINC001732554166 1185848139 /nfs/dbraw/zinc/84/81/39/1185848139.db2.gz GMZSUYHKPMWKRK-SNVBAGLBSA-N -1 1 322.344 0.589 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCO[C@H](C)C1 ZINC001732802467 1185975568 /nfs/dbraw/zinc/97/55/68/1185975568.db2.gz HUUSAIZZEMYBFO-GHMZBOCLSA-N -1 1 311.386 0.264 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCO[C@H](C)C1 ZINC001732802768 1185976181 /nfs/dbraw/zinc/97/61/81/1185976181.db2.gz HUUSAIZZEMYBFO-MNOVXSKESA-N -1 1 311.386 0.264 20 0 DCADMM C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)C[C@H]1CC=CCC1 ZINC001733051219 1186119277 /nfs/dbraw/zinc/11/92/77/1186119277.db2.gz ZDBXUWONQRUVEJ-STQMWFEESA-N -1 1 321.425 0.791 20 0 DCADMM CCCOCC(=O)NC1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001735482241 1186902327 /nfs/dbraw/zinc/90/23/27/1186902327.db2.gz CDXPSPWFBHYSRA-UHFFFAOYSA-N -1 1 321.377 0.933 20 0 DCADMM Cc1c[nH]c(C(=O)NCC=CCNC(=O)c2ncccc2[O-])n1 ZINC001738490599 1187571707 /nfs/dbraw/zinc/57/17/07/1187571707.db2.gz GTDQWRSPDHDGHK-NSCUHMNNSA-N -1 1 315.333 0.535 20 0 DCADMM O=C(NCCNC(=O)c1ncccc1[O-])c1ccncc1Cl ZINC001742355063 1187963498 /nfs/dbraw/zinc/96/34/98/1187963498.db2.gz BNQGHQJDORYTMZ-UHFFFAOYSA-N -1 1 320.736 0.995 20 0 DCADMM CCO[C@@H](C(=O)NCCNC(=O)c1ncccc1[O-])C(C)C ZINC001742356915 1187965719 /nfs/dbraw/zinc/96/57/19/1187965719.db2.gz ZKLJUAXSRRKZRJ-CYBMUJFWSA-N -1 1 309.366 0.694 20 0 DCADMM O=C(NCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ncccc1[O-] ZINC001742833921 1188062208 /nfs/dbraw/zinc/06/22/08/1188062208.db2.gz SRTFKTODDREZGN-WZRBSPASSA-N -1 1 319.361 0.591 20 0 DCADMM CN(CCCNC(=O)c1ncccc1[O-])C(=O)[C@]12C[C@H]1COC2 ZINC001743435445 1188130854 /nfs/dbraw/zinc/13/08/54/1188130854.db2.gz WXXYUYPBTLQEHR-ZBEGNZNMSA-N -1 1 319.361 0.402 20 0 DCADMM C[C@H](CNC(=O)c1cc2cnccc2o1)NCc1n[nH]c(=O)[n-]1 ZINC001752883492 1188455185 /nfs/dbraw/zinc/45/51/85/1188455185.db2.gz IKFZPCIPUJBATC-MRVPVSSYSA-N -1 1 316.321 0.560 20 0 DCADMM C[C@@H](CNC(=O)CC(F)(F)C(F)F)NCc1n[nH]c(=O)[n-]1 ZINC001752899967 1188458314 /nfs/dbraw/zinc/45/83/14/1188458314.db2.gz GITBFFFRQUEUNA-YFKPBYRVSA-N -1 1 313.255 0.395 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)C=Cc1ccco1 ZINC001753678059 1188639231 /nfs/dbraw/zinc/63/92/31/1188639231.db2.gz WBNIHMJOCMWSJO-OMMCCPJFSA-N -1 1 305.338 0.753 20 0 DCADMM CC(C)=C(C)CC(=O)N(CCO)CCNCc1n[nH]c(=O)[n-]1 ZINC001754888827 1188964872 /nfs/dbraw/zinc/96/48/72/1188964872.db2.gz HENLFNMMQPIKAV-UHFFFAOYSA-N -1 1 311.386 0.167 20 0 DCADMM COCCCC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001757316787 1189526969 /nfs/dbraw/zinc/52/69/69/1189526969.db2.gz XLVCKOGBCXLMCV-TXEJJXNPSA-N -1 1 321.377 0.838 20 0 DCADMM Cc1c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)ccc2cncn21 ZINC001771648127 1190460149 /nfs/dbraw/zinc/46/01/49/1190460149.db2.gz AKTDBSGHXWFTKD-GFCCVEGCSA-N -1 1 323.374 0.881 20 0 DCADMM O=C([O-])[C@@H]1C[C@@H](NC(=O)C[C@@H]2COCCN2)c2ccccc21 ZINC001771769735 1190494802 /nfs/dbraw/zinc/49/48/02/1190494802.db2.gz GYWRCLWQURHAOT-LERXQTSPSA-N -1 1 304.346 0.794 20 0 DCADMM Cn1[n-]c(CN[C@H](c2ccncc2)C2(CO)CCC2)nc1=O ZINC001771862205 1190532512 /nfs/dbraw/zinc/53/25/12/1190532512.db2.gz NLHIOVZBOFHZIA-CYBMUJFWSA-N -1 1 303.366 0.497 20 0 DCADMM C[C@H](C[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)[O-] ZINC001771907383 1190550024 /nfs/dbraw/zinc/55/00/24/1190550024.db2.gz KIFLIXCDHZDDCV-GFCCVEGCSA-N -1 1 307.398 0.381 20 0 DCADMM Cn1nccc1CCC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001771914544 1190552330 /nfs/dbraw/zinc/55/23/30/1190552330.db2.gz HYBMCRPFDHJYMU-JTQLQIEISA-N -1 1 307.383 0.183 20 0 DCADMM COc1cnc([C@H]2CCCN2S(=O)(=O)N(C)C)[n-]c1=O ZINC001772041094 1190597845 /nfs/dbraw/zinc/59/78/45/1190597845.db2.gz LUGWWHPXGNFZHK-MRVPVSSYSA-N -1 1 302.356 0.134 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2(n3cccn3)CC2)CC1 ZINC001772041466 1190597892 /nfs/dbraw/zinc/59/78/92/1190597892.db2.gz SSEOBGGTDBIGMI-GFCCVEGCSA-N -1 1 306.366 0.380 20 0 DCADMM CSCC1CCN(c2nnc(-c3noc(=O)[n-]3)n2C)CC1 ZINC001772177605 1190623212 /nfs/dbraw/zinc/62/32/12/1190623212.db2.gz KQYOIVDAXMAISV-UHFFFAOYSA-N -1 1 310.383 0.738 20 0 DCADMM COCCn1c(Cc2nnn[n-]2)nnc1N1CC[C@H](C)[C@H]1C ZINC001772296472 1190656191 /nfs/dbraw/zinc/65/61/91/1190656191.db2.gz XRXFLRRURRGYDQ-VHSXEESVSA-N -1 1 306.374 0.263 20 0 DCADMM COCCn1c(Cc2nn[n-]n2)nnc1N1CC[C@H](C)[C@H]1C ZINC001772296472 1190656194 /nfs/dbraw/zinc/65/61/94/1190656194.db2.gz XRXFLRRURRGYDQ-VHSXEESVSA-N -1 1 306.374 0.263 20 0 DCADMM CC[C@H]1CCCN(c2nnc(-c3nnn[n-]3)n2CCOC)C1 ZINC001772332633 1190663411 /nfs/dbraw/zinc/66/34/11/1190663411.db2.gz ZKPFBRCTBHTPFU-JTQLQIEISA-N -1 1 306.374 0.731 20 0 DCADMM CC[C@H]1CCCN(c2nnc(-c3nn[n-]n3)n2CCOC)C1 ZINC001772332633 1190663413 /nfs/dbraw/zinc/66/34/13/1190663413.db2.gz ZKPFBRCTBHTPFU-JTQLQIEISA-N -1 1 306.374 0.731 20 0 DCADMM O=C(c1ncc(F)cc1F)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001772462439 1190691195 /nfs/dbraw/zinc/69/11/95/1190691195.db2.gz CBVOVDRXTWKGAK-QMMMGPOBSA-N -1 1 308.292 0.968 20 0 DCADMM C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001772463969 1190691845 /nfs/dbraw/zinc/69/18/45/1190691845.db2.gz NJPAPAHQHBJTIV-SRVKXCTJSA-N -1 1 305.382 0.986 20 0 DCADMM CN(C)C(=O)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001116469474 765873690 /nfs/dbraw/zinc/87/36/90/765873690.db2.gz ABMLZIHFVKNNCN-UHFFFAOYSA-N -1 1 312.178 0.755 20 0 DCADMM C[C@H](C(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001042374373 751609812 /nfs/dbraw/zinc/60/98/12/751609812.db2.gz XDHLLOONSXYQKW-JTQLQIEISA-N -1 1 319.361 0.136 20 0 DCADMM CN(C(=O)C1=CCCCCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001042654339 751811275 /nfs/dbraw/zinc/81/12/75/751811275.db2.gz XUJKEVXFSOBDOD-UHFFFAOYSA-N -1 1 319.409 0.642 20 0 DCADMM CC(C)(C)CC(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1 ZINC001042713079 751858210 /nfs/dbraw/zinc/85/82/10/751858210.db2.gz NSZHUDYOUXICEM-UHFFFAOYSA-N -1 1 321.377 0.527 20 0 DCADMM O=C(C=C1CCC1)N1CC(O)(CNC(=O)c2ncccc2[O-])C1 ZINC001042713274 751858452 /nfs/dbraw/zinc/85/84/52/751858452.db2.gz QYZIYIINRJUXCC-UHFFFAOYSA-N -1 1 317.345 0.201 20 0 DCADMM O=S(=O)([N-]C(CCO)CCO)C(Cl)(Cl)Cl ZINC001238733285 751967465 /nfs/dbraw/zinc/96/74/65/751967465.db2.gz LUMRLHYOSSMABI-UHFFFAOYSA-N -1 1 300.591 0.367 20 0 DCADMM O=C(C1CC1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1Cc1n[nH]c(=O)[n-]1 ZINC001087325706 747662659 /nfs/dbraw/zinc/66/26/59/747662659.db2.gz GYNREYIVVWKVGE-LOWDOPEQSA-N -1 1 317.393 0.589 20 0 DCADMM CCN(C(=O)C1=CCCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000949880814 747705837 /nfs/dbraw/zinc/70/58/37/747705837.db2.gz AAZRFJVFHPTDCW-UHFFFAOYSA-N -1 1 305.382 0.251 20 0 DCADMM O=C(NCCNCc1noc(C2CCC2)n1)c1ncccc1[O-] ZINC001126124609 748229554 /nfs/dbraw/zinc/22/95/54/748229554.db2.gz CTOOLNKQNLJFEP-UHFFFAOYSA-N -1 1 317.349 0.957 20 0 DCADMM COCc1noc([C@@H](C)NCCNC(=O)c2ncccc2[O-])n1 ZINC001126125351 748230083 /nfs/dbraw/zinc/23/00/83/748230083.db2.gz UCKQZEGQTUOKQT-SECBINFHSA-N -1 1 321.337 0.397 20 0 DCADMM CCn1nc(C)c(CNCCNC(=O)c2ncccc2[O-])n1 ZINC001126125295 748230461 /nfs/dbraw/zinc/23/04/61/748230461.db2.gz QSNQRVWRUHCXHU-UHFFFAOYSA-N -1 1 304.354 0.227 20 0 DCADMM Cn1nc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)ccc1=O ZINC001167934520 748627712 /nfs/dbraw/zinc/62/77/12/748627712.db2.gz JWRPMIJVZYRDLB-UHFFFAOYSA-N -1 1 321.273 0.865 20 0 DCADMM Cc1conc1CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001083423454 749271827 /nfs/dbraw/zinc/27/18/27/749271827.db2.gz WOFSEMLWZLNJJO-YPMHNXCESA-N -1 1 318.333 0.059 20 0 DCADMM CN(C)c1nc(NC(=O)Cc2ccn(C)n2)c(N=O)c(=O)[n-]1 ZINC001142055093 749319920 /nfs/dbraw/zinc/31/99/20/749319920.db2.gz FVLAHEFLLIAGTM-UHFFFAOYSA-N -1 1 305.298 0.561 20 0 DCADMM N=C(Nc1cc2c(nn1)CNC2)SCCS(=O)(=O)[O-] ZINC001168090385 749377847 /nfs/dbraw/zinc/37/78/47/749377847.db2.gz HPUVULCYMOGFBJ-UHFFFAOYSA-N -1 1 303.369 0.047 20 0 DCADMM CC(C)CCCN1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001113071132 762122107 /nfs/dbraw/zinc/12/21/07/762122107.db2.gz HRZPNRMTNGSUAJ-UHFFFAOYSA-N -1 1 309.370 0.477 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)C1CN(CC=C(C)C)C1 ZINC001044182026 752613080 /nfs/dbraw/zinc/61/30/80/752613080.db2.gz NNWSVEIWBOSEBQ-UHFFFAOYSA-N -1 1 322.365 0.619 20 0 DCADMM C[C@@H](Oc1cccc(F)c1)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001127978907 752639843 /nfs/dbraw/zinc/63/98/43/752639843.db2.gz KYQSITOKWQBUND-SECBINFHSA-N -1 1 323.328 0.323 20 0 DCADMM Cc1cccc(CO[N-]C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)n1 ZINC001168634474 752780540 /nfs/dbraw/zinc/78/05/40/752780540.db2.gz QPLLOYHSECIXKF-UHFFFAOYSA-N -1 1 304.306 0.690 20 0 DCADMM Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3cnon3)C[C@@H]2C)c1[O-] ZINC001044551503 752782848 /nfs/dbraw/zinc/78/28/48/752782848.db2.gz VPTNWWWIIUVNCN-WCBMZHEXSA-N -1 1 320.353 0.590 20 0 DCADMM Cc1ccc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)o1 ZINC001044916405 752930608 /nfs/dbraw/zinc/93/06/08/752930608.db2.gz ZWYJLXKSVDLCLU-JTQLQIEISA-N -1 1 305.338 0.806 20 0 DCADMM C[C@@H](CCNC(=O)c1ncccn1)NC(=O)c1ncccc1[O-] ZINC001078000358 752968088 /nfs/dbraw/zinc/96/80/88/752968088.db2.gz VGYUDYFDDWIZAW-JTQLQIEISA-N -1 1 315.333 0.516 20 0 DCADMM O=C([C@H]1CCCOCC1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045015439 752998051 /nfs/dbraw/zinc/99/80/51/752998051.db2.gz AZQHJOWCYIOCDW-RYUDHWBXSA-N -1 1 323.397 0.408 20 0 DCADMM CC(C)(C)C(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078501232 753275645 /nfs/dbraw/zinc/27/56/45/753275645.db2.gz GLYWNYUVWNPNMC-JTQLQIEISA-N -1 1 311.386 0.264 20 0 DCADMM CC1CC(C(=O)N[C@]2(C)CCN(Cc3nc(=O)n(C)[n-]3)C2)C1 ZINC001046226782 753572059 /nfs/dbraw/zinc/57/20/59/753572059.db2.gz LRYPSWPEWOOTAW-QKFMDRJYSA-N -1 1 307.398 0.235 20 0 DCADMM COC(=O)c1nc2nc(NC[C@@H]3CC(=O)N(C)C3)ccc2[nH]1 ZINC001168727623 753884635 /nfs/dbraw/zinc/88/46/35/753884635.db2.gz TWVWZNDUHNBUAP-QMMMGPOBSA-N -1 1 303.322 0.635 20 0 DCADMM CCCOCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001071953382 762253082 /nfs/dbraw/zinc/25/30/82/762253082.db2.gz YOQZPVGUWAAEDH-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM CC(=O)NCC1(NC(=O)c2cnc(C3CC3)[n-]c2=O)CCC1 ZINC001062374759 754705315 /nfs/dbraw/zinc/70/53/15/754705315.db2.gz PWKRWYWXGJLFLA-UHFFFAOYSA-N -1 1 304.350 0.848 20 0 DCADMM Cc1nccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ncccc2[O-])n1 ZINC001062479913 754761040 /nfs/dbraw/zinc/76/10/40/754761040.db2.gz SAOOIBLYRLHQBY-RYUDHWBXSA-N -1 1 311.345 0.989 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1nc(=O)n(C)[n-]1 ZINC001049651835 755348761 /nfs/dbraw/zinc/34/87/61/755348761.db2.gz NFOWQVOOVCNDDS-ZDEQEGDKSA-N -1 1 319.409 0.330 20 0 DCADMM CCN(C(=O)CCOC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079178777 755732559 /nfs/dbraw/zinc/73/25/59/755732559.db2.gz UXJBDGIVJWALTH-UHFFFAOYSA-N -1 1 307.350 0.497 20 0 DCADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001079584841 755917899 /nfs/dbraw/zinc/91/78/99/755917899.db2.gz DYAHLQQREJKFCE-OUAUKWLOSA-N -1 1 307.398 0.091 20 0 DCADMM C[C@@H]1CN(Cc2ccnn2C)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079611313 755923843 /nfs/dbraw/zinc/92/38/43/755923843.db2.gz XWQZGUDVLCLLAS-DGCLKSJQSA-N -1 1 315.377 0.771 20 0 DCADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)COC(C)C)C1 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CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573429008 948170313 /nfs/dbraw/zinc/17/03/13/948170313.db2.gz GAWHEYBXWMGHBI-PHIMTYICSA-N -1 1 314.353 0.246 20 0 DCADMM CC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573439210 948245246 /nfs/dbraw/zinc/24/52/46/948245246.db2.gz JPHNJUSLRLQWRR-QWRGUYRKSA-N -1 1 314.353 0.104 20 0 DCADMM CC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573439210 948245252 /nfs/dbraw/zinc/24/52/52/948245252.db2.gz JPHNJUSLRLQWRR-QWRGUYRKSA-N -1 1 314.353 0.104 20 0 DCADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1cnon1 ZINC001487754556 948264816 /nfs/dbraw/zinc/26/48/16/948264816.db2.gz AVSHVLTXKLYVDX-MRVPVSSYSA-N -1 1 305.294 0.061 20 0 DCADMM CC(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573441281 948267080 /nfs/dbraw/zinc/26/70/80/948267080.db2.gz GWGFXUVIJQEHGS-JTQLQIEISA-N -1 1 302.342 0.470 20 0 DCADMM CC(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573441281 948267086 /nfs/dbraw/zinc/26/70/86/948267086.db2.gz 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948590370 /nfs/dbraw/zinc/59/03/70/948590370.db2.gz XSRXTAWPCNRQEW-NSHDSACASA-N -1 1 304.299 0.107 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ccnc(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001570919703 948590976 /nfs/dbraw/zinc/59/09/76/948590976.db2.gz ZMNIJHZHTFWDAC-IQIPOGNMSA-N -1 1 314.349 0.683 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001570919703 948590979 /nfs/dbraw/zinc/59/09/79/948590979.db2.gz ZMNIJHZHTFWDAC-IQIPOGNMSA-N -1 1 314.349 0.683 20 0 DCADMM O=C(NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001570919651 948591074 /nfs/dbraw/zinc/59/10/74/948591074.db2.gz XTPLWAJUGOLSDD-VIFPVBQESA-N -1 1 314.353 0.009 20 0 DCADMM Cc1c(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cnn1C ZINC001570920482 948599599 /nfs/dbraw/zinc/59/95/99/948599599.db2.gz PMENWNYUIDTCIL-UHFFFAOYSA-N -1 1 314.309 0.570 20 0 DCADMM CCCC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001570920981 948611748 /nfs/dbraw/zinc/61/17/48/948611748.db2.gz IYLUQJKGWNEQCS-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2C[C@@H]3CCCC[C@H]23)c(-c2nn[n-]n2)c1=O ZINC001570921134 948615065 /nfs/dbraw/zinc/61/50/65/948615065.db2.gz OVUJKXQKXQDELP-XHNCKOQMSA-N -1 1 317.353 0.657 20 0 DCADMM CCC(=O)N[C@@H]1[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001570921751 948626269 /nfs/dbraw/zinc/62/62/69/948626269.db2.gz NLESMABHRRBYHO-VROVMSAKSA-N -1 1 319.394 0.592 20 0 DCADMM CC(C)(C)c1nnc(Sc2nnccc2-c2nn[n-]n2)n1N ZINC001570921761 948626603 /nfs/dbraw/zinc/62/66/03/948626603.db2.gz NRGSLNKEBOBCKR-UHFFFAOYSA-N -1 1 318.370 0.411 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](C(=O)N(C)C)C1 ZINC001570921756 948626869 /nfs/dbraw/zinc/62/68/69/948626869.db2.gz NNURSCNYUZKJOZ-SECBINFHSA-N -1 1 318.337 0.318 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](C(=O)N(C)C)C1 ZINC001570921756 948626874 /nfs/dbraw/zinc/62/68/74/948626874.db2.gz NNURSCNYUZKJOZ-SECBINFHSA-N -1 1 318.337 0.318 20 0 DCADMM O=S(=O)(NC[C@]12C[C@H]1CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001570921974 948631170 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O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc2n(n1)CCCC2=O ZINC001570922958 948650561 /nfs/dbraw/zinc/65/05/61/948650561.db2.gz QIEJDZQIIXYNGA-UHFFFAOYSA-N -1 1 324.304 0.687 20 0 DCADMM COc1ncc(NC(=O)N[C@@H](C)CCCO)cc1-c1nn[n-]n1 ZINC001570922984 948650826 /nfs/dbraw/zinc/65/08/26/948650826.db2.gz RCQVQLLWMXWVST-QMMMGPOBSA-N -1 1 321.341 0.553 20 0 DCADMM C[C@@H](C(=O)NCCn1cnc(-c2nn[n-]n2)n1)[C@H](C)C(C)(C)C ZINC001570923030 948653064 /nfs/dbraw/zinc/65/30/64/948653064.db2.gz RSZJLHIWTPUSHY-ZJUUUORDSA-N -1 1 320.401 0.893 20 0 DCADMM CC(C)Cn1c(-c2nnn[n-]2)nnc1N(C)CC1=CCCOC1 ZINC001263421346 948723804 /nfs/dbraw/zinc/72/38/04/948723804.db2.gz OLYKFXFZFSCAEE-UHFFFAOYSA-N -1 1 318.385 0.897 20 0 DCADMM CC(C)Cn1c(-c2nn[n-]n2)nnc1N(C)CC1=CCCOC1 ZINC001263421346 948723810 /nfs/dbraw/zinc/72/38/10/948723810.db2.gz OLYKFXFZFSCAEE-UHFFFAOYSA-N -1 1 318.385 0.897 20 0 DCADMM C[C@H](OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1cnccn1 ZINC001573755712 948778667 /nfs/dbraw/zinc/77/86/67/948778667.db2.gz 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C[C@@H](NC(=O)C1(C)CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575256453 949251360 /nfs/dbraw/zinc/25/13/60/949251360.db2.gz VMHSQBOHUTUOIV-DTWKUNHWSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@@H](NC(=O)C1(C)CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575256453 949251374 /nfs/dbraw/zinc/25/13/74/949251374.db2.gz VMHSQBOHUTUOIV-DTWKUNHWSA-N -1 1 316.369 0.762 20 0 DCADMM CC(C)(C)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573794171 949311452 /nfs/dbraw/zinc/31/14/52/949311452.db2.gz BKZBMCGWWQCZAB-VIFPVBQESA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)(C)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573794171 949311471 /nfs/dbraw/zinc/31/14/71/949311471.db2.gz BKZBMCGWWQCZAB-VIFPVBQESA-N -1 1 316.369 0.716 20 0 DCADMM C[C@@H]1CCCc2ncc(C(=O)N3CC[C@H](c4nn[n-]n4)C3)n21 ZINC001548761778 1013092428 /nfs/dbraw/zinc/09/24/28/1013092428.db2.gz HKDINGSDGSISCD-ZJUUUORDSA-N -1 1 301.354 0.923 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n[n-]1 ZINC001364509880 949453626 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CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001589626924 949493490 /nfs/dbraw/zinc/49/34/90/949493490.db2.gz SXQBZRQUTWGVGW-LBPRGKRZSA-N -1 1 313.398 0.603 20 0 DCADMM CC[C@H]1CN(C)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001589626924 949493506 /nfs/dbraw/zinc/49/35/06/949493506.db2.gz SXQBZRQUTWGVGW-LBPRGKRZSA-N -1 1 313.398 0.603 20 0 DCADMM O=C(CNC(=O)c1ccccc1)N1CCC(c2nn[n-]n2)CC1 ZINC001364531423 949503099 /nfs/dbraw/zinc/50/30/99/949503099.db2.gz VUYKWSBWJXUHEU-UHFFFAOYSA-N -1 1 314.349 0.336 20 0 DCADMM C[C@@H](NC(=O)CC1CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575269970 949565935 /nfs/dbraw/zinc/56/59/35/949565935.db2.gz XTXBJOMAYQBKLZ-BDAKNGLRSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@@H](NC(=O)CC1CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575269970 949565958 /nfs/dbraw/zinc/56/59/58/949565958.db2.gz XTXBJOMAYQBKLZ-BDAKNGLRSA-N -1 1 316.369 0.762 20 0 DCADMM O=C([C@@H]1COc2cc(F)ccc2C1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548763097 1013093743 /nfs/dbraw/zinc/09/37/43/1013093743.db2.gz 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300.355 0.539 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN1CCN(C)C[C@H]1C(C)C)C(=O)[O-] ZINC001594894556 982323242 /nfs/dbraw/zinc/32/32/42/982323242.db2.gz USCKWNQDSBLDOV-KCQAQPDRSA-N -1 1 313.442 0.874 20 0 DCADMM CCCN(C(=O)C(=O)NCCCCC(=O)[O-])[C@H]1CCN(C)C1 ZINC001595810219 982643666 /nfs/dbraw/zinc/64/36/66/982643666.db2.gz HWZYIXPMLOTDCW-LBPRGKRZSA-N -1 1 313.398 0.300 20 0 DCADMM CCCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1cn(C)nc1C ZINC001595882042 982891962 /nfs/dbraw/zinc/89/19/62/982891962.db2.gz BWHYETFSJUGSGP-UONOGXRCSA-N -1 1 322.409 0.777 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)/C=C\c3cncc(F)c3)nc2n1 ZINC001524233533 1014901445 /nfs/dbraw/zinc/90/14/45/1014901445.db2.gz GRJJJUTVQMJTTD-IHWYPQMZSA-N -1 1 314.280 0.912 20 0 DCADMM CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](CCC(=O)[O-])C(=O)OC)C1 ZINC001595916421 983025353 /nfs/dbraw/zinc/02/53/53/983025353.db2.gz TUJYMYIEVVNION-NEPJUHHUSA-N -1 1 314.382 0.631 20 0 DCADMM CCCNC(=O)[C@@H]1CCCN([C@@H](CCC(=O)[O-])C(=O)OC)C1 ZINC001595916421 983025363 /nfs/dbraw/zinc/02/53/63/983025363.db2.gz TUJYMYIEVVNION-NEPJUHHUSA-N -1 1 314.382 0.631 20 0 DCADMM C[C@@H](N[C@H]1CCCC[C@H]1C(=O)[O-])c1nc(N)nc(N(C)C)n1 ZINC001573579003 983064634 /nfs/dbraw/zinc/06/46/34/983064634.db2.gz PJSNWRWADMLJDB-BBBLOLIVSA-N -1 1 308.386 0.814 20 0 DCADMM CC[C@H](C)N(CCO)CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001573680067 983083555 /nfs/dbraw/zinc/08/35/55/983083555.db2.gz ZISGWSDQGMSZBB-VIFPVBQESA-N -1 1 315.395 0.802 20 0 DCADMM CCN(CC(=O)[O-])C(=O)c1n[nH]cc1I ZINC001596221409 983612069 /nfs/dbraw/zinc/61/20/69/983612069.db2.gz MWXDRSJBBWYIGO-UHFFFAOYSA-N -1 1 323.090 0.561 20 0 DCADMM Cn1cc([C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2CO)cn1 ZINC001551141846 1014976156 /nfs/dbraw/zinc/97/61/56/1014976156.db2.gz LXPCVSFURPPDFI-NWDGAFQWSA-N -1 1 302.334 0.369 20 0 DCADMM CCN1CCC(NS(=O)(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001596411050 984005796 /nfs/dbraw/zinc/00/57/96/984005796.db2.gz ZTCVFAHFYZFGPZ-UHFFFAOYSA-N -1 1 313.379 0.542 20 0 DCADMM CC(C)OCC(=O)N[C@@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001450308622 1015034833 /nfs/dbraw/zinc/03/48/33/1015034833.db2.gz ZUGSYBOMALJAHO-NSHDSACASA-N -1 1 321.377 0.789 20 0 DCADMM C[C@H](C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1)N(C)C ZINC001599885560 984632540 /nfs/dbraw/zinc/63/25/40/984632540.db2.gz JWJHBKZHYSSATQ-DDTOSNHZSA-N -1 1 306.362 0.969 20 0 DCADMM C/C(=C/CN1CCC[C@@H](N2CCCS2(=O)=O)C1)C(=O)[O-] ZINC001588959524 984725319 /nfs/dbraw/zinc/72/53/19/984725319.db2.gz MBYSUXFSWKJWKP-DKRCXCIFSA-N -1 1 302.396 0.517 20 0 DCADMM COCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001383519959 984912962 /nfs/dbraw/zinc/91/29/62/984912962.db2.gz WWBKLJMFENNNDN-MNOVXSKESA-N -1 1 309.366 0.837 20 0 DCADMM C/C(=C\COC(=O)c1ccc(NS(C)(=O)=O)nc1)C(=O)[O-] ZINC001588992370 984919318 /nfs/dbraw/zinc/91/93/18/984919318.db2.gz ZGTRGNLWMOSHPT-VMPITWQZSA-N -1 1 314.319 0.641 20 0 DCADMM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)N1CCC(=O)NCC(=O)[O-] ZINC001599906926 984935398 /nfs/dbraw/zinc/93/53/98/984935398.db2.gz UEQRCPZNFSUSOI-QWRGUYRKSA-N -1 1 314.382 0.772 20 0 DCADMM C[C@H](CN(C)C(=O)c1cnsn1)NC(=O)c1ncccc1[O-] ZINC001383659166 984976812 /nfs/dbraw/zinc/97/68/12/984976812.db2.gz BDGQDAAFQKGELV-MRVPVSSYSA-N -1 1 321.362 0.529 20 0 DCADMM C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCN1 ZINC001599914434 985035300 /nfs/dbraw/zinc/03/53/00/985035300.db2.gz YLZOVSHEBVPGTJ-JTQLQIEISA-N -1 1 305.334 0.073 20 0 DCADMM CCN(C(=O)[C@@H]1CCOC1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001383718307 985039964 /nfs/dbraw/zinc/03/99/64/985039964.db2.gz PWCYZBJGVIZRJE-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM CCOC(=O)c1nnc(C[NH2+][C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)[n-]1 ZINC001596749709 985091701 /nfs/dbraw/zinc/09/17/01/985091701.db2.gz ZRGDTHQXWXDXHJ-AATLWQCWSA-N -1 1 308.338 0.570 20 0 DCADMM C[C@H]1CN(C(=O)NCc2n[nH]c(C3CC3)n2)C[C@@H](C(=O)[O-])O1 ZINC001599921716 985143969 /nfs/dbraw/zinc/14/39/69/985143969.db2.gz KSMCDYLOSPXIHW-CBAPKCEASA-N -1 1 309.326 0.066 20 0 DCADMM CC(F)(F)CC(=O)N[C@@H](CO)CNC(=O)c1ncccc1[O-] ZINC001383907579 985189050 /nfs/dbraw/zinc/18/90/50/985189050.db2.gz WVIMURZZCHYKGA-MRVPVSSYSA-N -1 1 317.292 0.039 20 0 DCADMM CCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001383997333 985264327 /nfs/dbraw/zinc/26/43/27/985264327.db2.gz KARIVNORSBIOPU-NQBHXWOUSA-N -1 1 321.377 0.525 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc3ncnn32)CCN1CCC(=O)[O-] ZINC001594494934 985631863 /nfs/dbraw/zinc/63/18/63/985631863.db2.gz YGBJFSRVRNFZLD-LLVKDONJSA-N -1 1 317.349 0.350 20 0 DCADMM COCC(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001384695125 985745696 /nfs/dbraw/zinc/74/56/96/985745696.db2.gz FIZQEJVWGMUJHH-VXGBXAGGSA-N -1 1 321.377 0.648 20 0 DCADMM C[C@H]1CN(CC(=O)NCCC(=O)[O-])CCN1Cc1ccccc1 ZINC001594508563 985752104 /nfs/dbraw/zinc/75/21/04/985752104.db2.gz XOXAJDSPPHVLCT-AWEZNQCLSA-N -1 1 319.405 0.784 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1cn(C)cn1 ZINC001594514009 985819536 /nfs/dbraw/zinc/81/95/36/985819536.db2.gz BXGHODIYICYPQT-VSQXVHSFSA-N -1 1 306.366 0.441 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1cccc(O)c1 ZINC001594516862 985919751 /nfs/dbraw/zinc/91/97/51/985919751.db2.gz UPHKURDJBAKJMO-LBPRGKRZSA-N -1 1 306.362 0.942 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@H](C)Nc2ccnc(C(=O)[O-])n2)c1C ZINC001599967453 985933644 /nfs/dbraw/zinc/93/36/44/985933644.db2.gz PJFLEIVXPLPWJB-ZETCQYMHSA-N -1 1 318.337 0.167 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cnn2c1NCCC2 ZINC001594521543 985993164 /nfs/dbraw/zinc/99/31/64/985993164.db2.gz GVQSUXSZYYBOAJ-LLVKDONJSA-N -1 1 321.381 0.320 20 0 DCADMM CCOCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1CC ZINC001385029926 986029044 /nfs/dbraw/zinc/02/90/44/986029044.db2.gz AQLICPQZZSCOHQ-NWDGAFQWSA-N -1 1 321.377 0.933 20 0 DCADMM CC[C@H](CNC(=O)Cc1c[nH]cn1)NC(=O)c1ncccc1[O-] ZINC001531518517 1015186355 /nfs/dbraw/zinc/18/63/55/1015186355.db2.gz MCECIMMGNWVIAX-SNVBAGLBSA-N -1 1 317.349 0.378 20 0 DCADMM COCC(=O)N[C@@H](C)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001385539613 986413180 /nfs/dbraw/zinc/41/31/80/986413180.db2.gz VCDMRJBQEGASFM-NWDGAFQWSA-N -1 1 321.377 0.933 20 0 DCADMM C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001589375291 986431682 /nfs/dbraw/zinc/43/16/82/986431682.db2.gz SWCFDSQGEAOOIS-JKDFXYPNSA-N -1 1 318.373 0.874 20 0 DCADMM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001589401648 986573299 /nfs/dbraw/zinc/57/32/99/986573299.db2.gz VEMIIUKGAYIIEZ-MRVWCRGKSA-N -1 1 306.362 0.111 20 0 DCADMM Cc1cc(CC(=O)N[C@H](C)CNC(=O)c2ncccc2O)[nH]n1 ZINC001386234659 986982217 /nfs/dbraw/zinc/98/22/17/986982217.db2.gz DQBBSHCCZUYFDZ-SNVBAGLBSA-N -1 1 317.349 0.296 20 0 DCADMM Cc1cc(CC(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])n[nH]1 ZINC001386234659 986982228 /nfs/dbraw/zinc/98/22/28/986982228.db2.gz DQBBSHCCZUYFDZ-SNVBAGLBSA-N -1 1 317.349 0.296 20 0 DCADMM Cc1cc(CC(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])[nH]n1 ZINC001386234659 986982237 /nfs/dbraw/zinc/98/22/37/986982237.db2.gz DQBBSHCCZUYFDZ-SNVBAGLBSA-N -1 1 317.349 0.296 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccncc1 ZINC001386236135 986983511 /nfs/dbraw/zinc/98/35/11/986983511.db2.gz HWYNQNGNPSFPDL-JTQLQIEISA-N -1 1 300.318 0.731 20 0 DCADMM C[C@H](CNC(=O)C[C@@H]1CCCOC1)NC(=O)c1ncccc1[O-] ZINC001386263950 987013634 /nfs/dbraw/zinc/01/36/34/987013634.db2.gz BXTVPXBDHBMBFT-NEPJUHHUSA-N -1 1 321.377 0.838 20 0 DCADMM CCOc1nc(N2CCN(CC(=O)[O-])CC2)ncc1Cl ZINC001597193958 987081947 /nfs/dbraw/zinc/08/19/47/987081947.db2.gz SUSYKOAGMFSARO-UHFFFAOYSA-N -1 1 300.746 0.735 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)Cc1ccoc1 ZINC001386853586 987454074 /nfs/dbraw/zinc/45/40/74/987454074.db2.gz WJNFUTHFXCAPLM-UHFFFAOYSA-N -1 1 303.318 0.811 20 0 DCADMM CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001589813766 988239145 /nfs/dbraw/zinc/23/91/45/988239145.db2.gz BFDYKCOIVDBJAA-MRVPVSSYSA-N -1 1 316.383 0.259 20 0 DCADMM CCOCCN(CC)c1nnc(Cc2nnn[n-]2)n1CC1CC1 ZINC001527067301 1015378157 /nfs/dbraw/zinc/37/81/57/1015378157.db2.gz ZYRAHOLMBQBDDX-UHFFFAOYSA-N -1 1 320.401 0.655 20 0 DCADMM CCOCCN(CC)c1nnc(Cc2nn[n-]n2)n1CC1CC1 ZINC001527067301 1015378168 /nfs/dbraw/zinc/37/81/68/1015378168.db2.gz ZYRAHOLMBQBDDX-UHFFFAOYSA-N -1 1 320.401 0.655 20 0 DCADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1n[nH]cc1F ZINC001450897755 1015434108 /nfs/dbraw/zinc/43/41/08/1015434108.db2.gz JUEDPGKZVVYITE-QMMMGPOBSA-N -1 1 321.312 0.588 20 0 DCADMM Cc1[nH]nc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])c1C ZINC001389170562 988945714 /nfs/dbraw/zinc/94/57/14/988945714.db2.gz KVORQPHQLCTDLA-MRVPVSSYSA-N -1 1 317.349 0.675 20 0 DCADMM CCc1nnc(CNCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])s1 ZINC001597728788 989029489 /nfs/dbraw/zinc/02/94/89/989029489.db2.gz MJJLBDNUKHPACG-BDAKNGLRSA-N -1 1 312.395 0.417 20 0 DCADMM CC[C@H](F)C(=O)N(C)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001389326893 989122807 /nfs/dbraw/zinc/12/28/07/989122807.db2.gz LYTHQPNCFKEBNM-NSHDSACASA-N -1 1 313.377 0.279 20 0 DCADMM C[C@@H]1CN(C(=O)c2cc(F)cc3nn[nH]c32)C[C@@H](C(=O)[O-])O1 ZINC001599862719 989195922 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Cc1noc([C@@H](C)NC[C@H](C)CNC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001444297646 1010947455 /nfs/dbraw/zinc/94/74/55/1010947455.db2.gz NIZFHIFRTLMEEN-IONNQARKSA-N -1 1 322.369 0.832 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)c1ccccc1F ZINC001444571539 1011066374 /nfs/dbraw/zinc/06/63/74/1011066374.db2.gz RNUOMMKKPZJIFS-VIFPVBQESA-N -1 1 307.329 0.900 20 0 DCADMM Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2ncccc2[O-])o1 ZINC001533168340 1011211173 /nfs/dbraw/zinc/21/11/73/1011211173.db2.gz ONFADDUCJIIBIQ-JTQLQIEISA-N -1 1 319.317 0.209 20 0 DCADMM CC(C)(C)CC(=O)NC[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001533179009 1011218954 /nfs/dbraw/zinc/21/89/54/1011218954.db2.gz HAMIVOFQWFSWOU-SNVBAGLBSA-N -1 1 309.366 0.430 20 0 DCADMM C[C@@H](CNC(=O)CC1=CCOCC1)NC(=O)c1ncccc1[O-] ZINC001534079676 1011540820 /nfs/dbraw/zinc/54/08/20/1011540820.db2.gz XZOFABUZOQWLNH-NSHDSACASA-N -1 1 319.361 0.759 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)c3csc(=O)[nH]3)nc2n1 ZINC001534149009 1011551276 /nfs/dbraw/zinc/55/12/76/1011551276.db2.gz SXKYHOMVYGQRMV-UHFFFAOYSA-N -1 1 306.307 0.394 20 0 DCADMM COC(=O)C1(S(=O)(=O)[N-][C@H](C)c2nnc(C)o2)CCC1 ZINC001423816046 1011601055 /nfs/dbraw/zinc/60/10/55/1011601055.db2.gz XNELQMZKZWHEJL-SSDOTTSWSA-N -1 1 303.340 0.454 20 0 DCADMM CCOCCCC(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001534698977 1011626269 /nfs/dbraw/zinc/62/62/69/1011626269.db2.gz SWNVAUHPLAUWCW-GFCCVEGCSA-N -1 1 321.377 0.935 20 0 DCADMM COCCOCCC(=O)Nc1[n-]c(C(=O)OC)cc1C(C)=O ZINC001534720002 1011638129 /nfs/dbraw/zinc/63/81/29/1011638129.db2.gz YAFKBGGUEFHIOC-UHFFFAOYSA-N -1 1 312.322 0.996 20 0 DCADMM CCC[C@H](OC)C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001534777535 1011669622 /nfs/dbraw/zinc/66/96/22/1011669622.db2.gz WEXNWRCUUDJABZ-YPMHNXCESA-N -1 1 321.377 0.933 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001445419250 1011752030 /nfs/dbraw/zinc/75/20/30/1011752030.db2.gz KYRGLSUFEXUXJG-KKOKHZNYSA-N -1 1 307.398 0.931 20 0 DCADMM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001457968027 1012003937 /nfs/dbraw/zinc/00/39/37/1012003937.db2.gz KPNPRJAPWPXHMK-QWRGUYRKSA-N -1 1 323.393 0.676 20 0 DCADMM COCC1(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])CC1 ZINC001424132003 1012054223 /nfs/dbraw/zinc/05/42/23/1012054223.db2.gz WXUQVVRZWKHGBQ-LLVKDONJSA-N -1 1 321.377 0.791 20 0 DCADMM CNC(=O)CCCCC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001556270577 1012194049 /nfs/dbraw/zinc/19/40/49/1012194049.db2.gz XJQJXTGOUMOYGQ-VIFPVBQESA-N -1 1 312.399 0.123 20 0 DCADMM O=C(NCC1(O)CCOCC1)c1ccc2n[n-]c(=S)n2c1 ZINC001556247292 1012196022 /nfs/dbraw/zinc/19/60/22/1012196022.db2.gz XTBWZXJDSLCFDL-UHFFFAOYSA-N -1 1 308.363 0.289 20 0 DCADMM CCC(CC)(NC(=O)c1cccc2n[nH]nc21)c1nn[n-]n1 ZINC001556494982 1012210935 /nfs/dbraw/zinc/21/09/35/1012210935.db2.gz NBTWXVKGPOMIHM-UHFFFAOYSA-N -1 1 300.326 0.916 20 0 DCADMM COCC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001458578482 1012220721 /nfs/dbraw/zinc/22/07/21/1012220721.db2.gz GTQWVWCXFONFHV-NEPJUHHUSA-N -1 1 321.377 0.838 20 0 DCADMM C[C@H]1CO[C@@H](C(=O)NCC2(NC(=O)c3ncccc3[O-])CC2)C1 ZINC001432265871 1012229247 /nfs/dbraw/zinc/22/92/47/1012229247.db2.gz AONWMLPNFYPNPC-ZYHUDNBSSA-N -1 1 319.361 0.591 20 0 DCADMM COc1cc(S(=O)(=O)[N-]C2CCN(OC)CC2)sn1 ZINC001424252778 1012239535 /nfs/dbraw/zinc/23/95/35/1012239535.db2.gz SVJMZBGKAYHXAP-UHFFFAOYSA-N -1 1 307.397 0.456 20 0 DCADMM Cn1cc(C=CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cn1 ZINC001557722214 1012293326 /nfs/dbraw/zinc/29/33/26/1012293326.db2.gz GDVVJIKKEBLESM-NPQIQWPPSA-N -1 1 309.333 0.852 20 0 DCADMM O=C(CCc1nc2cccnc2[nH]1)NCc1nc([O-])cc(=O)[nH]1 ZINC001557703078 1012295254 /nfs/dbraw/zinc/29/52/54/1012295254.db2.gz IIBGKBWNUQRYJK-UHFFFAOYSA-N -1 1 314.305 0.408 20 0 DCADMM CCc1c[nH]c(CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)n1 ZINC001557721605 1012295342 /nfs/dbraw/zinc/29/53/42/1012295342.db2.gz BRMFPOOLMFSMGP-CQSZACIVSA-N -1 1 311.349 0.934 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NCCn2ccc(=O)[nH]c2=O)c1 ZINC001558338324 1012341741 /nfs/dbraw/zinc/34/17/41/1012341741.db2.gz VVQQURGGTJJSOT-UHFFFAOYSA-N -1 1 317.301 0.205 20 0 DCADMM C[C@H](C(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001558346747 1012350639 /nfs/dbraw/zinc/35/06/39/1012350639.db2.gz RLZPZXGDHPGUMG-QWRGUYRKSA-N -1 1 323.397 0.959 20 0 DCADMM O=C(COCCNC(=O)c1ccccc1)Nc1c[n-][nH]c1=O ZINC001558988440 1012400117 /nfs/dbraw/zinc/40/01/17/1012400117.db2.gz QRMNNRNUEGCHQN-UHFFFAOYSA-N -1 1 304.306 0.500 20 0 DCADMM CS[C@H](C)C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001458922425 1012468311 /nfs/dbraw/zinc/46/83/11/1012468311.db2.gz CITOLAJDIRMDBD-SECBINFHSA-N -1 1 309.391 0.917 20 0 DCADMM COc1cc(S(=O)(=O)[N-]CCOCC(F)F)sn1 ZINC001561475240 1012471134 /nfs/dbraw/zinc/47/11/34/1012471134.db2.gz FWYKOVSXNHOIBK-UHFFFAOYSA-N -1 1 302.324 0.712 20 0 DCADMM COc1cc(S(=O)(=O)[N-]CCOC(=O)C2CC2)sn1 ZINC001561640391 1012472417 /nfs/dbraw/zinc/47/24/17/1012472417.db2.gz IWLOPQIQBJDJFS-UHFFFAOYSA-N -1 1 306.365 0.383 20 0 DCADMM O=C(CCc1nn[n-]n1)NCCOc1ccc2c(c1)OCO2 ZINC001542058576 1012479820 /nfs/dbraw/zinc/47/98/20/1012479820.db2.gz LEEZZWLJLZTZOE-UHFFFAOYSA-N -1 1 305.294 0.056 20 0 DCADMM COc1ccc(C=O)cc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001542945959 1012492983 /nfs/dbraw/zinc/49/29/83/1012492983.db2.gz BMFWFKBQFYLNAI-GFCCVEGCSA-N -1 1 317.305 0.235 20 0 DCADMM Cc1cc(CCC(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)no1 ZINC001544981952 1012550955 /nfs/dbraw/zinc/55/09/55/1012550955.db2.gz HQJWDVASLYKALS-UHFFFAOYSA-N -1 1 302.294 0.594 20 0 DCADMM COc1ccc(CC(=O)N2CC[C@H](c3nn[n-]n3)C2)cc1OC ZINC001548499282 1012662340 /nfs/dbraw/zinc/66/23/40/1012662340.db2.gz IBOBQVHUQWQSLA-NSHDSACASA-N -1 1 317.349 0.776 20 0 DCADMM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548499296 1012663061 /nfs/dbraw/zinc/66/30/61/1012663061.db2.gz IFYQAKSPEXSFRR-OPQQBVKSSA-N -1 1 315.333 0.744 20 0 DCADMM CCO[C@@H](C)C(=O)N1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001459397605 1012705258 /nfs/dbraw/zinc/70/52/58/1012705258.db2.gz WVLSKKYOXRGDDT-MEDUHNTESA-N -1 1 321.377 0.933 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC001548661419 1012909898 /nfs/dbraw/zinc/90/98/98/1012909898.db2.gz CEBFEUHERPHABK-FTLITQJKSA-N -1 1 322.390 0.518 20 0 DCADMM O=C(NCCN(C(=O)c1cocn1)C1CC1)c1ncccc1[O-] ZINC001429885776 1012913158 /nfs/dbraw/zinc/91/31/58/1012913158.db2.gz SNOZEMSVWHDRBA-UHFFFAOYSA-N -1 1 316.317 0.810 20 0 DCADMM O=C(N[C@H](CNC(=O)c1ncccc1[O-])C1CC1)c1cn[nH]c1 ZINC001429958915 1012996376 /nfs/dbraw/zinc/99/63/76/1012996376.db2.gz YCNWICHQYNUIOP-LLVKDONJSA-N -1 1 315.333 0.449 20 0 DCADMM CCO[C@H](C)C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001506275332 1017166573 /nfs/dbraw/zinc/16/65/73/1017166573.db2.gz IHMUBVACSUCMLD-SNVBAGLBSA-N -1 1 307.350 0.495 20 0 DCADMM CSCC[C@H](NC(=O)Nc1ccnc(C)c1)c1nn[n-]n1 ZINC001476301239 1017187771 /nfs/dbraw/zinc/18/77/71/1017187771.db2.gz HVQSLTNBUYWUEK-JTQLQIEISA-N -1 1 307.383 0.941 20 0 DCADMM C[C@@H]1CN(C(=O)NCCCCC(=O)[O-])[C@@H](C)CN1CCO ZINC001521217123 1017337438 /nfs/dbraw/zinc/33/74/38/1017337438.db2.gz NEEIEYILXNCENN-NEPJUHHUSA-N -1 1 301.387 0.338 20 0 DCADMM Cc1ccc(C[C@H](C)NC(=O)[C@]2(C(=O)[O-])CNCCO2)c(C)c1 ZINC001521325510 1017348673 /nfs/dbraw/zinc/34/86/73/1017348673.db2.gz HMNISOYXQXYCMA-GUYCJALGSA-N -1 1 320.389 0.794 20 0 DCADMM CCC1(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H]2C)CC1 ZINC001479719439 1017673628 /nfs/dbraw/zinc/67/36/28/1017673628.db2.gz YFBHRYIBLKCXOQ-MNOVXSKESA-N -1 1 307.398 0.378 20 0 DCADMM CO[C@H](C)CC(=O)N(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001507003104 1017751816 /nfs/dbraw/zinc/75/18/16/1017751816.db2.gz RJKBJWPEKIWKOK-KOLCDFICSA-N -1 1 311.386 0.262 20 0 DCADMM Cn1[n-]c(CN2CC[C@](C)(NC(=O)CCC(F)F)C2)nc1=O ZINC001500243264 1018343287 /nfs/dbraw/zinc/34/32/87/1018343287.db2.gz ZRTASYHHHCLATN-ZDUSSCGKSA-N -1 1 317.340 0.234 20 0 DCADMM C[C@H](CNCc1nc(C2CC2)no1)NC(=O)c1ncccc1[O-] ZINC001497805459 1018428877 /nfs/dbraw/zinc/42/88/77/1018428877.db2.gz NNXJYSKIUFOTLM-SECBINFHSA-N -1 1 317.349 0.956 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H](C)CNCc2cc3n(n2)CCC3)c1[O-] ZINC001497807355 1018432376 /nfs/dbraw/zinc/43/23/76/1018432376.db2.gz RLFQUOADNOMKFP-SECBINFHSA-N -1 1 318.381 0.475 20 0 DCADMM Cc1c[nH]c(C(=O)N[C@@](C)(CNCc2n[nH]c(=O)[n-]2)C2CC2)n1 ZINC001495281088 1018440851 /nfs/dbraw/zinc/44/08/51/1018440851.db2.gz LRFIZZWWPVHEQI-AWEZNQCLSA-N -1 1 319.369 0.230 20 0 DCADMM Cn1[n-]c(CN2CCN(C(=O)CC(C)(C)C3CC3)CC2)nc1=O ZINC001480355637 1018461353 /nfs/dbraw/zinc/46/13/53/1018461353.db2.gz SZCPDXIVBDYXFQ-UHFFFAOYSA-N -1 1 321.425 0.579 20 0 DCADMM Cc1c[nH]c(C(=O)NCC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001495550267 1018572224 /nfs/dbraw/zinc/57/22/24/1018572224.db2.gz JGAKLMJSEYBZHM-SECBINFHSA-N -1 1 317.349 0.757 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C1(c2cccnc2)CC1 ZINC001498099745 1018651654 /nfs/dbraw/zinc/65/16/54/1018651654.db2.gz NSRLDHDVRKUZHU-JTQLQIEISA-N -1 1 316.365 0.231 20 0 DCADMM C[C@@H](OCC1CC1)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001498120975 1018668579 /nfs/dbraw/zinc/66/85/79/1018668579.db2.gz STULLKRGLYJETO-SNVBAGLBSA-N -1 1 319.361 0.543 20 0 DCADMM Cc1cc(C(=O)N(C)[C@@H](C)CNCc2n[nH]c(=O)[n-]2)c(C)o1 ZINC001495998805 1018948901 /nfs/dbraw/zinc/94/89/01/1018948901.db2.gz NIEMGVTVHBAMGQ-QMMMGPOBSA-N -1 1 307.354 0.970 20 0 DCADMM C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CC12CCCC2 ZINC001498425380 1019107245 /nfs/dbraw/zinc/10/72/45/1019107245.db2.gz AEXWPGOQXXTXDF-VXGBXAGGSA-N -1 1 321.425 0.625 20 0 DCADMM Cc1ncc(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)s1 ZINC001498737278 1019372616 /nfs/dbraw/zinc/37/26/16/1019372616.db2.gz HCHMGFFGZZFYHH-SECBINFHSA-N -1 1 322.394 0.573 20 0 DCADMM Cc1nscc1C(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001498753899 1019397983 /nfs/dbraw/zinc/39/79/83/1019397983.db2.gz VFDPBCKZIGILPB-JTQLQIEISA-N -1 1 322.394 0.573 20 0 DCADMM CC(C)[C@H](CNC(=O)[C@@H](C)C(F)(F)F)NCc1n[nH]c(=O)[n-]1 ZINC001496588761 1019433858 /nfs/dbraw/zinc/43/38/58/1019433858.db2.gz BRMINWLCUXFUFP-SFYZADRCSA-N -1 1 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/nfs/dbraw/zinc/70/97/83/598709783.db2.gz BHYHXQZLNANUGH-UHFFFAOYSA-N -1 1 320.334 0.974 20 0 DCADMM CS(=O)(=O)CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737161749 598744638 /nfs/dbraw/zinc/74/46/38/598744638.db2.gz DEFUDYFNSXNYHP-UHFFFAOYSA-N -1 1 316.774 0.762 20 0 DCADMM CS(=O)(=O)CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737161749 598744640 /nfs/dbraw/zinc/74/46/40/598744640.db2.gz DEFUDYFNSXNYHP-UHFFFAOYSA-N -1 1 316.774 0.762 20 0 DCADMM c1ncn(-c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cn2)n1 ZINC000738418985 599411143 /nfs/dbraw/zinc/41/11/43/599411143.db2.gz KZLWEARWOMWUFP-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1ncn(-c2ccc(CNc3cccc(-c4nn[n-]n4)n3)cn2)n1 ZINC000738418985 599411144 /nfs/dbraw/zinc/41/11/44/599411144.db2.gz KZLWEARWOMWUFP-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM CN(Cc1cccc(C(N)=O)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000736827496 599413874 /nfs/dbraw/zinc/41/38/74/599413874.db2.gz FFWMEPQTEDXSNO-UHFFFAOYSA-N -1 1 309.333 0.997 20 0 DCADMM CN(Cc1cccc(C(N)=O)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000736827496 599413877 /nfs/dbraw/zinc/41/38/77/599413877.db2.gz FFWMEPQTEDXSNO-UHFFFAOYSA-N -1 1 309.333 0.997 20 0 DCADMM COC(=O)CCSCCNc1cccc(-c2nnn[n-]2)n1 ZINC000736918496 599439514 /nfs/dbraw/zinc/43/95/14/599439514.db2.gz CRWAKISDYCHNHI-UHFFFAOYSA-N -1 1 308.367 0.970 20 0 DCADMM COC(=O)CCSCCNc1cccc(-c2nn[n-]n2)n1 ZINC000736918496 599439517 /nfs/dbraw/zinc/43/95/17/599439517.db2.gz CRWAKISDYCHNHI-UHFFFAOYSA-N -1 1 308.367 0.970 20 0 DCADMM CCCCc1noc(Cn2cccc(-c3nn[n-]n3)c2=O)n1 ZINC000736465539 599445026 /nfs/dbraw/zinc/44/50/26/599445026.db2.gz GCUNEFSBBOYBOA-UHFFFAOYSA-N -1 1 301.310 0.802 20 0 DCADMM CSCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737181944 599450300 /nfs/dbraw/zinc/45/03/00/599450300.db2.gz ONRHOIYCJWLVFA-UHFFFAOYSA-N -1 1 314.396 0.293 20 0 DCADMM CSCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737181944 599450302 /nfs/dbraw/zinc/45/03/02/599450302.db2.gz ONRHOIYCJWLVFA-UHFFFAOYSA-N -1 1 314.396 0.293 20 0 DCADMM 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ZINC000821023409 606288893 /nfs/dbraw/zinc/28/88/93/606288893.db2.gz ZUPCGNPCWFVNCV-SNVBAGLBSA-N -1 1 304.354 0.790 20 0 DCADMM NC(=O)NCCCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822873836 606293053 /nfs/dbraw/zinc/29/30/53/606293053.db2.gz MAHYPSKAFIGHHL-UHFFFAOYSA-N -1 1 319.325 0.349 20 0 DCADMM O=C(CNCC(F)(F)F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823005120 606298260 /nfs/dbraw/zinc/29/82/60/606298260.db2.gz CRZBMBLHQZAJPV-UHFFFAOYSA-N -1 1 316.243 0.663 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nncn1C ZINC000820397762 606525619 /nfs/dbraw/zinc/52/56/19/606525619.db2.gz SPWBKPULBYBMAH-LURJTMIESA-N -1 1 304.339 0.548 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nncn1C ZINC000820397762 606525621 /nfs/dbraw/zinc/52/56/21/606525621.db2.gz SPWBKPULBYBMAH-LURJTMIESA-N -1 1 304.339 0.548 20 0 DCADMM O=C(NCCNc1cnccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823206194 606534008 /nfs/dbraw/zinc/53/40/08/606534008.db2.gz NNBZBOZTPVKLRY-UHFFFAOYSA-N -1 1 316.350 0.560 20 0 DCADMM O=C(NCCNc1cnccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823206194 606534011 /nfs/dbraw/zinc/53/40/11/606534011.db2.gz NNBZBOZTPVKLRY-UHFFFAOYSA-N -1 1 316.350 0.560 20 0 DCADMM Cn1cnnc1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822703748 606552411 /nfs/dbraw/zinc/55/24/11/606552411.db2.gz BSPYVHXMJDSYQB-UHFFFAOYSA-N -1 1 304.339 0.029 20 0 DCADMM Cn1cnnc1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822703748 606552413 /nfs/dbraw/zinc/55/24/13/606552413.db2.gz BSPYVHXMJDSYQB-UHFFFAOYSA-N -1 1 304.339 0.029 20 0 DCADMM COC(=O)[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000821639027 606567876 /nfs/dbraw/zinc/56/78/76/606567876.db2.gz NHTCOLOAROIZLY-ZDUSSCGKSA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000821639027 606567878 /nfs/dbraw/zinc/56/78/78/606567878.db2.gz NHTCOLOAROIZLY-ZDUSSCGKSA-N -1 1 321.362 1.000 20 0 DCADMM c1cnc(N2CCO[C@H]([C@H]3CCCO3)C2)c(-c2nnn[n-]2)n1 ZINC000823809317 606802409 /nfs/dbraw/zinc/80/24/09/606802409.db2.gz KGNQYENHAMYIOT-ZJUUUORDSA-N -1 1 303.326 0.041 20 0 DCADMM c1cnc(N2CCO[C@H]([C@H]3CCCO3)C2)c(-c2nn[n-]n2)n1 ZINC000823809317 606802411 /nfs/dbraw/zinc/80/24/11/606802411.db2.gz KGNQYENHAMYIOT-ZJUUUORDSA-N -1 1 303.326 0.041 20 0 DCADMM CN(c1nc(Cn2cnc(-c3nn[n-]n3)n2)cs1)C1CC1 ZINC000821619416 606820466 /nfs/dbraw/zinc/82/04/66/606820466.db2.gz WHYVIRIAXMECHU-UHFFFAOYSA-N -1 1 303.355 0.562 20 0 DCADMM CC(=O)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC000819796336 606876220 /nfs/dbraw/zinc/87/62/20/606876220.db2.gz FNMNFPIRYMNZTE-QMMMGPOBSA-N -1 1 321.772 0.972 20 0 DCADMM CC(=O)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC000819796336 606876222 /nfs/dbraw/zinc/87/62/22/606876222.db2.gz FNMNFPIRYMNZTE-QMMMGPOBSA-N -1 1 321.772 0.972 20 0 DCADMM C[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1n1ccnc1 ZINC000820727169 607046935 /nfs/dbraw/zinc/04/69/35/607046935.db2.gz IBXIAEAOLSQZMH-GHMZBOCLSA-N -1 1 311.353 0.941 20 0 DCADMM C[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820727169 607046937 /nfs/dbraw/zinc/04/69/37/607046937.db2.gz IBXIAEAOLSQZMH-GHMZBOCLSA-N -1 1 311.353 0.941 20 0 DCADMM O=C(N[C@@H]1CCCc2c[nH]nc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823149582 607097359 /nfs/dbraw/zinc/09/73/59/607097359.db2.gz CMZQQOUBGLTCEC-SNVBAGLBSA-N -1 1 310.321 0.792 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCC1CCCC1 ZINC000823131785 607206702 /nfs/dbraw/zinc/20/67/02/607206702.db2.gz OPQSOGYJCMIBKO-UHFFFAOYSA-N -1 1 304.358 0.545 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(F)c1F ZINC000823136354 607211810 /nfs/dbraw/zinc/21/18/10/607211810.db2.gz XJIZHZNJAYTZIK-UHFFFAOYSA-N -1 1 306.236 0.375 20 0 DCADMM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820814128 607216473 /nfs/dbraw/zinc/21/64/73/607216473.db2.gz RVOOKCYNOGWWIV-ZANVPECISA-N -1 1 324.348 0.508 20 0 DCADMM C[C@@H]1CCC[C@@H](C)N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820691111 607219446 /nfs/dbraw/zinc/21/94/46/607219446.db2.gz VLKBFZJWFATOTG-NXEZZACHSA-N -1 1 304.358 0.495 20 0 DCADMM C[C@@H]1Cc2ccccc2CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820814637 607219518 /nfs/dbraw/zinc/21/95/18/607219518.db2.gz WTOJIGZPXBJNJS-SNVBAGLBSA-N -1 1 324.348 0.432 20 0 DCADMM CCO[C@H](CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)C ZINC000821351097 607220883 /nfs/dbraw/zinc/22/08/83/607220883.db2.gz KWXFCEDYWDGXST-SNVBAGLBSA-N -1 1 322.373 0.026 20 0 DCADMM CCC[C@H](C)[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821014506 607225031 /nfs/dbraw/zinc/22/50/31/607225031.db2.gz IBKMVCYESMJPMK-WDEREUQCSA-N -1 1 318.385 0.885 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CC[C@H](O)CC2)n1 ZINC000826357883 607804028 /nfs/dbraw/zinc/80/40/28/607804028.db2.gz VBPYBUWNWUBEOW-ZKCHVHJHSA-N -1 1 306.330 0.025 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CC[C@H](O)CC2)n1 ZINC000826357883 607804029 /nfs/dbraw/zinc/80/40/29/607804029.db2.gz VBPYBUWNWUBEOW-ZKCHVHJHSA-N -1 1 306.330 0.025 20 0 DCADMM C[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)S(C)(=O)=O ZINC000824428532 607822351 /nfs/dbraw/zinc/82/23/51/607822351.db2.gz SOAAHEFJMIZFHE-LURJTMIESA-N -1 1 316.774 0.760 20 0 DCADMM C[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)S(C)(=O)=O ZINC000824428532 607822352 /nfs/dbraw/zinc/82/23/52/607822352.db2.gz SOAAHEFJMIZFHE-LURJTMIESA-N -1 1 316.774 0.760 20 0 DCADMM CS(=O)(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826224110 607989260 /nfs/dbraw/zinc/98/92/60/607989260.db2.gz ORQJTUAFVFLAKP-UHFFFAOYSA-N -1 1 318.318 0.853 20 0 DCADMM CS(=O)(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826224110 607989261 /nfs/dbraw/zinc/98/92/61/607989261.db2.gz ORQJTUAFVFLAKP-UHFFFAOYSA-N -1 1 318.318 0.853 20 0 DCADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC000826502796 607989455 /nfs/dbraw/zinc/98/94/55/607989455.db2.gz KTLDLXKUELLZEA-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC000826502796 607989456 /nfs/dbraw/zinc/98/94/56/607989456.db2.gz KTLDLXKUELLZEA-LLVKDONJSA-N -1 1 301.285 0.941 20 0 DCADMM c1ccc(NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC000826521923 607990431 /nfs/dbraw/zinc/99/04/31/607990431.db2.gz DESDSBAQGMDMFE-NSHDSACASA-N -1 1 323.364 0.990 20 0 DCADMM Cc1c(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cnn1C ZINC000826236619 608000884 /nfs/dbraw/zinc/00/08/84/608000884.db2.gz UWCFNORUZBGVLC-UHFFFAOYSA-N -1 1 303.351 0.900 20 0 DCADMM Cc1c(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cnn1C ZINC000826236619 608000885 /nfs/dbraw/zinc/00/08/85/608000885.db2.gz UWCFNORUZBGVLC-UHFFFAOYSA-N -1 1 303.351 0.900 20 0 DCADMM O=S(=O)(NCc1ncc[nH]1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492685 608001313 /nfs/dbraw/zinc/00/13/13/608001313.db2.gz XTMKHFNOKDYYAL-UHFFFAOYSA-N -1 1 323.313 0.207 20 0 DCADMM O=S(=O)(NCc1ncc[nH]1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492685 608001314 /nfs/dbraw/zinc/00/13/14/608001314.db2.gz XTMKHFNOKDYYAL-UHFFFAOYSA-N -1 1 323.313 0.207 20 0 DCADMM O=C(O[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826461708 608076768 /nfs/dbraw/zinc/07/67/68/608076768.db2.gz DQJVJCWSDLDQFH-JTQLQIEISA-N -1 1 314.305 0.182 20 0 DCADMM O=C(O[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826461708 608076769 /nfs/dbraw/zinc/07/67/69/608076769.db2.gz DQJVJCWSDLDQFH-JTQLQIEISA-N -1 1 314.305 0.182 20 0 DCADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826321649 608120140 /nfs/dbraw/zinc/12/01/40/608120140.db2.gz LBCPNXMXEOVQAY-ZCFIWIBFSA-N -1 1 315.341 0.819 20 0 DCADMM CN(C)C(=O)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000825839488 608177548 /nfs/dbraw/zinc/17/75/48/608177548.db2.gz HDTIENRKNYUWFJ-UHFFFAOYSA-N -1 1 301.763 0.867 20 0 DCADMM CN(C)C(=O)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000825839488 608177551 /nfs/dbraw/zinc/17/75/51/608177551.db2.gz HDTIENRKNYUWFJ-UHFFFAOYSA-N -1 1 301.763 0.867 20 0 DCADMM CCC(C)(C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825038689 608210713 /nfs/dbraw/zinc/21/07/13/608210713.db2.gz GBGMUBRVFJWVSH-UHFFFAOYSA-N -1 1 320.401 0.999 20 0 DCADMM CCC(C)(C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825038689 608210715 /nfs/dbraw/zinc/21/07/15/608210715.db2.gz GBGMUBRVFJWVSH-UHFFFAOYSA-N -1 1 320.401 0.999 20 0 DCADMM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826060644 608244454 /nfs/dbraw/zinc/24/44/54/608244454.db2.gz QAONOPAEKRGAIJ-YUMQZZPRSA-N -1 1 320.378 0.573 20 0 DCADMM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826060644 608244455 /nfs/dbraw/zinc/24/44/55/608244455.db2.gz QAONOPAEKRGAIJ-YUMQZZPRSA-N -1 1 320.378 0.573 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(C)(C)CCCO)n1 ZINC000826357114 608267266 /nfs/dbraw/zinc/26/72/66/608267266.db2.gz RNCLCSMCKOSJEG-UHFFFAOYSA-N -1 1 322.373 0.520 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(C)(C)CCCO)n1 ZINC000826357114 608267268 /nfs/dbraw/zinc/26/72/68/608267268.db2.gz RNCLCSMCKOSJEG-UHFFFAOYSA-N -1 1 322.373 0.520 20 0 DCADMM CC(C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824300054 608338371 /nfs/dbraw/zinc/33/83/71/608338371.db2.gz AXTRIEGNEWZWRQ-UHFFFAOYSA-N -1 1 320.357 0.281 20 0 DCADMM CC(C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824300054 608338373 /nfs/dbraw/zinc/33/83/73/608338373.db2.gz AXTRIEGNEWZWRQ-UHFFFAOYSA-N -1 1 320.357 0.281 20 0 DCADMM Cn1cc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC000826359775 608408523 /nfs/dbraw/zinc/40/85/23/608408523.db2.gz QAEVAZVWLNVXGU-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC000826359775 608408524 /nfs/dbraw/zinc/40/85/24/608408524.db2.gz QAEVAZVWLNVXGU-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM CN(C)c1nnc(Sc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000825888741 608416998 /nfs/dbraw/zinc/41/69/98/608416998.db2.gz VLDNOKDRXZQDQU-UHFFFAOYSA-N -1 1 307.368 0.725 20 0 DCADMM CN(C)c1nnc(Sc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000825888741 608416999 /nfs/dbraw/zinc/41/69/99/608416999.db2.gz VLDNOKDRXZQDQU-UHFFFAOYSA-N -1 1 307.368 0.725 20 0 DCADMM COc1cccc([C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826215378 608423278 /nfs/dbraw/zinc/42/32/78/608423278.db2.gz NHBFYORGFAXSME-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM COc1cccc([C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826215378 608423280 /nfs/dbraw/zinc/42/32/80/608423280.db2.gz NHBFYORGFAXSME-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM C[C@H](O)CN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824707727 608566983 /nfs/dbraw/zinc/56/69/83/608566983.db2.gz URRZCWAULUJNGA-ZETCQYMHSA-N -1 1 315.330 0.007 20 0 DCADMM Cn1cc(-c2nc(Cn3ccnc3-c3nnn[n-]3)cs2)cn1 ZINC000826356314 608888804 /nfs/dbraw/zinc/88/88/04/608888804.db2.gz LCFRZNPINCUCBA-UHFFFAOYSA-N -1 1 313.350 0.969 20 0 DCADMM Cn1cc(-c2nc(Cn3ccnc3-c3nn[n-]n3)cs2)cn1 ZINC000826356314 608888809 /nfs/dbraw/zinc/88/88/09/608888809.db2.gz LCFRZNPINCUCBA-UHFFFAOYSA-N -1 1 313.350 0.969 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000826425091 608890928 /nfs/dbraw/zinc/89/09/28/608890928.db2.gz POMBVRDXUGWKOB-UHFFFAOYSA-N -1 1 312.289 0.717 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000826425091 608890929 /nfs/dbraw/zinc/89/09/29/608890929.db2.gz POMBVRDXUGWKOB-UHFFFAOYSA-N -1 1 312.289 0.717 20 0 DCADMM C[C@H](C1CC1)N(C(=O)Cn1ccnc1-c1nnn[n-]1)C1CC1 ZINC000824377832 608893534 /nfs/dbraw/zinc/89/35/34/608893534.db2.gz OUGWZLLHBNUUDH-SECBINFHSA-N -1 1 301.354 0.853 20 0 DCADMM C[C@H](C1CC1)N(C(=O)Cn1ccnc1-c1nn[n-]n1)C1CC1 ZINC000824377832 608893535 /nfs/dbraw/zinc/89/35/35/608893535.db2.gz OUGWZLLHBNUUDH-SECBINFHSA-N -1 1 301.354 0.853 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC000736290568 609179748 /nfs/dbraw/zinc/17/97/48/609179748.db2.gz QXNRHDMCKBWDNQ-DTORHVGOSA-N -1 1 324.366 0.060 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)O1 ZINC000736290568 609179750 /nfs/dbraw/zinc/17/97/50/609179750.db2.gz QXNRHDMCKBWDNQ-DTORHVGOSA-N -1 1 324.366 0.060 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2C(C)(C)O)n1 ZINC000826357253 609382395 /nfs/dbraw/zinc/38/23/95/609382395.db2.gz XRELKRHYJBGRIY-VIFPVBQESA-N -1 1 320.357 0.367 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2C(C)(C)O)n1 ZINC000826357253 609382397 /nfs/dbraw/zinc/38/23/97/609382397.db2.gz XRELKRHYJBGRIY-VIFPVBQESA-N -1 1 320.357 0.367 20 0 DCADMM Cc1onc(CC(=O)N(C)CC2CCOCC2)c1-c1nnn[n-]1 ZINC000826343156 609468998 /nfs/dbraw/zinc/46/89/98/609468998.db2.gz OQPHAAKOOZRKPO-UHFFFAOYSA-N -1 1 320.353 0.591 20 0 DCADMM Cc1onc(CC(=O)N(C)CC2CCOCC2)c1-c1nn[n-]n1 ZINC000826343156 609468999 /nfs/dbraw/zinc/46/89/99/609468999.db2.gz OQPHAAKOOZRKPO-UHFFFAOYSA-N -1 1 320.353 0.591 20 0 DCADMM Cc1onc(CC(=O)NCCCCCCO)c1-c1nnn[n-]1 ZINC000826347215 609470755 /nfs/dbraw/zinc/47/07/55/609470755.db2.gz IVNZHPLHPVWFDU-UHFFFAOYSA-N -1 1 308.342 0.375 20 0 DCADMM Cc1onc(CC(=O)NCCCCCCO)c1-c1nn[n-]n1 ZINC000826347215 609470757 /nfs/dbraw/zinc/47/07/57/609470757.db2.gz IVNZHPLHPVWFDU-UHFFFAOYSA-N -1 1 308.342 0.375 20 0 DCADMM c1cc(-c2nnn[n-]2)oc1CN1CCOC[C@H]1c1ncon1 ZINC000826526567 609498197 /nfs/dbraw/zinc/49/81/97/609498197.db2.gz DIDYTFQRIWBNQV-VIFPVBQESA-N -1 1 303.282 0.416 20 0 DCADMM c1cc(-c2nn[n-]n2)oc1CN1CCOC[C@H]1c1ncon1 ZINC000826526567 609498199 /nfs/dbraw/zinc/49/81/99/609498199.db2.gz DIDYTFQRIWBNQV-VIFPVBQESA-N -1 1 303.282 0.416 20 0 DCADMM CN(C)c1ncc(CN(C)c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000825884217 609555790 /nfs/dbraw/zinc/55/57/90/609555790.db2.gz VXTUPLBHMZSKSB-UHFFFAOYSA-N -1 1 312.341 0.149 20 0 DCADMM CN(C)c1ncc(CN(C)c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000825884217 609555793 /nfs/dbraw/zinc/55/57/93/609555793.db2.gz VXTUPLBHMZSKSB-UHFFFAOYSA-N -1 1 312.341 0.149 20 0 DCADMM CC[C@@H]1C[C@@H](C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC000825183207 609591057 /nfs/dbraw/zinc/59/10/57/609591057.db2.gz NTZHXTIDXOQRSL-DTWKUNHWSA-N -1 1 305.342 0.744 20 0 DCADMM CC[C@@H]1C[C@@H](C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC000825183207 609591058 /nfs/dbraw/zinc/59/10/58/609591058.db2.gz NTZHXTIDXOQRSL-DTWKUNHWSA-N -1 1 305.342 0.744 20 0 DCADMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@H]12 ZINC000867487636 667407331 /nfs/dbraw/zinc/40/73/31/667407331.db2.gz OWGPATIPBPRWKH-CLUVUEOHSA-N -1 1 323.484 0.955 20 0 DCADMM 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ZYIIKBGFWATZHG-NSHDSACASA-N -1 1 306.409 0.456 20 0 DCADMM O=C(c1cncs1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024889300 693843344 /nfs/dbraw/zinc/84/33/44/693843344.db2.gz XIJDOCKOAMUTFW-SECBINFHSA-N -1 1 322.394 0.751 20 0 DCADMM O=C(CN1CCC(NC(=O)c2ncccc2[O-])CC1)NC1CC1 ZINC000069844277 685073875 /nfs/dbraw/zinc/07/38/75/685073875.db2.gz KZDWNJSVPDVXBF-UHFFFAOYSA-N -1 1 318.377 0.260 20 0 DCADMM CN(C(=O)c1ccon1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000953817548 685859345 /nfs/dbraw/zinc/85/93/45/685859345.db2.gz PURFUDIYSDHGQW-UHFFFAOYSA-N -1 1 302.290 0.372 20 0 DCADMM Cc1cc(C(=O)N(C)C2CN(C(=O)c3ncccc3[O-])C2)[nH]n1 ZINC000953824063 685862842 /nfs/dbraw/zinc/86/28/42/685862842.db2.gz PDEHTIYKHIBBGR-UHFFFAOYSA-N -1 1 315.333 0.415 20 0 DCADMM Cc1cc(C(=O)N(C)C2CN(C(=O)c3ncccc3[O-])C2)n[nH]1 ZINC000953824063 685862845 /nfs/dbraw/zinc/86/28/45/685862845.db2.gz PDEHTIYKHIBBGR-UHFFFAOYSA-N -1 1 315.333 0.415 20 0 DCADMM Cc1cc(C(=O)N2CC(N(C)C(=O)c3ncccc3[O-])C2)no1 ZINC000954124074 685948818 /nfs/dbraw/zinc/94/88/18/685948818.db2.gz KDRZDBQQESXPHI-UHFFFAOYSA-N -1 1 316.317 0.680 20 0 DCADMM CN(C(=O)c1ncccc1[O-])C1CN(C(=O)[C@H]2CCOC2)C1 ZINC000954124323 685948980 /nfs/dbraw/zinc/94/89/80/685948980.db2.gz VQKRIMPWAOTZSU-JTQLQIEISA-N -1 1 305.334 0.107 20 0 DCADMM CN(C(=O)c1ncccc1[O-])C1CN(C(=O)c2ccns2)C1 ZINC000954125402 685949693 /nfs/dbraw/zinc/94/96/93/685949693.db2.gz NGTNMOMQWFKYIY-UHFFFAOYSA-N -1 1 318.358 0.840 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)C2CCCCC2)nc1=O ZINC001038002314 693982880 /nfs/dbraw/zinc/98/28/80/693982880.db2.gz HBVOUAGNTXVQMR-LBPRGKRZSA-N -1 1 307.398 0.379 20 0 DCADMM CN(C(=O)Cc1ccco1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000955090928 686263942 /nfs/dbraw/zinc/26/39/42/686263942.db2.gz ACVLADXWRILAGA-UHFFFAOYSA-N -1 1 315.329 0.906 20 0 DCADMM Cc1ccnc(CN2CC[C@@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001038195514 694009976 /nfs/dbraw/zinc/00/99/76/694009976.db2.gz VNNHOMVOGSGWTM-GFCCVEGCSA-N -1 1 313.361 0.890 20 0 DCADMM CO[C@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000955913898 686553772 /nfs/dbraw/zinc/55/37/72/686553772.db2.gz IQJOSGHMOWKQBW-MNOVXSKESA-N -1 1 307.350 0.543 20 0 DCADMM C[C@@]1(NC(=O)[C@@H]2CCOC2)CCN(C(=O)c2ncccc2[O-])C1 ZINC000956748596 686825744 /nfs/dbraw/zinc/82/57/44/686825744.db2.gz ODZSKSXYSQIHJJ-BDJLRTHQSA-N -1 1 319.361 0.545 20 0 DCADMM Cn1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncccc2[O-])n1 ZINC000958638940 687822716 /nfs/dbraw/zinc/82/27/16/687822716.db2.gz VIEWFOMYEMAPAB-IMRBUKKESA-N -1 1 313.361 0.381 20 0 DCADMM CN(C(=O)c1ncccc1[O-])[C@H]1CN(C(=O)C(C)(C)C)C[C@@H]1O ZINC000958830618 687948864 /nfs/dbraw/zinc/94/88/64/687948864.db2.gz CALGLHXXQMRQQS-JQWIXIFHSA-N -1 1 321.377 0.477 20 0 DCADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001038678690 694158761 /nfs/dbraw/zinc/15/87/61/694158761.db2.gz ALNSTWAEBSDBTF-GRYCIOLGSA-N -1 1 307.398 0.235 20 0 DCADMM Cn1cnc(C(=O)N2CCCC[C@H]2CNCc2n[nH]c(=O)[n-]2)c1 ZINC000959952747 688268518 /nfs/dbraw/zinc/26/85/18/688268518.db2.gz WGHIDTQJLRXETM-JTQLQIEISA-N -1 1 319.369 0.028 20 0 DCADMM O=C(c1ncccn1)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000960169701 688316594 /nfs/dbraw/zinc/31/65/94/688316594.db2.gz KZHLMBCQOGGVLC-JTQLQIEISA-N -1 1 317.353 0.085 20 0 DCADMM Cc1cnoc1C(=O)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000960183534 688320294 /nfs/dbraw/zinc/32/02/94/688320294.db2.gz POXHBROFFRRDSS-JTQLQIEISA-N -1 1 320.353 0.591 20 0 DCADMM O=C(NC1CC(CNCc2csnn2)C1)c1ncccc1[O-] ZINC000961754495 688722469 /nfs/dbraw/zinc/72/24/69/688722469.db2.gz GTTLAKCCLNVGRG-UHFFFAOYSA-N -1 1 319.390 0.937 20 0 DCADMM CO[C@@H](C)CN1CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001038921481 694241411 /nfs/dbraw/zinc/24/14/11/694241411.db2.gz LYUVDJSSYOHKJU-VHSXEESVSA-N -1 1 320.349 0.767 20 0 DCADMM CC(C)[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC000962437300 688910073 /nfs/dbraw/zinc/91/00/73/688910073.db2.gz RAEIHKDRIKOXKS-WZRBSPASSA-N -1 1 321.377 0.381 20 0 DCADMM COCC(=O)N1CCC2(C[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC000963684500 689083044 /nfs/dbraw/zinc/08/30/44/689083044.db2.gz SGYXERQYWROBEX-GFCCVEGCSA-N -1 1 319.361 0.545 20 0 DCADMM O=C(NC[C@H]1COCCN1C(=O)c1ncccc1[O-])C1CC1 ZINC000964037898 689121538 /nfs/dbraw/zinc/12/15/38/689121538.db2.gz LTUKNKSTMILHRH-NSHDSACASA-N -1 1 305.334 0.154 20 0 DCADMM CCCC(=O)N1CC2(C1)CN(C(=O)c1ncccc1[O-])CCO2 ZINC000965365241 689423945 /nfs/dbraw/zinc/42/39/45/689423945.db2.gz WDKRQACUURZUMY-UHFFFAOYSA-N -1 1 319.361 0.641 20 0 DCADMM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1NC(=O)CC1CCC1 ZINC000965763865 689547673 /nfs/dbraw/zinc/54/76/73/689547673.db2.gz NBZFUTMZKUORIS-YPMHNXCESA-N -1 1 321.425 0.625 20 0 DCADMM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1NC(=O)C=C1CCC1 ZINC000965891437 689571604 /nfs/dbraw/zinc/57/16/04/689571604.db2.gz VPEQBXMETRCTJL-YPMHNXCESA-N -1 1 319.409 0.545 20 0 DCADMM C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000966180042 689669771 /nfs/dbraw/zinc/66/97/71/689669771.db2.gz NUOQJDQIMJMVQV-GXSJLCMTSA-N -1 1 315.333 0.401 20 0 DCADMM C[C@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000966180042 689669775 /nfs/dbraw/zinc/66/97/75/689669775.db2.gz NUOQJDQIMJMVQV-GXSJLCMTSA-N -1 1 315.333 0.401 20 0 DCADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1ncc[nH]1 ZINC000966350373 689733620 /nfs/dbraw/zinc/73/36/20/689733620.db2.gz PHLOIQZHQBPSFK-VHSXEESVSA-N -1 1 315.333 0.401 20 0 DCADMM CCn1ncnc1CN[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000968478479 690287243 /nfs/dbraw/zinc/28/72/43/690287243.db2.gz XLAYBRICNYIUFC-LLVKDONJSA-N -1 1 316.365 0.403 20 0 DCADMM C[C@]1(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CC=CCC1 ZINC000968782783 690390783 /nfs/dbraw/zinc/39/07/83/690390783.db2.gz ADDMEGDAORLSQY-ABAIWWIYSA-N -1 1 305.382 0.947 20 0 DCADMM C/C=C(\C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1 ZINC001039541359 694380141 /nfs/dbraw/zinc/38/01/41/694380141.db2.gz PQQJFPQIZUYJKA-FWXODLJWSA-N -1 1 319.409 0.640 20 0 DCADMM Cc1cocc1C(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001008176190 690814726 /nfs/dbraw/zinc/81/47/26/690814726.db2.gz IQWPYEYVEPOAFN-NSHDSACASA-N -1 1 319.365 0.404 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H](NC(=O)Cc3ccco3)C2)nc1=O ZINC001008949168 690960703 /nfs/dbraw/zinc/96/07/03/690960703.db2.gz HYGSYBHBSZMPKN-NSHDSACASA-N -1 1 319.365 0.025 20 0 DCADMM Cn1[n-]c(CN2CC[C@H](NC(=O)c3cccc(F)c3)C2)nc1=O ZINC001009984587 691140717 /nfs/dbraw/zinc/14/07/17/691140717.db2.gz FQRQTSUZGDOANR-LBPRGKRZSA-N -1 1 319.340 0.252 20 0 DCADMM O=C(N[C@@H]1CCN(Cc2cnsn2)C1)c1ncccc1[O-] ZINC001010732516 691364610 /nfs/dbraw/zinc/36/46/10/691364610.db2.gz NHXMVJMQRLBXRV-SECBINFHSA-N -1 1 305.363 0.643 20 0 DCADMM CN1CCC[C@H](N2CC[C@H](NC(=O)c3ncccc3[O-])C2)C1=O ZINC001010731697 691365017 /nfs/dbraw/zinc/36/50/17/691365017.db2.gz KVMDLVMRYMSCFV-RYUDHWBXSA-N -1 1 318.377 0.212 20 0 DCADMM Cc1cc(CN2CC[C@@H](NC(=O)c3ncccc3[O-])C2)nn1C ZINC001010734887 691366309 /nfs/dbraw/zinc/36/63/09/691366309.db2.gz VUHUFUCBKVIABN-GFCCVEGCSA-N -1 1 315.377 0.833 20 0 DCADMM CCC(=O)N1CC[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H]1C ZINC001011333970 691512573 /nfs/dbraw/zinc/51/25/73/691512573.db2.gz MMWNQJOYADPRKE-HTQZYQBOSA-N -1 1 324.337 0.026 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])CN1C(=O)c1cocn1 ZINC001012378676 691770138 /nfs/dbraw/zinc/77/01/38/691770138.db2.gz PEWCQISNTCNTQU-NXEZZACHSA-N -1 1 316.317 0.808 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])CN1C(=O)c1ncc[nH]1 ZINC001012572933 691814978 /nfs/dbraw/zinc/81/49/78/691814978.db2.gz BRANBJJGINXHMF-NXEZZACHSA-N -1 1 315.333 0.543 20 0 DCADMM COCC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001014894518 692125092 /nfs/dbraw/zinc/12/50/92/692125092.db2.gz PNIHGTRGNNWSRO-MNOVXSKESA-N -1 1 307.350 0.543 20 0 DCADMM CCc1ccoc1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001015660746 692384902 /nfs/dbraw/zinc/38/49/02/692384902.db2.gz IYTCDNXJJMKRRN-LLVKDONJSA-N -1 1 319.365 0.268 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001017051272 692835541 /nfs/dbraw/zinc/83/55/41/692835541.db2.gz DVNDGIJAWVZCRY-JTQLQIEISA-N -1 1 319.369 0.218 20 0 DCADMM O=C(NCC1=CCN(C(=O)c2ccc[nH]2)CC1)c1cnn[nH]1 ZINC001017561834 692937970 /nfs/dbraw/zinc/93/79/70/692937970.db2.gz DWFIQCYHQJJKSM-UHFFFAOYSA-N -1 1 300.322 0.335 20 0 DCADMM Cc1cncc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1 ZINC001018663695 693185815 /nfs/dbraw/zinc/18/58/15/693185815.db2.gz MHLOBCDVWJQGLW-NSHDSACASA-N -1 1 302.338 0.218 20 0 DCADMM O=C([C@@H]1CCCOCC1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001018781286 693231177 /nfs/dbraw/zinc/23/11/77/693231177.db2.gz LDDSGWOXEMEBHX-MNOVXSKESA-N -1 1 309.370 0.018 20 0 DCADMM O=C(N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1)C1(C(F)F)CC1 ZINC001018840422 693258485 /nfs/dbraw/zinc/25/84/85/693258485.db2.gz GRVVGZHUBJBYNH-ZETCQYMHSA-N -1 1 301.297 0.246 20 0 DCADMM O=C([C@H]1CCC(F)(F)C1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001018946037 693291564 /nfs/dbraw/zinc/29/15/64/693291564.db2.gz MJAFTDYWSKKHNU-IUCAKERBSA-N -1 1 315.324 0.636 20 0 DCADMM C[C@@H](C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1)c1ccco1 ZINC001019370198 693450574 /nfs/dbraw/zinc/45/05/74/693450574.db2.gz RFXKAKWVRXEFCL-ZJUUUORDSA-N -1 1 305.338 0.598 20 0 DCADMM CCCC(=O)N1CCCO[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001019571517 693527122 /nfs/dbraw/zinc/52/71/22/693527122.db2.gz DGEMMZWTTSKQFT-GFCCVEGCSA-N -1 1 321.377 0.935 20 0 DCADMM O=C(c1ncoc1C1CC1)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001019608233 693539450 /nfs/dbraw/zinc/53/94/50/693539450.db2.gz KQBSVPJJJHUTFQ-VIFPVBQESA-N -1 1 318.337 0.380 20 0 DCADMM COc1cccc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1 ZINC001019698640 693569043 /nfs/dbraw/zinc/56/90/43/693569043.db2.gz KCJCMFDEPAXNFE-NSHDSACASA-N -1 1 317.349 0.523 20 0 DCADMM Cc1nnc([C@@H](C)N[C@H]2C[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)[nH]1 ZINC001020079436 693675426 /nfs/dbraw/zinc/67/54/26/693675426.db2.gz SXKPHEKQBBNAOX-SZEHBUNVSA-N -1 1 319.369 0.462 20 0 DCADMM CC(C)[C@H](C)C(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2 ZINC001073028425 694696498 /nfs/dbraw/zinc/69/64/98/694696498.db2.gz MRURHURXGJJLRW-LBPRGKRZSA-N -1 1 321.425 0.435 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)C1CCC(O)CC1 ZINC001074631004 694913761 /nfs/dbraw/zinc/91/37/61/694913761.db2.gz TZBMTNJIMUBHRF-XKGSQUFQSA-N -1 1 323.397 0.140 20 0 DCADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1cncnc1 ZINC001076245227 695008366 /nfs/dbraw/zinc/00/83/66/695008366.db2.gz STTSYTZOZKAAMR-JTQLQIEISA-N -1 1 315.333 0.516 20 0 DCADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1n[nH]cc1F ZINC001076244926 695008445 /nfs/dbraw/zinc/00/84/45/695008445.db2.gz GIYRESOLKYEVGG-QMMMGPOBSA-N -1 1 321.312 0.588 20 0 DCADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCOC1 ZINC001076244665 695008447 /nfs/dbraw/zinc/00/84/47/695008447.db2.gz YDISMYOGBRBTPW-QWRGUYRKSA-N -1 1 307.350 0.448 20 0 DCADMM Cc1ncc(CN2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)o1 ZINC001076916823 695096939 /nfs/dbraw/zinc/09/69/39/695096939.db2.gz DGDUPEMJYQIOCZ-DGCLKSJQSA-N -1 1 318.333 0.059 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCc1ncn(C)n1 ZINC001570701175 1162584109 /nfs/dbraw/zinc/58/41/09/1162584109.db2.gz ILUBSDMAKIOAOU-UHFFFAOYSA-N -1 1 322.394 0.704 20 0 DCADMM Cn1cc(-c2ncccc2NC(=O)CCCc2nn[n-]n2)cn1 ZINC001625788318 1157351777 /nfs/dbraw/zinc/35/17/77/1157351777.db2.gz SZVMSCKXYOXLPX-UHFFFAOYSA-N -1 1 312.337 0.957 20 0 DCADMM C([C@H]1CCOC1)n1c(-c2nnn[n-]2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001772533696 1157523361 /nfs/dbraw/zinc/52/33/61/1157523361.db2.gz IAFGQCAQVUYQQG-GMTAPVOTSA-N -1 1 316.369 0.341 20 0 DCADMM C([C@H]1CCOC1)n1c(-c2nn[n-]n2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001772533696 1157523365 /nfs/dbraw/zinc/52/33/65/1157523365.db2.gz IAFGQCAQVUYQQG-GMTAPVOTSA-N -1 1 316.369 0.341 20 0 DCADMM C([C@@H]1CCOC1)n1c(-c2nnn[n-]2)nnc1N1CCSCC1 ZINC001772533872 1157523821 /nfs/dbraw/zinc/52/38/21/1157523821.db2.gz YFHHSUWYOGAZEZ-VIFPVBQESA-N -1 1 322.398 0.048 20 0 DCADMM C([C@@H]1CCOC1)n1c(-c2nn[n-]n2)nnc1N1CCSCC1 ZINC001772533872 1157523825 /nfs/dbraw/zinc/52/38/25/1157523825.db2.gz YFHHSUWYOGAZEZ-VIFPVBQESA-N -1 1 322.398 0.048 20 0 DCADMM Cc1nnc(COCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)s1 ZINC001771694695 1157758288 /nfs/dbraw/zinc/75/82/88/1157758288.db2.gz GSKSMPWJQIZVSF-SSDOTTSWSA-N -1 1 311.371 0.138 20 0 DCADMM Cc1cc(=O)cc(C)n1CCCC(=O)OCc1nc(=O)n(C)[n-]1 ZINC001771709813 1157957761 /nfs/dbraw/zinc/95/77/61/1157957761.db2.gz SIJCYKKNUIAWAS-UHFFFAOYSA-N -1 1 320.349 0.411 20 0 DCADMM COC(OC)[C@@H](NC(=O)CCc1nn[n-]n1)c1ccccc1 ZINC001626029026 1158615588 /nfs/dbraw/zinc/61/55/88/1158615588.db2.gz HGOLQSHOVPBLKE-ZDUSSCGKSA-N -1 1 305.338 0.609 20 0 DCADMM COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2cnncc2O)c1 ZINC001649052586 1158625385 /nfs/dbraw/zinc/62/53/85/1158625385.db2.gz FCELECYVXTUYKQ-AWEZNQCLSA-N -1 1 314.345 0.978 20 0 DCADMM O=S(=O)([N-]C[C@@H](O)CO)c1cc(Cl)sc1Cl ZINC000085245137 1158649527 /nfs/dbraw/zinc/64/95/27/1158649527.db2.gz 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ZINC001566438115 1159976875 /nfs/dbraw/zinc/97/68/75/1159976875.db2.gz JOLYYFDQWIMWFA-UHFFFAOYSA-N -1 1 321.329 0.653 20 0 DCADMM CCN(CCCNC(=O)[C@H]1CCO[C@@H]1C)Cc1n[nH]c(=O)[n-]1 ZINC001566570487 1160069509 /nfs/dbraw/zinc/06/95/09/1160069509.db2.gz IMWPLZYTEFCUNP-MNOVXSKESA-N -1 1 311.386 0.264 20 0 DCADMM CC(C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1)=C1CCC1 ZINC001568480423 1160656724 /nfs/dbraw/zinc/65/67/24/1160656724.db2.gz FYBWTGXPXXABLX-UHFFFAOYSA-N -1 1 307.398 0.499 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CC1CCOCC1)OC ZINC001568981680 1160907209 /nfs/dbraw/zinc/90/72/09/1160907209.db2.gz XJWIXVDLRJGVKQ-UHFFFAOYSA-N -1 1 313.310 0.327 20 0 DCADMM CC(C)=C(C)CC(=O)N[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001569132082 1160953634 /nfs/dbraw/zinc/95/36/34/1160953634.db2.gz DGTDVVSERJUCBY-GFCCVEGCSA-N -1 1 309.414 0.791 20 0 DCADMM O=C(c1ccon1)N1CC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001569965497 1161353210 /nfs/dbraw/zinc/35/32/10/1161353210.db2.gz AUSAHPWETGUUBP-VIFPVBQESA-N -1 1 306.326 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ZINC001573645276 1163521568 /nfs/dbraw/zinc/52/15/68/1163521568.db2.gz AYUUTDLKAUIKPP-SWHYSGLUSA-N -1 1 307.350 0.026 20 0 DCADMM C[C@H]1CN2CCN1C[C@H]2C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC001573654985 1163523789 /nfs/dbraw/zinc/52/37/89/1163523789.db2.gz PZOFHSRQLRYKON-ZFWWWQNUSA-N -1 1 317.389 0.488 20 0 DCADMM CN(C)[C@H](CNC(=O)[C@H](O)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001573859404 1163571586 /nfs/dbraw/zinc/57/15/86/1163571586.db2.gz YXMYKQKCRZHGND-VXGBXAGGSA-N -1 1 314.769 0.895 20 0 DCADMM CN(C[C@@H](O)c1cccnc1)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC001573870051 1163573554 /nfs/dbraw/zinc/57/35/54/1163573554.db2.gz KBPFUUKFFYFCSG-UONOGXRCSA-N -1 1 321.377 0.370 20 0 DCADMM CC(C)(CNC(N)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573901762 1163580371 /nfs/dbraw/zinc/58/03/71/1163580371.db2.gz FJZMXJOTKWVMBG-UHFFFAOYSA-N -1 1 316.778 0.835 20 0 DCADMM CC(C)(CNC(N)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573901762 1163580376 /nfs/dbraw/zinc/58/03/76/1163580376.db2.gz FJZMXJOTKWVMBG-UHFFFAOYSA-N -1 1 316.778 0.835 20 0 DCADMM CC(C)=CC(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573941279 1163594705 /nfs/dbraw/zinc/59/47/05/1163594705.db2.gz CWRHMNBFVVWRQL-UHFFFAOYSA-N -1 1 316.369 0.565 20 0 DCADMM CC(C)=CC(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573941279 1163594712 /nfs/dbraw/zinc/59/47/12/1163594712.db2.gz CWRHMNBFVVWRQL-UHFFFAOYSA-N -1 1 316.369 0.565 20 0 DCADMM CC(C)=CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573944160 1163594938 /nfs/dbraw/zinc/59/49/38/1163594938.db2.gz WKCSHSUKNAAJHJ-JTQLQIEISA-N -1 1 314.353 0.318 20 0 DCADMM CC(C)=CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573944160 1163594940 /nfs/dbraw/zinc/59/49/40/1163594940.db2.gz WKCSHSUKNAAJHJ-JTQLQIEISA-N -1 1 314.353 0.318 20 0 DCADMM CC(C)=CC(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573943099 1163594974 /nfs/dbraw/zinc/59/49/74/1163594974.db2.gz PXJOATSESRMSLR-SNVBAGLBSA-N -1 1 316.369 0.564 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001573951092 1163600155 /nfs/dbraw/zinc/60/01/55/1163600155.db2.gz KBVIUFNZFMMRRC-NXEZZACHSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001573951092 1163600159 /nfs/dbraw/zinc/60/01/59/1163600159.db2.gz KBVIUFNZFMMRRC-NXEZZACHSA-N -1 1 316.369 0.714 20 0 DCADMM CC(C)C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573965435 1163606012 /nfs/dbraw/zinc/60/60/12/1163606012.db2.gz XMSJAUDEVNFDOR-UHFFFAOYSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573965435 1163606020 /nfs/dbraw/zinc/60/60/20/1163606020.db2.gz XMSJAUDEVNFDOR-UHFFFAOYSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)[C@@H](F)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574064192 1163632313 /nfs/dbraw/zinc/63/23/13/1163632313.db2.gz KKERIPPHOCMPGJ-LLVKDONJSA-N -1 1 322.348 0.521 20 0 DCADMM CC(C)[C@@H](F)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574064192 1163632318 /nfs/dbraw/zinc/63/23/18/1163632318.db2.gz KKERIPPHOCMPGJ-LLVKDONJSA-N -1 1 322.348 0.521 20 0 DCADMM Cc1cc(=O)c(C(=O)N2CC[C@@H](c3[nH]ncc3C(=O)[O-])C2)c[nH]1 ZINC001574127213 1163643597 /nfs/dbraw/zinc/64/35/97/1163643597.db2.gz JMTFBWUFEIPVKG-SECBINFHSA-N -1 1 316.317 0.734 20 0 DCADMM Cc1ccc(C(=O)N2CC[C@@H](c3[nH]ncc3C(=O)[O-])C2)nn1 ZINC001574149857 1163648230 /nfs/dbraw/zinc/64/82/30/1163648230.db2.gz SJHQRPROJMFPLU-SECBINFHSA-N -1 1 301.306 0.836 20 0 DCADMM CC(C)NC(=O)CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001574295920 1163687693 /nfs/dbraw/zinc/68/76/93/1163687693.db2.gz XQDGFWJXCNUADD-UHFFFAOYSA-N -1 1 323.382 0.252 20 0 DCADMM CC(C)S(=O)(=O)CCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001574346306 1163700575 /nfs/dbraw/zinc/70/05/75/1163700575.db2.gz RURWFCBDBBJFBQ-UHFFFAOYSA-N -1 1 313.339 0.013 20 0 DCADMM CC(C)S(=O)(=O)CCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001574346306 1163700579 /nfs/dbraw/zinc/70/05/79/1163700579.db2.gz RURWFCBDBBJFBQ-UHFFFAOYSA-N -1 1 313.339 0.013 20 0 DCADMM O=C([O-])C[C@@H]1CCCC[C@@]1(O)CN1CCCn2nncc2C1 ZINC001574371235 1163707686 /nfs/dbraw/zinc/70/76/86/1163707686.db2.gz PCMGAVPEGSTSJA-SWLSCSKDSA-N -1 1 308.382 0.880 20 0 DCADMM CC(C)[C@@H]1C[C@H]1CNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001574393557 1163713756 /nfs/dbraw/zinc/71/37/56/1163713756.db2.gz OMENZBDHUUUMSI-UTLUCORTSA-N -1 1 304.358 0.428 20 0 DCADMM C[C@@H](CCNC(=O)C1(C)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574589959 1163734308 /nfs/dbraw/zinc/73/43/08/1163734308.db2.gz YZQQDBSDWHNGMG-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNC(=O)C1(C)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574589959 1163734315 /nfs/dbraw/zinc/73/43/15/1163734315.db2.gz YZQQDBSDWHNGMG-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)C(C)(C)C ZINC001574792707 1163753034 /nfs/dbraw/zinc/75/30/34/1163753034.db2.gz UUYUHCARGDVUIW-VIFPVBQESA-N -1 1 318.385 0.644 20 0 DCADMM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)C(C)(C)C ZINC001574792707 1163753039 /nfs/dbraw/zinc/75/30/39/1163753039.db2.gz UUYUHCARGDVUIW-VIFPVBQESA-N -1 1 318.385 0.644 20 0 DCADMM C[C@H](CNC(=O)[C@@H](C)C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574835015 1163767166 /nfs/dbraw/zinc/76/71/66/1163767166.db2.gz DJXOUYCPGJLIIA-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@@H](C)C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574835015 1163767170 /nfs/dbraw/zinc/76/71/70/1163767170.db2.gz DJXOUYCPGJLIIA-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)C1=CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574854068 1163772328 /nfs/dbraw/zinc/77/23/28/1163772328.db2.gz HGUXDMLMARFJLT-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNC(=O)C1=CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574854068 1163772349 /nfs/dbraw/zinc/77/23/49/1163772349.db2.gz HGUXDMLMARFJLT-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNC(=O)CCCF)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574904833 1163793041 /nfs/dbraw/zinc/79/30/41/1163793041.db2.gz TUFPJENTORKTBJ-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@H](CNC(=O)CCCF)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574904833 1163793047 /nfs/dbraw/zinc/79/30/47/1163793047.db2.gz TUFPJENTORKTBJ-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccns1 ZINC001575419002 1164009353 /nfs/dbraw/zinc/00/93/53/1164009353.db2.gz WWWFJIZQJQZESX-YFKPBYRVSA-N -1 1 320.338 0.296 20 0 DCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H](O)c1cccc(F)c1 ZINC001575437285 1164013391 /nfs/dbraw/zinc/01/33/91/1164013391.db2.gz JUIARSMNFFFSTN-QPUJVOFHSA-N -1 1 315.312 0.752 20 0 DCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H](O)c1cccc(F)c1 ZINC001575437284 1164013943 /nfs/dbraw/zinc/01/39/43/1164013943.db2.gz JUIARSMNFFFSTN-PRHODGIISA-N -1 1 315.312 0.752 20 0 DCADMM CC1(C)COC(=O)[C@@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001575736718 1164126488 /nfs/dbraw/zinc/12/64/88/1164126488.db2.gz ULALKADGTAUZQC-VIFPVBQESA-N -1 1 317.309 0.335 20 0 DCADMM CC1(C)COC(=O)[C@@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001575736718 1164126490 /nfs/dbraw/zinc/12/64/90/1164126490.db2.gz ULALKADGTAUZQC-VIFPVBQESA-N -1 1 317.309 0.335 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CC(C)C1 ZINC001575965404 1164195928 /nfs/dbraw/zinc/19/59/28/1164195928.db2.gz VNUMDEJDERIKQG-KYHHOPLUSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CC(C)C1 ZINC001575965404 1164195931 /nfs/dbraw/zinc/19/59/31/1164195931.db2.gz VNUMDEJDERIKQG-KYHHOPLUSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)Cc2cncnc21 ZINC001576311680 1164298498 /nfs/dbraw/zinc/29/84/98/1164298498.db2.gz GAHOOMDFYMOMOY-VIFPVBQESA-N -1 1 322.332 0.811 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)Cc2cncnc21 ZINC001576311680 1164298504 /nfs/dbraw/zinc/29/85/04/1164298504.db2.gz GAHOOMDFYMOMOY-VIFPVBQESA-N -1 1 322.332 0.811 20 0 DCADMM CCC(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576415284 1164333523 /nfs/dbraw/zinc/33/35/23/1164333523.db2.gz OUPFQUKGXIXQPQ-CQSZACIVSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576415284 1164333532 /nfs/dbraw/zinc/33/35/32/1164333532.db2.gz OUPFQUKGXIXQPQ-CQSZACIVSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001576430894 1164339707 /nfs/dbraw/zinc/33/97/07/1164339707.db2.gz WUTVUMVQHLQBKH-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001576430894 1164339714 /nfs/dbraw/zinc/33/97/14/1164339714.db2.gz WUTVUMVQHLQBKH-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001576425171 1164340757 /nfs/dbraw/zinc/34/07/57/1164340757.db2.gz FWOMXYSOZVDGHA-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001576425171 1164340762 /nfs/dbraw/zinc/34/07/62/1164340762.db2.gz FWOMXYSOZVDGHA-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576440783 1164345742 /nfs/dbraw/zinc/34/57/42/1164345742.db2.gz LRXIRFFDQUYFKB-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001576470857 1164353170 /nfs/dbraw/zinc/35/31/70/1164353170.db2.gz GTFISTQOCALYHG-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576470540 1164354497 /nfs/dbraw/zinc/35/44/97/1164354497.db2.gz GEKQLAZNMYPIGW-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576470540 1164354503 /nfs/dbraw/zinc/35/45/03/1164354503.db2.gz GEKQLAZNMYPIGW-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NCCOCCCNc1nccnc1-c1nnn[n-]1 ZINC001576476348 1164357807 /nfs/dbraw/zinc/35/78/07/1164357807.db2.gz SWPYSSYZUHAYDT-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM CCC(=O)NCCOCCCNc1nccnc1-c1nn[n-]n1 ZINC001576476348 1164357810 /nfs/dbraw/zinc/35/78/10/1164357810.db2.gz SWPYSSYZUHAYDT-UHFFFAOYSA-N -1 1 320.357 0.002 20 0 DCADMM CC[C@@](C)(O)CNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001576557831 1164391916 /nfs/dbraw/zinc/39/19/16/1164391916.db2.gz RIUCMYRRGGZSDP-CYBMUJFWSA-N -1 1 321.341 0.553 20 0 DCADMM CC[C@H](C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576564559 1164393386 /nfs/dbraw/zinc/39/33/86/1164393386.db2.gz SJHNJDROPOWTQK-UWVGGRQHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576564559 1164393392 /nfs/dbraw/zinc/39/33/92/1164393392.db2.gz SJHNJDROPOWTQK-UWVGGRQHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576571552 1164398906 /nfs/dbraw/zinc/39/89/06/1164398906.db2.gz GYBUMTJWNQCVAH-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@@H](C)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576571552 1164398912 /nfs/dbraw/zinc/39/89/12/1164398912.db2.gz GYBUMTJWNQCVAH-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@H](C)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576580939 1164404193 /nfs/dbraw/zinc/40/41/93/1164404193.db2.gz HEIFRZAGQKJLSE-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](C)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576580939 1164404200 /nfs/dbraw/zinc/40/42/00/1164404200.db2.gz HEIFRZAGQKJLSE-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](C)CC(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576615594 1164414729 /nfs/dbraw/zinc/41/47/29/1164414729.db2.gz KURPFPGMGRBPOD-JTQLQIEISA-N -1 1 318.385 0.385 20 0 DCADMM CC[C@H](C)CC(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576628462 1164418232 /nfs/dbraw/zinc/41/82/32/1164418232.db2.gz ABAXSJNWLYJUIC-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CCC(CC)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001576733008 1164445232 /nfs/dbraw/zinc/44/52/32/1164445232.db2.gz MYFXNYDAHFQTQO-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCC(CC)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001576733008 1164445241 /nfs/dbraw/zinc/44/52/41/1164445241.db2.gz MYFXNYDAHFQTQO-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H](CNC(=O)C1(C)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001576780720 1164461555 /nfs/dbraw/zinc/46/15/55/1164461555.db2.gz ZRKGZQWYDRGEFY-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)C1(C)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001576780720 1164461560 /nfs/dbraw/zinc/46/15/60/1164461560.db2.gz ZRKGZQWYDRGEFY-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)[C@@H](F)CC)Nc1nccnc1-c1nnn[n-]1 ZINC001576777669 1164461987 /nfs/dbraw/zinc/46/19/87/1164461987.db2.gz NYTOIAYCVCYQCI-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](CNC(=O)[C@@H](F)CC)Nc1nccnc1-c1nn[n-]n1 ZINC001576777669 1164461990 /nfs/dbraw/zinc/46/19/90/1164461990.db2.gz NYTOIAYCVCYQCI-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)N(CC)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576926888 1164536108 /nfs/dbraw/zinc/53/61/08/1164536108.db2.gz KYNVZUQGABIBSB-SECBINFHSA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@@H](F)C(=O)N(CC)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576926888 1164536117 /nfs/dbraw/zinc/53/61/17/1164536117.db2.gz KYNVZUQGABIBSB-SECBINFHSA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576939487 1164544839 /nfs/dbraw/zinc/54/48/39/1164544839.db2.gz FEMGXHQFCRQMCV-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576939487 1164544845 /nfs/dbraw/zinc/54/48/45/1164544845.db2.gz FEMGXHQFCRQMCV-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576943508 1164549001 /nfs/dbraw/zinc/54/90/01/1164549001.db2.gz VHADPEYFPKGGKW-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576943508 1164549007 /nfs/dbraw/zinc/54/90/07/1164549007.db2.gz VHADPEYFPKGGKW-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001576953447 1164553099 /nfs/dbraw/zinc/55/30/99/1164553099.db2.gz GOPGITKNJKBCIR-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001576953447 1164553103 /nfs/dbraw/zinc/55/31/03/1164553103.db2.gz GOPGITKNJKBCIR-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CN(CCCNC(=O)c1ncccc1[O-])C(=O)C1=COCCO1 ZINC001576974526 1164566628 /nfs/dbraw/zinc/56/66/28/1164566628.db2.gz KSWBCHRZAYJWLO-UHFFFAOYSA-N -1 1 321.333 0.254 20 0 DCADMM CC[C@H]1CN(C(C)=O)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001577174083 1164621415 /nfs/dbraw/zinc/62/14/15/1164621415.db2.gz WXBBOQQNNMKMNK-WDEREUQCSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H]1CN(C(C)=O)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001577174083 1164621421 /nfs/dbraw/zinc/62/14/21/1164621421.db2.gz WXBBOQQNNMKMNK-WDEREUQCSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001577186979 1164628367 /nfs/dbraw/zinc/62/83/67/1164628367.db2.gz BIHHGCOHNPJFJB-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001577186979 1164628372 /nfs/dbraw/zinc/62/83/72/1164628372.db2.gz BIHHGCOHNPJFJB-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001577194081 1164629448 /nfs/dbraw/zinc/62/94/48/1164629448.db2.gz DOODMOUVZHPYJX-UWVGGRQHSA-N -1 1 316.369 0.280 20 0 DCADMM CCCC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001577213521 1164636019 /nfs/dbraw/zinc/63/60/19/1164636019.db2.gz FPSGYLOOFFCBHZ-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001577213521 1164636025 /nfs/dbraw/zinc/63/60/25/1164636025.db2.gz FPSGYLOOFFCBHZ-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CCCN(CCNC(=O)C(C)C)c1nccnc1-c1nnn[n-]1 ZINC001577582419 1164731061 /nfs/dbraw/zinc/73/10/61/1164731061.db2.gz VWGUCWVHVZZVET-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCCN(CCNC(=O)C(C)C)c1nccnc1-c1nn[n-]n1 ZINC001577582419 1164731065 /nfs/dbraw/zinc/73/10/65/1164731065.db2.gz VWGUCWVHVZZVET-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCCNC(=O)CCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001577678819 1164764277 /nfs/dbraw/zinc/76/42/77/1164764277.db2.gz GNVPTDXDCMTYJT-UHFFFAOYSA-N -1 1 317.353 0.184 20 0 DCADMM CCCNC(=O)CCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001577678819 1164764281 /nfs/dbraw/zinc/76/42/81/1164764281.db2.gz GNVPTDXDCMTYJT-UHFFFAOYSA-N -1 1 317.353 0.184 20 0 DCADMM CCN(C(C)=O)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577844770 1164811854 /nfs/dbraw/zinc/81/18/54/1164811854.db2.gz NHSSDYOFAZXYRZ-NSHDSACASA-N -1 1 316.369 0.412 20 0 DCADMM CCN(C(C)=O)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577844770 1164811862 /nfs/dbraw/zinc/81/18/62/1164811862.db2.gz NHSSDYOFAZXYRZ-NSHDSACASA-N -1 1 316.369 0.412 20 0 DCADMM CCN(CCNC(=O)C(C)C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001577924106 1164842945 /nfs/dbraw/zinc/84/29/45/1164842945.db2.gz SWTCNYLTMKBAIN-UHFFFAOYSA-N -1 1 318.385 0.564 20 0 DCADMM CCN(CCNC(=O)C(C)C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001577924106 1164842954 /nfs/dbraw/zinc/84/29/54/1164842954.db2.gz SWTCNYLTMKBAIN-UHFFFAOYSA-N -1 1 318.385 0.564 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@@H]1C)c1ccc(-c2nnn[n-]2)nn1 ZINC001577941466 1164852860 /nfs/dbraw/zinc/85/28/60/1164852860.db2.gz MLPANLPIVBPRLJ-VHSXEESVSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@@H]1C)c1ccc(-c2nn[n-]n2)nn1 ZINC001577941466 1164852865 /nfs/dbraw/zinc/85/28/65/1164852865.db2.gz MLPANLPIVBPRLJ-VHSXEESVSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)CC(C)C ZINC001578131826 1164931271 /nfs/dbraw/zinc/93/12/71/1164931271.db2.gz ZYXRMBBUYYXZBA-UHFFFAOYSA-N -1 1 318.385 0.385 20 0 DCADMM CCO[C@@H]1COCC[C@@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001578340993 1164976818 /nfs/dbraw/zinc/97/68/18/1164976818.db2.gz JNGVKPRCWZVGOY-PSASIEDQSA-N -1 1 321.341 0.360 20 0 DCADMM CCO[C@@H]1COCC[C@H]1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001578341302 1164977663 /nfs/dbraw/zinc/97/76/63/1164977663.db2.gz QWRXXWOOLYTKAB-WCBMZHEXSA-N -1 1 321.341 0.360 20 0 DCADMM CCO[C@@H]1COCC[C@H]1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001578341302 1164977667 /nfs/dbraw/zinc/97/76/67/1164977667.db2.gz QWRXXWOOLYTKAB-WCBMZHEXSA-N -1 1 321.341 0.360 20 0 DCADMM CCc1nc(NCCN(C)C(=O)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001578661742 1165082076 /nfs/dbraw/zinc/08/20/76/1165082076.db2.gz OXYDGRXZQCKYFN-UHFFFAOYSA-N -1 1 316.369 0.499 20 0 DCADMM CCc1nc(NCCN(C)C(=O)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001578661742 1165082080 /nfs/dbraw/zinc/08/20/80/1165082080.db2.gz OXYDGRXZQCKYFN-UHFFFAOYSA-N -1 1 316.369 0.499 20 0 DCADMM CCc1nc(NCCNC(=O)C=C(C)C)cc(-c2nnn[n-]2)n1 ZINC001578665606 1165083722 /nfs/dbraw/zinc/08/37/22/1165083722.db2.gz UGWVHXALWWJPAZ-UHFFFAOYSA-N -1 1 316.369 0.713 20 0 DCADMM CCc1nc(NCCNC(=O)C=C(C)C)cc(-c2nn[n-]n2)n1 ZINC001578665606 1165083728 /nfs/dbraw/zinc/08/37/28/1165083728.db2.gz UGWVHXALWWJPAZ-UHFFFAOYSA-N -1 1 316.369 0.713 20 0 DCADMM CCn1nc(C)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1Cl ZINC001578806282 1165121854 /nfs/dbraw/zinc/12/18/54/1165121854.db2.gz SDUQJBPAUDXBNC-UHFFFAOYSA-N -1 1 321.732 0.512 20 0 DCADMM CN(C(=O)C(F)(F)c1ccccc1-c1nn[nH]n1)c1nn[n-]n1 ZINC001578843378 1165138421 /nfs/dbraw/zinc/13/84/21/1165138421.db2.gz SKEFOFZSLBWZRX-UHFFFAOYSA-N -1 1 321.251 0.135 20 0 DCADMM CN(C(=O)c1ncc(Cl)cn1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578950173 1165167494 /nfs/dbraw/zinc/16/74/94/1165167494.db2.gz SYGDQRYLFKLETD-UHFFFAOYSA-N -1 1 316.712 0.982 20 0 DCADMM CN(Cc1cnccn1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001579268246 1165256146 /nfs/dbraw/zinc/25/61/46/1165256146.db2.gz SOORCLXPQNBNPD-UHFFFAOYSA-N -1 1 311.309 0.716 20 0 DCADMM CN(Cc1cnccn1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001579268246 1165256155 /nfs/dbraw/zinc/25/61/55/1165256155.db2.gz SOORCLXPQNBNPD-UHFFFAOYSA-N -1 1 311.309 0.716 20 0 DCADMM CN(Cc1ncon1)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001579265234 1165256769 /nfs/dbraw/zinc/25/67/69/1165256769.db2.gz APIILXOLGSKXCH-UHFFFAOYSA-N -1 1 321.247 0.800 20 0 DCADMM CN(Cc1ncon1)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001579265234 1165256775 /nfs/dbraw/zinc/25/67/75/1165256775.db2.gz APIILXOLGSKXCH-UHFFFAOYSA-N -1 1 321.247 0.800 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(-c3nnn[n-]3)o1)C2 ZINC001579472814 1165323052 /nfs/dbraw/zinc/32/30/52/1165323052.db2.gz KGMOKEICMOXKDK-KXEKKFMESA-N -1 1 317.305 0.531 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(-c3nn[n-]n3)o1)C2 ZINC001579472814 1165323059 /nfs/dbraw/zinc/32/30/59/1165323059.db2.gz KGMOKEICMOXKDK-KXEKKFMESA-N -1 1 317.305 0.531 20 0 DCADMM COC(=O)c1ccc(N2Cc3cncnc3C2)c(-c2nnn[n-]2)n1 ZINC001579483060 1165328675 /nfs/dbraw/zinc/32/86/75/1165328675.db2.gz WXINJPFQLNRCAQ-UHFFFAOYSA-N -1 1 324.304 0.359 20 0 DCADMM COC(=O)c1ccc(N2Cc3cncnc3C2)c(-c2nn[n-]n2)n1 ZINC001579483060 1165328680 /nfs/dbraw/zinc/32/86/80/1165328680.db2.gz WXINJPFQLNRCAQ-UHFFFAOYSA-N -1 1 324.304 0.359 20 0 DCADMM COC(=O)c1coc(CNc2cc(-c3nnn[n-]3)nc(C)n2)n1 ZINC001579491898 1165330829 /nfs/dbraw/zinc/33/08/29/1165330829.db2.gz QLGUPWLRFNEUOL-UHFFFAOYSA-N -1 1 316.281 0.352 20 0 DCADMM COC(=O)c1coc(CNc2cc(-c3nn[n-]n3)nc(C)n2)n1 ZINC001579491898 1165330833 /nfs/dbraw/zinc/33/08/33/1165330833.db2.gz QLGUPWLRFNEUOL-UHFFFAOYSA-N -1 1 316.281 0.352 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001579850440 1165412009 /nfs/dbraw/zinc/41/20/09/1165412009.db2.gz SCOLLHQIOLWGAX-NXEZZACHSA-N -1 1 319.325 0.187 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001579850440 1165412013 /nfs/dbraw/zinc/41/20/13/1165412013.db2.gz SCOLLHQIOLWGAX-NXEZZACHSA-N -1 1 319.325 0.187 20 0 DCADMM COc1cc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)[nH]n1 ZINC001579933868 1165442948 /nfs/dbraw/zinc/44/29/48/1165442948.db2.gz XXNOUISIIXSPFP-UHFFFAOYSA-N -1 1 316.281 0.260 20 0 DCADMM COc1ncc(NC(=O)c2nn(C)cc2C)cc1-c1nn[n-]n1 ZINC001580139856 1165516458 /nfs/dbraw/zinc/51/64/58/1165516458.db2.gz MBMVUVWXMWGIJZ-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM CS[C@H](C)C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001580188729 1165532732 /nfs/dbraw/zinc/53/27/32/1165532732.db2.gz ZGUPVHSRHPQKEM-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001580188729 1165532738 /nfs/dbraw/zinc/53/27/38/1165532738.db2.gz ZGUPVHSRHPQKEM-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H]1CCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001580205139 1165536750 /nfs/dbraw/zinc/53/67/50/1165536750.db2.gz OIWJBLQQLRUZPA-QMMMGPOBSA-N -1 1 320.378 0.853 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@H](C)OC[C@@H]1C ZINC001580597957 1165649496 /nfs/dbraw/zinc/64/94/96/1165649496.db2.gz PIXROHPDMHRYBX-IUCAKERBSA-N -1 1 318.337 0.525 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)[C@H](C)C(C)(C)O ZINC001580596773 1165649574 /nfs/dbraw/zinc/64/95/74/1165649574.db2.gz YZQPBEGNLPDCAT-MRVPVSSYSA-N -1 1 320.353 0.507 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H]1CCC=CO1 ZINC001580603402 1165652798 /nfs/dbraw/zinc/65/27/98/1165652798.db2.gz LSJHRSYUIZINBS-VIFPVBQESA-N -1 1 316.321 0.698 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC[C@@H](C)CCO ZINC001580605740 1165654612 /nfs/dbraw/zinc/65/46/12/1165654612.db2.gz HCLBXKFIFDPUNC-MRVPVSSYSA-N -1 1 320.353 0.414 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)[C@@H]2C[C@@H]2C)n1 ZINC001580639605 1165670522 /nfs/dbraw/zinc/67/05/22/1165670522.db2.gz JXZZFOWMOUIYLK-WCBMZHEXSA-N -1 1 316.369 0.174 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)[C@@H]2C[C@@H]2C)n1 ZINC001580639605 1165670526 /nfs/dbraw/zinc/67/05/26/1165670526.db2.gz JXZZFOWMOUIYLK-WCBMZHEXSA-N -1 1 316.369 0.174 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CCNC(=O)C(C)C)n1 ZINC001580689192 1165688369 /nfs/dbraw/zinc/68/83/69/1165688369.db2.gz WDQOAFHVVXRJAP-SECBINFHSA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CCNC(=O)C(C)C)n1 ZINC001580689192 1165688375 /nfs/dbraw/zinc/68/83/75/1165688375.db2.gz WDQOAFHVVXRJAP-SECBINFHSA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCNC(=O)[C@H]2C[C@H]2C)n1 ZINC001580742184 1165708371 /nfs/dbraw/zinc/70/83/71/1165708371.db2.gz XOQULONVTDPJAY-SCZZXKLOSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCNC(=O)[C@H]2C[C@H]2C)n1 ZINC001580742184 1165708379 /nfs/dbraw/zinc/70/83/79/1165708379.db2.gz XOQULONVTDPJAY-SCZZXKLOSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1ccnc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001581278723 1165810152 /nfs/dbraw/zinc/81/01/52/1165810152.db2.gz CLYFURJUTBQNRS-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1nc(N[C@@H](CC(N)=O)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001581526595 1165839095 /nfs/dbraw/zinc/83/90/95/1165839095.db2.gz OOXZGWHNJHWHOM-NSHDSACASA-N -1 1 324.348 0.994 20 0 DCADMM Cc1nc(N[C@@H](CC(N)=O)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001581526595 1165839100 /nfs/dbraw/zinc/83/91/00/1165839100.db2.gz OOXZGWHNJHWHOM-NSHDSACASA-N -1 1 324.348 0.994 20 0 DCADMM Cc1nnc(SCc2ccc(-c3nnn[n-]3)o2)n1CC(N)=O ZINC001581611815 1165848945 /nfs/dbraw/zinc/84/89/45/1165848945.db2.gz GLOBEGYLHGYBNC-UHFFFAOYSA-N -1 1 320.338 0.137 20 0 DCADMM Cc1nnc(SCc2ccc(-c3nn[n-]n3)o2)n1CC(N)=O ZINC001581611815 1165848958 /nfs/dbraw/zinc/84/89/58/1165848958.db2.gz GLOBEGYLHGYBNC-UHFFFAOYSA-N -1 1 320.338 0.137 20 0 DCADMM Cc1noc(CN(C)C(=O)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001581636994 1165853793 /nfs/dbraw/zinc/85/37/93/1165853793.db2.gz ZSYULTVHBSJSIA-UHFFFAOYSA-N -1 1 315.297 0.617 20 0 DCADMM Cc1noc(CN(C)C(=O)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001581636994 1165853800 /nfs/dbraw/zinc/85/38/00/1165853800.db2.gz ZSYULTVHBSJSIA-UHFFFAOYSA-N -1 1 315.297 0.617 20 0 DCADMM Cc1noc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)n1 ZINC001581635795 1165854123 /nfs/dbraw/zinc/85/41/23/1165854123.db2.gz FTQDSCZCZZWLGV-UHFFFAOYSA-N -1 1 321.247 0.766 20 0 DCADMM Cc1noc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)n1 ZINC001581635795 1165854131 /nfs/dbraw/zinc/85/41/31/1165854131.db2.gz FTQDSCZCZZWLGV-UHFFFAOYSA-N -1 1 321.247 0.766 20 0 DCADMM Cc1nsc(N2CC[C@@H](NC(=O)C3CC3)C2)c1-c1nn[n-]n1 ZINC001581669843 1165857402 /nfs/dbraw/zinc/85/74/02/1165857402.db2.gz SDWOFLKATFSRMX-SECBINFHSA-N -1 1 319.394 0.737 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H](O)c1cncs1 ZINC001581727231 1165861803 /nfs/dbraw/zinc/86/18/03/1165861803.db2.gz OAIGKHRDDKALFG-QMMMGPOBSA-N -1 1 320.334 0.688 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H](O)c1cncs1 ZINC001581727231 1165861807 /nfs/dbraw/zinc/86/18/07/1165861807.db2.gz OAIGKHRDDKALFG-QMMMGPOBSA-N -1 1 320.334 0.688 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCn2cc(Cl)cn2)n1 ZINC001581753806 1165867842 /nfs/dbraw/zinc/86/78/42/1165867842.db2.gz TYKBADHCAVKMPQ-UHFFFAOYSA-N -1 1 321.732 0.479 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCn2cc(Cl)cn2)n1 ZINC001581753806 1165867849 /nfs/dbraw/zinc/86/78/49/1165867849.db2.gz TYKBADHCAVKMPQ-UHFFFAOYSA-N -1 1 321.732 0.479 20 0 DCADMM F[C@@H]1COc2ccccc2[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001581851152 1165887758 /nfs/dbraw/zinc/88/77/58/1165887758.db2.gz LRHZXLHWGSLLFW-SKDRFNHKSA-N -1 1 313.296 0.962 20 0 DCADMM FC(F)c1ccnc(CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001581851408 1165888096 /nfs/dbraw/zinc/88/80/96/1165888096.db2.gz VMVQJYSAIOARAS-UHFFFAOYSA-N -1 1 305.252 0.418 20 0 DCADMM NC(=O)[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001581887876 1165904559 /nfs/dbraw/zinc/90/45/59/1165904559.db2.gz SCQHBEVIFMXXLF-NSHDSACASA-N -1 1 314.284 0.434 20 0 DCADMM NC(=O)[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001581887876 1165904565 /nfs/dbraw/zinc/90/45/65/1165904565.db2.gz SCQHBEVIFMXXLF-NSHDSACASA-N -1 1 314.284 0.434 20 0 DCADMM NC(=O)c1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001581905379 1165908737 /nfs/dbraw/zinc/90/87/37/1165908737.db2.gz FWYPXOFWFQEWRE-UHFFFAOYSA-N -1 1 323.316 0.542 20 0 DCADMM NC(=O)c1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001581905379 1165908745 /nfs/dbraw/zinc/90/87/45/1165908745.db2.gz FWYPXOFWFQEWRE-UHFFFAOYSA-N -1 1 323.316 0.542 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(-c2cnco2)c1 ZINC001581909163 1165909460 /nfs/dbraw/zinc/90/94/60/1165909460.db2.gz RQBLAUIOWWSHSW-UHFFFAOYSA-N -1 1 322.288 0.989 20 0 DCADMM O=C(C1CCC1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001581931303 1165917218 /nfs/dbraw/zinc/91/72/18/1165917218.db2.gz GDKJLJVEQNURDA-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CCC1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001581931303 1165917224 /nfs/dbraw/zinc/91/72/24/1165917224.db2.gz GDKJLJVEQNURDA-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C=Cc1ccncn1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581956260 1165922521 /nfs/dbraw/zinc/92/25/21/1165922521.db2.gz RQLBPBDQTCOWLI-UPHRSURJSA-N -1 1 308.305 0.381 20 0 DCADMM O=C(C=Cc1ccncn1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581956260 1165922523 /nfs/dbraw/zinc/92/25/23/1165922523.db2.gz RQLBPBDQTCOWLI-UPHRSURJSA-N -1 1 308.305 0.381 20 0 DCADMM O=C(Cc1ccc(F)cn1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582142213 1165968187 /nfs/dbraw/zinc/96/81/87/1165968187.db2.gz IRZHDTUZACRBOG-UHFFFAOYSA-N -1 1 313.296 0.655 20 0 DCADMM O=C(Cc1ccc(F)cn1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582142213 1165968195 /nfs/dbraw/zinc/96/81/95/1165968195.db2.gz IRZHDTUZACRBOG-UHFFFAOYSA-N -1 1 313.296 0.655 20 0 DCADMM CCOCCCC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001582160735 1165973769 /nfs/dbraw/zinc/97/37/69/1165973769.db2.gz CJNNCULNQQLJPT-UHFFFAOYSA-N -1 1 321.377 0.792 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1CCO ZINC001582549230 1166038596 /nfs/dbraw/zinc/03/85/96/1166038596.db2.gz SOBRYFRWLKGWHQ-SECBINFHSA-N -1 1 322.394 0.985 20 0 DCADMM O=C(NCc1cnn(CCF)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582558179 1166043082 /nfs/dbraw/zinc/04/30/82/1166043082.db2.gz KQYMXRKHVATEAC-UHFFFAOYSA-N -1 1 316.300 0.358 20 0 DCADMM O=C(NCc1cnn(CCF)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582558179 1166043087 /nfs/dbraw/zinc/04/30/87/1166043087.db2.gz KQYMXRKHVATEAC-UHFFFAOYSA-N -1 1 316.300 0.358 20 0 DCADMM O=S(=O)([N-]CCC(F)F)c1ccc(-c2nn[nH]n2)cc1F ZINC001582795675 1166084064 /nfs/dbraw/zinc/08/40/64/1166084064.db2.gz NNLZHHQRFZNOLA-UHFFFAOYSA-N -1 1 321.284 0.939 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001582806810 1166085385 /nfs/dbraw/zinc/08/53/85/1166085385.db2.gz UKGLDRHSAJDWSI-QMTHXVAHSA-N -1 1 318.337 0.152 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccc(Cl)c(F)c1 ZINC001582806832 1166085923 /nfs/dbraw/zinc/08/59/23/1166085923.db2.gz RXRCRWFLRIDYOO-UHFFFAOYSA-N -1 1 322.687 0.970 20 0 DCADMM O=S1(=O)CCN(Cc2ccc(-c3nnn[n-]3)o2)[C@H]2CCC[C@H]21 ZINC001582802304 1166086095 /nfs/dbraw/zinc/08/60/95/1166086095.db2.gz OPSHQTCOCRWAGT-CMPLNLGQSA-N -1 1 323.378 0.611 20 0 DCADMM O=S1(=O)CCN(Cc2ccc(-c3nn[n-]n3)o2)[C@H]2CCC[C@H]21 ZINC001582802304 1166086100 /nfs/dbraw/zinc/08/61/00/1166086100.db2.gz OPSHQTCOCRWAGT-CMPLNLGQSA-N -1 1 323.378 0.611 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1F ZINC001582809837 1166088411 /nfs/dbraw/zinc/08/84/11/1166088411.db2.gz QHDJIGFIJNNZKJ-GFCCVEGCSA-N -1 1 314.324 0.838 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1F ZINC001582809837 1166088415 /nfs/dbraw/zinc/08/84/15/1166088415.db2.gz QHDJIGFIJNNZKJ-GFCCVEGCSA-N -1 1 314.324 0.838 20 0 DCADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC2(CC(=O)N2)CC1 ZINC001583971751 1166296681 /nfs/dbraw/zinc/29/66/81/1166296681.db2.gz RHVPQHIXBUSAJA-UHFFFAOYSA-N -1 1 302.334 0.554 20 0 DCADMM O=C(NCc1ccns1)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001584760501 1166363829 /nfs/dbraw/zinc/36/38/29/1166363829.db2.gz QVICJRBMDYRLTC-UHFFFAOYSA-N -1 1 317.330 0.653 20 0 DCADMM O=C(CCc1cncnc1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001586100512 1166477629 /nfs/dbraw/zinc/47/76/29/1166477629.db2.gz ZLHKTRLSMOVHOW-CQSZACIVSA-N -1 1 309.333 0.828 20 0 DCADMM C=C/C(C)=C/CC(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001588511901 1166557210 /nfs/dbraw/zinc/55/72/10/1166557210.db2.gz CNDBXWMZYOXGEZ-ONNFQVAWSA-N -1 1 314.353 0.707 20 0 DCADMM C=C/C(C)=C/CC(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001588511901 1166557221 /nfs/dbraw/zinc/55/72/21/1166557221.db2.gz CNDBXWMZYOXGEZ-ONNFQVAWSA-N -1 1 314.353 0.707 20 0 DCADMM CC(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001588807031 1166592625 /nfs/dbraw/zinc/59/26/25/1166592625.db2.gz VXJLCNLUHIAQOX-HZGVNTEJSA-N -1 1 307.383 0.910 20 0 DCADMM CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001588811587 1166594471 /nfs/dbraw/zinc/59/44/71/1166594471.db2.gz DRDHZINMNIYBTN-WPRPVWTQSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001588811587 1166594479 /nfs/dbraw/zinc/59/44/79/1166594479.db2.gz DRDHZINMNIYBTN-WPRPVWTQSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CC[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588809945 1166594489 /nfs/dbraw/zinc/59/44/89/1166594489.db2.gz OWSNAEIZAXNVOS-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588809945 1166594498 /nfs/dbraw/zinc/59/44/98/1166594498.db2.gz OWSNAEIZAXNVOS-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588810683 1166594761 /nfs/dbraw/zinc/59/47/61/1166594761.db2.gz FYBWDLBSCCKTIX-JTQLQIEISA-N -1 1 302.342 0.245 20 0 DCADMM CC(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588810683 1166594768 /nfs/dbraw/zinc/59/47/68/1166594768.db2.gz FYBWDLBSCCKTIX-JTQLQIEISA-N -1 1 302.342 0.245 20 0 DCADMM CC(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588809467 1166595307 /nfs/dbraw/zinc/59/53/07/1166595307.db2.gz FLOQIGOWBUKFKR-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588809467 1166595309 /nfs/dbraw/zinc/59/53/09/1166595309.db2.gz FLOQIGOWBUKFKR-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588813229 1166597510 /nfs/dbraw/zinc/59/75/10/1166597510.db2.gz VCXHHXAJKZZNII-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588813229 1166597514 /nfs/dbraw/zinc/59/75/14/1166597514.db2.gz VCXHHXAJKZZNII-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588819220 1166598714 /nfs/dbraw/zinc/59/87/14/1166598714.db2.gz WCHGHOLRSOYGLB-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588819220 1166598720 /nfs/dbraw/zinc/59/87/20/1166598720.db2.gz WCHGHOLRSOYGLB-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001588822079 1166600222 /nfs/dbraw/zinc/60/02/22/1166600222.db2.gz XKZDKHMPUJZVMO-SNVBAGLBSA-N -1 1 321.362 0.982 20 0 DCADMM CC(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001588837701 1166604049 /nfs/dbraw/zinc/60/40/49/1166604049.db2.gz FYLXGWSRCLCEPA-NSHDSACASA-N -1 1 302.342 0.292 20 0 DCADMM CC(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001588837701 1166604054 /nfs/dbraw/zinc/60/40/54/1166604054.db2.gz FYLXGWSRCLCEPA-NSHDSACASA-N -1 1 302.342 0.292 20 0 DCADMM CC(=O)NCCCCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588861584 1166611536 /nfs/dbraw/zinc/61/15/36/1166611536.db2.gz KFLAANYNBMEYPP-UHFFFAOYSA-N -1 1 304.358 0.765 20 0 DCADMM CC(=O)NCCCCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588861584 1166611540 /nfs/dbraw/zinc/61/15/40/1166611540.db2.gz KFLAANYNBMEYPP-UHFFFAOYSA-N -1 1 304.358 0.765 20 0 DCADMM CC(=O)[C@@H]1C[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C1(C)C ZINC001588889523 1166612954 /nfs/dbraw/zinc/61/29/54/1166612954.db2.gz RMCPQBFRXOSFPX-DTWKUNHWSA-N -1 1 303.326 0.537 20 0 DCADMM C[C@H](C(=O)OC1CCSCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589025683 1166629545 /nfs/dbraw/zinc/62/95/45/1166629545.db2.gz BAYAJAKUQWUKQM-SSDOTTSWSA-N -1 1 309.355 0.458 20 0 DCADMM C[C@@H](C(=O)OCc1cncs1)n1cnc(-c2nn[n-]n2)n1 ZINC001589033043 1166631351 /nfs/dbraw/zinc/63/13/51/1166631351.db2.gz UOQMHJGEIDRWSU-LURJTMIESA-N -1 1 306.311 0.219 20 0 DCADMM C[C@H](C(=O)OCC[C@H]1CCCCO1)n1cnc(-c2nn[n-]n2)n1 ZINC001589027934 1166631488 /nfs/dbraw/zinc/63/14/88/1166631488.db2.gz RGTUSADBNMTPRG-NXEZZACHSA-N -1 1 321.341 0.522 20 0 DCADMM Cc1cnc(C(=O)[N-]NC(=O)c2[nH]nc3c2CCCC3)cn1 ZINC000021129976 1166633965 /nfs/dbraw/zinc/63/39/65/1166633965.db2.gz ROXYUEHXTOBGNN-UHFFFAOYSA-N -1 1 300.322 0.462 20 0 DCADMM Cc1cnc(C(=O)N[N-]C(=O)c2n[nH]c3c2CCCC3)cn1 ZINC000021129976 1166633966 /nfs/dbraw/zinc/63/39/66/1166633966.db2.gz ROXYUEHXTOBGNN-UHFFFAOYSA-N -1 1 300.322 0.462 20 0 DCADMM CC(C)(C)[C@H](O)C[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589095148 1166635775 /nfs/dbraw/zinc/63/57/75/1166635775.db2.gz HHRQXZWRGIFOAS-PSASIEDQSA-N -1 1 307.358 0.227 20 0 DCADMM CC(C)(C)[C@H](O)C[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589095148 1166635776 /nfs/dbraw/zinc/63/57/76/1166635776.db2.gz HHRQXZWRGIFOAS-PSASIEDQSA-N -1 1 307.358 0.227 20 0 DCADMM CC(C)(C)N1C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC001589136018 1166637406 /nfs/dbraw/zinc/63/74/06/1166637406.db2.gz ZBWIYXROYOKACI-JTQLQIEISA-N -1 1 301.354 0.495 20 0 DCADMM CC(C)(C)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC001589136018 1166637411 /nfs/dbraw/zinc/63/74/11/1166637411.db2.gz ZBWIYXROYOKACI-JTQLQIEISA-N -1 1 301.354 0.495 20 0 DCADMM CC(C)(C)n1nnc(CNc2ncncc2-c2nn[n-]n2)n1 ZINC001589264059 1166641767 /nfs/dbraw/zinc/64/17/67/1166641767.db2.gz LJRJMEZALYWJHG-UHFFFAOYSA-N -1 1 301.318 0.010 20 0 DCADMM CC(C)(C)n1[nH]cnc1=NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589265647 1166642135 /nfs/dbraw/zinc/64/21/35/1166642135.db2.gz NYGXYHDNTJRDEQ-UHFFFAOYSA-N -1 1 313.325 0.282 20 0 DCADMM CC(C)(C)n1[nH]cnc1=NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589265647 1166642140 /nfs/dbraw/zinc/64/21/40/1166642140.db2.gz NYGXYHDNTJRDEQ-UHFFFAOYSA-N -1 1 313.325 0.282 20 0 DCADMM CC(C)=CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001589366803 1166651956 /nfs/dbraw/zinc/65/19/56/1166651956.db2.gz CIAKYVFGHHMRQU-UHFFFAOYSA-N -1 1 314.353 0.684 20 0 DCADMM CC(C)=CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001589366803 1166651960 /nfs/dbraw/zinc/65/19/60/1166651960.db2.gz CIAKYVFGHHMRQU-UHFFFAOYSA-N -1 1 314.353 0.684 20 0 DCADMM CC(C)=CC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001589354472 1166652406 /nfs/dbraw/zinc/65/24/06/1166652406.db2.gz RDAGYJFQRMAXQY-UHFFFAOYSA-N -1 1 302.342 0.493 20 0 DCADMM CC(C)=CC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001589354472 1166652411 /nfs/dbraw/zinc/65/24/11/1166652411.db2.gz RDAGYJFQRMAXQY-UHFFFAOYSA-N -1 1 302.342 0.493 20 0 DCADMM CC(C)=CC(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001589363127 1166652727 /nfs/dbraw/zinc/65/27/27/1166652727.db2.gz ZADHFDVMDAEAOR-SNVBAGLBSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)=CC(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001589363127 1166652732 /nfs/dbraw/zinc/65/27/32/1166652732.db2.gz ZADHFDVMDAEAOR-SNVBAGLBSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589480769 1166662252 /nfs/dbraw/zinc/66/22/52/1166662252.db2.gz VDFYVMGUDNFRFE-ZETCQYMHSA-N -1 1 317.396 0.223 20 0 DCADMM CC(C)[C@@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589480769 1166662254 /nfs/dbraw/zinc/66/22/54/1166662254.db2.gz VDFYVMGUDNFRFE-ZETCQYMHSA-N -1 1 317.396 0.223 20 0 DCADMM CC(C)C[C@@H]1C(=O)NCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001589572587 1166666774 /nfs/dbraw/zinc/66/67/74/1166666774.db2.gz QOVUAROKTFDXDP-SNVBAGLBSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)C[C@@H]1C(=O)NCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001589572587 1166666779 /nfs/dbraw/zinc/66/67/79/1166666779.db2.gz QOVUAROKTFDXDP-SNVBAGLBSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)CO[C@@H](C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001589638981 1166671275 /nfs/dbraw/zinc/67/12/75/1166671275.db2.gz LCZCAEBIZKYLLO-JTQLQIEISA-N -1 1 304.354 0.939 20 0 DCADMM CC(C)CO[C@@H](C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001589638981 1166671279 /nfs/dbraw/zinc/67/12/79/1166671279.db2.gz LCZCAEBIZKYLLO-JTQLQIEISA-N -1 1 304.354 0.939 20 0 DCADMM CC(C)NC(=O)CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589720197 1166676810 /nfs/dbraw/zinc/67/68/10/1166676810.db2.gz GTMYXVVQVJXUEI-UHFFFAOYSA-N -1 1 318.341 0.298 20 0 DCADMM CC(C)NC(=O)CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589720197 1166676815 /nfs/dbraw/zinc/67/68/15/1166676815.db2.gz GTMYXVVQVJXUEI-UHFFFAOYSA-N -1 1 318.341 0.298 20 0 DCADMM CC(C)OC[C@@H](O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589746453 1166681387 /nfs/dbraw/zinc/68/13/87/1166681387.db2.gz RZCGSMIVEHCLKL-SNVBAGLBSA-N -1 1 307.310 0.204 20 0 DCADMM CC(C)OC[C@@H](O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589746453 1166681392 /nfs/dbraw/zinc/68/13/92/1166681392.db2.gz RZCGSMIVEHCLKL-SNVBAGLBSA-N -1 1 307.310 0.204 20 0 DCADMM C[C@@H](CC(=O)NCCNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001589791952 1166688840 /nfs/dbraw/zinc/68/88/40/1166688840.db2.gz NEZRFJSZHKJQOF-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CC(=O)NCCNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001589791952 1166688844 /nfs/dbraw/zinc/68/88/44/1166688844.db2.gz NEZRFJSZHKJQOF-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](COCC1CC1)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589884430 1166708593 /nfs/dbraw/zinc/70/85/93/1166708593.db2.gz DMLAGGPARHPGRZ-SNVBAGLBSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@H](COCC1CC1)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589884430 1166708595 /nfs/dbraw/zinc/70/85/95/1166708595.db2.gz DMLAGGPARHPGRZ-SNVBAGLBSA-N -1 1 316.365 0.736 20 0 DCADMM C[C@H](CSCC[NH2+]Cc1cccc(-c2nn[n-]n2)n1)C(=O)[O-] ZINC001589890175 1166711305 /nfs/dbraw/zinc/71/13/05/1166711305.db2.gz VWOTVNRAFYKLOX-SECBINFHSA-N -1 1 322.394 0.805 20 0 DCADMM C[C@H](C[S@@](C)=O)N(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589889389 1166711939 /nfs/dbraw/zinc/71/19/39/1166711939.db2.gz RHDARWXCBMVXJU-CWMRNNLJSA-N -1 1 321.410 0.737 20 0 DCADMM C[C@H](C[S@@](C)=O)N(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589889389 1166711958 /nfs/dbraw/zinc/71/19/58/1166711958.db2.gz RHDARWXCBMVXJU-CWMRNNLJSA-N -1 1 321.410 0.737 20 0 DCADMM C[C@@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCOC1 ZINC001589934742 1166723947 /nfs/dbraw/zinc/72/39/47/1166723947.db2.gz NVDAIHNGGLTXFP-HTQZYQBOSA-N -1 1 323.382 0.547 20 0 DCADMM C[C@@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCOC1 ZINC001589934742 1166723955 /nfs/dbraw/zinc/72/39/55/1166723955.db2.gz NVDAIHNGGLTXFP-HTQZYQBOSA-N -1 1 323.382 0.547 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cncs1 ZINC001589938793 1166725347 /nfs/dbraw/zinc/72/53/47/1166725347.db2.gz NBZCWDCUVLFBBC-ZCFIWIBFSA-N -1 1 319.354 0.939 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cncs1 ZINC001589938793 1166725351 /nfs/dbraw/zinc/72/53/51/1166725351.db2.gz NBZCWDCUVLFBBC-ZCFIWIBFSA-N -1 1 319.354 0.939 20 0 DCADMM C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1nncn1C ZINC001589948508 1166728266 /nfs/dbraw/zinc/72/82/66/1166728266.db2.gz LYKOJANWECTUDG-LURJTMIESA-N -1 1 304.339 0.548 20 0 DCADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)[C@H](O)C(F)(F)F ZINC001589972562 1166732314 /nfs/dbraw/zinc/73/23/14/1166732314.db2.gz JIBXIWAKOJRXMB-FFWSUHOLSA-N -1 1 308.289 0.725 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccn1 ZINC001589977011 1166735485 /nfs/dbraw/zinc/73/54/85/1166735485.db2.gz XQNRPRQDTIQKPF-MRVPVSSYSA-N -1 1 320.334 0.894 20 0 DCADMM C[C@@]1(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)C=CCC1 ZINC001590070434 1166763853 /nfs/dbraw/zinc/76/38/53/1166763853.db2.gz XRAVLBSOOKYGGP-CQSZACIVSA-N -1 1 314.353 0.541 20 0 DCADMM C[C@@]1(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)C=CCC1 ZINC001590070434 1166763862 /nfs/dbraw/zinc/76/38/62/1166763862.db2.gz XRAVLBSOOKYGGP-CQSZACIVSA-N -1 1 314.353 0.541 20 0 DCADMM CC1(C)C[C@](C)(NCc2cccc(-c3nnn[n-]3)n2)C(=O)O1 ZINC001590079713 1166768120 /nfs/dbraw/zinc/76/81/20/1166768120.db2.gz FNOPTPPAEULXNX-AWEZNQCLSA-N -1 1 302.338 0.836 20 0 DCADMM CC1(C)C[C@](C)(NCc2cccc(-c3nn[n-]n3)n2)C(=O)O1 ZINC001590079713 1166768123 /nfs/dbraw/zinc/76/81/23/1166768123.db2.gz FNOPTPPAEULXNX-AWEZNQCLSA-N -1 1 302.338 0.836 20 0 DCADMM CC1(C)[C@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)[C@@H]2CCO[C@H]21 ZINC001590077267 1166768531 /nfs/dbraw/zinc/76/85/31/1166768531.db2.gz ROADHAASXZNHNG-MVWJERBFSA-N -1 1 314.349 0.805 20 0 DCADMM CC1(C)[C@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)[C@@H]2CCO[C@H]21 ZINC001590077267 1166768538 /nfs/dbraw/zinc/76/85/38/1166768538.db2.gz ROADHAASXZNHNG-MVWJERBFSA-N -1 1 314.349 0.805 20 0 DCADMM CC1(C)C[C@H](O)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590084597 1166771948 /nfs/dbraw/zinc/77/19/48/1166771948.db2.gz GNZKRWGAXXWKKN-JTQLQIEISA-N -1 1 317.353 0.886 20 0 DCADMM CC1(C)C[C@H](O)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590084597 1166771953 /nfs/dbraw/zinc/77/19/53/1166771953.db2.gz GNZKRWGAXXWKKN-JTQLQIEISA-N -1 1 317.353 0.886 20 0 DCADMM CC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC[S@@]1=O ZINC001590100058 1166773170 /nfs/dbraw/zinc/77/31/70/1166773170.db2.gz OSTJOBIHAPJXIJ-NRFANRHFSA-N -1 1 307.383 0.394 20 0 DCADMM CC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC[S@@]1=O ZINC001590100058 1166773177 /nfs/dbraw/zinc/77/31/77/1166773177.db2.gz OSTJOBIHAPJXIJ-NRFANRHFSA-N -1 1 307.383 0.394 20 0 DCADMM C[C@@]12COC[C@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001590154134 1166790766 /nfs/dbraw/zinc/79/07/66/1166790766.db2.gz AURHJAUGDRVDEY-QMTHXVAHSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@@]12COC[C@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001590154134 1166790772 /nfs/dbraw/zinc/79/07/72/1166790772.db2.gz AURHJAUGDRVDEY-QMTHXVAHSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@@H]1[C@H](CO)CCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590167148 1166796314 /nfs/dbraw/zinc/79/63/14/1166796314.db2.gz BOAOYIUELZHARJ-SFYZADRCSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H]1[C@H](CO)CCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590167148 1166796322 /nfs/dbraw/zinc/79/63/22/1166796322.db2.gz BOAOYIUELZHARJ-SFYZADRCSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590169859 1166797970 /nfs/dbraw/zinc/79/79/70/1166797970.db2.gz ZIWKOABAWLPNBA-UWCLWIGYSA-N -1 1 312.424 0.665 20 0 DCADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590169859 1166797975 /nfs/dbraw/zinc/79/79/75/1166797975.db2.gz ZIWKOABAWLPNBA-UWCLWIGYSA-N -1 1 312.424 0.665 20 0 DCADMM C[C@@H]1C[C@@H](C)N(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2C)C1 ZINC001590191137 1166802401 /nfs/dbraw/zinc/80/24/01/1166802401.db2.gz PSSAOFVWIKEPHV-HTQZYQBOSA-N -1 1 314.357 0.620 20 0 DCADMM C[C@@H]1C[C@H](C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)CO1 ZINC001590183563 1166803599 /nfs/dbraw/zinc/80/35/99/1166803599.db2.gz XZYGLPBQVIYLLU-ZJUUUORDSA-N -1 1 314.349 0.966 20 0 DCADMM C[C@@H]1C[C@H](C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)CO1 ZINC001590183563 1166803601 /nfs/dbraw/zinc/80/36/01/1166803601.db2.gz XZYGLPBQVIYLLU-ZJUUUORDSA-N -1 1 314.349 0.966 20 0 DCADMM C[C@H]1C[C@H](NCc2nc(-c3nnn[n-]3)cs2)c2ncnn21 ZINC001590206051 1166811174 /nfs/dbraw/zinc/81/11/74/1166811174.db2.gz SKKXLFXUHMNNTQ-BQBZGAKWSA-N -1 1 303.355 0.710 20 0 DCADMM C[C@H]1C[C@H](NCc2nc(-c3nn[n-]n3)cs2)c2ncnn21 ZINC001590206051 1166811178 /nfs/dbraw/zinc/81/11/78/1166811178.db2.gz SKKXLFXUHMNNTQ-BQBZGAKWSA-N -1 1 303.355 0.710 20 0 DCADMM C[C@@H]1CC[C@H](C(=O)NCCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590222328 1166818424 /nfs/dbraw/zinc/81/84/24/1166818424.db2.gz GFJKUVSREGCZKH-ZJUUUORDSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H]1CC[C@H](C(=O)NCCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590222328 1166818435 /nfs/dbraw/zinc/81/84/35/1166818435.db2.gz GFJKUVSREGCZKH-ZJUUUORDSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001590263722 1166829213 /nfs/dbraw/zinc/82/92/13/1166829213.db2.gz KPUYNJXZTYQPAP-JOYOIKCWSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001590263722 1166829215 /nfs/dbraw/zinc/82/92/15/1166829215.db2.gz KPUYNJXZTYQPAP-JOYOIKCWSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)CCS1(=O)=O ZINC001590272862 1166834621 /nfs/dbraw/zinc/83/46/21/1166834621.db2.gz SMSVFHHKJJRGLX-VIFPVBQESA-N -1 1 311.367 0.469 20 0 DCADMM C[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)o2)CCS1(=O)=O ZINC001590272862 1166834627 /nfs/dbraw/zinc/83/46/27/1166834627.db2.gz SMSVFHHKJJRGLX-VIFPVBQESA-N -1 1 311.367 0.469 20 0 DCADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)[C@H]1CO ZINC001590275505 1166838758 /nfs/dbraw/zinc/83/87/58/1166838758.db2.gz CWCYWFKYWJUCRE-KWQFWETISA-N -1 1 301.354 0.741 20 0 DCADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)[C@H]1CO ZINC001590275505 1166838761 /nfs/dbraw/zinc/83/87/61/1166838761.db2.gz CWCYWFKYWJUCRE-KWQFWETISA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC(C)(C)O1 ZINC001590298268 1166844281 /nfs/dbraw/zinc/84/42/81/1166844281.db2.gz TUHFALOQTNLXKQ-SECBINFHSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC(C)(C)O1 ZINC001590298268 1166844290 /nfs/dbraw/zinc/84/42/90/1166844290.db2.gz TUHFALOQTNLXKQ-SECBINFHSA-N -1 1 302.338 0.901 20 0 DCADMM C[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@@H](C(F)(F)F)O1 ZINC001590321295 1166862570 /nfs/dbraw/zinc/86/25/70/1166862570.db2.gz VBUMNNVFAXEWIB-SVRRBLITSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1OCC[C@]12CN(c1ncncc1-c1nn[n-]n1)CCO2 ZINC001590333834 1166871103 /nfs/dbraw/zinc/87/11/03/1166871103.db2.gz LEWZJLDKKDXIBS-RNCFNFMXSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1OCC[C@@]12CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001590334673 1166873724 /nfs/dbraw/zinc/87/37/24/1166873724.db2.gz SQANEALGCGYGPV-NOZJJQNGSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1OCC[C@@]12CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001590334673 1166873732 /nfs/dbraw/zinc/87/37/32/1166873732.db2.gz SQANEALGCGYGPV-NOZJJQNGSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1OCC[C@@]1(O)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590335239 1166874208 /nfs/dbraw/zinc/87/42/08/1166874208.db2.gz VLCWHARRHDMEJY-RMLUDKJBSA-N -1 1 317.353 0.486 20 0 DCADMM C[C@@H]1OCC[C@@]1(O)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590335239 1166874215 /nfs/dbraw/zinc/87/42/15/1166874215.db2.gz VLCWHARRHDMEJY-RMLUDKJBSA-N -1 1 317.353 0.486 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590342870 1166876616 /nfs/dbraw/zinc/87/66/16/1166876616.db2.gz KVHACRWFABVEAM-RUDMXATFSA-N -1 1 302.342 0.493 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590342870 1166876622 /nfs/dbraw/zinc/87/66/22/1166876622.db2.gz KVHACRWFABVEAM-RUDMXATFSA-N -1 1 302.342 0.493 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590347315 1166878338 /nfs/dbraw/zinc/87/83/38/1166878338.db2.gz OSNYZVAFROVOHU-BNFOFFDWSA-N -1 1 314.353 0.318 20 0 DCADMM CCC(=O)N1CC[C@@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590360936 1166884406 /nfs/dbraw/zinc/88/44/06/1166884406.db2.gz PLXRNWUHDRQELE-SNVBAGLBSA-N -1 1 315.337 0.002 20 0 DCADMM CCC(=O)N1CC[C@@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590360936 1166884410 /nfs/dbraw/zinc/88/44/10/1166884410.db2.gz PLXRNWUHDRQELE-SNVBAGLBSA-N -1 1 315.337 0.002 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001590361206 1166884726 /nfs/dbraw/zinc/88/47/26/1166884726.db2.gz ZIGYGRMIWQMETA-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001590361206 1166884730 /nfs/dbraw/zinc/88/47/30/1166884730.db2.gz ZIGYGRMIWQMETA-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001590360129 1166885269 /nfs/dbraw/zinc/88/52/69/1166885269.db2.gz RJITYMLYTKJZRG-NXEZZACHSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001590360129 1166885272 /nfs/dbraw/zinc/88/52/72/1166885272.db2.gz RJITYMLYTKJZRG-NXEZZACHSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001590362438 1166886262 /nfs/dbraw/zinc/88/62/62/1166886262.db2.gz LDSNGULVJWSGJN-UHFFFAOYSA-N -1 1 313.774 0.993 20 0 DCADMM CCC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590362431 1166887096 /nfs/dbraw/zinc/88/70/96/1166887096.db2.gz KVJYFBJOKFMORB-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM CCC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590362431 1166887099 /nfs/dbraw/zinc/88/70/99/1166887099.db2.gz KVJYFBJOKFMORB-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590395283 1166896373 /nfs/dbraw/zinc/89/63/73/1166896373.db2.gz ZWTNVGQIBWJHGQ-RKDXNWHRSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590395283 1166896401 /nfs/dbraw/zinc/89/64/01/1166896401.db2.gz ZWTNVGQIBWJHGQ-RKDXNWHRSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](C)[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590400658 1166896833 /nfs/dbraw/zinc/89/68/33/1166896833.db2.gz SCMGAZYBRFFIGT-KCJUWKMLSA-N -1 1 318.337 0.579 20 0 DCADMM CC[C@@H](C)[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)OC ZINC001590400658 1166896840 /nfs/dbraw/zinc/89/68/40/1166896840.db2.gz SCMGAZYBRFFIGT-KCJUWKMLSA-N -1 1 318.337 0.579 20 0 DCADMM CC[C@@H](CSC)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590446706 1166908602 /nfs/dbraw/zinc/90/86/02/1166908602.db2.gz GKBBSAQHHBGEEO-SFYZADRCSA-N -1 1 310.387 0.277 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590451759 1166910255 /nfs/dbraw/zinc/91/02/55/1166910255.db2.gz MLHOMSXYMNDZPB-MRVPVSSYSA-N -1 1 308.321 0.275 20 0 DCADMM CC[C@@H](F)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590451759 1166910260 /nfs/dbraw/zinc/91/02/60/1166910260.db2.gz MLHOMSXYMNDZPB-MRVPVSSYSA-N -1 1 308.321 0.275 20 0 DCADMM CCC1(CC)CN(c2ccnc(-c3nn[n-]n3)n2)CC[S@]1=O ZINC001590494816 1166923424 /nfs/dbraw/zinc/92/34/24/1166923424.db2.gz ZCWQINBOSUBSPX-JOCHJYFZSA-N -1 1 321.410 0.784 20 0 DCADMM CCC1(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC001590495184 1166924635 /nfs/dbraw/zinc/92/46/35/1166924635.db2.gz FNQIUDDUTULACU-VIFPVBQESA-N -1 1 304.358 0.858 20 0 DCADMM CC[C@@H]1C[C@@H](C)CN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590502868 1166927590 /nfs/dbraw/zinc/92/75/90/1166927590.db2.gz FHRQGRLASSTYCH-NXEZZACHSA-N -1 1 319.373 0.288 20 0 DCADMM CC[C@H]1CCCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590512426 1166931042 /nfs/dbraw/zinc/93/10/42/1166931042.db2.gz BPXIRHNNOVKRRN-VIFPVBQESA-N -1 1 305.346 0.042 20 0 DCADMM CCCC(=O)NCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590536453 1166935283 /nfs/dbraw/zinc/93/52/83/1166935283.db2.gz IPNUZOIWQTUJKX-UHFFFAOYSA-N -1 1 304.310 0.221 20 0 DCADMM CCCC(=O)NCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590536453 1166935290 /nfs/dbraw/zinc/93/52/90/1166935290.db2.gz IPNUZOIWQTUJKX-UHFFFAOYSA-N -1 1 304.310 0.221 20 0 DCADMM CCCC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590534333 1166938010 /nfs/dbraw/zinc/93/80/10/1166938010.db2.gz UQSTWQVYGGURMP-SECBINFHSA-N -1 1 304.358 0.716 20 0 DCADMM CCCC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590534333 1166938017 /nfs/dbraw/zinc/93/80/17/1166938017.db2.gz UQSTWQVYGGURMP-SECBINFHSA-N -1 1 304.358 0.716 20 0 DCADMM CCC[C@H](C)[C@@H](CO)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590546930 1166939439 /nfs/dbraw/zinc/93/94/39/1166939439.db2.gz AXNVZAGRCVJEMZ-JOYOIKCWSA-N -1 1 304.354 0.789 20 0 DCADMM CCC[C@H](C)[C@@H](CO)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590546930 1166939444 /nfs/dbraw/zinc/93/94/44/1166939444.db2.gz AXNVZAGRCVJEMZ-JOYOIKCWSA-N -1 1 304.354 0.789 20 0 DCADMM CCCC(=O)N1CCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590549879 1166941151 /nfs/dbraw/zinc/94/11/51/1166941151.db2.gz WDEOPNBEWAPLAA-SECBINFHSA-N -1 1 318.341 0.319 20 0 DCADMM CCCC(=O)N1CCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590549879 1166941157 /nfs/dbraw/zinc/94/11/57/1166941157.db2.gz WDEOPNBEWAPLAA-SECBINFHSA-N -1 1 318.341 0.319 20 0 DCADMM CCC[C@@H](O)[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590559447 1166944999 /nfs/dbraw/zinc/94/49/99/1166944999.db2.gz GRKYNLPDDSNXHX-NTSWFWBYSA-N -1 1 318.790 0.910 20 0 DCADMM CCC[C@@H](O)[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590559447 1166945005 /nfs/dbraw/zinc/94/50/05/1166945005.db2.gz GRKYNLPDDSNXHX-NTSWFWBYSA-N -1 1 318.790 0.910 20 0 DCADMM CCCCCN(CC(N)=O)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001590596282 1166946559 /nfs/dbraw/zinc/94/65/59/1166946559.db2.gz GTRSETAZZQIYIF-UHFFFAOYSA-N -1 1 304.358 0.447 20 0 DCADMM CCCCCN(CC(N)=O)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001590596282 1166946563 /nfs/dbraw/zinc/94/65/63/1166946563.db2.gz GTRSETAZZQIYIF-UHFFFAOYSA-N -1 1 304.358 0.447 20 0 DCADMM CCC[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCO1 ZINC001590569763 1166946901 /nfs/dbraw/zinc/94/69/01/1166946901.db2.gz UZTYOXSVKBEKNF-LLVKDONJSA-N -1 1 304.354 0.487 20 0 DCADMM CCCCS(=O)(=O)CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590611216 1166948269 /nfs/dbraw/zinc/94/82/69/1166948269.db2.gz JFUUMGKNHCGWJB-UHFFFAOYSA-N -1 1 324.366 0.415 20 0 DCADMM CCCCS(=O)(=O)CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590611216 1166948273 /nfs/dbraw/zinc/94/82/73/1166948273.db2.gz JFUUMGKNHCGWJB-UHFFFAOYSA-N -1 1 324.366 0.415 20 0 DCADMM CCC[C@H]1NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001590654329 1166961542 /nfs/dbraw/zinc/96/15/42/1166961542.db2.gz WXUYFBSENPVSDO-ZCFIWIBFSA-N -1 1 307.339 0.544 20 0 DCADMM CCC[C@H]1NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001590654329 1166961547 /nfs/dbraw/zinc/96/15/47/1166961547.db2.gz WXUYFBSENPVSDO-ZCFIWIBFSA-N -1 1 307.339 0.544 20 0 DCADMM CCN1C[C@@H](c2noc(-c3coc(-c4nnn[n-]4)c3)n2)CC1=O ZINC001590727102 1166983043 /nfs/dbraw/zinc/98/30/43/1166983043.db2.gz BCQTXGCHJVSKOY-ZETCQYMHSA-N -1 1 315.293 0.846 20 0 DCADMM CCN1C[C@@H](c2noc(-c3coc(-c4nn[n-]n4)c3)n2)CC1=O ZINC001590727102 1166983046 /nfs/dbraw/zinc/98/30/46/1166983046.db2.gz BCQTXGCHJVSKOY-ZETCQYMHSA-N -1 1 315.293 0.846 20 0 DCADMM CCNC(=O)C[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590740650 1166998529 /nfs/dbraw/zinc/99/85/29/1166998529.db2.gz JBCACUPXMXWQNS-VIFPVBQESA-N -1 1 318.337 0.262 20 0 DCADMM CCNC(=O)C[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590740650 1166998534 /nfs/dbraw/zinc/99/85/34/1166998534.db2.gz JBCACUPXMXWQNS-VIFPVBQESA-N -1 1 318.337 0.262 20 0 DCADMM CCOC(=O)CCC(=O)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590763825 1167011703 /nfs/dbraw/zinc/01/17/03/1167011703.db2.gz MMWBVUMUROLAQJ-UHFFFAOYSA-N -1 1 322.277 0.529 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590770936 1167014944 /nfs/dbraw/zinc/01/49/44/1167014944.db2.gz XEWXXWJHAKLIGC-RKDXNWHRSA-N -1 1 321.362 0.744 20 0 DCADMM CCOC(=O)c1cc(Cn2cc(-c3nn[n-]n3)ccc2=O)on1 ZINC001590771588 1167015090 /nfs/dbraw/zinc/01/50/90/1167015090.db2.gz BCCSHPGHBPBBIC-UHFFFAOYSA-N -1 1 316.277 0.241 20 0 DCADMM CCOCC1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590800935 1167023155 /nfs/dbraw/zinc/02/31/55/1167023155.db2.gz WMBSSBCECNGCNT-UHFFFAOYSA-N -1 1 302.338 0.695 20 0 DCADMM CCOCC1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590800935 1167023160 /nfs/dbraw/zinc/02/31/60/1167023160.db2.gz WMBSSBCECNGCNT-UHFFFAOYSA-N -1 1 302.338 0.695 20 0 DCADMM CCO[C@@H]1COCC[C@@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590797507 1167023789 /nfs/dbraw/zinc/02/37/89/1167023789.db2.gz SVTVOIPRGSEOOL-GXSJLCMTSA-N -1 1 305.342 0.571 20 0 DCADMM CCO[C@@H]1COCC[C@@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590797507 1167023796 /nfs/dbraw/zinc/02/37/96/1167023796.db2.gz SVTVOIPRGSEOOL-GXSJLCMTSA-N -1 1 305.342 0.571 20 0 DCADMM CCOCCOC1CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001590816090 1167029569 /nfs/dbraw/zinc/02/95/69/1167029569.db2.gz ZFJVWFRURSZHKO-UHFFFAOYSA-N -1 1 319.369 0.679 20 0 DCADMM CCOc1ncccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590845696 1167035374 /nfs/dbraw/zinc/03/53/74/1167035374.db2.gz UJFLPMKIVLWUEZ-UHFFFAOYSA-N -1 1 300.282 0.128 20 0 DCADMM CCS(=O)(=O)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001590846795 1167035797 /nfs/dbraw/zinc/03/57/97/1167035797.db2.gz PYSFHXCVEXDTPN-UHFFFAOYSA-N -1 1 316.412 0.868 20 0 DCADMM CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590867693 1167040104 /nfs/dbraw/zinc/04/01/04/1167040104.db2.gz OAYGEYWKHAIPQV-RCOVLWMOSA-N -1 1 306.330 0.079 20 0 DCADMM CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590867693 1167040108 /nfs/dbraw/zinc/04/01/08/1167040108.db2.gz OAYGEYWKHAIPQV-RCOVLWMOSA-N -1 1 306.330 0.079 20 0 DCADMM CCc1cnc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)o1 ZINC001590900487 1167044076 /nfs/dbraw/zinc/04/40/76/1167044076.db2.gz UQHJXNPJBVJZLZ-UHFFFAOYSA-N -1 1 313.321 0.671 20 0 DCADMM CCc1cnc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)o1 ZINC001590900487 1167044080 /nfs/dbraw/zinc/04/40/80/1167044080.db2.gz UQHJXNPJBVJZLZ-UHFFFAOYSA-N -1 1 313.321 0.671 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C(N)=O)CC[C@@H]2C)n1 ZINC001590905143 1167045941 /nfs/dbraw/zinc/04/59/41/1167045941.db2.gz RNGNCBADURSKEJ-IUCAKERBSA-N -1 1 316.369 0.309 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C(N)=O)CC[C@@H]2C)n1 ZINC001590905143 1167045946 /nfs/dbraw/zinc/04/59/46/1167045946.db2.gz RNGNCBADURSKEJ-IUCAKERBSA-N -1 1 316.369 0.309 20 0 DCADMM CCc1nc(N[C@H](C)C(=O)NC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001590914905 1167048613 /nfs/dbraw/zinc/04/86/13/1167048613.db2.gz IVLHTRFXLFFPOS-MRVPVSSYSA-N -1 1 318.385 0.934 20 0 DCADMM CCc1nc(N[C@H](C)C(=O)NC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001590914905 1167048618 /nfs/dbraw/zinc/04/86/18/1167048618.db2.gz IVLHTRFXLFFPOS-MRVPVSSYSA-N -1 1 318.385 0.934 20 0 DCADMM CCc1nc(N[C@H](C)COCCOC)cc(-c2nnn[n-]2)n1 ZINC001590917514 1167050558 /nfs/dbraw/zinc/05/05/58/1167050558.db2.gz ZJVHPNSOXTXFFJ-SECBINFHSA-N -1 1 307.358 0.683 20 0 DCADMM CCc1nc(N[C@H](C)COCCOC)cc(-c2nn[n-]n2)n1 ZINC001590917514 1167050565 /nfs/dbraw/zinc/05/05/65/1167050565.db2.gz ZJVHPNSOXTXFFJ-SECBINFHSA-N -1 1 307.358 0.683 20 0 DCADMM CCc1nncn1CCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590922338 1167050995 /nfs/dbraw/zinc/05/09/95/1167050995.db2.gz LRDNRYZCOYIHBT-UHFFFAOYSA-N -1 1 314.357 0.485 20 0 DCADMM CCc1nncn1CCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590922338 1167050998 /nfs/dbraw/zinc/05/09/98/1167050998.db2.gz LRDNRYZCOYIHBT-UHFFFAOYSA-N -1 1 314.357 0.485 20 0 DCADMM 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/nfs/dbraw/zinc/23/01/71/1167230171.db2.gz XGXUKMFCZDVWMR-DTWKUNHWSA-N -1 1 324.366 0.060 20 0 DCADMM COC1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001591356561 1167231596 /nfs/dbraw/zinc/23/15/96/1167231596.db2.gz IVDJQEBFXNTJGY-UHFFFAOYSA-N -1 1 303.326 0.904 20 0 DCADMM COC1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001591356561 1167231603 /nfs/dbraw/zinc/23/16/03/1167231603.db2.gz IVDJQEBFXNTJGY-UHFFFAOYSA-N -1 1 303.326 0.904 20 0 DCADMM COCC(=O)NCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591368056 1167241541 /nfs/dbraw/zinc/24/15/41/1167241541.db2.gz CDZKTLPAGOJVQH-UHFFFAOYSA-N -1 1 317.762 0.151 20 0 DCADMM COC[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591377603 1167248944 /nfs/dbraw/zinc/24/89/44/1167248944.db2.gz KLAZTVBSDHHJGU-SNVBAGLBSA-N -1 1 304.354 0.910 20 0 DCADMM COC[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591377603 1167248947 /nfs/dbraw/zinc/24/89/47/1167248947.db2.gz KLAZTVBSDHHJGU-SNVBAGLBSA-N -1 1 304.354 0.910 20 0 DCADMM COC[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001591381130 1167252202 /nfs/dbraw/zinc/25/22/02/1167252202.db2.gz GDULHTOXOFQGLV-VHSXEESVSA-N -1 1 323.378 0.852 20 0 DCADMM COCC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001591388484 1167259455 /nfs/dbraw/zinc/25/94/55/1167259455.db2.gz BENACILOFOUVOB-UHFFFAOYSA-N -1 1 303.326 0.810 20 0 DCADMM COCC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001591388484 1167259463 /nfs/dbraw/zinc/25/94/63/1167259463.db2.gz BENACILOFOUVOB-UHFFFAOYSA-N -1 1 303.326 0.810 20 0 DCADMM COC[C@H]1CCN1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001591393863 1167261504 /nfs/dbraw/zinc/26/15/04/1167261504.db2.gz JOMWUSVYHBEZTN-LLVKDONJSA-N -1 1 316.365 0.195 20 0 DCADMM COC[C@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)CCO1 ZINC001591395742 1167263508 /nfs/dbraw/zinc/26/35/08/1167263508.db2.gz IVBJVHZTCLBZTE-SECBINFHSA-N -1 1 309.351 0.416 20 0 DCADMM COCCC(=O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001591395418 1167264208 /nfs/dbraw/zinc/26/42/08/1167264208.db2.gz VOWHQWWLEVHPKU-UHFFFAOYSA-N -1 1 303.322 0.123 20 0 DCADMM COC[C@@H]1CN(c2ccc(C)c(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC001591396303 1167267146 /nfs/dbraw/zinc/26/71/46/1167267146.db2.gz WRYNZELSTJCYJV-MNOVXSKESA-N -1 1 304.354 0.810 20 0 DCADMM COC[C@@H]1CN(c2ccc(C)c(-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC001591396303 1167267151 /nfs/dbraw/zinc/26/71/51/1167267151.db2.gz WRYNZELSTJCYJV-MNOVXSKESA-N -1 1 304.354 0.810 20 0 DCADMM COCn1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cn1 ZINC001591463895 1167296074 /nfs/dbraw/zinc/29/60/74/1167296074.db2.gz KWWIBLKTQRIWMF-UHFFFAOYSA-N -1 1 300.282 0.314 20 0 DCADMM COCn1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cn1 ZINC001591463895 1167296081 /nfs/dbraw/zinc/29/60/81/1167296081.db2.gz KWWIBLKTQRIWMF-UHFFFAOYSA-N -1 1 300.282 0.314 20 0 DCADMM CO[C@@H]1COC[C@@H]1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591472117 1167302303 /nfs/dbraw/zinc/30/23/03/1167302303.db2.gz RRBKNSNPEVFUCP-VHSXEESVSA-N -1 1 303.326 0.360 20 0 DCADMM CO[C@@H]1COC[C@@H]1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591472117 1167302312 /nfs/dbraw/zinc/30/23/12/1167302312.db2.gz RRBKNSNPEVFUCP-VHSXEESVSA-N -1 1 303.326 0.360 20 0 DCADMM CO[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@@H]1OC ZINC001591472905 1167303649 /nfs/dbraw/zinc/30/36/49/1167303649.db2.gz LJCQNMKRZSDLSZ-PHIMTYICSA-N -1 1 317.353 0.384 20 0 DCADMM CO[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@@H]1OC ZINC001591472905 1167303657 /nfs/dbraw/zinc/30/36/57/1167303657.db2.gz LJCQNMKRZSDLSZ-PHIMTYICSA-N -1 1 317.353 0.384 20 0 DCADMM COc1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1F ZINC001591632834 1167341357 /nfs/dbraw/zinc/34/13/57/1167341357.db2.gz BRVPLSNPNKNUAC-UHFFFAOYSA-N -1 1 303.257 0.990 20 0 DCADMM COc1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1F ZINC001591632834 1167341360 /nfs/dbraw/zinc/34/13/60/1167341360.db2.gz BRVPLSNPNKNUAC-UHFFFAOYSA-N -1 1 303.257 0.990 20 0 DCADMM CS[C@@H]1CC[C@@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001591693091 1167356194 /nfs/dbraw/zinc/35/61/94/1167356194.db2.gz ZNFXGOPZTJEBTF-RKDXNWHRSA-N -1 1 322.398 0.201 20 0 DCADMM CSC[C@@](C)(O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591694226 1167356302 /nfs/dbraw/zinc/35/63/02/1167356302.db2.gz PHTZOLUBJZHTAR-ZDUSSCGKSA-N -1 1 322.394 0.034 20 0 DCADMM CSC[C@@](C)(O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591694226 1167356306 /nfs/dbraw/zinc/35/63/06/1167356306.db2.gz PHTZOLUBJZHTAR-ZDUSSCGKSA-N -1 1 322.394 0.034 20 0 DCADMM CSC[C@H](C)C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001591694884 1167356963 /nfs/dbraw/zinc/35/69/63/1167356963.db2.gz YMMDAJWXFCMNGN-QMMMGPOBSA-N -1 1 322.398 0.184 20 0 DCADMM CSC[C@H](C)C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001591694884 1167356969 /nfs/dbraw/zinc/35/69/69/1167356969.db2.gz YMMDAJWXFCMNGN-QMMMGPOBSA-N -1 1 322.398 0.184 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001591730505 1167363668 /nfs/dbraw/zinc/36/36/68/1167363668.db2.gz UCAJLZZFSOXGML-MRVPVSSYSA-N -1 1 310.383 0.975 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001591730505 1167363672 /nfs/dbraw/zinc/36/36/72/1167363672.db2.gz UCAJLZZFSOXGML-MRVPVSSYSA-N -1 1 310.383 0.975 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@@H](C)C1=O ZINC001591741892 1167364162 /nfs/dbraw/zinc/36/41/62/1167364162.db2.gz LCXPUZRSOMGGOM-RKDXNWHRSA-N -1 1 300.322 0.559 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@@H](C)C1=O ZINC001591741892 1167364170 /nfs/dbraw/zinc/36/41/70/1167364170.db2.gz LCXPUZRSOMGGOM-RKDXNWHRSA-N -1 1 300.322 0.559 20 0 DCADMM C[C@@]12CCCN1C(=O)N(Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001591759834 1167368347 /nfs/dbraw/zinc/36/83/47/1167368347.db2.gz XAIYFPYYACWRNE-LBPRGKRZSA-N -1 1 319.350 0.640 20 0 DCADMM C[C@@]12CCCN1C(=O)N(Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001591759834 1167368350 /nfs/dbraw/zinc/36/83/50/1167368350.db2.gz XAIYFPYYACWRNE-LBPRGKRZSA-N -1 1 319.350 0.640 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1C[C@H]1C ZINC001591764108 1167368733 /nfs/dbraw/zinc/36/87/33/1167368733.db2.gz GITGZWQGCOMTST-IWSPIJDZSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1C[C@H]1C ZINC001591764108 1167368738 /nfs/dbraw/zinc/36/87/38/1167368738.db2.gz GITGZWQGCOMTST-IWSPIJDZSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H]1COCCN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001591774421 1167374858 /nfs/dbraw/zinc/37/48/58/1167374858.db2.gz IMQRLQBOPGPNEH-QMMMGPOBSA-N -1 1 308.367 0.859 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC001591779377 1167377556 /nfs/dbraw/zinc/37/75/56/1167377556.db2.gz IIWGVOXQZPAROO-UHFFFAOYSA-N -1 1 303.257 0.995 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C[C@@H]2CCC[C@H](C)C2)c(=O)n1C ZINC001591793891 1167381169 /nfs/dbraw/zinc/38/11/69/1167381169.db2.gz NJMNSFNCHWDTCB-GXSJLCMTSA-N -1 1 318.381 0.862 20 0 DCADMM Cc1cc(C)n2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c2n1 ZINC001591957338 1167425376 /nfs/dbraw/zinc/42/53/76/1167425376.db2.gz TVJMXSRMVOKTCZ-UHFFFAOYSA-N -1 1 323.320 0.598 20 0 DCADMM Cc1cc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001591998889 1167433242 /nfs/dbraw/zinc/43/32/42/1167433242.db2.gz JXMAPXWYHREFEW-XMPXNBJQSA-N -1 1 306.395 0.916 20 0 DCADMM Cc1cc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001591998889 1167433247 /nfs/dbraw/zinc/43/32/47/1167433247.db2.gz JXMAPXWYHREFEW-XMPXNBJQSA-N -1 1 306.395 0.916 20 0 DCADMM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n2ncnc2n1 ZINC001592031222 1167439534 /nfs/dbraw/zinc/43/95/34/1167439534.db2.gz IMXCJQKKRGNAFW-UHFFFAOYSA-N -1 1 322.292 0.260 20 0 DCADMM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n2ncnc2n1 ZINC001592031222 1167439538 /nfs/dbraw/zinc/43/95/38/1167439538.db2.gz IMXCJQKKRGNAFW-UHFFFAOYSA-N -1 1 322.292 0.260 20 0 DCADMM Cc1ccc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001592175321 1167468014 /nfs/dbraw/zinc/46/80/14/1167468014.db2.gz PEDRBSVVRJBSRT-UWVGGRQHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001592175321 1167468021 /nfs/dbraw/zinc/46/80/21/1167468021.db2.gz PEDRBSVVRJBSRT-UWVGGRQHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592177681 1167470115 /nfs/dbraw/zinc/47/01/15/1167470115.db2.gz FVPMVIMDFNFZNM-GHMZBOCLSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592177681 1167470118 /nfs/dbraw/zinc/47/01/18/1167470118.db2.gz FVPMVIMDFNFZNM-GHMZBOCLSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(N[C@H]2CCc3nnn(C)c3C2)c(-c2nnn[n-]2)n1 ZINC001592183409 1167470594 /nfs/dbraw/zinc/47/05/94/1167470594.db2.gz CYESBHSSGMJOQG-VIFPVBQESA-N -1 1 311.353 0.668 20 0 DCADMM Cc1ccc(N[C@H]2CCc3nnn(C)c3C2)c(-c2nn[n-]n2)n1 ZINC001592183409 1167470599 /nfs/dbraw/zinc/47/05/99/1167470599.db2.gz CYESBHSSGMJOQG-VIFPVBQESA-N -1 1 311.353 0.668 20 0 DCADMM Cc1ccc(NCCS(=O)(=O)CC2CC2)c(-c2nnn[n-]2)n1 ZINC001592186519 1167472780 /nfs/dbraw/zinc/47/27/80/1167472780.db2.gz YPQGTZZVWLFDJM-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(NCCS(=O)(=O)CC2CC2)c(-c2nn[n-]n2)n1 ZINC001592186519 1167472785 /nfs/dbraw/zinc/47/27/85/1167472785.db2.gz YPQGTZZVWLFDJM-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccccc1-c1nc(Cn2cc(-c3nn[n-]n3)nn2)no1 ZINC001592248713 1167478415 /nfs/dbraw/zinc/47/84/15/1167478415.db2.gz YPJZQWAIISMOEJ-UHFFFAOYSA-N -1 1 309.293 0.865 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1Cl ZINC001592328639 1167488839 /nfs/dbraw/zinc/48/88/39/1167488839.db2.gz WOGFKDKNCJQONU-RXMQYKEDSA-N -1 1 322.720 0.343 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cncnc2C2CC2)c1-c1nn[n-]n1 ZINC001592330501 1167491979 /nfs/dbraw/zinc/49/19/79/1167491979.db2.gz IBXXFZLWYIKHGB-UHFFFAOYSA-N -1 1 311.309 0.818 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](CC(N)=O)C2)n1 ZINC001592341403 1167495418 /nfs/dbraw/zinc/49/54/18/1167495418.db2.gz SPHHCZSXDSIYDD-VIFPVBQESA-N -1 1 302.342 0.057 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](CC(N)=O)C2)n1 ZINC001592341403 1167495419 /nfs/dbraw/zinc/49/54/19/1167495419.db2.gz SPHHCZSXDSIYDD-VIFPVBQESA-N -1 1 302.342 0.057 20 0 DCADMM Cc1nc(N[C@@H](C(N)=O)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001592376540 1167507953 /nfs/dbraw/zinc/50/79/53/1167507953.db2.gz DXPOQKIVHLWQAI-GFCCVEGCSA-N -1 1 310.321 0.604 20 0 DCADMM Cc1nc(N[C@@H](C(N)=O)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001592376540 1167507957 /nfs/dbraw/zinc/50/79/57/1167507957.db2.gz DXPOQKIVHLWQAI-GFCCVEGCSA-N -1 1 310.321 0.604 20 0 DCADMM Cc1nc(NCC(=O)NC2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001592384305 1167508822 /nfs/dbraw/zinc/50/88/22/1167508822.db2.gz QUMJNGHRAAUFER-UHFFFAOYSA-N -1 1 316.369 0.826 20 0 DCADMM Cc1nc(NCC(=O)NC2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001592384305 1167508824 /nfs/dbraw/zinc/50/88/24/1167508824.db2.gz QUMJNGHRAAUFER-UHFFFAOYSA-N -1 1 316.369 0.826 20 0 DCADMM Cc1nc(N[C@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592381342 1167510153 /nfs/dbraw/zinc/51/01/53/1167510153.db2.gz YFXFSHASWHDNAR-QMMMGPOBSA-N -1 1 300.326 0.140 20 0 DCADMM Cc1nc(N[C@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592381342 1167510155 /nfs/dbraw/zinc/51/01/55/1167510155.db2.gz YFXFSHASWHDNAR-QMMMGPOBSA-N -1 1 300.326 0.140 20 0 DCADMM Cc1nc(NCCCc2ncn(C)n2)cc(-c2nnn[n-]2)n1 ZINC001592390736 1167512351 /nfs/dbraw/zinc/51/23/51/1167512351.db2.gz UNNJZVHUSPDNDU-UHFFFAOYSA-N -1 1 300.330 0.138 20 0 DCADMM Cc1nc(NCCCc2ncn(C)n2)cc(-c2nn[n-]n2)n1 ZINC001592390736 1167512357 /nfs/dbraw/zinc/51/23/57/1167512357.db2.gz UNNJZVHUSPDNDU-UHFFFAOYSA-N -1 1 300.330 0.138 20 0 DCADMM Cc1nc(SC[C@@H]2CN(C)CCO2)cc(-c2nn[n-]n2)n1 ZINC001592398886 1167513080 /nfs/dbraw/zinc/51/30/80/1167513080.db2.gz GOZXIXQFZUPBCY-VIFPVBQESA-N -1 1 307.383 0.388 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnn3ncccc23)c1-c1nnn[n-]1 ZINC001592433133 1167519385 /nfs/dbraw/zinc/51/93/85/1167519385.db2.gz RBSDTECTJGIVGT-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnn3ncccc23)c1-c1nn[n-]n1 ZINC001592433133 1167519386 /nfs/dbraw/zinc/51/93/86/1167519386.db2.gz RBSDTECTJGIVGT-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1nn(C)c(NC(=O)COC(F)(F)F)c1-c1nnn[n-]1 ZINC001592433977 1167520871 /nfs/dbraw/zinc/52/08/71/1167520871.db2.gz KSXCQPNKFJOHOA-UHFFFAOYSA-N -1 1 305.220 0.384 20 0 DCADMM Cc1nn(C)c(NC(=O)COC(F)(F)F)c1-c1nn[n-]n1 ZINC001592433977 1167520882 /nfs/dbraw/zinc/52/08/82/1167520882.db2.gz KSXCQPNKFJOHOA-UHFFFAOYSA-N -1 1 305.220 0.384 20 0 DCADMM Cc1nonc1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592467138 1167531674 /nfs/dbraw/zinc/53/16/74/1167531674.db2.gz VGWCWZIIBNQKJE-UHFFFAOYSA-N -1 1 301.266 0.445 20 0 DCADMM Cc1nsc(N2C[C@@H](CO)[C@H](CCO)C2)c1-c1nn[n-]n1 ZINC001592471847 1167532166 /nfs/dbraw/zinc/53/21/66/1167532166.db2.gz IGFGRUCYNRDSHZ-BDAKNGLRSA-N -1 1 310.383 0.059 20 0 DCADMM Cc1nsc(N(C)C(=O)[C@]2(F)CCOC2)c1-c1nnn[n-]1 ZINC001592468616 1167533037 /nfs/dbraw/zinc/53/30/37/1167533037.db2.gz OBXUYSPVQOJJKL-NSHDSACASA-N -1 1 312.330 0.723 20 0 DCADMM Cc1nsc(N(C)C(=O)[C@]2(F)CCOC2)c1-c1nn[n-]n1 ZINC001592468616 1167533041 /nfs/dbraw/zinc/53/30/41/1167533041.db2.gz OBXUYSPVQOJJKL-NSHDSACASA-N -1 1 312.330 0.723 20 0 DCADMM Cc1nsc(N2CCO[C@@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC001592476534 1167534773 /nfs/dbraw/zinc/53/47/73/1167534773.db2.gz RPITXXPULJTVME-LBPRGKRZSA-N -1 1 308.367 0.627 20 0 DCADMM Cc1nsc(N[C@@H]2CC(=O)N(C3CC3)C2)c1-c1nn[n-]n1 ZINC001592483638 1167537137 /nfs/dbraw/zinc/53/71/37/1167537137.db2.gz ZEXWHAUOLLBRLH-SSDOTTSWSA-N -1 1 305.367 0.807 20 0 DCADMM Cc1nsc(NC[C@H](O)C2CCOCC2)c1-c1nn[n-]n1 ZINC001592487981 1167537184 /nfs/dbraw/zinc/53/71/84/1167537184.db2.gz JMGQEKHYBMUSEW-VIFPVBQESA-N -1 1 310.383 0.831 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCOC[C@]12CCOC2 ZINC001592500354 1167542219 /nfs/dbraw/zinc/54/22/19/1167542219.db2.gz WHHCVTUGMOEZCK-CQSZACIVSA-N -1 1 319.321 0.400 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCOC[C@]12CCOC2 ZINC001592500354 1167542223 /nfs/dbraw/zinc/54/22/23/1167542223.db2.gz WHHCVTUGMOEZCK-CQSZACIVSA-N -1 1 319.321 0.400 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001592503085 1167542663 /nfs/dbraw/zinc/54/26/63/1167542663.db2.gz RCGBGPUMLJTRIZ-LNLATYFQSA-N -1 1 319.321 0.302 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001592503085 1167542671 /nfs/dbraw/zinc/54/26/71/1167542671.db2.gz RCGBGPUMLJTRIZ-LNLATYFQSA-N -1 1 319.321 0.302 20 0 DCADMM Cc1oc(C2CC2)nc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592508721 1167545267 /nfs/dbraw/zinc/54/52/67/1167545267.db2.gz IDBFWZVKVOOSQK-UHFFFAOYSA-N -1 1 300.282 0.508 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1-c1nnn[n-]1 ZINC001592516289 1167546809 /nfs/dbraw/zinc/54/68/09/1167546809.db2.gz FYBSJCWLPRBGLW-SFKDOBOXSA-N -1 1 302.338 0.866 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1-c1nn[n-]n1 ZINC001592516289 1167546813 /nfs/dbraw/zinc/54/68/13/1167546813.db2.gz FYBSJCWLPRBGLW-SFKDOBOXSA-N -1 1 302.338 0.866 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CCn3cncc32)c1-c1nn[n-]n1 ZINC001592517834 1167547801 /nfs/dbraw/zinc/54/78/01/1167547801.db2.gz TUPMGPDREOYJDO-QMMMGPOBSA-N -1 1 314.309 0.163 20 0 DCADMM Clc1nc(N2CCn3cnnc3C2)sc1-c1nnn[n-]1 ZINC001592541084 1167549185 /nfs/dbraw/zinc/54/91/85/1167549185.db2.gz SXCAOJFOWRDUJQ-UHFFFAOYSA-N -1 1 309.746 0.588 20 0 DCADMM Clc1nc(N2CCn3cnnc3C2)sc1-c1nn[n-]n1 ZINC001592541084 1167549190 /nfs/dbraw/zinc/54/91/90/1167549190.db2.gz SXCAOJFOWRDUJQ-UHFFFAOYSA-N -1 1 309.746 0.588 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@@H]2CCCCS2)c(-c2nn[n-]n2)c1=O ZINC001592545506 1167549804 /nfs/dbraw/zinc/54/98/04/1167549804.db2.gz BMNNVOZODFCGNJ-ZETCQYMHSA-N -1 1 323.382 0.364 20 0 DCADMM Clc1cnn([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001592537807 1167550044 /nfs/dbraw/zinc/55/00/44/1167550044.db2.gz FDLYFGWXQNBOLX-SECBINFHSA-N -1 1 317.744 0.958 20 0 DCADMM Clc1cnn([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001592537807 1167550054 /nfs/dbraw/zinc/55/00/54/1167550054.db2.gz FDLYFGWXQNBOLX-SECBINFHSA-N -1 1 317.744 0.958 20 0 DCADMM Cn1c(=O)cc(NCc2ccc(-c3nn[n-]n3)s2)[nH]c1=O ZINC001592547197 1167554179 /nfs/dbraw/zinc/55/41/79/1167554179.db2.gz LNUOLFUUTHXMBM-UHFFFAOYSA-N -1 1 305.323 0.340 20 0 DCADMM Cn1c(Sc2ccnc(-c3nn[n-]n3)n2)nnc1C(F)F ZINC001592557317 1167559128 /nfs/dbraw/zinc/55/91/28/1167559128.db2.gz YOEWIVDHSATFCW-UHFFFAOYSA-N -1 1 311.281 0.874 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC[C@H]2CCSC2)n1 ZINC001592559704 1167560905 /nfs/dbraw/zinc/56/09/05/1167560905.db2.gz HINBTRNYFRXZEE-QMMMGPOBSA-N -1 1 322.398 0.865 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC[C@H]2CCSC2)n1 ZINC001592559704 1167560907 /nfs/dbraw/zinc/56/09/07/1167560907.db2.gz HINBTRNYFRXZEE-QMMMGPOBSA-N -1 1 322.398 0.865 20 0 DCADMM Cn1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)n1 ZINC001592580920 1167570398 /nfs/dbraw/zinc/57/03/98/1167570398.db2.gz SQPYMLDIAOCSGT-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592591429 1167575447 /nfs/dbraw/zinc/57/54/47/1167575447.db2.gz RQSZXKIXUTXJNX-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592591429 1167575450 /nfs/dbraw/zinc/57/54/50/1167575450.db2.gz RQSZXKIXUTXJNX-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1ncc(C2CC2)c1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592600265 1167579546 /nfs/dbraw/zinc/57/95/46/1167579546.db2.gz RRHSFRFWFOQRFJ-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1ncc(C2CC2)c1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592600265 1167579553 /nfs/dbraw/zinc/57/95/53/1167579553.db2.gz RRHSFRFWFOQRFJ-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1nncc1Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001592611978 1167584750 /nfs/dbraw/zinc/58/47/50/1167584750.db2.gz ZMWLNMFREGOVMW-UHFFFAOYSA-N -1 1 308.305 0.358 20 0 DCADMM FC(F)(F)CN1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001592614112 1167587709 /nfs/dbraw/zinc/58/77/09/1167587709.db2.gz CSXLVWQJZXBXIO-UHFFFAOYSA-N -1 1 313.287 0.946 20 0 DCADMM FC(F)(F)CN1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001592614112 1167587712 /nfs/dbraw/zinc/58/77/12/1167587712.db2.gz CSXLVWQJZXBXIO-UHFFFAOYSA-N -1 1 313.287 0.946 20 0 DCADMM NC(=O)CC1(CNc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001592724558 1167613983 /nfs/dbraw/zinc/61/39/83/1167613983.db2.gz NZGAYBMHYKPJEO-UHFFFAOYSA-N -1 1 316.369 0.895 20 0 DCADMM NC(=O)CC1(CNc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001592724558 1167613987 /nfs/dbraw/zinc/61/39/87/1167613987.db2.gz NZGAYBMHYKPJEO-UHFFFAOYSA-N -1 1 316.369 0.895 20 0 DCADMM NC(=O)N1CC[C@H](CNC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001592728715 1167617563 /nfs/dbraw/zinc/61/75/63/1167617563.db2.gz BXNSTQYAXPMQDY-SSDOTTSWSA-N -1 1 321.366 0.059 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ncsc1C1CC1 ZINC001592753197 1167630986 /nfs/dbraw/zinc/63/09/86/1167630986.db2.gz RRMFFXWCCFSUSF-UHFFFAOYSA-N -1 1 302.323 0.668 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(Cl)ncc1F ZINC001592753383 1167631185 /nfs/dbraw/zinc/63/11/85/1167631185.db2.gz XFKRPOVPOUXAQY-UHFFFAOYSA-N -1 1 308.664 0.521 20 0 DCADMM O=C([C@H]1C[C@@H]1F)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592775098 1167642841 /nfs/dbraw/zinc/64/28/41/1167642841.db2.gz VJARAPWHNAQDGC-IUCAKERBSA-N -1 1 322.369 0.935 20 0 DCADMM O=C(CNc1cccnc1-c1nnn[n-]1)NCC(F)(F)F ZINC001592878327 1167656464 /nfs/dbraw/zinc/65/64/64/1167656464.db2.gz BTDUQCZPZRPSDG-UHFFFAOYSA-N -1 1 301.232 0.352 20 0 DCADMM O=C(CNc1cccnc1-c1nn[n-]n1)NCC(F)(F)F ZINC001592878327 1167656466 /nfs/dbraw/zinc/65/64/66/1167656466.db2.gz BTDUQCZPZRPSDG-UHFFFAOYSA-N -1 1 301.232 0.352 20 0 DCADMM O=C(COCc1ccncc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592886883 1167657445 /nfs/dbraw/zinc/65/74/45/1167657445.db2.gz LLAGJPFZJRLCRN-UHFFFAOYSA-N -1 1 311.305 0.812 20 0 DCADMM O=C(COCc1ccncc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592886883 1167657448 /nfs/dbraw/zinc/65/74/48/1167657448.db2.gz LLAGJPFZJRLCRN-UHFFFAOYSA-N -1 1 311.305 0.812 20 0 DCADMM O=C(COC1CCOCC1)Nc1ncc(-c2nnn[n-]2)s1 ZINC001592886347 1167658027 /nfs/dbraw/zinc/65/80/27/1167658027.db2.gz GIGAPCYURDPEPD-UHFFFAOYSA-N -1 1 310.339 0.457 20 0 DCADMM O=C(COC1CCOCC1)Nc1ncc(-c2nn[n-]n2)s1 ZINC001592886347 1167658032 /nfs/dbraw/zinc/65/80/32/1167658032.db2.gz GIGAPCYURDPEPD-UHFFFAOYSA-N -1 1 310.339 0.457 20 0 DCADMM O=C(COc1ccccc1)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001592895706 1167659130 /nfs/dbraw/zinc/65/91/30/1167659130.db2.gz WNYGHFKDNOBEQM-UHFFFAOYSA-N -1 1 311.301 0.677 20 0 DCADMM O=C(COc1ccc(F)cc1)Cn1ccnc1-c1nnn[n-]1 ZINC001592890192 1167659629 /nfs/dbraw/zinc/65/96/29/1167659629.db2.gz UTJRYLWDVOBGFB-UHFFFAOYSA-N -1 1 302.269 0.850 20 0 DCADMM O=C(COc1ccc(F)cc1)Cn1ccnc1-c1nn[n-]n1 ZINC001592890192 1167659632 /nfs/dbraw/zinc/65/96/32/1167659632.db2.gz UTJRYLWDVOBGFB-UHFFFAOYSA-N -1 1 302.269 0.850 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@H]1CCCC1=O ZINC001592914198 1167663104 /nfs/dbraw/zinc/66/31/04/1167663104.db2.gz RAGWLLVIPPQWGS-SNVBAGLBSA-N -1 1 300.322 0.290 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@H]1CCCC1=O ZINC001592914198 1167663109 /nfs/dbraw/zinc/66/31/09/1167663109.db2.gz RAGWLLVIPPQWGS-SNVBAGLBSA-N -1 1 300.322 0.290 20 0 DCADMM O=C(Cc1ccoc1)NCCNc1nccnc1-c1nnn[n-]1 ZINC001592928066 1167668276 /nfs/dbraw/zinc/66/82/76/1167668276.db2.gz LDVBTULXNMULQK-UHFFFAOYSA-N -1 1 314.309 0.021 20 0 DCADMM O=C(Cc1ccoc1)NCCNc1nccnc1-c1nn[n-]n1 ZINC001592928066 1167668279 /nfs/dbraw/zinc/66/82/79/1167668279.db2.gz LDVBTULXNMULQK-UHFFFAOYSA-N -1 1 314.309 0.021 20 0 DCADMM O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001592953827 1167672460 /nfs/dbraw/zinc/67/24/60/1167672460.db2.gz PFKQIFILACINOZ-BDAKNGLRSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001592953827 1167672464 /nfs/dbraw/zinc/67/24/64/1167672464.db2.gz PFKQIFILACINOZ-BDAKNGLRSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@@H](CO)CC(F)(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001592954189 1167674280 /nfs/dbraw/zinc/67/42/80/1167674280.db2.gz XHVUTHWXGSKLHX-RXMQYKEDSA-N -1 1 305.216 0.503 20 0 DCADMM O=C(N[C@@H](CO)CC(F)(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001592954189 1167674285 /nfs/dbraw/zinc/67/42/85/1167674285.db2.gz XHVUTHWXGSKLHX-RXMQYKEDSA-N -1 1 305.216 0.503 20 0 DCADMM O=C(NC1(C(F)F)OCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC001592957002 1167674887 /nfs/dbraw/zinc/67/48/87/1167674887.db2.gz SUABCTWSIIADCM-UHFFFAOYSA-N -1 1 317.277 0.624 20 0 DCADMM O=C(NC1(C(F)F)OCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC001592957002 1167674890 /nfs/dbraw/zinc/67/48/90/1167674890.db2.gz SUABCTWSIIADCM-UHFFFAOYSA-N -1 1 317.277 0.624 20 0 DCADMM O=C(NC1CC(N2CCOCC2)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001592966244 1167676373 /nfs/dbraw/zinc/67/63/73/1167676373.db2.gz XNHJQOXQESVRHN-UHFFFAOYSA-N -1 1 318.337 0.053 20 0 DCADMM O=C(NC1CC(N2CCOCC2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001592966244 1167676375 /nfs/dbraw/zinc/67/63/75/1167676375.db2.gz XNHJQOXQESVRHN-UHFFFAOYSA-N -1 1 318.337 0.053 20 0 DCADMM O=C(NC[C@@H](O)c1cccnc1)c1coc(-c2nnn[n-]2)c1 ZINC001593013957 1167688627 /nfs/dbraw/zinc/68/86/27/1167688627.db2.gz QEUVAVFHGYLWAB-SNVBAGLBSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@@H](O)c1cccnc1)c1coc(-c2nn[n-]n2)c1 ZINC001593013957 1167688633 /nfs/dbraw/zinc/68/86/33/1167688633.db2.gz QEUVAVFHGYLWAB-SNVBAGLBSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NCC1(CCO)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593015494 1167689433 /nfs/dbraw/zinc/68/94/33/1167689433.db2.gz BXRHSGDFXBWHCF-UHFFFAOYSA-N -1 1 305.313 0.898 20 0 DCADMM O=C(NCC1(CCO)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593015494 1167689437 /nfs/dbraw/zinc/68/94/37/1167689437.db2.gz BXRHSGDFXBWHCF-UHFFFAOYSA-N -1 1 305.313 0.898 20 0 DCADMM O=C(NCCNc1cnc(-c2nnn[n-]2)cn1)[C@H]1CC12CCC2 ZINC001593090487 1167703189 /nfs/dbraw/zinc/70/31/89/1167703189.db2.gz JASBTVMWBHGRPX-SECBINFHSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCNc1cnc(-c2nn[n-]n2)cn1)[C@H]1CC12CCC2 ZINC001593090487 1167703195 /nfs/dbraw/zinc/70/31/95/1167703195.db2.gz JASBTVMWBHGRPX-SECBINFHSA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCOC(=O)C1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593094370 1167704697 /nfs/dbraw/zinc/70/46/97/1167704697.db2.gz NOSVSUKONJCIDQ-UHFFFAOYSA-N -1 1 317.309 0.336 20 0 DCADMM O=C(NCCOC(=O)C1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593094370 1167704703 /nfs/dbraw/zinc/70/47/03/1167704703.db2.gz NOSVSUKONJCIDQ-UHFFFAOYSA-N -1 1 317.309 0.336 20 0 DCADMM O=C(NCCc1cc[nH]n1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593103398 1167709185 /nfs/dbraw/zinc/70/91/85/1167709185.db2.gz GRBKWZYBVYMHGE-UHFFFAOYSA-N -1 1 319.275 0.841 20 0 DCADMM O=C(NCCc1cc[nH]n1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593103398 1167709188 /nfs/dbraw/zinc/70/91/88/1167709188.db2.gz GRBKWZYBVYMHGE-UHFFFAOYSA-N -1 1 319.275 0.841 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NCC1CCCCC1 ZINC001593112895 1167710774 /nfs/dbraw/zinc/71/07/74/1167710774.db2.gz ZWSDEDLOMHEHAS-UHFFFAOYSA-N -1 1 319.373 0.338 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H](O)C1CC1 ZINC001593137737 1167720741 /nfs/dbraw/zinc/72/07/41/1167720741.db2.gz RVOAHIJFIMRWJK-VIFPVBQESA-N -1 1 308.367 0.498 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H]1C[C@@]12CCOC2 ZINC001593149625 1167726469 /nfs/dbraw/zinc/72/64/69/1167726469.db2.gz QWEWZISNACDGOP-JMCQJSRRSA-N -1 1 306.351 0.366 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H]1C[C@@]12CCOC2 ZINC001593149625 1167726476 /nfs/dbraw/zinc/72/64/76/1167726476.db2.gz QWEWZISNACDGOP-JMCQJSRRSA-N -1 1 306.351 0.366 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H]1CCCOCC1 ZINC001593150216 1167726836 /nfs/dbraw/zinc/72/68/36/1167726836.db2.gz UXWKCMKEFWPLBN-QMMMGPOBSA-N -1 1 308.367 0.756 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H]1CCCOCC1 ZINC001593150216 1167726844 /nfs/dbraw/zinc/72/68/44/1167726844.db2.gz UXWKCMKEFWPLBN-QMMMGPOBSA-N -1 1 308.367 0.756 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC001593196337 1167735577 /nfs/dbraw/zinc/73/55/77/1167735577.db2.gz MUXCSQVDIZKWNC-QMMMGPOBSA-N -1 1 303.326 0.832 20 0 DCADMM O=C(Nc1ccc2nncn2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593239513 1167741574 /nfs/dbraw/zinc/74/15/74/1167741574.db2.gz XFDMCFOHSMMCKC-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1ccc2nncn2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593239513 1167741577 /nfs/dbraw/zinc/74/15/77/1167741577.db2.gz XFDMCFOHSMMCKC-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N(C1CC1)C1CC1 ZINC001593241840 1167743446 /nfs/dbraw/zinc/74/34/46/1167743446.db2.gz BWJULYNCRPVYCA-UHFFFAOYSA-N -1 1 313.321 0.354 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N(C1CC1)C1CC1 ZINC001593241840 1167743453 /nfs/dbraw/zinc/74/34/53/1167743453.db2.gz BWJULYNCRPVYCA-UHFFFAOYSA-N -1 1 313.321 0.354 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1C[C@H](O)C12CCC2 ZINC001593244092 1167743558 /nfs/dbraw/zinc/74/35/58/1167743558.db2.gz KWLPGXGQRLTLSZ-UWVGGRQHSA-N -1 1 315.337 0.687 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1C[C@H](O)C12CCC2 ZINC001593244092 1167743566 /nfs/dbraw/zinc/74/35/66/1167743566.db2.gz KWLPGXGQRLTLSZ-UWVGGRQHSA-N -1 1 315.337 0.687 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001593261106 1167747847 /nfs/dbraw/zinc/74/78/47/1167747847.db2.gz RIIQNPMJOZVAJY-DTWKUNHWSA-N -1 1 303.326 0.591 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC2(COC2)C1 ZINC001593256408 1167748008 /nfs/dbraw/zinc/74/80/08/1167748008.db2.gz SMCZNTIELKLPPB-UHFFFAOYSA-N -1 1 301.310 0.516 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC2(COC2)C1 ZINC001593256408 1167748016 /nfs/dbraw/zinc/74/80/16/1167748016.db2.gz SMCZNTIELKLPPB-UHFFFAOYSA-N -1 1 301.310 0.516 20 0 DCADMM O=C(OC[C@H]1CCCNC1=O)c1csc(-c2nnn[n-]2)c1 ZINC001593284875 1167756944 /nfs/dbraw/zinc/75/69/44/1167756944.db2.gz UZHJWQXXEUKWFS-SSDOTTSWSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OC[C@H]1CCCNC1=O)c1csc(-c2nn[n-]n2)c1 ZINC001593284875 1167756949 /nfs/dbraw/zinc/75/69/49/1167756949.db2.gz UZHJWQXXEUKWFS-SSDOTTSWSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nnn[n-]2)n1)c1nccs1 ZINC001593283994 1167758867 /nfs/dbraw/zinc/75/88/67/1167758867.db2.gz WZDMBUJJMQSHCY-UHFFFAOYSA-N -1 1 316.302 0.758 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nn[n-]n2)n1)c1nccs1 ZINC001593283994 1167758875 /nfs/dbraw/zinc/75/88/75/1167758875.db2.gz WZDMBUJJMQSHCY-UHFFFAOYSA-N -1 1 316.302 0.758 20 0 DCADMM O=C(O[C@@H]1CSc2nccn2C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593281346 1167759427 /nfs/dbraw/zinc/75/94/27/1167759427.db2.gz VHKQFEAGCIDGSC-ZETCQYMHSA-N -1 1 318.318 0.988 20 0 DCADMM O=C(OCCOC[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC001593290833 1167763366 /nfs/dbraw/zinc/76/33/66/1167763366.db2.gz UHVVNNNUUMWWAT-JTQLQIEISA-N -1 1 319.321 0.614 20 0 DCADMM O=C(OCCOC[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)n1 ZINC001593290833 1167763372 /nfs/dbraw/zinc/76/33/72/1167763372.db2.gz UHVVNNNUUMWWAT-JTQLQIEISA-N -1 1 319.321 0.614 20 0 DCADMM O=C(OCc1cnn(CCF)c1)c1coc(-c2nnn[n-]2)c1 ZINC001593303530 1167766794 /nfs/dbraw/zinc/76/67/94/1167766794.db2.gz OIJQJFHCQXPTKS-UHFFFAOYSA-N -1 1 306.257 0.983 20 0 DCADMM O=C(OCc1cnn(CCF)c1)c1coc(-c2nn[n-]n2)c1 ZINC001593303530 1167766802 /nfs/dbraw/zinc/76/68/02/1167766802.db2.gz OIJQJFHCQXPTKS-UHFFFAOYSA-N -1 1 306.257 0.983 20 0 DCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@]12CCOC2 ZINC001593301792 1167766916 /nfs/dbraw/zinc/76/69/16/1167766916.db2.gz FKGNXLGBDBDOBH-YGRLFVJLSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@]12CCOC2 ZINC001593301792 1167766923 /nfs/dbraw/zinc/76/69/23/1167766923.db2.gz FKGNXLGBDBDOBH-YGRLFVJLSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1c1cc[nH]n1 ZINC001593349150 1167784325 /nfs/dbraw/zinc/78/43/25/1167784325.db2.gz ZPJRAOXQXFTZFM-GFCCVEGCSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1cc[nH]n1 ZINC001593349150 1167784334 /nfs/dbraw/zinc/78/43/34/1167784334.db2.gz ZPJRAOXQXFTZFM-GFCCVEGCSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC(OCC(F)F)C1 ZINC001593348237 1167784447 /nfs/dbraw/zinc/78/44/47/1167784447.db2.gz QNKSFSZHVBOFFS-UHFFFAOYSA-N -1 1 310.264 0.368 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC(OCC(F)F)C1 ZINC001593348237 1167784453 /nfs/dbraw/zinc/78/44/53/1167784453.db2.gz QNKSFSZHVBOFFS-UHFFFAOYSA-N -1 1 310.264 0.368 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCOCC2(CCC2)C1 ZINC001593348546 1167785052 /nfs/dbraw/zinc/78/50/52/1167785052.db2.gz DQIFKBJBKQXEBF-UHFFFAOYSA-N -1 1 314.349 0.904 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCOCC2(CCC2)C1 ZINC001593348546 1167785061 /nfs/dbraw/zinc/78/50/61/1167785061.db2.gz DQIFKBJBKQXEBF-UHFFFAOYSA-N -1 1 314.349 0.904 20 0 DCADMM O=C1[C@@H](Nc2ncncc2-c2nn[n-]n2)CN1c1ccccc1 ZINC001593379006 1167794935 /nfs/dbraw/zinc/79/49/35/1167794935.db2.gz VJEGZVCFKNFZHE-NSHDSACASA-N -1 1 308.305 0.484 20 0 DCADMM O=C1C[C@@H](Nc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CN1 ZINC001593386707 1167798809 /nfs/dbraw/zinc/79/88/09/1167798809.db2.gz SZENHQVOKPQSIQ-ZCFIWIBFSA-N -1 1 313.243 0.581 20 0 DCADMM O=C1C[C@@H](Nc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CN1 ZINC001593386707 1167798817 /nfs/dbraw/zinc/79/88/17/1167798817.db2.gz SZENHQVOKPQSIQ-ZCFIWIBFSA-N -1 1 313.243 0.581 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC(=O)N2CCC[C@H]21 ZINC001593394996 1167806716 /nfs/dbraw/zinc/80/67/16/1167806716.db2.gz JPQKITCSFWIBCJ-LLVKDONJSA-N -1 1 313.321 0.056 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC(=O)N2CCC[C@H]21 ZINC001593394996 1167806723 /nfs/dbraw/zinc/80/67/23/1167806723.db2.gz JPQKITCSFWIBCJ-LLVKDONJSA-N -1 1 313.321 0.056 20 0 DCADMM O=C1CN(Cc2csc(-c3nn[n-]n3)c2)CCN1C1CC1 ZINC001593398658 1167809916 /nfs/dbraw/zinc/80/99/16/1167809916.db2.gz CVSAGPYJFREEOQ-UHFFFAOYSA-N -1 1 304.379 0.735 20 0 DCADMM O=C(OC[C@H]1CCCC(=O)N1)c1ccc(-c2nnn[n-]2)s1 ZINC001593395750 1167810791 /nfs/dbraw/zinc/81/07/91/1167810791.db2.gz ZZDFTKMIVLBLAN-SSDOTTSWSA-N -1 1 307.335 0.754 20 0 DCADMM O=C(OC[C@H]1CCCC(=O)N1)c1ccc(-c2nn[n-]n2)s1 ZINC001593395750 1167810798 /nfs/dbraw/zinc/81/07/98/1167810798.db2.gz ZZDFTKMIVLBLAN-SSDOTTSWSA-N -1 1 307.335 0.754 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCCC(=O)N1 ZINC001593395713 1167812952 /nfs/dbraw/zinc/81/29/52/1167812952.db2.gz XHSYGSSDTLISGX-MRVPVSSYSA-N -1 1 306.351 0.213 20 0 DCADMM O=S(=O)(CCCn1cc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001593418975 1167832708 /nfs/dbraw/zinc/83/27/08/1167832708.db2.gz XQGLAGQIAXZAGX-UHFFFAOYSA-N -1 1 319.350 0.322 20 0 DCADMM O=S(=O)(N[C@H]1CCCC12CC2)c1cccnc1-c1nn[n-]n1 ZINC001593433553 1167836947 /nfs/dbraw/zinc/83/69/47/1167836947.db2.gz AICJPFKCROAHDT-JTQLQIEISA-N -1 1 320.378 0.873 20 0 DCADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)c1cccc(O)c1 ZINC001593428928 1167839106 /nfs/dbraw/zinc/83/91/06/1167839106.db2.gz RHPWALJKYHYNCY-UHFFFAOYSA-N -1 1 317.330 0.941 20 0 DCADMM O=S(=O)(NCc1ccc(-c2nn[n-]n2)s1)c1ccoc1 ZINC001593441850 1167842036 /nfs/dbraw/zinc/84/20/36/1167842036.db2.gz VYRUCJLWDULPFL-UHFFFAOYSA-N -1 1 311.348 1.000 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H](F)C1 ZINC001593454121 1167843773 /nfs/dbraw/zinc/84/37/73/1167843773.db2.gz BMUUVQBJGQUOAA-LURJTMIESA-N -1 1 303.344 0.661 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H](F)C1 ZINC001593454121 1167843793 /nfs/dbraw/zinc/84/37/93/1167843793.db2.gz BMUUVQBJGQUOAA-LURJTMIESA-N -1 1 303.344 0.661 20 0 DCADMM O=S1(=O)CCCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001593464130 1167855577 /nfs/dbraw/zinc/85/55/77/1167855577.db2.gz YLECLXVETGOOOD-SNVBAGLBSA-N -1 1 308.367 0.063 20 0 DCADMM O=S1(=O)CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001593464130 1167855600 /nfs/dbraw/zinc/85/56/00/1167855600.db2.gz YLECLXVETGOOOD-SNVBAGLBSA-N -1 1 308.367 0.063 20 0 DCADMM O=c1n(Cc2ccc(-c3nnn[n-]3)o2)nc2n1CCCCC2 ZINC001593497749 1167879226 /nfs/dbraw/zinc/87/92/26/1167879226.db2.gz KYDUXKRIKHKDGB-UHFFFAOYSA-N -1 1 301.310 0.593 20 0 DCADMM O=c1n(Cc2ccc(-c3nn[n-]n3)o2)nc2n1CCCCC2 ZINC001593497749 1167879237 /nfs/dbraw/zinc/87/92/37/1167879237.db2.gz KYDUXKRIKHKDGB-UHFFFAOYSA-N -1 1 301.310 0.593 20 0 DCADMM O=c1c(-c2nn[n-]n2)cnc2ncn(CCCC3CCC3)n21 ZINC001593494800 1167879521 /nfs/dbraw/zinc/87/95/21/1167879521.db2.gz SCKKHUTWDKNYSP-UHFFFAOYSA-N -1 1 300.326 0.651 20 0 DCADMM O[C@@H](CNc1ncncc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001593507156 1167885769 /nfs/dbraw/zinc/88/57/69/1167885769.db2.gz MYLWSMPVQAUCCO-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H](Cc1cn(Cc2ccnc(-c3nnn[n-]3)c2)nn1)C1CC1 ZINC001593512019 1167891759 /nfs/dbraw/zinc/89/17/59/1167891759.db2.gz PBNRXRGWKRUOMP-ZDUSSCGKSA-N -1 1 312.337 0.215 20 0 DCADMM O[C@@H](Cc1cn(Cc2ccnc(-c3nn[n-]n3)c2)nn1)C1CC1 ZINC001593512019 1167891763 /nfs/dbraw/zinc/89/17/63/1167891763.db2.gz PBNRXRGWKRUOMP-ZDUSSCGKSA-N -1 1 312.337 0.215 20 0 DCADMM OC[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)Cc1ccco1 ZINC001593525867 1167902033 /nfs/dbraw/zinc/90/20/33/1167902033.db2.gz YYEJKVHETJCIIM-SECBINFHSA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)Cc1ccco1 ZINC001593525867 1167902037 /nfs/dbraw/zinc/90/20/37/1167902037.db2.gz YYEJKVHETJCIIM-SECBINFHSA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001593524983 1167902307 /nfs/dbraw/zinc/90/23/07/1167902307.db2.gz WVNHMCDDGLVYQH-SECBINFHSA-N -1 1 301.354 0.743 20 0 DCADMM OC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001593524983 1167902312 /nfs/dbraw/zinc/90/23/12/1167902312.db2.gz WVNHMCDDGLVYQH-SECBINFHSA-N -1 1 301.354 0.743 20 0 DCADMM OCCOC1(CNc2ncncc2-c2nn[n-]n2)CCCCC1 ZINC001593533794 1167918219 /nfs/dbraw/zinc/91/82/19/1167918219.db2.gz ZDCAOZXPTQPGIC-UHFFFAOYSA-N -1 1 319.369 0.780 20 0 DCADMM OC[C@H](Cc1ccc(O)cc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001593541005 1167922725 /nfs/dbraw/zinc/92/27/25/1167922725.db2.gz CXZHIWXGLMMOEK-JTQLQIEISA-N -1 1 313.321 0.378 20 0 DCADMM OC[C@H](Cc1ccc(O)cc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001593541005 1167922733 /nfs/dbraw/zinc/92/27/33/1167922733.db2.gz CXZHIWXGLMMOEK-JTQLQIEISA-N -1 1 313.321 0.378 20 0 DCADMM c1cc(C2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)ncn1 ZINC001593554694 1167929894 /nfs/dbraw/zinc/92/98/94/1167929894.db2.gz RAAOMZFBGXCAOG-UHFFFAOYSA-N -1 1 309.337 0.831 20 0 DCADMM c1cc(C2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)ncn1 ZINC001593554694 1167929905 /nfs/dbraw/zinc/92/99/05/1167929905.db2.gz RAAOMZFBGXCAOG-UHFFFAOYSA-N -1 1 309.337 0.831 20 0 DCADMM c1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)nc(-c2nn[n-]n2)n1 ZINC001593559048 1167939319 /nfs/dbraw/zinc/93/93/19/1167939319.db2.gz SVPSKHJZJGPHQL-WCQGTBRESA-N -1 1 313.365 0.838 20 0 DCADMM c1cnc(N[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)nc1 ZINC001593583985 1167949594 /nfs/dbraw/zinc/94/95/94/1167949594.db2.gz GEHZLMFUIPSVJB-SNVBAGLBSA-N -1 1 309.337 0.743 20 0 DCADMM c1cnc(N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)nc1 ZINC001593583985 1167949596 /nfs/dbraw/zinc/94/95/96/1167949596.db2.gz GEHZLMFUIPSVJB-SNVBAGLBSA-N -1 1 309.337 0.743 20 0 DCADMM c1cn(C[C@H]2CCCN(c3ncncc3-c3nn[n-]n3)C2)nn1 ZINC001593583309 1167950871 /nfs/dbraw/zinc/95/08/71/1167950871.db2.gz XAEYPMKHIWEFPJ-JTQLQIEISA-N -1 1 312.341 0.165 20 0 DCADMM c1cnc(C2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)nc1 ZINC001593584642 1167951267 /nfs/dbraw/zinc/95/12/67/1167951267.db2.gz ZQAVESIMQXQEAJ-UHFFFAOYSA-N -1 1 309.337 0.831 20 0 DCADMM c1cnc(C2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)nc1 ZINC001593584642 1167951270 /nfs/dbraw/zinc/95/12/70/1167951270.db2.gz ZQAVESIMQXQEAJ-UHFFFAOYSA-N -1 1 309.337 0.831 20 0 DCADMM 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1169698461 /nfs/dbraw/zinc/69/84/61/1169698461.db2.gz GAQJKWKMRDJBPL-UHFFFAOYSA-N -1 1 321.295 0.755 20 0 DCADMM CN(Cc1ncnn1CC(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001604823562 1169698464 /nfs/dbraw/zinc/69/84/64/1169698464.db2.gz GAQJKWKMRDJBPL-UHFFFAOYSA-N -1 1 321.295 0.755 20 0 DCADMM CN1CCC2(CCN(c3ncncc3-c3nn[n-]n3)CC2)C1=O ZINC001604855679 1169711330 /nfs/dbraw/zinc/71/13/30/1169711330.db2.gz DSFBVCYKSDSSHT-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM CN1CCCC[C@@H](COC(=O)c2coc(-c3nnn[n-]3)c2)C1=O ZINC001604861771 1169717144 /nfs/dbraw/zinc/71/71/44/1169717144.db2.gz HEFKSCJRYFEASP-VIFPVBQESA-N -1 1 319.321 0.875 20 0 DCADMM CN1CCCC[C@@H](COC(=O)c2coc(-c3nn[n-]n3)c2)C1=O ZINC001604861771 1169717159 /nfs/dbraw/zinc/71/71/59/1169717159.db2.gz HEFKSCJRYFEASP-VIFPVBQESA-N -1 1 319.321 0.875 20 0 DCADMM COC(=O)[C@@H](CNc1ncncc1-c1nn[n-]n1)CC1CC1 ZINC001604905013 1169739261 /nfs/dbraw/zinc/73/92/61/1169739261.db2.gz RZAPUORPDOJEGZ-SECBINFHSA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)C1(O)CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001604918697 1169742911 /nfs/dbraw/zinc/74/29/11/1169742911.db2.gz OFTBDQGEBQSYDR-UHFFFAOYSA-N -1 1 324.366 0.136 20 0 DCADMM COC(=O)C[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001604934232 1169754702 /nfs/dbraw/zinc/75/47/02/1169754702.db2.gz RZASMOVEFWSZBP-VIFPVBQESA-N -1 1 303.326 0.579 20 0 DCADMM COC(=O)C[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001604934232 1169754710 /nfs/dbraw/zinc/75/47/10/1169754710.db2.gz RZASMOVEFWSZBP-VIFPVBQESA-N -1 1 303.326 0.579 20 0 DCADMM COC(=O)c1ccc(N(C)CC[C@H](C)O)c(-c2nnn[n-]2)n1 ZINC001604972489 1169766834 /nfs/dbraw/zinc/76/68/34/1169766834.db2.gz WPADVXGNZKUHEE-QMMMGPOBSA-N -1 1 306.326 0.255 20 0 DCADMM COC(=O)c1ccc(N(C)CC[C@H](C)O)c(-c2nn[n-]n2)n1 ZINC001604972489 1169766837 /nfs/dbraw/zinc/76/68/37/1169766837.db2.gz WPADVXGNZKUHEE-QMMMGPOBSA-N -1 1 306.326 0.255 20 0 DCADMM CO[C@]1(C)CCCN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001605015218 1169781617 /nfs/dbraw/zinc/78/16/17/1169781617.db2.gz IPSKESWJKJABEG-NOZJJQNGSA-N -1 1 320.357 0.047 20 0 DCADMM COC/C(C)=C/Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC001605043788 1169793186 /nfs/dbraw/zinc/79/31/86/1169793186.db2.gz AEBOLXJWTONTDD-RUDMXATFSA-N -1 1 319.321 0.408 20 0 DCADMM COC[C@@](C)(O)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001605044215 1169793908 /nfs/dbraw/zinc/79/39/08/1169793908.db2.gz KHLWQDCPNGZTFD-ZDUSSCGKSA-N -1 1 309.301 0.133 20 0 DCADMM COC[C@@](C)(O)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001605044215 1169793914 /nfs/dbraw/zinc/79/39/14/1169793914.db2.gz KHLWQDCPNGZTFD-ZDUSSCGKSA-N -1 1 309.301 0.133 20 0 DCADMM COCC[C@](C)(O)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605079628 1169815546 /nfs/dbraw/zinc/81/55/46/1169815546.db2.gz XCRHPOWAGSWGTL-LBPRGKRZSA-N -1 1 311.367 0.446 20 0 DCADMM COCCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001605087591 1169815652 /nfs/dbraw/zinc/81/56/52/1169815652.db2.gz NYFXCFJMHNOTHJ-UHFFFAOYSA-N -1 1 311.367 0.399 20 0 DCADMM COCCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001605087591 1169815661 /nfs/dbraw/zinc/81/56/61/1169815661.db2.gz NYFXCFJMHNOTHJ-UHFFFAOYSA-N -1 1 311.367 0.399 20 0 DCADMM COCCOC[C@@H](C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605109395 1169828403 /nfs/dbraw/zinc/82/84/03/1169828403.db2.gz MJMWJPHUAYTBIZ-MRVPVSSYSA-N -1 1 311.367 0.710 20 0 DCADMM COCCn1cc(-c2nnn[n-]2)c(I)n1 ZINC001605124807 1169834995 /nfs/dbraw/zinc/83/49/95/1169834995.db2.gz OQSHQTVXYRFNOI-UHFFFAOYSA-N -1 1 320.094 0.314 20 0 DCADMM COCCn1cc(-c2nn[n-]n2)c(I)n1 ZINC001605124807 1169835001 /nfs/dbraw/zinc/83/50/01/1169835001.db2.gz OQSHQTVXYRFNOI-UHFFFAOYSA-N -1 1 320.094 0.314 20 0 DCADMM CO[C@H](C)CNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001605152216 1169848366 /nfs/dbraw/zinc/84/83/66/1169848366.db2.gz AUYNBNRJLYRBQB-SSDOTTSWSA-N -1 1 317.396 0.383 20 0 DCADMM COc1ccc(OC)c([C@H](O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001605304897 1169891851 /nfs/dbraw/zinc/89/18/51/1169891851.db2.gz UVNDYKUDVNWRJX-SNVBAGLBSA-N -1 1 317.309 0.209 20 0 DCADMM COc1cccc(CCNC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001605317922 1169893151 /nfs/dbraw/zinc/89/31/51/1169893151.db2.gz WKUMJHPRYBJOIB-UHFFFAOYSA-N -1 1 314.305 0.836 20 0 DCADMM COc1cccc(CCNC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001605317922 1169893161 /nfs/dbraw/zinc/89/31/61/1169893161.db2.gz WKUMJHPRYBJOIB-UHFFFAOYSA-N -1 1 314.305 0.836 20 0 DCADMM COc1ncc(NC(=O)N(C)CCCCO)cc1-c1nn[n-]n1 ZINC001605346822 1169899448 /nfs/dbraw/zinc/89/94/48/1169899448.db2.gz DSPJDGYDTFNNSK-UHFFFAOYSA-N -1 1 321.341 0.507 20 0 DCADMM COc1nscc1Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001605352811 1169900954 /nfs/dbraw/zinc/90/09/54/1169900954.db2.gz VFHOJCTXECQELN-UHFFFAOYSA-N -1 1 304.335 0.850 20 0 DCADMM COc1ncc(NC(=O)CCCCC(N)=O)cc1-c1nn[n-]n1 ZINC001605348361 1169901755 /nfs/dbraw/zinc/90/17/55/1169901755.db2.gz NURGUAMRGUVYQS-UHFFFAOYSA-N -1 1 319.325 0.255 20 0 DCADMM CS(=O)(=O)CC1(CNc2nccnc2-c2nnn[n-]2)CCC1 ZINC001605353450 1169902621 /nfs/dbraw/zinc/90/26/21/1169902621.db2.gz HOFUZAGDQOMJNK-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM CS(=O)(=O)CC1(CNc2nccnc2-c2nn[n-]n2)CCC1 ZINC001605353450 1169902626 /nfs/dbraw/zinc/90/26/26/1169902626.db2.gz HOFUZAGDQOMJNK-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM CS[C@@H](CO)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001605368794 1169906483 /nfs/dbraw/zinc/90/64/83/1169906483.db2.gz NTVVSQKDQSZWRD-WKEGUHRASA-N -1 1 311.367 0.610 20 0 DCADMM CS[C@@H](CO)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001605368794 1169906485 /nfs/dbraw/zinc/90/64/85/1169906485.db2.gz NTVVSQKDQSZWRD-WKEGUHRASA-N -1 1 311.367 0.610 20 0 DCADMM C[C@@H]1OCCO[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001605426595 1169918098 /nfs/dbraw/zinc/91/80/98/1169918098.db2.gz CESVOXSTODFIET-CPCISQLKSA-N -1 1 305.294 0.315 20 0 DCADMM C[C@H]1COC(C)(C)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001605445556 1169922810 /nfs/dbraw/zinc/92/28/10/1169922810.db2.gz VNNXTJQQESRJSI-VIFPVBQESA-N -1 1 302.338 0.901 20 0 DCADMM C[C@H]1COC(C)(C)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001605445556 1169922812 /nfs/dbraw/zinc/92/28/12/1169922812.db2.gz VNNXTJQQESRJSI-VIFPVBQESA-N -1 1 302.338 0.901 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCCO1 ZINC001605457269 1169928431 /nfs/dbraw/zinc/92/84/31/1169928431.db2.gz DZCIXVGXRPYYPA-UHFFFAOYSA-N -1 1 318.337 0.681 20 0 DCADMM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)Cc3ccn[nH]3)C2)cn1 ZINC001605492624 1169939137 /nfs/dbraw/zinc/93/91/37/1169939137.db2.gz XWSHKZRGOQNPEW-QWRGUYRKSA-N -1 1 317.349 0.403 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@]1(C)CCOC1 ZINC001605509748 1169942943 /nfs/dbraw/zinc/94/29/43/1169942943.db2.gz HXYRZWGTYJOOSP-CQSZACIVSA-N -1 1 318.337 0.432 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1 ZINC001605558457 1169958484 /nfs/dbraw/zinc/95/84/84/1169958484.db2.gz UKOKXPJMOXNJCX-SKDRFNHKSA-N -1 1 301.354 0.969 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1 ZINC001605558457 1169958487 /nfs/dbraw/zinc/95/84/87/1169958487.db2.gz UKOKXPJMOXNJCX-SKDRFNHKSA-N -1 1 301.354 0.969 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(C)(C)CC[C@H]2CO)n1 ZINC001605557851 1169959499 /nfs/dbraw/zinc/95/94/99/1169959499.db2.gz PHUYCRMYESAZFJ-JTQLQIEISA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(C)(C)CC[C@H]2CO)n1 ZINC001605557851 1169959503 /nfs/dbraw/zinc/95/95/03/1169959503.db2.gz PHUYCRMYESAZFJ-JTQLQIEISA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(CC2)COCCO3)n1 ZINC001605559639 1169961185 /nfs/dbraw/zinc/96/11/85/1169961185.db2.gz DIPSKCCWBKLKEX-UHFFFAOYSA-N -1 1 317.353 0.351 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(CC2)COCCO3)n1 ZINC001605559639 1169961188 /nfs/dbraw/zinc/96/11/88/1169961188.db2.gz DIPSKCCWBKLKEX-UHFFFAOYSA-N -1 1 317.353 0.351 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC001605560846 1169961215 /nfs/dbraw/zinc/96/12/15/1169961215.db2.gz IRSATSDBRPJEIZ-GFCCVEGCSA-N -1 1 313.365 0.818 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC001605560846 1169961221 /nfs/dbraw/zinc/96/12/21/1169961221.db2.gz IRSATSDBRPJEIZ-GFCCVEGCSA-N -1 1 313.365 0.818 20 0 DCADMM Cc1cc(-c2noc([C@H](C)n3cnc(-c4nn[n-]n4)n3)n2)ccn1 ZINC001605585135 1169966312 /nfs/dbraw/zinc/96/63/12/1169966312.db2.gz LMQFWRDTWIIMMG-QMMMGPOBSA-N -1 1 324.308 0.821 20 0 DCADMM CCO[C@H]1C[C@@](NC(=O)CCc2nc[nH]n2)(C(=O)[O-])C1(C)C ZINC001605604147 1169969910 /nfs/dbraw/zinc/96/99/10/1169969910.db2.gz IXYRQIIWQPTQRT-LKFCYVNXSA-N -1 1 310.354 0.512 20 0 DCADMM Cc1cc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001605689676 1169986309 /nfs/dbraw/zinc/98/63/09/1169986309.db2.gz WWNMVBMYLPNXTH-NXEZZACHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1cc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605689676 1169986313 /nfs/dbraw/zinc/98/63/13/1169986313.db2.gz WWNMVBMYLPNXTH-NXEZZACHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1cc(N2CCN([S@](C)(=N)=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001605699762 1169987925 /nfs/dbraw/zinc/98/79/25/1169987925.db2.gz GLZYOQDUKPUWQL-QFIPXVFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1cc(N2CCN([S@](C)(=N)=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001605699762 1169987929 /nfs/dbraw/zinc/98/79/29/1169987929.db2.gz GLZYOQDUKPUWQL-QFIPXVFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1cc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)nc(-c2nnn[n-]2)c1 ZINC001605729963 1169993721 /nfs/dbraw/zinc/99/37/21/1169993721.db2.gz CXRCXJMOSWZIRR-SCVCMEIPSA-N -1 1 302.338 0.786 20 0 DCADMM Cc1cc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)nc(-c2nn[n-]n2)c1 ZINC001605729963 1169993728 /nfs/dbraw/zinc/99/37/28/1169993728.db2.gz CXRCXJMOSWZIRR-SCVCMEIPSA-N -1 1 302.338 0.786 20 0 DCADMM Cc1ccc(NC[C@H]2CCCS2(=O)=O)c(-c2nnn[n-]2)n1 ZINC001605875080 1170019749 /nfs/dbraw/zinc/01/97/49/1170019749.db2.gz XRJOPFAUJFCRIS-SECBINFHSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc(NC[C@H]2CCCS2(=O)=O)c(-c2nn[n-]n2)n1 ZINC001605875080 1170019754 /nfs/dbraw/zinc/01/97/54/1170019754.db2.gz XRJOPFAUJFCRIS-SECBINFHSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1cccc(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001605902185 1170024185 /nfs/dbraw/zinc/02/41/85/1170024185.db2.gz CYQXJVNVKQZRON-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1cccc(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001605902185 1170024187 /nfs/dbraw/zinc/02/41/87/1170024187.db2.gz CYQXJVNVKQZRON-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CN(Cc2n[nH]c(C3CC3)n2)C1 ZINC001605956024 1170034194 /nfs/dbraw/zinc/03/41/94/1170034194.db2.gz FAJTUZRWVZXNJY-GHMZBOCLSA-N -1 1 319.365 0.045 20 0 DCADMM Cc1[nH]nc(NC(=O)C(C)(C)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC001606013284 1170049625 /nfs/dbraw/zinc/04/96/25/1170049625.db2.gz KNKJPLOPFMHTEW-UHFFFAOYSA-N -1 1 315.341 0.548 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](C(=O)N(C)C)C2)n1 ZINC001606021322 1170052363 /nfs/dbraw/zinc/05/23/63/1170052363.db2.gz RLKILVORFHFRDZ-SNVBAGLBSA-N -1 1 316.369 0.270 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](C(=O)N(C)C)C2)n1 ZINC001606021322 1170052366 /nfs/dbraw/zinc/05/23/66/1170052366.db2.gz RLKILVORFHFRDZ-SNVBAGLBSA-N -1 1 316.369 0.270 20 0 DCADMM Cc1nc(N[C@@H]2CC[C@H]([S@@](C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001606063446 1170068308 /nfs/dbraw/zinc/06/83/08/1170068308.db2.gz PFLYPEWXZIIXOY-KRNBLGIKSA-N -1 1 307.383 0.677 20 0 DCADMM Cc1nc(N[C@@H]2CC[C@H]([S@@](C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001606063446 1170068312 /nfs/dbraw/zinc/06/83/12/1170068312.db2.gz PFLYPEWXZIIXOY-KRNBLGIKSA-N -1 1 307.383 0.677 20 0 DCADMM Cc1nc(NC[C@@](C)(O)C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001606066689 1170068850 /nfs/dbraw/zinc/06/88/50/1170068850.db2.gz HSEOYUYUGOGDJG-SECBINFHSA-N -1 1 303.248 0.690 20 0 DCADMM Cc1nc(NC[C@@](C)(O)C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001606066689 1170068858 /nfs/dbraw/zinc/06/88/58/1170068858.db2.gz HSEOYUYUGOGDJG-SECBINFHSA-N -1 1 303.248 0.690 20 0 DCADMM Cc1nc(NCCOc2ncccc2F)cc(-c2nnn[n-]2)n1 ZINC001606074221 1170070343 /nfs/dbraw/zinc/07/03/43/1170070343.db2.gz CZWSZEPVZREPCS-UHFFFAOYSA-N -1 1 316.300 0.990 20 0 DCADMM Cc1nc(NCCOc2ncccc2F)cc(-c2nn[n-]n2)n1 ZINC001606074221 1170070351 /nfs/dbraw/zinc/07/03/51/1170070351.db2.gz CZWSZEPVZREPCS-UHFFFAOYSA-N -1 1 316.300 0.990 20 0 DCADMM Cc1nc2ccnn2cc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001606083771 1170071087 /nfs/dbraw/zinc/07/10/87/1170071087.db2.gz LTZIHIKSCWTVPU-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1nc2ccnn2cc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001606083771 1170071094 /nfs/dbraw/zinc/07/10/94/1170071094.db2.gz LTZIHIKSCWTVPU-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM CN(CC(=O)NC1CC(CC(=O)[O-])C1)c1ncnc2[nH]cnc21 ZINC001606080764 1170071990 /nfs/dbraw/zinc/07/19/90/1170071990.db2.gz OXYZTCVMSFDYII-UHFFFAOYSA-N -1 1 318.337 0.159 20 0 DCADMM CN(C)c1nc(N)nc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])n1 ZINC001606079539 1170072337 /nfs/dbraw/zinc/07/23/37/1170072337.db2.gz FSOWTSOPFJINCE-QXEWZRGKSA-N -1 1 306.370 0.205 20 0 DCADMM Cc1nn(C)c(NC(=O)C=Cc2cnn(C)c2)c1-c1nnn[n-]1 ZINC001606110034 1170079360 /nfs/dbraw/zinc/07/93/60/1170079360.db2.gz IJLBUNCOQZATBI-PLNGDYQASA-N -1 1 313.325 0.294 20 0 DCADMM Cc1nn(C)c(NC(=O)C=Cc2cnn(C)c2)c1-c1nn[n-]n1 ZINC001606110034 1170079365 /nfs/dbraw/zinc/07/93/65/1170079365.db2.gz IJLBUNCOQZATBI-PLNGDYQASA-N -1 1 313.325 0.294 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)oc2C)o1 ZINC001606119554 1170082148 /nfs/dbraw/zinc/08/21/48/1170082148.db2.gz HSTRBCWXLXWIRV-YFKPBYRVSA-N -1 1 303.282 0.951 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)o1 ZINC001606119554 1170082156 /nfs/dbraw/zinc/08/21/56/1170082156.db2.gz HSTRBCWXLXWIRV-YFKPBYRVSA-N -1 1 303.282 0.951 20 0 DCADMM Cc1nocc1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606137321 1170091267 /nfs/dbraw/zinc/09/12/67/1170091267.db2.gz GCSSHBUQXYTAIP-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1nocc1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606137321 1170091270 /nfs/dbraw/zinc/09/12/70/1170091270.db2.gz GCSSHBUQXYTAIP-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](C)C[C@H](C)O)c1-c1nn[n-]n1 ZINC001606152232 1170096052 /nfs/dbraw/zinc/09/60/52/1170096052.db2.gz SESPFIQZRXJXCT-WDSKDSINSA-N -1 1 311.371 0.913 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](C)C[C@H](C)O)c1-c1nnn[n-]1 ZINC001606152232 1170096046 /nfs/dbraw/zinc/09/60/46/1170096046.db2.gz SESPFIQZRXJXCT-WDSKDSINSA-N -1 1 311.371 0.913 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCn2cnnc2[C@H]1C ZINC001606167092 1170100737 /nfs/dbraw/zinc/10/07/37/1170100737.db2.gz ZAVSMPKMGQKFCL-SSDOTTSWSA-N -1 1 314.309 0.577 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCn2cnnc2[C@H]1C ZINC001606167092 1170100738 /nfs/dbraw/zinc/10/07/38/1170100738.db2.gz ZAVSMPKMGQKFCL-SSDOTTSWSA-N -1 1 314.309 0.577 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cccc(=O)[nH]1 ZINC001606168125 1170101576 /nfs/dbraw/zinc/10/15/76/1170101576.db2.gz ARLKIFGAPXZDLY-UHFFFAOYSA-N -1 1 300.278 0.799 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cccc(=O)[nH]1 ZINC001606168125 1170101580 /nfs/dbraw/zinc/10/15/80/1170101580.db2.gz ARLKIFGAPXZDLY-UHFFFAOYSA-N -1 1 300.278 0.799 20 0 DCADMM Cc1onc(CC(=O)N2CCC(C)(O)CC2)c1-c1nnn[n-]1 ZINC001606178586 1170104179 /nfs/dbraw/zinc/10/41/79/1170104179.db2.gz NWBUATXQOJLAOI-UHFFFAOYSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N2CCC(C)(O)CC2)c1-c1nn[n-]n1 ZINC001606178586 1170104185 /nfs/dbraw/zinc/10/41/85/1170104185.db2.gz NWBUATXQOJLAOI-UHFFFAOYSA-N -1 1 306.326 0.079 20 0 DCADMM Clc1cncc(OCCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001606198036 1170108639 /nfs/dbraw/zinc/10/86/39/1170108639.db2.gz AAQXJWQYFDBFAC-UHFFFAOYSA-N -1 1 318.728 0.618 20 0 DCADMM CN1C[C@H](O)C[C@]1(C)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001606203697 1170111615 /nfs/dbraw/zinc/11/16/15/1170111615.db2.gz AFOZQGFXIAIFMX-CZUORRHYSA-N -1 1 306.362 0.499 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@H]2CCCSC2)c(-c2nn[n-]n2)c1=O ZINC001606205441 1170112295 /nfs/dbraw/zinc/11/22/95/1170112295.db2.gz FINQGFPACGESEY-SSDOTTSWSA-N -1 1 323.382 0.221 20 0 DCADMM Cn1c(=O)[nH]c(NCC2CC(F)(F)C2)c(-c2nn[n-]n2)c1=O ZINC001606206270 1170112870 /nfs/dbraw/zinc/11/28/70/1170112870.db2.gz UPVDJOPCLKNSMT-UHFFFAOYSA-N -1 1 313.268 0.123 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@](C)(O)CC2)n1 ZINC001606223555 1170121044 /nfs/dbraw/zinc/12/10/44/1170121044.db2.gz SIYBEVBTYISLLR-CYBMUJFWSA-N -1 1 320.357 0.369 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@](C)(O)CC2)n1 ZINC001606223555 1170121046 /nfs/dbraw/zinc/12/10/46/1170121046.db2.gz SIYBEVBTYISLLR-CYBMUJFWSA-N -1 1 320.357 0.369 20 0 DCADMM Cn1cc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c(C2CCC2)n1 ZINC001606235662 1170130921 /nfs/dbraw/zinc/13/09/21/1170130921.db2.gz MJRBGZUCZINVCK-LBPRGKRZSA-N -1 1 320.393 0.776 20 0 DCADMM CN1CCN(Cc2cccc(C(=O)N3CC[C@H]3C(=O)[O-])c2)CC1 ZINC001606244745 1170134042 /nfs/dbraw/zinc/13/40/42/1170134042.db2.gz PLLOVDSMKOOFTE-HNNXBMFYSA-N -1 1 317.389 0.733 20 0 DCADMM CNC(=O)[C@H](NC(=O)CN[C@H](C(=O)[O-])C1CC1)c1ccccc1 ZINC001606261914 1170139918 /nfs/dbraw/zinc/13/99/18/1170139918.db2.gz ZZJMXJZQFFGJKE-KGLIPLIRSA-N -1 1 319.361 0.043 20 0 DCADMM Cn1ncc2c1nc(NCc1ccnc(-c3nnn[n-]3)c1)[nH]c2=O ZINC001606277438 1170145328 /nfs/dbraw/zinc/14/53/28/1170145328.db2.gz VSHFPVNMSDDEHR-UHFFFAOYSA-N -1 1 324.308 0.256 20 0 DCADMM Cn1ncc2c1nc(NCc1ccnc(-c3nn[n-]n3)c1)[nH]c2=O ZINC001606277438 1170145333 /nfs/dbraw/zinc/14/53/33/1170145333.db2.gz VSHFPVNMSDDEHR-UHFFFAOYSA-N -1 1 324.308 0.256 20 0 DCADMM Cn1nccc1[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001606281320 1170147707 /nfs/dbraw/zinc/14/77/07/1170147707.db2.gz AKPJHFPNUAYZKR-LBPRGKRZSA-N -1 1 315.337 0.767 20 0 DCADMM Cn1nccc1[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001606281320 1170147711 /nfs/dbraw/zinc/14/77/11/1170147711.db2.gz AKPJHFPNUAYZKR-LBPRGKRZSA-N -1 1 315.337 0.767 20 0 DCADMM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001606323669 1170158238 /nfs/dbraw/zinc/15/82/38/1170158238.db2.gz MHCYBKQSJWASGV-SNVBAGLBSA-N -1 1 318.289 0.218 20 0 DCADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCc1cnc[nH]1 ZINC001606369841 1170171832 /nfs/dbraw/zinc/17/18/32/1170171832.db2.gz HYRDJAYNTAHJFL-ONGXEEELSA-N -1 1 309.322 0.207 20 0 DCADMM NC(=O)C1CCN(C(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001606408823 1170188405 /nfs/dbraw/zinc/18/84/05/1170188405.db2.gz IUAMVWIZOYHMJM-UHFFFAOYSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)C1CCN(C(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001606408823 1170188409 /nfs/dbraw/zinc/18/84/09/1170188409.db2.gz IUAMVWIZOYHMJM-UHFFFAOYSA-N -1 1 306.351 0.266 20 0 DCADMM COC(=O)[C@H]1CN(Cc2ccnn2CC(C)C)C[C@@H]1C(=O)[O-] ZINC001606428831 1170197098 /nfs/dbraw/zinc/19/70/98/1170197098.db2.gz GWXGJGLRQKPVEC-STQMWFEESA-N -1 1 309.366 0.845 20 0 DCADMM COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)C[C@H]1C(=O)[O-] ZINC001606428876 1170197626 /nfs/dbraw/zinc/19/76/26/1170197626.db2.gz HGUCTNOLTHQZED-RKDXNWHRSA-N -1 1 313.331 0.752 20 0 DCADMM NC(=O)c1ccc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001606430199 1170198242 /nfs/dbraw/zinc/19/82/42/1170198242.db2.gz RIZIBNIDURMEMK-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM NC(=O)c1ccc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001606430199 1170198245 /nfs/dbraw/zinc/19/82/45/1170198245.db2.gz RIZIBNIDURMEMK-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM COC(=O)[C@@H]1CNCCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC001606431495 1170198610 /nfs/dbraw/zinc/19/86/10/1170198610.db2.gz LEEICHUQDRTZSJ-QMMMGPOBSA-N -1 1 312.347 0.423 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2ccnn2CC2CCC2)C[C@H]1C(=O)[O-] ZINC001606432192 1170199471 /nfs/dbraw/zinc/19/94/71/1170199471.db2.gz ZKPJGCJPSMWZEY-ZIAGYGMSSA-N -1 1 321.377 0.989 20 0 DCADMM COC(=O)[C@H]1CN(Cc2nn(C)c3ccccc23)C[C@@H]1C(=O)[O-] ZINC001606432783 1170199885 /nfs/dbraw/zinc/19/98/85/1170199885.db2.gz UJQYPUFUVOKWFD-RYUDHWBXSA-N -1 1 317.345 0.879 20 0 DCADMM COC(=O)CCN1CCN(c2nccc(C(=O)[O-])n2)[C@H](C)C1 ZINC001606454859 1170210465 /nfs/dbraw/zinc/21/04/65/1170210465.db2.gz HTBXLUNUAZDUCC-SNVBAGLBSA-N -1 1 308.338 0.248 20 0 DCADMM Nc1nnc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)o1 ZINC001606456595 1170212853 /nfs/dbraw/zinc/21/28/53/1170212853.db2.gz WFCFMPXLRMQXFV-UHFFFAOYSA-N -1 1 324.308 0.430 20 0 DCADMM Nc1nnc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)o1 ZINC001606456595 1170212860 /nfs/dbraw/zinc/21/28/60/1170212860.db2.gz WFCFMPXLRMQXFV-UHFFFAOYSA-N -1 1 324.308 0.430 20 0 DCADMM Nc1nnc([C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001606456636 1170213102 /nfs/dbraw/zinc/21/31/02/1170213102.db2.gz XXTFIBDAGSLRNY-ZETCQYMHSA-N -1 1 314.313 0.006 20 0 DCADMM COC(=O)c1[nH]c(CN2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)cc1C ZINC001606522516 1170228477 /nfs/dbraw/zinc/22/84/77/1170228477.db2.gz NKSUVGFMJVMREV-WDEREUQCSA-N -1 1 324.333 0.415 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC[C@H]1CCOC1 ZINC001606596286 1170241292 /nfs/dbraw/zinc/24/12/92/1170241292.db2.gz GESVDTANRPNVSZ-SNVBAGLBSA-N -1 1 303.322 0.774 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC[C@H]1CCOC1 ZINC001606596286 1170241296 /nfs/dbraw/zinc/24/12/96/1170241296.db2.gz GESVDTANRPNVSZ-SNVBAGLBSA-N -1 1 303.322 0.774 20 0 DCADMM O=C(Cc1cccc(O)c1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001606602958 1170241624 /nfs/dbraw/zinc/24/16/24/1170241624.db2.gz OEMHTBHSJRAQMI-UHFFFAOYSA-N -1 1 310.317 0.826 20 0 DCADMM O=C(Cc1cccc(O)c1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001606602958 1170241627 /nfs/dbraw/zinc/24/16/27/1170241627.db2.gz OEMHTBHSJRAQMI-UHFFFAOYSA-N -1 1 310.317 0.826 20 0 DCADMM O=C(N=S1(=O)CCOCC1)c1cc([O-])cc(-c2nn[nH]n2)c1 ZINC001606634624 1170247822 /nfs/dbraw/zinc/24/78/22/1170247822.db2.gz XSAFVXMCALBEQN-UHFFFAOYSA-N -1 1 323.334 0.211 20 0 DCADMM O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001606647020 1170251264 /nfs/dbraw/zinc/25/12/64/1170251264.db2.gz JRFUGRZFLKYZBQ-QMMMGPOBSA-N -1 1 318.362 0.421 20 0 DCADMM O=C(NC1CC1)[C@H]1CCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001606653531 1170253507 /nfs/dbraw/zinc/25/35/07/1170253507.db2.gz MJLYXMBTLUEDRF-SNVBAGLBSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(NC1CC1)[C@H]1CCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001606653531 1170253510 /nfs/dbraw/zinc/25/35/10/1170253510.db2.gz MJLYXMBTLUEDRF-SNVBAGLBSA-N -1 1 316.321 0.343 20 0 DCADMM CO[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)[C@@H](C(=O)[O-])C1 ZINC001606750509 1170278137 /nfs/dbraw/zinc/27/81/37/1170278137.db2.gz LMDWOWGSFFYHBU-GIPNMCIBSA-N -1 1 307.350 0.605 20 0 DCADMM O=C(NC/C=C\CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606754301 1170279129 /nfs/dbraw/zinc/27/91/29/1170279129.db2.gz UWXWZLBBQWQQRN-UPHRSURJSA-N -1 1 315.746 0.647 20 0 DCADMM O=C(NCCC1(O)CCOCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606758518 1170279225 /nfs/dbraw/zinc/27/92/25/1170279225.db2.gz WAENLPQHBGHPOE-UHFFFAOYSA-N -1 1 307.310 0.121 20 0 DCADMM O=C(NCCC1(O)CCOCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606758518 1170279229 /nfs/dbraw/zinc/27/92/29/1170279229.db2.gz WAENLPQHBGHPOE-UHFFFAOYSA-N -1 1 307.310 0.121 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001606781348 1170288088 /nfs/dbraw/zinc/28/80/88/1170288088.db2.gz FYWUEPVYNFJFOH-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001606781348 1170288097 /nfs/dbraw/zinc/28/80/97/1170288097.db2.gz FYWUEPVYNFJFOH-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccccc1O ZINC001606786403 1170289030 /nfs/dbraw/zinc/28/90/30/1170289030.db2.gz XSLCOXOUMNFRDT-GFCCVEGCSA-N -1 1 303.336 0.550 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc(=O)[nH]c1 ZINC001606831400 1170306399 /nfs/dbraw/zinc/30/63/99/1170306399.db2.gz YKSJJGXSPWZDCS-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@@H]1CCC[C@H]1O ZINC001606843936 1170310798 /nfs/dbraw/zinc/31/07/98/1170310798.db2.gz GYDMLNUPJLPBPU-IONNQARKSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@@H]1CCC[C@H]1O ZINC001606843936 1170310805 /nfs/dbraw/zinc/31/08/05/1170310805.db2.gz GYDMLNUPJLPBPU-IONNQARKSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@H]1CCC=CO1 ZINC001606844808 1170311510 /nfs/dbraw/zinc/31/15/10/1170311510.db2.gz XGCFSASYJLUFMX-MRVPVSSYSA-N -1 1 321.366 0.815 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@H]1CCC=CO1 ZINC001606844808 1170311514 /nfs/dbraw/zinc/31/15/14/1170311514.db2.gz XGCFSASYJLUFMX-MRVPVSSYSA-N -1 1 321.366 0.815 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1c[nH]nc1C1CC1 ZINC001606844916 1170311626 /nfs/dbraw/zinc/31/16/26/1170311626.db2.gz YRCUWRDNYMHEON-UHFFFAOYSA-N -1 1 316.350 0.854 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1c[nH]nc1C1CC1 ZINC001606844916 1170311631 /nfs/dbraw/zinc/31/16/31/1170311631.db2.gz YRCUWRDNYMHEON-UHFFFAOYSA-N -1 1 316.350 0.854 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCCc2n[nH]cc21 ZINC001606943676 1170335750 /nfs/dbraw/zinc/33/57/50/1170335750.db2.gz DAXMTZWUZIRONC-UHFFFAOYSA-N -1 1 311.309 0.970 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCO[C@@H](CF)C1 ZINC001606943876 1170336427 /nfs/dbraw/zinc/33/64/27/1170336427.db2.gz GCNYMOCPXHTDKM-VIFPVBQESA-N -1 1 307.289 0.464 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCO[C@@H](CF)C1 ZINC001606943876 1170336432 /nfs/dbraw/zinc/33/64/32/1170336432.db2.gz GCNYMOCPXHTDKM-VIFPVBQESA-N -1 1 307.289 0.464 20 0 DCADMM O=C([O-])C[N@@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)CC1CC1 ZINC001606957783 1170337246 /nfs/dbraw/zinc/33/72/46/1170337246.db2.gz JYCBMFRCNMFIHN-ZDUSSCGKSA-N -1 1 317.349 0.697 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001606964541 1170340132 /nfs/dbraw/zinc/34/01/32/1170340132.db2.gz VTQWDGCYRLVPER-MRVPVSSYSA-N -1 1 303.278 0.024 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC001606964541 1170340138 /nfs/dbraw/zinc/34/01/38/1170340138.db2.gz VTQWDGCYRLVPER-MRVPVSSYSA-N -1 1 303.278 0.024 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCOC1 ZINC001606963705 1170341244 /nfs/dbraw/zinc/34/12/44/1170341244.db2.gz HFZYXQLLNNZSBI-ZETCQYMHSA-N -1 1 308.319 0.691 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCOC1 ZINC001606963705 1170341251 /nfs/dbraw/zinc/34/12/51/1170341251.db2.gz HFZYXQLLNNZSBI-ZETCQYMHSA-N -1 1 308.319 0.691 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1C[C@H](O)Cc2ccccc21 ZINC001607025836 1170358329 /nfs/dbraw/zinc/35/83/29/1170358329.db2.gz MKRRCNOCRZZMBE-GFCCVEGCSA-N -1 1 322.328 0.826 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1C[C@H](O)Cc2ccccc21 ZINC001607025836 1170358334 /nfs/dbraw/zinc/35/83/34/1170358334.db2.gz MKRRCNOCRZZMBE-GFCCVEGCSA-N -1 1 322.328 0.826 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001607026007 1170358384 /nfs/dbraw/zinc/35/83/84/1170358384.db2.gz SWZPSANEOJVBQH-XHDPSFHLSA-N -1 1 314.349 0.496 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001607026007 1170358391 /nfs/dbraw/zinc/35/83/91/1170358391.db2.gz SWZPSANEOJVBQH-XHDPSFHLSA-N -1 1 314.349 0.496 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CNC(=O)c2ccccc21 ZINC001607049558 1170369963 /nfs/dbraw/zinc/36/99/63/1170369963.db2.gz GGXXLXGEBQOTJG-VIFPVBQESA-N -1 1 324.304 0.056 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CNC(=O)c2ccccc21 ZINC001607049558 1170369966 /nfs/dbraw/zinc/36/99/66/1170369966.db2.gz GGXXLXGEBQOTJG-VIFPVBQESA-N -1 1 324.304 0.056 20 0 DCADMM O=S(=O)(Oc1cccnc1F)c1cccnc1-c1nn[n-]n1 ZINC001607069206 1170378681 /nfs/dbraw/zinc/37/86/81/1170378681.db2.gz CTRVHKUHIBOWFS-UHFFFAOYSA-N -1 1 322.281 0.564 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCOc2ccccc2C1 ZINC001607091971 1170388501 /nfs/dbraw/zinc/38/85/01/1170388501.db2.gz OIXIPIDENZPNPQ-UHFFFAOYSA-N -1 1 324.344 0.881 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1nncn1-c1ccccc1 ZINC001607091463 1170388549 /nfs/dbraw/zinc/38/85/49/1170388549.db2.gz OBCDVUFDFRNLKW-UHFFFAOYSA-N -1 1 320.316 0.657 20 0 DCADMM COc1cc(C(=O)[O-])cc(NC(=O)CCc2nn[nH]n2)c1OC ZINC001607092661 1170389430 /nfs/dbraw/zinc/38/94/30/1170389430.db2.gz DPOMCYUUFICBKW-UHFFFAOYSA-N -1 1 321.293 0.486 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001607091877 1170389706 /nfs/dbraw/zinc/38/97/06/1170389706.db2.gz LWYABNFPBSLVLC-NHYWBVRUSA-N -1 1 317.349 0.757 20 0 DCADMM c1nn(-c2ccccc2)cc1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001607129044 1170406088 /nfs/dbraw/zinc/40/60/88/1170406088.db2.gz SPFVDFPUFVXRMO-UHFFFAOYSA-N -1 1 319.332 0.876 20 0 DCADMM c1[nH]nc(-c2cccnc2)c1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001607136029 1170407568 /nfs/dbraw/zinc/40/75/68/1170407568.db2.gz KPJLXFWRQWTPJX-UHFFFAOYSA-N -1 1 308.309 0.987 20 0 DCADMM c1[nH]nc(-c2cccnc2)c1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001607136029 1170407569 /nfs/dbraw/zinc/40/75/69/1170407569.db2.gz KPJLXFWRQWTPJX-UHFFFAOYSA-N -1 1 308.309 0.987 20 0 DCADMM c1c(CCNc2cncc(-c3nnn[n-]3)n2)nc2n1CCS2 ZINC001607138136 1170409026 /nfs/dbraw/zinc/40/90/26/1170409026.db2.gz BIXFQVDLTRGAGV-UHFFFAOYSA-N -1 1 315.366 0.614 20 0 DCADMM c1c(CCNc2cncc(-c3nn[n-]n3)n2)nc2n1CCS2 ZINC001607138136 1170409028 /nfs/dbraw/zinc/40/90/28/1170409028.db2.gz BIXFQVDLTRGAGV-UHFFFAOYSA-N -1 1 315.366 0.614 20 0 DCADMM c1cc(O[C@H]2CC[N@@H+](Cc3cncnc3)C2)ncc1-c1nn[nH]n1 ZINC001607138688 1170409142 /nfs/dbraw/zinc/40/91/42/1170409142.db2.gz ILSSQPWGYMZWIG-ZDUSSCGKSA-N -1 1 324.348 0.705 20 0 DCADMM COc1cc(C)c(C(=O)N2CCN(CC(=O)[O-])CC2)cc1OC ZINC001607146581 1170410482 /nfs/dbraw/zinc/41/04/82/1170410482.db2.gz AROYNTVBEXYUJE-UHFFFAOYSA-N -1 1 322.361 0.855 20 0 DCADMM COc1cccc(C(=O)[O-])c1CN1CCCN(C(N)=O)CC1 ZINC001607305394 1170425409 /nfs/dbraw/zinc/42/54/09/1170425409.db2.gz OZWIIJNISCUIHY-UHFFFAOYSA-N -1 1 307.350 0.980 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2cc(CN(C)C)ccn2)C[C@@H](C(=O)[O-])O1 ZINC001607433615 1170452099 /nfs/dbraw/zinc/45/20/99/1170452099.db2.gz NAXASZBPIQQTFZ-PWSUYJOCSA-N -1 1 322.365 0.849 20 0 DCADMM C[C@@H]1CN(Cc2cn(C[C@H]3CCOC3)nn2)C[C@H]1CC(=O)[O-] ZINC001607438956 1170453896 /nfs/dbraw/zinc/45/38/96/1170453896.db2.gz LRFXJOFNMYXBHQ-JHJVBQTASA-N -1 1 308.382 0.857 20 0 DCADMM Cc1[nH]c(C(=O)CN[C@H](CO)[C@H]2CCCOC2)c(C)c1C(=O)[O-] ZINC001607485854 1170466164 /nfs/dbraw/zinc/46/61/64/1170466164.db2.gz ALWDIPKWDPVXER-NWDGAFQWSA-N -1 1 324.377 0.890 20 0 DCADMM Cc1cc(C(=O)N[C@@H](CO)CN2CCCCC2)oc1C(=O)[O-] ZINC001607575797 1170478451 /nfs/dbraw/zinc/47/84/51/1170478451.db2.gz LRZYHHMICLQNNB-LLVKDONJSA-N -1 1 310.350 0.863 20 0 DCADMM Cc1cc(C(=O)NC[C@@H](C)N2CCN(C)CC2)oc1C(=O)[O-] ZINC001607578273 1170479730 /nfs/dbraw/zinc/47/97/30/1170479730.db2.gz VAZNPWYLBLGUJE-LLVKDONJSA-N -1 1 309.366 0.652 20 0 DCADMM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1C[C@H](C)NC[C@H]1C ZINC001607596149 1170481772 /nfs/dbraw/zinc/48/17/72/1170481772.db2.gz ZLWIAVFOPNBVME-WDEREUQCSA-N -1 1 319.361 0.841 20 0 DCADMM Cc1cc(C(=O)[O-])nc(NC[C@@]2(CO)COC[C@@H]3CCCN32)n1 ZINC001607600025 1170482086 /nfs/dbraw/zinc/48/20/86/1170482086.db2.gz DYTSUQHDKUEWBR-XHDPSFHLSA-N -1 1 322.365 0.121 20 0 DCADMM Cc1ccc2[nH]cc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c(=O)c2c1 ZINC001607833642 1170510888 /nfs/dbraw/zinc/51/08/88/1170510888.db2.gz SPYIRUWJZKRDHJ-PELKAZGASA-N -1 1 304.302 0.400 20 0 DCADMM Cc1cccc(C[C@@H](CNC(=O)C[C@@H]2COCCN2)C(=O)[O-])c1 ZINC001607848855 1170512997 /nfs/dbraw/zinc/51/29/97/1170512997.db2.gz SDKBXGIMNVTORX-LSDHHAIUSA-N -1 1 320.389 0.733 20 0 DCADMM Cc1n[nH]c(C)c1CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001607935874 1170527763 /nfs/dbraw/zinc/52/77/63/1170527763.db2.gz QTAQNWCMASMEMA-SNVBAGLBSA-N -1 1 308.382 0.576 20 0 DCADMM Cc1[nH]ncc1CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001607939446 1170529572 /nfs/dbraw/zinc/52/95/72/1170529572.db2.gz OATAXPURGZHQNT-UHFFFAOYSA-N -1 1 320.280 0.810 20 0 DCADMM Cc1[nH]nc(S(=O)(=O)N[C@H]2CCCC2(F)F)c1C(=O)[O-] ZINC001607939247 1170529667 /nfs/dbraw/zinc/52/96/67/1170529667.db2.gz AROGJKMLLZUFRH-LURJTMIESA-N -1 1 309.294 0.882 20 0 DCADMM Cc1nccnc1CN1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001607990583 1170541903 /nfs/dbraw/zinc/54/19/03/1170541903.db2.gz COFBVCJWYUICBM-UHFFFAOYSA-N -1 1 302.338 0.912 20 0 DCADMM Cc1ncccc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001607988946 1170542059 /nfs/dbraw/zinc/54/20/59/1170542059.db2.gz PBLVCEMMWAVXAU-IHVVCDCBSA-N -1 1 300.318 0.938 20 0 DCADMM Cc1nn(C)c(C)c1CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001607998251 1170543637 /nfs/dbraw/zinc/54/36/37/1170543637.db2.gz FJWKRHAJTRAROB-NSHDSACASA-N -1 1 304.354 0.774 20 0 DCADMM Cc1nnsc1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001608019234 1170550581 /nfs/dbraw/zinc/55/05/81/1170550581.db2.gz WZQLMTAWZYHHJZ-UHFFFAOYSA-N -1 1 320.377 0.480 20 0 DCADMM Cn1cc(N2CC[C@@H](NCc3cc(C(=O)[O-])n(C)c3)C2=O)cn1 ZINC001608117222 1170580066 /nfs/dbraw/zinc/58/00/66/1170580066.db2.gz HCBMGKUVFIQTKL-GFCCVEGCSA-N -1 1 317.349 0.352 20 0 DCADMM NC(=O)c1n[nH]c2ccc(NC(=O)C34CC(C(=O)[O-])(C3)C4)cc21 ZINC001608245404 1170628905 /nfs/dbraw/zinc/62/89/05/1170628905.db2.gz MTDGATCCLQOWMR-UHFFFAOYSA-N -1 1 314.301 0.855 20 0 DCADMM N[C@H](C(=O)NCCn1cc(C(=O)[O-])nn1)c1cccc(Cl)c1 ZINC001608248886 1170630844 /nfs/dbraw/zinc/63/08/44/1170630844.db2.gz RJFQMSWQPKKHBJ-NSHDSACASA-N -1 1 323.740 0.446 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](O)Cc1ccccc1 ZINC001608289933 1170642635 /nfs/dbraw/zinc/64/26/35/1170642635.db2.gz JMEPXHDVVKSAPB-KGLIPLIRSA-N -1 1 317.345 0.515 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H]1CSCCS1 ZINC001608299895 1170645054 /nfs/dbraw/zinc/64/50/54/1170645054.db2.gz QLFZCVNVMWJHIP-ZJUUUORDSA-N -1 1 315.420 0.760 20 0 DCADMM O=C([O-])[C@]1(O)CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001608328055 1170650523 /nfs/dbraw/zinc/65/05/23/1170650523.db2.gz XTNUODQFVIBALS-SKDRFNHKSA-N -1 1 324.299 0.309 20 0 DCADMM O=C([O-])[C@@H]1OCC[C@@H]1NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC001608340570 1170655033 /nfs/dbraw/zinc/65/50/33/1170655033.db2.gz JAYCXCQKZJQAAM-IINYFYTJSA-N -1 1 322.317 0.228 20 0 DCADMM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001608602385 1170713234 /nfs/dbraw/zinc/71/32/34/1170713234.db2.gz SPUGXAJBDMFLPS-NEPJUHHUSA-N -1 1 316.317 0.379 20 0 DCADMM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCN(CCn2cccn2)CC1 ZINC001608612440 1170721578 /nfs/dbraw/zinc/72/15/78/1170721578.db2.gz VXMKMVQTXALQAZ-OLZOCXBDSA-N -1 1 306.366 0.138 20 0 DCADMM O=C([O-])CCN1CC[C@H](N2CCC[C@H](c3ncc[nH]3)C2)C1=O ZINC001608723417 1170744380 /nfs/dbraw/zinc/74/43/80/1170744380.db2.gz OSISRJJCTKTAEG-RYUDHWBXSA-N -1 1 306.366 0.665 20 0 DCADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC001608802725 1170757945 /nfs/dbraw/zinc/75/79/45/1170757945.db2.gz RTCAYDGDALIMAF-OUAUKWLOSA-N -1 1 307.354 0.797 20 0 DCADMM O=C([O-])c1cc(C(=O)N2CCN(CCCCCO)CC2)c[nH]1 ZINC001608836318 1170763946 /nfs/dbraw/zinc/76/39/46/1170763946.db2.gz VHCDFWBWOJMUCH-UHFFFAOYSA-N -1 1 309.366 0.633 20 0 DCADMM O=C([O-])c1cc2n(n1)CCC[C@H]2NCCS(=O)(=O)C1CC1 ZINC001608868039 1170767185 /nfs/dbraw/zinc/76/71/85/1170767185.db2.gz WELCCLNIWRGXTQ-SNVBAGLBSA-N -1 1 313.379 0.583 20 0 DCADMM O=C([O-])c1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)[nH]1 ZINC001608881111 1170768282 /nfs/dbraw/zinc/76/82/82/1170768282.db2.gz GLBPNJGFGKMPTA-UHFFFAOYSA-N -1 1 321.377 0.784 20 0 DCADMM O=C([O-])c1coc(C=CC(=O)N2CCC[C@H](c3nn[nH]n3)C2)c1 ZINC001608987555 1170781213 /nfs/dbraw/zinc/78/12/13/1170781213.db2.gz QVLFWNNRIARRHT-NWALNABHSA-N -1 1 317.305 0.910 20 0 DCADMM C[C@H](C(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001609070153 1170798709 /nfs/dbraw/zinc/79/87/09/1170798709.db2.gz JMSNYMOBJBORNU-QMMMGPOBSA-N -1 1 318.366 0.440 20 0 DCADMM C[C@H](C(=O)N1CCc2ccccc2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001609068115 1170799124 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Cc1n[nH]c(C(=O)N[C@@]2(C)CCN([C@@H](C)C(=O)N(C)C)C2)c1[O-] ZINC001046240101 753580262 /nfs/dbraw/zinc/58/02/62/753580262.db2.gz PZMIIVGEOZPENI-BONVTDFDSA-N -1 1 323.397 0.095 20 0 DCADMM Cn1ncnc1CN1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001046260424 753596919 /nfs/dbraw/zinc/59/69/19/753596919.db2.gz BHFNDKPMDVVMHQ-HNNXBMFYSA-N -1 1 316.365 0.310 20 0 DCADMM Cn1ccnc1CN1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001046261898 753598061 /nfs/dbraw/zinc/59/80/61/753598061.db2.gz HPUMDYPKLWNIIJ-INIZCTEOSA-N -1 1 315.377 0.915 20 0 DCADMM COCCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001071952610 762252621 /nfs/dbraw/zinc/25/26/21/762252621.db2.gz OLRMNOOBNNNXBJ-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2)C1CCC1 ZINC001047006707 754063562 /nfs/dbraw/zinc/06/35/62/754063562.db2.gz WSGZPUASYBHISC-WCQGTBRESA-N -1 1 305.382 0.780 20 0 DCADMM CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(Cc2n[nH]c(=O)[n-]2)C3)CC1 ZINC001047076033 754079975 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DCADMM CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001048722798 754895381 /nfs/dbraw/zinc/89/53/81/754895381.db2.gz UJOONWPPNXRXHZ-AAEUAGOBSA-N -1 1 321.377 0.621 20 0 DCADMM O=C(C=C1CCC1)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001048760783 754920160 /nfs/dbraw/zinc/92/01/60/754920160.db2.gz OVRKOYBKJFDPEH-TXEJJXNPSA-N -1 1 303.366 0.511 20 0 DCADMM CC(C)(O)CC(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062839012 755000245 /nfs/dbraw/zinc/00/02/45/755000245.db2.gz DNMIIPWPPOFBHH-UHFFFAOYSA-N -1 1 321.377 0.717 20 0 DCADMM CC(C)=CC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CCO1 ZINC001065073912 755670635 /nfs/dbraw/zinc/67/06/35/755670635.db2.gz REGVXPAMMXUQSO-LBPRGKRZSA-N -1 1 319.361 0.711 20 0 DCADMM CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC001079652638 755945507 /nfs/dbraw/zinc/94/55/07/755945507.db2.gz AZQNPHUFMMKVIO-LLVKDONJSA-N -1 1 321.377 0.885 20 0 DCADMM C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054370373 756456003 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0.662 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)n1cccc1 ZINC001082478010 757152611 /nfs/dbraw/zinc/15/26/11/757152611.db2.gz HCACEKBKNKZMTR-GRYCIOLGSA-N -1 1 318.381 0.510 20 0 DCADMM O=c1[n-]c2nc(=O)[nH]c(Nc3nccc(-c4cnccn4)n3)c2[nH]1 ZINC001170215981 762568998 /nfs/dbraw/zinc/56/89/98/762568998.db2.gz FFVMEUBCSYCXOE-UHFFFAOYSA-N -1 1 323.276 0.706 20 0 DCADMM Cc1c(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cncc1C(N)=O ZINC001170216876 762569479 /nfs/dbraw/zinc/56/94/79/762569479.db2.gz DPOICYHDCWIBJF-UHFFFAOYSA-N -1 1 301.266 0.262 20 0 DCADMM COc1c(Cl)cnnc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170219037 762570556 /nfs/dbraw/zinc/57/05/56/762570556.db2.gz VCBGLASEFDHVCH-UHFFFAOYSA-N -1 1 309.673 0.911 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1ncccc1[O-] ZINC001057413456 757742782 /nfs/dbraw/zinc/74/27/82/757742782.db2.gz WXEWZBXSYFNVPA-VXGBXAGGSA-N -1 1 321.377 0.384 20 0 DCADMM COC(=O)c1c(OC)ccnc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170222388 762578071 /nfs/dbraw/zinc/57/80/71/762578071.db2.gz BYEAZPAEBBTLCV-UHFFFAOYSA-N -1 1 316.277 0.992 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)C4(C)CCC4)[C@@H]3C2)nc1=O ZINC001084581707 757919063 /nfs/dbraw/zinc/91/90/63/757919063.db2.gz RSOQURNDOMIEDZ-VXGBXAGGSA-N -1 1 319.409 0.331 20 0 DCADMM CCC1(C(=O)N2C[C@H]3CCN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)CC1 ZINC001084637116 757943228 /nfs/dbraw/zinc/94/32/28/757943228.db2.gz GUFGNKJZBREJCD-VXGBXAGGSA-N -1 1 319.409 0.331 20 0 DCADMM C/C=C(/C)C(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2 ZINC001072603093 762601059 /nfs/dbraw/zinc/60/10/59/762601059.db2.gz HJVSSCVZTUYTSS-WCIBSUBMSA-N -1 1 305.382 0.109 20 0 DCADMM C[C@H](F)CCN1CCOC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001050891714 758215137 /nfs/dbraw/zinc/21/51/37/758215137.db2.gz QQLLBMCQYVPWPJ-RYUDHWBXSA-N -1 1 311.357 0.966 20 0 DCADMM O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)c1cscn1 ZINC001085149908 758240315 /nfs/dbraw/zinc/24/03/15/758240315.db2.gz KRJOFZNDIFASCX-RKDXNWHRSA-N -1 1 322.394 0.798 20 0 DCADMM Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(=O)[n-]2)c1 ZINC001085170218 758257572 /nfs/dbraw/zinc/25/75/72/758257572.db2.gz WNACJZAVQBBGIJ-NXEZZACHSA-N -1 1 319.369 0.075 20 0 DCADMM Cc1cn2ccc(C(=O)N3CCOC[C@H]3c3nn[n-]n3)cc2n1 ZINC001170381938 762630640 /nfs/dbraw/zinc/63/06/40/762630640.db2.gz AGHNNGIBNKAOCB-NSHDSACASA-N -1 1 313.321 0.370 20 0 DCADMM Cn1cncc1C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001085261533 758790386 /nfs/dbraw/zinc/79/03/86/758790386.db2.gz RLGPBIQMNMQBAE-NXEZZACHSA-N -1 1 319.369 0.075 20 0 DCADMM Cc1occc1C(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001085476313 758926460 /nfs/dbraw/zinc/92/64/60/758926460.db2.gz WXOXYPRDICDJIZ-LLVKDONJSA-N -1 1 319.365 0.356 20 0 DCADMM C[C@@]1(C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)C=CCC1 ZINC001051773704 758937610 /nfs/dbraw/zinc/93/76/10/758937610.db2.gz RIFJWGKALQLYJU-XHDPSFHLSA-N -1 1 321.381 0.184 20 0 DCADMM CC1(C)CC[C@@H]1C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051776340 758940090 /nfs/dbraw/zinc/94/00/90/758940090.db2.gz ARMBZOKEEZTOAQ-WDEREUQCSA-N -1 1 323.397 0.264 20 0 DCADMM CN(C[C@@H]1CCN1Cc1csnn1)C(=O)c1ncccc1[O-] ZINC001085562013 759060069 /nfs/dbraw/zinc/06/00/69/759060069.db2.gz APLRGKGZHSPLOH-NSHDSACASA-N -1 1 319.390 0.985 20 0 DCADMM CC(=O)Nc1cc(NC(=O)c2c(CO)cnc(C)c2[O-])ncn1 ZINC001147834099 767855479 /nfs/dbraw/zinc/85/54/79/767855479.db2.gz NFPIQUGDCLYSRO-UHFFFAOYSA-N -1 1 317.305 0.589 20 0 DCADMM Cc1ncc(CO)c(C(=O)N2CCC[C@@](F)(CO)CC2)c1[O-] ZINC001147836631 767857003 /nfs/dbraw/zinc/85/70/03/767857003.db2.gz NHVCMZVRAHQQSU-HNNXBMFYSA-N -1 1 312.341 0.915 20 0 DCADMM Cc1cccc2c1C[C@@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)O2 ZINC001148010017 767895511 /nfs/dbraw/zinc/89/55/11/767895511.db2.gz FNPZXDJYAYLBPP-LBPRGKRZSA-N -1 1 317.349 0.028 20 0 DCADMM O=C(N[C@H]1CCN(c2cc(F)ncn2)C1)c1ncccc1[O-] ZINC001058344204 759911954 /nfs/dbraw/zinc/91/19/54/759911954.db2.gz UWGYWVJDGCICLW-VIFPVBQESA-N -1 1 303.297 0.725 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NCc3ccn(C)n3)C2)c1[O-] ZINC001086342468 760062327 /nfs/dbraw/zinc/06/23/27/760062327.db2.gz PNJFNHRWNHCSHV-UMSPYCQHSA-N -1 1 318.381 0.455 20 0 DCADMM C[C@@H](CNc1ccc2nccnc2n1)NC(=O)c1ncccc1[O-] ZINC001108323566 760399788 /nfs/dbraw/zinc/39/97/88/760399788.db2.gz RMQPXFJVDMJNLQ-JTQLQIEISA-N -1 1 324.344 0.729 20 0 DCADMM C[C@H](CN(C)c1cnc(F)cn1)NC(=O)c1ncccc1[O-] ZINC001108932560 761153812 /nfs/dbraw/zinc/15/38/12/761153812.db2.gz BHFNAUNSDVDJQA-SECBINFHSA-N -1 1 305.313 0.971 20 0 DCADMM CC/C=C(\C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001109015729 761201911 /nfs/dbraw/zinc/20/19/11/761201911.db2.gz FTCJLAUVRDPEFE-JNXVQGADSA-N -1 1 319.409 0.686 20 0 DCADMM O=C(Cc1c[nH]c2ccccc12)NCCNCc1n[nH]c(=O)[n-]1 ZINC001148840886 768042032 /nfs/dbraw/zinc/04/20/32/768042032.db2.gz IJXGOYYPGRIWCH-UHFFFAOYSA-N -1 1 314.349 0.440 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CCn2cncc2C1 ZINC001123810433 768060178 /nfs/dbraw/zinc/06/01/78/768060178.db2.gz JDGUMNLHYUYKJO-MRVPVSSYSA-N -1 1 305.363 0.721 20 0 DCADMM C[C@H]1CC[C@@H](NC(=O)C2CCCC2)CN1Cc1nc(=O)n(C)[n-]1 ZINC001071294417 761766928 /nfs/dbraw/zinc/76/69/28/761766928.db2.gz SAPMVHHTWCSQMQ-WCQYABFASA-N -1 1 321.425 0.768 20 0 DCADMM C[C@@H]1CC[C@H](NC(=O)CC2CCC2)CN1Cc1nc(=O)n(C)[n-]1 ZINC001071399871 761822154 /nfs/dbraw/zinc/82/21/54/761822154.db2.gz ZRMOOMNFCUCNPH-YPMHNXCESA-N -1 1 321.425 0.768 20 0 DCADMM C[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1Cc1cnon1 ZINC001071454478 761871863 /nfs/dbraw/zinc/87/18/63/761871863.db2.gz MGDOXRPULKQZKW-WDEREUQCSA-N -1 1 317.349 0.953 20 0 DCADMM CS(=O)(=O)CC1(C(=O)Nc2cc(F)cc(F)c2[O-])COC1 ZINC001123901203 768075198 /nfs/dbraw/zinc/07/51/98/768075198.db2.gz CSJXCRIIICLMRM-UHFFFAOYSA-N -1 1 321.301 0.670 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001123937951 768083755 /nfs/dbraw/zinc/08/37/55/768083755.db2.gz JOYKUNOOEFNIBG-BOYPTNNESA-N -1 1 307.375 0.933 20 0 DCADMM 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/nfs/dbraw/zinc/62/85/08/963628508.db2.gz RUDUCFRBNMTVMR-UHFFFAOYSA-N -1 1 320.353 0.557 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)CCCN(C)CC(=O)N2CCC2)c1[O-] ZINC001380952742 963713835 /nfs/dbraw/zinc/71/38/35/963713835.db2.gz USVRWDXEIRCUKB-UHFFFAOYSA-N -1 1 323.397 0.050 20 0 DCADMM C[C@H](Oc1ccccc1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000314187309 963722947 /nfs/dbraw/zinc/72/29/47/963722947.db2.gz YBCNZHKYHFJHKI-GXFFZTMASA-N -1 1 303.318 0.989 20 0 DCADMM CN(Cc1ccccc1C(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000314704943 963795303 /nfs/dbraw/zinc/79/53/03/963795303.db2.gz DUBNFAJBBADTBH-GFCCVEGCSA-N -1 1 312.391 0.851 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC001381133231 963836000 /nfs/dbraw/zinc/83/60/00/963836000.db2.gz OFGHMWJBRHIFLX-VXGBXAGGSA-N -1 1 323.441 0.871 20 0 DCADMM CCc1cccnc1C(=O)N[C@@H](C)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001368871520 964070511 /nfs/dbraw/zinc/07/05/11/964070511.db2.gz PYQIKMHCRCNPNE-UWVGGRQHSA-N -1 1 318.381 0.764 20 0 DCADMM CCc1cccnc1C(=O)N[C@H](C)[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001368871516 964073024 /nfs/dbraw/zinc/07/30/24/964073024.db2.gz PYQIKMHCRCNPNE-NXEZZACHSA-N -1 1 318.381 0.764 20 0 DCADMM COc1ccc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)o1 ZINC001375263283 964185819 /nfs/dbraw/zinc/18/58/19/964185819.db2.gz DHZFGCYJRODXHR-VIFPVBQESA-N -1 1 321.337 0.410 20 0 DCADMM CC(C)[C@@H](F)C(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001375462391 964432248 /nfs/dbraw/zinc/43/22/48/964432248.db2.gz RQBVLNXLSMDLKW-ZYHUDNBSSA-N -1 1 313.377 0.135 20 0 DCADMM C[C@@H](CNC(=O)COCC1CC1)CNC(=O)c1ncccc1[O-] ZINC001375614993 964610978 /nfs/dbraw/zinc/61/09/78/964610978.db2.gz KISIEKAKFIVYFV-NSHDSACASA-N -1 1 321.377 0.696 20 0 DCADMM CC[C@@H](CNC(=O)c1occ2c1CCC2)NCc1n[nH]c(=O)[n-]1 ZINC001373781767 964620735 /nfs/dbraw/zinc/62/07/35/964620735.db2.gz FVFPDKJBXLTVMZ-JTQLQIEISA-N -1 1 319.365 0.890 20 0 DCADMM CCN(CCNC(=O)c1ocnc1C)C(=O)c1ncccc1[O-] ZINC001373782362 964624065 /nfs/dbraw/zinc/62/40/65/964624065.db2.gz KCBIHWLBXZMVLO-UHFFFAOYSA-N -1 1 318.333 0.976 20 0 DCADMM CC(C)[C@H](C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001375660132 964677143 /nfs/dbraw/zinc/67/71/43/964677143.db2.gz GRAZNNRCFMJYLZ-TUAOUCFPSA-N -1 1 309.414 0.480 20 0 DCADMM Cc1nc(C(=O)N(C)C[C@H](C)NCc2n[nH]c(=O)[n-]2)sc1C ZINC001369376782 964851454 /nfs/dbraw/zinc/85/14/54/964851454.db2.gz WSZATYPTQBXQMY-ZETCQYMHSA-N -1 1 324.410 0.834 20 0 DCADMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCOCC1)c1ccoc1 ZINC001375966132 965022934 /nfs/dbraw/zinc/02/29/34/965022934.db2.gz ZTCPNALLSXBCMB-UHFFFAOYSA-N -1 1 321.337 0.172 20 0 DCADMM Cc1cc(CNC[C@H](C)N(C)C(=O)c2n[nH]c(C)c2[O-])nn1C ZINC001374217786 965148063 /nfs/dbraw/zinc/14/80/63/965148063.db2.gz JJINHAQHYVVWCW-JTQLQIEISA-N -1 1 320.397 0.716 20 0 DCADMM CO[C@@H](C)CC(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001369544486 965155427 /nfs/dbraw/zinc/15/54/27/965155427.db2.gz QNAZASGNHKHQHV-UWVGGRQHSA-N -1 1 313.402 0.556 20 0 DCADMM CCCc1nc(C(=O)N(C)[C@@H](C)CNCc2n[nH]c(=O)[n-]2)co1 ZINC001374315073 965270289 /nfs/dbraw/zinc/27/02/89/965270289.db2.gz VEJPXNDICVSKMX-VIFPVBQESA-N -1 1 322.369 0.701 20 0 DCADMM COCC(=O)N[C@@H](C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001374336548 965293675 /nfs/dbraw/zinc/29/36/75/965293675.db2.gz IXJNJDHRWPKJMC-NSHDSACASA-N -1 1 321.377 0.791 20 0 DCADMM O=C(CC(F)(F)F)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001376201281 965367040 /nfs/dbraw/zinc/36/70/40/965367040.db2.gz KYXOLXLQMJOGNP-SSDOTTSWSA-N -1 1 307.276 0.447 20 0 DCADMM O=C(NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1)c1ccccn1 ZINC001370131801 965805686 /nfs/dbraw/zinc/80/56/86/965805686.db2.gz SFGPEBWJMLOMPY-LLVKDONJSA-N -1 1 302.338 0.204 20 0 DCADMM CCC(C)(CC)C(=O)NC[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001376592771 965867541 /nfs/dbraw/zinc/86/75/41/965867541.db2.gz UYKCOLWNERJMFK-NSHDSACASA-N -1 1 323.393 0.820 20 0 DCADMM CCC(C)(CC)C(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001376592769 965867618 /nfs/dbraw/zinc/86/76/18/965867618.db2.gz 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968341104 /nfs/dbraw/zinc/34/11/04/968341104.db2.gz VZINCKHEAHNREE-SECBINFHSA-N -1 1 304.306 0.632 20 0 DCADMM Cc1cc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])ncn1 ZINC001372826269 968427733 /nfs/dbraw/zinc/42/77/33/968427733.db2.gz UADWUQHCDIIWBF-SNVBAGLBSA-N -1 1 315.333 0.434 20 0 DCADMM COc1ccc(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])o1 ZINC001372834983 968438756 /nfs/dbraw/zinc/43/87/56/968438756.db2.gz MVFZHVWCGBEBCL-VIFPVBQESA-N -1 1 319.317 0.937 20 0 DCADMM COCCC(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001373227956 968826753 /nfs/dbraw/zinc/82/67/53/968826753.db2.gz LPCPYVVSAFBOHV-LBPRGKRZSA-N -1 1 321.377 0.887 20 0 DCADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)CC(C)(C)O ZINC001373261070 968868032 /nfs/dbraw/zinc/86/80/32/968868032.db2.gz MIZQBSJNPZLDDK-SNVBAGLBSA-N -1 1 309.366 0.573 20 0 DCADMM CC(C)[C@@H](O)C(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001373262511 968869111 /nfs/dbraw/zinc/86/91/11/968869111.db2.gz WTTAQSUNPZQNBB-ZWNOBZJWSA-N -1 1 309.366 0.429 20 0 DCADMM 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1 318.333 0.894 20 0 DCADMM CN(C(=O)C[C@@H]1CCCO1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001448578002 1013956528 /nfs/dbraw/zinc/95/65/28/1013956528.db2.gz KBVVZZSZMQEJBY-RYUDHWBXSA-N -1 1 323.397 0.406 20 0 DCADMM O=C([O-])[C@]12COC[C@H]1CN(CN1C(=O)C[C@H]1c1ccccc1)C2 ZINC001606559999 970349366 /nfs/dbraw/zinc/34/93/66/970349366.db2.gz PETVFBZZRHPNST-JKIFEVAISA-N -1 1 316.357 0.951 20 0 DCADMM Cc1noc2nc(C)cc(C(=O)N3CCN(CC(=O)[O-])CC3)c12 ZINC000319603293 970552278 /nfs/dbraw/zinc/55/22/78/970552278.db2.gz MHJUWWDBMYNSIA-UHFFFAOYSA-N -1 1 318.333 0.682 20 0 DCADMM O=C([O-])CN1CCN(C(=O)CCn2cnc3ccccc32)CC1 ZINC000319793510 970571851 /nfs/dbraw/zinc/57/18/51/970571851.db2.gz IHVLWPCMYHNPPW-UHFFFAOYSA-N -1 1 316.361 0.655 20 0 DCADMM COc1ncccc1C(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001448724402 1014013144 /nfs/dbraw/zinc/01/31/44/1014013144.db2.gz VGRZQEABHWCAFL-VIFPVBQESA-N -1 1 320.353 0.164 20 0 DCADMM Cc1ccc([C@H](N)C(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC000320057348 970607644 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CCOC(=O)C1(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)CC1 ZINC001596542412 984387434 /nfs/dbraw/zinc/38/74/34/984387434.db2.gz BJULSFLOQAAABZ-NSHDSACASA-N -1 1 312.366 0.337 20 0 DCADMM CCOC(=O)CCN(C)[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001596610124 984572841 /nfs/dbraw/zinc/57/28/41/984572841.db2.gz GRONOFRUSHPYOH-NSHDSACASA-N -1 1 300.355 0.337 20 0 DCADMM CC(C)OCCC(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001524883439 1015062505 /nfs/dbraw/zinc/06/25/05/1015062505.db2.gz NNMQVTPGKSTBJU-HAQNSBGRSA-N -1 1 321.377 0.979 20 0 DCADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1CC(OC)C1 ZINC001531154072 1015086352 /nfs/dbraw/zinc/08/63/52/1015086352.db2.gz DEQYUTOXQJUNKV-CXQJBGSLSA-N -1 1 321.377 0.837 20 0 DCADMM C[C@H]1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)C[C@@H](C(=O)[O-])O1 ZINC001599923815 985173943 /nfs/dbraw/zinc/17/39/43/985173943.db2.gz CLGZTPMTZHHBQA-FSPLSTOPSA-N -1 1 307.228 0.743 20 0 DCADMM COCCN(CCNC(=O)C1CC1)C(=O)c1ncccc1[O-] ZINC001384398734 985549683 /nfs/dbraw/zinc/54/96/83/985549683.db2.gz ZASIILJRUFCPIC-UHFFFAOYSA-N -1 1 307.350 0.402 20 0 DCADMM C[C@H]1CN(C(=O)c2ncccc2N(C)C)CCN1CCC(=O)[O-] ZINC001594496655 985647622 /nfs/dbraw/zinc/64/76/22/985647622.db2.gz VOKZTJJLZKGWPJ-LBPRGKRZSA-N -1 1 320.393 0.769 20 0 DCADMM CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1O ZINC001596883717 985759333 /nfs/dbraw/zinc/75/93/33/985759333.db2.gz BRSKFIFPYMYJSZ-SECBINFHSA-N -1 1 303.336 0.502 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CCCC(=O)N(C)C ZINC001594514365 985834875 /nfs/dbraw/zinc/83/48/75/985834875.db2.gz GEEAHBZPXDKYGV-LBPRGKRZSA-N -1 1 313.398 0.252 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1ccn(C)n1 ZINC001594518891 985934986 /nfs/dbraw/zinc/93/49/86/985934986.db2.gz FNLCTNVHDMWZFI-LBPRGKRZSA-N -1 1 323.397 0.153 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCOC(F)F ZINC001594518875 985935786 /nfs/dbraw/zinc/93/57/86/985935786.db2.gz FBHFWQKYCWCBJF-SNVBAGLBSA-N -1 1 323.340 0.806 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1cncn1C ZINC001594519354 985951912 /nfs/dbraw/zinc/95/19/12/985951912.db2.gz SKOMCLBXCLKNEF-NSHDSACASA-N -1 1 309.370 0.111 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001594519538 985958762 /nfs/dbraw/zinc/95/87/62/985958762.db2.gz YVNCTXIGIRGPJP-LPWJVIDDSA-N -1 1 311.382 0.497 20 0 DCADMM CCOCCO[C@@H](C)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001596932167 986030271 /nfs/dbraw/zinc/03/02/71/986030271.db2.gz OOTQVPWMIBORGH-OLZOCXBDSA-N -1 1 316.398 0.435 20 0 DCADMM CC(=O)c1cncc(C(=O)O[C@H]2CN(C)[C@@](C)(C(=O)[O-])C2)c1 ZINC001589322819 986138042 /nfs/dbraw/zinc/13/80/42/986138042.db2.gz OYWOTDMFKSQJHX-IUODEOHRSA-N -1 1 306.318 0.988 20 0 DCADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@@H](O)CC(C)(C)C1 ZINC001589350692 986311687 /nfs/dbraw/zinc/31/16/87/986311687.db2.gz RQMWXEACCGRWJI-YPMHNXCESA-N -1 1 312.410 0.791 20 0 DCADMM C[C@@H](C(=O)NC1CC1)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001589391241 986509013 /nfs/dbraw/zinc/50/90/13/986509013.db2.gz NQMFNICCDBSEPC-VIFPVBQESA-N -1 1 307.354 0.280 20 0 DCADMM Cn1nccc1[C@H]1CCCN(c2nnc(-c3nnn[n-]3)n2C)C1 ZINC001526198711 1015230980 /nfs/dbraw/zinc/23/09/80/1015230980.db2.gz VHGKSLCQBXLZLN-VIFPVBQESA-N -1 1 314.357 0.113 20 0 DCADMM Cn1nccc1[C@H]1CCCN(c2nnc(-c3nn[n-]n3)n2C)C1 ZINC001526198711 1015230987 /nfs/dbraw/zinc/23/09/87/1015230987.db2.gz VHGKSLCQBXLZLN-VIFPVBQESA-N -1 1 314.357 0.113 20 0 DCADMM C[C@H](C(=O)NCCc1ccccc1)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001589409282 986601987 /nfs/dbraw/zinc/60/19/87/986601987.db2.gz ARCHFGJIHQXKJW-BPLDGKMQSA-N -1 1 320.389 0.501 20 0 DCADMM C[C@H](C(=O)NCc1ccccc1)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001589414578 986635473 /nfs/dbraw/zinc/63/54/73/986635473.db2.gz DOFKVNNOUSHMSM-BNOWGMLFSA-N -1 1 306.362 0.459 20 0 DCADMM O=C(NC[C@@H](NC(=O)c1ncccc1[O-])C1CC1)c1ccon1 ZINC001385881657 986655485 /nfs/dbraw/zinc/65/54/85/986655485.db2.gz KLJHRNKNLWKDDL-LLVKDONJSA-N -1 1 316.317 0.714 20 0 DCADMM C[C@@H]1OCC[C@@]1(C)NCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001594641620 986795771 /nfs/dbraw/zinc/79/57/71/986795771.db2.gz YXUJXXPBUJBPHP-ISVAXAHUSA-N -1 1 313.379 0.866 20 0 DCADMM Cc1ncc(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])[nH]1 ZINC001386200989 986948004 /nfs/dbraw/zinc/94/80/04/986948004.db2.gz VEJPJHWIGHPKSC-QMMMGPOBSA-N -1 1 303.322 0.367 20 0 DCADMM CCOc1cccc(CNC(=O)CN2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001597156083 986957988 /nfs/dbraw/zinc/95/79/88/986957988.db2.gz WMXCXSNIBBJCFQ-INIZCTEOSA-N -1 1 322.361 0.223 20 0 DCADMM CCO[C@H](C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-])C1CC1 ZINC001386234666 986982753 /nfs/dbraw/zinc/98/27/53/986982753.db2.gz DTQANAMULZMJSA-HZMBPMFUSA-N -1 1 321.377 0.837 20 0 DCADMM Cc1ncc(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])[nH]1 ZINC001532146469 1015284920 /nfs/dbraw/zinc/28/49/20/1015284920.db2.gz ARMXUDXOMUNLSN-VIFPVBQESA-N -1 1 317.349 0.615 20 0 DCADMM C[C@H](CCNC(=O)c1csnn1)NC(=O)c1ncccc1[O-] ZINC001386735393 987352007 /nfs/dbraw/zinc/35/20/07/987352007.db2.gz ZYOVQYKTAQNMLF-MRVPVSSYSA-N -1 1 321.362 0.577 20 0 DCADMM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@@H]1CNCCO1)c1ccccc1 ZINC001589592095 987399856 /nfs/dbraw/zinc/39/98/56/987399856.db2.gz PVPCGCVZXIPIGY-STQMWFEESA-N -1 1 306.362 0.943 20 0 DCADMM CCn1ccnc1C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001386875505 987472469 /nfs/dbraw/zinc/47/24/69/987472469.db2.gz RRAWIAWEFHZVSO-UHFFFAOYSA-N -1 1 317.349 0.506 20 0 DCADMM C[C@@H](CNC(=O)c1csc(=O)[nH]1)NC(=O)c1ncccc1[O-] ZINC001387043403 987588924 /nfs/dbraw/zinc/58/89/24/987588924.db2.gz QNZPJTCABJONBS-ZETCQYMHSA-N -1 1 322.346 0.498 20 0 DCADMM CC(C)(C(=O)[O-])n1cc(NC(=O)N2CC[N@H+]3CC[C@H]2C3)cn1 ZINC001589673860 987680499 /nfs/dbraw/zinc/68/04/99/987680499.db2.gz XGTKESCPQIPMRG-NSHDSACASA-N -1 1 307.354 0.625 20 0 DCADMM O=C(NC[C@@H]1CCN1C(=O)c1ncccc1[O-])c1ccc[nH]1 ZINC001387187301 987691351 /nfs/dbraw/zinc/69/13/51/987691351.db2.gz HGHPXVWNKHSGCO-JTQLQIEISA-N -1 1 300.318 0.760 20 0 DCADMM CN(C(=O)CCc1nc(-c2ccccn2)no1)c1nn[n-]n1 ZINC001532474590 1015349998 /nfs/dbraw/zinc/34/99/98/1015349998.db2.gz QFUQFSAXSWQDSJ-UHFFFAOYSA-N -1 1 300.282 0.240 20 0 DCADMM CC[C@@H](OC)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001387652463 987977462 /nfs/dbraw/zinc/97/74/62/987977462.db2.gz BUXVASKLRRVWOV-WCQYABFASA-N -1 1 321.377 0.933 20 0 DCADMM Cc1cnc2nc(C(=O)[N-]c3nc4ccc(F)cn4n3)nn2c1 ZINC001532568112 1015363131 /nfs/dbraw/zinc/36/31/31/1015363131.db2.gz OKVKPQDNDHUOLU-UHFFFAOYSA-N -1 1 312.268 0.867 20 0 DCADMM CC(C)(C)N(CC(N)=O)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001589796350 988195816 /nfs/dbraw/zinc/19/58/16/988195816.db2.gz QDBBALYSMDNRDD-GFCCVEGCSA-N -1 1 324.377 0.710 20 0 DCADMM CSCc1n[nH]c(CNC(=O)c2ccc(C(=O)[O-])n2C)n1 ZINC001599804733 988236120 /nfs/dbraw/zinc/23/61/20/988236120.db2.gz AZPVYXOFGZKHLZ-UHFFFAOYSA-N -1 1 309.351 0.634 20 0 DCADMM CSCc1nnc(CNC(=O)c2ccc(C(=O)[O-])n2C)[nH]1 ZINC001599804733 988236124 /nfs/dbraw/zinc/23/61/24/988236124.db2.gz AZPVYXOFGZKHLZ-UHFFFAOYSA-N -1 1 309.351 0.634 20 0 DCADMM CC(C)(C)N1CC[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001589813768 988238982 /nfs/dbraw/zinc/23/89/82/988238982.db2.gz BFDYKCOIVDBJAA-QMMMGPOBSA-N -1 1 316.383 0.259 20 0 DCADMM CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001589814144 988244132 /nfs/dbraw/zinc/24/41/32/988244132.db2.gz DGGTWAHLXVAQON-RYUDHWBXSA-N -1 1 323.393 0.265 20 0 DCADMM CC(C)(C)N1CC[C@@H]1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001589816540 988260982 /nfs/dbraw/zinc/26/09/82/988260982.db2.gz XTHNAFGLSBEMRV-LLVKDONJSA-N -1 1 307.354 0.232 20 0 DCADMM CC[C@H](OC)C(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001388622273 988451407 /nfs/dbraw/zinc/45/14/07/988451407.db2.gz IWMNCOWUZINZQA-ZDUSSCGKSA-N -1 1 321.377 0.933 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C(C)C)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001388772066 988579746 /nfs/dbraw/zinc/57/97/46/988579746.db2.gz FWUWRKYXRBDLKM-RWMBFGLXSA-N -1 1 323.441 0.870 20 0 DCADMM O=C(NC[C@H](O)CNC(=O)C1CC2(CC2)C1)c1ncccc1[O-] ZINC001389079044 988800828 /nfs/dbraw/zinc/80/08/28/988800828.db2.gz BHVCFALGMYFZSK-LLVKDONJSA-N -1 1 319.361 0.184 20 0 DCADMM CCc1nn(C)cc1C[N@H+]1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001597722759 989001026 /nfs/dbraw/zinc/00/10/26/989001026.db2.gz ILOMXCCGWRUNJS-YWFMTQBDSA-N -1 1 321.377 0.980 20 0 DCADMM CCc1noc(CCCC(=O)N2CCN(CC(=O)[O-])CC2)n1 ZINC001597748368 989130772 /nfs/dbraw/zinc/13/07/72/989130772.db2.gz IPLVJFXSERBGTO-UHFFFAOYSA-N -1 1 310.354 0.184 20 0 DCADMM CCc1oc(C(=O)[O-])cc1CN1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC001597763563 989206085 /nfs/dbraw/zinc/20/60/85/989206085.db2.gz YZAXQFKRJPMPCC-WDEREUQCSA-N -1 1 311.334 0.896 20 0 DCADMM C[C@@H]1CN(CC(=O)Nc2ccccc2C(N)=O)C[C@H]1CC(=O)[O-] ZINC001599866059 989259832 /nfs/dbraw/zinc/25/98/32/989259832.db2.gz SVIGPJDHMFXGLO-GHMZBOCLSA-N -1 1 319.361 0.767 20 0 DCADMM C[C@@H]1C[C@H](C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)CO1 ZINC001389811990 989603263 /nfs/dbraw/zinc/60/32/63/989603263.db2.gz FTNYEEYEYYDVIF-MNOVXSKESA-N -1 1 319.361 0.591 20 0 DCADMM O=C(C[C@H]1CCOC1)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001389812874 989603596 /nfs/dbraw/zinc/60/35/96/989603596.db2.gz JDZKKVRDJDTYNS-LLVKDONJSA-N -1 1 319.361 0.592 20 0 DCADMM O=C(NC1(CNC(=O)c2ncccc2[O-])CC1)c1cn[nH]c1 ZINC001389829880 989618135 /nfs/dbraw/zinc/61/81/35/989618135.db2.gz RGRDBTMYHKTHKO-UHFFFAOYSA-N -1 1 301.306 0.203 20 0 DCADMM CC[C@H](CNC(=O)COC)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001390165992 989884884 /nfs/dbraw/zinc/88/48/84/989884884.db2.gz VGCVBGZTWMTEDB-SNVBAGLBSA-N -1 1 322.365 0.331 20 0 DCADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccco1)NCc1n[nH]c(=O)[n-]1 ZINC001390489442 990142974 /nfs/dbraw/zinc/14/29/74/990142974.db2.gz BMINAIFZSRXCER-VHSXEESVSA-N -1 1 307.354 0.576 20 0 DCADMM CC(C)c1nc(C(=O)NC[C@H](C)NCc2n[nH]c(=O)[n-]2)cs1 ZINC001390497679 990151909 /nfs/dbraw/zinc/15/19/09/990151909.db2.gz ZAPHGWZRERNYST-QMMMGPOBSA-N -1 1 324.410 0.998 20 0 DCADMM CCN(CCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)Cc1nc(=O)n(C)[n-]1 ZINC001390924567 990480207 /nfs/dbraw/zinc/48/02/07/990480207.db2.gz MSDVTRDROGAXAQ-XQQFMLRXSA-N -1 1 321.425 0.483 20 0 DCADMM CC(C)(CNS(=O)(=O)c1cc(C(=O)[O-])no1)OCC1CC1 ZINC001590766145 990569847 /nfs/dbraw/zinc/56/98/47/990569847.db2.gz IXWIMHOJQSXWPH-UHFFFAOYSA-N -1 1 318.351 0.856 20 0 DCADMM CC(C)(CS(=O)(=O)NC1(c2nnc[nH]2)CCC1)C(=O)[O-] ZINC001590804569 990640153 /nfs/dbraw/zinc/64/01/53/990640153.db2.gz XVYRRMINGDCRSD-UHFFFAOYSA-N -1 1 302.356 0.214 20 0 DCADMM CC[C@@H](C)[C@H](C)C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC001391180296 990645886 /nfs/dbraw/zinc/64/58/86/990645886.db2.gz BUASMLZJWJBPAW-NEPJUHHUSA-N -1 1 323.441 0.871 20 0 DCADMM CN(C)C(=O)c1cccc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])c1 ZINC001598157667 990655708 /nfs/dbraw/zinc/65/57/08/990655708.db2.gz TXWJLVJDNVDYFM-UHFFFAOYSA-N -1 1 308.334 0.750 20 0 DCADMM C[C@](CNCc1n[nH]c(=O)[n-]1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001391790313 991185470 /nfs/dbraw/zinc/18/54/70/991185470.db2.gz MZRYLAMKZLMRRW-CQSZACIVSA-N -1 1 323.397 0.190 20 0 DCADMM CN(CCN(C)C(=O)c1ncccc1[O-])C(=O)c1cnco1 ZINC001391807183 991194955 /nfs/dbraw/zinc/19/49/55/991194955.db2.gz LGLLVGBTBPLMRK-UHFFFAOYSA-N -1 1 304.306 0.619 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@@H](C)n1cccc1 ZINC001392060931 991450258 /nfs/dbraw/zinc/45/02/58/991450258.db2.gz HGBLDGKADDENSW-GHMZBOCLSA-N -1 1 306.370 0.510 20 0 DCADMM COCc1ccc(C(=O)N(C)[C@@H](C)CNCc2n[nH]c(=O)[n-]2)o1 ZINC001392079433 991472775 /nfs/dbraw/zinc/47/27/75/991472775.db2.gz AJCWHIYYSUTXGP-VIFPVBQESA-N -1 1 323.353 0.500 20 0 DCADMM CN(CC(=O)N[C@H](C(=O)[O-])c1ccccn1)[C@@H]1CCSC1 ZINC001598384893 991599421 /nfs/dbraw/zinc/59/94/21/991599421.db2.gz MJYQSAFVOVPZCM-MFKMUULPSA-N -1 1 309.391 0.761 20 0 DCADMM Cc1cc[nH]c1C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)C(C)C ZINC001392210214 991613228 /nfs/dbraw/zinc/61/32/28/991613228.db2.gz KMNBKGGBFDYBPT-JTQLQIEISA-N -1 1 306.370 0.691 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)CCN(C)CCN2CCCC2=O)c1[O-] ZINC001392272974 991682332 /nfs/dbraw/zinc/68/23/32/991682332.db2.gz XZDMQTRIIZMVGJ-UHFFFAOYSA-N -1 1 323.397 0.050 20 0 DCADMM CN(CCN(C)C(=O)c1ncccc1[O-])Cc1nncn1C ZINC001392275462 991684887 /nfs/dbraw/zinc/68/48/87/991684887.db2.gz VPTFSQODPRMPLB-UHFFFAOYSA-N -1 1 304.354 0.120 20 0 DCADMM CS(=O)(=O)CCCN1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001599750693 991987140 /nfs/dbraw/zinc/98/71/40/991987140.db2.gz CJBPYMZZFFMYOP-AWEZNQCLSA-N -1 1 319.423 0.503 20 0 DCADMM Cc1ccc([C@@H](C)C(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)o1 ZINC001392515322 992032869 /nfs/dbraw/zinc/03/28/69/992032869.db2.gz VMGINNBAQSYQNX-PSASIEDQSA-N -1 1 307.354 0.810 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C(C)(C)C(F)(F)F ZINC001392523262 992042421 /nfs/dbraw/zinc/04/24/21/992042421.db2.gz BUJYAJGREZXPAM-ZCFIWIBFSA-N -1 1 309.292 0.693 20 0 DCADMM CN(CCCC(=O)[O-])S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC001598475207 992071484 /nfs/dbraw/zinc/07/14/84/992071484.db2.gz SXKPBSSXXFWXTB-ZDUSSCGKSA-N -1 1 304.412 0.599 20 0 DCADMM CCc1oncc1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001392775697 992381211 /nfs/dbraw/zinc/38/12/11/992381211.db2.gz YMINVBWFMLPYKO-VIFPVBQESA-N -1 1 318.333 0.886 20 0 DCADMM 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DCADMM CC(C)C[C@H](C)CN1CC(N(C)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001421067531 1003287501 /nfs/dbraw/zinc/28/75/01/1003287501.db2.gz OSFBHEYXDCFRSL-JTQLQIEISA-N -1 1 323.397 0.721 20 0 DCADMM Cc1ncc(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C(C)C)n1C ZINC001406043748 1003294962 /nfs/dbraw/zinc/29/49/62/1003294962.db2.gz OHKGRTPFUGSTRM-JTQLQIEISA-N -1 1 321.385 0.096 20 0 DCADMM Cc1conc1CNC[C@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001425991264 1003319916 /nfs/dbraw/zinc/31/99/16/1003319916.db2.gz BDSNPPUSFXQIPK-NSHDSACASA-N -1 1 320.349 0.306 20 0 DCADMM Cn1[n-]c(CN2CC(CNC(=O)C[C@@H]3C[C@H]3C3CC3)C2)nc1=O ZINC001421146710 1003379821 /nfs/dbraw/zinc/37/98/21/1003379821.db2.gz ZZBLSAOTAJTMCQ-STQMWFEESA-N -1 1 319.409 0.093 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H](C)CNCc2cnc(C)cn2)c1[O-] ZINC001406350800 1003628469 /nfs/dbraw/zinc/62/84/69/1003628469.db2.gz SNDJLNNGDLDJCQ-SECBINFHSA-N -1 1 304.354 0.430 20 0 DCADMM CCCCC(=O)N(C)C[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001428159579 1003734426 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CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001407185103 1004455397 /nfs/dbraw/zinc/45/53/97/1004455397.db2.gz BHVPIJDZLDFTRS-NWDGAFQWSA-N -1 1 321.377 0.885 20 0 DCADMM O=C(CCCC1CC1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001407847471 1004897974 /nfs/dbraw/zinc/89/79/74/1004897974.db2.gz HKJOFYTVNUSLOO-GFCCVEGCSA-N -1 1 323.397 0.408 20 0 DCADMM CN(CCC(=O)NC(N)=O)Cc1nc(=O)c2sccc2[n-]1 ZINC001473369461 1016926469 /nfs/dbraw/zinc/92/64/69/1016926469.db2.gz RQWWGLUHWZQCDS-UHFFFAOYSA-N -1 1 309.351 0.414 20 0 DCADMM COCCC(=O)N[C@@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001408157227 1005082049 /nfs/dbraw/zinc/08/20/49/1005082049.db2.gz MLZJRUDNOHDTBG-VIFPVBQESA-N -1 1 322.365 0.331 20 0 DCADMM CO[C@H](CS(=O)(=O)[N-]Cc1nnn(C)n1)c1ccccc1 ZINC001414262026 1005267903 /nfs/dbraw/zinc/26/79/03/1005267903.db2.gz CZFJFQCRFPVNJU-LLVKDONJSA-N -1 1 311.367 0.017 20 0 DCADMM C[C@H](CNC(=O)C[C@@](C)(O)C1CC1)NC(=O)c1ncccc1[O-] ZINC001416801700 1005738210 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CCOC(=O)N[C@H](CNC(=O)CCc1nn[n-]n1)CC(C)C ZINC001417608879 1005850897 /nfs/dbraw/zinc/85/08/97/1005850897.db2.gz NGGPXRUSUHALCX-JTQLQIEISA-N -1 1 312.374 0.409 20 0 DCADMM Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)c2ncccc2[O-])cn1 ZINC001417623336 1005853630 /nfs/dbraw/zinc/85/36/30/1005853630.db2.gz UJEQRJADZATZNV-NSHDSACASA-N -1 1 315.333 0.165 20 0 DCADMM CSc1ncc(C(=O)NCCN2CCO[C@@H](C)C2)c(=O)[n-]1 ZINC001417629713 1005855150 /nfs/dbraw/zinc/85/51/50/1005855150.db2.gz SLDDZRUZSCGKHA-VIFPVBQESA-N -1 1 312.395 0.355 20 0 DCADMM CCCCS(=O)(=O)CC(=O)N[C@@H](CCC)c1nn[n-]n1 ZINC001417662595 1005863002 /nfs/dbraw/zinc/86/30/02/1005863002.db2.gz HIEJKTFUADOZJX-VIFPVBQESA-N -1 1 303.388 0.372 20 0 DCADMM Cc1cc(C[C@H](C)NC(=O)CCCn2c(=O)[n-][nH]c2=O)n[nH]1 ZINC001417679282 1005866310 /nfs/dbraw/zinc/86/63/10/1005866310.db2.gz GRNRBAIXBXCEDN-QMMMGPOBSA-N -1 1 308.342 0.248 20 0 DCADMM Cc1noc(C2CN(C(=O)c3cnc(C4CC4)[n-]c3=O)C2)n1 ZINC001417766943 1005886564 /nfs/dbraw/zinc/88/65/64/1005886564.db2.gz 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ZINC001418213570 1006181727 /nfs/dbraw/zinc/18/17/27/1006181727.db2.gz JGWZJULYYRDYJE-UHFFFAOYSA-N -1 1 324.387 0.995 20 0 DCADMM CN(CCN(C)C(=O)CC(C)(F)F)Cc1nc(=O)n(C)[n-]1 ZINC001438905033 1006215975 /nfs/dbraw/zinc/21/59/75/1006215975.db2.gz SGGAYCMRFFATQM-UHFFFAOYSA-N -1 1 305.329 0.044 20 0 DCADMM C[C@H](CNC(=O)c1cnco1)CNC(=O)c1ncccc1[O-] ZINC001451549900 1006261125 /nfs/dbraw/zinc/26/11/25/1006261125.db2.gz IDLRRXJRYUVBAX-SECBINFHSA-N -1 1 304.306 0.571 20 0 DCADMM CSCC[C@H](NC(=O)CCCN(C)C(=O)[O-])c1nn[nH]n1 ZINC001574096937 1163634487 /nfs/dbraw/zinc/63/44/87/1163634487.db2.gz UZPBAUFSEDDSJC-QMMMGPOBSA-N -1 1 316.387 0.500 20 0 DCADMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001436792900 1006368638 /nfs/dbraw/zinc/36/86/38/1006368638.db2.gz UULIDOHAJFFRHM-CDMKHQONSA-N -1 1 323.397 0.310 20 0 DCADMM CCC[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001451824834 1006437755 /nfs/dbraw/zinc/43/77/55/1006437755.db2.gz KGNKOBXRUWVZER-VXGBXAGGSA-N -1 1 323.393 0.773 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001439152436 1006516726 /nfs/dbraw/zinc/51/67/26/1006516726.db2.gz OGEJEFJBLGYHKR-RKDXNWHRSA-N -1 1 317.340 0.930 20 0 DCADMM Cc1conc1CS(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC001475156699 1017066914 /nfs/dbraw/zinc/06/69/14/1017066914.db2.gz LOSUBAPNJLTYKJ-SSDOTTSWSA-N -1 1 302.274 0.716 20 0 DCADMM Cc1cncc(CCC(=O)NC[C@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001437170382 1006667807 /nfs/dbraw/zinc/66/78/07/1006667807.db2.gz PJOIRKUCJYBGBJ-NSHDSACASA-N -1 1 318.381 0.441 20 0 DCADMM CC(C)C[C@H](NC(=O)c1ccc([O-])cn1)C(=O)N1CCOCC1 ZINC001452240243 1006680014 /nfs/dbraw/zinc/68/00/14/1006680014.db2.gz ZQTFRDAKTXOZNC-AWEZNQCLSA-N -1 1 321.377 0.791 20 0 DCADMM CCOCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001452243997 1006682574 /nfs/dbraw/zinc/68/25/74/1006682574.db2.gz WATXDDPKBMRNIX-VXGBXAGGSA-N -1 1 321.377 0.838 20 0 DCADMM CCn1nc(C)c(C(=O)NC[C@H](C)NCc2n[nH]c(=O)[n-]2)c1C ZINC001437228230 1006735399 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O=C(c1ccc(-c2nn[n-]n2)nc1)N(CCO)Cc1ccccc1 ZINC000738259278 599107891 /nfs/dbraw/zinc/10/78/91/599107891.db2.gz PRSZQWQNCKZWEO-UHFFFAOYSA-N -1 1 324.344 0.896 20 0 DCADMM CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736324050 599136540 /nfs/dbraw/zinc/13/65/40/599136540.db2.gz GMFDDNHSPJPUNZ-RKDXNWHRSA-N -1 1 318.337 0.722 20 0 DCADMM CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736324050 599136542 /nfs/dbraw/zinc/13/65/42/599136542.db2.gz GMFDDNHSPJPUNZ-RKDXNWHRSA-N -1 1 318.337 0.722 20 0 DCADMM Cn1cc([C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC000737604642 599164621 /nfs/dbraw/zinc/16/46/21/599164621.db2.gz IJMCMTWYGWODPZ-NSHDSACASA-N -1 1 324.348 0.625 20 0 DCADMM Cn1cc([C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC000737604642 599164623 /nfs/dbraw/zinc/16/46/23/599164623.db2.gz IJMCMTWYGWODPZ-NSHDSACASA-N -1 1 324.348 0.625 20 0 DCADMM C[C@@]1(C2CC2)NC(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000736736732 599839032 /nfs/dbraw/zinc/83/90/32/599839032.db2.gz CIVUGMKFAZIJKW-NHYWBVRUSA-N -1 1 309.366 0.994 20 0 DCADMM CCNC(=O)c1cccc(NC(=O)CN2CC[C@@H](C(=O)[O-])C2)c1 ZINC000818213467 597536586 /nfs/dbraw/zinc/53/65/86/597536586.db2.gz ILBNXCGOOTYDLU-GFCCVEGCSA-N -1 1 319.361 0.781 20 0 DCADMM O=C([O-])CNC(=O)CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000262160534 597794888 /nfs/dbraw/zinc/79/48/88/597794888.db2.gz BWBWTBZRMGFIGY-UHFFFAOYSA-N -1 1 316.361 0.943 20 0 DCADMM c1csc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC000738453302 598342106 /nfs/dbraw/zinc/34/21/06/598342106.db2.gz WYTKACSNMDINHL-UHFFFAOYSA-N -1 1 315.366 0.440 20 0 DCADMM c1csc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC000738453302 598342108 /nfs/dbraw/zinc/34/21/08/598342108.db2.gz WYTKACSNMDINHL-UHFFFAOYSA-N -1 1 315.366 0.440 20 0 DCADMM OC[C@@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccccc1 ZINC000738391794 598343862 /nfs/dbraw/zinc/34/38/62/598343862.db2.gz ZNIDCJFZTGYEEU-GFCCVEGCSA-N -1 1 311.349 0.920 20 0 DCADMM OC[C@@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccccc1 ZINC000738391794 598343864 /nfs/dbraw/zinc/34/38/64/598343864.db2.gz ZNIDCJFZTGYEEU-GFCCVEGCSA-N -1 1 311.349 0.920 20 0 DCADMM c1cc(CN2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)ccn1 ZINC000738410763 598384425 /nfs/dbraw/zinc/38/44/25/598384425.db2.gz OGPHHYXICTYMRO-UHFFFAOYSA-N -1 1 323.364 0.374 20 0 DCADMM O=C(CNc1cnc(-c2nnn[n-]2)cn1)NCCc1ccccc1 ZINC000737901755 598386871 /nfs/dbraw/zinc/38/68/71/598386871.db2.gz YGQMDKLYJITAAP-UHFFFAOYSA-N -1 1 324.348 0.428 20 0 DCADMM O=C(CNc1cnc(-c2nn[n-]n2)cn1)NCCc1ccccc1 ZINC000737901755 598386873 /nfs/dbraw/zinc/38/68/73/598386873.db2.gz YGQMDKLYJITAAP-UHFFFAOYSA-N -1 1 324.348 0.428 20 0 DCADMM C[C@H](Oc1ccc(F)cc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736172919 598404642 /nfs/dbraw/zinc/40/46/42/598404642.db2.gz DIXQWZFGJJSKDX-ZETCQYMHSA-N -1 1 317.284 0.892 20 0 DCADMM CC(=O)OCCCCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000735496708 598503628 /nfs/dbraw/zinc/50/36/28/598503628.db2.gz IGMZRIKTKCWFKU-UHFFFAOYSA-N -1 1 306.326 0.384 20 0 DCADMM CN(CCN1CCCC1=O)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736799198 598795116 /nfs/dbraw/zinc/79/51/16/598795116.db2.gz PBCJEPWNPXKSBC-UHFFFAOYSA-N -1 1 321.772 0.974 20 0 DCADMM CN(CCN1CCCC1=O)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736799198 598795117 /nfs/dbraw/zinc/79/51/17/598795117.db2.gz PBCJEPWNPXKSBC-UHFFFAOYSA-N -1 1 321.772 0.974 20 0 DCADMM C[C@@H](N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000736099305 598813577 /nfs/dbraw/zinc/81/35/77/598813577.db2.gz UQPJXQICUALPHZ-MRVPVSSYSA-N -1 1 321.385 0.135 20 0 DCADMM CC(C)n1ccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)n1 ZINC000820215091 599315891 /nfs/dbraw/zinc/31/58/91/599315891.db2.gz SMDFNNZJGIQGSX-UHFFFAOYSA-N -1 1 301.314 0.306 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCOc1cccnc1 ZINC000822902965 599316541 /nfs/dbraw/zinc/31/65/41/599316541.db2.gz FUWOYCAPRUJOQS-UHFFFAOYSA-N -1 1 314.309 0.540 20 0 DCADMM CS(=O)(=O)N1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000737166206 599416777 /nfs/dbraw/zinc/41/67/77/599416777.db2.gz OREFLYSVZCNGTI-SECBINFHSA-N -1 1 323.382 0.098 20 0 DCADMM CS(=O)(=O)N1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000737166206 599416780 /nfs/dbraw/zinc/41/67/80/599416780.db2.gz OREFLYSVZCNGTI-SECBINFHSA-N -1 1 323.382 0.098 20 0 DCADMM CC(=O)NC[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000735474111 599419470 /nfs/dbraw/zinc/41/94/70/599419470.db2.gz HAQWLNYRLRWCIJ-LLVKDONJSA-N -1 1 301.354 0.614 20 0 DCADMM CC(=O)NC[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000735474111 599419473 /nfs/dbraw/zinc/41/94/73/599419473.db2.gz HAQWLNYRLRWCIJ-LLVKDONJSA-N -1 1 301.354 0.614 20 0 DCADMM COC(=O)N1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000736934929 599425221 /nfs/dbraw/zinc/42/52/21/599425221.db2.gz FXXGWFDXACEXLA-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM COC(=O)N1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000736934929 599425224 /nfs/dbraw/zinc/42/52/24/599425224.db2.gz FXXGWFDXACEXLA-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM O=C1NCCCC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823547663 599491855 /nfs/dbraw/zinc/49/18/55/599491855.db2.gz MRWVBJYFHLOTKL-GFCCVEGCSA-N -1 1 323.360 0.917 20 0 DCADMM O=C1NCCCC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823547663 599491858 /nfs/dbraw/zinc/49/18/58/599491858.db2.gz MRWVBJYFHLOTKL-GFCCVEGCSA-N -1 1 323.360 0.917 20 0 DCADMM CSC[C@@](C)(O)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737179458 599579235 /nfs/dbraw/zinc/57/92/35/599579235.db2.gz KMMBDMDVXUTPML-LBPRGKRZSA-N -1 1 308.367 0.106 20 0 DCADMM CSC[C@@](C)(O)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737179458 599579236 /nfs/dbraw/zinc/57/92/36/599579236.db2.gz KMMBDMDVXUTPML-LBPRGKRZSA-N -1 1 308.367 0.106 20 0 DCADMM CC(C)n1nnnc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820220691 599661541 /nfs/dbraw/zinc/66/15/41/599661541.db2.gz XFHHTUQQTFEAMS-UHFFFAOYSA-N -1 1 315.297 0.186 20 0 DCADMM CC(C)n1nnnc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820220691 599661542 /nfs/dbraw/zinc/66/15/42/599661542.db2.gz XFHHTUQQTFEAMS-UHFFFAOYSA-N -1 1 315.297 0.186 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H](C(F)(F)F)O1 ZINC000820777559 599687983 /nfs/dbraw/zinc/68/79/83/599687983.db2.gz SEEHQKWZCHHOGY-RNFRBKRXSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H](C(F)(F)F)O1 ZINC000820777559 599687984 /nfs/dbraw/zinc/68/79/84/599687984.db2.gz SEEHQKWZCHHOGY-RNFRBKRXSA-N -1 1 315.259 0.813 20 0 DCADMM COc1ccccc1OCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000378696140 599778224 /nfs/dbraw/zinc/77/82/24/599778224.db2.gz GACDSGKRGGJFOY-NSHDSACASA-N -1 1 319.317 0.609 20 0 DCADMM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CCC(=O)[O-])C1 ZINC000737133413 599791073 /nfs/dbraw/zinc/79/10/73/599791073.db2.gz FLAQTOXGDMCVQN-LLVKDONJSA-N -1 1 300.355 0.195 20 0 DCADMM C[C@H](OC(=O)CCNC(=O)c1n[nH]c2ccccc21)C(=O)[O-] ZINC000736685928 599817429 /nfs/dbraw/zinc/81/74/29/599817429.db2.gz FNTFJZKEFVARJP-QMMMGPOBSA-N -1 1 305.290 0.699 20 0 DCADMM CN(C)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000062966727 599877147 /nfs/dbraw/zinc/87/71/47/599877147.db2.gz YOMXQYWFSQSVQO-VIFPVBQESA-N -1 1 304.393 0.771 20 0 DCADMM CC(C)(NC(=O)CCNC(=O)c1n[nH]c2ccccc21)C(=O)[O-] ZINC000736324397 599961952 /nfs/dbraw/zinc/96/19/52/599961952.db2.gz MCTZMVYISKXUAP-UHFFFAOYSA-N -1 1 318.333 0.662 20 0 DCADMM O=C([O-])C1CCN(C(=O)CN2CCC(n3cccn3)CC2)CC1 ZINC000738545190 599978050 /nfs/dbraw/zinc/97/80/50/599978050.db2.gz LSHLSBLVCDPVPV-UHFFFAOYSA-N -1 1 320.393 0.843 20 0 DCADMM Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)[O-])CC1 ZINC000059078723 600054918 /nfs/dbraw/zinc/05/49/18/600054918.db2.gz IATIQXNVXIOWSA-UHFFFAOYSA-N -1 1 305.378 0.944 20 0 DCADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC(CCO)CC1)C(=O)[O-] ZINC000736880256 600079922 /nfs/dbraw/zinc/07/99/22/600079922.db2.gz VNFXYYRCGAZDTA-RISCZKNCSA-N -1 1 300.399 0.696 20 0 DCADMM CCC[C@@](C)(NCC(=O)Nc1ccccc1C(N)=O)C(=O)[O-] ZINC000386543166 600152299 /nfs/dbraw/zinc/15/22/99/600152299.db2.gz JWWPCXFKGWTUIW-OAHLLOKOSA-N -1 1 307.350 0.957 20 0 DCADMM CCC[C@](C)(NCC(=O)Nc1ccccc1C(N)=O)C(=O)[O-] ZINC000386543165 600152554 /nfs/dbraw/zinc/15/25/54/600152554.db2.gz JWWPCXFKGWTUIW-HNNXBMFYSA-N -1 1 307.350 0.957 20 0 DCADMM C[C@@H](Sc1ccccc1C(=O)NCc1nn[nH]n1)C(=O)[O-] ZINC000736715236 600173497 /nfs/dbraw/zinc/17/34/97/600173497.db2.gz AULPTGVAKSTNSG-SSDOTTSWSA-N -1 1 307.335 0.695 20 0 DCADMM CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000320674683 600276029 /nfs/dbraw/zinc/27/60/29/600276029.db2.gz LVXFZMQCUBRPJN-NSHDSACASA-N -1 1 324.356 0.891 20 0 DCADMM C[C@H](C(=O)NC(=O)NC1CC1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736211837 600305800 /nfs/dbraw/zinc/30/58/00/600305800.db2.gz PIEGCOHNENLADV-KOLCDFICSA-N -1 1 309.366 0.550 20 0 DCADMM C[C@@H](O)C1CCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736675628 600332590 /nfs/dbraw/zinc/33/25/90/600332590.db2.gz KCCUSBSWNGWUEW-NWDGAFQWSA-N -1 1 312.410 0.791 20 0 DCADMM CNC(=O)[C@H](NC(=O)CN(C)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000737535817 600375112 /nfs/dbraw/zinc/37/51/12/600375112.db2.gz QCKGESJBRURNAG-SMDDNHRTSA-N -1 1 321.377 0.242 20 0 DCADMM CN1CCC(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000035296094 600517167 /nfs/dbraw/zinc/51/71/67/600517167.db2.gz FMSQGNUOQZITBR-UHFFFAOYSA-N -1 1 312.391 0.686 20 0 DCADMM O=C([O-])c1sc(N2CCCN(CCO)CC2)nc1Cl ZINC000740278086 600560851 /nfs/dbraw/zinc/56/08/51/600560851.db2.gz BRLZSYONXFJPMS-UHFFFAOYSA-N -1 1 305.787 0.999 20 0 DCADMM CC[C@@](C)(NCC(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-] ZINC000736861671 600563808 /nfs/dbraw/zinc/56/38/08/600563808.db2.gz SGKHGFPRFVTFJZ-CQSZACIVSA-N -1 1 300.355 0.241 20 0 DCADMM CN(CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1)C1CC1 ZINC000061995381 600648902 /nfs/dbraw/zinc/64/89/02/600648902.db2.gz XYMGPPQMMFJPMY-UHFFFAOYSA-N -1 1 312.391 0.686 20 0 DCADMM O=C([O-])c1cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c[n-]1 ZINC000761285956 600730725 /nfs/dbraw/zinc/73/07/25/600730725.db2.gz BJLCYJSLSMRUNI-UHFFFAOYSA-N -1 1 324.362 0.935 20 0 DCADMM Cc1cc(N2CC[C@@H](N3CCC[C@H](C(=O)[O-])C3)C2=O)n(C)n1 ZINC000832890747 600844631 /nfs/dbraw/zinc/84/46/31/600844631.db2.gz 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CYJQXYYHVOZAMB-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826188682 607989095 /nfs/dbraw/zinc/98/90/95/607989095.db2.gz CYJQXYYHVOZAMB-LBPRGKRZSA-N -1 1 313.321 0.811 20 0 DCADMM O=C(CCn1ccnn1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826409789 607996757 /nfs/dbraw/zinc/99/67/57/607996757.db2.gz PDGIICMBEPLRMQ-UHFFFAOYSA-N -1 1 300.282 0.193 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc2nnnn2c1 ZINC000826450939 607999024 /nfs/dbraw/zinc/99/90/24/607999024.db2.gz JHYGLVYUGVWWAK-UHFFFAOYSA-N -1 1 323.276 0.262 20 0 DCADMM Cc1ccsc1CNC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826316017 608014258 /nfs/dbraw/zinc/01/42/58/608014258.db2.gz AYZGVRMKLMIVDT-UHFFFAOYSA-N -1 1 303.351 0.750 20 0 DCADMM Cc1ccsc1CNC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826316017 608014257 /nfs/dbraw/zinc/01/42/57/608014257.db2.gz AYZGVRMKLMIVDT-UHFFFAOYSA-N -1 1 303.351 0.750 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(Cl)cn1 ZINC000826425301 608014753 /nfs/dbraw/zinc/01/47/53/608014753.db2.gz XNFFGWRKENKLNQ-UHFFFAOYSA-N -1 1 304.701 0.750 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(Cl)cn1 ZINC000826425301 608014754 /nfs/dbraw/zinc/01/47/54/608014754.db2.gz XNFFGWRKENKLNQ-UHFFFAOYSA-N -1 1 304.701 0.750 20 0 DCADMM Cn1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)nn1 ZINC000826362582 608077260 /nfs/dbraw/zinc/07/72/60/608077260.db2.gz YZWJNOGBMJABJY-UHFFFAOYSA-N -1 1 308.305 0.358 20 0 DCADMM CCCC[C@@H](CC)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000825261098 608096053 /nfs/dbraw/zinc/09/60/53/608096053.db2.gz UAJACXZDXLVSNR-SNVBAGLBSA-N -1 1 306.370 0.944 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000824883436 608165749 /nfs/dbraw/zinc/16/57/49/608165749.db2.gz GZBVXODDCYGOSP-NXEZZACHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000824883436 608165750 /nfs/dbraw/zinc/16/57/50/608165750.db2.gz GZBVXODDCYGOSP-NXEZZACHSA-N -1 1 302.338 0.807 20 0 DCADMM CN(C)C(=O)NCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000825846377 608211932 /nfs/dbraw/zinc/21/19/32/608211932.db2.gz ZDINFZBILHZYBV-UHFFFAOYSA-N -1 1 316.778 0.660 20 0 DCADMM CN(C)C(=O)NCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000825846377 608211933 /nfs/dbraw/zinc/21/19/33/608211933.db2.gz ZDINFZBILHZYBV-UHFFFAOYSA-N -1 1 316.778 0.660 20 0 DCADMM FC(F)(F)CN1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826367480 608408517 /nfs/dbraw/zinc/40/85/17/608408517.db2.gz AOULGQMSBHACIE-ZETCQYMHSA-N -1 1 314.275 0.705 20 0 DCADMM FC(F)(F)CN1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826367480 608408518 /nfs/dbraw/zinc/40/85/18/608408518.db2.gz AOULGQMSBHACIE-ZETCQYMHSA-N -1 1 314.275 0.705 20 0 DCADMM O=S(=O)(NCc1ccncc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492195 608416223 /nfs/dbraw/zinc/41/62/23/608416223.db2.gz XHTWBNIJFKEFTF-UHFFFAOYSA-N -1 1 317.334 0.135 20 0 DCADMM O=S(=O)(NCc1ccncc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826492195 608416226 /nfs/dbraw/zinc/41/62/26/608416226.db2.gz XHTWBNIJFKEFTF-UHFFFAOYSA-N -1 1 317.334 0.135 20 0 DCADMM c1cn(CC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nn1 ZINC000826524978 608438275 /nfs/dbraw/zinc/43/82/75/608438275.db2.gz QPNWPVHXYVULGG-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM c1cn(CC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nn1 ZINC000826524978 608438277 /nfs/dbraw/zinc/43/82/77/608438277.db2.gz QPNWPVHXYVULGG-UHFFFAOYSA-N -1 1 312.341 0.165 20 0 DCADMM COC(=O)C1CCN(c2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC000826133670 608540592 /nfs/dbraw/zinc/54/05/92/608540592.db2.gz NUZZJUQJMBZFSM-UHFFFAOYSA-N -1 1 302.338 0.960 20 0 DCADMM CC1CC(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824864805 608555966 /nfs/dbraw/zinc/55/59/66/608555966.db2.gz FZEAFXSDRWSEJD-UHFFFAOYSA-N -1 1 318.385 0.609 20 0 DCADMM CC1CC(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824864805 608555968 /nfs/dbraw/zinc/55/59/68/608555968.db2.gz FZEAFXSDRWSEJD-UHFFFAOYSA-N -1 1 318.385 0.609 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CC1CCC1 ZINC000825923875 608556606 /nfs/dbraw/zinc/55/66/06/608556606.db2.gz ZYMLSKSTOPNGRE-UHFFFAOYSA-N -1 1 318.385 0.753 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CC1CCC1 ZINC000825923875 608556608 /nfs/dbraw/zinc/55/66/08/608556608.db2.gz ZYMLSKSTOPNGRE-UHFFFAOYSA-N -1 1 318.385 0.753 20 0 DCADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824051684 608700701 /nfs/dbraw/zinc/70/07/01/608700701.db2.gz BYALIGKLPGRKNU-RKDXNWHRSA-N -1 1 313.383 0.713 20 0 DCADMM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000824051684 608700706 /nfs/dbraw/zinc/70/07/06/608700706.db2.gz BYALIGKLPGRKNU-RKDXNWHRSA-N -1 1 313.383 0.713 20 0 DCADMM Cc1onc(CC(=O)NCC[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826347185 609267433 /nfs/dbraw/zinc/26/74/33/609267433.db2.gz HSYDSNCMNUUYKW-JTQLQIEISA-N -1 1 320.353 0.781 20 0 DCADMM Cc1onc(CC(=O)NCC[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826347185 609267435 /nfs/dbraw/zinc/26/74/35/609267435.db2.gz HSYDSNCMNUUYKW-JTQLQIEISA-N -1 1 320.353 0.781 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826346132 609469722 /nfs/dbraw/zinc/46/97/22/609469722.db2.gz DIGZYMDNMUGUBF-DIYOJNKTSA-N -1 1 320.353 0.778 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826346132 609469724 /nfs/dbraw/zinc/46/97/24/609469724.db2.gz DIGZYMDNMUGUBF-DIYOJNKTSA-N -1 1 320.353 0.778 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)C2CCCCC2)nc1=O ZINC001027728972 660662248 /nfs/dbraw/zinc/66/22/48/660662248.db2.gz LXLDCUSJMKZCHK-ZDUSSCGKSA-N -1 1 321.425 0.769 20 0 DCADMM O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CCOC2)C1)c1ncccc1[O-] ZINC000979666521 660797786 /nfs/dbraw/zinc/79/77/86/660797786.db2.gz VULWEUOWPJUEHO-IJLUTSLNSA-N -1 1 319.361 0.448 20 0 DCADMM CC(C)=C(F)C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000980959224 661053309 /nfs/dbraw/zinc/05/33/09/661053309.db2.gz BNPCKXFCTQCWSZ-UHFFFAOYSA-N -1 1 311.361 0.406 20 0 DCADMM CC(C)C(=O)N1CC2(C1)CCCN(Cc1nc(=O)n(C)[n-]1)C2 ZINC000981631094 661184677 /nfs/dbraw/zinc/18/46/77/661184677.db2.gz NVZMTYQYWWRHNE-UHFFFAOYSA-N -1 1 307.398 0.189 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)[C@@H]3CCC3(C)C)CC2)nc1=O ZINC000981794835 661219412 /nfs/dbraw/zinc/21/94/12/661219412.db2.gz SHFSCBKKWHKOGW-LBPRGKRZSA-N -1 1 321.425 0.579 20 0 DCADMM CC[C@H](CS(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(=O)OC)OC ZINC000885768385 667699829 /nfs/dbraw/zinc/69/98/29/667699829.db2.gz GSZMJMOBKDAQOK-GRYCIOLGSA-N -1 1 323.411 0.442 20 0 DCADMM O=C([C@H]1CC=CCC1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998517298 665471848 /nfs/dbraw/zinc/47/18/48/665471848.db2.gz IYGABDLMAQWVPY-NWDGAFQWSA-N -1 1 305.382 0.947 20 0 DCADMM Cc1cccc(C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)n1 ZINC000998566577 665481069 /nfs/dbraw/zinc/48/10/69/665481069.db2.gz KNPMABAVEIWCTJ-LLVKDONJSA-N -1 1 316.365 0.608 20 0 DCADMM CN1CC[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC1=O ZINC000891626080 657555102 /nfs/dbraw/zinc/55/51/02/657555102.db2.gz KZOBDESFXCELEJ-SECBINFHSA-N -1 1 304.350 0.868 20 0 DCADMM C[C@@H](CC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)n1cccc1 ZINC000970521664 657598952 /nfs/dbraw/zinc/59/89/52/657598952.db2.gz TWRTWMRXXSDKKG-NWDGAFQWSA-N -1 1 318.381 0.654 20 0 DCADMM C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859035096 657667616 /nfs/dbraw/zinc/66/76/16/657667616.db2.gz VMKCJVBXEDFFGY-YFKPBYRVSA-N -1 1 313.148 0.642 20 0 DCADMM Cn1cc(Cl)cc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000969264914 657639889 /nfs/dbraw/zinc/63/98/89/657639889.db2.gz FBBGIFKLPONODC-SECBINFHSA-N -1 1 324.772 0.507 20 0 DCADMM COCc1nc(N2CCC[C@H](c3nncn3C)C2)cc(=O)[n-]1 ZINC000891752564 657716401 /nfs/dbraw/zinc/71/64/01/657716401.db2.gz LWHXGPFNVIVFCU-JTQLQIEISA-N -1 1 304.354 0.841 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H](CNC(=O)[C@H]3CC3(C)C)C2)nc1=O ZINC001023316844 657734824 /nfs/dbraw/zinc/73/48/24/657734824.db2.gz SQKAFWGHUHKKCY-NWDGAFQWSA-N -1 1 321.425 0.483 20 0 DCADMM COC(=O)[C@H]1CCCN(CC(=O)Nc2c([O-])cccc2F)C1=O ZINC000935099479 657766108 /nfs/dbraw/zinc/76/61/08/657766108.db2.gz KOIRRKPAQWCQBG-VIFPVBQESA-N -1 1 324.308 0.881 20 0 DCADMM O=C(C=C1CCC1)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001023363275 657789169 /nfs/dbraw/zinc/78/91/69/657789169.db2.gz RMIXYFDQHLZGDY-DGCLKSJQSA-N -1 1 317.345 0.199 20 0 DCADMM O=C(N[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1O)c1ncccc1[O-] ZINC001023488368 657921340 /nfs/dbraw/zinc/92/13/40/657921340.db2.gz FDMBBIUPUOFWPN-DGCLKSJQSA-N -1 1 317.345 0.055 20 0 DCADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2nncs2)C1 ZINC000969542567 657969460 /nfs/dbraw/zinc/96/94/60/657969460.db2.gz FWEYDMBXHIUYAG-VIFPVBQESA-N -1 1 319.390 0.889 20 0 DCADMM O=C(c1ncccc1[O-])N1C[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC000971898999 657996800 /nfs/dbraw/zinc/99/68/00/657996800.db2.gz CGQIBRNAHZJRJO-VXGBXAGGSA-N -1 1 301.346 0.870 20 0 DCADMM C[C@@](O)(CC(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC000998950181 665553303 /nfs/dbraw/zinc/55/33/03/665553303.db2.gz SWCUODXRNCREIE-XHDPSFHLSA-N -1 1 323.397 0.142 20 0 DCADMM Cc1nscc1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998968645 665555644 /nfs/dbraw/zinc/55/56/44/665555644.db2.gz GYGHBZUUBQPDCU-VIFPVBQESA-N -1 1 322.394 0.670 20 0 DCADMM O=C(c1ncccc1[O-])N1CCC[C@@H](NCc2ncccn2)C1 ZINC000998993780 665561912 /nfs/dbraw/zinc/56/19/12/665561912.db2.gz CQPFOJUYTHZGAC-GFCCVEGCSA-N -1 1 313.361 0.972 20 0 DCADMM Cc1[nH]nc(C(=O)N2CCC[C@H](CNCc3cnon3)C2)c1[O-] ZINC001023937301 658324534 /nfs/dbraw/zinc/32/45/34/658324534.db2.gz LTWAVWQOPJWFND-SNVBAGLBSA-N -1 1 320.353 0.449 20 0 DCADMM C/C(=C/C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1)C1CC1 ZINC000971144382 658333814 /nfs/dbraw/zinc/33/38/14/658333814.db2.gz HWOGJZVVYSVDSJ-ZWXCPPHNSA-N -1 1 319.409 0.497 20 0 DCADMM O=C(OCCC[N-]C(=O)C(F)(F)F)[C@H]1CCCS1(=O)=O ZINC000848856970 658380040 /nfs/dbraw/zinc/38/00/40/658380040.db2.gz PSYHGFLZAXPLRE-SSDOTTSWSA-N -1 1 317.285 0.175 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(=O)N(C)C)[C@H](C)C2)c1[O-] ZINC000947204886 658396138 /nfs/dbraw/zinc/39/61/38/658396138.db2.gz IQXZUJOBWCOLAD-MWLCHTKSSA-N -1 1 323.397 0.095 20 0 DCADMM CN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3ncccc3O)C2)C1=O ZINC000971389454 658570221 /nfs/dbraw/zinc/57/02/21/658570221.db2.gz RBDIUBCPSMOYBQ-NEPJUHHUSA-N -1 1 318.377 0.164 20 0 DCADMM CN(Cc1nccn1C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971394583 658580571 /nfs/dbraw/zinc/58/05/71/658580571.db2.gz QQTHSAYJFXAEQN-GFCCVEGCSA-N -1 1 315.377 0.867 20 0 DCADMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@]1(C)CCCCO1 ZINC000921678411 665592294 /nfs/dbraw/zinc/59/22/94/665592294.db2.gz ZKENUCWYBCJPEE-MLCYQJTMSA-N -1 1 313.445 0.354 20 0 DCADMM O=C(c1ncccc1[O-])N1CC[C@@]2(C1)CN(CCF)CCO2 ZINC000972354946 658608773 /nfs/dbraw/zinc/60/87/73/658608773.db2.gz HXTQLDNXQAGHCL-HNNXBMFYSA-N -1 1 309.341 0.674 20 0 DCADMM O=C(Cc1ccc2c(c1)CCC2)N1CCOC[C@H]1c1nn[n-]n1 ZINC000737965638 658625411 /nfs/dbraw/zinc/62/54/11/658625411.db2.gz BZJPPESQNDBHFF-AWEZNQCLSA-N -1 1 313.361 0.831 20 0 DCADMM CCc1cc(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)no1 ZINC000939556924 665602080 /nfs/dbraw/zinc/60/20/80/665602080.db2.gz UOGPWFBSROCNSG-LDYMZIIASA-N -1 1 320.353 0.311 20 0 DCADMM O=C(N[C@H]1C[C@@H](NCc2cnsn2)C1)c1ncccc1[O-] ZINC001022000245 658718849 /nfs/dbraw/zinc/71/88/49/658718849.db2.gz UMPCGJQQDFICKT-DTORHVGOSA-N -1 1 305.363 0.689 20 0 DCADMM O=C(NC[C@@H]1CCN1C(=O)c1ccsn1)c1ncccc1[O-] ZINC000949538941 658783664 /nfs/dbraw/zinc/78/36/64/658783664.db2.gz UIUPQBFUTBTNFM-VIFPVBQESA-N -1 1 318.358 0.888 20 0 DCADMM O=C(NC1CN(C(=O)c2ncccc2[O-])C1)C1CC2(CC2)C1 ZINC000999329799 665629946 /nfs/dbraw/zinc/62/99/46/665629946.db2.gz SYPXWQKRPOYBSN-UHFFFAOYSA-N -1 1 301.346 0.918 20 0 DCADMM Cn1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC000973165223 659153778 /nfs/dbraw/zinc/15/37/78/659153778.db2.gz AXHWWYANFCGLMC-HAQNSBGRSA-N -1 1 314.345 0.817 20 0 DCADMM C[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)CO1 ZINC000973196924 659174165 /nfs/dbraw/zinc/17/41/65/659174165.db2.gz IPEMCNNAYLKQLJ-WRWGMCAJSA-N -1 1 319.361 0.589 20 0 DCADMM C[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 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304.350 0.800 20 0 DCADMM C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1ccccn1 ZINC000985882964 662524408 /nfs/dbraw/zinc/52/44/08/662524408.db2.gz DUWSQTXMJTXJGY-ZJUUUORDSA-N -1 1 302.338 0.298 20 0 DCADMM Cc1ncoc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000986102317 662554901 /nfs/dbraw/zinc/55/49/01/662554901.db2.gz PHHXVGCJUORHFM-RKDXNWHRSA-N -1 1 306.326 0.200 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1cncc(F)c1 ZINC000986131590 662559982 /nfs/dbraw/zinc/55/99/82/662559982.db2.gz DZNLWVFBJOVJML-KWQFWETISA-N -1 1 320.328 0.437 20 0 DCADMM C[C@H]1[C@H](NCc2cnon2)CCN1C(=O)c1ncccc1[O-] ZINC000986173021 662564254 /nfs/dbraw/zinc/56/42/54/662564254.db2.gz VIOOAPRWQMZEND-GXSJLCMTSA-N -1 1 303.322 0.563 20 0 DCADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCn1cccn1)C(C)(C)C ZINC000866938754 662568331 /nfs/dbraw/zinc/56/83/31/662568331.db2.gz ZICUZMUBSSUXAU-LLVKDONJSA-N -1 1 317.411 0.780 20 0 DCADMM C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)C=Cc1ccc[nH]1 ZINC000986197909 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/nfs/dbraw/zinc/71/86/62/1163718662.db2.gz VHKMYZBNZAMLFS-UHFFFAOYSA-N -1 1 304.310 0.799 20 0 DCADMM O=C([O-])[C@]12CCC[C@@H]1C[C@@H](NCc1nnc3n1CCNC3=O)C2 ZINC001574435457 1163723047 /nfs/dbraw/zinc/72/30/47/1163723047.db2.gz OMBQDMOUBXXTJJ-FCHSOHFDSA-N -1 1 319.365 0.145 20 0 DCADMM C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574618666 1163736087 /nfs/dbraw/zinc/73/60/87/1163736087.db2.gz ICPVRCFVIXWLCS-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574618666 1163736093 /nfs/dbraw/zinc/73/60/93/1163736093.db2.gz ICPVRCFVIXWLCS-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1C[C@@H]1C ZINC001574665350 1163739458 /nfs/dbraw/zinc/73/94/58/1163739458.db2.gz QYHJTJBYJNVKPG-AEJSXWLSSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1C[C@@H]1C ZINC001574665350 1163739466 /nfs/dbraw/zinc/73/94/66/1163739466.db2.gz QYHJTJBYJNVKPG-AEJSXWLSSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574829410 1163761500 /nfs/dbraw/zinc/76/15/00/1163761500.db2.gz NMVYUMQPIUOJGF-MRVPVSSYSA-N -1 1 322.348 0.569 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574829410 1163761505 /nfs/dbraw/zinc/76/15/05/1163761505.db2.gz NMVYUMQPIUOJGF-MRVPVSSYSA-N -1 1 322.348 0.569 20 0 DCADMM C[C@H](CNC(=O)[C@@H](C)C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574835407 1163766547 /nfs/dbraw/zinc/76/65/47/1163766547.db2.gz HCCAHIKIRLRVIZ-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@@H](C)C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574835407 1163766549 /nfs/dbraw/zinc/76/65/49/1163766549.db2.gz HCCAHIKIRLRVIZ-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574846081 1163769481 /nfs/dbraw/zinc/76/94/81/1163769481.db2.gz HTTFVWHWMCRMRS-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574846081 1163769489 /nfs/dbraw/zinc/76/94/89/1163769489.db2.gz HTTFVWHWMCRMRS-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574861254 1163774948 /nfs/dbraw/zinc/77/49/48/1163774948.db2.gz GAMSBMRLHWKEHG-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1CC1(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574861254 1163774952 /nfs/dbraw/zinc/77/49/52/1163774952.db2.gz GAMSBMRLHWKEHG-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC12CC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574863410 1163776404 /nfs/dbraw/zinc/77/64/04/1163776404.db2.gz YMJFGRWLVYJHCP-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC12CC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574863410 1163776409 /nfs/dbraw/zinc/77/64/09/1163776409.db2.gz YMJFGRWLVYJHCP-DTWKUNHWSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC1(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574862141 1163776725 /nfs/dbraw/zinc/77/67/25/1163776725.db2.gz QNTURTHTUYZBNK-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC1(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574862141 1163776731 /nfs/dbraw/zinc/77/67/31/1163776731.db2.gz QNTURTHTUYZBNK-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNC(=O)C1CCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574868097 1163778768 /nfs/dbraw/zinc/77/87/68/1163778768.db2.gz FWWMYVFHDVONLU-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)C1CCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574868097 1163778772 /nfs/dbraw/zinc/77/87/72/1163778772.db2.gz FWWMYVFHDVONLU-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)CC1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574896489 1163790448 /nfs/dbraw/zinc/79/04/48/1163790448.db2.gz YCZNQEHPIJYVKT-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CNC(=O)CC1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574896489 1163790454 /nfs/dbraw/zinc/79/04/54/1163790454.db2.gz YCZNQEHPIJYVKT-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM CO[C@@H]1CCC[C@@H]1C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001575058715 1163871160 /nfs/dbraw/zinc/87/11/60/1163871160.db2.gz MYRGHTIDXRHYMT-CMPLNLGQSA-N -1 1 307.350 0.448 20 0 DCADMM CC(C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)n1ccc(N)n1 ZINC001575097513 1163892944 /nfs/dbraw/zinc/89/29/44/1163892944.db2.gz ZLAZFPLMABLIPM-UHFFFAOYSA-N -1 1 303.248 0.976 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccnn1C ZINC001575302577 1163966326 /nfs/dbraw/zinc/96/63/26/1163966326.db2.gz JRIIHSFDPDVULP-SSDOTTSWSA-N -1 1 316.329 0.216 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccnn1C ZINC001575302577 1163966334 /nfs/dbraw/zinc/96/63/34/1163966334.db2.gz JRIIHSFDPDVULP-SSDOTTSWSA-N -1 1 316.329 0.216 20 0 DCADMM C[C@](O)(C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001575459273 1164022430 /nfs/dbraw/zinc/02/24/30/1164022430.db2.gz KFWPAMWHWGSHJK-CYBMUJFWSA-N -1 1 317.284 0.575 20 0 DCADMM C[C@](O)(C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001575459273 1164022437 /nfs/dbraw/zinc/02/24/37/1164022437.db2.gz KFWPAMWHWGSHJK-CYBMUJFWSA-N -1 1 317.284 0.575 20 0 DCADMM C[C@](O)(CNc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001575473710 1164027672 /nfs/dbraw/zinc/02/76/72/1164027672.db2.gz MWJRSQLVQLKXKS-AWEZNQCLSA-N -1 1 315.312 0.537 20 0 DCADMM C[C@]1(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCC(=O)N1 ZINC001575778699 1164146386 /nfs/dbraw/zinc/14/63/86/1164146386.db2.gz AANFNFPKTZYOLR-CYBMUJFWSA-N -1 1 316.325 0.052 20 0 DCADMM C[C@]1(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCC(=O)N1 ZINC001575778699 1164146388 /nfs/dbraw/zinc/14/63/88/1164146388.db2.gz AANFNFPKTZYOLR-CYBMUJFWSA-N -1 1 316.325 0.052 20 0 DCADMM COc1ccc(C(=O)NCCCNC(=O)c2ncccc2[O-])o1 ZINC001575794472 1164153117 /nfs/dbraw/zinc/15/31/17/1164153117.db2.gz CITIAJHBKMUESM-UHFFFAOYSA-N -1 1 319.317 0.939 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576076993 1164230975 /nfs/dbraw/zinc/23/09/75/1164230975.db2.gz PHZZEVWQZJBVRD-NXEZZACHSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576076993 1164230979 /nfs/dbraw/zinc/23/09/79/1164230979.db2.gz PHZZEVWQZJBVRD-NXEZZACHSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576076396 1164231650 /nfs/dbraw/zinc/23/16/50/1164231650.db2.gz KMAYDJWVQFCLKP-VHSXEESVSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001576098946 1164240630 /nfs/dbraw/zinc/24/06/30/1164240630.db2.gz DNJXRSHTJKWRGC-YUMQZZPRSA-N -1 1 320.378 0.654 20 0 DCADMM C[C@H]1CN(C(=O)C2CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576231671 1164275544 /nfs/dbraw/zinc/27/55/44/1164275544.db2.gz IABJOFDCAJFXOG-GZMMTYOYSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H]1CN(C(=O)C2CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576231671 1164275551 /nfs/dbraw/zinc/27/55/51/1164275551.db2.gz IABJOFDCAJFXOG-GZMMTYOYSA-N -1 1 314.353 0.326 20 0 DCADMM CCC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001576407022 1164328172 /nfs/dbraw/zinc/32/81/72/1164328172.db2.gz LGSDHWQNTCKPLB-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001576407022 1164328179 /nfs/dbraw/zinc/32/81/79/1164328179.db2.gz LGSDHWQNTCKPLB-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001576407526 1164329102 /nfs/dbraw/zinc/32/91/02/1164329102.db2.gz XPFJKCXJZMCYDP-AOOOYVTPSA-N -1 1 314.353 0.246 20 0 DCADMM CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001576407526 1164329107 /nfs/dbraw/zinc/32/91/07/1164329107.db2.gz XPFJKCXJZMCYDP-AOOOYVTPSA-N -1 1 314.353 0.246 20 0 DCADMM CCC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001576406850 1164329183 /nfs/dbraw/zinc/32/91/83/1164329183.db2.gz GOAWVZFCYPCNHW-SNVBAGLBSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001576406850 1164329191 /nfs/dbraw/zinc/32/91/91/1164329191.db2.gz GOAWVZFCYPCNHW-SNVBAGLBSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576414698 1164333669 /nfs/dbraw/zinc/33/36/69/1164333669.db2.gz DBUXUMBKAHHBDF-VHSXEESVSA-N -1 1 316.369 0.138 20 0 DCADMM CCC(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576416848 1164336516 /nfs/dbraw/zinc/33/65/16/1164336516.db2.gz SZOOUMYHJNFZRP-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576416848 1164336522 /nfs/dbraw/zinc/33/65/22/1164336522.db2.gz SZOOUMYHJNFZRP-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576440603 1164345494 /nfs/dbraw/zinc/34/54/94/1164345494.db2.gz JSGPIJJXIFTJLB-UHFFFAOYSA-N -1 1 316.369 0.328 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001576444697 1164348493 /nfs/dbraw/zinc/34/84/93/1164348493.db2.gz KXFRWJGTUUCUDP-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001576444697 1164348499 /nfs/dbraw/zinc/34/84/99/1164348499.db2.gz KXFRWJGTUUCUDP-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001576471478 1164355523 /nfs/dbraw/zinc/35/55/23/1164355523.db2.gz QXJZHBWYNHTRAO-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CCC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001576471478 1164355530 /nfs/dbraw/zinc/35/55/30/1164355530.db2.gz QXJZHBWYNHTRAO-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CCC(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576485668 1164363899 /nfs/dbraw/zinc/36/38/99/1164363899.db2.gz CUQNEIQBDYQQLW-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576485668 1164363906 /nfs/dbraw/zinc/36/39/06/1164363906.db2.gz CUQNEIQBDYQQLW-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CC[C@H](C)CC[C@H](O)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001576652486 1164423937 /nfs/dbraw/zinc/42/39/37/1164423937.db2.gz SMINOIAPJVBQOD-IUCAKERBSA-N -1 1 307.358 0.863 20 0 DCADMM CCC(CC)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576734063 1164445668 /nfs/dbraw/zinc/44/56/68/1164445668.db2.gz YOTNXWPPNNGSSP-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCC(CC)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576734063 1164445670 /nfs/dbraw/zinc/44/56/70/1164445670.db2.gz YOTNXWPPNNGSSP-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](CC)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576777445 1164461661 /nfs/dbraw/zinc/46/16/61/1164461661.db2.gz NWUJYDPDKIWVSL-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](CC)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576777445 1164461666 /nfs/dbraw/zinc/46/16/66/1164461666.db2.gz NWUJYDPDKIWVSL-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](CNC(=O)C1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576792222 1164465446 /nfs/dbraw/zinc/46/54/46/1164465446.db2.gz ULNNRPGUQCCRNQ-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)C1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576792222 1164465453 /nfs/dbraw/zinc/46/54/53/1164465453.db2.gz ULNNRPGUQCCRNQ-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)CCCF)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576817776 1164480140 /nfs/dbraw/zinc/48/01/40/1164480140.db2.gz 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ZINC001577097570 1164601987 /nfs/dbraw/zinc/60/19/87/1164601987.db2.gz JTWHOKPTUOFRQM-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001577184915 1164625546 /nfs/dbraw/zinc/62/55/46/1164625546.db2.gz PNBDRVDPXQELPL-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001577184915 1164625549 /nfs/dbraw/zinc/62/55/49/1164625549.db2.gz PNBDRVDPXQELPL-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001577187797 1164626585 /nfs/dbraw/zinc/62/65/85/1164626585.db2.gz LPLVOPDSXRCQAW-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001577187797 1164626588 /nfs/dbraw/zinc/62/65/88/1164626588.db2.gz LPLVOPDSXRCQAW-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001577200440 1164631718 /nfs/dbraw/zinc/63/17/18/1164631718.db2.gz UISFNVGHVPFOEU-UHFFFAOYSA-N -1 1 302.342 0.105 20 0 DCADMM CCCC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001577200440 1164631720 /nfs/dbraw/zinc/63/17/20/1164631720.db2.gz UISFNVGHVPFOEU-UHFFFAOYSA-N -1 1 302.342 0.105 20 0 DCADMM CCCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001577213792 1164636610 /nfs/dbraw/zinc/63/66/10/1164636610.db2.gz NZOVYJKLDUTWDO-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001577213792 1164636614 /nfs/dbraw/zinc/63/66/14/1164636614.db2.gz NZOVYJKLDUTWDO-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CCCC(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577215487 1164638647 /nfs/dbraw/zinc/63/86/47/1164638647.db2.gz BLQCYTZBFBSHKY-UHFFFAOYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577215487 1164638654 /nfs/dbraw/zinc/63/86/54/1164638654.db2.gz BLQCYTZBFBSHKY-UHFFFAOYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001577218696 1164640116 /nfs/dbraw/zinc/64/01/16/1164640116.db2.gz BPYCCKLGZNWHHR-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001577403154 1164684368 /nfs/dbraw/zinc/68/43/68/1164684368.db2.gz LMQUBERAUVJBPM-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001577403154 1164684373 /nfs/dbraw/zinc/68/43/73/1164684373.db2.gz LMQUBERAUVJBPM-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM O=C(N[C@H](CO)c1c[nH]nn1)c1ccc2oc(=S)[n-]c2c1 ZINC001577971938 1164868324 /nfs/dbraw/zinc/86/83/24/1164868324.db2.gz JINPSRAAJUZWRX-SECBINFHSA-N -1 1 305.319 0.698 20 0 DCADMM CCN(c1ccc(-c2nnn[n-]2)nn1)[C@H](C)CNC(=O)C(C)C ZINC001578189188 1164947868 /nfs/dbraw/zinc/94/78/68/1164947868.db2.gz NKFCRBOTTHRDLQ-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CCN(c1ccc(-c2nn[n-]n2)nn1)[C@H](C)CNC(=O)C(C)C ZINC001578189188 1164947873 /nfs/dbraw/zinc/94/78/73/1164947873.db2.gz NKFCRBOTTHRDLQ-SNVBAGLBSA-N -1 1 318.385 0.644 20 0 DCADMM CCN(c1cncc(-c2nnn[n-]2)n1)[C@H](C)CNC(=O)C1CC1 ZINC001578201076 1164948937 /nfs/dbraw/zinc/94/89/37/1164948937.db2.gz UMOLWJVKUDBYNV-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CCN(c1cncc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)C1CC1 ZINC001578201076 1164948942 /nfs/dbraw/zinc/94/89/42/1164948942.db2.gz UMOLWJVKUDBYNV-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CCOC(=O)c1cc(COc2cnc(-c3nn[n-]n3)nc2)on1 ZINC001578252152 1164965366 /nfs/dbraw/zinc/96/53/66/1164965366.db2.gz LYGUBSVRBLISJI-UHFFFAOYSA-N -1 1 317.265 0.400 20 0 DCADMM CCOc1nc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)co1 ZINC001578409951 1165002965 /nfs/dbraw/zinc/00/29/65/1165002965.db2.gz LJYLKKHAFKLIOU-UHFFFAOYSA-N -1 1 318.297 0.548 20 0 DCADMM CCOc1nc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)co1 ZINC001578409951 1165002967 /nfs/dbraw/zinc/00/29/67/1165002967.db2.gz LJYLKKHAFKLIOU-UHFFFAOYSA-N -1 1 318.297 0.548 20 0 DCADMM CCOc1nccc(C)c1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001578410599 1165003009 /nfs/dbraw/zinc/00/30/09/1165003009.db2.gz ZGLXXVSQTNIGTH-UHFFFAOYSA-N -1 1 314.309 0.944 20 0 DCADMM CCOc1nccc(C)c1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001578410599 1165003013 /nfs/dbraw/zinc/00/30/13/1165003013.db2.gz ZGLXXVSQTNIGTH-UHFFFAOYSA-N -1 1 314.309 0.944 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001578434186 1165014956 /nfs/dbraw/zinc/01/49/56/1165014956.db2.gz GUZOCUKVJXRQKP-IVZWLZJFSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001578434186 1165014959 /nfs/dbraw/zinc/01/49/59/1165014959.db2.gz GUZOCUKVJXRQKP-IVZWLZJFSA-N -1 1 316.369 0.619 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CNC(C)=O)C2)n1 ZINC001578581409 1165065696 /nfs/dbraw/zinc/06/56/96/1165065696.db2.gz XJJCMPYWBPORMI-JTQLQIEISA-N -1 1 316.369 0.182 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CNC(C)=O)C2)n1 ZINC001578581409 1165065702 /nfs/dbraw/zinc/06/57/02/1165065702.db2.gz XJJCMPYWBPORMI-JTQLQIEISA-N -1 1 316.369 0.182 20 0 DCADMM CCc1nc(N[C@H](C(N)=O)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001578620714 1165070711 /nfs/dbraw/zinc/07/07/11/1165070711.db2.gz LVQFDAINDJECMV-ZDUSSCGKSA-N -1 1 324.348 0.858 20 0 DCADMM CCc1nc(N[C@H](C(N)=O)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001578620714 1165070717 /nfs/dbraw/zinc/07/07/17/1165070717.db2.gz LVQFDAINDJECMV-ZDUSSCGKSA-N -1 1 324.348 0.858 20 0 DCADMM CCn1nncc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001578835911 1165134692 /nfs/dbraw/zinc/13/46/92/1165134692.db2.gz MXYFXLORTYMOSU-UHFFFAOYSA-N -1 1 314.313 0.331 20 0 DCADMM CN(CCNC(=O)[C@H]1CC12CC2)c1ccnc(-c2nn[n-]n2)n1 ZINC001579167362 1165228998 /nfs/dbraw/zinc/22/89/98/1165228998.db2.gz UTNNOQUEZFEFPX-SECBINFHSA-N -1 1 314.353 0.009 20 0 DCADMM CN(CCNC(=O)c1ccco1)c1cncc(-c2nnn[n-]2)n1 ZINC001579200716 1165235870 /nfs/dbraw/zinc/23/58/70/1165235870.db2.gz OIQFPTMBUOLQOV-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN(CCNC(=O)c1ccco1)c1cncc(-c2nn[n-]n2)n1 ZINC001579200716 1165235878 /nfs/dbraw/zinc/23/58/78/1165235878.db2.gz OIQFPTMBUOLQOV-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)C1(C)CCC1 ZINC001579218896 1165242218 /nfs/dbraw/zinc/24/22/18/1165242218.db2.gz DXGPTVDNCFASNJ-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)C1(C)CCC1 ZINC001579218896 1165242223 /nfs/dbraw/zinc/24/22/23/1165242223.db2.gz DXGPTVDNCFASNJ-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)[C@@H]1CC12CC2 ZINC001579218924 1165242523 /nfs/dbraw/zinc/24/25/23/1165242523.db2.gz FVRXCLBQRUICPP-VIFPVBQESA-N -1 1 314.353 0.327 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)[C@@H]1CC12CC2 ZINC001579218924 1165242528 /nfs/dbraw/zinc/24/25/28/1165242528.db2.gz FVRXCLBQRUICPP-VIFPVBQESA-N -1 1 314.353 0.327 20 0 DCADMM CN(CCn1cccn1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579232946 1165246363 /nfs/dbraw/zinc/24/63/63/1165246363.db2.gz XAQITZAVKVGVEQ-UHFFFAOYSA-N -1 1 313.325 0.622 20 0 DCADMM CN(CCn1cccn1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579232946 1165246369 /nfs/dbraw/zinc/24/63/69/1165246369.db2.gz XAQITZAVKVGVEQ-UHFFFAOYSA-N -1 1 313.325 0.622 20 0 DCADMM COc1cnc([C@H]2CCCN2C(=O)c2cnc(N)cn2)[n-]c1=O ZINC001579322301 1165270321 /nfs/dbraw/zinc/27/03/21/1165270321.db2.gz QDHZBVWNRWCDIU-SECBINFHSA-N -1 1 316.321 0.540 20 0 DCADMM CNC(=O)N[C@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001579402719 1165299706 /nfs/dbraw/zinc/29/97/06/1165299706.db2.gz NJYLABALPYWKNJ-QMMMGPOBSA-N -1 1 321.366 0.072 20 0 DCADMM COC(=O)[C@@]1(CNc2snc(C)c2-c2nn[n-]n2)CCOC1 ZINC001579438587 1165309255 /nfs/dbraw/zinc/30/92/55/1165309255.db2.gz JYOVZRASKXWBQG-GFCCVEGCSA-N -1 1 324.366 0.623 20 0 DCADMM COC(=O)[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@H]1C1CC1 ZINC001579470297 1165320981 /nfs/dbraw/zinc/32/09/81/1165320981.db2.gz AHINKLRUVCPROK-WDEREUQCSA-N -1 1 315.337 0.292 20 0 DCADMM COC(=O)c1cc(Cn2cc(-c3nn[n-]n3)ccc2=O)cs1 ZINC001579479380 1165326226 /nfs/dbraw/zinc/32/62/26/1165326226.db2.gz KQXUBLCFIRCPDW-UHFFFAOYSA-N -1 1 317.330 0.925 20 0 DCADMM COC(=O)c1ccc(Nc2cnn(C)c2C)c(-c2nnn[n-]2)n1 ZINC001579484659 1165327713 /nfs/dbraw/zinc/32/77/13/1165327713.db2.gz HMGGHNUPCZAORZ-UHFFFAOYSA-N -1 1 314.309 0.834 20 0 DCADMM COC(=O)c1ccc(Nc2cnn(C)c2C)c(-c2nn[n-]n2)n1 ZINC001579484659 1165327719 /nfs/dbraw/zinc/32/77/19/1165327719.db2.gz HMGGHNUPCZAORZ-UHFFFAOYSA-N -1 1 314.309 0.834 20 0 DCADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)on1 ZINC001579483420 1165328314 /nfs/dbraw/zinc/32/83/14/1165328314.db2.gz GWCUKYJHFQKMLI-UHFFFAOYSA-N -1 1 320.290 0.955 20 0 DCADMM COC(=O)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)nn1 ZINC001579484119 1165328703 /nfs/dbraw/zinc/32/87/03/1165328703.db2.gz VVOLRKKRXSHISR-UHFFFAOYSA-N -1 1 315.249 0.289 20 0 DCADMM COC(=O)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)nn1 ZINC001579484119 1165328704 /nfs/dbraw/zinc/32/87/04/1165328704.db2.gz VVOLRKKRXSHISR-UHFFFAOYSA-N -1 1 315.249 0.289 20 0 DCADMM COC(=O)c1cccc(Cn2cc(-c3nn[n-]n3)ccc2=O)n1 ZINC001579487683 1165329041 /nfs/dbraw/zinc/32/90/41/1165329041.db2.gz POURUQJPRXWRCZ-UHFFFAOYSA-N -1 1 312.289 0.258 20 0 DCADMM COC(=O)c1ncccc1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579491315 1165330848 /nfs/dbraw/zinc/33/08/48/1165330848.db2.gz GIZJMRSUNHBNLO-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1ncccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579491315 1165330851 /nfs/dbraw/zinc/33/08/51/1165330851.db2.gz GIZJMRSUNHBNLO-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(OC)[C@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001579595525 1165355606 /nfs/dbraw/zinc/35/56/06/1165355606.db2.gz DRKVXENMKGZQNO-ZETCQYMHSA-N -1 1 324.345 0.071 20 0 DCADMM COC(OC)[C@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001579595525 1165355610 /nfs/dbraw/zinc/35/56/10/1165355610.db2.gz DRKVXENMKGZQNO-ZETCQYMHSA-N -1 1 324.345 0.071 20 0 DCADMM COC1(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CCC1 ZINC001579602685 1165357648 /nfs/dbraw/zinc/35/76/48/1165357648.db2.gz REYXIFIUDWHVKB-UHFFFAOYSA-N -1 1 318.337 0.575 20 0 DCADMM CO[C@H]1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001579617577 1165361894 /nfs/dbraw/zinc/36/18/94/1165361894.db2.gz FQIBRHQMZNZWFY-KCJUWKMLSA-N -1 1 320.353 0.589 20 0 DCADMM CO[C@H]1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001579617577 1165361900 /nfs/dbraw/zinc/36/19/00/1165361900.db2.gz FQIBRHQMZNZWFY-KCJUWKMLSA-N -1 1 320.353 0.589 20 0 DCADMM COCCC(C)(C)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001579778157 1165392943 /nfs/dbraw/zinc/39/29/43/1165392943.db2.gz YZRDKCFTGKGYAS-UHFFFAOYSA-N -1 1 320.353 0.821 20 0 DCADMM COCc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)no1 ZINC001579825879 1165403874 /nfs/dbraw/zinc/40/38/74/1165403874.db2.gz FHRCLPSOFKKDCI-UHFFFAOYSA-N -1 1 321.322 0.388 20 0 DCADMM COCc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)no1 ZINC001579825879 1165403882 /nfs/dbraw/zinc/40/38/82/1165403882.db2.gz FHRCLPSOFKKDCI-UHFFFAOYSA-N -1 1 321.322 0.388 20 0 DCADMM COc1ccc(OC)c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001580047205 1165485781 /nfs/dbraw/zinc/48/57/81/1165485781.db2.gz XLPAEUSYSSDIAX-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM CS[C@H](C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001580175711 1165527394 /nfs/dbraw/zinc/52/73/94/1165527394.db2.gz PINDQFDVUAHRDX-MRVPVSSYSA-N -1 1 322.398 0.279 20 0 DCADMM CS[C@H](C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001580175711 1165527401 /nfs/dbraw/zinc/52/74/01/1165527401.db2.gz PINDQFDVUAHRDX-MRVPVSSYSA-N -1 1 322.398 0.279 20 0 DCADMM CS[C@H](C)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001580174063 1165527593 /nfs/dbraw/zinc/52/75/93/1165527593.db2.gz AYLTWNZLKKBKFY-MRVPVSSYSA-N -1 1 322.398 0.279 20 0 DCADMM CS[C@H](C)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001580174063 1165527602 /nfs/dbraw/zinc/52/76/02/1165527602.db2.gz AYLTWNZLKKBKFY-MRVPVSSYSA-N -1 1 322.398 0.279 20 0 DCADMM CSc1cccc(NC(=O)Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001580235487 1165544300 /nfs/dbraw/zinc/54/43/00/1165544300.db2.gz QZBSSHJXBNGIPI-UHFFFAOYSA-N -1 1 316.350 0.819 20 0 DCADMM C[C@@H](CCNC(=O)C(C)(C)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001580240876 1165545783 /nfs/dbraw/zinc/54/57/83/1165545783.db2.gz CIBTYGMZQQZXMQ-QMMMGPOBSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@@H](CCNC(=O)C(C)(C)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001580240876 1165545792 /nfs/dbraw/zinc/54/57/92/1165545792.db2.gz CIBTYGMZQQZXMQ-QMMMGPOBSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001580369642 1165586331 /nfs/dbraw/zinc/58/63/31/1165586331.db2.gz FDSFJEUPXGEEJS-OPRDCNLKSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001580369642 1165586339 /nfs/dbraw/zinc/58/63/39/1165586339.db2.gz FDSFJEUPXGEEJS-OPRDCNLKSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCC1CC1 ZINC001580413698 1165596455 /nfs/dbraw/zinc/59/64/55/1165596455.db2.gz UPWMRQMFCSLYPY-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCC1CC1 ZINC001580413698 1165596458 /nfs/dbraw/zinc/59/64/58/1165596458.db2.gz UPWMRQMFCSLYPY-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)nn1C ZINC001580521847 1165629765 /nfs/dbraw/zinc/62/97/65/1165629765.db2.gz AETXDGKWFMJRLH-YIZRAAEISA-N -1 1 315.337 0.462 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)nn1C ZINC001580521847 1165629768 /nfs/dbraw/zinc/62/97/68/1165629768.db2.gz AETXDGKWFMJRLH-YIZRAAEISA-N -1 1 315.337 0.462 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@H](O)CC1 ZINC001580598540 1165649168 /nfs/dbraw/zinc/64/91/68/1165649168.db2.gz YWQRWCXAHKPHFI-VIFPVBQESA-N -1 1 318.337 0.263 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H]1CCCS1 ZINC001580601576 1165651484 /nfs/dbraw/zinc/65/14/84/1165651484.db2.gz BISGYPRUIMJLNC-MRVPVSSYSA-N -1 1 320.378 0.901 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@]1(C)CCO[C@@H]1C ZINC001580602293 1165652702 /nfs/dbraw/zinc/65/27/02/1165652702.db2.gz OYRDOUWPSFSUTO-CLAHSXSESA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(NC(=O)Cn2cc(C)cc(-c3nn[n-]n3)c2=O)no1 ZINC001580609126 1165656141 /nfs/dbraw/zinc/65/61/41/1165656141.db2.gz OVJIBJFTJPKYAY-UHFFFAOYSA-N -1 1 315.293 0.272 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2nnnn2C2CC2)n1 ZINC001580695239 1165689749 /nfs/dbraw/zinc/68/97/49/1165689749.db2.gz VRVJKJMSZZLTPP-SSDOTTSWSA-N -1 1 313.329 0.460 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2nnnn2C2CC2)n1 ZINC001580695239 1165689752 /nfs/dbraw/zinc/68/97/52/1165689752.db2.gz VRVJKJMSZZLTPP-SSDOTTSWSA-N -1 1 313.329 0.460 20 0 DCADMM Cc1cnc(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC001581315913 1165812200 /nfs/dbraw/zinc/81/22/00/1165812200.db2.gz IBGFMYJIEOPAPE-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1cnc(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC001581315913 1165812204 /nfs/dbraw/zinc/81/22/04/1165812204.db2.gz IBGFMYJIEOPAPE-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1nc(NCc2nnn(C(C)(C)C)n2)cc(-c2nnn[n-]2)n1 ZINC001581526405 1165839562 /nfs/dbraw/zinc/83/95/62/1165839562.db2.gz XTPILJZCCJUEKH-UHFFFAOYSA-N -1 1 315.345 0.319 20 0 DCADMM Cc1nc(NCc2nnn(C(C)(C)C)n2)cc(-c2nn[n-]n2)n1 ZINC001581526405 1165839575 /nfs/dbraw/zinc/83/95/75/1165839575.db2.gz XTPILJZCCJUEKH-UHFFFAOYSA-N -1 1 315.345 0.319 20 0 DCADMM Cc1nnc(SCc2ccc(-c3nn[n-]n3)s2)n(N)c1=O ZINC001581611685 1165849877 /nfs/dbraw/zinc/84/98/77/1165849877.db2.gz BEIHGBMSJRQPMD-UHFFFAOYSA-N -1 1 322.379 0.194 20 0 DCADMM Cc1noc(C(C)C)c1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001581623351 1165852728 /nfs/dbraw/zinc/85/27/28/1165852728.db2.gz LUGWFYMELLUZQP-UHFFFAOYSA-N -1 1 317.313 0.517 20 0 DCADMM Cc1nocc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001581644123 1165854761 /nfs/dbraw/zinc/85/47/61/1165854761.db2.gz VYWAEHRWYIULAA-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1nocc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001581644123 1165854766 /nfs/dbraw/zinc/85/47/66/1165854766.db2.gz VYWAEHRWYIULAA-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1nsc(NC(=O)COC[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC001581685125 1165857509 /nfs/dbraw/zinc/85/75/09/1165857509.db2.gz HIQFWKVXZZTUFJ-MRVPVSSYSA-N -1 1 324.366 0.766 20 0 DCADMM Cc1nsc(NC(=O)COC[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC001581685125 1165857521 /nfs/dbraw/zinc/85/75/21/1165857521.db2.gz HIQFWKVXZZTUFJ-MRVPVSSYSA-N -1 1 324.366 0.766 20 0 DCADMM Cc1onc(CC(=O)Nc2ccnc(CO)c2)c1-c1nnn[n-]1 ZINC001581739545 1165865513 /nfs/dbraw/zinc/86/55/13/1165865513.db2.gz MNRBVIVJWQWKPM-UHFFFAOYSA-N -1 1 315.293 0.232 20 0 DCADMM Cc1onc(CC(=O)Nc2ccnc(CO)c2)c1-c1nn[n-]n1 ZINC001581739545 1165865516 /nfs/dbraw/zinc/86/55/16/1165865516.db2.gz MNRBVIVJWQWKPM-UHFFFAOYSA-N -1 1 315.293 0.232 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2C[C@H]2C(F)(F)F)n1 ZINC001581754074 1165868040 /nfs/dbraw/zinc/86/80/40/1165868040.db2.gz FXESVMROAHLVHO-PHDIDXHHSA-N -1 1 316.247 0.673 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2C[C@H]2C(F)(F)F)n1 ZINC001581754074 1165868048 /nfs/dbraw/zinc/86/80/48/1165868048.db2.gz FXESVMROAHLVHO-PHDIDXHHSA-N -1 1 316.247 0.673 20 0 DCADMM Cn1cc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)[nH]c1=O ZINC001581764051 1165870133 /nfs/dbraw/zinc/87/01/33/1165870133.db2.gz CIEMXOHHMJEDDD-UHFFFAOYSA-N -1 1 315.297 0.159 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](CO)CC2CC2)n1 ZINC001581754628 1165870164 /nfs/dbraw/zinc/87/01/64/1165870164.db2.gz YXBBKBOMBVXXSP-VIFPVBQESA-N -1 1 320.357 0.130 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](CO)CC2CC2)n1 ZINC001581754628 1165870173 /nfs/dbraw/zinc/87/01/73/1165870173.db2.gz YXBBKBOMBVXXSP-VIFPVBQESA-N -1 1 320.357 0.130 20 0 DCADMM NC(=O)N1CCC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001581895556 1165907088 /nfs/dbraw/zinc/90/70/88/1165907088.db2.gz NVOUHZXWRPHLHA-ZETCQYMHSA-N -1 1 322.760 0.870 20 0 DCADMM NC(=O)N1CCC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001581895556 1165907095 /nfs/dbraw/zinc/90/70/95/1165907095.db2.gz NVOUHZXWRPHLHA-ZETCQYMHSA-N -1 1 322.760 0.870 20 0 DCADMM NC(=O)CC1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001581889559 1165907175 /nfs/dbraw/zinc/90/71/75/1165907175.db2.gz NZSVNRZRLKBZIE-UHFFFAOYSA-N -1 1 314.353 0.602 20 0 DCADMM NC(=O)CC1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001581889559 1165907180 /nfs/dbraw/zinc/90/71/80/1165907180.db2.gz NZSVNRZRLKBZIE-UHFFFAOYSA-N -1 1 314.353 0.602 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C1(Oc2ccccc2)CC1 ZINC001581908865 1165908863 /nfs/dbraw/zinc/90/88/63/1165908863.db2.gz GEQXQUUFSWAQLF-UHFFFAOYSA-N -1 1 311.305 0.897 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001581909191 1165909189 /nfs/dbraw/zinc/90/91/89/1165909189.db2.gz SVLLYAOTLPGHAU-UHFFFAOYSA-N -1 1 322.288 0.588 20 0 DCADMM Nc1nnc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)o1 ZINC001581911524 1165911724 /nfs/dbraw/zinc/91/17/24/1165911724.db2.gz XDLKIESDSVCXLV-UHFFFAOYSA-N -1 1 314.313 0.006 20 0 DCADMM Nc1nnc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)o1 ZINC001581911524 1165911732 /nfs/dbraw/zinc/91/17/32/1165911732.db2.gz XDLKIESDSVCXLV-UHFFFAOYSA-N -1 1 314.313 0.006 20 0 DCADMM O=C(C1CC1)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001581922204 1165915267 /nfs/dbraw/zinc/91/52/67/1165915267.db2.gz DLLGSWTWKQWLGV-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(CC1CC1)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001581970571 1165927331 /nfs/dbraw/zinc/92/73/31/1165927331.db2.gz QIQWLFVNRHTGNL-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(CC1CC1)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001581970571 1165927338 /nfs/dbraw/zinc/92/73/38/1165927338.db2.gz QIQWLFVNRHTGNL-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccn(CCF)n1 ZINC001582139355 1165967516 /nfs/dbraw/zinc/96/75/16/1165967516.db2.gz UZWUOPBLZMFFOD-UHFFFAOYSA-N -1 1 316.300 0.609 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccn(CCF)n1 ZINC001582139355 1165967523 /nfs/dbraw/zinc/96/75/23/1165967523.db2.gz UZWUOPBLZMFFOD-UHFFFAOYSA-N -1 1 316.300 0.609 20 0 DCADMM O=C(Cn1cc(Cl)cn1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582189492 1165978397 /nfs/dbraw/zinc/97/83/97/1165978397.db2.gz GRHWSDBUJZVVDW-UHFFFAOYSA-N -1 1 304.701 0.750 20 0 DCADMM O=C(Cn1cc(Cl)cn1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582189492 1165978401 /nfs/dbraw/zinc/97/84/01/1165978401.db2.gz GRHWSDBUJZVVDW-UHFFFAOYSA-N -1 1 304.701 0.750 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)NCc1cc(F)cc(F)c1 ZINC001582188795 1165978521 /nfs/dbraw/zinc/97/85/21/1165978521.db2.gz VAKJNJPWAJHQPQ-UHFFFAOYSA-N -1 1 320.263 0.053 20 0 DCADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001582314774 1165999921 /nfs/dbraw/zinc/99/99/21/1165999921.db2.gz SPEFFPAGMOXMQB-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001582314774 1165999926 /nfs/dbraw/zinc/99/99/26/1165999926.db2.gz SPEFFPAGMOXMQB-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@@H]1CCn2ccnc2C1)c1csc(-c2nn[n-]n2)c1 ZINC001582329365 1166002158 /nfs/dbraw/zinc/00/21/58/1166002158.db2.gz RBMCNBPQLNJADS-SECBINFHSA-N -1 1 315.362 0.870 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1C[C@@H]2COC[C@@H]2C1 ZINC001582549052 1166039990 /nfs/dbraw/zinc/03/99/90/1166039990.db2.gz MRYHISYSVXXABO-DTORHVGOSA-N -1 1 320.378 0.716 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc(CO)nc1 ZINC001582559614 1166045139 /nfs/dbraw/zinc/04/51/39/1166045139.db2.gz WKOCKYKQQBBVPT-UHFFFAOYSA-N -1 1 317.334 0.141 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc(CO)nc1 ZINC001582559614 1166045145 /nfs/dbraw/zinc/04/51/45/1166045145.db2.gz WKOCKYKQQBBVPT-UHFFFAOYSA-N -1 1 317.334 0.141 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1COc2ccccc2O1 ZINC001582650101 1166061150 /nfs/dbraw/zinc/06/11/50/1166061150.db2.gz OGBVWFXBEKWXGT-JTQLQIEISA-N -1 1 313.277 0.368 20 0 DCADMM O=C(Nc1ncc2c(n1)CCOC2)c1coc(-c2nnn[n-]2)c1 ZINC001582652905 1166061356 /nfs/dbraw/zinc/06/13/56/1166061356.db2.gz CWFKKUBETMZFJH-UHFFFAOYSA-N -1 1 313.277 0.575 20 0 DCADMM O=C(Nc1ncc2c(n1)CCOC2)c1coc(-c2nn[n-]n2)c1 ZINC001582652905 1166061358 /nfs/dbraw/zinc/06/13/58/1166061358.db2.gz CWFKKUBETMZFJH-UHFFFAOYSA-N -1 1 313.277 0.575 20 0 DCADMM O=C1CCCN1c1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001582768048 1166077612 /nfs/dbraw/zinc/07/76/12/1166077612.db2.gz DWVJEFJPMSPTFX-UHFFFAOYSA-N -1 1 322.332 0.949 20 0 DCADMM O=C1CN(c2ncncc2-c2nn[n-]n2)CCN1c1ccccc1 ZINC001582777047 1166080382 /nfs/dbraw/zinc/08/03/82/1166080382.db2.gz CNVSAKSZJFDGFF-UHFFFAOYSA-N -1 1 322.332 0.510 20 0 DCADMM O=S1(=O)CCN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H]2CCC[C@H]21 ZINC001582802307 1166085626 /nfs/dbraw/zinc/08/56/26/1166085626.db2.gz OPSHQTCOCRWAGT-ZYHUDNBSSA-N -1 1 323.378 0.611 20 0 DCADMM O=S1(=O)CCN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H]2CCC[C@H]21 ZINC001582802307 1166085633 /nfs/dbraw/zinc/08/56/33/1166085633.db2.gz OPSHQTCOCRWAGT-ZYHUDNBSSA-N -1 1 323.378 0.611 20 0 DCADMM O[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)Cc1ccccc1F ZINC001582810041 1166087850 /nfs/dbraw/zinc/08/78/50/1166087850.db2.gz WHGQKLRDDYUFHR-SNVBAGLBSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)Cc1ccccc1F ZINC001582810041 1166087854 /nfs/dbraw/zinc/08/78/54/1166087854.db2.gz WHGQKLRDDYUFHR-SNVBAGLBSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1Cc1ccccc1 ZINC001582813653 1166095188 /nfs/dbraw/zinc/09/51/88/1166095188.db2.gz UVXPVIBPFYPKFS-CHWSQXEVSA-N -1 1 323.360 0.697 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC001584438999 1166326596 /nfs/dbraw/zinc/32/65/96/1166326596.db2.gz AZDBXQVZQKJEJY-IYSWYEEDSA-N -1 1 306.351 0.807 20 0 DCADMM CSCC[C@H](NC(=O)c1ccnc2ccnn21)c1nn[n-]n1 ZINC001585197600 1166410504 /nfs/dbraw/zinc/41/05/04/1166410504.db2.gz WLEUDRAVARDMGP-QMMMGPOBSA-N -1 1 318.366 0.467 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c1 ZINC001587274986 1166506285 /nfs/dbraw/zinc/50/62/85/1166506285.db2.gz YYAPGELMKCBFRU-GFCCVEGCSA-N -1 1 318.329 0.779 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588813227 1166596576 /nfs/dbraw/zinc/59/65/76/1166596576.db2.gz VCXHHXAJKZZNII-PSASIEDQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588813227 1166596580 /nfs/dbraw/zinc/59/65/80/1166596580.db2.gz VCXHHXAJKZZNII-PSASIEDQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)[C@H](C)C1 ZINC001588823023 1166601325 /nfs/dbraw/zinc/60/13/25/1166601325.db2.gz JCWDYHYRZRFXJH-MRVPVSSYSA-N -1 1 318.337 0.461 20 0 DCADMM CC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)[C@H](C)C1 ZINC001588823023 1166601332 /nfs/dbraw/zinc/60/13/32/1166601332.db2.gz JCWDYHYRZRFXJH-MRVPVSSYSA-N -1 1 318.337 0.461 20 0 DCADMM CC(=O)NC[C@@H]1CCCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001588855708 1166609387 /nfs/dbraw/zinc/60/93/87/1166609387.db2.gz XAFHQDRGCKXPNO-NSHDSACASA-N -1 1 318.337 0.591 20 0 DCADMM CC(=O)NC[C@@H]1CCCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001588855708 1166609390 /nfs/dbraw/zinc/60/93/90/1166609390.db2.gz XAFHQDRGCKXPNO-NSHDSACASA-N -1 1 318.337 0.591 20 0 DCADMM C[C@@H](C(=O)N1CC(C)(C)OC[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001588947213 1166621944 /nfs/dbraw/zinc/62/19/44/1166621944.db2.gz XNLQCSRAXRJXOX-IUCAKERBSA-N -1 1 320.357 0.045 20 0 DCADMM C[C@@H](C(=O)NC(C)(C)C(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588966444 1166624558 /nfs/dbraw/zinc/62/45/58/1166624558.db2.gz ZWKBVAZEEPUVEY-YFKPBYRVSA-N -1 1 300.273 0.179 20 0 DCADMM C[C@@H](C(=O)Nc1cnn2ccccc12)n1cnc(-c2nn[n-]n2)n1 ZINC001589020187 1166628808 /nfs/dbraw/zinc/62/88/08/1166628808.db2.gz DGIATOKTDXUSMK-QMMMGPOBSA-N -1 1 324.308 0.306 20 0 DCADMM C[C@@H](C(=O)Nc1cccc(F)c1O)n1cnc(-c2nn[n-]n2)n1 ZINC001589018575 1166628859 /nfs/dbraw/zinc/62/88/59/1166628859.db2.gz HYIGFPBYKGLLSV-LURJTMIESA-N -1 1 318.272 0.503 20 0 DCADMM C[C@@H](C(=O)Nc1ccc(Cl)cn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589015980 1166628975 /nfs/dbraw/zinc/62/89/75/1166628975.db2.gz SSYUKMCYLLHLLY-LURJTMIESA-N -1 1 319.716 0.706 20 0 DCADMM C[C@H](C(=O)Nc1cccnc1Cl)n1cnc(-c2nn[n-]n2)n1 ZINC001589022446 1166629502 /nfs/dbraw/zinc/62/95/02/1166629502.db2.gz YNJIVBCZHUDZFF-ZCFIWIBFSA-N -1 1 319.716 0.706 20 0 DCADMM C[C@@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC001589021558 1166629560 /nfs/dbraw/zinc/62/95/60/1166629560.db2.gz PDBLFWMNRDWFNG-VIFPVBQESA-N -1 1 324.348 0.980 20 0 DCADMM CC(C)(C)[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCO1 ZINC001589105774 1166634740 /nfs/dbraw/zinc/63/47/40/1166634740.db2.gz YCISJWXYHLUOOC-LBPRGKRZSA-N -1 1 318.381 0.733 20 0 DCADMM CC(C)(C)[C@H](O)C[C@H](CO)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589095497 1166634774 /nfs/dbraw/zinc/63/47/74/1166634774.db2.gz KJTHHFXIMPADIU-ZYHUDNBSSA-N -1 1 306.370 0.254 20 0 DCADMM CC(C)(C)[C@H](O)C[C@H](CO)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589095497 1166634778 /nfs/dbraw/zinc/63/47/78/1166634778.db2.gz KJTHHFXIMPADIU-ZYHUDNBSSA-N -1 1 306.370 0.254 20 0 DCADMM CC(C)(C)[C@@H](O)C[C@@H](CO)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589095495 1166635984 /nfs/dbraw/zinc/63/59/84/1166635984.db2.gz KJTHHFXIMPADIU-JQWIXIFHSA-N -1 1 306.370 0.254 20 0 DCADMM CC(C)(C)[C@@H](O)C[C@@H](CO)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589095495 1166635986 /nfs/dbraw/zinc/63/59/86/1166635986.db2.gz KJTHHFXIMPADIU-JQWIXIFHSA-N -1 1 306.370 0.254 20 0 DCADMM CC(C)(CO)CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589294560 1166644451 /nfs/dbraw/zinc/64/44/51/1166644451.db2.gz VZWYSNSKLWCHIX-UHFFFAOYSA-N -1 1 304.354 0.329 20 0 DCADMM CC(C)(CO)CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589294560 1166644455 /nfs/dbraw/zinc/64/44/55/1166644455.db2.gz VZWYSNSKLWCHIX-UHFFFAOYSA-N -1 1 304.354 0.329 20 0 DCADMM CC(C)=CC(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589366810 1166651868 /nfs/dbraw/zinc/65/18/68/1166651868.db2.gz CKRWMEHZJBXMMH-SECBINFHSA-N -1 1 302.342 0.540 20 0 DCADMM CC(C)=CC(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589366810 1166651874 /nfs/dbraw/zinc/65/18/74/1166651874.db2.gz CKRWMEHZJBXMMH-SECBINFHSA-N -1 1 302.342 0.540 20 0 DCADMM CC(C)=CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001589360118 1166652645 /nfs/dbraw/zinc/65/26/45/1166652645.db2.gz BVWYISLMPCDTIN-SNVBAGLBSA-N -1 1 316.369 0.564 20 0 DCADMM CC(C)=CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001589360118 1166652651 /nfs/dbraw/zinc/65/26/51/1166652651.db2.gz BVWYISLMPCDTIN-SNVBAGLBSA-N -1 1 316.369 0.564 20 0 DCADMM CC(C)[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C1CC1 ZINC001589475187 1166661033 /nfs/dbraw/zinc/66/10/33/1166661033.db2.gz LCEVCXVNYKLXBJ-JTQLQIEISA-N -1 1 319.369 0.111 20 0 DCADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589492013 1166662915 /nfs/dbraw/zinc/66/29/15/1166662915.db2.gz ZQJWRSMDLTYFSU-ZANVPECISA-N -1 1 319.373 0.192 20 0 DCADMM CC(C)C[C@@H](C(N)=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001589542106 1166665603 /nfs/dbraw/zinc/66/56/03/1166665603.db2.gz UFYVORPLYZFQLG-VIFPVBQESA-N -1 1 318.337 0.658 20 0 DCADMM CC(C)CC(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001589533888 1166665676 /nfs/dbraw/zinc/66/56/76/1166665676.db2.gz LISGBZQXRHJXRC-ARJAWSKDSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)CC(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001589533888 1166665681 /nfs/dbraw/zinc/66/56/81/1166665681.db2.gz LISGBZQXRHJXRC-ARJAWSKDSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)CCCCNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001589593876 1166667086 /nfs/dbraw/zinc/66/70/86/1166667086.db2.gz UDEJCOCVPNUCKZ-UHFFFAOYSA-N -1 1 307.358 0.904 20 0 DCADMM CC(C)NC(=O)[C@H](C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589720701 1166677306 /nfs/dbraw/zinc/67/73/06/1166677306.db2.gz LTQRCTLEULPOOA-ZETCQYMHSA-N -1 1 308.367 0.571 20 0 DCADMM CC(C)OC[C@@H](CO)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589746667 1166680819 /nfs/dbraw/zinc/68/08/19/1166680819.db2.gz ZYEZDGSWFZCORW-SECBINFHSA-N -1 1 309.326 0.318 20 0 DCADMM CC(C)OC[C@@H](CO)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589746667 1166680823 /nfs/dbraw/zinc/68/08/23/1166680823.db2.gz ZYEZDGSWFZCORW-SECBINFHSA-N -1 1 309.326 0.318 20 0 DCADMM CC(C)c1nncn1CCNc1ncncc1-c1nn[n-]n1 ZINC001589778681 1166685324 /nfs/dbraw/zinc/68/53/24/1166685324.db2.gz REXPUVXXQMFKJV-UHFFFAOYSA-N -1 1 300.330 0.484 20 0 DCADMM C[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001589793914 1166688601 /nfs/dbraw/zinc/68/86/01/1166688601.db2.gz FEXDFWWAVZTIRP-ZETCQYMHSA-N -1 1 301.314 0.456 20 0 DCADMM CC(C)C(=O)NCC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001589819575 1166693041 /nfs/dbraw/zinc/69/30/41/1166693041.db2.gz BBNPBBQWCDDPHH-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C(=O)NCC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001589819575 1166693045 /nfs/dbraw/zinc/69/30/45/1166693045.db2.gz BBNPBBQWCDDPHH-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589821114 1166693320 /nfs/dbraw/zinc/69/33/20/1166693320.db2.gz VKEUUKQUDIBBJE-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589821114 1166693324 /nfs/dbraw/zinc/69/33/24/1166693324.db2.gz VKEUUKQUDIBBJE-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H](CCCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589821935 1166693528 /nfs/dbraw/zinc/69/35/28/1166693528.db2.gz ZDMMRGLIAMXFAW-SSDOTTSWSA-N -1 1 317.396 0.368 20 0 DCADMM C[C@H](CCCO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589821935 1166693534 /nfs/dbraw/zinc/69/35/34/1166693534.db2.gz ZDMMRGLIAMXFAW-SSDOTTSWSA-N -1 1 317.396 0.368 20 0 DCADMM C[C@H](CN1CCOCC1)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589849129 1166700571 /nfs/dbraw/zinc/70/05/71/1166700571.db2.gz YMRYCPMPAOUGAJ-SNVBAGLBSA-N -1 1 320.353 0.252 20 0 DCADMM C[C@H](CN1CCOCC1)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589849129 1166700577 /nfs/dbraw/zinc/70/05/77/1166700577.db2.gz YMRYCPMPAOUGAJ-SNVBAGLBSA-N -1 1 320.353 0.252 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589857919 1166700743 /nfs/dbraw/zinc/70/07/43/1166700743.db2.gz GELRDRNGLQVPRH-HRDYMLBCSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589857919 1166700748 /nfs/dbraw/zinc/70/07/48/1166700748.db2.gz GELRDRNGLQVPRH-HRDYMLBCSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](CN1CCCC1=O)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589849531 1166701238 /nfs/dbraw/zinc/70/12/38/1166701238.db2.gz PQQKXGHGBQQEFP-MRVPVSSYSA-N -1 1 320.378 0.669 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N1CCCCC1=O ZINC001589878567 1166704441 /nfs/dbraw/zinc/70/44/41/1166704441.db2.gz BPKYCORIRXBEPR-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N1CCCCC1=O ZINC001589878567 1166704445 /nfs/dbraw/zinc/70/44/45/1166704445.db2.gz BPKYCORIRXBEPR-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM C[C@](CO)(NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589881238 1166705121 /nfs/dbraw/zinc/70/51/21/1166705121.db2.gz HGQRLWNRUPDIOO-CYBMUJFWSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@](CO)(NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589881238 1166705125 /nfs/dbraw/zinc/70/51/25/1166705125.db2.gz HGQRLWNRUPDIOO-CYBMUJFWSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589883023 1166706800 /nfs/dbraw/zinc/70/68/00/1166706800.db2.gz BDRBTQQILKQDDS-IUCAKERBSA-N -1 1 307.310 0.384 20 0 DCADMM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589883023 1166706803 /nfs/dbraw/zinc/70/68/03/1166706803.db2.gz BDRBTQQILKQDDS-IUCAKERBSA-N -1 1 307.310 0.384 20 0 DCADMM C[C@H](C[S@](C)=O)N(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589889390 1166712157 /nfs/dbraw/zinc/71/21/57/1166712157.db2.gz RHDARWXCBMVXJU-PJLCYMMNSA-N -1 1 321.410 0.737 20 0 DCADMM C[C@H](C[S@](C)=O)N(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589889390 1166712164 /nfs/dbraw/zinc/71/21/64/1166712164.db2.gz RHDARWXCBMVXJU-PJLCYMMNSA-N -1 1 321.410 0.737 20 0 DCADMM C[C@@H](Cc1cccnc1)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589901283 1166713496 /nfs/dbraw/zinc/71/34/96/1166713496.db2.gz KQNCFHBCEXFGIG-NSHDSACASA-N -1 1 323.360 0.947 20 0 DCADMM C[C@@H](Cc1cccnc1)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589901283 1166713502 /nfs/dbraw/zinc/71/35/02/1166713502.db2.gz KQNCFHBCEXFGIG-NSHDSACASA-N -1 1 323.360 0.947 20 0 DCADMM CC(F)(F)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001589906158 1166713873 /nfs/dbraw/zinc/71/38/73/1166713873.db2.gz LZGHBFUWWNFSIC-UHFFFAOYSA-N -1 1 323.307 0.566 20 0 DCADMM CC(F)(F)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001589906158 1166713880 /nfs/dbraw/zinc/71/38/80/1166713880.db2.gz LZGHBFUWWNFSIC-UHFFFAOYSA-N -1 1 323.307 0.566 20 0 DCADMM C[C@@H]([N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)C(F)F ZINC001589973691 1166731693 /nfs/dbraw/zinc/73/16/93/1166731693.db2.gz IRRVBUIGYFUDIE-SSDOTTSWSA-N -1 1 317.321 0.940 20 0 DCADMM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1nnc2n1CCC2 ZINC001589971596 1166732541 /nfs/dbraw/zinc/73/25/41/1166732541.db2.gz YOXSFXHUNPLULJ-MRVPVSSYSA-N -1 1 300.326 0.848 20 0 DCADMM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1nnc2n1CCC2 ZINC001589971596 1166732548 /nfs/dbraw/zinc/73/25/48/1166732548.db2.gz YOXSFXHUNPLULJ-MRVPVSSYSA-N -1 1 300.326 0.848 20 0 DCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1(C)CC1 ZINC001589976376 1166735561 /nfs/dbraw/zinc/73/55/61/1166735561.db2.gz RFCQLYTVVMLGGG-QMMMGPOBSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1(C)CC1 ZINC001589976376 1166735566 /nfs/dbraw/zinc/73/55/66/1166735566.db2.gz RFCQLYTVVMLGGG-QMMMGPOBSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@@H](O)C[C@@H](C)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589999762 1166745985 /nfs/dbraw/zinc/74/59/85/1166745985.db2.gz ZWTPDNLYOZAGKW-NXEZZACHSA-N -1 1 304.354 0.327 20 0 DCADMM C[C@@H](O)C[C@@H](C)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589999762 1166745989 /nfs/dbraw/zinc/74/59/89/1166745989.db2.gz ZWTPDNLYOZAGKW-NXEZZACHSA-N -1 1 304.354 0.327 20 0 DCADMM C[C@H](O)CN(C)c1cc(Br)cnc1-c1nnn[n-]1 ZINC001590000708 1166747743 /nfs/dbraw/zinc/74/77/43/1166747743.db2.gz PMLYZLRKQSOCHI-LURJTMIESA-N -1 1 313.159 0.841 20 0 DCADMM C[C@H](O)CN(C)c1cc(Br)cnc1-c1nn[n-]n1 ZINC001590000708 1166747745 /nfs/dbraw/zinc/74/77/45/1166747745.db2.gz PMLYZLRKQSOCHI-LURJTMIESA-N -1 1 313.159 0.841 20 0 DCADMM C[C@@H](O)[C@H]1CCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590001115 1166748530 /nfs/dbraw/zinc/74/85/30/1166748530.db2.gz KDYRBEXIMAFIBE-VXNVDRBHSA-N -1 1 323.382 0.378 20 0 DCADMM C[C@@H](O)[C@H]1CCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590001115 1166748532 /nfs/dbraw/zinc/74/85/32/1166748532.db2.gz KDYRBEXIMAFIBE-VXNVDRBHSA-N -1 1 323.382 0.378 20 0 DCADMM CC1(C(=O)NCCCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001590067641 1166762757 /nfs/dbraw/zinc/76/27/57/1166762757.db2.gz JCWPGVJYYFEMOC-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CC1(C(=O)NCCCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001590067641 1166762760 /nfs/dbraw/zinc/76/27/60/1166762760.db2.gz JCWPGVJYYFEMOC-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CC1(C)[C@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)[C@H]2CCO[C@H]21 ZINC001590077269 1166767347 /nfs/dbraw/zinc/76/73/47/1166767347.db2.gz ROADHAASXZNHNG-YUSALJHKSA-N -1 1 314.349 0.805 20 0 DCADMM CC1(C)[C@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)[C@H]2CCO[C@H]21 ZINC001590077269 1166767350 /nfs/dbraw/zinc/76/73/50/1166767350.db2.gz ROADHAASXZNHNG-YUSALJHKSA-N -1 1 314.349 0.805 20 0 DCADMM CC1(C)CC[C@H](CO)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590089711 1166771651 /nfs/dbraw/zinc/77/16/51/1166771651.db2.gz CEZHQHIJJQNVAT-SNVBAGLBSA-N -1 1 316.365 0.885 20 0 DCADMM CC1(C)CC[C@H](CO)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590089711 1166771658 /nfs/dbraw/zinc/77/16/58/1166771658.db2.gz CEZHQHIJJQNVAT-SNVBAGLBSA-N -1 1 316.365 0.885 20 0 DCADMM CC1(C)CNC(=O)[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001590108916 1166773151 /nfs/dbraw/zinc/77/31/51/1166773151.db2.gz AQCMEXBWCNXVDO-RXMQYKEDSA-N -1 1 313.774 0.913 20 0 DCADMM CC1(C)CNC(=O)[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001590108916 1166773155 /nfs/dbraw/zinc/77/31/55/1166773155.db2.gz AQCMEXBWCNXVDO-RXMQYKEDSA-N -1 1 313.774 0.913 20 0 DCADMM CC1(C)COCCN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590110942 1166776619 /nfs/dbraw/zinc/77/66/19/1166776619.db2.gz BWYZCYOXQXBLOR-UHFFFAOYSA-N -1 1 324.366 0.061 20 0 DCADMM CC1(C)COC(=O)[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590112621 1166779609 /nfs/dbraw/zinc/77/96/09/1166779609.db2.gz LGVVWQGRRLUDFE-MRVPVSSYSA-N -1 1 307.335 0.610 20 0 DCADMM CC1(C)COC(=O)[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590112621 1166779617 /nfs/dbraw/zinc/77/96/17/1166779617.db2.gz LGVVWQGRRLUDFE-MRVPVSSYSA-N -1 1 307.335 0.610 20 0 DCADMM C[C@]1(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CCOC1 ZINC001590145541 1166788234 /nfs/dbraw/zinc/78/82/34/1166788234.db2.gz MTDSCMPWQVCBJG-LBPRGKRZSA-N -1 1 308.729 0.824 20 0 DCADMM C[C@H]1C(=O)N(C)CCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590163928 1166796946 /nfs/dbraw/zinc/79/69/46/1166796946.db2.gz MGULQKOTMZCVCY-QMMMGPOBSA-N -1 1 314.353 0.201 20 0 DCADMM C[C@H]1C(=O)N(C)CCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590163928 1166796953 /nfs/dbraw/zinc/79/69/53/1166796953.db2.gz MGULQKOTMZCVCY-QMMMGPOBSA-N -1 1 314.353 0.201 20 0 DCADMM C[C@H]1C[C@@H](CO)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590191096 1166802875 /nfs/dbraw/zinc/80/28/75/1166802875.db2.gz DNXFRWPFHXUCGC-VHSXEESVSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@H]1C[C@@H](CO)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590191096 1166802879 /nfs/dbraw/zinc/80/28/79/1166802879.db2.gz DNXFRWPFHXUCGC-VHSXEESVSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@@H]1C[C@H](CO)CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590194706 1166805986 /nfs/dbraw/zinc/80/59/86/1166805986.db2.gz YCLIBUKSFUAANE-ZJUUUORDSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@@H]1C[C@H](CO)CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590194706 1166805992 /nfs/dbraw/zinc/80/59/92/1166805992.db2.gz YCLIBUKSFUAANE-ZJUUUORDSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@H]1C[C@@H](CO)CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590194704 1166807128 /nfs/dbraw/zinc/80/71/28/1166807128.db2.gz YCLIBUKSFUAANE-VHSXEESVSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@H]1C[C@@H](CO)CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590194704 1166807132 /nfs/dbraw/zinc/80/71/32/1166807132.db2.gz YCLIBUKSFUAANE-VHSXEESVSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@H]1C[C@H](C)N(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590192961 1166807191 /nfs/dbraw/zinc/80/71/91/1166807191.db2.gz YOHIEBWUAMCVLW-IUCAKERBSA-N -1 1 308.367 0.681 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)c2ncnn21 ZINC001590203247 1166813579 /nfs/dbraw/zinc/81/35/79/1166813579.db2.gz PCXMAGUGQXWEMI-XCBNKYQSSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)c2ncnn21 ZINC001590203247 1166813586 /nfs/dbraw/zinc/81/35/86/1166813586.db2.gz PCXMAGUGQXWEMI-XCBNKYQSSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001590242370 1166826975 /nfs/dbraw/zinc/82/69/75/1166826975.db2.gz GFYSMWYQDNRAIA-NXEZZACHSA-N -1 1 317.353 0.213 20 0 DCADMM C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590246114 1166827046 /nfs/dbraw/zinc/82/70/46/1166827046.db2.gz BNYFLLOGVDBUGG-RKDXNWHRSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@@H]1CCCN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590262033 1166828578 /nfs/dbraw/zinc/82/85/78/1166828578.db2.gz UEAIOUVHMMDGMM-NXEZZACHSA-N -1 1 319.373 0.288 20 0 DCADMM C[C@H]1CCc2nc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cn2C1 ZINC001590280397 1166840613 /nfs/dbraw/zinc/84/06/13/1166840613.db2.gz BQVNPSKGGZCHRB-ZETCQYMHSA-N -1 1 313.325 0.113 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H](CO)O1 ZINC001590299995 1166847513 /nfs/dbraw/zinc/84/75/13/1166847513.db2.gz OOKPLRJPFWJARN-BDAKNGLRSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H](CO)O1 ZINC001590299995 1166847518 /nfs/dbraw/zinc/84/75/18/1166847518.db2.gz OOKPLRJPFWJARN-BDAKNGLRSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)CCCO1 ZINC001590311169 1166858307 /nfs/dbraw/zinc/85/83/07/1166858307.db2.gz WBMXPUWQNMCWIC-QMMMGPOBSA-N -1 1 313.339 0.259 20 0 DCADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)ncn2)C[C@@]2(CCOC2)O1 ZINC001590313925 1166858317 /nfs/dbraw/zinc/85/83/17/1166858317.db2.gz PAWHIIIEPMTMLO-TVQRCGJNSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)ncn2)C[C@@]2(CCOC2)O1 ZINC001590313925 1166858344 /nfs/dbraw/zinc/85/83/44/1166858344.db2.gz PAWHIIIEPMTMLO-TVQRCGJNSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@](C)(C(F)F)O1 ZINC001590312727 1166858381 /nfs/dbraw/zinc/85/83/81/1166858381.db2.gz PVBGCKPFWMNMLO-KRTXAFLBSA-N -1 1 311.296 0.906 20 0 DCADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@](C)(C(F)F)O1 ZINC001590312727 1166858386 /nfs/dbraw/zinc/85/83/86/1166858386.db2.gz PVBGCKPFWMNMLO-KRTXAFLBSA-N -1 1 311.296 0.906 20 0 DCADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@]2(CCCOC2)O1 ZINC001590315151 1166859540 /nfs/dbraw/zinc/85/95/40/1166859540.db2.gz FQNXPUPUDCFOJT-YGRLFVJLSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@]2(CCCOC2)O1 ZINC001590315151 1166859548 /nfs/dbraw/zinc/85/95/48/1166859548.db2.gz FQNXPUPUDCFOJT-YGRLFVJLSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2C)C[C@H]1C ZINC001590320134 1166861778 /nfs/dbraw/zinc/86/17/78/1166861778.db2.gz KFEJKFQVLIWGLG-OCAPTIKFSA-N -1 1 314.357 0.478 20 0 DCADMM C[C@H]1SCC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590337204 1166873105 /nfs/dbraw/zinc/87/31/05/1166873105.db2.gz OCBTVUZCBNHOKY-SCZZXKLOSA-N -1 1 304.379 0.814 20 0 DCADMM C[C@H]1SCC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590337204 1166873114 /nfs/dbraw/zinc/87/31/14/1166873114.db2.gz OCBTVUZCBNHOKY-SCZZXKLOSA-N -1 1 304.379 0.814 20 0 DCADMM C[C@@H]1c2nncn2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590340075 1166875601 /nfs/dbraw/zinc/87/56/01/1166875601.db2.gz ZSPVORGOPPMPHM-MRVPVSSYSA-N -1 1 311.309 0.070 20 0 DCADMM C[C@@H]1c2nncn2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590340075 1166875604 /nfs/dbraw/zinc/87/56/04/1166875604.db2.gz ZSPVORGOPPMPHM-MRVPVSSYSA-N -1 1 311.309 0.070 20 0 DCADMM C/C=C(/C)C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590350413 1166878392 /nfs/dbraw/zinc/87/83/92/1166878392.db2.gz RLKGJGZYKBMASH-USYJTPIQSA-N -1 1 302.342 0.540 20 0 DCADMM C/C=C(/C)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590350413 1166878396 /nfs/dbraw/zinc/87/83/96/1166878396.db2.gz RLKGJGZYKBMASH-USYJTPIQSA-N -1 1 302.342 0.540 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001590361093 1166884569 /nfs/dbraw/zinc/88/45/69/1166884569.db2.gz SIZNZPAYHUXLFT-VHSXEESVSA-N -1 1 316.369 0.280 20 0 DCADMM CCC(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590361032 1166884671 /nfs/dbraw/zinc/88/46/71/1166884671.db2.gz KMPQUPZURCROFN-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590361032 1166884681 /nfs/dbraw/zinc/88/46/81/1166884681.db2.gz KMPQUPZURCROFN-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N[C@H](C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590363535 1166886666 /nfs/dbraw/zinc/88/66/66/1166886666.db2.gz GQXBUFMFMUJSCC-SECBINFHSA-N -1 1 304.358 0.185 20 0 DCADMM CCC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590375095 1166892034 /nfs/dbraw/zinc/89/20/34/1166892034.db2.gz SQYHUJOLGCGYPC-CYBMUJFWSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590375095 1166892038 /nfs/dbraw/zinc/89/20/38/1166892038.db2.gz SQYHUJOLGCGYPC-CYBMUJFWSA-N -1 1 302.342 0.152 20 0 DCADMM CC[C@H](C)[C@@H](COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)OC ZINC001590400277 1166897665 /nfs/dbraw/zinc/89/76/65/1166897665.db2.gz OYNKCSYMBXDWIY-LPEHRKFASA-N -1 1 323.357 0.624 20 0 DCADMM CC[C@H](C)NC(=O)CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590412426 1166901541 /nfs/dbraw/zinc/90/15/41/1166901541.db2.gz KMXDXKZRNFLDKL-VIFPVBQESA-N -1 1 317.353 0.296 20 0 DCADMM CC[C@H](C)NC(=O)CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590412426 1166901549 /nfs/dbraw/zinc/90/15/49/1166901549.db2.gz KMXDXKZRNFLDKL-VIFPVBQESA-N -1 1 317.353 0.296 20 0 DCADMM CC[C@@H](C)c1nnc([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)[nH]1 ZINC001590416919 1166902535 /nfs/dbraw/zinc/90/25/35/1166902535.db2.gz GERKVAHBXKQOFX-SFYZADRCSA-N -1 1 314.357 0.883 20 0 DCADMM CC[C@@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(=O)OC ZINC001590441811 1166905293 /nfs/dbraw/zinc/90/52/93/1166905293.db2.gz KZCJMZGIHSUNJN-QMMMGPOBSA-N -1 1 322.325 0.021 20 0 DCADMM CC[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(=O)OC ZINC001590441811 1166905299 /nfs/dbraw/zinc/90/52/99/1166905299.db2.gz KZCJMZGIHSUNJN-QMMMGPOBSA-N -1 1 322.325 0.021 20 0 DCADMM CC[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ncc[nH]1 ZINC001590455095 1166913235 /nfs/dbraw/zinc/91/32/35/1166913235.db2.gz GAOOAASDBGOCCH-YUMQZZPRSA-N -1 1 316.329 0.010 20 0 DCADMM CC[C@@](O)(Cn1cnc(-c2nn[n-]n2)cc1=O)C(F)(F)F ZINC001590476298 1166919883 /nfs/dbraw/zinc/91/98/83/1166919883.db2.gz UTHVTYYBLCGFRZ-SECBINFHSA-N -1 1 304.232 0.127 20 0 DCADMM CC[C@@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)C[C@H](C)[S@@]1=O ZINC001590520938 1166930142 /nfs/dbraw/zinc/93/01/42/1166930142.db2.gz AIBHBGBINSQGPS-YEAUUJKJSA-N -1 1 320.422 0.993 20 0 DCADMM CC[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)C[C@H](C)[S@@]1=O ZINC001590520938 1166930145 /nfs/dbraw/zinc/93/01/45/1166930145.db2.gz AIBHBGBINSQGPS-YEAUUJKJSA-N -1 1 320.422 0.993 20 0 DCADMM CC[C@H]1CO[C@H](C)CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590524743 1166932758 /nfs/dbraw/zinc/93/27/58/1166932758.db2.gz RZTAJSZAISFDLH-ZJUUUORDSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@H]1CO[C@H](C)CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590524743 1166932764 /nfs/dbraw/zinc/93/27/64/1166932764.db2.gz RZTAJSZAISFDLH-ZJUUUORDSA-N -1 1 302.338 0.901 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590537235 1166939566 /nfs/dbraw/zinc/93/95/66/1166939566.db2.gz AXRIKAYHACWBSW-VIFPVBQESA-N -1 1 302.342 0.152 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590537235 1166939572 /nfs/dbraw/zinc/93/95/72/1166939572.db2.gz AXRIKAYHACWBSW-VIFPVBQESA-N -1 1 302.342 0.152 20 0 DCADMM CCC[C@H](CCO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590555551 1166941528 /nfs/dbraw/zinc/94/15/28/1166941528.db2.gz DEELMRASVBGBTJ-MRVPVSSYSA-N -1 1 308.346 0.273 20 0 DCADMM CCC[C@H](CCO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590555551 1166941530 /nfs/dbraw/zinc/94/15/30/1166941530.db2.gz DEELMRASVBGBTJ-MRVPVSSYSA-N -1 1 308.346 0.273 20 0 DCADMM CCC[C@H](O)CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590561371 1166943780 /nfs/dbraw/zinc/94/37/80/1166943780.db2.gz YECLUZCDEVIENL-VIFPVBQESA-N -1 1 305.342 0.934 20 0 DCADMM CCC[C@H](O)CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590561371 1166943787 /nfs/dbraw/zinc/94/37/87/1166943787.db2.gz YECLUZCDEVIENL-VIFPVBQESA-N -1 1 305.342 0.934 20 0 DCADMM CCC[C@@H](O)[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590559449 1166944537 /nfs/dbraw/zinc/94/45/37/1166944537.db2.gz GRKYNLPDDSNXHX-PHDIDXHHSA-N -1 1 318.790 0.910 20 0 DCADMM CCC[C@@H](O)[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590559449 1166944539 /nfs/dbraw/zinc/94/45/39/1166944539.db2.gz GRKYNLPDDSNXHX-PHDIDXHHSA-N -1 1 318.790 0.910 20 0 DCADMM CCC[C@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCO1 ZINC001590569765 1166945536 /nfs/dbraw/zinc/94/55/36/1166945536.db2.gz UZTYOXSVKBEKNF-NSHDSACASA-N -1 1 304.354 0.487 20 0 DCADMM CCCC[C@H](C)N(C)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590576878 1166946408 /nfs/dbraw/zinc/94/64/08/1166946408.db2.gz IGADUBDTKMPDTQ-JTQLQIEISA-N -1 1 321.389 0.678 20 0 DCADMM CCCN(CC(C)(C)O)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590621878 1166951403 /nfs/dbraw/zinc/95/14/03/1166951403.db2.gz ZOHBAEJCHVESQC-UHFFFAOYSA-N -1 1 318.381 0.814 20 0 DCADMM CCCN(CC(C)(C)O)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590621878 1166951409 /nfs/dbraw/zinc/95/14/09/1166951409.db2.gz ZOHBAEJCHVESQC-UHFFFAOYSA-N -1 1 318.381 0.814 20 0 DCADMM CCCNC(=O)CCC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590637016 1166957714 /nfs/dbraw/zinc/95/77/14/1166957714.db2.gz GSDLLHFSEVJSOS-UHFFFAOYSA-N -1 1 307.310 0.809 20 0 DCADMM CCCNC(=O)CCC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590637016 1166957718 /nfs/dbraw/zinc/95/77/18/1166957718.db2.gz GSDLLHFSEVJSOS-UHFFFAOYSA-N -1 1 307.310 0.809 20 0 DCADMM CCCn1c(CO)nnc1Sc1cnc(-c2nnn[n-]2)cn1 ZINC001590662194 1166961609 /nfs/dbraw/zinc/96/16/09/1166961609.db2.gz JWXCFCYSJDUPCN-UHFFFAOYSA-N -1 1 319.354 0.302 20 0 DCADMM CCCn1c(CO)nnc1Sc1cnc(-c2nn[n-]n2)cn1 ZINC001590662194 1166961616 /nfs/dbraw/zinc/96/16/16/1166961616.db2.gz JWXCFCYSJDUPCN-UHFFFAOYSA-N -1 1 319.354 0.302 20 0 DCADMM CCN([C@@H]1CCOC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590680116 1166968507 /nfs/dbraw/zinc/96/85/07/1166968507.db2.gz VVXCEBDPAURWEK-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM CCN([C@@H]1CCOC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590680116 1166968510 /nfs/dbraw/zinc/96/85/10/1166968510.db2.gz VVXCEBDPAURWEK-SECBINFHSA-N -1 1 324.366 0.061 20 0 DCADMM CCN(CCO)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590714692 1166979192 /nfs/dbraw/zinc/97/91/92/1166979192.db2.gz PPERNYXPBQWONX-UHFFFAOYSA-N -1 1 307.314 0.116 20 0 DCADMM CCN1C[C@@H](COC(=O)c2csc(-c3nnn[n-]3)c2)OC1=O ZINC001590730933 1166987183 /nfs/dbraw/zinc/98/71/83/1166987183.db2.gz WKJSQKVCKIGIMO-QMMMGPOBSA-N -1 1 323.334 0.926 20 0 DCADMM CCN1C[C@@H](COC(=O)c2csc(-c3nn[n-]n3)c2)OC1=O ZINC001590730933 1166987186 /nfs/dbraw/zinc/98/71/86/1166987186.db2.gz WKJSQKVCKIGIMO-QMMMGPOBSA-N -1 1 323.334 0.926 20 0 DCADMM CCN1CCCN(Cc2nc(-c3nnn[n-]3)cs2)CC1=O ZINC001590731796 1166990623 /nfs/dbraw/zinc/99/06/23/1166990623.db2.gz CDYYKLXZWYDCRK-UHFFFAOYSA-N -1 1 307.383 0.377 20 0 DCADMM CCN1CCCN(Cc2nc(-c3nn[n-]n3)cs2)CC1=O ZINC001590731796 1166990633 /nfs/dbraw/zinc/99/06/33/1166990633.db2.gz CDYYKLXZWYDCRK-UHFFFAOYSA-N -1 1 307.383 0.377 20 0 DCADMM CCOC(=O)C(C)(C)ONC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590749471 1167003023 /nfs/dbraw/zinc/00/30/23/1167003023.db2.gz ACQRPTDBLITARH-UHFFFAOYSA-N -1 1 320.309 0.265 20 0 DCADMM CCOC(=O)C(C)(C)ONC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590749471 1167003029 /nfs/dbraw/zinc/00/30/29/1167003029.db2.gz ACQRPTDBLITARH-UHFFFAOYSA-N -1 1 320.309 0.265 20 0 DCADMM CCOC(=O)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001590754225 1167004891 /nfs/dbraw/zinc/00/48/91/1167004891.db2.gz SOXLWPQFEGFGPA-NSHDSACASA-N -1 1 317.305 0.760 20 0 DCADMM CCOC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001590754225 1167004906 /nfs/dbraw/zinc/00/49/06/1167004906.db2.gz SOXLWPQFEGFGPA-NSHDSACASA-N -1 1 317.305 0.760 20 0 DCADMM CCOC(=O)[C@H](F)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590753557 1167005234 /nfs/dbraw/zinc/00/52/34/1167005234.db2.gz MSIIHZPTUZREMR-DTWKUNHWSA-N -1 1 321.316 0.384 20 0 DCADMM CCOC(=O)[C@H](F)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590753557 1167005237 /nfs/dbraw/zinc/00/52/37/1167005237.db2.gz MSIIHZPTUZREMR-DTWKUNHWSA-N -1 1 321.316 0.384 20 0 DCADMM CCOC(=O)C1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CCC1 ZINC001590755499 1167009811 /nfs/dbraw/zinc/00/98/11/1167009811.db2.gz XBEJHGPJNRRFAX-UHFFFAOYSA-N -1 1 319.321 0.923 20 0 DCADMM CCOC(=O)C1(CNC(=O)c2coc(-c3nn[n-]n3)c2)CCC1 ZINC001590755499 1167009817 /nfs/dbraw/zinc/00/98/17/1167009817.db2.gz XBEJHGPJNRRFAX-UHFFFAOYSA-N -1 1 319.321 0.923 20 0 DCADMM CCOC(=O)c1cnn(Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001590775942 1167015358 /nfs/dbraw/zinc/01/53/58/1167015358.db2.gz YMSCWRGJBUWMKZ-UHFFFAOYSA-N -1 1 300.282 0.078 20 0 DCADMM CCOC(=O)c1cnn(Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001590775942 1167015364 /nfs/dbraw/zinc/01/53/64/1167015364.db2.gz YMSCWRGJBUWMKZ-UHFFFAOYSA-N -1 1 300.282 0.078 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1COc1ccc(F)nc1-c1nnn[n-]1 ZINC001590770964 1167015895 /nfs/dbraw/zinc/01/58/95/1167015895.db2.gz ZMYXHLMZEUDHRV-JGVFFNPUSA-N -1 1 307.285 0.979 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001590770964 1167015898 /nfs/dbraw/zinc/01/58/98/1167015898.db2.gz ZMYXHLMZEUDHRV-JGVFFNPUSA-N -1 1 307.285 0.979 20 0 DCADMM CCOC(=O)c1cnn(Cc2ncc(CC)o2)c1-c1nn[n-]n1 ZINC001590777896 1167018790 /nfs/dbraw/zinc/01/87/90/1167018790.db2.gz QUSLDRQCDRJLPS-UHFFFAOYSA-N -1 1 317.309 0.839 20 0 DCADMM CCO[C@@H]1C[C@H](NC(=O)c2csc(-c3nn[n-]n3)c2)[C@@H]1OC ZINC001590790797 1167020795 /nfs/dbraw/zinc/02/07/95/1167020795.db2.gz FGCRUPZMXZUTCP-NGZCFLSTSA-N -1 1 323.378 0.850 20 0 DCADMM CCO[C@@H]1COCC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590797081 1167023206 /nfs/dbraw/zinc/02/32/06/1167023206.db2.gz UOOOKHNYNUMLIC-NXEZZACHSA-N -1 1 323.378 0.852 20 0 DCADMM CCO[N-]C(=O)CNCc1cc(-c2nn[nH]n2)cnc1Cl ZINC001590818744 1167031704 /nfs/dbraw/zinc/03/17/04/1167031704.db2.gz JXFRPEATOMBSPQ-UHFFFAOYSA-N -1 1 311.733 0.072 20 0 DCADMM CCOc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)on1 ZINC001590826115 1167034561 /nfs/dbraw/zinc/03/45/61/1167034561.db2.gz UZXHJJASVSCLCK-UHFFFAOYSA-N -1 1 304.270 0.239 20 0 DCADMM CCS(=O)(=O)C[C@H](C)N(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001590847910 1167035469 /nfs/dbraw/zinc/03/54/69/1167035469.db2.gz XFPRYEZXVPFMKU-VIFPVBQESA-N -1 1 310.383 0.521 20 0 DCADMM CCS(=O)(=O)C[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001590847910 1167035473 /nfs/dbraw/zinc/03/54/73/1167035473.db2.gz XFPRYEZXVPFMKU-VIFPVBQESA-N -1 1 310.383 0.521 20 0 DCADMM CCc1nc(NC[C@@]2(OC)CCOC2)cc(-c2nnn[n-]2)n1 ZINC001590918104 1167050871 /nfs/dbraw/zinc/05/08/71/1167050871.db2.gz QBWSSAPPEZREEO-ZDUSSCGKSA-N -1 1 305.342 0.437 20 0 DCADMM CCc1nc(NC[C@@]2(OC)CCOC2)cc(-c2nn[n-]n2)n1 ZINC001590918104 1167050875 /nfs/dbraw/zinc/05/08/75/1167050875.db2.gz QBWSSAPPEZREEO-ZDUSSCGKSA-N -1 1 305.342 0.437 20 0 DCADMM CCc1nc(NC[C@@H](O)[C@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001590917557 1167051843 /nfs/dbraw/zinc/05/18/43/1167051843.db2.gz QYSVLQRTKHAWOE-NXEZZACHSA-N -1 1 305.342 0.171 20 0 DCADMM CCc1nc(NC[C@@H](O)[C@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001590917557 1167051849 /nfs/dbraw/zinc/05/18/49/1167051849.db2.gz QYSVLQRTKHAWOE-NXEZZACHSA-N -1 1 305.342 0.171 20 0 DCADMM CCc1nn(Cc2cnns2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929696 1167054345 /nfs/dbraw/zinc/05/43/45/1167054345.db2.gz MVQCWZJOKCDIOI-UHFFFAOYSA-N -1 1 318.366 0.448 20 0 DCADMM CCn1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1=O ZINC001590959863 1167059006 /nfs/dbraw/zinc/05/90/06/1167059006.db2.gz XGHIAZVLQLNHJU-UHFFFAOYSA-N -1 1 314.305 0.571 20 0 DCADMM CCn1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1=O ZINC001590959863 1167059009 /nfs/dbraw/zinc/05/90/09/1167059009.db2.gz XGHIAZVLQLNHJU-UHFFFAOYSA-N -1 1 314.305 0.571 20 0 DCADMM CCn1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC001590954374 1167059384 /nfs/dbraw/zinc/05/93/84/1167059384.db2.gz UUGXYBZXEGSMET-UHFFFAOYSA-N -1 1 316.329 0.138 20 0 DCADMM CCn1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC001590954374 1167059389 /nfs/dbraw/zinc/05/93/89/1167059389.db2.gz UUGXYBZXEGSMET-UHFFFAOYSA-N -1 1 316.329 0.138 20 0 DCADMM CCn1ncc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1C ZINC001590966988 1167062623 /nfs/dbraw/zinc/06/26/23/1167062623.db2.gz FLXIVWCSTLTDFH-UHFFFAOYSA-N -1 1 312.337 0.717 20 0 DCADMM CCn1ncc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1C ZINC001590966988 1167062631 /nfs/dbraw/zinc/06/26/31/1167062631.db2.gz FLXIVWCSTLTDFH-UHFFFAOYSA-N -1 1 312.337 0.717 20 0 DCADMM CCn1nncc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590971908 1167063317 /nfs/dbraw/zinc/06/33/17/1167063317.db2.gz JOHOCAPOUXWIKN-UHFFFAOYSA-N -1 1 305.323 0.897 20 0 DCADMM CCn1nncc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590971908 1167063321 /nfs/dbraw/zinc/06/33/21/1167063321.db2.gz JOHOCAPOUXWIKN-UHFFFAOYSA-N -1 1 305.323 0.897 20 0 DCADMM CCn1nncc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590972854 1167063335 /nfs/dbraw/zinc/06/33/35/1167063335.db2.gz FMUGHZWBZFFNIT-UHFFFAOYSA-N -1 1 300.282 0.436 20 0 DCADMM CN(C(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1(CO)CCC1 ZINC001590985445 1167066642 /nfs/dbraw/zinc/06/66/42/1167066642.db2.gz OQBHDOHEWITRPO-UHFFFAOYSA-N -1 1 303.326 0.640 20 0 DCADMM CN(C(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1(CO)CCC1 ZINC001590985445 1167066647 /nfs/dbraw/zinc/06/66/47/1167066647.db2.gz OQBHDOHEWITRPO-UHFFFAOYSA-N -1 1 303.326 0.640 20 0 DCADMM CN(Cc1ncccn1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591152972 1167118987 /nfs/dbraw/zinc/11/89/87/1167118987.db2.gz YLWPOXFJLWRDEE-UHFFFAOYSA-N -1 1 301.335 0.990 20 0 DCADMM CN(Cc1ncccn1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591152972 1167118991 /nfs/dbraw/zinc/11/89/91/1167118991.db2.gz YLWPOXFJLWRDEE-UHFFFAOYSA-N -1 1 301.335 0.990 20 0 DCADMM CN1C[C@@H](COC(=O)c2cccc(F)c2-c2nnn[n-]2)CC1=O ZINC001591172956 1167126943 /nfs/dbraw/zinc/12/69/43/1167126943.db2.gz YOHAKZKEAVZTLM-QMMMGPOBSA-N -1 1 319.296 0.641 20 0 DCADMM CN1C[C@@H](COC(=O)c2cccc(F)c2-c2nn[n-]n2)CC1=O ZINC001591172956 1167126945 /nfs/dbraw/zinc/12/69/45/1167126945.db2.gz YOHAKZKEAVZTLM-QMMMGPOBSA-N -1 1 319.296 0.641 20 0 DCADMM CN=[S@@](C)(=O)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591198627 1167147587 /nfs/dbraw/zinc/14/75/87/1167147587.db2.gz HFNUUVGMQJIFIU-FQEVSTJZSA-N -1 1 314.396 0.386 20 0 DCADMM CNC(=O)CC1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001591205409 1167154553 /nfs/dbraw/zinc/15/45/53/1167154553.db2.gz XDXCKJLSBINQDH-UHFFFAOYSA-N -1 1 321.410 0.671 20 0 DCADMM CNC(=O)CC1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001591205409 1167154560 /nfs/dbraw/zinc/15/45/60/1167154560.db2.gz XDXCKJLSBINQDH-UHFFFAOYSA-N -1 1 321.410 0.671 20 0 DCADMM CNC(=O)C[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591204737 1167155953 /nfs/dbraw/zinc/15/59/53/1167155953.db2.gz QYPUXVFRXFUMDD-SCSAIBSYSA-N -1 1 301.763 0.913 20 0 DCADMM CNC(=O)C[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591204737 1167155955 /nfs/dbraw/zinc/15/59/55/1167155955.db2.gz QYPUXVFRXFUMDD-SCSAIBSYSA-N -1 1 301.763 0.913 20 0 DCADMM COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001591248245 1167176721 /nfs/dbraw/zinc/17/67/21/1167176721.db2.gz KJRFKIMJVSBFFR-CBAPKCEASA-N -1 1 309.351 0.036 20 0 DCADMM COC(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591257329 1167182237 /nfs/dbraw/zinc/18/22/37/1167182237.db2.gz YXVKVFLIUOYHFA-DTWKUNHWSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591257329 1167182241 /nfs/dbraw/zinc/18/22/41/1167182241.db2.gz YXVKVFLIUOYHFA-DTWKUNHWSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)CCCC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001591262975 1167186560 /nfs/dbraw/zinc/18/65/60/1167186560.db2.gz LEXBKYYNCKQVMQ-UHFFFAOYSA-N -1 1 307.314 0.190 20 0 DCADMM COC(=O)CCCC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001591262975 1167186564 /nfs/dbraw/zinc/18/65/64/1167186564.db2.gz LEXBKYYNCKQVMQ-UHFFFAOYSA-N -1 1 307.314 0.190 20 0 DCADMM COC(=O)[C@@]1(C)CN(c2ncncc2-c2nn[n-]n2)C[C@@H]1C ZINC001591282400 1167197416 /nfs/dbraw/zinc/19/74/16/1167197416.db2.gz RUYDRLDGHCKWEK-SDBXPKJASA-N -1 1 303.326 0.292 20 0 DCADMM COC(=O)c1ccc(N[C@@H]2C[C@H](O)C2(C)C)c(-c2nnn[n-]2)n1 ZINC001591296768 1167202393 /nfs/dbraw/zinc/20/23/93/1167202393.db2.gz XZYMTRUEGRWJHI-ZJUUUORDSA-N -1 1 318.337 0.620 20 0 DCADMM COC(=O)c1ccc(N[C@@H]2C[C@H](O)C2(C)C)c(-c2nn[n-]n2)n1 ZINC001591296768 1167202398 /nfs/dbraw/zinc/20/23/98/1167202398.db2.gz XZYMTRUEGRWJHI-ZJUUUORDSA-N -1 1 318.337 0.620 20 0 DCADMM COC(=O)c1ccc(NCCC2CC(O)C2)c(-c2nnn[n-]2)n1 ZINC001591296561 1167202692 /nfs/dbraw/zinc/20/26/92/1167202692.db2.gz UHAROROZNQDCQR-UHFFFAOYSA-N -1 1 318.337 0.621 20 0 DCADMM COC(=O)c1ccc(NCCC2CC(O)C2)c(-c2nn[n-]n2)n1 ZINC001591296561 1167202697 /nfs/dbraw/zinc/20/26/97/1167202697.db2.gz UHAROROZNQDCQR-UHFFFAOYSA-N -1 1 318.337 0.621 20 0 DCADMM COC(=O)c1ccc(N2CC[C@@H](SC)C2)c(-c2nnn[n-]2)n1 ZINC001591293803 1167203411 /nfs/dbraw/zinc/20/34/11/1167203411.db2.gz ONGKYRUZWZRERK-MRVPVSSYSA-N -1 1 320.378 0.990 20 0 DCADMM COC(=O)c1ccc(N2CC[C@@H](SC)C2)c(-c2nn[n-]n2)n1 ZINC001591293803 1167203415 /nfs/dbraw/zinc/20/34/15/1167203415.db2.gz ONGKYRUZWZRERK-MRVPVSSYSA-N -1 1 320.378 0.990 20 0 DCADMM COC(=O)c1coc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001591307215 1167205276 /nfs/dbraw/zinc/20/52/76/1167205276.db2.gz AGZJOIJVKGELGC-UHFFFAOYSA-N -1 1 300.278 0.675 20 0 DCADMM COC(=O)c1coc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001591307215 1167205282 /nfs/dbraw/zinc/20/52/82/1167205282.db2.gz AGZJOIJVKGELGC-UHFFFAOYSA-N -1 1 300.278 0.675 20 0 DCADMM CO[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)CC(C)C ZINC001591329072 1167218732 /nfs/dbraw/zinc/21/87/32/1167218732.db2.gz ABACHSBVTZHDJG-QMMMGPOBSA-N -1 1 323.357 0.139 20 0 DCADMM COC1([C@@H](C)NC(=O)c2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001591338564 1167223262 /nfs/dbraw/zinc/22/32/62/1167223262.db2.gz QXEGGPYWJNRCSC-SECBINFHSA-N -1 1 302.338 0.949 20 0 DCADMM COC1([C@@H](C)NC(=O)c2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001591338564 1167223266 /nfs/dbraw/zinc/22/32/66/1167223266.db2.gz QXEGGPYWJNRCSC-SECBINFHSA-N -1 1 302.338 0.949 20 0 DCADMM COC1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCOCC1 ZINC001591342866 1167224723 /nfs/dbraw/zinc/22/47/23/1167224723.db2.gz SSFFIBAUTDTOEU-UHFFFAOYSA-N -1 1 318.337 0.187 20 0 DCADMM COC1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCOCC1 ZINC001591342866 1167224730 /nfs/dbraw/zinc/22/47/30/1167224730.db2.gz SSFFIBAUTDTOEU-UHFFFAOYSA-N -1 1 318.337 0.187 20 0 DCADMM COC1(CO)CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001591343625 1167225079 /nfs/dbraw/zinc/22/50/79/1167225079.db2.gz CANVMVXVKHBBOZ-UHFFFAOYSA-N -1 1 310.383 0.609 20 0 DCADMM CO[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001591360118 1167233366 /nfs/dbraw/zinc/23/33/66/1167233366.db2.gz HSDZOLUCWJLSSG-JOYOIKCWSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001591360118 1167233371 /nfs/dbraw/zinc/23/33/71/1167233371.db2.gz HSDZOLUCWJLSSG-JOYOIKCWSA-N -1 1 302.338 0.759 20 0 DCADMM COC[C@@H](C)CCOC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591374907 1167244479 /nfs/dbraw/zinc/24/44/79/1167244479.db2.gz ZJTXONUZAKOKCJ-DTWKUNHWSA-N -1 1 309.330 0.235 20 0 DCADMM COC[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591392548 1167260603 /nfs/dbraw/zinc/26/06/03/1167260603.db2.gz KTWTVWTWKVFXRC-LBPRGKRZSA-N -1 1 316.365 0.832 20 0 DCADMM COC[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591392548 1167260609 /nfs/dbraw/zinc/26/06/09/1167260609.db2.gz KTWTVWTWKVFXRC-LBPRGKRZSA-N -1 1 316.365 0.832 20 0 DCADMM COC[C@H]1CCCN1Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001591393911 1167261094 /nfs/dbraw/zinc/26/10/94/1167261094.db2.gz IJJWDCIGMSEVEV-LLVKDONJSA-N -1 1 304.354 0.405 20 0 DCADMM COC[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC001591395273 1167264879 /nfs/dbraw/zinc/26/48/79/1167264879.db2.gz ASBXRSFVIBNGCF-IONNQARKSA-N -1 1 310.383 0.872 20 0 DCADMM COCC[C@](C)(O)CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591398575 1167266011 /nfs/dbraw/zinc/26/60/11/1167266011.db2.gz XWGLSCOBBDZYFU-LBPRGKRZSA-N -1 1 311.367 0.446 20 0 DCADMM COCC[C@](C)(O)CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591398575 1167266020 /nfs/dbraw/zinc/26/60/20/1167266020.db2.gz XWGLSCOBBDZYFU-LBPRGKRZSA-N -1 1 311.367 0.446 20 0 DCADMM COCCCOCCN(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591416823 1167275891 /nfs/dbraw/zinc/27/58/91/1167275891.db2.gz CTIZDWJYWOMGDE-UHFFFAOYSA-N -1 1 320.353 0.387 20 0 DCADMM COCCCOCCN(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591416823 1167275898 /nfs/dbraw/zinc/27/58/98/1167275898.db2.gz CTIZDWJYWOMGDE-UHFFFAOYSA-N -1 1 320.353 0.387 20 0 DCADMM COCCN(CCF)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001591424197 1167278388 /nfs/dbraw/zinc/27/83/88/1167278388.db2.gz OVVHHLFTZVYHMQ-UHFFFAOYSA-N -1 1 312.305 0.150 20 0 DCADMM COCCN(CCF)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001591424197 1167278393 /nfs/dbraw/zinc/27/83/93/1167278393.db2.gz OVVHHLFTZVYHMQ-UHFFFAOYSA-N -1 1 312.305 0.150 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591468000 1167301489 /nfs/dbraw/zinc/30/14/89/1167301489.db2.gz AHQZWWBZUMKEAJ-RKDXNWHRSA-N -1 1 309.351 0.462 20 0 DCADMM CO[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O ZINC001591471615 1167302627 /nfs/dbraw/zinc/30/26/27/1167302627.db2.gz DGMOFRBRIYKTTL-RFZPGFLSSA-N -1 1 302.747 0.173 20 0 DCADMM CO[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O ZINC001591471615 1167302635 /nfs/dbraw/zinc/30/26/35/1167302635.db2.gz DGMOFRBRIYKTTL-RFZPGFLSSA-N -1 1 302.747 0.173 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCOC[C@@H]1CCCO1 ZINC001591475148 1167306494 /nfs/dbraw/zinc/30/64/94/1167306494.db2.gz RTSCTXYZSDQOOR-JTQLQIEISA-N -1 1 321.337 0.233 20 0 DCADMM COc1ccc(C=O)cc1Cn1cncc(-c2nn[n-]n2)c1=O ZINC001591582221 1167333901 /nfs/dbraw/zinc/33/39/01/1167333901.db2.gz BCFQNPVMLCDLGQ-UHFFFAOYSA-N -1 1 312.289 0.293 20 0 DCADMM COc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)o2)nn1 ZINC001591602750 1167336473 /nfs/dbraw/zinc/33/64/73/1167336473.db2.gz WRGIVDFKIOVHIB-UHFFFAOYSA-N -1 1 302.250 0.615 20 0 DCADMM COc1cncc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001591659211 1167343366 /nfs/dbraw/zinc/34/33/66/1167343366.db2.gz VRHRZCVQNTUZFZ-UHFFFAOYSA-N -1 1 313.277 0.417 20 0 DCADMM COc1cncc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001591659211 1167343371 /nfs/dbraw/zinc/34/33/71/1167343371.db2.gz VRHRZCVQNTUZFZ-UHFFFAOYSA-N -1 1 313.277 0.417 20 0 DCADMM COc1ncc(NC(=O)N(C)[C@@H](C)CCO)cc1-c1nn[n-]n1 ZINC001591664727 1167344154 /nfs/dbraw/zinc/34/41/54/1167344154.db2.gz MRMKXZPSTGWPSX-QMMMGPOBSA-N -1 1 321.341 0.505 20 0 DCADMM CS(=O)(=O)CC1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591671048 1167345891 /nfs/dbraw/zinc/34/58/91/1167345891.db2.gz FWZHEEJDVUWVGD-UHFFFAOYSA-N -1 1 322.394 0.523 20 0 DCADMM CS(=O)(=O)CC1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591671048 1167345898 /nfs/dbraw/zinc/34/58/98/1167345898.db2.gz FWZHEEJDVUWVGD-UHFFFAOYSA-N -1 1 322.394 0.523 20 0 DCADMM CS(=O)(=O)C1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC001591672375 1167347676 /nfs/dbraw/zinc/34/76/76/1167347676.db2.gz WNRFUBLKMYJUPZ-UHFFFAOYSA-N -1 1 323.334 0.088 20 0 DCADMM CS(C)(=O)=NCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591684897 1167352857 /nfs/dbraw/zinc/35/28/57/1167352857.db2.gz CDKIHCOBALLTPS-UHFFFAOYSA-N -1 1 314.396 0.386 20 0 DCADMM CS(C)(=O)=NCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591684897 1167352863 /nfs/dbraw/zinc/35/28/63/1167352863.db2.gz CDKIHCOBALLTPS-UHFFFAOYSA-N -1 1 314.396 0.386 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NOC(C)C ZINC001591787308 1167381186 /nfs/dbraw/zinc/38/11/86/1167381186.db2.gz SXKIDEXCZBQRBF-UHFFFAOYSA-N -1 1 320.353 0.973 20 0 DCADMM Cc1[nH]ccc1C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001591789680 1167382006 /nfs/dbraw/zinc/38/20/06/1167382006.db2.gz KGKKUJJPRMVRTJ-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1[nH]ccc1C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001591789680 1167382007 /nfs/dbraw/zinc/38/20/07/1167382007.db2.gz KGKKUJJPRMVRTJ-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC001591887579 1167410413 /nfs/dbraw/zinc/41/04/13/1167410413.db2.gz AINPOWKDEPASLK-SECBINFHSA-N -1 1 308.367 0.193 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC001591887579 1167410418 /nfs/dbraw/zinc/41/04/18/1167410418.db2.gz AINPOWKDEPASLK-SECBINFHSA-N -1 1 308.367 0.193 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C)[S@@](=O)CC2)n1 ZINC001591885290 1167411651 /nfs/dbraw/zinc/41/16/51/1167411651.db2.gz OMIMQIHDSSGYAN-FPVGNUTFSA-N -1 1 307.383 0.312 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C)[S@@](=O)CC2)n1 ZINC001591885290 1167411654 /nfs/dbraw/zinc/41/16/54/1167411654.db2.gz OMIMQIHDSSGYAN-FPVGNUTFSA-N -1 1 307.383 0.312 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCS(=O)(=O)[C@H](C)C2)n1 ZINC001591893715 1167414394 /nfs/dbraw/zinc/41/43/94/1167414394.db2.gz QRYUQRTUSWAUJZ-RKDXNWHRSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCS(=O)(=O)[C@H](C)C2)n1 ZINC001591893715 1167414399 /nfs/dbraw/zinc/41/43/99/1167414399.db2.gz QRYUQRTUSWAUJZ-RKDXNWHRSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(C)n(CCCC(=O)n2ncc(-c3nn[n-]n3)c2N)n1 ZINC001591956068 1167426038 /nfs/dbraw/zinc/42/60/38/1167426038.db2.gz VXFHTAJFYFQOCC-UHFFFAOYSA-N -1 1 315.341 0.579 20 0 DCADMM Cc1cc(C)cc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)c1 ZINC001591953937 1167426316 /nfs/dbraw/zinc/42/63/16/1167426316.db2.gz FMTHOKWRUMYFIT-UHFFFAOYSA-N -1 1 312.333 0.392 20 0 DCADMM Cc1cc(F)ccc1Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001591993004 1167429714 /nfs/dbraw/zinc/42/97/14/1167429714.db2.gz KMGMOVZQLOIIKM-UHFFFAOYSA-N -1 1 302.269 0.625 20 0 DCADMM Cc1cc(N[C@H]2CCN(C(C)(C)C)C2=O)cc(-c2nnn[n-]2)n1 ZINC001592039109 1167441131 /nfs/dbraw/zinc/44/11/31/1167441131.db2.gz AIGVXPZLCCSHGQ-NSHDSACASA-N -1 1 315.381 0.803 20 0 DCADMM Cc1cc(N[C@H]2CCN(C(C)(C)C)C2=O)cc(-c2nn[n-]n2)n1 ZINC001592039109 1167441136 /nfs/dbraw/zinc/44/11/36/1167441136.db2.gz AIGVXPZLCCSHGQ-NSHDSACASA-N -1 1 315.381 0.803 20 0 DCADMM Cc1cc(NCCS(=O)(=O)CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001592050604 1167446792 /nfs/dbraw/zinc/44/67/92/1167446792.db2.gz PJVOQFRQFWFYGY-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1cc(NCCS(=O)(=O)CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001592050604 1167446796 /nfs/dbraw/zinc/44/67/96/1167446796.db2.gz PJVOQFRQFWFYGY-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001592112866 1167457256 /nfs/dbraw/zinc/45/72/56/1167457256.db2.gz AKTVUOPRCWCKTH-FOGDFJRCSA-N -1 1 302.338 0.786 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN2C(=O)OC[C@H]2C1 ZINC001592114403 1167458567 /nfs/dbraw/zinc/45/85/67/1167458567.db2.gz QVIYSQFTPWRJKD-SECBINFHSA-N -1 1 301.310 0.211 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN2C(=O)OC[C@H]2C1 ZINC001592114403 1167458573 /nfs/dbraw/zinc/45/85/73/1167458573.db2.gz QVIYSQFTPWRJKD-SECBINFHSA-N -1 1 301.310 0.211 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN2C(=O)OCC[C@H]2C1 ZINC001592113444 1167459279 /nfs/dbraw/zinc/45/92/79/1167459279.db2.gz GQDISLXNIYDOGZ-JTQLQIEISA-N -1 1 315.337 0.601 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN2C(=O)OCC[C@H]2C1 ZINC001592113444 1167459283 /nfs/dbraw/zinc/45/92/83/1167459283.db2.gz GQDISLXNIYDOGZ-JTQLQIEISA-N -1 1 315.337 0.601 20 0 DCADMM Cc1ccc(C(=O)NCCNc2cncc(-c3nnn[n-]3)n2)o1 ZINC001592127771 1167461079 /nfs/dbraw/zinc/46/10/79/1167461079.db2.gz SXFIBBDVRXZMDC-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1ccc(C(=O)NCCNc2cncc(-c3nn[n-]n3)n2)o1 ZINC001592127771 1167461084 /nfs/dbraw/zinc/46/10/84/1167461084.db2.gz SXFIBBDVRXZMDC-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1ccc(NCCC(=O)N2CCOCC2)c(-c2nnn[n-]2)n1 ZINC001592183709 1167471295 /nfs/dbraw/zinc/47/12/95/1167471295.db2.gz VKCVWEKIAVJRID-UHFFFAOYSA-N -1 1 317.353 0.231 20 0 DCADMM Cc1ccc(NCCC(=O)N2CCOCC2)c(-c2nn[n-]n2)n1 ZINC001592183709 1167471298 /nfs/dbraw/zinc/47/12/98/1167471298.db2.gz VKCVWEKIAVJRID-UHFFFAOYSA-N -1 1 317.353 0.231 20 0 DCADMM Cc1ccccc1C[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001592255611 1167478276 /nfs/dbraw/zinc/47/82/76/1167478276.db2.gz BTEMMWAMWAYRBK-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccccc1C[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001592255611 1167478281 /nfs/dbraw/zinc/47/82/81/1167478281.db2.gz BTEMMWAMWAYRBK-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1cccc2c(=O)[nH]c(Cn3cnc(-c4nn[n-]n4)n3)nc12 ZINC001592241363 1167478716 /nfs/dbraw/zinc/47/87/16/1167478716.db2.gz RSOVTHKQQVQMNG-UHFFFAOYSA-N -1 1 309.293 0.464 20 0 DCADMM Cc1ccnc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)n1 ZINC001592269128 1167479885 /nfs/dbraw/zinc/47/98/85/1167479885.db2.gz LONRCCFFXVPTQX-UHFFFAOYSA-N -1 1 322.332 0.953 20 0 DCADMM Cc1ccnc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)n1 ZINC001592269128 1167479888 /nfs/dbraw/zinc/47/98/88/1167479888.db2.gz LONRCCFFXVPTQX-UHFFFAOYSA-N -1 1 322.332 0.953 20 0 DCADMM Cc1ccn(C[C@@H](C)C(=O)Nc2c[nH]nc2-c2nn[n-]n2)n1 ZINC001592265845 1167480722 /nfs/dbraw/zinc/48/07/22/1167480722.db2.gz JQMITZUZWGBNSP-SSDOTTSWSA-N -1 1 301.314 0.370 20 0 DCADMM Cc1cn(C)nc1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592287436 1167484629 /nfs/dbraw/zinc/48/46/29/1167484629.db2.gz HSSNZHFSEILMLQ-UHFFFAOYSA-N -1 1 305.323 0.722 20 0 DCADMM Cc1cn(C)nc1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592287436 1167484631 /nfs/dbraw/zinc/48/46/31/1167484631.db2.gz HSSNZHFSEILMLQ-UHFFFAOYSA-N -1 1 305.323 0.722 20 0 DCADMM Cc1cn(C)nc1Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001592287937 1167484678 /nfs/dbraw/zinc/48/46/78/1167484678.db2.gz XPOCTWSRJHRIBI-UHFFFAOYSA-N -1 1 311.349 0.607 20 0 DCADMM Cc1cncc(-c2noc([C@H](C)n3cnc(-c4nn[n-]n4)n3)n2)c1 ZINC001592295822 1167485271 /nfs/dbraw/zinc/48/52/71/1167485271.db2.gz KMLGRTORWAVSDY-QMMMGPOBSA-N -1 1 324.308 0.821 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2CCC[C@H](C(N)=O)C2)c1-c1nn[n-]n1 ZINC001592327104 1167489191 /nfs/dbraw/zinc/48/91/91/1167489191.db2.gz CBJAYEZTDIRIPJ-YUMQZZPRSA-N -1 1 318.341 0.128 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2CCc3c[nH]nc3C2)c1-c1nn[n-]n1 ZINC001592327921 1167489233 /nfs/dbraw/zinc/48/92/33/1167489233.db2.gz MAFHWEMTWPNMAQ-ZETCQYMHSA-N -1 1 313.325 0.365 20 0 DCADMM Cc1[nH]nc(NC(=O)CC2(O)CCCCC2)c1-c1nn[n-]n1 ZINC001592327529 1167489929 /nfs/dbraw/zinc/48/99/29/1167489929.db2.gz DZBLGQVZNNLXDL-UHFFFAOYSA-N -1 1 305.342 0.922 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC([C@H](F)C(N)=O)CC2)n1 ZINC001592337580 1167492733 /nfs/dbraw/zinc/49/27/33/1167492733.db2.gz LANOPTGUMDWMCQ-NSHDSACASA-N -1 1 320.332 0.005 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC([C@H](F)C(N)=O)CC2)n1 ZINC001592337580 1167492737 /nfs/dbraw/zinc/49/27/37/1167492737.db2.gz LANOPTGUMDWMCQ-NSHDSACASA-N -1 1 320.332 0.005 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)NCc2ccco2)c1C ZINC001592340632 1167495680 /nfs/dbraw/zinc/49/56/80/1167495680.db2.gz YYHQGPOLWAUKPP-UHFFFAOYSA-N -1 1 301.310 0.589 20 0 DCADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)NCc2ccco2)c1C ZINC001592340632 1167495684 /nfs/dbraw/zinc/49/56/84/1167495684.db2.gz YYHQGPOLWAUKPP-UHFFFAOYSA-N -1 1 301.310 0.589 20 0 DCADMM Cc1ncc2c(n1)CC[C@@H](Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001592412789 1167514414 /nfs/dbraw/zinc/51/44/14/1167514414.db2.gz JTVPFVDOEDAJIB-SNVBAGLBSA-N -1 1 309.337 0.146 20 0 DCADMM Cc1ncc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001592411382 1167515006 /nfs/dbraw/zinc/51/50/06/1167515006.db2.gz OHLKORVQXVTRFY-UHFFFAOYSA-N -1 1 310.295 0.235 20 0 DCADMM Cc1nc2n(n1)C[C@H](Nc1nc(-c3nn[n-]n3)ccc1C)CC2 ZINC001592405331 1167515940 /nfs/dbraw/zinc/51/59/40/1167515940.db2.gz SAMOLHJZBJUUQW-SNVBAGLBSA-N -1 1 311.353 0.897 20 0 DCADMM Cc1ncsc1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001592423667 1167516652 /nfs/dbraw/zinc/51/66/52/1167516652.db2.gz FYLZDDJCDVGPBC-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1ncsc1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001592423667 1167516656 /nfs/dbraw/zinc/51/66/56/1167516656.db2.gz FYLZDDJCDVGPBC-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC001592427943 1167519924 /nfs/dbraw/zinc/51/99/24/1167519924.db2.gz XFBDBEMISKYRBI-LLVKDONJSA-N -1 1 314.353 0.758 20 0 DCADMM Cc1nn(C)c(C)c1[C@H](O)CNc1cccc(-c2nn[n-]n2)n1 ZINC001592427943 1167519931 /nfs/dbraw/zinc/51/99/31/1167519931.db2.gz XFBDBEMISKYRBI-LLVKDONJSA-N -1 1 314.353 0.758 20 0 DCADMM Cc1noc(C)c1[C@@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592456194 1167529081 /nfs/dbraw/zinc/52/90/81/1167529081.db2.gz ABMGWKJVCAVCJA-RXMQYKEDSA-N -1 1 302.298 0.694 20 0 DCADMM Cc1noc(C)c1COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592459843 1167529756 /nfs/dbraw/zinc/52/97/56/1167529756.db2.gz WTXPISDHAKCMPO-ZETCQYMHSA-N -1 1 318.297 0.367 20 0 DCADMM Cc1nsc(N2CC[C@@H](N3CCCC3=O)C2)c1-c1nn[n-]n1 ZINC001592472717 1167533108 /nfs/dbraw/zinc/53/31/08/1167533108.db2.gz CJDHRMOLWBZIGN-SECBINFHSA-N -1 1 319.394 0.833 20 0 DCADMM Cc1nsc(N2CCc3n[nH]c(=O)cc3C2)c1-c1nn[n-]n1 ZINC001592476223 1167534321 /nfs/dbraw/zinc/53/43/21/1167534321.db2.gz OZCPTCMSWYCDNN-UHFFFAOYSA-N -1 1 316.350 0.690 20 0 DCADMM Cc1nsc(NC(=O)N(C)C2CC(O)C2)c1-c1nnn[n-]1 ZINC001592479783 1167534987 /nfs/dbraw/zinc/53/49/87/1167534987.db2.gz QUDFYHVMIZGBKG-UHFFFAOYSA-N -1 1 309.355 0.619 20 0 DCADMM Cc1nsc(NC(=O)N(C)C2CC(O)C2)c1-c1nn[n-]n1 ZINC001592479783 1167534992 /nfs/dbraw/zinc/53/49/92/1167534992.db2.gz QUDFYHVMIZGBKG-UHFFFAOYSA-N -1 1 309.355 0.619 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2C[C@@H](O)C2(C)C)c1-c1nnn[n-]1 ZINC001592481187 1167535630 /nfs/dbraw/zinc/53/56/30/1167535630.db2.gz HVPYRNYXZLPXKB-NKWVEPMBSA-N -1 1 323.382 0.913 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2C[C@@H](O)C2(C)C)c1-c1nn[n-]n1 ZINC001592481187 1167535636 /nfs/dbraw/zinc/53/56/36/1167535636.db2.gz HVPYRNYXZLPXKB-NKWVEPMBSA-N -1 1 323.382 0.913 20 0 DCADMM Cc1nsc(NCc2nnnn2CC2CC2)c1-c1nn[n-]n1 ZINC001592493508 1167538052 /nfs/dbraw/zinc/53/80/52/1167538052.db2.gz CDOAYYSXHXIZKG-UHFFFAOYSA-N -1 1 318.370 0.640 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nncn1C1CC1 ZINC001592502672 1167541406 /nfs/dbraw/zinc/54/14/06/1167541406.db2.gz VGCRZUJFZXBTLX-UHFFFAOYSA-N -1 1 300.282 0.947 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nncn1C1CC1 ZINC001592502672 1167541410 /nfs/dbraw/zinc/54/14/10/1167541410.db2.gz VGCRZUJFZXBTLX-UHFFFAOYSA-N -1 1 300.282 0.947 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1CCCNC1=O ZINC001592504244 1167543390 /nfs/dbraw/zinc/54/33/90/1167543390.db2.gz ZXSLMVXWFLBIOU-QMMMGPOBSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1CCCNC1=O ZINC001592504244 1167543394 /nfs/dbraw/zinc/54/33/94/1167543394.db2.gz ZXSLMVXWFLBIOU-QMMMGPOBSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1onc(CC(=O)Nc2ncn(C(C)C)n2)c1-c1nnn[n-]1 ZINC001592516638 1167548045 /nfs/dbraw/zinc/54/80/45/1167548045.db2.gz DKXXIDFLMLFXOH-UHFFFAOYSA-N -1 1 317.313 0.517 20 0 DCADMM Cc1onc(CC(=O)Nc2ncn(C(C)C)n2)c1-c1nn[n-]n1 ZINC001592516638 1167548057 /nfs/dbraw/zinc/54/80/57/1167548057.db2.gz DKXXIDFLMLFXOH-UHFFFAOYSA-N -1 1 317.313 0.517 20 0 DCADMM Clc1sc(N2CCn3ncnc3C2)nc1-c1nn[n-]n1 ZINC001592543489 1167551585 /nfs/dbraw/zinc/55/15/85/1167551585.db2.gz PNWSERPLCYLKCP-UHFFFAOYSA-N -1 1 309.746 0.588 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cn2cc(C3CC3)cn2)n1 ZINC001592558823 1167558991 /nfs/dbraw/zinc/55/89/91/1167558991.db2.gz HKKJBCOGWPSHFP-UHFFFAOYSA-N -1 1 313.325 0.313 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cn2cc(C3CC3)cn2)n1 ZINC001592558823 1167558998 /nfs/dbraw/zinc/55/89/98/1167558998.db2.gz HKKJBCOGWPSHFP-UHFFFAOYSA-N -1 1 313.325 0.313 20 0 DCADMM Cn1cc(CNc2n[nH]cc2-c2nnn[n-]2)c(-c2ccncc2)n1 ZINC001592573162 1167564880 /nfs/dbraw/zinc/56/48/80/1167564880.db2.gz UAJKJJMZPQNAFE-UHFFFAOYSA-N -1 1 322.336 0.997 20 0 DCADMM Cn1cc(CNc2n[nH]cc2-c2nn[n-]n2)c(-c2ccncc2)n1 ZINC001592573162 1167564888 /nfs/dbraw/zinc/56/48/88/1167564888.db2.gz UAJKJJMZPQNAFE-UHFFFAOYSA-N -1 1 322.336 0.997 20 0 DCADMM Cn1cncc1CCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592590636 1167574833 /nfs/dbraw/zinc/57/48/33/1167574833.db2.gz XHANMMPPAQKRDM-UHFFFAOYSA-N -1 1 315.312 0.712 20 0 DCADMM Cn1nnc2c1ncnc2Oc1cccc(F)c1-c1nnn[n-]1 ZINC001592609097 1167585506 /nfs/dbraw/zinc/58/55/06/1167585506.db2.gz KXFSMLVPZBRMJL-UHFFFAOYSA-N -1 1 313.256 0.870 20 0 DCADMM Cn1nnc2c1ncnc2Oc1cccc(F)c1-c1nn[n-]n1 ZINC001592609097 1167585512 /nfs/dbraw/zinc/58/55/12/1167585512.db2.gz KXFSMLVPZBRMJL-UHFFFAOYSA-N -1 1 313.256 0.870 20 0 DCADMM FC(F)Cn1ccnc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001592623939 1167585841 /nfs/dbraw/zinc/58/58/41/1167585841.db2.gz UBSMLMYCKRZDEW-UHFFFAOYSA-N -1 1 308.252 0.697 20 0 DCADMM NC(=O)C[C@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001592726031 1167616818 /nfs/dbraw/zinc/61/68/18/1167616818.db2.gz OIFDMOVXTGNAGI-SSDOTTSWSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)C[C@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001592726031 1167616822 /nfs/dbraw/zinc/61/68/22/1167616822.db2.gz OIFDMOVXTGNAGI-SSDOTTSWSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)OCCNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592733275 1167620561 /nfs/dbraw/zinc/62/05/61/1167620561.db2.gz QXWAWYMLQVOACV-UHFFFAOYSA-N -1 1 312.236 0.384 20 0 DCADMM NC(=O)OCCNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592733275 1167620565 /nfs/dbraw/zinc/62/05/65/1167620565.db2.gz QXWAWYMLQVOACV-UHFFFAOYSA-N -1 1 312.236 0.384 20 0 DCADMM NS(=O)(=O)c1cccc(N2CCC[C@@H]3C[C@@H]32)c1-c1nn[n-]n1 ZINC001592747707 1167628661 /nfs/dbraw/zinc/62/86/61/1167628661.db2.gz AFLVHTFWXKXPNT-SCZZXKLOSA-N -1 1 320.378 0.503 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(-c2cccnc2)on1 ZINC001592752842 1167631010 /nfs/dbraw/zinc/63/10/10/1167631010.db2.gz AXMWUTLPVJBLFA-UHFFFAOYSA-N -1 1 323.276 0.384 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCc1nc2cccnc2[nH]1 ZINC001592753315 1167631608 /nfs/dbraw/zinc/63/16/08/1167631608.db2.gz QVMULQPDEKYUGF-UHFFFAOYSA-N -1 1 324.308 0.190 20 0 DCADMM O=C(C1CC1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592774207 1167642741 /nfs/dbraw/zinc/64/27/41/1167642741.db2.gz ACWJUJUBDBOOAT-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592774207 1167642745 /nfs/dbraw/zinc/64/27/45/1167642745.db2.gz ACWJUJUBDBOOAT-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C([C@@H]1CCN(c2ncncc2-c2nn[n-]n2)C1)N1CCCC1 ZINC001592783849 1167643155 /nfs/dbraw/zinc/64/31/55/1167643155.db2.gz GRFJYIDKZAJRBN-SNVBAGLBSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592819169 1167645061 /nfs/dbraw/zinc/64/50/61/1167645061.db2.gz YKHLZWSTCBJRIO-WCBMZHEXSA-N -1 1 303.326 0.876 20 0 DCADMM O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592819169 1167645072 /nfs/dbraw/zinc/64/50/72/1167645072.db2.gz YKHLZWSTCBJRIO-WCBMZHEXSA-N -1 1 303.326 0.876 20 0 DCADMM O=C(CCc1cnccn1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592855689 1167651898 /nfs/dbraw/zinc/65/18/98/1167651898.db2.gz CKLJFROCIVVOJC-UHFFFAOYSA-N -1 1 310.321 0.301 20 0 DCADMM O=C(CCc1cnccn1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592855689 1167651900 /nfs/dbraw/zinc/65/19/00/1167651900.db2.gz CKLJFROCIVVOJC-UHFFFAOYSA-N -1 1 310.321 0.301 20 0 DCADMM O=C(COc1cnc(-c2nn[n-]n2)nc1)NC(C1CC1)C1CC1 ZINC001592900507 1167661812 /nfs/dbraw/zinc/66/18/12/1167661812.db2.gz XXLZMDVTDCPVGL-UHFFFAOYSA-N -1 1 315.337 0.340 20 0 DCADMM O=C(COc1cccnc1-c1nnn[n-]1)NC(C1CC1)C1CC1 ZINC001592899163 1167661995 /nfs/dbraw/zinc/66/19/95/1167661995.db2.gz VKMKUONBWHSODG-UHFFFAOYSA-N -1 1 314.349 0.945 20 0 DCADMM O=C(COc1cccnc1-c1nn[n-]n1)NC(C1CC1)C1CC1 ZINC001592899163 1167661998 /nfs/dbraw/zinc/66/19/98/1167661998.db2.gz VKMKUONBWHSODG-UHFFFAOYSA-N -1 1 314.349 0.945 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H](CO)CC1CC1 ZINC001592915198 1167664669 /nfs/dbraw/zinc/66/46/69/1167664669.db2.gz MCYKAKHUDLLABK-NSHDSACASA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H](CO)CC1CC1 ZINC001592915198 1167664684 /nfs/dbraw/zinc/66/46/84/1167664684.db2.gz MCYKAKHUDLLABK-NSHDSACASA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)NCc1ccccc1 ZINC001592937244 1167667091 /nfs/dbraw/zinc/66/70/91/1167667091.db2.gz OUGAHGVEWGAYSR-UHFFFAOYSA-N -1 1 310.317 0.345 20 0 DCADMM O=C(N[C@H](CO)C1CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592953267 1167671897 /nfs/dbraw/zinc/67/18/97/1167671897.db2.gz DAHKHMXONLKWOS-GFCCVEGCSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H](CO)C1CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592953267 1167671900 /nfs/dbraw/zinc/67/19/00/1167671900.db2.gz DAHKHMXONLKWOS-GFCCVEGCSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H](CO)C[C@@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001592953844 1167672060 /nfs/dbraw/zinc/67/20/60/1167672060.db2.gz PXVKUTQXAMBOKC-UWVGGRQHSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@H](CO)C[C@@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001592953844 1167672064 /nfs/dbraw/zinc/67/20/64/1167672064.db2.gz PXVKUTQXAMBOKC-UWVGGRQHSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@@H]1CCCn2nccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001592986349 1167679831 /nfs/dbraw/zinc/67/98/31/1167679831.db2.gz XWGXWMHPHNKFTP-SECBINFHSA-N -1 1 310.321 0.723 20 0 DCADMM O=C(N[C@@H]1CCCn2nccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001592986349 1167679836 /nfs/dbraw/zinc/67/98/36/1167679836.db2.gz XWGXWMHPHNKFTP-SECBINFHSA-N -1 1 310.321 0.723 20 0 DCADMM O=C(CNC(=O)c1ccsc1-c1nnn[n-]1)N1CCCCC1 ZINC001593005063 1167683785 /nfs/dbraw/zinc/68/37/85/1167683785.db2.gz NSXFTSDNDJKBRH-UHFFFAOYSA-N -1 1 320.378 0.671 20 0 DCADMM O=C(CNC(=O)c1ccsc1-c1nn[n-]n1)N1CCCCC1 ZINC001593005063 1167683787 /nfs/dbraw/zinc/68/37/87/1167683787.db2.gz NSXFTSDNDJKBRH-UHFFFAOYSA-N -1 1 320.378 0.671 20 0 DCADMM O=C(CNC(=O)c1csc(-c2nn[n-]n2)c1)N1CCCC1 ZINC001593005531 1167684981 /nfs/dbraw/zinc/68/49/81/1167684981.db2.gz ODMWEMXOBZYIDF-UHFFFAOYSA-N -1 1 306.351 0.280 20 0 DCADMM O=C(NCC1(N2CCOCC2)CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593015308 1167688676 /nfs/dbraw/zinc/68/86/76/1167688676.db2.gz FICYWUBQLFQANB-UHFFFAOYSA-N -1 1 318.337 0.054 20 0 DCADMM O=C(NCC1(N2CCOCC2)CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593015308 1167688681 /nfs/dbraw/zinc/68/86/81/1167688681.db2.gz FICYWUBQLFQANB-UHFFFAOYSA-N -1 1 318.337 0.054 20 0 DCADMM O=C(NCCCNc1nccnc1-c1nnn[n-]1)C1=CCCC1 ZINC001593079794 1167699996 /nfs/dbraw/zinc/69/99/96/1167699996.db2.gz WXLXJVFDPWALBC-UHFFFAOYSA-N -1 1 314.353 0.685 20 0 DCADMM O=C(NCCCNc1nccnc1-c1nn[n-]n1)C1=CCCC1 ZINC001593079794 1167699998 /nfs/dbraw/zinc/69/99/98/1167699998.db2.gz WXLXJVFDPWALBC-UHFFFAOYSA-N -1 1 314.353 0.685 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)C1(F)CCCC1 ZINC001593089856 1167702993 /nfs/dbraw/zinc/70/29/93/1167702993.db2.gz QNEQPKUPLSHTIT-UHFFFAOYSA-N -1 1 320.332 0.467 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)C1(F)CCCC1 ZINC001593089856 1167703002 /nfs/dbraw/zinc/70/30/02/1167703002.db2.gz QNEQPKUPLSHTIT-UHFFFAOYSA-N -1 1 320.332 0.467 20 0 DCADMM O=C(NC[C@H](O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593114259 1167716104 /nfs/dbraw/zinc/71/61/04/1167716104.db2.gz BQNNJECWMYWKJL-LLVKDONJSA-N -1 1 313.317 0.793 20 0 DCADMM O=C(NC[C@H](O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593114259 1167716110 /nfs/dbraw/zinc/71/61/10/1167716110.db2.gz BQNNJECWMYWKJL-LLVKDONJSA-N -1 1 313.317 0.793 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1nccnc1Cl ZINC001593147672 1167723552 /nfs/dbraw/zinc/72/35/52/1167723552.db2.gz BFYURCJWOWYVBE-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1nccnc1Cl ZINC001593147672 1167723558 /nfs/dbraw/zinc/72/35/58/1167723558.db2.gz BFYURCJWOWYVBE-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N(CCO)CC1CC1 ZINC001593149315 1167726075 /nfs/dbraw/zinc/72/60/75/1167726075.db2.gz NQGNLGVPKUJWFF-UHFFFAOYSA-N -1 1 323.382 0.237 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N(CCO)CC1CC1 ZINC001593149315 1167726080 /nfs/dbraw/zinc/72/60/80/1167726080.db2.gz NQGNLGVPKUJWFF-UHFFFAOYSA-N -1 1 323.382 0.237 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NOC/C=C/Cl ZINC001593151229 1167727338 /nfs/dbraw/zinc/72/73/38/1167727338.db2.gz RZYNKJHEJNFZKE-OWOJBTEDSA-N -1 1 315.746 0.807 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NOC/C=C/Cl ZINC001593151229 1167727349 /nfs/dbraw/zinc/72/73/49/1167727349.db2.gz RZYNKJHEJNFZKE-OWOJBTEDSA-N -1 1 315.746 0.807 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@]12CCOC2 ZINC001593202491 1167739465 /nfs/dbraw/zinc/73/94/65/1167739465.db2.gz AZRBWEFKSMICIL-OTYXRUKQSA-N -1 1 301.306 0.937 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C=C[C@H](CO)C1 ZINC001593243822 1167744251 /nfs/dbraw/zinc/74/42/51/1167744251.db2.gz ILVDQWXIORDIOS-DTWKUNHWSA-N -1 1 301.310 0.320 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C=C[C@H](CO)C1 ZINC001593243822 1167744255 /nfs/dbraw/zinc/74/42/55/1167744255.db2.gz ILVDQWXIORDIOS-DTWKUNHWSA-N -1 1 301.310 0.320 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CCC[C@@H](CO)C1 ZINC001593244100 1167744689 /nfs/dbraw/zinc/74/46/89/1167744689.db2.gz LBPSOVGNRCXRGE-NXEZZACHSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CCC[C@@H](CO)C1 ZINC001593244100 1167744698 /nfs/dbraw/zinc/74/46/98/1167744698.db2.gz LBPSOVGNRCXRGE-NXEZZACHSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1OCCc2ccccc21 ZINC001593261030 1167747384 /nfs/dbraw/zinc/74/73/84/1167747384.db2.gz QESOURVHNYHPPP-LBPRGKRZSA-N -1 1 311.305 0.842 20 0 DCADMM O=C(Nc1nc2cnccn2n1)c1ccc(-c2nn[n-]n2)s1 ZINC001593266510 1167748919 /nfs/dbraw/zinc/74/89/19/1167748919.db2.gz NQCCARLCBWWOIG-UHFFFAOYSA-N -1 1 313.306 0.618 20 0 DCADMM O=C(O[C@H]1CCCNC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001593281690 1167757179 /nfs/dbraw/zinc/75/71/79/1167757179.db2.gz SPBLJWKWPWOJCA-VIFPVBQESA-N -1 1 305.269 0.441 20 0 DCADMM O=C(O[C@H]1CCCNC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001593281690 1167757191 /nfs/dbraw/zinc/75/71/91/1167757191.db2.gz SPBLJWKWPWOJCA-VIFPVBQESA-N -1 1 305.269 0.441 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@@H]2O1)c1cccc(-c2nnn[n-]2)n1 ZINC001593285516 1167758397 /nfs/dbraw/zinc/75/83/97/1167758397.db2.gz VKGPAYPLJSXTSL-AUTRQRHGSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@@H]2O1)c1cccc(-c2nn[n-]n2)n1 ZINC001593285516 1167758406 /nfs/dbraw/zinc/75/84/06/1167758406.db2.gz VKGPAYPLJSXTSL-AUTRQRHGSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OCCO[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593290057 1167762361 /nfs/dbraw/zinc/76/23/61/1167762361.db2.gz DSLTWENXFPWJAL-SNVBAGLBSA-N -1 1 305.294 0.224 20 0 DCADMM O=C(OCCO[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593290057 1167762365 /nfs/dbraw/zinc/76/23/65/1167762365.db2.gz DSLTWENXFPWJAL-SNVBAGLBSA-N -1 1 305.294 0.224 20 0 DCADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1(CO)CCOCC1 ZINC001593297610 1167764036 /nfs/dbraw/zinc/76/40/36/1167764036.db2.gz NCMHIRSJBZLACC-UHFFFAOYSA-N -1 1 308.294 0.292 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1(CO)CCOCC1 ZINC001593297610 1167764041 /nfs/dbraw/zinc/76/40/41/1167764041.db2.gz NCMHIRSJBZLACC-UHFFFAOYSA-N -1 1 308.294 0.292 20 0 DCADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1CCC(O)CC1 ZINC001593302160 1167765717 /nfs/dbraw/zinc/76/57/17/1167765717.db2.gz RMLHIHLOGFAVPK-UHFFFAOYSA-N -1 1 303.322 0.856 20 0 DCADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1CCC(O)CC1 ZINC001593302160 1167765722 /nfs/dbraw/zinc/76/57/22/1167765722.db2.gz RMLHIHLOGFAVPK-UHFFFAOYSA-N -1 1 303.322 0.856 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H](O)C12CCCC2 ZINC001593347662 1167781294 /nfs/dbraw/zinc/78/12/94/1167781294.db2.gz FHXUQRVZWVZMRR-LBPRGKRZSA-N -1 1 314.349 0.781 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H](O)C12CCCC2 ZINC001593347662 1167781306 /nfs/dbraw/zinc/78/13/06/1167781306.db2.gz FHXUQRVZWVZMRR-LBPRGKRZSA-N -1 1 314.349 0.781 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC(C2(O)CC2)CC1 ZINC001593347787 1167782887 /nfs/dbraw/zinc/78/28/87/1167782887.db2.gz GNEHCSTWOHDJEA-UHFFFAOYSA-N -1 1 314.349 0.639 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC(C2(O)CC2)CC1 ZINC001593347787 1167782895 /nfs/dbraw/zinc/78/28/95/1167782895.db2.gz GNEHCSTWOHDJEA-UHFFFAOYSA-N -1 1 314.349 0.639 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1c1ncc[nH]1 ZINC001593349066 1167783749 /nfs/dbraw/zinc/78/37/49/1167783749.db2.gz XURNZIQNDPNFMJ-NSHDSACASA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1c1ncc[nH]1 ZINC001593349066 1167783757 /nfs/dbraw/zinc/78/37/57/1167783757.db2.gz XURNZIQNDPNFMJ-NSHDSACASA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1C[C@@H](O)C2(CC2)C1 ZINC001593350630 1167784226 /nfs/dbraw/zinc/78/42/26/1167784226.db2.gz PEFXSQVQUJOXCV-SNVBAGLBSA-N -1 1 303.297 0.603 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1C[C@@H](O)C2(CC2)C1 ZINC001593350630 1167784235 /nfs/dbraw/zinc/78/42/35/1167784235.db2.gz PEFXSQVQUJOXCV-SNVBAGLBSA-N -1 1 303.297 0.603 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCOC[C@@H]1C1CCC1 ZINC001593348735 1167785100 /nfs/dbraw/zinc/78/51/00/1167785100.db2.gz NWGSEFNPFOCYMU-CYBMUJFWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCOC[C@@H]1C1CCC1 ZINC001593348735 1167785106 /nfs/dbraw/zinc/78/51/06/1167785106.db2.gz NWGSEFNPFOCYMU-CYBMUJFWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@H](C2OCCO2)C1 ZINC001593370480 1167790911 /nfs/dbraw/zinc/79/09/11/1167790911.db2.gz DLNVLQVGHYMVPT-QMMMGPOBSA-N -1 1 321.362 0.763 20 0 DCADMM O=C1[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CCN1C1CCC1 ZINC001593378927 1167795624 /nfs/dbraw/zinc/79/56/24/1167795624.db2.gz NMQKSURJHYQPMN-SECBINFHSA-N -1 1 300.326 0.222 20 0 DCADMM O=C1[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CCN1C1CCC1 ZINC001593378927 1167795631 /nfs/dbraw/zinc/79/56/31/1167795631.db2.gz NMQKSURJHYQPMN-SECBINFHSA-N -1 1 300.326 0.222 20 0 DCADMM O=C1N[C@H](c2csc(-c3nn[n-]n3)c2)N2CCSC[C@H]12 ZINC001593412693 1167823363 /nfs/dbraw/zinc/82/33/63/1167823363.db2.gz BJVVTCISAGUBAY-XCBNKYQSSA-N -1 1 308.392 0.474 20 0 DCADMM O=S(=O)(CC1CCC1)Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001593418627 1167830872 /nfs/dbraw/zinc/83/08/72/1167830872.db2.gz ZYAUTXCECTXFCJ-UHFFFAOYSA-N -1 1 313.314 0.910 20 0 DCADMM O=S1(=NCCNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001593461953 1167848868 /nfs/dbraw/zinc/84/88/68/1167848868.db2.gz ZZUPNGVMVFWVEQ-UHFFFAOYSA-N -1 1 308.371 0.330 20 0 DCADMM O=S1(=NCCNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001593461953 1167848875 /nfs/dbraw/zinc/84/88/75/1167848875.db2.gz ZZUPNGVMVFWVEQ-UHFFFAOYSA-N -1 1 308.371 0.330 20 0 DCADMM O=S1(=NCCNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001593459105 1167848973 /nfs/dbraw/zinc/84/89/73/1167848973.db2.gz AQYIGIIYESAQMZ-UHFFFAOYSA-N -1 1 308.371 0.330 20 0 DCADMM O=S1(=NCCNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001593459105 1167848985 /nfs/dbraw/zinc/84/89/85/1167848985.db2.gz AQYIGIIYESAQMZ-UHFFFAOYSA-N -1 1 308.371 0.330 20 0 DCADMM O=S1(=O)CCC[C@@H](Cn2ccn3ncc(-c4nn[n-]n4)c23)C1 ZINC001593463010 1167852267 /nfs/dbraw/zinc/85/22/67/1167852267.db2.gz IQCICSWINPDCFT-VIFPVBQESA-N -1 1 321.366 0.141 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@H]1CC2(CCC2)CO1 ZINC001593489464 1167870536 /nfs/dbraw/zinc/87/05/36/1167870536.db2.gz ORZZOAQESZWZAS-MRVPVSSYSA-N -1 1 304.310 0.088 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCO[C@@H](C2CCC2)C1 ZINC001593493101 1167876261 /nfs/dbraw/zinc/87/62/61/1167876261.db2.gz YFYRRCVTZBSNFN-CYBMUJFWSA-N -1 1 316.365 0.487 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1CCN1CCc2ccccc21 ZINC001593494280 1167877595 /nfs/dbraw/zinc/87/75/95/1167877595.db2.gz QKXNVBVABCFCIR-UHFFFAOYSA-N -1 1 309.333 0.486 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1Cc1noc2c1COCC2 ZINC001593495325 1167878578 /nfs/dbraw/zinc/87/85/78/1167878578.db2.gz UTVUBHGGHLRGSN-UHFFFAOYSA-N -1 1 300.278 0.137 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1nnc(-c2ccco2)o1 ZINC001593495446 1167880238 /nfs/dbraw/zinc/88/02/38/1167880238.db2.gz BOFORUCUJAZYMT-UHFFFAOYSA-N -1 1 312.249 0.115 20 0 DCADMM OC[C@@H](Cc1cncs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001593521148 1167895951 /nfs/dbraw/zinc/89/59/51/1167895951.db2.gz PVWOVGUMDKJNTR-SSDOTTSWSA-N -1 1 304.339 0.129 20 0 DCADMM OC[C@@H](Cc1cncs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001593521148 1167895956 /nfs/dbraw/zinc/89/59/56/1167895956.db2.gz PVWOVGUMDKJNTR-SSDOTTSWSA-N -1 1 304.339 0.129 20 0 DCADMM OC[C@H](CNc1cc(-c2nnn[n-]2)ncn1)Cc1ccccc1 ZINC001593522894 1167898288 /nfs/dbraw/zinc/89/82/88/1167898288.db2.gz HJHKSTNYNSLMEY-LBPRGKRZSA-N -1 1 311.349 0.920 20 0 DCADMM OC[C@H](CNc1cc(-c2nn[n-]n2)ncn1)Cc1ccccc1 ZINC001593522894 1167898293 /nfs/dbraw/zinc/89/82/93/1167898293.db2.gz HJHKSTNYNSLMEY-LBPRGKRZSA-N -1 1 311.349 0.920 20 0 DCADMM OC[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)CC1CCOCC1 ZINC001593522539 1167898574 /nfs/dbraw/zinc/89/85/74/1167898574.db2.gz DWVZNVPNYBJSBM-GFCCVEGCSA-N -1 1 318.381 0.521 20 0 DCADMM OC[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)CC1CCOCC1 ZINC001593522539 1167898582 /nfs/dbraw/zinc/89/85/82/1167898582.db2.gz DWVZNVPNYBJSBM-GFCCVEGCSA-N -1 1 318.381 0.521 20 0 DCADMM O[C@@H]1COCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001593536638 1167918774 /nfs/dbraw/zinc/91/87/74/1167918774.db2.gz PVFPKKDPLLNJGO-RFZPGFLSSA-N -1 1 302.747 0.538 20 0 DCADMM O[C@@H]1COCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001593536638 1167918784 /nfs/dbraw/zinc/91/87/84/1167918784.db2.gz PVFPKKDPLLNJGO-RFZPGFLSSA-N -1 1 302.747 0.538 20 0 DCADMM O[C@@H]1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001593538660 1167921961 /nfs/dbraw/zinc/92/19/61/1167921961.db2.gz ZGDOWWHENFJJMI-VDAHYXPESA-N -1 1 310.745 0.601 20 0 DCADMM O[C@@H]1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001593538660 1167921966 /nfs/dbraw/zinc/92/19/66/1167921966.db2.gz ZGDOWWHENFJJMI-VDAHYXPESA-N -1 1 310.745 0.601 20 0 DCADMM c1cc(N[C@@H]2CCO[C@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001593558087 1167936930 /nfs/dbraw/zinc/93/69/30/1167936930.db2.gz IKKMPJHVSFGVHS-BXUZGUMPSA-N -1 1 302.338 0.434 20 0 DCADMM c1cc(N[C@@H]2CCO[C@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001593558087 1167936934 /nfs/dbraw/zinc/93/69/34/1167936934.db2.gz IKKMPJHVSFGVHS-BXUZGUMPSA-N -1 1 302.338 0.434 20 0 DCADMM c1cc(NC[C@@H]2CCC23CCOCC3)nc(-c2nn[n-]n2)n1 ZINC001593559041 1167938009 /nfs/dbraw/zinc/93/80/09/1167938009.db2.gz SOJQDVICQFQDRR-JTQLQIEISA-N -1 1 301.354 0.697 20 0 DCADMM c1cn([C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)nn1 ZINC001593581988 1167949506 /nfs/dbraw/zinc/94/95/06/1167949506.db2.gz AJUGBQIKJZZXES-SNVBAGLBSA-N -1 1 312.341 0.480 20 0 DCADMM c1cn([C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001593581988 1167949510 /nfs/dbraw/zinc/94/95/10/1167949510.db2.gz AJUGBQIKJZZXES-SNVBAGLBSA-N -1 1 312.341 0.480 20 0 DCADMM c1ccc2c(c1)CC[C@@H](Nc1ccnc(-c3nn[n-]n3)n1)CO2 ZINC001593581446 1167949531 /nfs/dbraw/zinc/94/95/31/1167949531.db2.gz PVTPUIKWENIASF-LLVKDONJSA-N -1 1 309.333 0.884 20 0 DCADMM c1cnc(N2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)nc1 ZINC001593584998 1167951711 /nfs/dbraw/zinc/95/17/11/1167951711.db2.gz RBYGJHIPTGVHFW-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM c1cnc(N2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)nc1 ZINC001593584998 1167951716 /nfs/dbraw/zinc/95/17/16/1167951716.db2.gz RBYGJHIPTGVHFW-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1 ZINC001593590000 1167952414 /nfs/dbraw/zinc/95/24/14/1167952414.db2.gz BKXAKQMPOZNGQV-GHMZBOCLSA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1 ZINC001593590000 1167952418 /nfs/dbraw/zinc/95/24/18/1167952418.db2.gz BKXAKQMPOZNGQV-GHMZBOCLSA-N -1 1 303.326 0.041 20 0 DCADMM Cc1cc(C(=O)NCCCN2CCC[C@H]2C(N)=O)oc1C(=O)[O-] ZINC001600092189 1168116502 /nfs/dbraw/zinc/11/65/02/1168116502.db2.gz CDTBWXKOMAJWMB-JTQLQIEISA-N -1 1 323.349 0.356 20 0 DCADMM Cc1cc(C[C@H](C)N2C(=O)[C@H]3CC[C@@H](C(=O)[O-])CN3C2=O)n[nH]1 ZINC001600189495 1168133368 /nfs/dbraw/zinc/13/33/68/1168133368.db2.gz PQOLVGFGLHWNPN-HOSYDEDBSA-N -1 1 320.349 0.777 20 0 DCADMM Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)c(C(=O)[O-])[nH]1 ZINC001600246700 1168148418 /nfs/dbraw/zinc/14/84/18/1168148418.db2.gz CMWVFCSDYYXCDV-SECBINFHSA-N -1 1 308.338 0.170 20 0 DCADMM Cc1cc(NC(=O)[C@@H]2CN3CCN2C[C@@H]3C)nc(C)c1C(=O)[O-] ZINC001600252356 1168149831 /nfs/dbraw/zinc/14/98/31/1168149831.db2.gz CIIPBBCHFOGZNC-JQWIXIFHSA-N -1 1 318.377 0.723 20 0 DCADMM Cc1ccc([C@H](CNC(=O)C[C@H]2COCCN2)C(=O)[O-])cc1 ZINC001600379193 1168175911 /nfs/dbraw/zinc/17/59/11/1168175911.db2.gz RYURHQBHULRGBE-KBPBESRZSA-N -1 1 306.362 0.658 20 0 DCADMM Cc1cccc(C[C@H](CNC(=O)CCc2nn[nH]n2)C(=O)[O-])c1 ZINC001600526569 1168194892 /nfs/dbraw/zinc/19/48/92/1168194892.db2.gz MCZSKMASJJXXAB-GFCCVEGCSA-N -1 1 317.349 0.500 20 0 DCADMM Cc1cccc(C[C@@H](CNC(=O)[C@]2(C)CNCCO2)C(=O)[O-])c1 ZINC001600528097 1168195872 /nfs/dbraw/zinc/19/58/72/1168195872.db2.gz TUCLLVZHRDZDOF-YOEHRIQHSA-N -1 1 320.389 0.733 20 0 DCADMM Cc1cn2ccc(C(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])cc2n1 ZINC001600615618 1168214984 /nfs/dbraw/zinc/21/49/84/1168214984.db2.gz XIQBQARIYUCDJT-GFCCVEGCSA-N -1 1 313.317 0.792 20 0 DCADMM Cc1cnc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)cn1 ZINC001600621276 1168216461 /nfs/dbraw/zinc/21/64/61/1168216461.db2.gz QDWUCOPHQJRCCT-STQMWFEESA-N -1 1 318.377 0.634 20 0 DCADMM Cc1ncc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001600735949 1168267093 /nfs/dbraw/zinc/26/70/93/1168267093.db2.gz KRCRPYZPXNITNE-OAHLLOKOSA-N -1 1 306.366 0.146 20 0 DCADMM Cc1nn(C)cc1CCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001600776037 1168288428 /nfs/dbraw/zinc/28/84/28/1168288428.db2.gz NPMGNCDERUQGRB-LBPRGKRZSA-N -1 1 322.409 0.669 20 0 DCADMM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC001600824541 1168476476 /nfs/dbraw/zinc/47/64/76/1168476476.db2.gz RYVCTRSKYAEZLD-QMMMGPOBSA-N -1 1 305.294 0.819 20 0 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/nfs/dbraw/zinc/36/08/99/1169360899.db2.gz MVBUDWYHYJBBML-ZETCQYMHSA-N -1 1 311.292 0.988 20 0 DCADMM C[C@H](O)CCN(C)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603695912 1169360907 /nfs/dbraw/zinc/36/09/07/1169360907.db2.gz MVBUDWYHYJBBML-ZETCQYMHSA-N -1 1 311.292 0.988 20 0 DCADMM CC(C)[C@@H]1C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CCO1 ZINC001603750753 1169376878 /nfs/dbraw/zinc/37/68/78/1169376878.db2.gz RNXWBZREDHLLJN-DRZSPHRISA-N -1 1 309.366 0.973 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CCC[C@](C)(O)CC1)C(=O)[O-] ZINC001603776632 1169385518 /nfs/dbraw/zinc/38/55/18/1169385518.db2.gz ROMVCGUHKWBXIH-WFASDCNBSA-N -1 1 300.399 0.839 20 0 DCADMM CC1(C)OCC(NC(=O)c2csc(-c3nn[n-]n3)c2)CO1 ZINC001603794466 1169393660 /nfs/dbraw/zinc/39/36/60/1169393660.db2.gz JRCQBURMFSQBFG-UHFFFAOYSA-N -1 1 309.351 0.810 20 0 DCADMM CC(C)Cn1[nH]c(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1=O ZINC001603852842 1169412985 /nfs/dbraw/zinc/41/29/85/1169412985.db2.gz JCHJVQBPMAPGKS-LBPRGKRZSA-N -1 1 309.366 0.744 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@H](C)O1 ZINC001603851051 1169413496 /nfs/dbraw/zinc/41/34/96/1169413496.db2.gz QJDILEVGJKBNKY-VGMNWLOBSA-N -1 1 320.357 0.535 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@H](C)O1 ZINC001603851051 1169413500 /nfs/dbraw/zinc/41/35/00/1169413500.db2.gz QJDILEVGJKBNKY-VGMNWLOBSA-N -1 1 320.357 0.535 20 0 DCADMM C[C@@H]1C[C@]2(CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)O2)CO1 ZINC001603870439 1169419436 /nfs/dbraw/zinc/41/94/36/1169419436.db2.gz DEDROFURQNIHFF-ISTVAULSSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1C[C@]2(CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)O2)CO1 ZINC001603870439 1169419438 /nfs/dbraw/zinc/41/94/38/1169419438.db2.gz DEDROFURQNIHFF-ISTVAULSSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001603889552 1169422363 /nfs/dbraw/zinc/42/23/63/1169422363.db2.gz CQVYJPWVTXMKAB-ONGXEEELSA-N -1 1 304.358 0.495 20 0 DCADMM CC(C)N1CCC[C@@H](N2CCN(CCC(=O)[O-])C[C@H]2C)C1=O ZINC001603893303 1169422708 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20 0 DCADMM C[C@@H]1COCC[C@@H]1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001603946024 1169446263 /nfs/dbraw/zinc/44/62/63/1169446263.db2.gz FYTQNEXOYFDBFZ-RKDXNWHRSA-N -1 1 320.357 0.394 20 0 DCADMM C[C@@H]1COCC[C@@H]1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001603946024 1169446264 /nfs/dbraw/zinc/44/62/64/1169446264.db2.gz FYTQNEXOYFDBFZ-RKDXNWHRSA-N -1 1 320.357 0.394 20 0 DCADMM C[C@H]1COCC[C@H]1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001603946022 1169447051 /nfs/dbraw/zinc/44/70/51/1169447051.db2.gz FYTQNEXOYFDBFZ-IUCAKERBSA-N -1 1 320.357 0.394 20 0 DCADMM C[C@H]1COCC[C@H]1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001603946022 1169447056 /nfs/dbraw/zinc/44/70/56/1169447056.db2.gz FYTQNEXOYFDBFZ-IUCAKERBSA-N -1 1 320.357 0.394 20 0 DCADMM C[C@@H]1OCC[C@]1(O)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603953787 1169449217 /nfs/dbraw/zinc/44/92/17/1169449217.db2.gz KRSYZLZHXFSQRV-MADCSZMMSA-N -1 1 309.351 0.198 20 0 DCADMM C[C@H]1N(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCOC1(C)C ZINC001603954986 1169450398 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DCADMM CCC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001603968140 1169457236 /nfs/dbraw/zinc/45/72/36/1169457236.db2.gz WHAUVPCLQDPRKZ-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001603968140 1169457240 /nfs/dbraw/zinc/45/72/40/1169457240.db2.gz WHAUVPCLQDPRKZ-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001603968213 1169458185 /nfs/dbraw/zinc/45/81/85/1169458185.db2.gz YTQTWYWMWGKBRF-AOOOYVTPSA-N -1 1 314.353 0.246 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)OC ZINC001603998195 1169466616 /nfs/dbraw/zinc/46/66/16/1169466616.db2.gz COVGBKSAIRMNSM-XVKPBYJWSA-N -1 1 307.310 0.777 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)OC ZINC001603998195 1169466617 /nfs/dbraw/zinc/46/66/17/1169466617.db2.gz COVGBKSAIRMNSM-XVKPBYJWSA-N -1 1 307.310 0.777 20 0 DCADMM CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603996798 1169466729 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CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@]2(CCOC2)O1 ZINC001604111208 1169494613 /nfs/dbraw/zinc/49/46/13/1169494613.db2.gz BQPUAIHGTFLXFP-QMTHXVAHSA-N -1 1 317.353 0.431 20 0 DCADMM CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@]2(CCOC2)O1 ZINC001604111208 1169494619 /nfs/dbraw/zinc/49/46/19/1169494619.db2.gz BQPUAIHGTFLXFP-QMTHXVAHSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)OC2CCOCC2)CC1 ZINC001604113777 1169494639 /nfs/dbraw/zinc/49/46/39/1169494639.db2.gz LFQVHGBRRUHOII-NSHDSACASA-N -1 1 300.355 0.783 20 0 DCADMM CC/C=C(\C)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001604118504 1169497546 /nfs/dbraw/zinc/49/75/46/1169497546.db2.gz IEFRZBQGUGNTFY-CYNRKNSPSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C=C(\C)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001604118504 1169497550 /nfs/dbraw/zinc/49/75/50/1169497550.db2.gz IEFRZBQGUGNTFY-CYNRKNSPSA-N -1 1 316.369 0.930 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cn3c(n2)COCC3)CC1 ZINC001604114085 1169498341 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CCOC(=O)c1cccc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1 ZINC001605574691 1169964009 /nfs/dbraw/zinc/96/40/09/1169964009.db2.gz ZWBXXTFEJPRGAS-JQWIXIFHSA-N -1 1 308.334 0.526 20 0 DCADMM CCOCCNC(=O)CN[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC001605637010 1169979313 /nfs/dbraw/zinc/97/93/13/1169979313.db2.gz JBONSORQAWYARQ-DYEKYZERSA-N -1 1 316.398 0.387 20 0 DCADMM CCc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)nn1 ZINC001605785410 1170001486 /nfs/dbraw/zinc/00/14/86/1170001486.db2.gz ZLOMKDWLLPOUCM-NSHDSACASA-N -1 1 320.393 0.968 20 0 DCADMM CCc1cc(CNC(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)[nH]n1 ZINC001605798332 1170005640 /nfs/dbraw/zinc/00/56/40/1170005640.db2.gz LWEHVYNFZXBGRH-JTQLQIEISA-N -1 1 322.365 0.205 20 0 DCADMM Cc1ccc(N(C)C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001605866535 1170016301 /nfs/dbraw/zinc/01/63/01/1170016301.db2.gz RFUYWVMKVDTYRP-SNVBAGLBSA-N -1 1 312.337 0.991 20 0 DCADMM Cc1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c(-c2nn[nH]n2)n1 ZINC001605866860 1170017187 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Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC(=O)OC(C)(C)C ZINC001606167212 1170101179 /nfs/dbraw/zinc/10/11/79/1170101179.db2.gz JIWKZKQPBQOEHW-UHFFFAOYSA-N -1 1 307.310 0.840 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCn3ccnc32)c1-c1nnn[n-]1 ZINC001606179845 1170104259 /nfs/dbraw/zinc/10/42/59/1170104259.db2.gz KHYSYJKSTXIHHU-MRVPVSSYSA-N -1 1 314.309 0.163 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCn3ccnc32)c1-c1nn[n-]n1 ZINC001606179845 1170104262 /nfs/dbraw/zinc/10/42/62/1170104262.db2.gz KHYSYJKSTXIHHU-MRVPVSSYSA-N -1 1 314.309 0.163 20 0 DCADMM CN1C[C@@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)NC1=O ZINC001606197587 1170108740 /nfs/dbraw/zinc/10/87/40/1170108740.db2.gz HBMWIRGMHVXORF-QMMMGPOBSA-N -1 1 303.278 0.223 20 0 DCADMM CN1C[C@@H](OC(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@@H]1C(=O)[O-] ZINC001606205957 1170112473 /nfs/dbraw/zinc/11/24/73/1170112473.db2.gz STHSHZLFWPWMBP-NWDGAFQWSA-N -1 1 316.317 0.786 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2C[C@H]3CCC[C@H]32)c(-c2nn[n-]n2)c1=O ZINC001606206338 1170112922 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CNC(=O)[C@]1(C)CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001606263130 1170141131 /nfs/dbraw/zinc/14/11/31/1170141131.db2.gz HMIFXUHYQSZJQI-MRXNPFEDSA-N -1 1 319.361 0.781 20 0 DCADMM FC(F)(F)C[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001606287357 1170149680 /nfs/dbraw/zinc/14/96/80/1170149680.db2.gz KSXCDIJTRIXZLU-ZETCQYMHSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)(F)C[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001606287357 1170149682 /nfs/dbraw/zinc/14/96/82/1170149682.db2.gz KSXCDIJTRIXZLU-ZETCQYMHSA-N -1 1 315.259 0.814 20 0 DCADMM COC(=O)[C@@H](CCC(=O)[O-])N1CCC[C@@](C)(C(=O)OC)C1 ZINC001606333797 1170162398 /nfs/dbraw/zinc/16/23/98/1170162398.db2.gz VMWHYWCKQPNPIB-QMTHXVAHSA-N -1 1 301.339 0.668 20 0 DCADMM COC(=O)C1(NC(=O)CN[C@H](C(=O)[O-])C2CC2)CCCCC1 ZINC001606353451 1170167703 /nfs/dbraw/zinc/16/77/03/1170167703.db2.gz XRKUXBSKRGVDOL-LBPRGKRZSA-N -1 1 312.366 0.431 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001606413044 1170191547 /nfs/dbraw/zinc/19/15/47/1170191547.db2.gz QHLJLUXTFLLPTQ-SNVBAGLBSA-N -1 1 301.354 0.744 20 0 DCADMM NC(=O)CC[C@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001606413044 1170191549 /nfs/dbraw/zinc/19/15/49/1170191549.db2.gz QHLJLUXTFLLPTQ-SNVBAGLBSA-N -1 1 301.354 0.744 20 0 DCADMM NC(=O)CSc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001606416646 1170192533 /nfs/dbraw/zinc/19/25/33/1170192533.db2.gz BVXQNSPNPSVNLO-UHFFFAOYSA-N -1 1 304.257 0.858 20 0 DCADMM NC(=O)CSc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001606416646 1170192535 /nfs/dbraw/zinc/19/25/35/1170192535.db2.gz BVXQNSPNPSVNLO-UHFFFAOYSA-N -1 1 304.257 0.858 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001606426267 1170196191 /nfs/dbraw/zinc/19/61/91/1170196191.db2.gz WAIIPBPPXVIFJG-JGVFFNPUSA-N -1 1 318.312 0.390 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001606426267 1170196194 /nfs/dbraw/zinc/19/61/94/1170196194.db2.gz WAIIPBPPXVIFJG-JGVFFNPUSA-N -1 1 318.312 0.390 20 0 DCADMM NC(=O)c1ncc(NC(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001606435590 1170199718 /nfs/dbraw/zinc/19/97/18/1170199718.db2.gz XGFJCUIQAHIPJW-UHFFFAOYSA-N -1 1 305.279 0.267 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@@H](O)c1cccc(F)c1 ZINC001606444992 1170204284 /nfs/dbraw/zinc/20/42/84/1170204284.db2.gz JXHNQBQXKGJANY-SNVBAGLBSA-N -1 1 317.284 0.548 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C(F)(F)C1(O)CCCC1 ZINC001606445287 1170205134 /nfs/dbraw/zinc/20/51/34/1170205134.db2.gz RYJQMAUMWODEAR-UHFFFAOYSA-N -1 1 313.268 0.226 20 0 DCADMM O=C([C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)N1CCCC1 ZINC001606475172 1170217606 /nfs/dbraw/zinc/21/76/06/1170217606.db2.gz LOGKJYKGMZNZJV-SNVBAGLBSA-N -1 1 314.353 0.105 20 0 DCADMM COC(=O)Cn1cc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nn1 ZINC001606484176 1170219007 /nfs/dbraw/zinc/21/90/07/1170219007.db2.gz LRUARGVCYJDEGS-LLVKDONJSA-N -1 1 324.381 0.774 20 0 DCADMM O=C(CC[C@@H]1CCCCO1)Cn1cncc(-c2nn[n-]n2)c1=O ZINC001606511924 1170224456 /nfs/dbraw/zinc/22/44/56/1170224456.db2.gz FXOHWTAFEQKDSA-NSHDSACASA-N -1 1 318.337 0.342 20 0 DCADMM COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001606515622 1170225357 /nfs/dbraw/zinc/22/53/57/1170225357.db2.gz ZIEWDKSVVMQIDR-NGZCFLSTSA-N -1 1 309.322 0.111 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@H]1CC[C@@H](O)C1 ZINC001606594780 1170238714 /nfs/dbraw/zinc/23/87/14/1170238714.db2.gz MDVPUNQPTLZWJZ-GXSJLCMTSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@H]1CC[C@@H](O)C1 ZINC001606594780 1170238720 /nfs/dbraw/zinc/23/87/20/1170238720.db2.gz MDVPUNQPTLZWJZ-GXSJLCMTSA-N -1 1 302.338 0.081 20 0 DCADMM COC(C)(C)CCNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001606655652 1170253421 /nfs/dbraw/zinc/25/34/21/1170253421.db2.gz AGFLHFYTVDFXEA-LBPRGKRZSA-N -1 1 315.414 0.992 20 0 DCADMM O=C(N[C@@H]1CCC2(C1)OCCO2)c1coc(-c2nnn[n-]2)c1 ZINC001606657856 1170254023 /nfs/dbraw/zinc/25/40/23/1170254023.db2.gz KGKWZDGGWSWKMQ-SECBINFHSA-N -1 1 305.294 0.485 20 0 DCADMM O=C(N[C@@H]1CCC2(C1)OCCO2)c1coc(-c2nn[n-]n2)c1 ZINC001606657856 1170254029 /nfs/dbraw/zinc/25/40/29/1170254029.db2.gz KGKWZDGGWSWKMQ-SECBINFHSA-N -1 1 305.294 0.485 20 0 DCADMM O=C(N[C@H]1CCCC2(C1)OCCO2)c1ccc(-c2nnn[n-]2)o1 ZINC001606667523 1170257790 /nfs/dbraw/zinc/25/77/90/1170257790.db2.gz PUWZKUMZHBICJM-VIFPVBQESA-N -1 1 319.321 0.875 20 0 DCADMM O=C(N[C@H]1CCCC2(C1)OCCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001606667523 1170257795 /nfs/dbraw/zinc/25/77/95/1170257795.db2.gz PUWZKUMZHBICJM-VIFPVBQESA-N -1 1 319.321 0.875 20 0 DCADMM O=C(NC[C@H](O)c1ccco1)c1ccsc1-c1nnn[n-]1 ZINC001606704186 1170268744 /nfs/dbraw/zinc/26/87/44/1170268744.db2.gz DJGVQBJFQNBBFE-QMMMGPOBSA-N -1 1 305.319 0.985 20 0 DCADMM O=C(NC[C@H](O)c1ccco1)c1ccsc1-c1nn[n-]n1 ZINC001606704186 1170268746 /nfs/dbraw/zinc/26/87/46/1170268746.db2.gz DJGVQBJFQNBBFE-QMMMGPOBSA-N -1 1 305.319 0.985 20 0 DCADMM CO[C@@H]1CN(C(=O)c2ccc3n2CCN[C@@H]3C)[C@@](C)(C(=O)[O-])C1 ZINC001606765237 1170281935 /nfs/dbraw/zinc/28/19/35/1170281935.db2.gz NIBYQWSAXPHMTA-OHUAYANFSA-N -1 1 321.377 0.857 20 0 DCADMM COC[C@H](C)OC[C@H](O)CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC001606798091 1170293657 /nfs/dbraw/zinc/29/36/57/1170293657.db2.gz LBHGHPCSPFSPRC-SMDDNHRTSA-N -1 1 312.366 0.624 20 0 DCADMM COC[C@@]1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CNCCO1 ZINC001606824657 1170302319 /nfs/dbraw/zinc/30/23/19/1170302319.db2.gz SNLPOPSVTCBDBE-MRXNPFEDSA-N -1 1 322.361 0.647 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1SCCS1 ZINC001606842404 1170309878 /nfs/dbraw/zinc/30/98/78/1170309878.db2.gz RCCYSBAGJUYAGB-UHFFFAOYSA-N -1 1 308.392 0.684 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1SCCS1 ZINC001606842404 1170309888 /nfs/dbraw/zinc/30/98/88/1170309888.db2.gz RCCYSBAGJUYAGB-UHFFFAOYSA-N -1 1 308.392 0.684 20 0 DCADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(-c2nnn[n-]2)nc1 ZINC001606879544 1170320775 /nfs/dbraw/zinc/32/07/75/1170320775.db2.gz CHNXFYRLIGEJCO-ZIAGYGMSSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(-c2nn[n-]n2)nc1 ZINC001606879544 1170320781 /nfs/dbraw/zinc/32/07/81/1170320781.db2.gz CHNXFYRLIGEJCO-ZIAGYGMSSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1csc2cncn21 ZINC001606893008 1170323925 /nfs/dbraw/zinc/32/39/25/1170323925.db2.gz FTXKTDYBURYLQA-UHFFFAOYSA-N -1 1 301.295 0.551 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1csc2cncn21 ZINC001606893008 1170323931 /nfs/dbraw/zinc/32/39/31/1170323931.db2.gz FTXKTDYBURYLQA-UHFFFAOYSA-N -1 1 301.295 0.551 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1CO[C@H](C2CC2)C1 ZINC001606935654 1170334016 /nfs/dbraw/zinc/33/40/16/1170334016.db2.gz XXNOVYUKGYOZHV-KOLCDFICSA-N -1 1 315.337 0.951 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1CO[C@H](C2CC2)C1 ZINC001606935654 1170334024 /nfs/dbraw/zinc/33/40/24/1170334024.db2.gz XXNOVYUKGYOZHV-KOLCDFICSA-N -1 1 315.337 0.951 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1CCC[C@H]1CO ZINC001606934684 1170334957 /nfs/dbraw/zinc/33/49/57/1170334957.db2.gz HKSIPGIXGFYGLF-IUCAKERBSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1CCC[C@H]1CO ZINC001606934684 1170334963 /nfs/dbraw/zinc/33/49/63/1170334963.db2.gz HKSIPGIXGFYGLF-IUCAKERBSA-N -1 1 303.326 0.544 20 0 DCADMM O=C([O-])C[NH+]1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001606957973 1170339023 /nfs/dbraw/zinc/33/90/23/1170339023.db2.gz MYNXOYFBQQWMAY-UHFFFAOYSA-N -1 1 303.326 0.223 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC(Oc2nccs2)C1 ZINC001607017317 1170356126 /nfs/dbraw/zinc/35/61/26/1170356126.db2.gz PALWWBYJSRBKEI-UHFFFAOYSA-N -1 1 318.318 0.820 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC(Oc2nccs2)C1 ZINC001607017317 1170356129 /nfs/dbraw/zinc/35/61/29/1170356129.db2.gz PALWWBYJSRBKEI-UHFFFAOYSA-N -1 1 318.318 0.820 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCO[C@H](C2CCC2)C1 ZINC001607026060 1170357619 /nfs/dbraw/zinc/35/76/19/1170357619.db2.gz WAUKONHMVQWNFO-ZDUSSCGKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCO[C@H](C2CCC2)C1 ZINC001607026060 1170357624 /nfs/dbraw/zinc/35/76/24/1170357624.db2.gz WAUKONHMVQWNFO-ZDUSSCGKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@](F)(CO)C1 ZINC001607022423 1170357700 /nfs/dbraw/zinc/35/77/00/1170357700.db2.gz PYUOJGSXPVVBPA-ZDUSSCGKSA-N -1 1 309.276 0.552 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@](F)(CO)C1 ZINC001607022423 1170357708 /nfs/dbraw/zinc/35/77/08/1170357708.db2.gz PYUOJGSXPVVBPA-ZDUSSCGKSA-N -1 1 309.276 0.552 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@]12CCOC2=O ZINC001607021751 1170358487 /nfs/dbraw/zinc/35/84/87/1170358487.db2.gz ACLUFFZPKKJQHY-AWEZNQCLSA-N -1 1 314.305 0.183 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@]12CCOC2=O ZINC001607021751 1170358491 /nfs/dbraw/zinc/35/84/91/1170358491.db2.gz ACLUFFZPKKJQHY-AWEZNQCLSA-N -1 1 314.305 0.183 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001607026932 1170360299 /nfs/dbraw/zinc/36/02/99/1170360299.db2.gz HARDNFMMKDGSSI-MRVPVSSYSA-N -1 1 318.362 0.375 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001607026932 1170360305 /nfs/dbraw/zinc/36/03/05/1170360305.db2.gz HARDNFMMKDGSSI-MRVPVSSYSA-N -1 1 318.362 0.375 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001607030425 1170360716 /nfs/dbraw/zinc/36/07/16/1170360716.db2.gz DCYNKIYYSIPGSP-ZJUUUORDSA-N -1 1 303.322 0.958 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001607030425 1170360723 /nfs/dbraw/zinc/36/07/23/1170360723.db2.gz DCYNKIYYSIPGSP-ZJUUUORDSA-N -1 1 303.322 0.958 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC2CC1(c1ncc[nH]1)C2 ZINC001607031362 1170361296 /nfs/dbraw/zinc/36/12/96/1170361296.db2.gz YMQGQCGHFZSVKL-UHFFFAOYSA-N -1 1 311.305 0.944 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC2CC1(c1ncc[nH]1)C2 ZINC001607031362 1170361302 /nfs/dbraw/zinc/36/13/02/1170361302.db2.gz YMQGQCGHFZSVKL-UHFFFAOYSA-N -1 1 311.305 0.944 20 0 DCADMM O=C1NC2(CCOCC2)C(=O)N1Cc1ccc(-c2nnn[n-]2)o1 ZINC001607048257 1170369025 /nfs/dbraw/zinc/36/90/25/1170369025.db2.gz HFIJFGKZTRJKKC-UHFFFAOYSA-N -1 1 318.293 0.061 20 0 DCADMM O=C1NC2(CCOCC2)C(=O)N1Cc1ccc(-c2nn[n-]n2)o1 ZINC001607048257 1170369034 /nfs/dbraw/zinc/36/90/34/1170369034.db2.gz HFIJFGKZTRJKKC-UHFFFAOYSA-N -1 1 318.293 0.061 20 0 DCADMM O=C1NC[C@@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)O1 ZINC001607049755 1170369358 /nfs/dbraw/zinc/36/93/58/1170369358.db2.gz JLDOTMWFIPSLSZ-QMMMGPOBSA-N -1 1 312.289 0.290 20 0 DCADMM O=S(=O)(NC1(C2CC2)CCC1)c1cccnc1-c1nn[n-]n1 ZINC001607063236 1170376109 /nfs/dbraw/zinc/37/61/09/1170376109.db2.gz OYFPSYFTVRWYJV-UHFFFAOYSA-N -1 1 320.378 0.873 20 0 DCADMM O=S(=O)(NCc1cccnc1)c1cccnc1-c1nn[n-]n1 ZINC001607067265 1170379574 /nfs/dbraw/zinc/37/95/74/1170379574.db2.gz IOGJKSVCHHINLW-UHFFFAOYSA-N -1 1 317.334 0.135 20 0 DCADMM O=S1(=O)CCC[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001607074444 1170381100 /nfs/dbraw/zinc/38/11/00/1170381100.db2.gz VFTSHDGNOIBKEN-MRVPVSSYSA-N -1 1 309.355 0.036 20 0 DCADMM O=S1(=O)CCC[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001607074444 1170381105 /nfs/dbraw/zinc/38/11/05/1170381105.db2.gz VFTSHDGNOIBKEN-MRVPVSSYSA-N -1 1 309.355 0.036 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cc(-c2ccco2)on1 ZINC001607091100 1170390362 /nfs/dbraw/zinc/39/03/62/1170390362.db2.gz HASDMOZHNDXSKI-UHFFFAOYSA-N -1 1 311.261 0.720 20 0 DCADMM O[C@@]1(C(F)(F)F)CCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001607097435 1170391164 /nfs/dbraw/zinc/39/11/64/1170391164.db2.gz CXVQUNPEZHHNMH-VIFPVBQESA-N -1 1 301.232 0.160 20 0 DCADMM OC[C@@H](O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001607101489 1170396185 /nfs/dbraw/zinc/39/61/85/1170396185.db2.gz LQUZPKOKXVOPRO-LURJTMIESA-N -1 1 304.232 0.046 20 0 DCADMM OC[C@@H](O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001607101489 1170396188 /nfs/dbraw/zinc/39/61/88/1170396188.db2.gz LQUZPKOKXVOPRO-LURJTMIESA-N -1 1 304.232 0.046 20 0 DCADMM OC[C@@H](CNc1cncc(-c2nnn[n-]2)n1)Cc1ccco1 ZINC001607102312 1170397161 /nfs/dbraw/zinc/39/71/61/1170397161.db2.gz ANZAJZGCZMUUBH-SECBINFHSA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@@H](CNc1cncc(-c2nn[n-]n2)n1)Cc1ccco1 ZINC001607102312 1170397168 /nfs/dbraw/zinc/39/71/68/1170397168.db2.gz 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CCCc1nc(Cn2cnc(-c3nn[n-]n3)cc2=O)cs1 ZINC001609218150 1170876025 /nfs/dbraw/zinc/87/60/25/1170876025.db2.gz MEVCCPNDMIEEKD-UHFFFAOYSA-N -1 1 303.351 0.881 20 0 DCADMM CCOC(=O)c1cnn(C[C@@H]2CC[C@@H](C)O2)c1-c1nn[n-]n1 ZINC001609235991 1170888701 /nfs/dbraw/zinc/88/87/01/1170888701.db2.gz MASFLSZRUXIGAY-BDAKNGLRSA-N -1 1 306.326 0.807 20 0 DCADMM CCO[C@@H]1C[C@@](O)(CNc2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001609239152 1170890184 /nfs/dbraw/zinc/89/01/84/1170890184.db2.gz ZXHLSVDBHJDZHY-QMTHXVAHSA-N -1 1 319.369 0.635 20 0 DCADMM CCO[C@@H]1C[C@@](O)(CNc2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001609239152 1170890194 /nfs/dbraw/zinc/89/01/94/1170890194.db2.gz ZXHLSVDBHJDZHY-QMTHXVAHSA-N -1 1 319.369 0.635 20 0 DCADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)[C@H]1OC ZINC001609238377 1170890213 /nfs/dbraw/zinc/89/02/13/1170890213.db2.gz KIIFSKJWZJEQNJ-WHGOUJPWSA-N -1 1 307.310 0.382 20 0 DCADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)[C@H]1OC ZINC001609238377 1170890226 /nfs/dbraw/zinc/89/02/26/1170890226.db2.gz KIIFSKJWZJEQNJ-WHGOUJPWSA-N -1 1 307.310 0.382 20 0 DCADMM CCO[C@@H]1C[C@](O)(CNc2ncncc2-c2nn[n-]n2)C1(C)C ZINC001609238306 1170892062 /nfs/dbraw/zinc/89/20/62/1170892062.db2.gz IVXHBJAGHMLXDM-YGRLFVJLSA-N -1 1 319.369 0.635 20 0 DCADMM CCSCC[C@H](C)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609248594 1170896467 /nfs/dbraw/zinc/89/64/67/1170896467.db2.gz IJENBPFYQFUKMH-DTWKUNHWSA-N -1 1 324.414 0.667 20 0 DCADMM CN(C(=O)NCCn1cnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001609261603 1170902746 /nfs/dbraw/zinc/90/27/46/1170902746.db2.gz MQSHSJXWGOFISC-UHFFFAOYSA-N -1 1 319.373 0.432 20 0 DCADMM CCn1nnc(C)c1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609260853 1170902912 /nfs/dbraw/zinc/90/29/12/1170902912.db2.gz UDSUBHQBPGMYJC-UHFFFAOYSA-N -1 1 303.282 0.737 20 0 DCADMM CN([C@H]1CCCOC1)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001609271014 1170905402 /nfs/dbraw/zinc/90/54/02/1170905402.db2.gz QIYKBJHHJDBJGW-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM CN(Cc1nccs1)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609281752 1170909003 /nfs/dbraw/zinc/90/90/03/1170909003.db2.gz BBLYVWUEKJPSOV-UHFFFAOYSA-N -1 1 303.351 0.574 20 0 DCADMM COC(=O)c1ccc(Sc2nccn2C)c(-c2nnn[n-]2)n1 ZINC001609304225 1170924886 /nfs/dbraw/zinc/92/48/86/1170924886.db2.gz JWFHZKRJYRGJLI-UHFFFAOYSA-N -1 1 317.334 0.933 20 0 DCADMM COC(=O)c1ccc(Sc2nccn2C)c(-c2nn[n-]n2)n1 ZINC001609304225 1170924895 /nfs/dbraw/zinc/92/48/95/1170924895.db2.gz JWFHZKRJYRGJLI-UHFFFAOYSA-N -1 1 317.334 0.933 20 0 DCADMM COCC(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1cccnc1 ZINC001609316140 1170931257 /nfs/dbraw/zinc/93/12/57/1170931257.db2.gz HISRAYNAIDVKCO-UHFFFAOYSA-N -1 1 314.309 0.341 20 0 DCADMM COCC(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1cccnc1 ZINC001609316140 1170931262 /nfs/dbraw/zinc/93/12/62/1170931262.db2.gz HISRAYNAIDVKCO-UHFFFAOYSA-N -1 1 314.309 0.341 20 0 DCADMM COCCOC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001609327162 1170940880 /nfs/dbraw/zinc/94/08/80/1170940880.db2.gz ZTXVMTPXKWWQNI-SNVBAGLBSA-N -1 1 305.342 0.146 20 0 DCADMM COCCOC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001609327162 1170940881 /nfs/dbraw/zinc/94/08/81/1170940881.db2.gz ZTXVMTPXKWWQNI-SNVBAGLBSA-N -1 1 305.342 0.146 20 0 DCADMM CON(C1CCCC1)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001609331964 1170942071 /nfs/dbraw/zinc/94/20/71/1170942071.db2.gz NBSCGGLYKFKVOJ-UHFFFAOYSA-N -1 1 324.366 0.756 20 0 DCADMM COc1nn(C)cc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001609365560 1170949810 /nfs/dbraw/zinc/94/98/10/1170949810.db2.gz DBBUBBKOBADRKZ-UHFFFAOYSA-N -1 1 318.297 0.086 20 0 DCADMM COc1nn(C)cc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001609365560 1170949814 /nfs/dbraw/zinc/94/98/14/1170949814.db2.gz DBBUBBKOBADRKZ-UHFFFAOYSA-N -1 1 318.297 0.086 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)NCCCCO)cc1-c1nn[n-]n1 ZINC001609371980 1170952306 /nfs/dbraw/zinc/95/23/06/1170952306.db2.gz ICFFCZKOVGJGKZ-UHFFFAOYSA-N -1 1 324.366 0.192 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc(Cl)n(C)n2)nn1C ZINC001609379053 1170957817 /nfs/dbraw/zinc/95/78/17/1170957817.db2.gz PUBFMNCYMBHWSA-UHFFFAOYSA-N -1 1 321.732 0.548 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc(Cl)n(C)n2)nn1C ZINC001609379053 1170957818 /nfs/dbraw/zinc/95/78/18/1170957818.db2.gz PUBFMNCYMBHWSA-UHFFFAOYSA-N -1 1 321.732 0.548 20 0 DCADMM Cc1nsc(NC(=O)NC[C@@H]2CCC[C@H]2O)c1-c1nnn[n-]1 ZINC001609465302 1170987788 /nfs/dbraw/zinc/98/77/88/1170987788.db2.gz KPRUXRWGOJSLSW-JGVFFNPUSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)NC[C@@H]2CCC[C@H]2O)c1-c1nn[n-]n1 ZINC001609465302 1170987793 /nfs/dbraw/zinc/98/77/93/1170987793.db2.gz KPRUXRWGOJSLSW-JGVFFNPUSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCn2ncnc2C1 ZINC001609466505 1170989777 /nfs/dbraw/zinc/98/97/77/1170989777.db2.gz CIYUENGUANQTAF-UHFFFAOYSA-N -1 1 300.282 0.016 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCn2ncnc2C1 ZINC001609466505 1170989781 /nfs/dbraw/zinc/98/97/81/1170989781.db2.gz CIYUENGUANQTAF-UHFFFAOYSA-N -1 1 300.282 0.016 20 0 DCADMM Cc1sccc1CC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609471919 1170990283 /nfs/dbraw/zinc/99/02/83/1170990283.db2.gz CBLSSXBWQJWWIZ-UHFFFAOYSA-N -1 1 318.366 0.187 20 0 DCADMM Cn1ccnc1[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609480590 1170993540 /nfs/dbraw/zinc/99/35/40/1170993540.db2.gz NSBFBQWDYYGPBJ-SNVBAGLBSA-N -1 1 324.348 0.625 20 0 DCADMM Cn1ccnc1[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609480590 1170993544 /nfs/dbraw/zinc/99/35/44/1170993544.db2.gz NSBFBQWDYYGPBJ-SNVBAGLBSA-N -1 1 324.348 0.625 20 0 DCADMM Cn1nc(C2CC2)nc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001609481826 1170993882 /nfs/dbraw/zinc/99/38/82/1170993882.db2.gz QJIAEGFWCORAPP-UHFFFAOYSA-N -1 1 316.300 0.986 20 0 DCADMM Nc1cc(C2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)[nH]n1 ZINC001609510970 1171004973 /nfs/dbraw/zinc/00/49/73/1171004973.db2.gz QGMBBRMZCHVMCZ-UHFFFAOYSA-N -1 1 312.341 0.346 20 0 DCADMM Nc1cc(C2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)[nH]n1 ZINC001609510970 1171004979 /nfs/dbraw/zinc/00/49/79/1171004979.db2.gz QGMBBRMZCHVMCZ-UHFFFAOYSA-N -1 1 312.341 0.346 20 0 DCADMM O=C(N[C@@H]1CCCCNC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609541227 1171014960 /nfs/dbraw/zinc/01/49/60/1171014960.db2.gz CTVNSEJMEJBJMA-SNVBAGLBSA-N -1 1 318.312 0.404 20 0 DCADMM O=C(N[C@@H]1CCCCNC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609541227 1171014965 /nfs/dbraw/zinc/01/49/65/1171014965.db2.gz CTVNSEJMEJBJMA-SNVBAGLBSA-N -1 1 318.312 0.404 20 0 DCADMM O=C(NC1CC1)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609540092 1171015565 /nfs/dbraw/zinc/01/55/65/1171015565.db2.gz MWSTXDHSNQYPGL-SNVBAGLBSA-N -1 1 313.365 0.757 20 0 DCADMM O=C(NC1CC1)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609540092 1171015571 /nfs/dbraw/zinc/01/55/71/1171015571.db2.gz MWSTXDHSNQYPGL-SNVBAGLBSA-N -1 1 313.365 0.757 20 0 DCADMM O=C(NCCCNc1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001609547891 1171016330 /nfs/dbraw/zinc/01/63/30/1171016330.db2.gz GZRNVUMEJWGNHL-UHFFFAOYSA-N -1 1 301.354 0.980 20 0 DCADMM O=C(NCCCNc1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001609547891 1171016335 /nfs/dbraw/zinc/01/63/35/1171016335.db2.gz GZRNVUMEJWGNHL-UHFFFAOYSA-N -1 1 301.354 0.980 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H](CCO)C1CC1 ZINC001609566995 1171022653 /nfs/dbraw/zinc/02/26/53/1171022653.db2.gz NJMRPWUYKNFMAZ-VIFPVBQESA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H](CCO)C1CC1 ZINC001609566995 1171022657 /nfs/dbraw/zinc/02/26/57/1171022657.db2.gz NJMRPWUYKNFMAZ-VIFPVBQESA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@@](O)(C2CC2)C1 ZINC001609566916 1171023078 /nfs/dbraw/zinc/02/30/78/1171023078.db2.gz KMTRNPVAZFVDLS-AWEZNQCLSA-N -1 1 315.337 0.640 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@@](O)(C2CC2)C1 ZINC001609566916 1171023085 /nfs/dbraw/zinc/02/30/85/1171023085.db2.gz KMTRNPVAZFVDLS-AWEZNQCLSA-N -1 1 315.337 0.640 20 0 DCADMM O=C(OC[C@H]1CCC[C@H](O)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609573614 1171025941 /nfs/dbraw/zinc/02/59/41/1171025941.db2.gz HZNBXSDRVVOGLJ-ONGXEEELSA-N -1 1 303.322 0.970 20 0 DCADMM O=C(OC[C@H]1CCC[C@H](O)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609573614 1171025956 /nfs/dbraw/zinc/02/59/56/1171025956.db2.gz HZNBXSDRVVOGLJ-ONGXEEELSA-N -1 1 303.322 0.970 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](O)C12CCCC2 ZINC001609581417 1171026293 /nfs/dbraw/zinc/02/62/93/1171026293.db2.gz FRQARJLEORTUHD-LBPRGKRZSA-N -1 1 314.349 0.781 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](O)C12CCCC2 ZINC001609581417 1171026298 /nfs/dbraw/zinc/02/62/98/1171026298.db2.gz FRQARJLEORTUHD-LBPRGKRZSA-N -1 1 314.349 0.781 20 0 DCADMM O=C1OCC[C@H]2CN(c3cccnc3-c3nnn[n-]3)CCN12 ZINC001609590649 1171034188 /nfs/dbraw/zinc/03/41/88/1171034188.db2.gz IKPREKNRSWLDPV-VIFPVBQESA-N -1 1 301.310 0.293 20 0 DCADMM O=C1OCC[C@H]2CN(c3cccnc3-c3nn[n-]n3)CCN12 ZINC001609590649 1171034195 /nfs/dbraw/zinc/03/41/95/1171034195.db2.gz IKPREKNRSWLDPV-VIFPVBQESA-N -1 1 301.310 0.293 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1CC1CCC2(CC1)OCCO2 ZINC001609604820 1171040319 /nfs/dbraw/zinc/04/03/19/1171040319.db2.gz PPZJPRNLEVFFMF-UHFFFAOYSA-N -1 1 318.337 0.357 20 0 DCADMM CC(C)C[C@@H](NC(=O)CN1C[C@H]2CCC[C@@H](C1)C2O)C(=O)[O-] ZINC001609693334 1171067258 /nfs/dbraw/zinc/06/72/58/1171067258.db2.gz KCSFYUAMDXONGN-WORDMNGFSA-N -1 1 312.410 0.695 20 0 DCADMM CC(C)C[C@@H](NC(=O)CN1CC[C@@H](O)CC12CCC2)C(=O)[O-] ZINC001609693213 1171068202 /nfs/dbraw/zinc/06/82/02/1171068202.db2.gz BKPSZZPUSPSJQQ-CHWSQXEVSA-N -1 1 312.410 0.981 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)COCc1ccncc1 ZINC001609869250 1171109209 /nfs/dbraw/zinc/10/92/09/1171109209.db2.gz VOXFUCKCQHORFH-CYBMUJFWSA-N -1 1 321.377 0.606 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cnn2ccccc12 ZINC001609873032 1171111683 /nfs/dbraw/zinc/11/16/83/1171111683.db2.gz ZLGJSTICDALNJQ-LBPRGKRZSA-N -1 1 316.361 0.955 20 0 DCADMM CCCn1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cn1 ZINC001609987583 1171132064 /nfs/dbraw/zinc/13/20/64/1171132064.db2.gz HYWAJSCXFSKAJK-LBPRGKRZSA-N -1 1 308.382 0.914 20 0 DCADMM CN1C[C@H](CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)OC1=O ZINC001610133138 1171168791 /nfs/dbraw/zinc/16/87/91/1171168791.db2.gz HNLAPURBDZAYON-VHSXEESVSA-N -1 1 309.326 0.064 20 0 DCADMM Cn1ncc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c1Cl ZINC001610136222 1171170678 /nfs/dbraw/zinc/17/06/78/1171170678.db2.gz BVMKCJNZMYIQNH-QMMMGPOBSA-N -1 1 300.746 0.162 20 0 DCADMM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC001610166941 1171183852 /nfs/dbraw/zinc/18/38/52/1171183852.db2.gz CUCKRPZTPCFQOV-BXKDBHETSA-N -1 1 321.333 0.766 20 0 DCADMM COC(=O)c1ncn(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC001610220084 1171198070 /nfs/dbraw/zinc/19/80/70/1171198070.db2.gz BEOZSMFDDQRJTE-JTQLQIEISA-N -1 1 310.354 0.845 20 0 DCADMM COCCCn1c(=O)[nH]nc1SC[C@H]1CC(C(=O)[O-])=NO1 ZINC001610257979 1171211775 /nfs/dbraw/zinc/21/17/75/1171211775.db2.gz GCDAZYXHVMIUEY-SSDOTTSWSA-N -1 1 316.339 0.342 20 0 DCADMM COc1ccc2c(c1)CN(CCC(=O)N(C)CC(=O)[O-])CCO2 ZINC001610349095 1171222412 /nfs/dbraw/zinc/22/24/12/1171222412.db2.gz LEYJCAUGZBXMOE-UHFFFAOYSA-N -1 1 322.361 0.823 20 0 DCADMM C[C@@H]1CN(CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)C[C@H]1C(=O)[O-] ZINC001610392637 1171229542 /nfs/dbraw/zinc/22/95/42/1171229542.db2.gz WZGPSWHIVNJSSD-IQMDTDKHSA-N -1 1 311.382 0.953 20 0 DCADMM O=C([O-])[C@@H](O)CNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC001610695372 1171294306 /nfs/dbraw/zinc/29/43/06/1171294306.db2.gz CVQKAHUXEZABGO-KGLIPLIRSA-N -1 1 306.362 0.603 20 0 DCADMM O=C([O-])[C@H](O)C1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC001610722743 1171298751 /nfs/dbraw/zinc/29/87/51/1171298751.db2.gz PACCQSJDPAKFRS-ZWNOBZJWSA-N -1 1 322.365 0.134 20 0 DCADMM O=C([O-])CCNC(=O)CN1CCC(CO)(c2ccccc2)CC1 ZINC001610774267 1171319301 /nfs/dbraw/zinc/31/93/01/1171319301.db2.gz MLZIISWNYKIXRK-UHFFFAOYSA-N -1 1 320.389 0.603 20 0 DCADMM O=C([O-])CNC(=O)CCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001610781865 1171322733 /nfs/dbraw/zinc/32/27/33/1171322733.db2.gz PEKPPMNODGKHGJ-CJNGLKHVSA-N -1 1 324.352 0.377 20 0 DCADMM O=C([O-])c1cncc(C(=O)Nc2nc(SCCO)n[nH]2)c1 ZINC001610862509 1171344509 /nfs/dbraw/zinc/34/45/09/1171344509.db2.gz POZNRBKNOOSWJA-UHFFFAOYSA-N -1 1 309.307 0.235 20 0 DCADMM CN(C(=O)C=Cc1ccc2c(c1)NC(=O)CO2)c1nn[n-]n1 ZINC001617642651 1171390207 /nfs/dbraw/zinc/39/02/07/1171390207.db2.gz UGDDCBPDOCNDHH-HWKANZROSA-N -1 1 300.278 0.207 20 0 DCADMM O=C(NCCN1C(=O)CCCC1=O)c1cnc(C2CC2)[n-]c1=O ZINC001618289742 1171395471 /nfs/dbraw/zinc/39/54/71/1171395471.db2.gz QBCUASGMUHFIMS-UHFFFAOYSA-N -1 1 318.333 0.329 20 0 DCADMM CCC(C)(C)[C@@H](O)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001623802028 1171443982 /nfs/dbraw/zinc/44/39/82/1171443982.db2.gz MBXMTMOKLYXKEC-NSHDSACASA-N -1 1 316.379 0.775 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCOC[C@@H]2CC(N)=O)c1 ZINC001626703470 1171486753 /nfs/dbraw/zinc/48/67/53/1171486753.db2.gz MPHWFOGVNOBXAR-NSHDSACASA-N -1 1 306.318 0.230 20 0 DCADMM O=C(C=Cc1ccncn1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001630783754 1171580185 /nfs/dbraw/zinc/58/01/85/1171580185.db2.gz QQDPYEKRKVQVCK-LMVHVUTASA-N -1 1 307.317 0.909 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCn1cncn1 ZINC001631574079 1171596082 /nfs/dbraw/zinc/59/60/82/1171596082.db2.gz ABYCRIBCPBKAHL-UHFFFAOYSA-N -1 1 308.367 0.624 20 0 DCADMM C[C@H]1CCCN(c2nnc(-c3nnn[n-]3)n2C[C@@H]2CCOC2)C1 ZINC001649242319 1171610481 /nfs/dbraw/zinc/61/04/81/1171610481.db2.gz UIRMHIUCBKUNAM-QWRGUYRKSA-N -1 1 318.385 0.731 20 0 DCADMM C[C@H]1CCCN(c2nnc(-c3nn[n-]n3)n2C[C@@H]2CCOC2)C1 ZINC001649242319 1171610484 /nfs/dbraw/zinc/61/04/84/1171610484.db2.gz UIRMHIUCBKUNAM-QWRGUYRKSA-N -1 1 318.385 0.731 20 0 DCADMM Cc1nc[nH]c1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001632570985 1171619076 /nfs/dbraw/zinc/61/90/76/1171619076.db2.gz LGOOBUICFSNTIG-UHFFFAOYSA-N -1 1 310.335 0.252 20 0 DCADMM O=C(c1cc2ncccn2n1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001633715337 1171651707 /nfs/dbraw/zinc/65/17/07/1171651707.db2.gz JKYCVEZCBUWXEJ-VIFPVBQESA-N -1 1 314.305 0.838 20 0 DCADMM O=C(c1cnc2cc[nH]c2c1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895431 1171655266 /nfs/dbraw/zinc/65/52/66/1171655266.db2.gz DELZWQJBJZIHCT-UHFFFAOYSA-N -1 1 313.321 0.200 20 0 DCADMM O=C(c1cncc2[nH]ccc21)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001633895477 1171655376 /nfs/dbraw/zinc/65/53/76/1171655376.db2.gz GGTGGTWRPHJSKZ-UHFFFAOYSA-N -1 1 313.321 0.200 20 0 DCADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@]1(C2CCCC2)CCNC1=O ZINC001634158044 1171663244 /nfs/dbraw/zinc/66/32/44/1171663244.db2.gz VWSOXVMVBSAVRH-OAHLLOKOSA-N -1 1 320.349 0.201 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCc1nc2cc(F)ccc2[nH]1 ZINC001634435654 1171675444 /nfs/dbraw/zinc/67/54/44/1171675444.db2.gz SGOFVUPUMFCNPW-UHFFFAOYSA-N -1 1 303.301 0.854 20 0 DCADMM COC[C@H](NC(=O)C=Cc1ccc(C(=O)OC)o1)c1nn[n-]n1 ZINC001638143494 1171788523 /nfs/dbraw/zinc/78/85/23/1171788523.db2.gz HZJPZMJMKFWHAU-DNQSNQRASA-N -1 1 321.293 0.096 20 0 DCADMM CC(=CC(=O)N1CCSC[C@H]1c1nn[n-]n1)c1cnccn1 ZINC001639025463 1171818641 /nfs/dbraw/zinc/81/86/41/1171818641.db2.gz NWRXYGMWRRJXHE-LAHYYIKRSA-N -1 1 317.378 0.710 20 0 DCADMM C[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)C(=O)NCCF ZINC001639452879 1171838496 /nfs/dbraw/zinc/83/84/96/1171838496.db2.gz SRMBTEBOLSWVGP-SSDOTTSWSA-N -1 1 311.342 0.222 20 0 DCADMM O=C(N[C@H](CO)C1CCOCC1)c1ccc2n[n-]c(=S)n2c1 ZINC001639780746 1171851911 /nfs/dbraw/zinc/85/19/11/1171851911.db2.gz PHADMHWUDJJGEE-LLVKDONJSA-N -1 1 322.390 0.535 20 0 DCADMM COc1cnc([C@H]2CCCN2C(=O)c2ccc[n+]([O-])c2)[n-]c1=O ZINC001640131994 1171867363 /nfs/dbraw/zinc/86/73/63/1171867363.db2.gz DLQNBRQYQFXRAB-LLVKDONJSA-N -1 1 316.317 0.802 20 0 DCADMM Cc1c(F)ccc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)c1N ZINC001642264243 1171941917 /nfs/dbraw/zinc/94/19/17/1171941917.db2.gz VEBOKPXNNDORGU-JTQLQIEISA-N -1 1 306.301 0.443 20 0 DCADMM COc1cnc(F)c(NC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC001642787545 1171954971 /nfs/dbraw/zinc/95/49/71/1171954971.db2.gz MLCYNBJAPHXWMU-UHFFFAOYSA-N -1 1 320.280 0.698 20 0 DCADMM O=C(Nc1cccc(F)c1[O-])c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001642773017 1171955657 /nfs/dbraw/zinc/95/56/57/1171955657.db2.gz XBBWTWHWKCQDPX-ZETCQYMHSA-N -1 1 321.268 0.484 20 0 DCADMM C[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001643132777 1171966541 /nfs/dbraw/zinc/96/65/41/1171966541.db2.gz MMQOUFKNKOZJAO-SECBINFHSA-N -1 1 309.370 0.884 20 0 DCADMM CCOCCn1cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)cn1 ZINC001643390765 1171974058 /nfs/dbraw/zinc/97/40/58/1171974058.db2.gz AHENQEHRXGUVBA-JTQLQIEISA-N -1 1 305.342 0.062 20 0 DCADMM COC[C@H](NC(=O)c1ccnc(-n2cccc2)c1)c1nn[n-]n1 ZINC001645319772 1172036686 /nfs/dbraw/zinc/03/66/86/1172036686.db2.gz KTOSRGFZORCMGO-NSHDSACASA-N -1 1 313.321 0.503 20 0 DCADMM COC(=O)N(C)CCNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001645514841 1172044569 /nfs/dbraw/zinc/04/45/69/1172044569.db2.gz CCHCWKVODXNPGC-UHFFFAOYSA-N -1 1 300.340 0.207 20 0 DCADMM O=C(c1ncc(Cl)s1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001645745024 1172122176 /nfs/dbraw/zinc/12/21/76/1172122176.db2.gz PPPZJWMZVRNOCJ-RXMQYKEDSA-N -1 1 300.731 0.523 20 0 DCADMM COCn1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)n1 ZINC001645984386 1172205604 /nfs/dbraw/zinc/20/56/04/1172205604.db2.gz MRDWVKXMXYFESE-UHFFFAOYSA-N -1 1 307.310 0.595 20 0 DCADMM CCNC(=O)N1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001646126989 1172264153 /nfs/dbraw/zinc/26/41/53/1172264153.db2.gz ZRIPLHPKTHCLNN-UHFFFAOYSA-N -1 1 321.381 0.102 20 0 DCADMM O=c1cc(CN2CCC3(CCNC(=O)O3)CC2)nc2cc[n-]n21 ZINC001646329286 1172337848 /nfs/dbraw/zinc/33/78/48/1172337848.db2.gz FZRHXAKXUAQNDP-UHFFFAOYSA-N -1 1 317.349 0.487 20 0 DCADMM O=C(c1cnncc1[O-])N1CCN(c2ncccc2F)CC1 ZINC001646588588 1172433307 /nfs/dbraw/zinc/43/33/07/1172433307.db2.gz ITTYNHAUEMGPEN-UHFFFAOYSA-N -1 1 303.297 0.679 20 0 DCADMM CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2nnn[n-]2)n1CCOC ZINC001646821620 1172550972 /nfs/dbraw/zinc/55/09/72/1172550972.db2.gz UVPAWUIVVYXFQP-GHMZBOCLSA-N -1 1 320.401 0.653 20 0 DCADMM CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2nn[n-]n2)n1CCOC ZINC001646821620 1172550977 /nfs/dbraw/zinc/55/09/77/1172550977.db2.gz UVPAWUIVVYXFQP-GHMZBOCLSA-N -1 1 320.401 0.653 20 0 DCADMM CN(CCC(=O)[O-])CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC001647109757 1172679676 /nfs/dbraw/zinc/67/96/76/1172679676.db2.gz IKYBNMPTFGEZRO-UHFFFAOYSA-N -1 1 321.377 0.297 20 0 DCADMM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001647136572 1172695231 /nfs/dbraw/zinc/69/52/31/1172695231.db2.gz NLTQODSOPXDWNR-JTQLQIEISA-N -1 1 319.369 0.170 20 0 DCADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1cnnn1C)c1ccccc1 ZINC001647172027 1172717804 /nfs/dbraw/zinc/71/78/04/1172717804.db2.gz WNZHDHKRJUGVHI-CYBMUJFWSA-N -1 1 324.362 0.182 20 0 DCADMM C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(C(=O)[O-])nn1C ZINC001647344929 1172828152 /nfs/dbraw/zinc/82/81/52/1172828152.db2.gz XYEICUUZEMTFFP-DGCLKSJQSA-N -1 1 308.382 0.413 20 0 DCADMM O=C(CCn1cccn1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001647351547 1172832916 /nfs/dbraw/zinc/83/29/16/1172832916.db2.gz JYXIOTUKMOALQK-UHFFFAOYSA-N -1 1 304.272 0.410 20 0 DCADMM O=C(c1csc(C2CC2)n1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001647417533 1172874075 /nfs/dbraw/zinc/87/40/75/1172874075.db2.gz PKOUNPMBQDVKMH-UHFFFAOYSA-N -1 1 320.378 0.657 20 0 DCADMM C[C@H](CNC(=O)c1cc(C(=O)[O-])ccn1)N1CCN(C)CC1 ZINC001647424783 1172880996 /nfs/dbraw/zinc/88/09/96/1172880996.db2.gz RLYLAUANOCWOBA-LLVKDONJSA-N -1 1 306.366 0.146 20 0 DCADMM CC(=O)c1ccc(C(=O)N2CCCN(CC(=O)[O-])CC2)cc1O ZINC001647424109 1172882262 /nfs/dbraw/zinc/88/22/62/1172882262.db2.gz DHSYPWARVOILMX-UHFFFAOYSA-N -1 1 320.345 0.827 20 0 DCADMM COc1cncc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001647424661 1172882666 /nfs/dbraw/zinc/88/26/66/1172882666.db2.gz FZHLXNXBJKDEKZ-GFCCVEGCSA-N -1 1 307.350 0.503 20 0 DCADMM COc1cncc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001647424661 1172882673 /nfs/dbraw/zinc/88/26/73/1172882673.db2.gz FZHLXNXBJKDEKZ-GFCCVEGCSA-N -1 1 307.350 0.503 20 0 DCADMM O=C(CO[C@@H]1CCOC1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001647427844 1172886006 /nfs/dbraw/zinc/88/60/06/1172886006.db2.gz XTGJJCDDSWEUGW-DGCLKSJQSA-N -1 1 303.322 0.211 20 0 DCADMM CCC1(CC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)COC1 ZINC001647480565 1172919198 /nfs/dbraw/zinc/91/91/98/1172919198.db2.gz GRKFGNLQJVCGOE-UHFFFAOYSA-N -1 1 307.350 0.688 20 0 DCADMM O=C([O-])CN1CC[C@@H](N2CC[C@H](Cc3nccs3)C2)C1=O ZINC001647548678 1172965694 /nfs/dbraw/zinc/96/56/94/1172965694.db2.gz WHAPEZJCBAIZHJ-GHMZBOCLSA-N -1 1 309.391 0.693 20 0 DCADMM COCCN(C[C@H](O)C(F)(F)F)C(=O)c1cnncc1[O-] ZINC001647600464 1172993066 /nfs/dbraw/zinc/99/30/66/1172993066.db2.gz JZDIEVOTHTXJJB-VIFPVBQESA-N -1 1 309.244 0.194 20 0 DCADMM CCn1c(-c2nnn[n-]2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001647697107 1173040158 /nfs/dbraw/zinc/04/01/58/1173040158.db2.gz OFIKKSFPRIVIOZ-ZDUSSCGKSA-N -1 1 306.374 0.874 20 0 DCADMM CCn1c(-c2nn[n-]n2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001647697107 1173040161 /nfs/dbraw/zinc/04/01/61/1173040161.db2.gz OFIKKSFPRIVIOZ-ZDUSSCGKSA-N -1 1 306.374 0.874 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cnc2n[nH]cc2c1 ZINC001647948198 1173062114 /nfs/dbraw/zinc/06/21/14/1173062114.db2.gz WRUBRUZRVDEYCY-LBPRGKRZSA-N -1 1 320.316 0.990 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCc1ccnc(F)c1 ZINC001648106984 1173066570 /nfs/dbraw/zinc/06/65/70/1173066570.db2.gz QXSBWVVNULMJNZ-UHFFFAOYSA-N -1 1 304.281 0.368 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)[C@H](CC)C(=O)OCC)n[n-]1 ZINC001648717025 1173079409 /nfs/dbraw/zinc/07/94/09/1173079409.db2.gz JSUMWGBFPPFLDH-QMMMGPOBSA-N -1 1 312.326 0.187 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](CC)C(=O)OCC)n1 ZINC001648717025 1173079416 /nfs/dbraw/zinc/07/94/16/1173079416.db2.gz JSUMWGBFPPFLDH-QMMMGPOBSA-N -1 1 312.326 0.187 20 0 DCADMM COCc1ncsc1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001649337481 1173114538 /nfs/dbraw/zinc/11/45/38/1173114538.db2.gz DMKUEZVSMOIDCN-SECBINFHSA-N -1 1 322.394 0.898 20 0 DCADMM CN1CCN(C(=O)CNC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC001649352161 1173125363 /nfs/dbraw/zinc/12/53/63/1173125363.db2.gz BNVLNYITOGATPQ-UHFFFAOYSA-N -1 1 311.769 0.549 20 0 DCADMM Cc1c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)ccc2cncn21 ZINC001649748670 1173198043 /nfs/dbraw/zinc/19/80/43/1173198043.db2.gz IRMHOTUSIGYOJG-LLVKDONJSA-N -1 1 323.374 0.739 20 0 DCADMM C[C@@H]1[C@H](C(=O)[O-])CCN1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC001649864185 1173269578 /nfs/dbraw/zinc/26/95/78/1173269578.db2.gz JJNJETVWLWMNOF-NXEZZACHSA-N -1 1 323.374 0.804 20 0 DCADMM CC[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)CN2C)C[C@@]1(F)C(=O)[O-] ZINC001650025276 1173387324 /nfs/dbraw/zinc/38/73/24/1173387324.db2.gz DKMWKBLVDXCGJX-QOBDMFJFSA-N -1 1 302.346 0.103 20 0 DCADMM COc1cnc([C@@H]2CCCN2C(=O)c2ccnn2C)[n-]c1=O ZINC001650068523 1173421759 /nfs/dbraw/zinc/42/17/59/1173421759.db2.gz IHBWZDIQARWVKC-VIFPVBQESA-N -1 1 303.322 0.902 20 0 DCADMM CC[C@H]1CN(c2nnc(-c3nnn[n-]3)n2CC(C)C)CCO1 ZINC001650457374 1173646253 /nfs/dbraw/zinc/64/62/53/1173646253.db2.gz XDYBJURLYPPXOJ-JTQLQIEISA-N -1 1 306.374 0.729 20 0 DCADMM CC[C@H]1CN(c2nnc(-c3nn[n-]n3)n2CC(C)C)CCO1 ZINC001650457374 1173646254 /nfs/dbraw/zinc/64/62/54/1173646254.db2.gz XDYBJURLYPPXOJ-JTQLQIEISA-N -1 1 306.374 0.729 20 0 DCADMM COCCN(CCF)c1nnc(Cc2nnn[n-]2)n1CC1CC1 ZINC001650523021 1173666899 /nfs/dbraw/zinc/66/68/99/1173666899.db2.gz KLMZZZTZISVCQQ-UHFFFAOYSA-N -1 1 324.364 0.214 20 0 DCADMM COCCN(CCF)c1nnc(Cc2nn[n-]n2)n1CC1CC1 ZINC001650523021 1173666901 /nfs/dbraw/zinc/66/69/01/1173666901.db2.gz KLMZZZTZISVCQQ-UHFFFAOYSA-N -1 1 324.364 0.214 20 0 DCADMM NC(=O)CSCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC001656638061 1173870210 /nfs/dbraw/zinc/87/02/10/1173870210.db2.gz HKVMRNBDKAAUED-UHFFFAOYSA-N -1 1 318.301 0.763 20 0 DCADMM COC(=O)/C=C\[C@@H](C)[N-]S(=O)(=O)c1csnc1OC ZINC001657443291 1173912245 /nfs/dbraw/zinc/91/22/45/1173912245.db2.gz LJVZYOHKJVMXIW-IQXGSHKSSA-N -1 1 306.365 0.548 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)Oc2ccc(C=O)cc2)n[n-]1 ZINC001661023672 1174085991 /nfs/dbraw/zinc/08/59/91/1174085991.db2.gz DYXWZKSEIFCPHK-UHFFFAOYSA-N -1 1 310.287 0.777 20 0 DCADMM C[C@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)/C=C\C(C)(C)C ZINC001669782757 1174950135 /nfs/dbraw/zinc/95/01/35/1174950135.db2.gz JLRQCZPLMPXSHW-SKVAFPRGSA-N -1 1 309.414 0.647 20 0 DCADMM COC(=O)/C=C\[C@@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC001672228630 1175089401 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O=C(c1ccon1)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088271315 749325969 /nfs/dbraw/zinc/32/59/69/749325969.db2.gz CWBDZWQOXZHAJZ-JTQLQIEISA-N -1 1 320.353 0.673 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CC=CCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088465510 749472263 /nfs/dbraw/zinc/47/22/63/749472263.db2.gz RKLKGACQOUQTLO-AGIUHOORSA-N -1 1 319.409 0.544 20 0 DCADMM COc1ccnc(NCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001101560997 749591152 /nfs/dbraw/zinc/59/11/52/749591152.db2.gz CCOAKQVYVVGFDC-UHFFFAOYSA-N -1 1 303.322 0.770 20 0 DCADMM CN(C)c1nc(NC(=O)CCS(C)(=O)=O)c(N=O)c(=O)[n-]1 ZINC001142528804 749889958 /nfs/dbraw/zinc/88/99/58/749889958.db2.gz RYYIUVSWOQHDOU-UHFFFAOYSA-N -1 1 317.327 0.019 20 0 DCADMM CSc1nc(CNC(=O)C=Cc2cnn(C)c2)cc(=O)[n-]1 ZINC001143611925 750723993 /nfs/dbraw/zinc/72/39/93/750723993.db2.gz CCJITODYXHECGJ-ARJAWSKDSA-N -1 1 305.363 0.967 20 0 DCADMM COCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001071700251 762073541 /nfs/dbraw/zinc/07/35/41/762073541.db2.gz PULUKFGATZSVHE-NEPJUHHUSA-N -1 1 321.377 0.791 20 0 DCADMM CCCOCC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC001071755780 762113848 /nfs/dbraw/zinc/11/38/48/762113848.db2.gz OKOIXLMAYARUPR-RYUDHWBXSA-N -1 1 321.377 0.791 20 0 DCADMM Cc1occc1C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044916793 752930681 /nfs/dbraw/zinc/93/06/81/752930681.db2.gz IWRCVKNLSCCAQZ-JTQLQIEISA-N -1 1 305.338 0.806 20 0 DCADMM CC(C)(C)C(=O)C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044962828 752962732 /nfs/dbraw/zinc/96/27/32/752962732.db2.gz LPSIHIMHJOPCJD-VIFPVBQESA-N -1 1 309.370 0.206 20 0 DCADMM Cc1ccc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)nn1 ZINC001045035674 753015351 /nfs/dbraw/zinc/01/53/51/753015351.db2.gz STOMFYLFGDCGOC-JTQLQIEISA-N -1 1 317.353 0.003 20 0 DCADMM O=C(N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2)C1CCC1 ZINC001078524516 753291062 /nfs/dbraw/zinc/29/10/62/753291062.db2.gz STNATPUSEKDPCK-MNOVXSKESA-N -1 1 305.382 0.827 20 0 DCADMM O=C(N[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2)c1ccn[nH]1 ZINC001078566589 753297766 /nfs/dbraw/zinc/29/77/66/753297766.db2.gz QHGFBMHLARXZGV-NXEZZACHSA-N -1 1 317.353 0.064 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cnc2nccn2c1 ZINC001168692500 753434747 /nfs/dbraw/zinc/43/47/47/753434747.db2.gz CWWDWEONXXYUJR-GFCCVEGCSA-N -1 1 320.316 0.762 20 0 DCADMM Cn1ccnc1CN1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001046261901 753598080 /nfs/dbraw/zinc/59/80/80/753598080.db2.gz HPUMDYPKLWNIIJ-MRXNPFEDSA-N -1 1 315.377 0.915 20 0 DCADMM CCOCC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071952241 762251394 /nfs/dbraw/zinc/25/13/94/762251394.db2.gz JTLZVAGDVMMCQV-QWRGUYRKSA-N -1 1 307.350 0.400 20 0 DCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2)c1ccc[nH]1 ZINC001047024865 754067421 /nfs/dbraw/zinc/06/74/21/754067421.db2.gz STFODZUVNSRMTE-DCAQKATOSA-N -1 1 316.365 0.621 20 0 DCADMM CC(C)C[C@@H](C)CC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001113527182 762358093 /nfs/dbraw/zinc/35/80/93/762358093.db2.gz XGNWSEZKHOUWCW-CYBMUJFWSA-N -1 1 323.441 0.825 20 0 DCADMM CC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1cc(=O)n2[n-]ccc2n1 ZINC001049258299 755208376 /nfs/dbraw/zinc/20/83/76/755208376.db2.gz IHQOEEWBQHMKQO-ZIAGYGMSSA-N -1 1 315.377 0.608 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1cc(F)ncn1 ZINC001113574754 762401419 /nfs/dbraw/zinc/40/14/19/762401419.db2.gz FBWAXTWTRGYUPT-SECBINFHSA-N -1 1 305.313 0.971 20 0 DCADMM CCC(=O)N[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1C ZINC001079326921 755778896 /nfs/dbraw/zinc/77/88/96/755778896.db2.gz BLHHTYZVMQUDKZ-ZYHUDNBSSA-N -1 1 303.366 0.369 20 0 DCADMM Cc1cc(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)c(C)o1 ZINC001054374100 756459386 /nfs/dbraw/zinc/45/93/86/756459386.db2.gz ADRFQPMHVGQGJL-PRHODGIISA-N -1 1 319.365 0.970 20 0 DCADMM C[C@H]1CN(C(=O)c2cncs2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054464779 756496397 /nfs/dbraw/zinc/49/63/97/756496397.db2.gz HCFDYCSZXZFHLB-JGVFFNPUSA-N -1 1 308.367 0.217 20 0 DCADMM Cc1cncc(C(=O)N2C[C@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1 ZINC001054518124 756524951 /nfs/dbraw/zinc/52/49/51/756524951.db2.gz RURGSFIIKOJWSP-CMPLNLGQSA-N -1 1 316.365 0.464 20 0 DCADMM Cc1cncc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H](C)C2)c1 ZINC001054518128 756525239 /nfs/dbraw/zinc/52/52/39/756525239.db2.gz RURGSFIIKOJWSP-JQWIXIFHSA-N -1 1 316.365 0.464 20 0 DCADMM Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](NCc3ccn(C)n3)C2)c1[O-] ZINC001054566773 756544148 /nfs/dbraw/zinc/54/41/48/756544148.db2.gz BRJAPTFGIZXWBJ-JOYOIKCWSA-N -1 1 318.381 0.408 20 0 DCADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NCc1ncccn1 ZINC001054589033 756554728 /nfs/dbraw/zinc/55/47/28/756554728.db2.gz MOVZQROIDHSGMW-NWDGAFQWSA-N -1 1 313.361 0.828 20 0 DCADMM Cc1cc(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)co1 ZINC001054599675 756562496 /nfs/dbraw/zinc/56/24/96/756562496.db2.gz ONWQKHGZCYIXGE-LDYMZIIASA-N -1 1 305.338 0.662 20 0 DCADMM Cc1cnccc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001054632607 756585895 /nfs/dbraw/zinc/58/58/95/756585895.db2.gz HDDVCVLHVLTYFU-JQWIXIFHSA-N -1 1 316.365 0.464 20 0 DCADMM CCOCC(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082022453 756893798 /nfs/dbraw/zinc/89/37/98/756893798.db2.gz CPLWWJIBGKMDKF-LBPRGKRZSA-N -1 1 321.377 0.935 20 0 DCADMM CC(C)=CC(=O)NCCN(CCO)C(=O)c1ncccc1[O-] ZINC001057407761 757728129 /nfs/dbraw/zinc/72/81/29/757728129.db2.gz HBSFUMQRUPATPN-UHFFFAOYSA-N -1 1 307.350 0.304 20 0 DCADMM CNC(=O)c1cccc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)n1 ZINC001170219322 762570730 /nfs/dbraw/zinc/57/07/30/762570730.db2.gz ZPNUFSVKUHHLBA-UHFFFAOYSA-N -1 1 301.266 0.214 20 0 DCADMM C/C=C(/C)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001084266215 757765437 /nfs/dbraw/zinc/76/54/37/757765437.db2.gz PCDLFTMHZOLXKU-QJJZASRKSA-N -1 1 305.382 0.107 20 0 DCADMM CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001084299884 757794894 /nfs/dbraw/zinc/79/48/94/757794894.db2.gz KPQRVTJRUSBRDM-GRYCIOLGSA-N -1 1 318.377 0.197 20 0 DCADMM Cc1nc(S(C)(=O)=O)ncc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170230340 762581798 /nfs/dbraw/zinc/58/17/98/762581798.db2.gz PAMZNSXICLKLEG-UHFFFAOYSA-N -1 1 321.322 0.304 20 0 DCADMM C[C@H](C(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2)C1CC1 ZINC001072588471 762591525 /nfs/dbraw/zinc/59/15/25/762591525.db2.gz CKJJFUSAPRXXLG-NSHDSACASA-N -1 1 319.409 0.189 20 0 DCADMM C[C@@H]1CCCC[C@H]1OCC(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000822409725 758195379 /nfs/dbraw/zinc/19/53/79/758195379.db2.gz HNTPGSYKYWPFJC-IJLUTSLNSA-N -1 1 309.370 0.695 20 0 DCADMM COC1CC(C(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(=O)[n-]2)C1 ZINC001085237111 758776269 /nfs/dbraw/zinc/77/62/69/758776269.db2.gz IRGDFLKRVGAMAG-KIDURHIOSA-N -1 1 323.397 0.452 20 0 DCADMM C[C@@H](C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC001051677292 758853858 /nfs/dbraw/zinc/85/38/58/758853858.db2.gz JASCYYWWUJQHKK-PWSUYJOCSA-N -1 1 323.397 0.264 20 0 DCADMM O=C([C@@H]1OCCc2ccccc21)N1CCOC[C@H]1c1nn[n-]n1 ZINC000827967925 758903003 /nfs/dbraw/zinc/90/30/03/758903003.db2.gz QFSQRDNCBIYCLO-QWHCGFSZSA-N -1 1 315.333 0.414 20 0 DCADMM CS(=O)(=O)CC1(NC(=O)c2c([O-])cccc2Cl)COC1 ZINC000828136811 758933308 /nfs/dbraw/zinc/93/33/08/758933308.db2.gz HDWKQZKOJJUMPC-UHFFFAOYSA-N -1 1 319.766 0.589 20 0 DCADMM CNC(=O)[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001085561714 759043247 /nfs/dbraw/zinc/04/32/47/759043247.db2.gz SVXIAGBMMKPUPI-GHMZBOCLSA-N -1 1 306.366 0.068 20 0 DCADMM CN(C)C(=O)CN1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001085561834 759043988 /nfs/dbraw/zinc/04/39/88/759043988.db2.gz WEWUXSWQBLPKAE-LLVKDONJSA-N -1 1 306.366 0.022 20 0 DCADMM CCOCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001052420117 759409050 /nfs/dbraw/zinc/40/90/50/759409050.db2.gz CEUFNHFZCJGPID-NWDGAFQWSA-N -1 1 321.377 0.648 20 0 DCADMM Cc1ncc(CO)c(C(=O)N2CCC[C@@H](n3cncn3)C2)c1[O-] ZINC001147838743 767857774 /nfs/dbraw/zinc/85/77/74/767857774.db2.gz YVANZPPAWDNZCS-GFCCVEGCSA-N -1 1 317.349 0.657 20 0 DCADMM Cc1ccc([C@@H](C)C(=O)NCCNCc2n[nH]c(=O)[n-]2)cc1 ZINC001148279254 767959316 /nfs/dbraw/zinc/95/93/16/767959316.db2.gz JVLJYEAKOYILLK-LLVKDONJSA-N -1 1 303.366 0.828 20 0 DCADMM C=CC(=O)NCCNC(=O)c1ccc(-n2[n-]c(C)cc2=O)cc1 ZINC001148337231 767964501 /nfs/dbraw/zinc/96/45/01/767964501.db2.gz XCHQRJIZRHHUCE-UHFFFAOYSA-N -1 1 314.345 0.831 20 0 DCADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)/C=C/C2CC2)C3)nc1=O ZINC001109121804 761259157 /nfs/dbraw/zinc/25/91/57/761259157.db2.gz KRKGDZPWEVSJIJ-JHGIUGQTSA-N -1 1 317.393 0.296 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001109603399 761474556 /nfs/dbraw/zinc/47/45/56/761474556.db2.gz RYHBNIKBYBXOBG-RCWTZXSCSA-N -1 1 311.361 0.078 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H](CO)CC(F)(F)F ZINC001123783181 768056612 /nfs/dbraw/zinc/05/66/12/768056612.db2.gz PTJSGISHFBMGPH-RXMQYKEDSA-N -1 1 311.285 0.822 20 0 DCADMM CCCC[C@H](CC)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001112637789 761746438 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CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C[S@@](C)=O)o1 ZINC000343941848 415792458 /nfs/dbraw/zinc/79/24/58/415792458.db2.gz WTOQHJUBMIQTCS-WPCRTTGESA-N -1 1 323.392 0.502 20 0 DCADMM CC[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCCO1 ZINC000343977316 415807986 /nfs/dbraw/zinc/80/79/86/415807986.db2.gz QNMKDRSGFZRLDF-LLVKDONJSA-N -1 1 307.350 0.545 20 0 DCADMM COC(=O)CCS(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000290572787 415820755 /nfs/dbraw/zinc/82/07/55/415820755.db2.gz ULMAKPXYGGLXER-UHFFFAOYSA-N -1 1 315.273 0.750 20 0 DCADMM CC(C)C[C@@H](CCO)CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000344039888 415825821 /nfs/dbraw/zinc/82/58/21/415825821.db2.gz SPMDDXZPMNEQDL-GFCCVEGCSA-N -1 1 323.393 0.678 20 0 DCADMM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000126690458 415879752 /nfs/dbraw/zinc/87/97/52/415879752.db2.gz GZKIZFLCYDUATO-JTQLQIEISA-N -1 1 304.318 0.864 20 0 DCADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@@H](O)C1 ZINC000296154502 415910079 /nfs/dbraw/zinc/91/00/79/415910079.db2.gz KTACCKKHTYAULR-VIFPVBQESA-N 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/nfs/dbraw/zinc/52/72/08/606527208.db2.gz HWCWGDNVBJPGRI-QMMMGPOBSA-N -1 1 320.378 0.669 20 0 DCADMM C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820253313 606527210 /nfs/dbraw/zinc/52/72/10/606527210.db2.gz HWCWGDNVBJPGRI-QMMMGPOBSA-N -1 1 320.378 0.669 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821655187 606527873 /nfs/dbraw/zinc/52/78/73/606527873.db2.gz GRQZOVKLGQIXMH-SSDOTTSWSA-N -1 1 307.335 0.563 20 0 DCADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821655187 606527874 /nfs/dbraw/zinc/52/78/74/606527874.db2.gz GRQZOVKLGQIXMH-SSDOTTSWSA-N -1 1 307.335 0.563 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1COc2ccccc2O1 ZINC000823289069 606532966 /nfs/dbraw/zinc/53/29/66/606532966.db2.gz AEQIYDIRXMHAAW-JTQLQIEISA-N -1 1 313.277 0.368 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1COc2ccccc2O1 ZINC000823289069 606532967 /nfs/dbraw/zinc/53/29/67/606532967.db2.gz AEQIYDIRXMHAAW-JTQLQIEISA-N -1 1 313.277 0.368 20 0 DCADMM O=C(Cc1cccc(-c2nn[nH]n2)c1)[N-]O[C@H]1CCCCO1 ZINC000823103576 606542834 /nfs/dbraw/zinc/54/28/34/606542834.db2.gz ISSLQTGLLIHDIM-ZDUSSCGKSA-N -1 1 303.322 0.984 20 0 DCADMM CCNC(=O)CN(CC)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821286796 606592065 /nfs/dbraw/zinc/59/20/65/606592065.db2.gz WSJPNOGLHWRQHX-UHFFFAOYSA-N -1 1 309.761 0.878 20 0 DCADMM CCNC(=O)CN(CC)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821286796 606592064 /nfs/dbraw/zinc/59/20/64/606592064.db2.gz WSJPNOGLHWRQHX-UHFFFAOYSA-N -1 1 309.761 0.878 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(-n2cccc2)nc1 ZINC000822904213 606606775 /nfs/dbraw/zinc/60/67/75/606606775.db2.gz UKFMQRLBSADHRS-UHFFFAOYSA-N -1 1 321.304 0.520 20 0 DCADMM NC(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822880561 606649192 /nfs/dbraw/zinc/64/91/92/606649192.db2.gz RXNDYZDRVGTNDY-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM NC(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822880561 606649193 /nfs/dbraw/zinc/64/91/93/606649193.db2.gz RXNDYZDRVGTNDY-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM Cc1nn(C)c(C)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822486991 606651292 /nfs/dbraw/zinc/65/12/92/606651292.db2.gz WNUOLGFVRBIUIJ-UHFFFAOYSA-N -1 1 313.321 0.969 20 0 DCADMM Cc1nn(C)c(C)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822486991 606651293 /nfs/dbraw/zinc/65/12/93/606651293.db2.gz WNUOLGFVRBIUIJ-UHFFFAOYSA-N -1 1 313.321 0.969 20 0 DCADMM O=C(NC[C@]1(CCO)CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823170714 606819886 /nfs/dbraw/zinc/81/98/86/606819886.db2.gz GZQKUPNKLAPVMQ-ZDUSSCGKSA-N -1 1 323.378 0.447 20 0 DCADMM O=C(NC[C@]1(CCO)CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823170714 606819887 /nfs/dbraw/zinc/81/98/87/606819887.db2.gz GZQKUPNKLAPVMQ-ZDUSSCGKSA-N -1 1 323.378 0.447 20 0 DCADMM CN(CCC(=O)OC(C)(C)C)c1nccnc1-c1nnn[n-]1 ZINC000821599083 606950493 /nfs/dbraw/zinc/95/04/93/606950493.db2.gz FHDFTYUANUFODZ-UHFFFAOYSA-N -1 1 305.342 0.825 20 0 DCADMM CN(CCC(=O)OC(C)(C)C)c1nccnc1-c1nn[n-]n1 ZINC000821599083 606950494 /nfs/dbraw/zinc/95/04/94/606950494.db2.gz FHDFTYUANUFODZ-UHFFFAOYSA-N -1 1 305.342 0.825 20 0 DCADMM CC(=O)N1CC[C@@H](COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000819788115 606952463 /nfs/dbraw/zinc/95/24/63/606952463.db2.gz BIAGRKUYXIFDLM-SECBINFHSA-N -1 1 321.362 0.953 20 0 DCADMM COC(=O)NCCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821664751 607106068 /nfs/dbraw/zinc/10/60/68/607106068.db2.gz HRBJFSVDWNIKRJ-UHFFFAOYSA-N -1 1 311.327 0.398 20 0 DCADMM COC(=O)NCCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821664751 607106070 /nfs/dbraw/zinc/10/60/70/607106070.db2.gz HRBJFSVDWNIKRJ-UHFFFAOYSA-N -1 1 311.327 0.398 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000823379763 607110670 /nfs/dbraw/zinc/11/06/70/607110670.db2.gz HNNNRZYVSUZEBT-LURJTMIESA-N -1 1 319.350 0.273 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000823379763 607110671 /nfs/dbraw/zinc/11/06/71/607110671.db2.gz HNNNRZYVSUZEBT-LURJTMIESA-N -1 1 319.350 0.273 20 0 DCADMM CCN(CCC(F)(F)F)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821207882 607212191 /nfs/dbraw/zinc/21/21/91/607212191.db2.gz WYOVIENBJRYFEW-UHFFFAOYSA-N -1 1 318.263 0.259 20 0 DCADMM C[C@H](CCc1ccco1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820252733 607205888 /nfs/dbraw/zinc/20/58/88/607205888.db2.gz COTQWCOOIXYFBB-SECBINFHSA-N -1 1 316.325 0.189 20 0 DCADMM CCC1CCC(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820971745 607209630 /nfs/dbraw/zinc/20/96/30/607209630.db2.gz FKYWIPKTVMZSMY-UHFFFAOYSA-N -1 1 318.385 0.791 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000823126900 607210417 /nfs/dbraw/zinc/21/04/17/607210417.db2.gz NEZUORMQUYOERM-GHMZBOCLSA-N -1 1 310.321 0.131 20 0 DCADMM CC(C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000819988293 607210920 /nfs/dbraw/zinc/21/09/20/607210920.db2.gz XHCXKERYYTWUKF-UHFFFAOYSA-N -1 1 312.337 0.510 20 0 DCADMM CCCN(CC(F)(F)F)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821094288 607211207 /nfs/dbraw/zinc/21/12/07/607211207.db2.gz FTZPNWYEMLHQDM-UHFFFAOYSA-N -1 1 318.263 0.259 20 0 DCADMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCCC[C@@H]1C ZINC000821154081 607213546 /nfs/dbraw/zinc/21/35/46/607213546.db2.gz IWXDRDUVQHLSRN-WDEREUQCSA-N -1 1 318.385 0.885 20 0 DCADMM CC(C)C[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820067817 607220459 /nfs/dbraw/zinc/22/04/59/607220459.db2.gz LVVWNEVECJROBD-JTQLQIEISA-N -1 1 304.358 0.353 20 0 DCADMM CC(C)CC[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820072298 607224622 /nfs/dbraw/zinc/22/46/22/607224622.db2.gz FDTVGQNIBGQCBV-NSHDSACASA-N -1 1 318.385 0.885 20 0 DCADMM CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821950487 607225060 /nfs/dbraw/zinc/22/50/60/607225060.db2.gz NRDTZJOQRKWPAB-XVKPBYJWSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821950487 607225061 /nfs/dbraw/zinc/22/50/61/607225061.db2.gz NRDTZJOQRKWPAB-XVKPBYJWSA-N -1 1 308.367 0.104 20 0 DCADMM Cc1cccc(OC[C@H](O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826300084 607869157 /nfs/dbraw/zinc/86/91/57/607869157.db2.gz IDKZMZJKCSFPAR-SNVBAGLBSA-N -1 1 301.310 0.207 20 0 DCADMM O=C1CCCCCN1CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826480324 607988094 /nfs/dbraw/zinc/98/80/94/607988094.db2.gz XNKZWPIMUVOSRI-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM O=C1CCCCCN1CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826480324 607988095 /nfs/dbraw/zinc/98/80/95/607988095.db2.gz XNKZWPIMUVOSRI-UHFFFAOYSA-N -1 1 316.369 0.861 20 0 DCADMM NC(=O)C1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCC1 ZINC000826389285 607998590 /nfs/dbraw/zinc/99/85/90/607998590.db2.gz UQXIIFJKUNROFE-UHFFFAOYSA-N -1 1 302.294 0.166 20 0 DCADMM COc1cc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)ccn1 ZINC000826179869 608095170 /nfs/dbraw/zinc/09/51/70/608095170.db2.gz IWXHCKTYADDSGP-UHFFFAOYSA-N -1 1 313.321 0.492 20 0 DCADMM Cn1nnnc1Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000826367120 608171522 /nfs/dbraw/zinc/17/15/22/608171522.db2.gz MPSZTHXABKPWEB-UHFFFAOYSA-N -1 1 301.748 0.651 20 0 DCADMM Cn1nnnc1Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000826367120 608171524 /nfs/dbraw/zinc/17/15/24/608171524.db2.gz MPSZTHXABKPWEB-UHFFFAOYSA-N -1 1 301.748 0.651 20 0 DCADMM O=C(N[C@@H](CO)CC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426086 608183314 /nfs/dbraw/zinc/18/33/14/608183314.db2.gz FCQNDZDZFQEVRG-SSDOTTSWSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(N[C@@H](CO)CC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426086 608183315 /nfs/dbraw/zinc/18/33/15/608183315.db2.gz FCQNDZDZFQEVRG-SSDOTTSWSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(C1CC1)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826398418 608395208 /nfs/dbraw/zinc/39/52/08/608395208.db2.gz WKEBXOWAKDSSBA-UHFFFAOYSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826398418 608395210 /nfs/dbraw/zinc/39/52/10/608395210.db2.gz WKEBXOWAKDSSBA-UHFFFAOYSA-N -1 1 314.353 0.470 20 0 DCADMM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826221974 608423392 /nfs/dbraw/zinc/42/33/92/608423392.db2.gz CQOHVQBVSBWZEP-BDAKNGLRSA-N -1 1 323.382 0.424 20 0 DCADMM CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826221974 608423394 /nfs/dbraw/zinc/42/33/94/608423394.db2.gz CQOHVQBVSBWZEP-BDAKNGLRSA-N -1 1 323.382 0.424 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1=O ZINC000824899805 608425777 /nfs/dbraw/zinc/42/57/77/608425777.db2.gz OQUVZHNBLJVBPR-WEDXCCLWSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC000824899805 608425779 /nfs/dbraw/zinc/42/57/79/608425779.db2.gz OQUVZHNBLJVBPR-WEDXCCLWSA-N -1 1 300.326 0.078 20 0 DCADMM CN(CC(F)F)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825901444 608428897 /nfs/dbraw/zinc/42/88/97/608428897.db2.gz FSDJUXHUNYIPFM-UHFFFAOYSA-N -1 1 324.339 0.822 20 0 DCADMM O=c1[nH]c2ccccc2n1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826501470 608429522 /nfs/dbraw/zinc/42/95/22/608429522.db2.gz RRXZHHIWXRELOX-UHFFFAOYSA-N -1 1 323.320 0.824 20 0 DCADMM O=c1[nH]c2ccccc2n1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826501470 608429524 /nfs/dbraw/zinc/42/95/24/608429524.db2.gz RRXZHHIWXRELOX-UHFFFAOYSA-N -1 1 323.320 0.824 20 0 DCADMM CO[C@@H]1CC[C@H]2OCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1 ZINC000826145262 608437503 /nfs/dbraw/zinc/43/75/03/608437503.db2.gz CNGGLULEZXXSPJ-YUSALJHKSA-N -1 1 317.353 0.429 20 0 DCADMM CO[C@@H]1CC[C@H]2OCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1 ZINC000826145262 608437505 /nfs/dbraw/zinc/43/75/05/608437505.db2.gz CNGGLULEZXXSPJ-YUSALJHKSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@@H]1CC(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824893969 608472035 /nfs/dbraw/zinc/47/20/35/608472035.db2.gz WEKYRJFSXUZAEH-HTQZYQBOSA-N -1 1 320.357 0.678 20 0 DCADMM C[C@@H]1CC(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824893969 608472036 /nfs/dbraw/zinc/47/20/36/608472036.db2.gz WEKYRJFSXUZAEH-HTQZYQBOSA-N -1 1 320.357 0.678 20 0 DCADMM OCC[C@@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826508774 608584923 /nfs/dbraw/zinc/58/49/23/608584923.db2.gz BDZKIQJWHFHZRI-ZCFIWIBFSA-N -1 1 316.774 0.564 20 0 DCADMM OCC[C@@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826508774 608584924 /nfs/dbraw/zinc/58/49/24/608584924.db2.gz BDZKIQJWHFHZRI-ZCFIWIBFSA-N -1 1 316.774 0.564 20 0 DCADMM Cc1ccncc1[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826314838 608591854 /nfs/dbraw/zinc/59/18/54/608591854.db2.gz OPVNVHLQNLYPHU-SECBINFHSA-N -1 1 313.325 0.039 20 0 DCADMM c1cn(CCc2nnnn2-c2ccccc2)c(-c2nnn[n-]2)n1 ZINC000826519897 608893644 /nfs/dbraw/zinc/89/36/44/608893644.db2.gz STQGJPIROFVBCP-UHFFFAOYSA-N -1 1 308.309 0.282 20 0 DCADMM c1cn(CCc2nnnn2-c2ccccc2)c(-c2nn[n-]n2)n1 ZINC000826519897 608893645 /nfs/dbraw/zinc/89/36/45/608893645.db2.gz STQGJPIROFVBCP-UHFFFAOYSA-N -1 1 308.309 0.282 20 0 DCADMM COCc1noc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000826165728 609239250 /nfs/dbraw/zinc/23/92/50/609239250.db2.gz HZRPQSLFLHGAAX-UHFFFAOYSA-N -1 1 317.265 0.148 20 0 DCADMM COCc1noc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000826165728 609239251 /nfs/dbraw/zinc/23/92/51/609239251.db2.gz HZRPQSLFLHGAAX-UHFFFAOYSA-N -1 1 317.265 0.148 20 0 DCADMM Cn1ncc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1N ZINC000826365751 609293761 /nfs/dbraw/zinc/29/37/61/609293761.db2.gz BOGFSASDIRWICS-UHFFFAOYSA-N -1 1 300.282 0.140 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@](C)(O)C2)c1-c1nnn[n-]1 ZINC000826344853 609468512 /nfs/dbraw/zinc/46/85/12/609468512.db2.gz URZMLFABUHXJAI-ZDUSSCGKSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@](C)(O)C2)c1-c1nn[n-]n1 ZINC000826344853 609468513 /nfs/dbraw/zinc/46/85/13/609468513.db2.gz URZMLFABUHXJAI-ZDUSSCGKSA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N2CCCC[C@@H]2[C@H](C)O)c1-c1nnn[n-]1 ZINC000826344336 609470712 /nfs/dbraw/zinc/47/07/12/609470712.db2.gz FADGXMQRXSAVSI-GZMMTYOYSA-N -1 1 320.353 0.468 20 0 DCADMM Cc1onc(CC(=O)N2CCCC[C@@H]2[C@H](C)O)c1-c1nn[n-]n1 ZINC000826344336 609470715 /nfs/dbraw/zinc/47/07/15/609470715.db2.gz FADGXMQRXSAVSI-GZMMTYOYSA-N -1 1 320.353 0.468 20 0 DCADMM OCCOCCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826510351 609581721 /nfs/dbraw/zinc/58/17/21/609581721.db2.gz MBISQBFGTSOXII-UHFFFAOYSA-N -1 1 315.337 0.621 20 0 DCADMM OCCOCCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000826510351 609581723 /nfs/dbraw/zinc/58/17/23/609581723.db2.gz MBISQBFGTSOXII-UHFFFAOYSA-N -1 1 315.337 0.621 20 0 DCADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)c1cnon1 ZINC000978241319 660508984 /nfs/dbraw/zinc/50/89/84/660508984.db2.gz JUIUTAXLZSMXBC-SECBINFHSA-N -1 1 317.305 0.157 20 0 DCADMM O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO2)C1)c1ncccc1[O-] ZINC000978743807 660598571 /nfs/dbraw/zinc/59/85/71/660598571.db2.gz SCTCZHDHWSQFDT-LOWVWBTDSA-N -1 1 319.361 0.591 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2ccoc2)CCO1 ZINC000979198018 660683997 /nfs/dbraw/zinc/68/39/97/660683997.db2.gz TWFHBKCIJHMWLC-MWLCHTKSSA-N -1 1 321.337 0.123 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)C2CC=CC2)CCO1 ZINC000979242985 660696836 /nfs/dbraw/zinc/69/68/36/660696836.db2.gz XXZIAMSACFLTCE-CMPLNLGQSA-N -1 1 321.381 0.182 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)CC2(C)CC2)CCO1 ZINC000979387166 660735656 /nfs/dbraw/zinc/73/56/56/660735656.db2.gz YFQJGNATGODWAK-GHMZBOCLSA-N -1 1 323.397 0.406 20 0 DCADMM C[C@@H](C(=O)N(C)C)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027844598 660829494 /nfs/dbraw/zinc/82/94/94/660829494.db2.gz VVTMCDYQJFSJKH-NWDGAFQWSA-N -1 1 320.393 0.458 20 0 DCADMM CSCC[C@H](NC(=O)CCOCC(F)F)c1nn[n-]n1 ZINC000912862584 664238413 /nfs/dbraw/zinc/23/84/13/664238413.db2.gz RDHKDHPMZPDETC-ZETCQYMHSA-N -1 1 309.342 0.782 20 0 DCADMM O=C(c1ncccc1[O-])N1CCCN([C@H]2CCCNC2=O)CC1 ZINC000981027507 661067146 /nfs/dbraw/zinc/06/71/46/661067146.db2.gz YZCTVTQSCIUIFD-LBPRGKRZSA-N -1 1 318.377 0.214 20 0 DCADMM O=C(c1ncccc1[O-])N1CCCN(Cc2cnns2)CC1 ZINC000981026670 661067431 /nfs/dbraw/zinc/06/74/31/661067431.db2.gz ITPOFIQYCAWZNO-UHFFFAOYSA-N -1 1 319.390 0.987 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@@H]2CC23CCC3)nc1=O ZINC001028169309 661256690 /nfs/dbraw/zinc/25/66/90/661256690.db2.gz WISLFSLKFIDOHI-RYUDHWBXSA-N -1 1 319.409 0.379 20 0 DCADMM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1cccc2cn[nH]c21 ZINC000180200488 665425888 /nfs/dbraw/zinc/42/58/88/665425888.db2.gz WDIOCFNWPCPLLY-JTQLQIEISA-N -1 1 309.347 0.802 20 0 DCADMM O=C1C[C@H](CC[N-]S(=O)(=O)c2cccc(F)c2F)CN1 ZINC000921652072 665446094 /nfs/dbraw/zinc/44/60/94/665446094.db2.gz OYDRLXMKDJDQIE-QMMMGPOBSA-N -1 1 304.318 0.769 20 0 DCADMM O=C(Cc1ccsc1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998442563 665455957 /nfs/dbraw/zinc/45/59/57/665455957.db2.gz YODHPKNAEVXUNX-LLVKDONJSA-N -1 1 321.406 0.895 20 0 DCADMM O=C(Cc1c[nH]cn1)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000938989891 665459970 /nfs/dbraw/zinc/45/99/70/665459970.db2.gz FOLAMBLOXJLUTB-JTQLQIEISA-N -1 1 315.333 0.084 20 0 DCADMM COCCOCCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000064259237 657646444 /nfs/dbraw/zinc/64/64/44/657646444.db2.gz HOTFYFPPLWSHNV-UHFFFAOYSA-N -1 1 309.318 0.539 20 0 DCADMM Cc1ncc(CN2CC[C@@H]2CNC(=O)c2ncccc2[O-])cn1 ZINC001038195619 657828988 /nfs/dbraw/zinc/82/89/88/657828988.db2.gz WVGRWAKRVDDSGB-CYBMUJFWSA-N -1 1 313.361 0.890 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN([C@@H](C)C(=O)N(C)C)C1 ZINC000969543379 657970199 /nfs/dbraw/zinc/97/01/99/657970199.db2.gz MXVVBWWYIBXTJX-MNOVXSKESA-N -1 1 320.393 0.314 20 0 DCADMM O=C(c1ncccc1[O-])N1C[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC000971899914 657996649 /nfs/dbraw/zinc/99/66/49/657996649.db2.gz MRALGOLWTLQVGN-RKDXNWHRSA-N -1 1 311.288 0.725 20 0 DCADMM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000866853984 658084598 /nfs/dbraw/zinc/08/45/98/658084598.db2.gz CZRMNOJPFOCFTM-RITPCOANSA-N -1 1 312.189 0.467 20 0 DCADMM COCc1nc(N2CCC[C@H](N3CCNC3=O)C2)cc(=O)[n-]1 ZINC000892002642 658096101 /nfs/dbraw/zinc/09/61/01/658096101.db2.gz VJUBQUJSKAVHPI-JTQLQIEISA-N -1 1 307.354 0.323 20 0 DCADMM Cc1ncccc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000969757389 658125446 /nfs/dbraw/zinc/12/54/46/658125446.db2.gz YMSIQFNVSLCOCE-SNVBAGLBSA-N -1 1 302.338 0.218 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](N(C)Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000971095671 658269125 /nfs/dbraw/zinc/26/91/25/658269125.db2.gz MZTCJKYXLGAYMF-CYBMUJFWSA-N -1 1 317.393 0.711 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC000972096338 658293509 /nfs/dbraw/zinc/29/35/09/658293509.db2.gz ANNKWXKLBGSUBG-LLVKDONJSA-N -1 1 307.398 0.331 20 0 DCADMM C/C(=C\C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1)C1CC1 ZINC000971144380 658333558 /nfs/dbraw/zinc/33/35/58/658333558.db2.gz HWOGJZVVYSVDSJ-RUNBWSAHSA-N -1 1 319.409 0.497 20 0 DCADMM CCn1nc(C)cc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970059312 658406826 /nfs/dbraw/zinc/40/68/26/658406826.db2.gz NVDUEDSCTFNNLP-SNVBAGLBSA-N -1 1 319.369 0.039 20 0 DCADMM CC1CC(C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)C1 ZINC000971319771 658495404 /nfs/dbraw/zinc/49/54/04/658495404.db2.gz UFLHNTGISMLHEM-MCIGGMRASA-N -1 1 307.398 0.187 20 0 DCADMM CCC(=O)N[C@H]1C[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000972866291 658502437 /nfs/dbraw/zinc/50/24/37/658502437.db2.gz OCISYRTZTWAJNO-MGCOHNPYSA-N -1 1 304.350 0.847 20 0 DCADMM O=C(N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C1(C(F)F)CC1 ZINC000999152066 665588700 /nfs/dbraw/zinc/58/87/00/665588700.db2.gz FOIGNRKBULVMRG-MRVPVSSYSA-N -1 1 315.324 0.636 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1nc(=O)n(C)[n-]1 ZINC001024603046 658749363 /nfs/dbraw/zinc/74/93/63/658749363.db2.gz ZDRDAIUYPPUJNK-GRYCIOLGSA-N -1 1 307.398 0.235 20 0 DCADMM O=C([C@H]1CCCO1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024859424 658803237 /nfs/dbraw/zinc/80/32/37/658803237.db2.gz HWAJQQSZZWJXKL-GHMZBOCLSA-N -1 1 309.370 0.160 20 0 DCADMM Cc1cocc1C(=O)N[C@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000970282118 658809706 /nfs/dbraw/zinc/80/97/06/658809706.db2.gz PQBZPRKNSVMZNM-SNVBAGLBSA-N -1 1 319.365 0.260 20 0 DCADMM O=C([C@@H]1CCCOC1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024897701 658821946 /nfs/dbraw/zinc/82/19/46/658821946.db2.gz BMGILXXJVCRXTJ-VXGBXAGGSA-N -1 1 323.397 0.408 20 0 DCADMM O=C(C[C@@H]1CCOC1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024908117 658827218 /nfs/dbraw/zinc/82/72/18/658827218.db2.gz CEGSLRKROWCRJJ-NWDGAFQWSA-N -1 1 323.397 0.408 20 0 DCADMM COCc1nc(N2CCN(c3ccnc(C)n3)CC2)cc(=O)[n-]1 ZINC000893172456 658980827 /nfs/dbraw/zinc/98/08/27/658980827.db2.gz GLKUZSABIXYKCC-UHFFFAOYSA-N -1 1 316.365 0.754 20 0 DCADMM O=C(N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccn[nH]1 ZINC000973906414 659031993 /nfs/dbraw/zinc/03/19/93/659031993.db2.gz JZCSQWZYXVJMGQ-DTORHVGOSA-N -1 1 301.306 0.201 20 0 DCADMM O=C(Cc1ccon1)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000939789264 665643568 /nfs/dbraw/zinc/64/35/68/665643568.db2.gz MQDZQGDOJTVZIL-LLVKDONJSA-N -1 1 316.317 0.349 20 0 DCADMM O=C(N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccncn1 ZINC000974057270 659173088 /nfs/dbraw/zinc/17/30/88/659173088.db2.gz PAFBRFJIPKELAP-AOOOYVTPSA-N -1 1 313.317 0.268 20 0 DCADMM O=C(N[C@H]1C[C@@H](NC(=O)[C@]2(F)CCOC2)C1)c1ncccc1[O-] ZINC000974059084 659174882 /nfs/dbraw/zinc/17/48/82/659174882.db2.gz YSNHFTPTRDDEDR-WMFXKJRFSA-N -1 1 323.324 0.293 20 0 DCADMM O=C(N[C@H]1C[C@H](NC(=O)[C@H]2CC2(F)F)C1)c1ncccc1[O-] ZINC000973199566 659176032 /nfs/dbraw/zinc/17/60/32/659176032.db2.gz CRCRPHFXZFYBJS-IWSPIJDZSA-N -1 1 311.288 0.819 20 0 DCADMM C[C@@H](C(N)=O)N(C)[C@H]1CCCN(C(=O)c2ccccc2O)C1 ZINC001027304742 659185415 /nfs/dbraw/zinc/18/54/15/659185415.db2.gz AEMIFDSDNBDYOF-RYUDHWBXSA-N -1 1 305.378 0.802 20 0 DCADMM O=C(N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C1(F)CCCC1 ZINC000999558111 665656180 /nfs/dbraw/zinc/65/61/80/665656180.db2.gz SVAFGGZITCVNBO-SNVBAGLBSA-N -1 1 311.361 0.873 20 0 DCADMM CC[C@H](OC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC000976407654 659323640 /nfs/dbraw/zinc/32/36/40/659323640.db2.gz ZLCLVHBSLILOCT-JULQROHOSA-N -1 1 319.361 0.399 20 0 DCADMM O=C1NCCC[C@@H]1NCc1ncc(Br)cc1[O-] ZINC000892755522 659434904 /nfs/dbraw/zinc/43/49/04/659434904.db2.gz LJWBSZVMJFNKRW-QMMMGPOBSA-N -1 1 300.156 0.918 20 0 DCADMM Cc1ccc(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)o1 ZINC001006668061 659514254 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ZINC001571823054 1159877073 /nfs/dbraw/zinc/87/70/73/1159877073.db2.gz WQHGXTYNBYNBTL-NSHDSACASA-N -1 1 309.366 0.791 20 0 DCADMM O=C(NCc1nn[n-]n1)C(=O)c1ccc(Br)s1 ZINC001565583972 1159885347 /nfs/dbraw/zinc/88/53/47/1159885347.db2.gz GASJEIIBAKBFDS-UHFFFAOYSA-N -1 1 316.140 0.523 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCCNC(=O)C(C)C ZINC001566419263 1159974869 /nfs/dbraw/zinc/97/48/69/1159974869.db2.gz NNCVXAPIMLXFJF-UHFFFAOYSA-N -1 1 312.395 0.671 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NCC(=O)N2CCOCC2)c1 ZINC001566996680 1160203759 /nfs/dbraw/zinc/20/37/59/1160203759.db2.gz MEYFQPIHSJHWBV-UHFFFAOYSA-N -1 1 306.318 0.102 20 0 DCADMM CC/C(C)=C/C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1 ZINC001567669474 1160451837 /nfs/dbraw/zinc/45/18/37/1160451837.db2.gz KPIPMWBZTQGLFJ-UUSKSKHGSA-N -1 1 319.409 0.640 20 0 DCADMM CCC(CC)(NC(=O)c1ccnc2c1ncn2C)c1nn[n-]n1 ZINC001568664994 1160728734 /nfs/dbraw/zinc/72/87/34/1160728734.db2.gz YVKGNVAFTRHKCD-UHFFFAOYSA-N -1 1 314.353 0.927 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cccc2nccn21 ZINC001569068549 1160933472 /nfs/dbraw/zinc/93/34/72/1160933472.db2.gz WDSYUUGKFAEYEB-VIFPVBQESA-N -1 1 315.337 0.066 20 0 DCADMM CC/C=C(/C)C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC001569872894 1161289056 /nfs/dbraw/zinc/28/90/56/1161289056.db2.gz QMHZWGCPEPTRFA-FACJSSNHSA-N -1 1 305.382 0.757 20 0 DCADMM CC(=O)NC1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])CCCCC1 ZINC001573427537 1163433678 /nfs/dbraw/zinc/43/36/78/1163433678.db2.gz ZQWHDXPBSXSUHV-GFCCVEGCSA-N -1 1 322.365 0.361 20 0 DCADMM CC(C)C[C@@H](NC(=O)c1[nH]ncc1F)c1nc(C(=O)[O-])n[nH]1 ZINC001573506513 1163454263 /nfs/dbraw/zinc/45/42/63/1163454263.db2.gz RFDJXXMKMPZAJH-SSDOTTSWSA-N -1 1 310.289 0.882 20 0 DCADMM CC(C)c1nc(CNC(=O)NCc2cc(C(=O)[O-])no2)n[nH]1 ZINC001573532880 1163459854 /nfs/dbraw/zinc/45/98/54/1163459854.db2.gz FTEYNWXQCPJMAV-UHFFFAOYSA-N -1 1 308.298 0.614 20 0 DCADMM C[C@H](C(=O)N[C@@H](C)c1nc(C(=O)[O-])n[n-]1)[NH+]1CCSCC1 ZINC001573554243 1163494169 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0.065 20 0 DCADMM CN(C[C@@H](O)c1cccnc1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC001573870052 1163573938 /nfs/dbraw/zinc/57/39/38/1163573938.db2.gz KBPFUUKFFYFCSG-ZIAGYGMSSA-N -1 1 321.377 0.370 20 0 DCADMM CNC(=O)[C@H](Cc1ccccc1)NCc1cn(C)nc1C(=O)[O-] ZINC001573889149 1163578683 /nfs/dbraw/zinc/57/86/83/1163578683.db2.gz CLDQULNUUDQZDJ-ZDUSSCGKSA-N -1 1 316.361 0.565 20 0 DCADMM CC(C)=CC(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573942273 1163594906 /nfs/dbraw/zinc/59/49/06/1163594906.db2.gz LJWQYYHQENBRCA-ONEGZZNKSA-N -1 1 314.353 0.707 20 0 DCADMM CC(C)=CC(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573942273 1163594910 /nfs/dbraw/zinc/59/49/10/1163594910.db2.gz LJWQYYHQENBRCA-ONEGZZNKSA-N -1 1 314.353 0.707 20 0 DCADMM CC(C)=CC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573941254 1163595502 /nfs/dbraw/zinc/59/55/02/1163595502.db2.gz CGFPCQDDHGOZBB-NXEZZACHSA-N -1 1 316.369 0.350 20 0 DCADMM COC(=O)c1ccoc1S(=O)(=O)N[C@H](C)CCC(=O)[O-] ZINC001573941805 1163595608 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/nfs/dbraw/zinc/75/38/52/1163753852.db2.gz SHMZBHNBTULCRZ-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CCC1 ZINC001574792512 1163753859 /nfs/dbraw/zinc/75/38/59/1163753859.db2.gz SHMZBHNBTULCRZ-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1C[C@@H]1C ZINC001574803344 1163756508 /nfs/dbraw/zinc/75/65/08/1163756508.db2.gz LJLIOYXDSPTLSD-AEJSXWLSSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CCC1 ZINC001574810578 1163757942 /nfs/dbraw/zinc/75/79/42/1163757942.db2.gz VSWASFMWWZIWDU-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CCC1 ZINC001574810578 1163757945 /nfs/dbraw/zinc/75/79/45/1163757945.db2.gz VSWASFMWWZIWDU-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574828647 1163762621 /nfs/dbraw/zinc/76/26/21/1163762621.db2.gz ISUAIVJYVGTZHD-MRVPVSSYSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574828647 1163762629 /nfs/dbraw/zinc/76/26/29/1163762629.db2.gz ISUAIVJYVGTZHD-MRVPVSSYSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574833066 1163764238 /nfs/dbraw/zinc/76/42/38/1163764238.db2.gz ZOIXZSNKKADTCD-SECBINFHSA-N -1 1 318.385 0.867 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574833066 1163764244 /nfs/dbraw/zinc/76/42/44/1163764244.db2.gz ZOIXZSNKKADTCD-SECBINFHSA-N -1 1 318.385 0.867 20 0 DCADMM C[C@@H](C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574835408 1163766227 /nfs/dbraw/zinc/76/62/27/1163766227.db2.gz HCCAHIKIRLRVIZ-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574835408 1163766231 /nfs/dbraw/zinc/76/62/31/1163766231.db2.gz HCCAHIKIRLRVIZ-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)[C@@H](C)C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574837000 1163766513 /nfs/dbraw/zinc/76/65/13/1163766513.db2.gz LXQJZZRAIRMDPY-VHSXEESVSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@@H](C)C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574837000 1163766520 /nfs/dbraw/zinc/76/65/20/1163766520.db2.gz LXQJZZRAIRMDPY-VHSXEESVSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574841958 1163768255 /nfs/dbraw/zinc/76/82/55/1163768255.db2.gz SGQMBHVWTZQNKG-BDAKNGLRSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574841958 1163768259 /nfs/dbraw/zinc/76/82/59/1163768259.db2.gz SGQMBHVWTZQNKG-BDAKNGLRSA-N -1 1 322.348 0.567 20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001574845652 1163769779 /nfs/dbraw/zinc/76/97/79/1163769779.db2.gz BKFXFWGBZMDIPE-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001574845652 1163769787 /nfs/dbraw/zinc/76/97/87/1163769787.db2.gz BKFXFWGBZMDIPE-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CNC(=O)C1=CCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574854890 1163771929 /nfs/dbraw/zinc/77/19/29/1163771929.db2.gz YGPAKTJAASKPBC-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](CNC(=O)C1=CCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574854890 1163771932 /nfs/dbraw/zinc/77/19/32/1163771932.db2.gz YGPAKTJAASKPBC-SECBINFHSA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H](C(=O)NCCNC(=O)c1ncccc1[O-])c1cccnc1 ZINC001575058769 1163871964 /nfs/dbraw/zinc/87/19/64/1163871964.db2.gz NJFKTEDBVDWMTD-LLVKDONJSA-N -1 1 314.345 0.832 20 0 DCADMM CC1(C)OC[C@H](Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)O1 ZINC001575752004 1164134454 /nfs/dbraw/zinc/13/44/54/1164134454.db2.gz MEASVNGKSGMIGL-JTQLQIEISA-N -1 1 317.349 0.669 20 0 DCADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001575940126 1164189562 /nfs/dbraw/zinc/18/95/62/1164189562.db2.gz WGINVTUKDPXIEH-SKDRFNHKSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001575940126 1164189566 /nfs/dbraw/zinc/18/95/66/1164189566.db2.gz WGINVTUKDPXIEH-SKDRFNHKSA-N -1 1 314.349 0.883 20 0 DCADMM CCC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001576406849 1164328950 /nfs/dbraw/zinc/32/89/50/1164328950.db2.gz GOAWVZFCYPCNHW-JTQLQIEISA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001576406849 1164328957 /nfs/dbraw/zinc/32/89/57/1164328957.db2.gz GOAWVZFCYPCNHW-JTQLQIEISA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576414696 1164334136 /nfs/dbraw/zinc/33/41/36/1164334136.db2.gz DBUXUMBKAHHBDF-UWVGGRQHSA-N -1 1 316.369 0.138 20 0 DCADMM CCC(=O)N1CC[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576415551 1164335381 /nfs/dbraw/zinc/33/53/81/1164335381.db2.gz WQGQLMGLDRQTMI-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576415551 1164335392 /nfs/dbraw/zinc/33/53/92/1164335392.db2.gz WQGQLMGLDRQTMI-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576415919 1164336084 /nfs/dbraw/zinc/33/60/84/1164336084.db2.gz GEZLZWPDZIUWMM-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576415919 1164336093 /nfs/dbraw/zinc/33/60/93/1164336093.db2.gz GEZLZWPDZIUWMM-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576420257 1164338092 /nfs/dbraw/zinc/33/80/92/1164338092.db2.gz OEVGALZJYQHBFI-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576420257 1164338100 /nfs/dbraw/zinc/33/81/00/1164338100.db2.gz OEVGALZJYQHBFI-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576445063 1164346832 /nfs/dbraw/zinc/34/68/32/1164346832.db2.gz NYEBBVFKQSWNPZ-UWVGGRQHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576445063 1164346841 /nfs/dbraw/zinc/34/68/41/1164346841.db2.gz NYEBBVFKQSWNPZ-UWVGGRQHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001576471391 1164353813 /nfs/dbraw/zinc/35/38/13/1164353813.db2.gz OAEFPFKFCSADAK-UHFFFAOYSA-N -1 1 316.369 0.330 20 0 DCADMM CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001576477939 1164358953 /nfs/dbraw/zinc/35/89/53/1164358953.db2.gz SYCTUWSJPVQPSK-KKZNHRDASA-N -1 1 314.353 0.293 20 0 DCADMM CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001576477939 1164358957 /nfs/dbraw/zinc/35/89/57/1164358957.db2.gz SYCTUWSJPVQPSK-KKZNHRDASA-N -1 1 314.353 0.293 20 0 DCADMM CCC(=O)NC[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001576487051 1164363880 /nfs/dbraw/zinc/36/38/80/1164363880.db2.gz KKBQZDRQIPULDI-VIFPVBQESA-N -1 1 321.410 0.984 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576565885 1164396775 /nfs/dbraw/zinc/39/67/75/1164396775.db2.gz CSRKXMXGTZMGNF-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576565885 1164396778 /nfs/dbraw/zinc/39/67/78/1164396778.db2.gz CSRKXMXGTZMGNF-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H](C)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576580628 1164403927 /nfs/dbraw/zinc/40/39/27/1164403927.db2.gz BGYXTUPBRWHRGV-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](C)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576580628 1164403931 /nfs/dbraw/zinc/40/39/31/1164403931.db2.gz BGYXTUPBRWHRGV-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576603815 1164409668 /nfs/dbraw/zinc/40/96/68/1164409668.db2.gz AKZMAGNMTDBETF-RKDXNWHRSA-N -1 1 304.358 0.041 20 0 DCADMM CC[C@@H](CNC(=O)CC1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576800927 1164468910 /nfs/dbraw/zinc/46/89/10/1164468910.db2.gz CTZIGQCMIRGKTC-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)CC1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576800927 1164468914 /nfs/dbraw/zinc/46/89/14/1164468914.db2.gz CTZIGQCMIRGKTC-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)CCCF)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576818078 1164479989 /nfs/dbraw/zinc/47/99/89/1164479989.db2.gz XIRBHQPXMWNVKQ-VIFPVBQESA-N -1 1 322.348 0.713 20 0 DCADMM CC[C@@H](CNC(=O)CCCF)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576818078 1164479991 /nfs/dbraw/zinc/47/99/91/1164479991.db2.gz XIRBHQPXMWNVKQ-VIFPVBQESA-N -1 1 322.348 0.713 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576926646 1164536918 /nfs/dbraw/zinc/53/69/18/1164536918.db2.gz SOKVMDYICMLIEP-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576926646 1164536926 /nfs/dbraw/zinc/53/69/26/1164536926.db2.gz SOKVMDYICMLIEP-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001576939644 1164545419 /nfs/dbraw/zinc/54/54/19/1164545419.db2.gz GUCGSLYHFMIZSQ-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001576939644 1164545428 /nfs/dbraw/zinc/54/54/28/1164545428.db2.gz GUCGSLYHFMIZSQ-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576951840 1164552314 /nfs/dbraw/zinc/55/23/14/1164552314.db2.gz BXWNOYINTLALOD-DTWKUNHWSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576951840 1164552320 /nfs/dbraw/zinc/55/23/20/1164552320.db2.gz BXWNOYINTLALOD-DTWKUNHWSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576951842 1164552910 /nfs/dbraw/zinc/55/29/10/1164552910.db2.gz BXWNOYINTLALOD-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576951842 1164552916 /nfs/dbraw/zinc/55/29/16/1164552916.db2.gz BXWNOYINTLALOD-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NCCN(CC)c1nccnc1-c1nnn[n-]1 ZINC001576956056 1164555392 /nfs/dbraw/zinc/55/53/92/1164555392.db2.gz DSEKYTHSAWMJPI-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM CC[C@H](F)C(=O)NCCN(CC)c1nccnc1-c1nn[n-]n1 ZINC001576956056 1164555400 /nfs/dbraw/zinc/55/54/00/1164555400.db2.gz DSEKYTHSAWMJPI-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM CC[C@H](F)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576958581 1164557190 /nfs/dbraw/zinc/55/71/90/1164557190.db2.gz ZHNOGGFYILJTSF-JTQLQIEISA-N -1 1 324.385 0.977 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576964513 1164561064 /nfs/dbraw/zinc/56/10/64/1164561064.db2.gz ABELJNOTTNXGQO-HRDYMLBCSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576964513 1164561072 /nfs/dbraw/zinc/56/10/72/1164561072.db2.gz ABELJNOTTNXGQO-HRDYMLBCSA-N -1 1 320.332 0.464 20 0 DCADMM CCC1(C(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001577086655 1164599853 /nfs/dbraw/zinc/59/98/53/1164599853.db2.gz DDDNYOBNSDUQRA-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001577086655 1164599861 /nfs/dbraw/zinc/59/98/61/1164599861.db2.gz DDDNYOBNSDUQRA-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)N[C@@H](C)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001577102056 1164603169 /nfs/dbraw/zinc/60/31/69/1164603169.db2.gz CWMJNSAKKHQGFP-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CCC1(C(=O)N[C@@H](C)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001577102056 1164603175 /nfs/dbraw/zinc/60/31/75/1164603175.db2.gz CWMJNSAKKHQGFP-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H]1[C@H](CO)CCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001577126450 1164611460 /nfs/dbraw/zinc/61/14/60/1164611460.db2.gz JXJLZEQZRZCPMB-GXSJLCMTSA-N -1 1 320.353 0.325 20 0 DCADMM CC[C@@H]1[C@H](CO)CCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001577126450 1164611467 /nfs/dbraw/zinc/61/14/67/1164611467.db2.gz JXJLZEQZRZCPMB-GXSJLCMTSA-N -1 1 320.353 0.325 20 0 DCADMM CC[C@H]1[C@@H](CO)CCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001577126457 1164611514 /nfs/dbraw/zinc/61/15/14/1164611514.db2.gz JXJLZEQZRZCPMB-KOLCDFICSA-N -1 1 320.353 0.325 20 0 DCADMM CC[C@H]1[C@@H](CO)CCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001577126457 1164611521 /nfs/dbraw/zinc/61/15/21/1164611521.db2.gz JXJLZEQZRZCPMB-KOLCDFICSA-N -1 1 320.353 0.325 20 0 DCADMM CCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577189997 1164628902 /nfs/dbraw/zinc/62/89/02/1164628902.db2.gz AVIHUCHEDKMEFO-JTQLQIEISA-N -1 1 316.369 0.139 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001577194341 1164629883 /nfs/dbraw/zinc/62/98/83/1164629883.db2.gz KHQSJZYLHOLHJE-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001577194341 1164629887 /nfs/dbraw/zinc/62/98/87/1164629887.db2.gz KHQSJZYLHOLHJE-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001577197841 1164630728 /nfs/dbraw/zinc/63/07/28/1164630728.db2.gz LFKNMWUPORLANJ-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001577197841 1164630729 /nfs/dbraw/zinc/63/07/29/1164630729.db2.gz LFKNMWUPORLANJ-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577200034 1164631010 /nfs/dbraw/zinc/63/10/10/1164631010.db2.gz FDIBTJNUSLIMPO-SNVBAGLBSA-N -1 1 316.369 0.778 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577200034 1164631015 /nfs/dbraw/zinc/63/10/15/1164631015.db2.gz FDIBTJNUSLIMPO-SNVBAGLBSA-N -1 1 316.369 0.778 20 0 DCADMM CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001577203409 1164633570 /nfs/dbraw/zinc/63/35/70/1164633570.db2.gz XSCWZCQEMSGOMB-UWVGGRQHSA-N -1 1 314.353 0.246 20 0 DCADMM CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001577203409 1164633572 /nfs/dbraw/zinc/63/35/72/1164633572.db2.gz XSCWZCQEMSGOMB-UWVGGRQHSA-N -1 1 314.353 0.246 20 0 DCADMM CCCC(=O)NCCN(CCC)c1nccnc1-c1nnn[n-]1 ZINC001577218978 1164639739 /nfs/dbraw/zinc/63/97/39/1164639739.db2.gz RDSSMYPDWNTAGX-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCC(=O)NCCN(CCC)c1nccnc1-c1nn[n-]n1 ZINC001577218978 1164639743 /nfs/dbraw/zinc/63/97/43/1164639743.db2.gz RDSSMYPDWNTAGX-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577219051 1164640693 /nfs/dbraw/zinc/64/06/93/1164640693.db2.gz VSOGEQGINUKEIW-AOOOYVTPSA-N -1 1 316.369 0.185 20 0 DCADMM CCCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001577403153 1164684670 /nfs/dbraw/zinc/68/46/70/1164684670.db2.gz LMQUBERAUVJBPM-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001577403153 1164684678 /nfs/dbraw/zinc/68/46/78/1164684678.db2.gz LMQUBERAUVJBPM-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCCC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001577417260 1164688697 /nfs/dbraw/zinc/68/86/97/1164688697.db2.gz PSZLWFYNKWNQHJ-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001577417260 1164688702 /nfs/dbraw/zinc/68/87/02/1164688702.db2.gz PSZLWFYNKWNQHJ-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)NCCN(CC)c1cnc(-c2nnn[n-]2)cn1 ZINC001577424885 1164689452 /nfs/dbraw/zinc/68/94/52/1164689452.db2.gz KKUJSVMIQHIDDP-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCCC(=O)NCCN(CC)c1cnc(-c2nn[n-]n2)cn1 ZINC001577424885 1164689455 /nfs/dbraw/zinc/68/94/55/1164689455.db2.gz KKUJSVMIQHIDDP-UHFFFAOYSA-N -1 1 318.385 0.789 20 0 DCADMM CCCNC(=O)CCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001577678937 1164764193 /nfs/dbraw/zinc/76/41/93/1164764193.db2.gz KKEQNXHWPQNWCB-UHFFFAOYSA-N -1 1 322.394 0.851 20 0 DCADMM CCN(CCNC(=O)C(C)(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001577919562 1164841607 /nfs/dbraw/zinc/84/16/07/1164841607.db2.gz KYJXONKFQPSPAV-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCNC(=O)C(C)(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001577919562 1164841612 /nfs/dbraw/zinc/84/16/12/1164841612.db2.gz KYJXONKFQPSPAV-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCOCCC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001578135968 1164932218 /nfs/dbraw/zinc/93/22/18/1164932218.db2.gz ACXDYIHMMBIBSB-LBPRGKRZSA-N -1 1 321.377 0.838 20 0 DCADMM CCOCCC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001578135967 1164932496 /nfs/dbraw/zinc/93/24/96/1164932496.db2.gz ACXDYIHMMBIBSB-GFCCVEGCSA-N -1 1 321.377 0.838 20 0 DCADMM CCOC(=O)c1nc[nH]c1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001578250781 1164963764 /nfs/dbraw/zinc/96/37/64/1164963764.db2.gz IHTCSGWYKRDWJU-UHFFFAOYSA-N -1 1 315.297 0.169 20 0 DCADMM CCOC(=O)c1nc[nH]c1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001578250781 1164963773 /nfs/dbraw/zinc/96/37/73/1164963773.db2.gz IHTCSGWYKRDWJU-UHFFFAOYSA-N -1 1 315.297 0.169 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001578436290 1165015831 /nfs/dbraw/zinc/01/58/31/1165015831.db2.gz LSYULRDGYQEUQZ-IVZWLZJFSA-N -1 1 316.369 0.041 20 0 DCADMM CCc1nc(NC2(CNC(C)=O)CCC2)cc(-c2nnn[n-]2)n1 ZINC001578638482 1165071625 /nfs/dbraw/zinc/07/16/25/1165071625.db2.gz KROMGMQPVQVDHL-UHFFFAOYSA-N -1 1 316.369 0.690 20 0 DCADMM CCc1nc(NC2(CNC(C)=O)CCC2)cc(-c2nn[n-]n2)n1 ZINC001578638482 1165071631 /nfs/dbraw/zinc/07/16/31/1165071631.db2.gz KROMGMQPVQVDHL-UHFFFAOYSA-N -1 1 316.369 0.690 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(C)ns2)c1=O ZINC001578735897 1165091534 /nfs/dbraw/zinc/09/15/34/1165091534.db2.gz GYWZBVDRYIPRJE-UHFFFAOYSA-N -1 1 319.350 0.023 20 0 DCADMM CCn1cnnc1CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001578800617 1165117437 /nfs/dbraw/zinc/11/74/37/1165117437.db2.gz DZAYFBYCSZRQRS-UHFFFAOYSA-N -1 1 314.313 0.195 20 0 DCADMM CCn1cnnc1CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001578800617 1165117445 /nfs/dbraw/zinc/11/74/45/1165117445.db2.gz DZAYFBYCSZRQRS-UHFFFAOYSA-N -1 1 314.313 0.195 20 0 DCADMM CCn1nccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001578828899 1165132429 /nfs/dbraw/zinc/13/24/29/1165132429.db2.gz XVAQNCBRRMEAJF-UHFFFAOYSA-N -1 1 313.325 0.800 20 0 DCADMM CCn1nccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001578828899 1165132433 /nfs/dbraw/zinc/13/24/33/1165132433.db2.gz XVAQNCBRRMEAJF-UHFFFAOYSA-N -1 1 313.325 0.800 20 0 DCADMM CN(C[C@@H](O)C1CC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579021165 1165189845 /nfs/dbraw/zinc/18/98/45/1165189845.db2.gz KTZAUZIZSHBNMN-SNVBAGLBSA-N -1 1 322.394 0.841 20 0 DCADMM CN(CCCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)C1CC1 ZINC001579117224 1165214916 /nfs/dbraw/zinc/21/49/16/1165214916.db2.gz TWIVSYLBRZRPGT-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)C1CC1 ZINC001579117224 1165214922 /nfs/dbraw/zinc/21/49/22/1165214922.db2.gz TWIVSYLBRZRPGT-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)CCCF ZINC001579150178 1165225677 /nfs/dbraw/zinc/22/56/77/1165225677.db2.gz VDRJHBDNDJNQFT-UHFFFAOYSA-N -1 1 322.348 0.301 20 0 DCADMM CN(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)CCCF ZINC001579150178 1165225680 /nfs/dbraw/zinc/22/56/80/1165225680.db2.gz VDRJHBDNDJNQFT-UHFFFAOYSA-N -1 1 322.348 0.301 20 0 DCADMM CN(CCNC(=O)c1ccco1)c1nccnc1-c1nnn[n-]1 ZINC001579200874 1165236379 /nfs/dbraw/zinc/23/63/79/1165236379.db2.gz WOADRJCXOOFULG-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN(CCNC(=O)c1ccco1)c1nccnc1-c1nn[n-]n1 ZINC001579200874 1165236387 /nfs/dbraw/zinc/23/63/87/1165236387.db2.gz WOADRJCXOOFULG-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN(Cc1ccccc1)C(=O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001579257549 1165250754 /nfs/dbraw/zinc/25/07/54/1165250754.db2.gz MBFICXDONMBBKD-UHFFFAOYSA-N -1 1 324.348 0.727 20 0 DCADMM CN(Cc1ccccc1)C(=O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001579257549 1165250766 /nfs/dbraw/zinc/25/07/66/1165250766.db2.gz MBFICXDONMBBKD-UHFFFAOYSA-N -1 1 324.348 0.727 20 0 DCADMM CN1C(=O)CC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579303307 1165265568 /nfs/dbraw/zinc/26/55/68/1165265568.db2.gz CAODZEVEPKDWLN-MRVPVSSYSA-N -1 1 306.351 0.165 20 0 DCADMM COC(=O)C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(C)n2)C[C@H]1C ZINC001579451347 1165314399 /nfs/dbraw/zinc/31/43/99/1165314399.db2.gz SLCZBXYMWSUZRG-PSASIEDQSA-N -1 1 317.353 0.601 20 0 DCADMM COC(=O)C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(C)n2)C[C@H]1C ZINC001579451347 1165314404 /nfs/dbraw/zinc/31/44/04/1165314404.db2.gz SLCZBXYMWSUZRG-PSASIEDQSA-N -1 1 317.353 0.601 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1nc(C)cc(-c3nnn[n-]3)n1)C2 ZINC001579472897 1165323683 /nfs/dbraw/zinc/32/36/83/1165323683.db2.gz OTKLBNILIHKEBF-ITMYJUKJSA-N -1 1 315.337 0.719 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1nc(C)cc(-c3nn[n-]n3)n1)C2 ZINC001579472897 1165323685 /nfs/dbraw/zinc/32/36/85/1165323685.db2.gz OTKLBNILIHKEBF-ITMYJUKJSA-N -1 1 315.337 0.719 20 0 DCADMM COC(=O)c1cc(Cn2ccc(-c3nn[n-]n3)cc2=O)cs1 ZINC001579479892 1165327055 /nfs/dbraw/zinc/32/70/55/1165327055.db2.gz YYTMZAVQSXRAJB-UHFFFAOYSA-N -1 1 317.330 0.925 20 0 DCADMM COC(=O)c1ccc(N[C@H](C)c2ncc[nH]2)c(-c2nnn[n-]2)n1 ZINC001579485293 1165328174 /nfs/dbraw/zinc/32/81/74/1165328174.db2.gz SRSLTJYZRYKTKV-SSDOTTSWSA-N -1 1 314.309 0.945 20 0 DCADMM COC(=O)c1ccc(N[C@H](C)c2ncc[nH]2)c(-c2nn[n-]n2)n1 ZINC001579485293 1165328180 /nfs/dbraw/zinc/32/81/80/1165328180.db2.gz SRSLTJYZRYKTKV-SSDOTTSWSA-N -1 1 314.309 0.945 20 0 DCADMM COC(=O)c1ccc(N2Cc3cccnc3C2)c(-c2nnn[n-]2)n1 ZINC001579483066 1165329423 /nfs/dbraw/zinc/32/94/23/1165329423.db2.gz XTJCEQFNTPGEHU-UHFFFAOYSA-N -1 1 323.316 0.964 20 0 DCADMM COC(=O)c1ccc(N2Cc3cccnc3C2)c(-c2nn[n-]n2)n1 ZINC001579483066 1165329427 /nfs/dbraw/zinc/32/94/27/1165329427.db2.gz XTJCEQFNTPGEHU-UHFFFAOYSA-N -1 1 323.316 0.964 20 0 DCADMM COC(=O)c1coc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)c1 ZINC001579492202 1165333360 /nfs/dbraw/zinc/33/33/60/1165333360.db2.gz XWSWXKBBJZLQLY-UHFFFAOYSA-N -1 1 315.289 0.765 20 0 DCADMM COC[C@@H]1CCCCN1C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001579747993 1165386995 /nfs/dbraw/zinc/38/69/95/1165386995.db2.gz RPIXFMBSYSBURQ-UWVGGRQHSA-N -1 1 320.357 0.047 20 0 DCADMM CO[C@@]1(C)C[C@H]1NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001579867688 1165416687 /nfs/dbraw/zinc/41/66/87/1165416687.db2.gz CLYFPHCQURKLNR-KBUNVGBDSA-N -1 1 309.355 0.931 20 0 DCADMM CO[C@@]1(C)C[C@H]1NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001579867688 1165416692 /nfs/dbraw/zinc/41/66/92/1165416692.db2.gz CLYFPHCQURKLNR-KBUNVGBDSA-N -1 1 309.355 0.931 20 0 DCADMM COc1cc(CCNC(=O)c2coc(-c3nnn[n-]3)c2)ccn1 ZINC001579922941 1165438041 /nfs/dbraw/zinc/43/80/41/1165438041.db2.gz JTLLQBSDPOTEPV-UHFFFAOYSA-N -1 1 314.305 0.836 20 0 DCADMM COc1cc(CCNC(=O)c2coc(-c3nn[n-]n3)c2)ccn1 ZINC001579922941 1165438044 /nfs/dbraw/zinc/43/80/44/1165438044.db2.gz JTLLQBSDPOTEPV-UHFFFAOYSA-N -1 1 314.305 0.836 20 0 DCADMM COc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)ccn1 ZINC001579932532 1165442007 /nfs/dbraw/zinc/44/20/07/1165442007.db2.gz MVJXFSSXTGFKPL-UHFFFAOYSA-N -1 1 315.293 0.748 20 0 DCADMM COc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)ccn1 ZINC001579932532 1165442014 /nfs/dbraw/zinc/44/20/14/1165442014.db2.gz MVJXFSSXTGFKPL-UHFFFAOYSA-N -1 1 315.293 0.748 20 0 DCADMM COc1ccc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)cc1F ZINC001580032414 1165479127 /nfs/dbraw/zinc/47/91/27/1165479127.db2.gz CJYYQJLGFREHCA-UHFFFAOYSA-N -1 1 318.268 0.325 20 0 DCADMM COc1ccccc1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001580082811 1165495556 /nfs/dbraw/zinc/49/55/56/1165495556.db2.gz FJMZTRSOFDNBMY-UHFFFAOYSA-N -1 1 313.321 0.790 20 0 DCADMM COc1ccccc1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001580082811 1165495564 /nfs/dbraw/zinc/49/55/64/1165495564.db2.gz FJMZTRSOFDNBMY-UHFFFAOYSA-N -1 1 313.321 0.790 20 0 DCADMM COc1ccnc(CNc2nccnc2-c2nnn[n-]2)c1F ZINC001580095430 1165501692 /nfs/dbraw/zinc/50/16/92/1165501692.db2.gz UXHPVZVCPNQKDE-UHFFFAOYSA-N -1 1 302.273 0.812 20 0 DCADMM COc1ccnc(CNc2nccnc2-c2nn[n-]n2)c1F ZINC001580095430 1165501697 /nfs/dbraw/zinc/50/16/97/1165501697.db2.gz UXHPVZVCPNQKDE-UHFFFAOYSA-N -1 1 302.273 0.812 20 0 DCADMM COc1ncc(NC(=O)Cc2ccn(C)n2)cc1-c1nn[n-]n1 ZINC001580135046 1165513219 /nfs/dbraw/zinc/51/32/19/1165513219.db2.gz ROPUPQRFSLEFHV-UHFFFAOYSA-N -1 1 314.309 0.185 20 0 DCADMM COc1ncc(NC(=O)Nc2ccn(C)n2)cc1-c1nn[n-]n1 ZINC001580139037 1165515014 /nfs/dbraw/zinc/51/50/14/1165515014.db2.gz YGSNCWKTMUQENJ-UHFFFAOYSA-N -1 1 315.297 0.648 20 0 DCADMM C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001580171881 1165526636 /nfs/dbraw/zinc/52/66/36/1165526636.db2.gz ANYDETLEQKTMNK-MRRMXDOQSA-N -1 1 320.378 0.291 20 0 DCADMM C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001580171881 1165526644 /nfs/dbraw/zinc/52/66/44/1165526644.db2.gz ANYDETLEQKTMNK-MRRMXDOQSA-N -1 1 320.378 0.291 20 0 DCADMM C[S@@](=O)c1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001580173039 1165527964 /nfs/dbraw/zinc/52/79/64/1165527964.db2.gz WZMASSKBJQVUSY-JOCHJYFZSA-N -1 1 315.362 0.428 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001580188732 1165530985 /nfs/dbraw/zinc/53/09/85/1165530985.db2.gz ZGUPVHSRHPQKEM-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001580188732 1165530991 /nfs/dbraw/zinc/53/09/91/1165530991.db2.gz ZGUPVHSRHPQKEM-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001580187548 1165532527 /nfs/dbraw/zinc/53/25/27/1165532527.db2.gz HTFGLDQICXCMSX-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001580187548 1165532530 /nfs/dbraw/zinc/53/25/30/1165532530.db2.gz HTFGLDQICXCMSX-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CC12CC2 ZINC001580413291 1165595801 /nfs/dbraw/zinc/59/58/01/1165595801.db2.gz FDCMQWAUZJJHAM-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CC12CC2 ZINC001580413291 1165595808 /nfs/dbraw/zinc/59/58/08/1165595808.db2.gz FDCMQWAUZJJHAM-BDAKNGLRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1 ZINC001580416665 1165598123 /nfs/dbraw/zinc/59/81/23/1165598123.db2.gz LUOGMXZSOOECJL-SNVBAGLBSA-N -1 1 324.348 0.309 20 0 DCADMM Nc1ccc(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)nc1 ZINC001580442897 1165603848 /nfs/dbraw/zinc/60/38/48/1165603848.db2.gz KNUPTBGXDLLPOI-SNVBAGLBSA-N -1 1 305.367 0.036 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](C)[C@H]1CCOC1 ZINC001580601297 1165651455 /nfs/dbraw/zinc/65/14/55/1165651455.db2.gz UXSLJMPUOJOGFT-IUCAKERBSA-N -1 1 318.337 0.431 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@]1(C)CCO[C@@H]1C ZINC001580602299 1165652666 /nfs/dbraw/zinc/65/26/66/1165652666.db2.gz OYRDOUWPSFSUTO-XLKFXECMSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1CC(CCO)C1 ZINC001580602677 1165653263 /nfs/dbraw/zinc/65/32/63/1165653263.db2.gz QVKKTCKMBUXIGU-UHFFFAOYSA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N(C)c2ccccc2)c1 ZINC001580609160 1165655868 /nfs/dbraw/zinc/65/58/68/1165655868.db2.gz PQPKIFUYVNNVPX-UHFFFAOYSA-N -1 1 324.344 1.000 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)C(C)C)CC2)n1 ZINC001580671361 1165682833 /nfs/dbraw/zinc/68/28/33/1165682833.db2.gz INAUYUCFSXUYKO-UHFFFAOYSA-N -1 1 316.369 0.270 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)C(C)C)CC2)n1 ZINC001580671361 1165682840 /nfs/dbraw/zinc/68/28/40/1165682840.db2.gz INAUYUCFSXUYKO-UHFFFAOYSA-N -1 1 316.369 0.270 20 0 DCADMM Cc1cc(F)c(-c2nn[nH]n2)cc1NC(=O)CCc1nn[n-]n1 ZINC001580933623 1165758999 /nfs/dbraw/zinc/75/89/99/1165758999.db2.gz ZOXUXMSXHBJJEV-UHFFFAOYSA-N -1 1 317.288 0.399 20 0 DCADMM Cc1ccn2cnnc2c1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001581275251 1165807898 /nfs/dbraw/zinc/80/78/98/1165807898.db2.gz SIXWBZFYOPYBLD-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1ccn2cnnc2c1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001581275251 1165807910 /nfs/dbraw/zinc/80/79/10/1165807910.db2.gz SIXWBZFYOPYBLD-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1onc(CC(=O)NCc2cnccc2C)c1-c1nnn[n-]1 ZINC001581289345 1165811256 /nfs/dbraw/zinc/81/12/56/1165811256.db2.gz QRQKOLIRJUSTFL-UHFFFAOYSA-N -1 1 313.321 0.725 20 0 DCADMM Cc1onc(CC(=O)NCc2cnccc2C)c1-c1nn[n-]n1 ZINC001581289345 1165811263 /nfs/dbraw/zinc/81/12/63/1165811263.db2.gz QRQKOLIRJUSTFL-UHFFFAOYSA-N -1 1 313.321 0.725 20 0 DCADMM Cc1csc(=O)n1CCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001581381781 1165819304 /nfs/dbraw/zinc/81/93/04/1165819304.db2.gz SQTQWGAQYMKZQO-UHFFFAOYSA-N -1 1 320.338 0.150 20 0 DCADMM Cc1nc(NC[C@H]2CCN(CC(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001581517826 1165837681 /nfs/dbraw/zinc/83/76/81/1165837681.db2.gz IAGZRIAZZCYNER-SECBINFHSA-N -1 1 324.339 0.964 20 0 DCADMM Cc1nc(NC[C@H]2CCN(CC(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001581517826 1165837689 /nfs/dbraw/zinc/83/76/89/1165837689.db2.gz IAGZRIAZZCYNER-SECBINFHSA-N -1 1 324.339 0.964 20 0 DCADMM Cc1nsc(N(C)CCNC(=O)[C@H]2C[C@H]2C)c1-c1nn[n-]n1 ZINC001581664518 1165856170 /nfs/dbraw/zinc/85/61/70/1165856170.db2.gz ZTOYIFWFIQPLMA-APPZFPTMSA-N -1 1 321.410 0.840 20 0 DCADMM Cc1nsc(N(C)CCN(C)C(=O)C2CC2)c1-c1nn[n-]n1 ZINC001581663497 1165856421 /nfs/dbraw/zinc/85/64/21/1165856421.db2.gz NZALEWSWITWMLY-UHFFFAOYSA-N -1 1 321.410 0.936 20 0 DCADMM NC(=O)c1coc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC001581906060 1165908892 /nfs/dbraw/zinc/90/88/92/1165908892.db2.gz GZTLWRMFSCBCHH-UHFFFAOYSA-N -1 1 320.700 0.614 20 0 DCADMM NC(=O)c1coc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC001581906060 1165908900 /nfs/dbraw/zinc/90/89/00/1165908900.db2.gz GZTLWRMFSCBCHH-UHFFFAOYSA-N -1 1 320.700 0.614 20 0 DCADMM NC(=O)c1sccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001581906015 1165910024 /nfs/dbraw/zinc/91/00/24/1165910024.db2.gz JJLOFPALKSTLLN-UHFFFAOYSA-N -1 1 304.291 0.872 20 0 DCADMM O=C(C1CC1)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001581922123 1165914908 /nfs/dbraw/zinc/91/49/08/1165914908.db2.gz MNZQICXYHKRFRN-SECBINFHSA-N -1 1 314.353 0.327 20 0 DCADMM O=C(C1CC1)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001581922123 1165914917 /nfs/dbraw/zinc/91/49/17/1165914917.db2.gz MNZQICXYHKRFRN-SECBINFHSA-N -1 1 314.353 0.327 20 0 DCADMM O=C(C1CC1)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001581922125 1165915657 /nfs/dbraw/zinc/91/56/57/1165915657.db2.gz MNZQICXYHKRFRN-VIFPVBQESA-N -1 1 314.353 0.327 20 0 DCADMM O=C(C1CC1)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001581922125 1165915659 /nfs/dbraw/zinc/91/56/59/1165915659.db2.gz MNZQICXYHKRFRN-VIFPVBQESA-N -1 1 314.353 0.327 20 0 DCADMM O=C(CCCF)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001582041783 1165942863 /nfs/dbraw/zinc/94/28/63/1165942863.db2.gz RBADHAXWCYQXQC-VIFPVBQESA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CCCF)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001582041783 1165942868 /nfs/dbraw/zinc/94/28/68/1165942868.db2.gz RBADHAXWCYQXQC-VIFPVBQESA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CCCF)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001582046011 1165944458 /nfs/dbraw/zinc/94/44/58/1165944458.db2.gz QRGQBQVPPOSTGL-SECBINFHSA-N -1 1 320.332 0.101 20 0 DCADMM O=C(CCCF)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001582046011 1165944463 /nfs/dbraw/zinc/94/44/63/1165944463.db2.gz QRGQBQVPPOSTGL-SECBINFHSA-N -1 1 320.332 0.101 20 0 DCADMM O=C(CNC(=O)c1coc(-c2nnn[n-]2)c1)Nc1cccnc1 ZINC001582110968 1165959187 /nfs/dbraw/zinc/95/91/87/1165959187.db2.gz ZJLLLOYPPDYCSJ-UHFFFAOYSA-N -1 1 313.277 0.223 20 0 DCADMM O=C(CNC(=O)c1coc(-c2nn[n-]n2)c1)Nc1cccnc1 ZINC001582110968 1165959199 /nfs/dbraw/zinc/95/91/99/1165959199.db2.gz ZJLLLOYPPDYCSJ-UHFFFAOYSA-N -1 1 313.277 0.223 20 0 DCADMM O=C(CSCc1ccncc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582133109 1165964302 /nfs/dbraw/zinc/96/43/02/1165964302.db2.gz QVGGCNAZYALZJO-UHFFFAOYSA-N -1 1 316.350 0.857 20 0 DCADMM O=C(CSCc1ccncc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582133109 1165964307 /nfs/dbraw/zinc/96/43/07/1165964307.db2.gz QVGGCNAZYALZJO-UHFFFAOYSA-N -1 1 316.350 0.857 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H](CO)c1ccccc1 ZINC001582138393 1165967144 /nfs/dbraw/zinc/96/71/44/1165967144.db2.gz CGIAKNFRPFDRMV-AWEZNQCLSA-N -1 1 324.344 0.654 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H](CO)c1ccccc1 ZINC001582138393 1165967149 /nfs/dbraw/zinc/96/71/49/1165967149.db2.gz CGIAKNFRPFDRMV-AWEZNQCLSA-N -1 1 324.344 0.654 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001582138347 1165968228 /nfs/dbraw/zinc/96/82/28/1165968228.db2.gz AHCCXWQUFGDAEQ-RTXFEEFZSA-N -1 1 314.349 0.488 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001582138347 1165968236 /nfs/dbraw/zinc/96/82/36/1165968236.db2.gz AHCCXWQUFGDAEQ-RTXFEEFZSA-N -1 1 314.349 0.488 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H]1CCCNC1=O ZINC001582550512 1166039101 /nfs/dbraw/zinc/03/91/01/1166039101.db2.gz ZUCFKRMIXZZTDQ-QMMMGPOBSA-N -1 1 321.366 0.006 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC2(COC2)C1 ZINC001582548529 1166039425 /nfs/dbraw/zinc/03/94/25/1166039425.db2.gz CBSSQUQEMUBXNH-UHFFFAOYSA-N -1 1 320.378 0.860 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H](CO)CCF ZINC001582548524 1166039711 /nfs/dbraw/zinc/03/97/11/1166039711.db2.gz CBCDKPMOCCLLQY-ZETCQYMHSA-N -1 1 314.346 0.448 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1C[C@]12CCOC2 ZINC001582548505 1166039803 /nfs/dbraw/zinc/03/98/03/1166039803.db2.gz RZVLWWYRJRDYLA-RNCFNFMXSA-N -1 1 305.363 0.971 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cccc(=O)[nH]1 ZINC001582559316 1166044962 /nfs/dbraw/zinc/04/49/62/1166044962.db2.gz QIUASHYGXXTEPU-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cccc(=O)[nH]1 ZINC001582559316 1166044967 /nfs/dbraw/zinc/04/49/67/1166044967.db2.gz QIUASHYGXXTEPU-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1conc1C(F)(F)F ZINC001582631762 1166057203 /nfs/dbraw/zinc/05/72/03/1166057203.db2.gz PCHFHRXCUGTSLY-UHFFFAOYSA-N -1 1 314.187 0.849 20 0 DCADMM O=C(Nc1nc2cnccn2n1)c1csc(-c2nn[n-]n2)c1 ZINC001582651815 1166060567 /nfs/dbraw/zinc/06/05/67/1166060567.db2.gz UMUDFHDCJJMISG-UHFFFAOYSA-N -1 1 313.306 0.618 20 0 DCADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1nncs1)CCC2 ZINC001582805982 1166078674 /nfs/dbraw/zinc/07/86/74/1166078674.db2.gz BHSAOFSMARZSBT-UHFFFAOYSA-N -1 1 301.335 0.417 20 0 DCADMM O=C1CN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](c2ccccc2)CN1 ZINC001582777349 1166079982 /nfs/dbraw/zinc/07/99/82/1166079982.db2.gz REYGOPFMEJTBPN-GFCCVEGCSA-N -1 1 322.332 0.334 20 0 DCADMM O=C1CN(c2ccc(-c3nn[n-]n3)nn2)[C@@H](c2ccccc2)CN1 ZINC001582777349 1166079988 /nfs/dbraw/zinc/07/99/88/1166079988.db2.gz REYGOPFMEJTBPN-GFCCVEGCSA-N -1 1 322.332 0.334 20 0 DCADMM O=c1c(-c2nn[n-]n2)cc2c(n1CCO[C@H]1CCOC1)CCC2 ZINC001582806928 1166085588 /nfs/dbraw/zinc/08/55/88/1166085588.db2.gz UPKXGMJGSGRTPC-NSHDSACASA-N -1 1 317.349 0.323 20 0 DCADMM OC[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC[C@H]1O ZINC001582812060 1166091113 /nfs/dbraw/zinc/09/11/13/1166091113.db2.gz IKGJRFCTPHCMAD-NTSWFWBYSA-N -1 1 316.774 0.156 20 0 DCADMM OC[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC[C@H]1O ZINC001582812060 1166091118 /nfs/dbraw/zinc/09/11/18/1166091118.db2.gz IKGJRFCTPHCMAD-NTSWFWBYSA-N -1 1 316.774 0.156 20 0 DCADMM CCCOCC(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001582825761 1166101252 /nfs/dbraw/zinc/10/12/52/1166101252.db2.gz QJKIQASWNPISJY-NSHDSACASA-N -1 1 309.366 0.696 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC001584439001 1166326674 /nfs/dbraw/zinc/32/66/74/1166326674.db2.gz AZDBXQVZQKJEJY-VDTYLAMSSA-N -1 1 306.351 0.807 20 0 DCADMM COc1ccc(C(=O)NCCCC(=O)N(C)c2nn[n-]n2)cc1 ZINC001586262421 1166489969 /nfs/dbraw/zinc/48/99/69/1166489969.db2.gz QQVYVCHLSUWESM-UHFFFAOYSA-N -1 1 318.337 0.381 20 0 DCADMM CC(=O)N(C)C1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001588796765 1166589359 /nfs/dbraw/zinc/58/93/59/1166589359.db2.gz FUPKBTTVSMSVJC-UHFFFAOYSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N(C)C1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001588796765 1166589368 /nfs/dbraw/zinc/58/93/68/1166589368.db2.gz FUPKBTTVSMSVJC-UHFFFAOYSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588811033 1166593636 /nfs/dbraw/zinc/59/36/36/1166593636.db2.gz WKNJJGWEJLRVRF-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588811033 1166593645 /nfs/dbraw/zinc/59/36/45/1166593645.db2.gz WKNJJGWEJLRVRF-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588838010 1166602210 /nfs/dbraw/zinc/60/22/10/1166602210.db2.gz VQHJATFRNISHKU-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM CC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588838010 1166602220 /nfs/dbraw/zinc/60/22/20/1166602220.db2.gz VQHJATFRNISHKU-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM CC(=O)NC1CC(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588839952 1166603291 /nfs/dbraw/zinc/60/32/91/1166603291.db2.gz HOHGRYTTWFPKAG-UHFFFAOYSA-N -1 1 302.342 0.292 20 0 DCADMM CC(=O)NC1CC(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588839952 1166603296 /nfs/dbraw/zinc/60/32/96/1166603296.db2.gz HOHGRYTTWFPKAG-UHFFFAOYSA-N -1 1 302.342 0.292 20 0 DCADMM CC(=O)NC1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCCC1 ZINC001588837765 1166603901 /nfs/dbraw/zinc/60/39/01/1166603901.db2.gz LBIDDUDIXMQTGN-UHFFFAOYSA-N -1 1 319.321 0.952 20 0 DCADMM CC(=O)NC1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCCC1 ZINC001588837765 1166603907 /nfs/dbraw/zinc/60/39/07/1166603907.db2.gz LBIDDUDIXMQTGN-UHFFFAOYSA-N -1 1 319.321 0.952 20 0 DCADMM CC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588840328 1166605127 /nfs/dbraw/zinc/60/51/27/1166605127.db2.gz ZYJXDUAGBRQBRJ-UWVGGRQHSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588840328 1166605132 /nfs/dbraw/zinc/60/51/32/1166605132.db2.gz ZYJXDUAGBRQBRJ-UWVGGRQHSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588855316 1166607687 /nfs/dbraw/zinc/60/76/87/1166607687.db2.gz SKLFOXYOEGESTH-JTQLQIEISA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588855316 1166607694 /nfs/dbraw/zinc/60/76/94/1166607694.db2.gz SKLFOXYOEGESTH-JTQLQIEISA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)Nc1ncccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588886862 1166613491 /nfs/dbraw/zinc/61/34/91/1166613491.db2.gz KRVOUFSFHYISPB-UHFFFAOYSA-N -1 1 324.304 0.867 20 0 DCADMM CC(=O)Nc1ncccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588886862 1166613498 /nfs/dbraw/zinc/61/34/98/1166613498.db2.gz KRVOUFSFHYISPB-UHFFFAOYSA-N -1 1 324.304 0.867 20 0 DCADMM C[C@H](C(=O)N1CC[C@@H]1C(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588952531 1166621636 /nfs/dbraw/zinc/62/16/36/1166621636.db2.gz WJWSQTMLYIOJNJ-RKDXNWHRSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@@H](C(=O)NC(C1CC1)C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970286 1166623401 /nfs/dbraw/zinc/62/34/01/1166623401.db2.gz GMIMEQKYTGVMSK-ZETCQYMHSA-N -1 1 302.342 0.324 20 0 DCADMM C[C@@H](C(=O)NC(C)(C)C)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001588966098 1166623846 /nfs/dbraw/zinc/62/38/46/1166623846.db2.gz UVDCLXXOUOJSPS-QMMMGPOBSA-N -1 1 304.358 0.396 20 0 DCADMM C[C@@H](C(=O)NC(C)(C)C)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001588966098 1166623854 /nfs/dbraw/zinc/62/38/54/1166623854.db2.gz UVDCLXXOUOJSPS-QMMMGPOBSA-N -1 1 304.358 0.396 20 0 DCADMM C[C@@H](C(=O)NC1(C2CC2)CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588971101 1166624015 /nfs/dbraw/zinc/62/40/15/1166624015.db2.gz WNONUUYOZNXDJN-QMMMGPOBSA-N -1 1 302.342 0.468 20 0 DCADMM C[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001589011863 1166626760 /nfs/dbraw/zinc/62/67/60/1166626760.db2.gz PFCWTMICVZMXIK-LURJTMIESA-N -1 1 307.314 0.506 20 0 DCADMM C[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001589011863 1166626763 /nfs/dbraw/zinc/62/67/63/1166626763.db2.gz PFCWTMICVZMXIK-LURJTMIESA-N -1 1 307.314 0.506 20 0 DCADMM C[C@H](C(=O)OCc1cncs1)n1cnc(-c2nn[n-]n2)n1 ZINC001589033044 1166630960 /nfs/dbraw/zinc/63/09/60/1166630960.db2.gz UOQMHJGEIDRWSU-ZCFIWIBFSA-N -1 1 306.311 0.219 20 0 DCADMM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589095280 1166635994 /nfs/dbraw/zinc/63/59/94/1166635994.db2.gz IOLYMDJCXPIZCU-KOLCDFICSA-N -1 1 323.353 0.348 20 0 DCADMM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589095280 1166635999 /nfs/dbraw/zinc/63/59/99/1166635999.db2.gz IOLYMDJCXPIZCU-KOLCDFICSA-N -1 1 323.353 0.348 20 0 DCADMM CC(C)(C)OC(=O)NCCn1cc(-c2nn[n-]n2)ccc1=O ZINC001589183165 1166640307 /nfs/dbraw/zinc/64/03/07/1166640307.db2.gz IPJUAOLGXNGWIY-UHFFFAOYSA-N -1 1 306.326 0.553 20 0 DCADMM CC(C)(CNc1ccnc(-c2nnn[n-]2)c1)[C@@]1(O)CCOC1 ZINC001589292800 1166645369 /nfs/dbraw/zinc/64/53/69/1166645369.db2.gz KOSDCCASKRFRSQ-CQSZACIVSA-N -1 1 304.354 0.273 20 0 DCADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)c1)[C@@]1(O)CCOC1 ZINC001589292800 1166645374 /nfs/dbraw/zinc/64/53/74/1166645374.db2.gz KOSDCCASKRFRSQ-CQSZACIVSA-N -1 1 304.354 0.273 20 0 DCADMM CC(C)(O)C(C)(C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589327100 1166646464 /nfs/dbraw/zinc/64/64/64/1166646464.db2.gz QLORYPBLOVTPFA-UHFFFAOYSA-N -1 1 305.342 0.933 20 0 DCADMM CC(C)(O)C(C)(C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589327100 1166646467 /nfs/dbraw/zinc/64/64/67/1166646467.db2.gz QLORYPBLOVTPFA-UHFFFAOYSA-N -1 1 305.342 0.933 20 0 DCADMM CC(C)C1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)COC1 ZINC001589490002 1166661967 /nfs/dbraw/zinc/66/19/67/1166661967.db2.gz GGKQLIUIULQINA-UHFFFAOYSA-N -1 1 302.338 0.551 20 0 DCADMM CC(C)C1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)COC1 ZINC001589490002 1166661970 /nfs/dbraw/zinc/66/19/70/1166661970.db2.gz GGKQLIUIULQINA-UHFFFAOYSA-N -1 1 302.338 0.551 20 0 DCADMM CC(C)[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC001589480664 1166662262 /nfs/dbraw/zinc/66/22/62/1166662262.db2.gz SDHDSHQRHCWHGC-LLVKDONJSA-N -1 1 318.337 0.531 20 0 DCADMM CC(C)[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC001589480664 1166662263 /nfs/dbraw/zinc/66/22/63/1166662263.db2.gz SDHDSHQRHCWHGC-LLVKDONJSA-N -1 1 318.337 0.531 20 0 DCADMM CC(C)[C@@H]1C[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)CCO1 ZINC001589498805 1166662668 /nfs/dbraw/zinc/66/26/68/1166662668.db2.gz DJEMVFNRJHYBSF-SCZZXKLOSA-N -1 1 305.342 0.980 20 0 DCADMM CC(C)CC(=O)NCCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001589533823 1166665777 /nfs/dbraw/zinc/66/57/77/1166665777.db2.gz GBJMYBXGZMDIJS-UHFFFAOYSA-N -1 1 306.330 0.081 20 0 DCADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccc(CO)nc2)CC1 ZINC001589628565 1166668290 /nfs/dbraw/zinc/66/82/90/1166668290.db2.gz OGHLCKULLQDASV-UHFFFAOYSA-N -1 1 307.350 0.195 20 0 DCADMM CC(C)N(CC(N)=O)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589679385 1166674214 /nfs/dbraw/zinc/67/42/14/1166674214.db2.gz QBZAWSNHMRMKHI-UHFFFAOYSA-N -1 1 306.301 0.342 20 0 DCADMM CC(C)N(CC(N)=O)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589679385 1166674218 /nfs/dbraw/zinc/67/42/18/1166674218.db2.gz QBZAWSNHMRMKHI-UHFFFAOYSA-N -1 1 306.301 0.342 20 0 DCADMM CC(C)c1nc(CCNc2ccc(-c3nnn[n-]3)nn2)n(C)n1 ZINC001589775606 1166686133 /nfs/dbraw/zinc/68/61/33/1166686133.db2.gz DPHXQJKDGWJVJL-UHFFFAOYSA-N -1 1 314.357 0.563 20 0 DCADMM CC(C)c1nc(CCNc2ccc(-c3nn[n-]n3)nn2)n(C)n1 ZINC001589775606 1166686137 /nfs/dbraw/zinc/68/61/37/1166686137.db2.gz DPHXQJKDGWJVJL-UHFFFAOYSA-N -1 1 314.357 0.563 20 0 DCADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589804446 1166690257 /nfs/dbraw/zinc/69/02/57/1166690257.db2.gz ZMEGNLRSWVTIKT-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589804446 1166690259 /nfs/dbraw/zinc/69/02/59/1166690259.db2.gz ZMEGNLRSWVTIKT-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589804449 1166690773 /nfs/dbraw/zinc/69/07/73/1166690773.db2.gz ZMEGNLRSWVTIKT-ZJUUUORDSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589804449 1166690778 /nfs/dbraw/zinc/69/07/78/1166690778.db2.gz ZMEGNLRSWVTIKT-ZJUUUORDSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](CCC1CC1)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001589805089 1166691129 /nfs/dbraw/zinc/69/11/29/1166691129.db2.gz PSDJLPUAEWNCID-SSDOTTSWSA-N -1 1 305.342 0.657 20 0 DCADMM C[C@H](CNC(=O)C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001589852851 1166700497 /nfs/dbraw/zinc/70/04/97/1166700497.db2.gz RLNXWXYRSLRWJT-QMMMGPOBSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@H](CNC(=O)C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001589852851 1166700503 /nfs/dbraw/zinc/70/05/03/1166700503.db2.gz RLNXWXYRSLRWJT-QMMMGPOBSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001589851877 1166700532 /nfs/dbraw/zinc/70/05/32/1166700532.db2.gz OIXRVDGGTXWWGQ-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001589851877 1166700538 /nfs/dbraw/zinc/70/05/38/1166700538.db2.gz OIXRVDGGTXWWGQ-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)c1ncon1 ZINC001589868081 1166702538 /nfs/dbraw/zinc/70/25/38/1166702538.db2.gz LCPQPKRLMLWDPF-LURJTMIESA-N -1 1 305.323 0.845 20 0 DCADMM C[C@@H](C[S@](C)=O)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589888179 1166711469 /nfs/dbraw/zinc/71/14/69/1166711469.db2.gz HLEQPZZPCBPBPG-SGWXMTNESA-N -1 1 309.355 0.150 20 0 DCADMM C[C@@H](C[S@](C)=O)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589888179 1166711475 /nfs/dbraw/zinc/71/14/75/1166711475.db2.gz HLEQPZZPCBPBPG-SGWXMTNESA-N -1 1 309.355 0.150 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1csnn1 ZINC001589926819 1166722215 /nfs/dbraw/zinc/72/22/15/1166722215.db2.gz WIOKPKRAOVMHJK-ZETCQYMHSA-N -1 1 316.350 0.533 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1csnn1 ZINC001589926819 1166722222 /nfs/dbraw/zinc/72/22/22/1166722222.db2.gz WIOKPKRAOVMHJK-ZETCQYMHSA-N -1 1 316.350 0.533 20 0 DCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCC(F)CC1 ZINC001589927098 1166724737 /nfs/dbraw/zinc/72/47/37/1166724737.db2.gz CQQKUNUGUQYNOB-XNWIYYODSA-N -1 1 322.348 0.491 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1csnn1 ZINC001589944320 1166727142 /nfs/dbraw/zinc/72/71/42/1166727142.db2.gz DVUSIEAOPRLXKD-ZCFIWIBFSA-N -1 1 302.323 0.604 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1csnn1 ZINC001589944320 1166727147 /nfs/dbraw/zinc/72/71/47/1166727147.db2.gz DVUSIEAOPRLXKD-ZCFIWIBFSA-N -1 1 302.323 0.604 20 0 DCADMM C[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@H](O)C(F)(F)F ZINC001589947824 1166728168 /nfs/dbraw/zinc/72/81/68/1166728168.db2.gz YKUNRUUNOWCMAE-XRGYYRRGSA-N -1 1 316.243 0.303 20 0 DCADMM C[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@H](O)C(F)(F)F ZINC001589947824 1166728178 /nfs/dbraw/zinc/72/81/78/1166728178.db2.gz YKUNRUUNOWCMAE-XRGYYRRGSA-N -1 1 316.243 0.303 20 0 DCADMM C[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@H](O)C(F)(F)F ZINC001589947823 1166728229 /nfs/dbraw/zinc/72/82/29/1166728229.db2.gz YKUNRUUNOWCMAE-XNCJUZBTSA-N -1 1 316.243 0.303 20 0 DCADMM C[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@H](O)C(F)(F)F ZINC001589947823 1166728234 /nfs/dbraw/zinc/72/82/34/1166728234.db2.gz YKUNRUUNOWCMAE-XNCJUZBTSA-N -1 1 316.243 0.303 20 0 DCADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1cccnc1 ZINC001589977093 1166735260 /nfs/dbraw/zinc/73/52/60/1166735260.db2.gz YJJNWWKPEPMHDV-QMMMGPOBSA-N -1 1 320.334 0.894 20 0 DCADMM C[C@H](O)[C@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001589994451 1166741171 /nfs/dbraw/zinc/74/11/71/1166741171.db2.gz GMYWBKQBJSKSQS-GZMMTYOYSA-N -1 1 317.353 0.120 20 0 DCADMM C[C@H](O)[C@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001589994451 1166741173 /nfs/dbraw/zinc/74/11/73/1166741173.db2.gz GMYWBKQBJSKSQS-GZMMTYOYSA-N -1 1 317.353 0.120 20 0 DCADMM C[C@H](O)CCN(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589999091 1166745368 /nfs/dbraw/zinc/74/53/68/1166745368.db2.gz OWVDLVTUVSIBCC-ZETCQYMHSA-N -1 1 311.371 0.236 20 0 DCADMM C[C@H](O)CCN(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589999091 1166745377 /nfs/dbraw/zinc/74/53/77/1166745377.db2.gz OWVDLVTUVSIBCC-ZETCQYMHSA-N -1 1 311.371 0.236 20 0 DCADMM C[C@H](C(=O)O[C@@H](C)C(=O)C(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001590003452 1166751289 /nfs/dbraw/zinc/75/12/89/1166751289.db2.gz APANBEKUNWDPFA-SFYZADRCSA-N -1 1 321.341 0.566 20 0 DCADMM CC1(C)CN(c2ncncc2-c2nn[n-]n2)C[C@]2(CCOC2)O1 ZINC001590109215 1166776121 /nfs/dbraw/zinc/77/61/21/1166776121.db2.gz FQSJTOOWHRMPBZ-AWEZNQCLSA-N -1 1 317.353 0.431 20 0 DCADMM CC1(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)OCCO1 ZINC001590120393 1166780827 /nfs/dbraw/zinc/78/08/27/1166780827.db2.gz NGDHOSDUJMGPMR-UHFFFAOYSA-N -1 1 317.353 0.636 20 0 DCADMM CC1(CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC001590130671 1166785421 /nfs/dbraw/zinc/78/54/21/1166785421.db2.gz SJUXMXSEXRNKOR-UHFFFAOYSA-N -1 1 319.373 0.338 20 0 DCADMM CC1(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)OCCO1 ZINC001590132848 1166785896 /nfs/dbraw/zinc/78/58/96/1166785896.db2.gz UHXAUYAQINRAAB-UHFFFAOYSA-N -1 1 307.285 0.499 20 0 DCADMM CC1(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)OCCO1 ZINC001590132848 1166785906 /nfs/dbraw/zinc/78/59/06/1166785906.db2.gz UHXAUYAQINRAAB-UHFFFAOYSA-N -1 1 307.285 0.499 20 0 DCADMM C[C@@H]1[C@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)CC(=O)N1C ZINC001590181234 1166801833 /nfs/dbraw/zinc/80/18/33/1166801833.db2.gz MYKNSGDKFNRBGA-GMSGAONNSA-N -1 1 302.294 0.038 20 0 DCADMM C[C@@H]1[C@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)CC(=O)N1C ZINC001590181234 1166801841 /nfs/dbraw/zinc/80/18/41/1166801841.db2.gz MYKNSGDKFNRBGA-GMSGAONNSA-N -1 1 302.294 0.038 20 0 DCADMM C[C@H]1C[C@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCC1=O ZINC001590183757 1166803771 /nfs/dbraw/zinc/80/37/71/1166803771.db2.gz RYFLUKSDBJGQHL-GXSJLCMTSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@@H]1C[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)[C@H](C)O1 ZINC001590183903 1166803733 /nfs/dbraw/zinc/80/37/33/1166803733.db2.gz VGUIPOYFPCKRNL-CSMHCCOUSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@@H]1C[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)[C@H](C)O1 ZINC001590183903 1166803738 /nfs/dbraw/zinc/80/37/38/1166803738.db2.gz VGUIPOYFPCKRNL-CSMHCCOUSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@H]1C[C@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCC1=O ZINC001590183757 1166803767 /nfs/dbraw/zinc/80/37/67/1166803767.db2.gz RYFLUKSDBJGQHL-GXSJLCMTSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)[C@@H](C)O1 ZINC001590202125 1166811443 /nfs/dbraw/zinc/81/14/43/1166811443.db2.gz WDKPSYIBIFHHOX-BWZBUEFSSA-N -1 1 323.382 0.688 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)[C@@H](C)O1 ZINC001590202125 1166811450 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CCCn1cc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cn1 ZINC001590664016 1166963099 /nfs/dbraw/zinc/96/30/99/1166963099.db2.gz JLBUEYLUPXWPPE-QMMMGPOBSA-N -1 1 316.329 0.264 20 0 DCADMM CCCc1nc(C)c(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)o1 ZINC001590660361 1166963412 /nfs/dbraw/zinc/96/34/12/1166963412.db2.gz IVCHZHYYTUXXQF-UHFFFAOYSA-N -1 1 317.309 0.426 20 0 DCADMM CCN1CCCN(Cc2cccc(-c3nn[n-]n3)n2)CC1=O ZINC001590732057 1166988252 /nfs/dbraw/zinc/98/82/52/1166988252.db2.gz ITINDZZOYZMTMM-UHFFFAOYSA-N -1 1 301.354 0.316 20 0 DCADMM CCN1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1=O ZINC001590736208 1166996220 /nfs/dbraw/zinc/99/62/20/1166996220.db2.gz OKWBWOSQQJUZBJ-UHFFFAOYSA-N -1 1 313.774 0.645 20 0 DCADMM CCN1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1=O ZINC001590736208 1166996225 /nfs/dbraw/zinc/99/62/25/1166996225.db2.gz OKWBWOSQQJUZBJ-UHFFFAOYSA-N -1 1 313.774 0.645 20 0 DCADMM CCOC(=O)C1(C(=O)OCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590756422 1167009014 /nfs/dbraw/zinc/00/90/14/1167009014.db2.gz YJIMBVRETWCZGH-UHFFFAOYSA-N -1 1 323.334 0.710 20 0 DCADMM CCOC(=O)C1(C(=O)OCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590756422 1167009022 /nfs/dbraw/zinc/00/90/22/1167009022.db2.gz YJIMBVRETWCZGH-UHFFFAOYSA-N -1 1 323.334 0.710 20 0 DCADMM CCOC(=O)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590758478 1167009268 /nfs/dbraw/zinc/00/92/68/1167009268.db2.gz WYMXEGYREVAIGD-VIFPVBQESA-N -1 1 303.326 0.436 20 0 DCADMM CCOC(=O)C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590763470 1167010426 /nfs/dbraw/zinc/01/04/26/1167010426.db2.gz KAECWMYFYRHCKV-VIFPVBQESA-N -1 1 303.326 0.579 20 0 DCADMM CCOC(=O)C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590763470 1167010428 /nfs/dbraw/zinc/01/04/28/1167010428.db2.gz KAECWMYFYRHCKV-VIFPVBQESA-N -1 1 303.326 0.579 20 0 DCADMM CCOC(=O)CC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590763305 1167010835 /nfs/dbraw/zinc/01/08/35/1167010835.db2.gz IODQBIVVIKKVNI-QMMMGPOBSA-N -1 1 307.310 0.921 20 0 DCADMM CCOC(=O)CC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590763305 1167010841 /nfs/dbraw/zinc/01/08/41/1167010841.db2.gz IODQBIVVIKKVNI-QMMMGPOBSA-N -1 1 307.310 0.921 20 0 DCADMM CCOC(=O)CN(CC(C)C)c1cc(-c2nnn[n-]2)ncn1 ZINC001590764800 1167012125 /nfs/dbraw/zinc/01/21/25/1167012125.db2.gz YCNSZDVWORXATF-UHFFFAOYSA-N -1 1 305.342 0.682 20 0 DCADMM CCOC(=O)CN(CC(C)C)c1cc(-c2nn[n-]n2)ncn1 ZINC001590764800 1167012128 /nfs/dbraw/zinc/01/21/28/1167012128.db2.gz YCNSZDVWORXATF-UHFFFAOYSA-N -1 1 305.342 0.682 20 0 DCADMM CCOC(=O)c1cnn(Cc2cccc(F)n2)c1-c1nn[n-]n1 ZINC001590775990 1167015824 /nfs/dbraw/zinc/01/58/24/1167015824.db2.gz YRUFKMMGFXTDCZ-UHFFFAOYSA-N -1 1 317.284 0.822 20 0 DCADMM CCOC(=O)c1cnn(C[C@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001590775939 1167016501 /nfs/dbraw/zinc/01/65/01/1167016501.db2.gz YLMSYSSBVKIVDS-SECBINFHSA-N -1 1 306.326 0.667 20 0 DCADMM CCOC(=O)c1cnn(CC(=O)OCC(C)C)c1-c1nn[n-]n1 ZINC001590776857 1167017883 /nfs/dbraw/zinc/01/78/83/1167017883.db2.gz XPOFZZWHXNUWSJ-UHFFFAOYSA-N -1 1 322.325 0.439 20 0 DCADMM CCOC(C)(C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590780680 1167018662 /nfs/dbraw/zinc/01/86/62/1167018662.db2.gz MBQBEVLLQXQZPS-UHFFFAOYSA-N -1 1 308.346 0.537 20 0 DCADMM CCOC(C)(C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590780680 1167018667 /nfs/dbraw/zinc/01/86/67/1167018667.db2.gz MBQBEVLLQXQZPS-UHFFFAOYSA-N -1 1 308.346 0.537 20 0 DCADMM CCO[C@@H]1C[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@@H]1OC ZINC001590795664 1167020495 /nfs/dbraw/zinc/02/04/95/1167020495.db2.gz YSTCRWXJDLRJEF-KKZNHRDASA-N -1 1 307.310 0.382 20 0 DCADMM CCO[C@@H]1C[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@@H]1OC ZINC001590795664 1167020499 /nfs/dbraw/zinc/02/04/99/1167020499.db2.gz YSTCRWXJDLRJEF-KKZNHRDASA-N -1 1 307.310 0.382 20 0 DCADMM CCO[C@@H]1C[C@H](NC(=O)c2csc(-c3nn[n-]n3)c2)[C@H]1OC ZINC001590790791 1167021836 /nfs/dbraw/zinc/02/18/36/1167021836.db2.gz FGCRUPZMXZUTCP-IQJOONFLSA-N -1 1 323.378 0.850 20 0 DCADMM CCOCC(=O)Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001590797484 1167023007 /nfs/dbraw/zinc/02/30/07/1167023007.db2.gz RYGDJAQIWJUDLG-UHFFFAOYSA-N -1 1 319.346 0.849 20 0 DCADMM CCc1nc(N[C@@H]2CC(C)(C)OC2=O)cc(-c2nnn[n-]2)n1 ZINC001590917779 1167051009 /nfs/dbraw/zinc/05/10/09/1167051009.db2.gz YEYCDATULPNTDU-MRVPVSSYSA-N -1 1 303.326 0.725 20 0 DCADMM CCc1nc(N[C@@H]2CC(C)(C)OC2=O)cc(-c2nn[n-]n2)n1 ZINC001590917779 1167051016 /nfs/dbraw/zinc/05/10/16/1167051016.db2.gz YEYCDATULPNTDU-MRVPVSSYSA-N -1 1 303.326 0.725 20 0 DCADMM CCc1nc(N[C@H]2CCC[C@@H]2C(=O)NC)cc(-c2nnn[n-]2)n1 ZINC001590917330 1167051357 /nfs/dbraw/zinc/05/13/57/1167051357.db2.gz NCAMCLFQCAMGKN-IUCAKERBSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(N[C@H]2CCC[C@@H]2C(=O)NC)cc(-c2nn[n-]n2)n1 ZINC001590917330 1167051360 /nfs/dbraw/zinc/05/13/60/1167051360.db2.gz NCAMCLFQCAMGKN-IUCAKERBSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(NC[C@@H](O)c2ccncc2)cc(-c2nnn[n-]2)n1 ZINC001590918116 1167052153 /nfs/dbraw/zinc/05/21/53/1167052153.db2.gz QRHMPJZUOMDMLT-LLVKDONJSA-N -1 1 312.337 0.760 20 0 DCADMM CCc1nc(NC[C@@H](O)c2ccncc2)cc(-c2nn[n-]n2)n1 ZINC001590918116 1167052155 /nfs/dbraw/zinc/05/21/55/1167052155.db2.gz QRHMPJZUOMDMLT-LLVKDONJSA-N -1 1 312.337 0.760 20 0 DCADMM CCn1cc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)nn1 ZINC001590952896 1167056706 /nfs/dbraw/zinc/05/67/06/1167056706.db2.gz BONQWLISRAYYKN-UHFFFAOYSA-N -1 1 312.341 0.758 20 0 DCADMM CCn1cc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)nn1 ZINC001590952896 1167056708 /nfs/dbraw/zinc/05/67/08/1167056708.db2.gz BONQWLISRAYYKN-UHFFFAOYSA-N -1 1 312.341 0.758 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCOCCC(C)C)c1=O ZINC001590949505 1167057010 /nfs/dbraw/zinc/05/70/10/1167057010.db2.gz HHSJXKOBGRWNOH-UHFFFAOYSA-N -1 1 322.369 0.273 20 0 DCADMM CCn1nc(C)c(COc2ccc(F)nc2-c2nn[n-]n2)n1 ZINC001590965682 1167060495 /nfs/dbraw/zinc/06/04/95/1167060495.db2.gz SJCVCKBYKQJBAU-UHFFFAOYSA-N -1 1 304.289 0.900 20 0 DCADMM CN(C(=O)Cn1ccn2ncc(-c3nn[n-]n3)c12)c1ccccc1 ZINC001590986289 1167066047 /nfs/dbraw/zinc/06/60/47/1167066047.db2.gz HUNPMADVGOFGDW-UHFFFAOYSA-N -1 1 322.332 0.979 20 0 DCADMM CN(C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C1(CO)CC1 ZINC001590990757 1167068694 /nfs/dbraw/zinc/06/86/94/1167068694.db2.gz LUINWGVEGPABSZ-UHFFFAOYSA-N -1 1 309.276 0.742 20 0 DCADMM CN(C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C1(CO)CC1 ZINC001590990757 1167068698 /nfs/dbraw/zinc/06/86/98/1167068698.db2.gz LUINWGVEGPABSZ-UHFFFAOYSA-N -1 1 309.276 0.742 20 0 DCADMM CN(C)C(=O)[C@@H]1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591002761 1167071363 /nfs/dbraw/zinc/07/13/63/1167071363.db2.gz UOOHSGHPFNEKKA-SECBINFHSA-N -1 1 318.337 0.400 20 0 DCADMM CN(C)C(=O)[C@@H]1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591002761 1167071371 /nfs/dbraw/zinc/07/13/71/1167071371.db2.gz UOOHSGHPFNEKKA-SECBINFHSA-N -1 1 318.337 0.400 20 0 DCADMM CN(C)C(=O)c1ccc(CNc2ncncc2-c2nn[n-]n2)cc1 ZINC001591005022 1167072812 /nfs/dbraw/zinc/07/28/12/1167072812.db2.gz SYMHGZPTJPTGMH-UHFFFAOYSA-N -1 1 324.348 0.971 20 0 DCADMM CN(CCOCC1CC1)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001591109558 1167105490 /nfs/dbraw/zinc/10/54/90/1167105490.db2.gz PMDOCYMHRJJWIA-UHFFFAOYSA-N -1 1 304.354 0.344 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)C(C)(C)F ZINC001591105919 1167105647 /nfs/dbraw/zinc/10/56/47/1167105647.db2.gz TWQOHFFGOMPWSC-UHFFFAOYSA-N -1 1 308.321 0.275 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)C(C)(C)F ZINC001591105919 1167105654 /nfs/dbraw/zinc/10/56/54/1167105654.db2.gz TWQOHFFGOMPWSC-UHFFFAOYSA-N -1 1 308.321 0.275 20 0 DCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCN(C)C1=O ZINC001591187600 1167137671 /nfs/dbraw/zinc/13/76/71/1167137671.db2.gz DIIZHEVTYSHKAG-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCN(C)C1=O ZINC001591187600 1167137677 /nfs/dbraw/zinc/13/76/77/1167137677.db2.gz DIIZHEVTYSHKAG-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CNC(=O)[C@H]1CCC[C@H]1Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591203253 1167151332 /nfs/dbraw/zinc/15/13/32/1167151332.db2.gz CCJTWJDEEHYZAB-WDEREUQCSA-N -1 1 301.354 0.319 20 0 DCADMM CNC(=O)[C@H]1CCC[C@H]1Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591203253 1167151338 /nfs/dbraw/zinc/15/13/38/1167151338.db2.gz CCJTWJDEEHYZAB-WDEREUQCSA-N -1 1 301.354 0.319 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@@H]1Nc1snc(C)c1-c1nn[n-]n1 ZINC001591203831 1167152381 /nfs/dbraw/zinc/15/23/81/1167152381.db2.gz LIVNUVPTSYVZLU-SFYZADRCSA-N -1 1 307.383 0.958 20 0 DCADMM CNC(=O)c1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001591213221 1167159695 /nfs/dbraw/zinc/15/96/95/1167159695.db2.gz SKIRUKOAORASQK-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM CNC(=O)c1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001591213221 1167159701 /nfs/dbraw/zinc/15/97/01/1167159701.db2.gz SKIRUKOAORASQK-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM COC(=O)[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591244624 1167173884 /nfs/dbraw/zinc/17/38/84/1167173884.db2.gz YIIMMRCPRFBDCD-CQSZACIVSA-N -1 1 319.321 0.793 20 0 DCADMM COC(=O)[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591244624 1167173891 /nfs/dbraw/zinc/17/38/91/1167173891.db2.gz YIIMMRCPRFBDCD-CQSZACIVSA-N -1 1 319.321 0.793 20 0 DCADMM COC(=O)[C@]1(NC(=O)c2coc(-c3nnn[n-]3)c2)CCSC1 ZINC001591244714 1167175093 /nfs/dbraw/zinc/17/50/93/1167175093.db2.gz CGDDCVOXRACOBO-LBPRGKRZSA-N -1 1 323.334 0.238 20 0 DCADMM COC(=O)[C@]1(NC(=O)c2coc(-c3nn[n-]n3)c2)CCSC1 ZINC001591244714 1167175094 /nfs/dbraw/zinc/17/50/94/1167175094.db2.gz CGDDCVOXRACOBO-LBPRGKRZSA-N -1 1 323.334 0.238 20 0 DCADMM COC(=O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001591253993 1167178861 /nfs/dbraw/zinc/17/88/61/1167178861.db2.gz USEJRVFTSYBFDG-SECBINFHSA-N -1 1 315.337 0.533 20 0 DCADMM COC(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001591253993 1167178865 /nfs/dbraw/zinc/17/88/65/1167178865.db2.gz USEJRVFTSYBFDG-SECBINFHSA-N -1 1 315.337 0.533 20 0 DCADMM COC(=O)/C=C/[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591257582 1167181222 /nfs/dbraw/zinc/18/12/22/1167181222.db2.gz SLWMJWYJFYGFMT-XUTFHDRNSA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)/C=C/[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591257582 1167181225 /nfs/dbraw/zinc/18/12/25/1167181225.db2.gz SLWMJWYJFYGFMT-XUTFHDRNSA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)CCCCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001591262990 1167185426 /nfs/dbraw/zinc/18/54/26/1167185426.db2.gz MAOSNRFKLSGISL-UHFFFAOYSA-N -1 1 305.342 0.614 20 0 DCADMM COC(=O)Cc1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591271925 1167190592 /nfs/dbraw/zinc/19/05/92/1167190592.db2.gz ZPTTZIXACUCQHJ-UHFFFAOYSA-N -1 1 311.305 0.538 20 0 DCADMM COC(=O)N(C)CC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001591271607 1167191873 /nfs/dbraw/zinc/19/18/73/1167191873.db2.gz UUOLZWXEGJPWSE-UHFFFAOYSA-N -1 1 306.282 0.003 20 0 DCADMM COC(=O)N(C)CC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001591271607 1167191874 /nfs/dbraw/zinc/19/18/74/1167191874.db2.gz UUOLZWXEGJPWSE-UHFFFAOYSA-N -1 1 306.282 0.003 20 0 DCADMM COC(=O)c1ccc(NC[C@H]2CCCOC2)c(-c2nnn[n-]2)n1 ZINC001591295646 1167204172 /nfs/dbraw/zinc/20/41/72/1167204172.db2.gz MLRZEHIOYJGKCE-SECBINFHSA-N -1 1 318.337 0.887 20 0 DCADMM COC(=O)c1ccc(NC[C@H]2CCCOC2)c(-c2nn[n-]n2)n1 ZINC001591295646 1167204180 /nfs/dbraw/zinc/20/41/80/1167204180.db2.gz MLRZEHIOYJGKCE-SECBINFHSA-N -1 1 318.337 0.887 20 0 DCADMM COC(=O)c1ccccc1Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001591303849 1167206441 /nfs/dbraw/zinc/20/64/41/1167206441.db2.gz BLTATHWQFVOFOI-UHFFFAOYSA-N -1 1 311.301 0.863 20 0 DCADMM CO[C@@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC001591317231 1167212170 /nfs/dbraw/zinc/21/21/70/1167212170.db2.gz RCMCAUJYVSTINZ-HTRCEHHLSA-N -1 1 310.339 0.313 20 0 DCADMM CO[C@@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC001591317231 1167212177 /nfs/dbraw/zinc/21/21/77/1167212177.db2.gz RCMCAUJYVSTINZ-HTRCEHHLSA-N -1 1 310.339 0.313 20 0 DCADMM CO[C@](C)(CO)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591318237 1167212335 /nfs/dbraw/zinc/21/23/35/1167212335.db2.gz NXANKMQGATWEIY-ZDUSSCGKSA-N -1 1 309.301 0.133 20 0 DCADMM CO[C@](C)(CO)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591318237 1167212340 /nfs/dbraw/zinc/21/23/40/1167212340.db2.gz NXANKMQGATWEIY-ZDUSSCGKSA-N -1 1 309.301 0.133 20 0 DCADMM CO[C@H](C)c1noc(CN(C)c2ncncc2-c2nn[n-]n2)n1 ZINC001591325166 1167214327 /nfs/dbraw/zinc/21/43/27/1167214327.db2.gz KPDKUUGBXLILFG-SSDOTTSWSA-N -1 1 317.313 0.384 20 0 DCADMM CO[C@H]([C@H](C)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001591326212 1167217357 /nfs/dbraw/zinc/21/73/57/1167217357.db2.gz KSEHFLNVKSRJRT-LKFCYVNXSA-N -1 1 316.365 0.734 20 0 DCADMM CO[C@H]([C@H](C)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001591326212 1167217358 /nfs/dbraw/zinc/21/73/58/1167217358.db2.gz KSEHFLNVKSRJRT-LKFCYVNXSA-N -1 1 316.365 0.734 20 0 DCADMM CO[C@H]1COCC[C@@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591363129 1167237066 /nfs/dbraw/zinc/23/70/66/1167237066.db2.gz RWZWCDDTUSKOJM-KWQFWETISA-N -1 1 307.310 0.336 20 0 DCADMM CO[C@H]1COCC[C@@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591363129 1167237075 /nfs/dbraw/zinc/23/70/75/1167237075.db2.gz RWZWCDDTUSKOJM-KWQFWETISA-N -1 1 307.310 0.336 20 0 DCADMM COC[C@H](C)OC[C@H](O)COc1cccnc1-c1nnn[n-]1 ZINC001591374666 1167244288 /nfs/dbraw/zinc/24/42/88/1167244288.db2.gz GRKGENOZBQOWOA-UWVGGRQHSA-N -1 1 309.326 0.053 20 0 DCADMM COC[C@H](C)OC[C@H](O)COc1cccnc1-c1nn[n-]n1 ZINC001591374666 1167244296 /nfs/dbraw/zinc/24/42/96/1167244296.db2.gz GRKGENOZBQOWOA-UWVGGRQHSA-N -1 1 309.326 0.053 20 0 DCADMM COCC1CN(C(=O)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001591395762 1167265032 /nfs/dbraw/zinc/26/50/32/1167265032.db2.gz JFFOCQDHWKXVIS-UHFFFAOYSA-N -1 1 309.355 0.742 20 0 DCADMM COCC1CN(C(=O)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001591395762 1167265035 /nfs/dbraw/zinc/26/50/35/1167265035.db2.gz JFFOCQDHWKXVIS-UHFFFAOYSA-N -1 1 309.355 0.742 20 0 DCADMM COC[C@H]1COCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591394941 1167265066 /nfs/dbraw/zinc/26/50/66/1167265066.db2.gz GMNDSKIFXUUFSA-VIFPVBQESA-N -1 1 319.325 0.141 20 0 DCADMM COC[C@H]1COCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591394941 1167265069 /nfs/dbraw/zinc/26/50/69/1167265069.db2.gz GMNDSKIFXUUFSA-VIFPVBQESA-N -1 1 319.325 0.141 20 0 DCADMM COC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H](C)O1 ZINC001591396458 1167265833 /nfs/dbraw/zinc/26/58/33/1167265833.db2.gz XPVWFOJHYAITJD-IUCAKERBSA-N -1 1 307.310 0.336 20 0 DCADMM COC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H](C)O1 ZINC001591396458 1167265841 /nfs/dbraw/zinc/26/58/41/1167265841.db2.gz XPVWFOJHYAITJD-IUCAKERBSA-N -1 1 307.310 0.336 20 0 DCADMM COCC[C@]1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC001591402668 1167268299 /nfs/dbraw/zinc/26/82/99/1167268299.db2.gz LFHGDUPRVQAWIG-ZDUSSCGKSA-N -1 1 323.378 0.854 20 0 DCADMM COCC[C@]1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC001591402668 1167268303 /nfs/dbraw/zinc/26/83/03/1167268303.db2.gz LFHGDUPRVQAWIG-ZDUSSCGKSA-N -1 1 323.378 0.854 20 0 DCADMM COCC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591402664 1167269779 /nfs/dbraw/zinc/26/97/79/1167269779.db2.gz DKTXEFDDQRXVSI-NSHDSACASA-N -1 1 318.337 0.139 20 0 DCADMM COCC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591402664 1167269784 /nfs/dbraw/zinc/26/97/84/1167269784.db2.gz DKTXEFDDQRXVSI-NSHDSACASA-N -1 1 318.337 0.139 20 0 DCADMM COCCN1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1=O ZINC001591430296 1167281567 /nfs/dbraw/zinc/28/15/67/1167281567.db2.gz IYEKGQZSRLDPOI-UHFFFAOYSA-N -1 1 323.744 0.168 20 0 DCADMM COCCN1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1=O ZINC001591430296 1167281570 /nfs/dbraw/zinc/28/15/70/1167281570.db2.gz IYEKGQZSRLDPOI-UHFFFAOYSA-N -1 1 323.744 0.168 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCO[C@@H]1CCCCO1 ZINC001591474882 1167307252 /nfs/dbraw/zinc/30/72/52/1167307252.db2.gz OBDBIVHWTIXJPD-GFCCVEGCSA-N -1 1 321.337 0.580 20 0 DCADMM COc1ccc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)nn1 ZINC001591601507 1167335566 /nfs/dbraw/zinc/33/55/66/1167335566.db2.gz AMKZPUHHMZRGAN-UHFFFAOYSA-N -1 1 316.277 0.924 20 0 DCADMM COc1ccc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)nn1 ZINC001591601507 1167335574 /nfs/dbraw/zinc/33/55/74/1167335574.db2.gz AMKZPUHHMZRGAN-UHFFFAOYSA-N -1 1 316.277 0.924 20 0 DCADMM COc1cnc(NC(=O)c2ccsc2-c2nnn[n-]2)nc1 ZINC001591657850 1167343859 /nfs/dbraw/zinc/34/38/59/1167343859.db2.gz ILKFVOOSQVEKHO-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1cnc(NC(=O)c2ccsc2-c2nn[n-]n2)nc1 ZINC001591657850 1167343873 /nfs/dbraw/zinc/34/38/73/1167343873.db2.gz ILKFVOOSQVEKHO-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1ncc(NC(=O)[C@H]2CCSC2)cc1-c1nn[n-]n1 ZINC001591663936 1167344473 /nfs/dbraw/zinc/34/44/73/1167344473.db2.gz DTPOOHZORLPSNL-ZETCQYMHSA-N -1 1 306.351 0.962 20 0 DCADMM COc1ncc(NC(=O)N2CCC(O)CC2)cc1-c1nn[n-]n1 ZINC001591665882 1167347110 /nfs/dbraw/zinc/34/71/10/1167347110.db2.gz ADWNOCJXOURJFH-UHFFFAOYSA-N -1 1 319.325 0.259 20 0 DCADMM CS(=O)(=O)[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001591672802 1167348115 /nfs/dbraw/zinc/34/81/15/1167348115.db2.gz CSCOLNLFNSINRW-IUCAKERBSA-N -1 1 323.382 0.424 20 0 DCADMM CS(=O)(=O)[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001591672802 1167348122 /nfs/dbraw/zinc/34/81/22/1167348122.db2.gz CSCOLNLFNSINRW-IUCAKERBSA-N -1 1 323.382 0.424 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001591672803 1167348734 /nfs/dbraw/zinc/34/87/34/1167348734.db2.gz CSCOLNLFNSINRW-RKDXNWHRSA-N -1 1 323.382 0.424 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001591672803 1167348740 /nfs/dbraw/zinc/34/87/40/1167348740.db2.gz CSCOLNLFNSINRW-RKDXNWHRSA-N -1 1 323.382 0.424 20 0 DCADMM CSC1(CNc2cc(-c3nnn[n-]3)ncn2)CCOCC1 ZINC001591688103 1167354748 /nfs/dbraw/zinc/35/47/48/1167354748.db2.gz DUVNAWGPZRDQGO-UHFFFAOYSA-N -1 1 307.383 0.981 20 0 DCADMM CSC1(CNc2cc(-c3nn[n-]n3)ncn2)CCOCC1 ZINC001591688103 1167354749 /nfs/dbraw/zinc/35/47/49/1167354749.db2.gz DUVNAWGPZRDQGO-UHFFFAOYSA-N -1 1 307.383 0.981 20 0 DCADMM CS[C@@H](CO)[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591690770 1167355303 /nfs/dbraw/zinc/35/53/03/1167355303.db2.gz VDPFWCNTNKOJNQ-XVKPBYJWSA-N -1 1 308.367 0.104 20 0 DCADMM CSC[C@@H]1CCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001591697715 1167358095 /nfs/dbraw/zinc/35/80/95/1167358095.db2.gz SXQMAWABGHCJCA-JTQLQIEISA-N -1 1 306.395 0.813 20 0 DCADMM C[C@]12CCCC[C@H]1CN2C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001591777767 1167374917 /nfs/dbraw/zinc/37/49/17/1167374917.db2.gz ZNBVALCLIJBPTG-ZANVPECISA-N -1 1 302.342 0.249 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)COC2(C)CCC2)nn1C ZINC001591797229 1167380617 /nfs/dbraw/zinc/38/06/17/1167380617.db2.gz UYSXNKIKBGJRTO-UHFFFAOYSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)COC2(C)CCC2)nn1C ZINC001591797229 1167380620 /nfs/dbraw/zinc/38/06/20/1167380620.db2.gz UYSXNKIKBGJRTO-UHFFFAOYSA-N -1 1 305.342 0.806 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CCO[C@@H](C)C2)nn1C ZINC001591799033 1167382937 /nfs/dbraw/zinc/38/29/37/1167382937.db2.gz QXDRECOAWUGQGI-CBAPKCEASA-N -1 1 305.342 0.662 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CCO[C@@H](C)C2)nn1C ZINC001591799033 1167382941 /nfs/dbraw/zinc/38/29/41/1167382941.db2.gz QXDRECOAWUGQGI-CBAPKCEASA-N -1 1 305.342 0.662 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CCO[C@H](C)C2)nn1C ZINC001591799032 1167383806 /nfs/dbraw/zinc/38/38/06/1167383806.db2.gz QXDRECOAWUGQGI-APPZFPTMSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CCO[C@H](C)C2)nn1C ZINC001591799032 1167383810 /nfs/dbraw/zinc/38/38/10/1167383810.db2.gz QXDRECOAWUGQGI-APPZFPTMSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C[C@@H]2CCCCO2)nn1C ZINC001591798692 1167384120 /nfs/dbraw/zinc/38/41/20/1167384120.db2.gz MYAPHHXNWMBZFB-VIFPVBQESA-N -1 1 305.342 0.806 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C[C@@H]2CCCCO2)nn1C ZINC001591798692 1167384124 /nfs/dbraw/zinc/38/41/24/1167384124.db2.gz MYAPHHXNWMBZFB-VIFPVBQESA-N -1 1 305.342 0.806 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](C)CCCO ZINC001591834573 1167390885 /nfs/dbraw/zinc/39/08/85/1167390885.db2.gz DHBYMIFZAJHKRQ-QMMMGPOBSA-N -1 1 306.326 0.167 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCNC(=O)OC(C)(C)C)c1 ZINC001591836806 1167391636 /nfs/dbraw/zinc/39/16/36/1167391636.db2.gz KWYSSBBBSXXBPX-UHFFFAOYSA-N -1 1 320.353 0.862 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](OCCO)C2)c1 ZINC001591889112 1167411355 /nfs/dbraw/zinc/41/13/55/1167411355.db2.gz POEDTMIFRCMVNB-LLVKDONJSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](OCCO)C2)c1 ZINC001591889112 1167411362 /nfs/dbraw/zinc/41/13/62/1167411362.db2.gz POEDTMIFRCMVNB-LLVKDONJSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(CC2CCC2)[C@@H](C)CO)n1 ZINC001591884633 1167411594 /nfs/dbraw/zinc/41/15/94/1167411594.db2.gz PMCBKXNPXKELGV-JTQLQIEISA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(CC2CCC2)[C@@H](C)CO)n1 ZINC001591884633 1167411597 /nfs/dbraw/zinc/41/15/97/1167411597.db2.gz PMCBKXNPXKELGV-JTQLQIEISA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C(N)=O)c2ccccc2)n1 ZINC001591890686 1167411619 /nfs/dbraw/zinc/41/16/19/1167411619.db2.gz KTFQNUPJWCZANG-LLVKDONJSA-N -1 1 310.321 0.604 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C(N)=O)c2ccccc2)n1 ZINC001591890686 1167411620 /nfs/dbraw/zinc/41/16/20/1167411620.db2.gz KTFQNUPJWCZANG-LLVKDONJSA-N -1 1 310.321 0.604 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(C)C)C(=O)C2)c1 ZINC001591887319 1167411857 /nfs/dbraw/zinc/41/18/57/1167411857.db2.gz CVKCTLDUGFWHAH-UHFFFAOYSA-N -1 1 301.354 0.627 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(C)C)C(=O)C2)c1 ZINC001591887319 1167411860 /nfs/dbraw/zinc/41/18/60/1167411860.db2.gz CVKCTLDUGFWHAH-UHFFFAOYSA-N -1 1 301.354 0.627 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCNC(=O)C(C)C)n1 ZINC001591897453 1167413758 /nfs/dbraw/zinc/41/37/58/1167413758.db2.gz GJFSNJNCLSJSHZ-UHFFFAOYSA-N -1 1 304.358 0.539 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCNC(=O)C(C)C)n1 ZINC001591897453 1167413761 /nfs/dbraw/zinc/41/37/61/1167413761.db2.gz GJFSNJNCLSJSHZ-UHFFFAOYSA-N -1 1 304.358 0.539 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)[C@@H](C)C2CC2)n1 ZINC001591900009 1167416466 /nfs/dbraw/zinc/41/64/66/1167416466.db2.gz HUWZPAJOWZHNML-VIFPVBQESA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)[C@@H](C)C2CC2)n1 ZINC001591900009 1167416474 /nfs/dbraw/zinc/41/64/74/1167416474.db2.gz HUWZPAJOWZHNML-VIFPVBQESA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)CC2CCC2)n1 ZINC001591899920 1167416827 /nfs/dbraw/zinc/41/68/27/1167416827.db2.gz DSFPRCDGTKNBJW-UHFFFAOYSA-N -1 1 316.369 0.683 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)CC2CCC2)n1 ZINC001591899920 1167416834 /nfs/dbraw/zinc/41/68/34/1167416834.db2.gz DSFPRCDGTKNBJW-UHFFFAOYSA-N -1 1 316.369 0.683 20 0 DCADMM Cc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)n(C)n1 ZINC001591965998 1167425020 /nfs/dbraw/zinc/42/50/20/1167425020.db2.gz PGBONEZCTDBYMZ-UHFFFAOYSA-N -1 1 303.351 0.900 20 0 DCADMM Cc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)n(C)n1 ZINC001591965998 1167425023 /nfs/dbraw/zinc/42/50/23/1167425023.db2.gz PGBONEZCTDBYMZ-UHFFFAOYSA-N -1 1 303.351 0.900 20 0 DCADMM Cc1cc(C)n(CCOC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001591955920 1167426532 /nfs/dbraw/zinc/42/65/32/1167426532.db2.gz MJPMHIBGPVLULW-UHFFFAOYSA-N -1 1 313.321 0.932 20 0 DCADMM Cc1cc(C)n(CCOC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001591955920 1167426537 /nfs/dbraw/zinc/42/65/37/1167426537.db2.gz MJPMHIBGPVLULW-UHFFFAOYSA-N -1 1 313.321 0.932 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](CO)[C@H]1CCOC1 ZINC001592114095 1167458241 /nfs/dbraw/zinc/45/82/41/1167458241.db2.gz NVEKNITWKXAUNZ-WDEREUQCSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@@H](C(=O)C2CC2)C1 ZINC001592114084 1167458983 /nfs/dbraw/zinc/45/89/83/1167458983.db2.gz NSDBBPKVBCCBPE-GFCCVEGCSA-N -1 1 314.349 0.754 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@@H](C(=O)C2CC2)C1 ZINC001592114084 1167458989 /nfs/dbraw/zinc/45/89/89/1167458989.db2.gz NSDBBPKVBCCBPE-GFCCVEGCSA-N -1 1 314.349 0.754 20 0 DCADMM Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1-c1nn[nH]n1 ZINC001592155141 1167464435 /nfs/dbraw/zinc/46/44/35/1167464435.db2.gz OVKIXHSIWAZOCG-CYBMUJFWSA-N -1 1 312.377 0.982 20 0 DCADMM Cc1ccc(N[C@H]2CC[C@@H](O)[C@@H](O)CC2)c(-c2nnn[n-]2)n1 ZINC001592183485 1167469900 /nfs/dbraw/zinc/46/99/00/1167469900.db2.gz FOBGNKOERQDKPQ-YHPBZONMSA-N -1 1 304.354 0.646 20 0 DCADMM Cc1ccc(N[C@H]2CC[C@@H](O)[C@@H](O)CC2)c(-c2nn[n-]n2)n1 ZINC001592183485 1167469904 /nfs/dbraw/zinc/46/99/04/1167469904.db2.gz FOBGNKOERQDKPQ-YHPBZONMSA-N -1 1 304.354 0.646 20 0 DCADMM Cc1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC001592186722 1167473065 /nfs/dbraw/zinc/47/30/65/1167473065.db2.gz YRSMXRBOVMLHPW-UHFFFAOYSA-N -1 1 313.321 0.316 20 0 DCADMM Cc1ccc(NCc2nnnn2CC2CC2)nc1-c1nnn[n-]1 ZINC001592185463 1167473154 /nfs/dbraw/zinc/47/31/54/1167473154.db2.gz XOKGXNZYUYYJDW-UHFFFAOYSA-N -1 1 312.341 0.579 20 0 DCADMM Cc1ccc(NCc2nnnn2CC2CC2)nc1-c1nn[n-]n1 ZINC001592185463 1167473160 /nfs/dbraw/zinc/47/31/60/1167473160.db2.gz XOKGXNZYUYYJDW-UHFFFAOYSA-N -1 1 312.341 0.579 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@]23C[C@H]2COC3(C)C)c1-c1nn[n-]n1 ZINC001592328306 1167489304 /nfs/dbraw/zinc/48/93/04/1167489304.db2.gz RWVKHMGFDONOTL-CPFSXVBKSA-N -1 1 303.326 0.652 20 0 DCADMM Cc1nc(-c2nn[n-]n2)c(N2NC(=O)[C@@](C)(C(C)C)CC2=O)o1 ZINC001592336823 1167493424 /nfs/dbraw/zinc/49/34/24/1167493424.db2.gz CDJCVDDHDRXBFF-CYBMUJFWSA-N -1 1 319.325 0.593 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2ncc(Cl)n2C)n1 ZINC001592338767 1167493812 /nfs/dbraw/zinc/49/38/12/1167493812.db2.gz MLJZULJZVMDHHN-UHFFFAOYSA-N -1 1 319.760 0.988 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2ncc(Cl)n2C)n1 ZINC001592338767 1167493817 /nfs/dbraw/zinc/49/38/17/1167493817.db2.gz MLJZULJZVMDHHN-UHFFFAOYSA-N -1 1 319.760 0.988 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)N2CCC[C@@H](C)C2)c1C ZINC001592339600 1167494354 /nfs/dbraw/zinc/49/43/54/1167494354.db2.gz PWEFJBRJTHDEHG-SECBINFHSA-N -1 1 303.370 0.939 20 0 DCADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)N2CCC[C@@H](C)C2)c1C ZINC001592339600 1167494355 /nfs/dbraw/zinc/49/43/55/1167494355.db2.gz PWEFJBRJTHDEHG-SECBINFHSA-N -1 1 303.370 0.939 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)C(C)C)CC2)n1 ZINC001592340179 1167495891 /nfs/dbraw/zinc/49/58/91/1167495891.db2.gz DKSCSYJTPLBMGI-UHFFFAOYSA-N -1 1 316.369 0.270 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)C(C)C)CC2)n1 ZINC001592340179 1167495896 /nfs/dbraw/zinc/49/58/96/1167495896.db2.gz DKSCSYJTPLBMGI-UHFFFAOYSA-N -1 1 316.369 0.270 20 0 DCADMM Cc1nc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c2ccccn12 ZINC001592349888 1167502890 /nfs/dbraw/zinc/50/28/90/1167502890.db2.gz HXZPNAXOFQHFNI-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1nc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c2ccccn12 ZINC001592349888 1167502896 /nfs/dbraw/zinc/50/28/96/1167502896.db2.gz HXZPNAXOFQHFNI-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1nc(N[C@@H]2CCN(C(C)C)C2=O)cc(-c2nnn[n-]2)n1 ZINC001592382465 1167510019 /nfs/dbraw/zinc/51/00/19/1167510019.db2.gz FGRUWPOEAFFMTB-SECBINFHSA-N -1 1 302.342 0.386 20 0 DCADMM Cc1nc(N[C@@H]2CCN(C(C)C)C2=O)cc(-c2nn[n-]n2)n1 ZINC001592382465 1167510022 /nfs/dbraw/zinc/51/00/22/1167510022.db2.gz FGRUWPOEAFFMTB-SECBINFHSA-N -1 1 302.342 0.386 20 0 DCADMM Cc1c([C@@H]2C[C@H]2Nc2cc(-c3nnn[n-]3)nc(C)n2)cnn1C ZINC001592394621 1167512034 /nfs/dbraw/zinc/51/20/34/1167512034.db2.gz RIPAKIXCBDRPLV-GXSJLCMTSA-N -1 1 311.353 0.975 20 0 DCADMM Cc1c([C@@H]2C[C@H]2Nc2cc(-c3nn[n-]n3)nc(C)n2)cnn1C ZINC001592394621 1167512040 /nfs/dbraw/zinc/51/20/40/1167512040.db2.gz RIPAKIXCBDRPLV-GXSJLCMTSA-N -1 1 311.353 0.975 20 0 DCADMM Cc1nc2n(n1)CCN(C(=O)c1ccsc1-c1nnn[n-]1)C2 ZINC001592405096 1167514200 /nfs/dbraw/zinc/51/42/00/1167514200.db2.gz KHODRCIEWFIKIO-UHFFFAOYSA-N -1 1 316.350 0.484 20 0 DCADMM Cc1nc2n(n1)CCN(C(=O)c1ccsc1-c1nn[n-]n1)C2 ZINC001592405096 1167514205 /nfs/dbraw/zinc/51/42/05/1167514205.db2.gz KHODRCIEWFIKIO-UHFFFAOYSA-N -1 1 316.350 0.484 20 0 DCADMM Cc1ncc2c(n1)CC[C@H](Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001592412787 1167514728 /nfs/dbraw/zinc/51/47/28/1167514728.db2.gz JTVPFVDOEDAJIB-JTQLQIEISA-N -1 1 309.337 0.146 20 0 DCADMM Cc1nc2ccccn2c(=O)c1CCn1cnc(-c2nn[n-]n2)n1 ZINC001592404503 1167514791 /nfs/dbraw/zinc/51/47/91/1167514791.db2.gz PBQKZCFJRTWOLT-UHFFFAOYSA-N -1 1 323.320 0.017 20 0 DCADMM Cc1nccnc1N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592420058 1167517871 /nfs/dbraw/zinc/51/78/71/1167517871.db2.gz OCNFFGDNCMZTQD-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nccnc1N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592420058 1167517879 /nfs/dbraw/zinc/51/78/79/1167517879.db2.gz OCNFFGDNCMZTQD-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ccc3nccn3c2)c1-c1nn[n-]n1 ZINC001592433032 1167520438 /nfs/dbraw/zinc/52/04/38/1167520438.db2.gz RBCSGQSUNVGQFX-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1nn(C[C@@H]2CC[C@@H](C3CC3)O2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436666 1167521984 /nfs/dbraw/zinc/52/19/84/1167521984.db2.gz YERZXULFDAYNER-RYUDHWBXSA-N -1 1 316.365 0.998 20 0 DCADMM Cc1noc(C)c1C(C)(C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592456547 1167528846 /nfs/dbraw/zinc/52/88/46/1167528846.db2.gz IAHKJKYUEKQYBJ-UHFFFAOYSA-N -1 1 316.325 0.868 20 0 DCADMM Cc1nsc(N2CC[C@@H]3COC(=O)N[C@H]3C2)c1-c1nn[n-]n1 ZINC001592476325 1167535730 /nfs/dbraw/zinc/53/57/30/1167535730.db2.gz CNJBVQRVLLCPPY-SFYZADRCSA-N -1 1 321.366 0.566 20 0 DCADMM Cc1nsc(NCCCCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC001592490158 1167538778 /nfs/dbraw/zinc/53/87/78/1167538778.db2.gz OWYCBOAADMCSLA-UHFFFAOYSA-N -1 1 316.412 0.868 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(=O)[nH]n1 ZINC001592500615 1167540532 /nfs/dbraw/zinc/54/05/32/1167540532.db2.gz GGRFFXDZUKIQRR-UHFFFAOYSA-N -1 1 301.266 0.194 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(=O)[nH]n1 ZINC001592500615 1167540537 /nfs/dbraw/zinc/54/05/37/1167540537.db2.gz GGRFFXDZUKIQRR-UHFFFAOYSA-N -1 1 301.266 0.194 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCNC(=O)CC1 ZINC001592502630 1167541354 /nfs/dbraw/zinc/54/13/54/1167541354.db2.gz ORTPZJRVDOOYBO-QMMMGPOBSA-N -1 1 304.310 0.167 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCNC(=O)CC1 ZINC001592502630 1167541358 /nfs/dbraw/zinc/54/13/58/1167541358.db2.gz ORTPZJRVDOOYBO-QMMMGPOBSA-N -1 1 304.310 0.167 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)c3ccc(-c4nn[nH]n4)cn3)ccnc1-2 ZINC001592543523 1167550122 /nfs/dbraw/zinc/55/01/22/1167550122.db2.gz AUQRBJXIMVWPQL-UHFFFAOYSA-N -1 1 321.304 0.169 20 0 DCADMM Cn1cc(C[C@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)cn1 ZINC001592571027 1167565026 /nfs/dbraw/zinc/56/50/26/1167565026.db2.gz MQDSXMBRGIARGJ-SNVBAGLBSA-N -1 1 311.353 0.459 20 0 DCADMM Cn1ccc([C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001592580194 1167568399 /nfs/dbraw/zinc/56/83/99/1167568399.db2.gz SLKMTDGWWKTQGV-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1[n-]c(CN2CCCc3c(-c4nn[nH]n4)cccc32)nc1=O ZINC001592596009 1167575400 /nfs/dbraw/zinc/57/54/00/1167575400.db2.gz XXIXHGKNDZWEGG-UHFFFAOYSA-N -1 1 312.337 0.241 20 0 DCADMM Cn1ncc(C2CC2)c1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592600139 1167578732 /nfs/dbraw/zinc/57/87/32/1167578732.db2.gz MOUOBSASMYPBSM-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1ncc(C2CC2)c1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592600139 1167578737 /nfs/dbraw/zinc/57/87/37/1167578737.db2.gz MOUOBSASMYPBSM-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM FC(F)c1ccnc(CNc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001592626990 1167587309 /nfs/dbraw/zinc/58/73/09/1167587309.db2.gz OBDRNRIQTZQEDV-UHFFFAOYSA-N -1 1 305.252 0.996 20 0 DCADMM FC(F)c1ccnc(CNc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001592626990 1167587316 /nfs/dbraw/zinc/58/73/16/1167587316.db2.gz OBDRNRIQTZQEDV-UHFFFAOYSA-N -1 1 305.252 0.996 20 0 DCADMM Fc1cc(Cn2cnc(-c3nn[n-]n3)n2)c2c(c1)COCO2 ZINC001592643407 1167589423 /nfs/dbraw/zinc/58/94/23/1167589423.db2.gz RVEISRAQZNBXDW-UHFFFAOYSA-N -1 1 303.257 0.512 20 0 DCADMM FC1(F)C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCN2C1 ZINC001592631809 1167590048 /nfs/dbraw/zinc/59/00/48/1167590048.db2.gz XUOUGHRUZGPUQH-QMMMGPOBSA-N -1 1 308.296 0.186 20 0 DCADMM FC1(F)C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCN2C1 ZINC001592631809 1167590055 /nfs/dbraw/zinc/59/00/55/1167590055.db2.gz XUOUGHRUZGPUQH-QMMMGPOBSA-N -1 1 308.296 0.186 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001592726178 1167616187 /nfs/dbraw/zinc/61/61/87/1167616187.db2.gz WUTYWNUPFMOUJW-VIFPVBQESA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001592725795 1167616389 /nfs/dbraw/zinc/61/63/89/1167616389.db2.gz JKFIHXKRMDDGND-QMMMGPOBSA-N -1 1 314.353 0.236 20 0 DCADMM NC(=O)C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001592725795 1167616396 /nfs/dbraw/zinc/61/63/96/1167616396.db2.gz JKFIHXKRMDDGND-QMMMGPOBSA-N -1 1 314.353 0.236 20 0 DCADMM NC(=O)CCCCC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592727062 1167617517 /nfs/dbraw/zinc/61/75/17/1167617517.db2.gz KVEZAQDIQCLXOW-UHFFFAOYSA-N -1 1 318.341 0.451 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC001592753545 1167631885 /nfs/dbraw/zinc/63/18/85/1167631885.db2.gz VWGANIOELPULCO-VHSXEESVSA-N -1 1 311.305 0.795 20 0 DCADMM Nc1cc2n(n1)CCN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC001592759803 1167635971 /nfs/dbraw/zinc/63/59/71/1167635971.db2.gz YZLSOLDDNMFHCZ-UHFFFAOYSA-N -1 1 317.744 0.714 20 0 DCADMM Nc1cc2n(n1)CCN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC001592759803 1167635973 /nfs/dbraw/zinc/63/59/73/1167635973.db2.gz YZLSOLDDNMFHCZ-UHFFFAOYSA-N -1 1 317.744 0.714 20 0 DCADMM O=C([C@H]1CCN(c2ncncc2-c2nn[n-]n2)C1)N1CCCC1 ZINC001592783848 1167642758 /nfs/dbraw/zinc/64/27/58/1167642758.db2.gz GRFJYIDKZAJRBN-JTQLQIEISA-N -1 1 314.353 0.105 20 0 DCADMM O=C(CCc1ncccn1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592857679 1167651846 /nfs/dbraw/zinc/65/18/46/1167651846.db2.gz ROVQAKACCNFIEU-UHFFFAOYSA-N -1 1 311.305 0.728 20 0 DCADMM O=C(CCc1ncccn1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592857679 1167651850 /nfs/dbraw/zinc/65/18/50/1167651850.db2.gz ROVQAKACCNFIEU-UHFFFAOYSA-N -1 1 311.305 0.728 20 0 DCADMM O=C(CNc1cncc(-c2nnn[n-]2)n1)OC1CCCCC1 ZINC001592878499 1167656202 /nfs/dbraw/zinc/65/62/02/1167656202.db2.gz HDBSFFJVSXFJDE-UHFFFAOYSA-N -1 1 303.326 0.945 20 0 DCADMM O=C(CNc1cncc(-c2nn[n-]n2)n1)OC1CCCCC1 ZINC001592878499 1167656208 /nfs/dbraw/zinc/65/62/08/1167656208.db2.gz HDBSFFJVSXFJDE-UHFFFAOYSA-N -1 1 303.326 0.945 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCn2cncc2C1 ZINC001592915603 1167665210 /nfs/dbraw/zinc/66/52/10/1167665210.db2.gz RJBLFMDLFRBTLX-UHFFFAOYSA-N -1 1 310.321 0.043 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@@H](O)C1CCC1 ZINC001592915728 1167665373 /nfs/dbraw/zinc/66/53/73/1167665373.db2.gz RRPTVYUWJCLSBE-GFCCVEGCSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@@H](O)C1CCC1 ZINC001592915728 1167665380 /nfs/dbraw/zinc/66/53/80/1167665380.db2.gz RRPTVYUWJCLSBE-GFCCVEGCSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCn2cncc21 ZINC001592915164 1167665951 /nfs/dbraw/zinc/66/59/51/1167665951.db2.gz LTEKCRYARSNNHM-SNVBAGLBSA-N -1 1 310.321 0.262 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CO[C@H](C2CC2)C1 ZINC001592915539 1167666257 /nfs/dbraw/zinc/66/62/57/1167666257.db2.gz PLPMMLDPQHPOQI-YPMHNXCESA-N -1 1 314.349 0.488 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CO[C@H](C2CC2)C1 ZINC001592915539 1167666263 /nfs/dbraw/zinc/66/62/63/1167666263.db2.gz PLPMMLDPQHPOQI-YPMHNXCESA-N -1 1 314.349 0.488 20 0 DCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)[C@@H]1Cc2ccccc21 ZINC001592937561 1167668298 /nfs/dbraw/zinc/66/82/98/1167668298.db2.gz DQXFQKJKSBUXTD-CYBMUJFWSA-N -1 1 307.313 0.937 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cscc1Cl ZINC001592941181 1167669966 /nfs/dbraw/zinc/66/99/66/1167669966.db2.gz HJWPIYSZRXHNLW-UHFFFAOYSA-N -1 1 310.730 0.812 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1ccc(-c2nnn[n-]2)o1 ZINC001592954012 1167674797 /nfs/dbraw/zinc/67/47/97/1167674797.db2.gz BNKWMXPEMHOOPF-SECBINFHSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(N[C@H](CO)c1cccnc1)c1ccc(-c2nn[n-]n2)o1 ZINC001592954012 1167674800 /nfs/dbraw/zinc/67/48/00/1167674800.db2.gz BNKWMXPEMHOOPF-SECBINFHSA-N -1 1 300.278 0.318 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]1CCO)c1ccnc(-c2nnn[n-]2)c1 ZINC001592976172 1167679479 /nfs/dbraw/zinc/67/94/79/1167679479.db2.gz BFVIKLXOXBQPDS-GXSJLCMTSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]1CCO)c1ccnc(-c2nn[n-]n2)c1 ZINC001592976172 1167679483 /nfs/dbraw/zinc/67/94/83/1167679483.db2.gz BFVIKLXOXBQPDS-GXSJLCMTSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592995198 1167681572 /nfs/dbraw/zinc/68/15/72/1167681572.db2.gz DNDMDOOOIYMNTG-YGRLFVJLSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592995198 1167681578 /nfs/dbraw/zinc/68/15/78/1167681578.db2.gz DNDMDOOOIYMNTG-YGRLFVJLSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@@H]1CCn2cncc2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592997078 1167682520 /nfs/dbraw/zinc/68/25/20/1167682520.db2.gz QOVMEOGYOSFBRM-SNVBAGLBSA-N -1 1 310.321 0.203 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1coc(-c2nnn[n-]2)c1 ZINC001593003859 1167683934 /nfs/dbraw/zinc/68/39/34/1167683934.db2.gz ISJOIYUXSOVKIW-AAEUAGOBSA-N -1 1 311.301 0.848 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1coc(-c2nn[n-]n2)c1 ZINC001593003859 1167683938 /nfs/dbraw/zinc/68/39/38/1167683938.db2.gz ISJOIYUXSOVKIW-AAEUAGOBSA-N -1 1 311.301 0.848 20 0 DCADMM O=C(NC[C@]1(O)CCSC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593020945 1167689346 /nfs/dbraw/zinc/68/93/46/1167689346.db2.gz HVNODZISJGIHDJ-CYBMUJFWSA-N -1 1 323.353 0.604 20 0 DCADMM O=C(NC[C@]1(O)CCSC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593020945 1167689349 /nfs/dbraw/zinc/68/93/49/1167689349.db2.gz HVNODZISJGIHDJ-CYBMUJFWSA-N -1 1 323.353 0.604 20 0 DCADMM O=C(NC[C@@H]1CC[C@@H](O)C1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593029426 1167690544 /nfs/dbraw/zinc/69/05/44/1167690544.db2.gz KDDCLHWEYOSPAV-PSASIEDQSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@@H]1CC[C@@H](O)C1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593029426 1167690548 /nfs/dbraw/zinc/69/05/48/1167690548.db2.gz KDDCLHWEYOSPAV-PSASIEDQSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@H]1CCCNC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001593037649 1167693443 /nfs/dbraw/zinc/69/34/43/1167693443.db2.gz JCNGRVJZDAOOJV-MRVPVSSYSA-N -1 1 318.312 0.262 20 0 DCADMM O=C(NC[C@H]1CCCNC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001593037649 1167693447 /nfs/dbraw/zinc/69/34/47/1167693447.db2.gz JCNGRVJZDAOOJV-MRVPVSSYSA-N -1 1 318.312 0.262 20 0 DCADMM O=C(NCCC1CCCC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001593065771 1167698656 /nfs/dbraw/zinc/69/86/56/1167698656.db2.gz ZFWUYDBDIMTNPT-UHFFFAOYSA-N -1 1 319.373 0.338 20 0 DCADMM O=C(NCCCOC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)o1 ZINC001593076939 1167700541 /nfs/dbraw/zinc/70/05/41/1167700541.db2.gz ISXQBJAOEXXFAS-JTQLQIEISA-N -1 1 321.337 0.633 20 0 DCADMM O=C(NCCCOC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)o1 ZINC001593076939 1167700545 /nfs/dbraw/zinc/70/05/45/1167700545.db2.gz ISXQBJAOEXXFAS-JTQLQIEISA-N -1 1 321.337 0.633 20 0 DCADMM O=C(NCCOC(=O)C1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593094139 1167707465 /nfs/dbraw/zinc/70/74/65/1167707465.db2.gz GFLSGIQDVAMDLX-UHFFFAOYSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001593109717 1167712534 /nfs/dbraw/zinc/71/25/34/1167712534.db2.gz MVVMPNRVTZOWKE-BBBLOLIVSA-N -1 1 302.342 0.011 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCOCC1 ZINC001593146581 1167722955 /nfs/dbraw/zinc/72/29/55/1167722955.db2.gz VCGQBBFUDUDZGW-NSHDSACASA-N -1 1 302.338 0.695 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCOCC1 ZINC001593146581 1167722964 /nfs/dbraw/zinc/72/29/64/1167722964.db2.gz VCGQBBFUDUDZGW-NSHDSACASA-N -1 1 302.338 0.695 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H]1C[C@]12CCOC2 ZINC001593149627 1167726704 /nfs/dbraw/zinc/72/67/04/1167726704.db2.gz QWEWZISNACDGOP-KRTXAFLBSA-N -1 1 306.351 0.366 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H]1C[C@]12CCOC2 ZINC001593149627 1167726711 /nfs/dbraw/zinc/72/67/11/1167726711.db2.gz QWEWZISNACDGOP-KRTXAFLBSA-N -1 1 306.351 0.366 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)C1(F)CCOCC1 ZINC001593149346 1167726912 /nfs/dbraw/zinc/72/69/12/1167726912.db2.gz OPARKKDXMKRJSU-UHFFFAOYSA-N -1 1 312.330 0.458 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)C1(F)CCOCC1 ZINC001593149346 1167726915 /nfs/dbraw/zinc/72/69/15/1167726915.db2.gz OPARKKDXMKRJSU-UHFFFAOYSA-N -1 1 312.330 0.458 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2c([nH]c1=O)CCC2 ZINC001593197370 1167735855 /nfs/dbraw/zinc/73/58/55/1167735855.db2.gz JJGHAUFCJWVHOY-UHFFFAOYSA-N -1 1 312.293 0.431 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2c([nH]c1=O)CCC2 ZINC001593197370 1167735863 /nfs/dbraw/zinc/73/58/63/1167735863.db2.gz JJGHAUFCJWVHOY-UHFFFAOYSA-N -1 1 312.293 0.431 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC001593244091 1167742945 /nfs/dbraw/zinc/74/29/45/1167742945.db2.gz KWLPGXGQRLTLSZ-NXEZZACHSA-N -1 1 315.337 0.687 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC001593244091 1167742953 /nfs/dbraw/zinc/74/29/53/1167742953.db2.gz KWLPGXGQRLTLSZ-NXEZZACHSA-N -1 1 315.337 0.687 20 0 DCADMM O=C(Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1)[C@@H]1C[C@@H]1F ZINC001593252459 1167744630 /nfs/dbraw/zinc/74/46/30/1167744630.db2.gz HLRPNDRSQJERQH-SFYZADRCSA-N -1 1 314.284 0.744 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc(=O)c2ccccc2o1 ZINC001593260499 1167747064 /nfs/dbraw/zinc/74/70/64/1167747064.db2.gz KSKAXRUVZXCXEE-UHFFFAOYSA-N -1 1 323.272 0.949 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cn(C2CCC2)nn1 ZINC001593259497 1167747588 /nfs/dbraw/zinc/74/75/88/1167747588.db2.gz AUQTVIJAZMMIRI-UHFFFAOYSA-N -1 1 300.286 0.159 20 0 DCADMM O=C(OCC[C@@H]1CCNC1=O)c1ccc(-c2nnn[n-]2)s1 ZINC001593286959 1167762452 /nfs/dbraw/zinc/76/24/52/1167762452.db2.gz ARSNHAWNCMXPTK-ZETCQYMHSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OCC[C@@H]1CCNC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC001593286959 1167762461 /nfs/dbraw/zinc/76/24/61/1167762461.db2.gz ARSNHAWNCMXPTK-ZETCQYMHSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OCC[C@@H]1CCCNC1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001593287112 1167762526 /nfs/dbraw/zinc/76/25/26/1167762526.db2.gz DUMQPJWSHTWUGE-VIFPVBQESA-N -1 1 316.321 0.335 20 0 DCADMM O=C(OCC[C@@H]1CCCNC1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001593287112 1167762535 /nfs/dbraw/zinc/76/25/35/1167762535.db2.gz DUMQPJWSHTWUGE-VIFPVBQESA-N -1 1 316.321 0.335 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCn2nccc2C1 ZINC001593337951 1167778456 /nfs/dbraw/zinc/77/84/56/1167778456.db2.gz BBVRVIGAQRPZKQ-UHFFFAOYSA-N -1 1 301.335 0.781 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCn2nccc2C1 ZINC001593337951 1167778465 /nfs/dbraw/zinc/77/84/65/1167778465.db2.gz BBVRVIGAQRPZKQ-UHFFFAOYSA-N -1 1 301.335 0.781 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H](C2OCCO2)C1 ZINC001593341870 1167781382 /nfs/dbraw/zinc/78/13/82/1167781382.db2.gz ZXBZWAPGSBMVIP-QMMMGPOBSA-N -1 1 305.294 0.295 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H](C2OCCO2)C1 ZINC001593341870 1167781385 /nfs/dbraw/zinc/78/13/85/1167781385.db2.gz ZXBZWAPGSBMVIP-QMMMGPOBSA-N -1 1 305.294 0.295 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@@]2(CCOC2=O)C1 ZINC001593370420 1167792504 /nfs/dbraw/zinc/79/25/04/1167792504.db2.gz BEIVSWCQUCYILK-CYBMUJFWSA-N -1 1 319.346 0.707 20 0 DCADMM O=C1C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CN1CC1CC1 ZINC001593386636 1167799353 /nfs/dbraw/zinc/79/93/53/1167799353.db2.gz RYBPGRBSQJCPGY-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C1C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CN1CC1CC1 ZINC001593386636 1167799363 /nfs/dbraw/zinc/79/93/63/1167799363.db2.gz RYBPGRBSQJCPGY-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C1CCN(c2ccc(-c3nnn[n-]3)nn2)CCCCCCN1 ZINC001593394614 1167805957 /nfs/dbraw/zinc/80/59/57/1167805957.db2.gz QOJNJZFOWDBKIW-UHFFFAOYSA-N -1 1 316.369 0.543 20 0 DCADMM O=C1CCN(c2ccc(-c3nn[n-]n3)nn2)CCCCCCN1 ZINC001593394614 1167805968 /nfs/dbraw/zinc/80/59/68/1167805968.db2.gz QOJNJZFOWDBKIW-UHFFFAOYSA-N -1 1 316.369 0.543 20 0 DCADMM O=C1OCCN1[C@H]1CCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001593414755 1167825451 /nfs/dbraw/zinc/82/54/51/1167825451.db2.gz MNPBGSZJQVDIFU-VIFPVBQESA-N -1 1 301.310 0.293 20 0 DCADMM O=C1OCCN1[C@H]1CCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001593414755 1167825469 /nfs/dbraw/zinc/82/54/69/1167825469.db2.gz MNPBGSZJQVDIFU-VIFPVBQESA-N -1 1 301.310 0.293 20 0 DCADMM O=S(=O)(Oc1cccnc1-c1nn[n-]n1)c1cncc(F)c1 ZINC001593449942 1167845787 /nfs/dbraw/zinc/84/57/87/1167845787.db2.gz MKZQMSLBKACMMT-UHFFFAOYSA-N -1 1 322.281 0.564 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N(C1CC1)C1CC1 ZINC001593456959 1167850058 /nfs/dbraw/zinc/85/00/58/1167850058.db2.gz GPOSZSFJYBSGOB-UHFFFAOYSA-N -1 1 306.351 0.577 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CCOc1ccccc1 ZINC001593489785 1167872895 /nfs/dbraw/zinc/87/28/95/1167872895.db2.gz ZZISTVREPVKUGX-UHFFFAOYSA-N -1 1 300.278 0.208 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cnc2ccccc2n1 ZINC001593495531 1167880293 /nfs/dbraw/zinc/88/02/93/1167880293.db2.gz HJHXDTQISUPTCZ-UHFFFAOYSA-N -1 1 306.289 0.415 20 0 DCADMM O=c1cc(CNc2cncc(-c3nnn[n-]3)n2)nc(C2CC2)[nH]1 ZINC001593495674 1167881186 /nfs/dbraw/zinc/88/11/86/1167881186.db2.gz PJNZBKRDPFBHRR-UHFFFAOYSA-N -1 1 311.309 0.642 20 0 DCADMM O=c1cc(CNc2cncc(-c3nn[n-]n3)n2)nc(C2CC2)[nH]1 ZINC001593495674 1167881190 /nfs/dbraw/zinc/88/11/90/1167881190.db2.gz PJNZBKRDPFBHRR-UHFFFAOYSA-N -1 1 311.309 0.642 20 0 DCADMM O[C@]1(C(F)F)CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001593510128 1167888620 /nfs/dbraw/zinc/88/86/20/1167888620.db2.gz WVKYDRZFCUHZSI-CYBMUJFWSA-N -1 1 323.307 0.740 20 0 DCADMM O[C@]1(C(F)F)CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001593510128 1167888627 /nfs/dbraw/zinc/88/86/27/1167888627.db2.gz WVKYDRZFCUHZSI-CYBMUJFWSA-N -1 1 323.307 0.740 20 0 DCADMM O[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@H]1F ZINC001593520861 1167894886 /nfs/dbraw/zinc/89/48/86/1167894886.db2.gz XRNVLUPPHUYRAG-PSASIEDQSA-N -1 1 305.317 0.443 20 0 DCADMM O[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@H]1F ZINC001593520861 1167894892 /nfs/dbraw/zinc/89/48/92/1167894892.db2.gz XRNVLUPPHUYRAG-PSASIEDQSA-N -1 1 305.317 0.443 20 0 DCADMM O[C@H]1CN(c2cccnc2-c2nnn[n-]2)CC2(CCOCC2)C1 ZINC001593519910 1167895914 /nfs/dbraw/zinc/89/59/14/1167895914.db2.gz QWHLGARYFVEBQW-LLVKDONJSA-N -1 1 316.365 0.630 20 0 DCADMM O[C@H]1CN(c2cccnc2-c2nn[n-]n2)CC2(CCOCC2)C1 ZINC001593519910 1167895920 /nfs/dbraw/zinc/89/59/20/1167895920.db2.gz QWHLGARYFVEBQW-LLVKDONJSA-N -1 1 316.365 0.630 20 0 DCADMM c1cc(NC[C@H]2CCC23CCOCC3)nc(-c2nn[n-]n2)n1 ZINC001593559042 1167936797 /nfs/dbraw/zinc/93/67/97/1167936797.db2.gz SOJQDVICQFQDRR-SNVBAGLBSA-N -1 1 301.354 0.697 20 0 DCADMM c1cc(NC2CCC3(CC2)OCCO3)cc(-c2nnn[n-]2)n1 ZINC001593559068 1167942619 /nfs/dbraw/zinc/94/26/19/1167942619.db2.gz UBLNJBMFFCYMNT-UHFFFAOYSA-N -1 1 302.338 0.781 20 0 DCADMM c1cc(NC2CCC3(CC2)OCCO3)cc(-c2nn[n-]n2)n1 ZINC001593559068 1167942627 /nfs/dbraw/zinc/94/26/27/1167942627.db2.gz UBLNJBMFFCYMNT-UHFFFAOYSA-N -1 1 302.338 0.781 20 0 DCADMM c1coc(-c2nc(CNc3cc(-c4nnn[n-]4)ncn3)no2)c1 ZINC001593589868 1167952986 /nfs/dbraw/zinc/95/29/86/1167952986.db2.gz VFXPJYRNHVQJHO-UHFFFAOYSA-N -1 1 311.265 0.912 20 0 DCADMM c1coc(-c2nc(CNc3cc(-c4nn[n-]n4)ncn3)no2)c1 ZINC001593589868 1167952988 /nfs/dbraw/zinc/95/29/88/1167952988.db2.gz VFXPJYRNHVQJHO-UHFFFAOYSA-N -1 1 311.265 0.912 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NCCNC(=O)c2ccn[nH]2)c1 ZINC001597388607 1168006943 /nfs/dbraw/zinc/00/69/43/1168006943.db2.gz OYBWOHMCHSKXTP-UHFFFAOYSA-N -1 1 316.317 0.396 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC(N3CCCC3=O)C2)c1 ZINC001597708793 1168011990 /nfs/dbraw/zinc/01/19/90/1168011990.db2.gz KEFFHVTURJZQCY-UHFFFAOYSA-N -1 1 302.330 0.960 20 0 DCADMM Cn1cnn(CC(=O)Nc2cc(F)c([O-])cc2Cl)c1=O ZINC001598582778 1168025091 /nfs/dbraw/zinc/02/50/91/1168025091.db2.gz NUCYZHZFUXAVIY-UHFFFAOYSA-N -1 1 300.677 0.719 20 0 DCADMM C[C@@H](O)[C@H]([NH2+]Cc1ncc(Br)cc1[O-])C(=O)[O-] ZINC001599845187 1168073678 /nfs/dbraw/zinc/07/36/78/1168073678.db2.gz OORBOLRCLKQIRK-ANLVUFKYSA-N -1 1 305.128 0.473 20 0 DCADMM Cc1c(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cnn1C ZINC001600012143 1168095955 /nfs/dbraw/zinc/09/59/55/1168095955.db2.gz ZCLJHLHGKYGFLI-LBPRGKRZSA-N -1 1 305.338 0.196 20 0 DCADMM Cc1cc(C(=O)N2CCN(CC(=O)[O-])CC2)c2cnn(C)c2n1 ZINC001600083218 1168114979 /nfs/dbraw/zinc/11/49/79/1168114979.db2.gz SQYZHPNCYCEHCJ-UHFFFAOYSA-N -1 1 317.349 0.119 20 0 DCADMM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N1CCN[C@@H](C)C1 ZINC001600119022 1168123784 /nfs/dbraw/zinc/12/37/84/1168123784.db2.gz JKLBPQDKNODXQD-JTQLQIEISA-N -1 1 305.334 0.452 20 0 DCADMM Cc1cc(CNC[C@]23COC(=O)N2CCOC3)oc1C(=O)[O-] ZINC001600208829 1168138793 /nfs/dbraw/zinc/13/87/93/1168138793.db2.gz WXDZUQQRJLMKMA-AWEZNQCLSA-N -1 1 310.306 0.597 20 0 DCADMM Cc1cc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nc(F)n1 ZINC001600240926 1168144488 /nfs/dbraw/zinc/14/44/88/1168144488.db2.gz CWHSRUWWUXSTJV-CQSZACIVSA-N -1 1 310.329 0.290 20 0 DCADMM Cc1cc(NC(=O)C(=O)N(C)Cc2nnc[nH]2)c(C(=O)[O-])s1 ZINC001600242043 1168145330 /nfs/dbraw/zinc/14/53/30/1168145330.db2.gz UBWWZGSGNXLINY-UHFFFAOYSA-N -1 1 323.334 0.470 20 0 DCADMM Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2C)cc(C(=O)[O-])c1 ZINC001600246952 1168148806 /nfs/dbraw/zinc/14/88/06/1168148806.db2.gz HIQPQPDXWVCVPD-MFKMUULPSA-N -1 1 319.361 0.841 20 0 DCADMM Cc1cc(NC(=O)[C@H]2CN3CCN2C[C@@H]3C)nc(C)c1C(=O)[O-] ZINC001600252355 1168150101 /nfs/dbraw/zinc/15/01/01/1168150101.db2.gz CIIPBBCHFOGZNC-CMPLNLGQSA-N -1 1 318.377 0.723 20 0 DCADMM Cc1ccc([C@H](CNC(=O)C[C@@H]2COCCN2)C(=O)[O-])cc1 ZINC001600379195 1168175072 /nfs/dbraw/zinc/17/50/72/1168175072.db2.gz RYURHQBHULRGBE-KGLIPLIRSA-N -1 1 306.362 0.658 20 0 DCADMM Cc1ccc([C@@H](CNC(=O)C[C@H]2COCCN2)C(=O)[O-])cc1 ZINC001600379196 1168175617 /nfs/dbraw/zinc/17/56/17/1168175617.db2.gz RYURHQBHULRGBE-UONOGXRCSA-N -1 1 306.362 0.658 20 0 DCADMM Cc1ccc([C@H](N)C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1 ZINC001600380896 1168176886 /nfs/dbraw/zinc/17/68/86/1168176886.db2.gz XOCQMZXCDVKMTQ-MCIONIFRSA-N -1 1 306.362 0.848 20 0 DCADMM Cc1ccc(C[C@@H](NCC(=O)NCC(F)F)C(=O)[O-])cc1 ZINC001600400771 1168179144 /nfs/dbraw/zinc/17/91/44/1168179144.db2.gz DNAHIIPQFLSNCL-LLVKDONJSA-N -1 1 300.305 0.962 20 0 DCADMM Cc1ccc(NC(=O)C(=O)NCc2c[nH]nn2)cc1C(=O)[O-] ZINC001600441745 1168185256 /nfs/dbraw/zinc/18/52/56/1168185256.db2.gz CMHCZNAUSBUKSH-UHFFFAOYSA-N -1 1 303.278 0.066 20 0 DCADMM Cc1conc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600644916 1168227203 /nfs/dbraw/zinc/22/72/03/1168227203.db2.gz JEMUTWSUBYXZTA-DDHJBXDOSA-N -1 1 307.350 0.688 20 0 DCADMM Cc1nc(CC(=O)NCc2cccc(OCC(=O)[O-])c2)n[nH]1 ZINC001600671673 1168241015 /nfs/dbraw/zinc/24/10/15/1168241015.db2.gz TURBFMDFZPFGAN-UHFFFAOYSA-N -1 1 304.306 0.435 20 0 DCADMM Cc1nc(CN2CCN(Cc3cccc(C(=O)[O-])n3)CC2)n[nH]1 ZINC001600701107 1168255930 /nfs/dbraw/zinc/25/59/30/1168255930.db2.gz KSQHHNVFHPOZQI-UHFFFAOYSA-N -1 1 316.365 0.524 20 0 DCADMM Cc1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)cs1 ZINC001600701746 1168257676 /nfs/dbraw/zinc/25/76/76/1168257676.db2.gz MCVYRNAOHZOBTP-RBLKWDMZSA-N -1 1 309.391 0.909 20 0 DCADMM Cc1nc(CNCCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])oc1C ZINC001600701968 1168257858 /nfs/dbraw/zinc/25/78/58/1168257858.db2.gz TUVKRVMSPMVJNO-VXGBXAGGSA-N -1 1 309.366 0.950 20 0 DCADMM Cc1oc(CN(C)C(=O)[C@]2(C)C[C@@H](O)CN2C)cc1C(=O)[O-] ZINC001600840226 1168483299 /nfs/dbraw/zinc/48/32/99/1168483299.db2.gz NZMNXFQJRAPQAT-BMIGLBTASA-N -1 1 310.350 0.700 20 0 DCADMM Cc1oc(CNC(=O)[C@H]2CN3CCN2C[C@@H]3C)cc1C(=O)[O-] ZINC001600847408 1168484230 /nfs/dbraw/zinc/48/42/30/1168484230.db2.gz YUXXPJJJTHPTOY-TVQRCGJNSA-N -1 1 307.350 0.291 20 0 DCADMM Cn1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c(C2CC2)n1 ZINC001600930270 1168512885 /nfs/dbraw/zinc/51/28/85/1168512885.db2.gz QHTGIJRSDZMMDI-NSHDSACASA-N -1 1 303.322 0.446 20 0 DCADMM Cn1cc(CN2CCC[C@@H](n3cc(CO)nn3)C2)cc1C(=O)[O-] ZINC001600951556 1168527428 /nfs/dbraw/zinc/52/74/28/1168527428.db2.gz LSKMROSWHAYSDY-CYBMUJFWSA-N -1 1 319.365 0.644 20 0 DCADMM Cn1cc(CNCC(=O)NCC(=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001600955505 1168529957 /nfs/dbraw/zinc/52/99/57/1168529957.db2.gz MTXIRCSIINWQON-UHFFFAOYSA-N -1 1 320.324 0.517 20 0 DCADMM N[C@H](Cc1cc2ccccc2o1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001601176819 1168625208 /nfs/dbraw/zinc/62/52/08/1168625208.db2.gz UPGPTCYANBLTGB-TZMCWYRMSA-N -1 1 318.329 0.615 20 0 DCADMM NS(=O)(=O)CCCN1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001601193537 1168652509 /nfs/dbraw/zinc/65/25/09/1168652509.db2.gz DSKBDHIBTCGATG-LBPRGKRZSA-N -1 1 314.363 0.185 20 0 DCADMM O=C([O-])[C@@H](NCC(=O)NC[C@H]1COc2ccccc2O1)C1CC1 ZINC001601323144 1168708918 /nfs/dbraw/zinc/70/89/18/1168708918.db2.gz QJEMPRIDRLLVMM-NHYWBVRUSA-N -1 1 320.345 0.395 20 0 DCADMM O=C([O-])c1cn(CCNC(=O)Cc2[nH]nc3ccccc32)nn1 ZINC001601375480 1168723702 /nfs/dbraw/zinc/72/37/02/1168723702.db2.gz LXBQUJJWDWWXOA-UHFFFAOYSA-N -1 1 314.305 0.212 20 0 DCADMM O=C([O-])[C@@H](Cn1cncn1)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC001601428587 1168744337 /nfs/dbraw/zinc/74/43/37/1168744337.db2.gz KUOOXJKCDSCLJN-SNVBAGLBSA-N -1 1 318.268 0.177 20 0 DCADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc(CO)c(F)c1 ZINC001601567942 1168784386 /nfs/dbraw/zinc/78/43/86/1168784386.db2.gz BHDREPNPRQSTGF-GFCCVEGCSA-N -1 1 307.281 0.467 20 0 DCADMM O=C([O-])[C@H](CC1CCOCC1)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001601642355 1168799141 /nfs/dbraw/zinc/79/91/41/1168799141.db2.gz GWDUAYOCLKMEQH-PWSUYJOCSA-N -1 1 322.365 0.611 20 0 DCADMM O=C([O-])[C@@H](CCC1OCCO1)NC(=O)[C@H]1CCCN1C1CC1 ZINC001601646929 1168802233 /nfs/dbraw/zinc/80/22/33/1168802233.db2.gz YYVHLHGVABLTFF-VXGBXAGGSA-N -1 1 312.366 0.336 20 0 DCADMM O=C([O-])[C@H](CNC(=O)[C@H]1CCN1C1CCCC1)[C@H]1CCOC1 ZINC001601652891 1168804921 /nfs/dbraw/zinc/80/49/21/1168804921.db2.gz VZADPVRPYKOGIS-IACUBPJLSA-N -1 1 310.394 0.857 20 0 DCADMM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001601777861 1168879918 /nfs/dbraw/zinc/87/99/18/1168879918.db2.gz BKPGQNGNORQIPL-BJJPWKGXSA-N -1 1 301.346 0.349 20 0 DCADMM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001601777864 1168881317 /nfs/dbraw/zinc/88/13/17/1168881317.db2.gz BKPGQNGNORQIPL-POQQGIQPSA-N -1 1 301.346 0.349 20 0 DCADMM O=C([O-])C[C@@]1([NH2+]Cc2nc3c(c(=O)[n-]2)COCC3)CCCOC1 ZINC001601936984 1168940149 /nfs/dbraw/zinc/94/01/49/1168940149.db2.gz DLEDCTXEWANAGD-HNNXBMFYSA-N -1 1 323.349 0.368 20 0 DCADMM O=C([O-])C[C@@]1(NCc2nc3c(c(=O)[nH]2)COCC3)CCCOC1 ZINC001601936984 1168940158 /nfs/dbraw/zinc/94/01/58/1168940158.db2.gz DLEDCTXEWANAGD-HNNXBMFYSA-N -1 1 323.349 0.368 20 0 DCADMM O=C([O-])CCCc1csc(NC(=O)C[C@H]2COCCN2)n1 ZINC001602000252 1168956552 /nfs/dbraw/zinc/95/65/52/1168956552.db2.gz MQLUEWLKGXOVLG-JTQLQIEISA-N -1 1 313.379 0.867 20 0 DCADMM O=C([O-])CCN(Cc1ccncc1)C(=O)C[C@@H]1COCCN1 ZINC001602008434 1168959628 /nfs/dbraw/zinc/95/96/28/1168959628.db2.gz OHSOQIJBKCGJPT-CYBMUJFWSA-N -1 1 307.350 0.263 20 0 DCADMM O=C([O-])CCNC(=O)CNC1(c2ccc3c(c2)OCCO3)CC1 ZINC001602021931 1168970731 /nfs/dbraw/zinc/97/07/31/1168970731.db2.gz PNQVYISZLHMGPQ-UHFFFAOYSA-N -1 1 320.345 0.627 20 0 DCADMM O=C([O-])CSCCC(=O)NCCCCN1CCOCC1 ZINC001602097986 1168993296 /nfs/dbraw/zinc/99/32/96/1168993296.db2.gz DGLNEXWBWHYKAB-UHFFFAOYSA-N -1 1 304.412 0.423 20 0 DCADMM O=C([O-])Cc1cccc(NC(=O)NCCN2CCC(O)CC2)n1 ZINC001602138321 1169001139 /nfs/dbraw/zinc/00/11/39/1169001139.db2.gz HFDLMWSRFQENTQ-UHFFFAOYSA-N -1 1 322.365 0.287 20 0 DCADMM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)O1 ZINC001602176345 1169016455 /nfs/dbraw/zinc/01/64/55/1169016455.db2.gz JXUKATJIEMOVGM-KXNHARMFSA-N -1 1 314.407 0.315 20 0 DCADMM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)O1 ZINC001602176345 1169016463 /nfs/dbraw/zinc/01/64/63/1169016463.db2.gz JXUKATJIEMOVGM-KXNHARMFSA-N -1 1 314.407 0.315 20 0 DCADMM O=C([O-])c1cc(S(=O)(=O)NC[C@@H](CO)CC2CC2)on1 ZINC001602293993 1169051201 /nfs/dbraw/zinc/05/12/01/1169051201.db2.gz NJOXZZRGBHCLEB-QMMMGPOBSA-N -1 1 304.324 0.060 20 0 DCADMM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2C[C@@H](O)c3ccccc32)on1 ZINC001602294647 1169051390 /nfs/dbraw/zinc/05/13/90/1169051390.db2.gz LTJBAFXHDQNAEN-MWLCHTKSSA-N -1 1 324.314 0.830 20 0 DCADMM O=C([O-])c1ccc(C(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)[nH]1 ZINC001602323634 1169059737 /nfs/dbraw/zinc/05/97/37/1169059737.db2.gz OHXOZEUJISWCID-VIFPVBQESA-N -1 1 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Cc1onc(CC(=O)N2CC3(C2)CCCOC3)c1-c1nn[n-]n1 ZINC001606178634 1170103854 /nfs/dbraw/zinc/10/38/54/1170103854.db2.gz PREHIHBMEBEMFV-UHFFFAOYSA-N -1 1 318.337 0.345 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)c1-c1nnn[n-]1 ZINC001606180031 1170105104 /nfs/dbraw/zinc/10/51/04/1170105104.db2.gz VWIHPQURVCWIKF-LKEWCRSYSA-N -1 1 306.326 0.388 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)c1-c1nn[n-]n1 ZINC001606180031 1170105107 /nfs/dbraw/zinc/10/51/07/1170105107.db2.gz VWIHPQURVCWIKF-LKEWCRSYSA-N -1 1 306.326 0.388 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCOC3(CCC3)C2)n1 ZINC001606222005 1170119682 /nfs/dbraw/zinc/11/96/82/1170119682.db2.gz WGEIYUNHCVYHPU-VIFPVBQESA-N -1 1 317.353 0.888 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCOC3(CCC3)C2)n1 ZINC001606222005 1170119688 /nfs/dbraw/zinc/11/96/88/1170119688.db2.gz WGEIYUNHCVYHPU-VIFPVBQESA-N -1 1 317.353 0.888 20 0 DCADMM CN1CCN(C(=O)c2csc3cncn32)C[C@@H](C(=O)[O-])C1 ZINC001606235648 1170130031 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FC1(F)[C@@H]2CCCO[C@@]21CNc1ccnc(-c2nn[n-]n2)c1 ZINC001606299428 1170153746 /nfs/dbraw/zinc/15/37/46/1170153746.db2.gz FJPVHDQMNGEYGY-PWSUYJOCSA-N -1 1 308.292 0.910 20 0 DCADMM COC(=O)[C@@H](O)C1CCN(Cc2cc(C(=O)[O-])c(C)n2C)CC1 ZINC001606340706 1170164273 /nfs/dbraw/zinc/16/42/73/1170164273.db2.gz AJAWQJOLAJIDLL-AWEZNQCLSA-N -1 1 324.377 0.778 20 0 DCADMM NC(=O)C1(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CCC1 ZINC001606404874 1170187401 /nfs/dbraw/zinc/18/74/01/1170187401.db2.gz SGJJSHBHNGUHGC-UHFFFAOYSA-N -1 1 322.275 0.283 20 0 DCADMM NC(=O)C1(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CCC1 ZINC001606404874 1170187405 /nfs/dbraw/zinc/18/74/05/1170187405.db2.gz SGJJSHBHNGUHGC-UHFFFAOYSA-N -1 1 322.275 0.283 20 0 DCADMM NC(=O)c1ccccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001606435511 1170200500 /nfs/dbraw/zinc/20/05/00/1170200500.db2.gz SXOZTKMIBVPYFH-UHFFFAOYSA-N -1 1 309.289 0.613 20 0 DCADMM NC(=O)c1ccccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001606435511 1170200507 /nfs/dbraw/zinc/20/05/07/1170200507.db2.gz SXOZTKMIBVPYFH-UHFFFAOYSA-N -1 1 309.289 0.613 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(OC(F)F)cn1 ZINC001606446708 1170205945 /nfs/dbraw/zinc/20/59/45/1170205945.db2.gz XBTWWFHXESGFFW-UHFFFAOYSA-N -1 1 322.235 0.330 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ncnc2ccsc21 ZINC001606446842 1170206015 /nfs/dbraw/zinc/20/60/15/1170206015.db2.gz ZORPCBNYTGTNMB-UHFFFAOYSA-N -1 1 313.306 0.339 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(OC(F)F)c1 ZINC001606446552 1170206554 /nfs/dbraw/zinc/20/65/54/1170206554.db2.gz UEPJSLXRUBRQFW-UHFFFAOYSA-N -1 1 321.247 0.935 20 0 DCADMM O=C(CC1CCC1)NCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001606498857 1170220838 /nfs/dbraw/zinc/22/08/38/1170220838.db2.gz PWKKHXCEIRXBET-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CC1CCC1)NCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001606498857 1170220839 /nfs/dbraw/zinc/22/08/39/1170220839.db2.gz PWKKHXCEIRXBET-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM COC(=O)c1cc(CN2CC[C@](O)(C(=O)[O-])C2)n2c1CCCC2 ZINC001606542365 1170232090 /nfs/dbraw/zinc/23/20/90/1170232090.db2.gz YMVHFDKOIPYDII-MRXNPFEDSA-N -1 1 322.361 0.632 20 0 DCADMM COC(=O)c1cc(CN2CCC([C@H](O)C(=O)[O-])CC2)n(C)c1C ZINC001606541772 1170232599 /nfs/dbraw/zinc/23/25/99/1170232599.db2.gz KLVAVRPEBCHGKX-AWEZNQCLSA-N -1 1 324.377 0.778 20 0 DCADMM O=C(CO[C@@H]1CCOC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606567241 1170234969 /nfs/dbraw/zinc/23/49/69/1170234969.db2.gz QHEAWLDZCKMJCE-SECBINFHSA-N -1 1 305.294 0.316 20 0 DCADMM O=C(COc1cnc(-c2nn[n-]n2)nc1)OCC(F)(F)F ZINC001606580609 1170237441 /nfs/dbraw/zinc/23/74/41/1170237441.db2.gz VMNUICFSVWIMTN-UHFFFAOYSA-N -1 1 304.188 0.141 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)C1(c2ccccc2)CC1 ZINC001606620921 1170245372 /nfs/dbraw/zinc/24/53/72/1170245372.db2.gz VHWNJGXLRJEMIO-UHFFFAOYSA-N -1 1 322.328 0.724 20 0 DCADMM CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cnc3c(c2)c(C)nn3C)C1 ZINC001606705933 1170268989 /nfs/dbraw/zinc/26/89/89/1170268989.db2.gz HRRJZVVLFGSQOT-HNNXBMFYSA-N -1 1 304.350 0.952 20 0 DCADMM O=C(NCC[C@@H](O)C(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001606752823 1170279280 /nfs/dbraw/zinc/27/92/80/1170279280.db2.gz NSFBNQOPIKWKEF-MRVPVSSYSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(NCC[C@@H](O)C(F)(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001606752823 1170279282 /nfs/dbraw/zinc/27/92/82/1170279282.db2.gz NSFBNQOPIKWKEF-MRVPVSSYSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)c1ccoc1 ZINC001606786699 1170289158 /nfs/dbraw/zinc/28/91/58/1170289158.db2.gz JFQPQWPTHHKUJB-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)c1ccoc1 ZINC001606786699 1170289164 /nfs/dbraw/zinc/28/91/64/1170289164.db2.gz JFQPQWPTHHKUJB-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCc1ccccc1O)c1cccc(-c2nnn[n-]2)n1 ZINC001606796927 1170293220 /nfs/dbraw/zinc/29/32/20/1170293220.db2.gz LOSWKGJGHZTQOD-UHFFFAOYSA-N -1 1 310.317 0.940 20 0 DCADMM O=C(NCCc1ccccc1O)c1cccc(-c2nn[n-]n2)n1 ZINC001606796927 1170293225 /nfs/dbraw/zinc/29/32/25/1170293225.db2.gz LOSWKGJGHZTQOD-UHFFFAOYSA-N -1 1 310.317 0.940 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1cc(F)ccc1F ZINC001606802709 1170294454 /nfs/dbraw/zinc/29/44/54/1170294454.db2.gz PGKXKXXNUPVZHY-UHFFFAOYSA-N -1 1 320.263 0.166 20 0 DCADMM COC[C@]1(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CNCCO1 ZINC001606824579 1170303224 /nfs/dbraw/zinc/30/32/24/1170303224.db2.gz QGZZAEWJSYMCRX-HNNXBMFYSA-N -1 1 308.334 0.637 20 0 DCADMM O=C(NCc1nnc2n1CCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001606848371 1170313264 /nfs/dbraw/zinc/31/32/64/1170313264.db2.gz YIZDBVJQFIXQLS-UHFFFAOYSA-N -1 1 314.309 0.318 20 0 DCADMM O=C(NCc1nnc2n1CCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001606848371 1170313269 /nfs/dbraw/zinc/31/32/69/1170313269.db2.gz YIZDBVJQFIXQLS-UHFFFAOYSA-N -1 1 314.309 0.318 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1nccnc1Cl ZINC001606847045 1170313320 /nfs/dbraw/zinc/31/33/20/1170313320.db2.gz GFAFSKMQIFMGMH-UHFFFAOYSA-N -1 1 322.741 0.697 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1nccnc1Cl ZINC001606847045 1170313324 /nfs/dbraw/zinc/31/33/24/1170313324.db2.gz GFAFSKMQIFMGMH-UHFFFAOYSA-N -1 1 322.741 0.697 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CC(c2ccccc2)=NO1 ZINC001606892574 1170324842 /nfs/dbraw/zinc/32/48/42/1170324842.db2.gz PLNDJHSZYRTGDW-LLVKDONJSA-N -1 1 324.304 0.722 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CC(c2ccccc2)=NO1 ZINC001606892574 1170324847 /nfs/dbraw/zinc/32/48/47/1170324847.db2.gz PLNDJHSZYRTGDW-LLVKDONJSA-N -1 1 324.304 0.722 20 0 DCADMM COCCOCCc1ncc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)[nH]1 ZINC001606906289 1170328400 /nfs/dbraw/zinc/32/84/00/1170328400.db2.gz AZCSLWOOSMVRRB-IWIIMEHWSA-N -1 1 323.349 0.018 20 0 DCADMM O=C(Nc1ccc(-n2cncn2)nc1)c1coc(-c2nnn[n-]2)c1 ZINC001606915545 1170330050 /nfs/dbraw/zinc/33/00/50/1170330050.db2.gz RHCOQBJBACIOHZ-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1ccc(-n2cncn2)nc1)c1coc(-c2nn[n-]n2)c1 ZINC001606915545 1170330057 /nfs/dbraw/zinc/33/00/57/1170330057.db2.gz RHCOQBJBACIOHZ-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C([O-])C1([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CCOCC1 ZINC001606957370 1170338327 /nfs/dbraw/zinc/33/83/27/1170338327.db2.gz ATXZPZNOHXSBAN-UHFFFAOYSA-N -1 1 321.312 0.729 20 0 DCADMM O=C(OC[C@@H]1C[C@]12CCOC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001606964746 1170339684 /nfs/dbraw/zinc/33/96/84/1170339684.db2.gz ABBFXSNRSXPKBT-HZMBPMFUSA-N -1 1 301.306 0.845 20 0 DCADMM O=C(OC[C@@H]1C[C@]12CCOC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001606964746 1170339690 /nfs/dbraw/zinc/33/96/90/1170339690.db2.gz ABBFXSNRSXPKBT-HZMBPMFUSA-N -1 1 301.306 0.845 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@@H]2O1)c1ccsc1-c1nnn[n-]1 ZINC001606964916 1170340042 /nfs/dbraw/zinc/34/00/42/1170340042.db2.gz DBZOHPQTGQQOOP-NRPADANISA-N -1 1 322.346 0.889 20 0 DCADMM O=C(OC[C@@H]1C[C@H]2COC[C@@H]2O1)c1ccsc1-c1nn[n-]n1 ZINC001606964916 1170340051 /nfs/dbraw/zinc/34/00/51/1170340051.db2.gz DBZOHPQTGQQOOP-NRPADANISA-N -1 1 322.346 0.889 20 0 DCADMM O=C(OCCNc1ncccn1)c1ccc(-c2nn[n-]n2)o1 ZINC001606969450 1170342663 /nfs/dbraw/zinc/34/26/63/1170342663.db2.gz DRPSILHSKYYCFX-UHFFFAOYSA-N -1 1 301.266 0.519 20 0 DCADMM COCc1nn(C)cc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001606980904 1170345410 /nfs/dbraw/zinc/34/54/10/1170345410.db2.gz VFIFOEAOHJYWIR-NSHDSACASA-N -1 1 324.381 0.188 20 0 DCADMM COCc1nn(C)cc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001606980902 1170345921 /nfs/dbraw/zinc/34/59/21/1170345921.db2.gz VFIFOEAOHJYWIR-LLVKDONJSA-N -1 1 324.381 0.188 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCO[C@H](C2CCC2)C1 ZINC001607022132 1170357512 /nfs/dbraw/zinc/35/75/12/1170357512.db2.gz OGKUEMVARVSLFO-ZDUSSCGKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCO[C@H](C2CCC2)C1 ZINC001607022132 1170357519 /nfs/dbraw/zinc/35/75/19/1170357519.db2.gz OGKUEMVARVSLFO-ZDUSSCGKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCOC[C@H]1CC(F)F ZINC001607022005 1170359330 /nfs/dbraw/zinc/35/93/30/1170359330.db2.gz KHLUTJAOIIFPNH-MRVPVSSYSA-N -1 1 324.291 0.758 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCOC[C@H]1CC(F)F ZINC001607022005 1170359335 /nfs/dbraw/zinc/35/93/35/1170359335.db2.gz KHLUTJAOIIFPNH-MRVPVSSYSA-N -1 1 324.291 0.758 20 0 DCADMM O=C1C[C@H](Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)CN1 ZINC001607039040 1170362250 /nfs/dbraw/zinc/36/22/50/1170362250.db2.gz FJBINDOCOSDLPK-VIFPVBQESA-N -1 1 314.349 0.043 20 0 DCADMM O=C1[C@H](Nc2cc(-c3nnn[n-]3)ncn2)CCN1c1ccccc1 ZINC001607036755 1170363538 /nfs/dbraw/zinc/36/35/38/1170363538.db2.gz PTGIVVSYLBUUEZ-LLVKDONJSA-N -1 1 322.332 0.874 20 0 DCADMM O=C1[C@H](Nc2cc(-c3nn[n-]n3)ncn2)CCN1c1ccccc1 ZINC001607036755 1170363544 /nfs/dbraw/zinc/36/35/44/1170363544.db2.gz PTGIVVSYLBUUEZ-LLVKDONJSA-N -1 1 322.332 0.874 20 0 DCADMM O=C(OC[C@@H]1CCC(=O)NC1)c1ccc(-c2nnn[n-]2)s1 ZINC001607044314 1170367490 /nfs/dbraw/zinc/36/74/90/1170367490.db2.gz QARZBNOCJNGGOA-SSDOTTSWSA-N -1 1 307.335 0.611 20 0 DCADMM O=C(OC[C@@H]1CCC(=O)NC1)c1ccc(-c2nn[n-]n2)s1 ZINC001607044314 1170367493 /nfs/dbraw/zinc/36/74/93/1170367493.db2.gz QARZBNOCJNGGOA-SSDOTTSWSA-N -1 1 307.335 0.611 20 0 DCADMM O=C1N[C@H](CCF)C(=O)N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001607049087 1170370982 /nfs/dbraw/zinc/37/09/82/1170370982.db2.gz ZXRSSGGBPAOTQP-RXMQYKEDSA-N -1 1 311.302 0.103 20 0 DCADMM O=C1N[C@H](CCF)C(=O)N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001607049087 1170370991 /nfs/dbraw/zinc/37/09/91/1170370991.db2.gz ZXRSSGGBPAOTQP-RXMQYKEDSA-N -1 1 311.302 0.103 20 0 DCADMM O=S(=O)(CC1(F)CC1)Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001607057432 1170374652 /nfs/dbraw/zinc/37/46/52/1170374652.db2.gz HSKSCUSUHKESMM-UHFFFAOYSA-N -1 1 317.277 0.612 20 0 DCADMM O=S(=O)(NCCCCO)c1cccc(F)c1-c1nnn[n-]1 ZINC001607065608 1170375632 /nfs/dbraw/zinc/37/56/32/1170375632.db2.gz CJSJHBQOIOTZOL-UHFFFAOYSA-N -1 1 315.330 0.057 20 0 DCADMM O=S(=O)(NCCCCO)c1cccc(F)c1-c1nn[n-]n1 ZINC001607065608 1170375642 /nfs/dbraw/zinc/37/56/42/1170375642.db2.gz CJSJHBQOIOTZOL-UHFFFAOYSA-N -1 1 315.330 0.057 20 0 DCADMM O=S1(=O)CCC[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001607074446 1170379849 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DCADMM O=C(NC[C@H](O)CNc1ncc(Cl)cn1)c1ncccc1[O-] ZINC001105802982 750486879 /nfs/dbraw/zinc/48/68/79/750486879.db2.gz UVGROZIOWVCKKR-VIFPVBQESA-N -1 1 323.740 0.433 20 0 DCADMM COC[C@H](C)N1CCO[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001107890646 752488164 /nfs/dbraw/zinc/48/81/64/752488164.db2.gz RRFJCVIPFOBSTK-BLLLJJGKSA-N -1 1 323.393 0.643 20 0 DCADMM CCC(=O)NC[C@@H]1CCC(C)(C)CN1Cc1nc(=O)n(C)[n-]1 ZINC001098844712 752734219 /nfs/dbraw/zinc/73/42/19/752734219.db2.gz KQKCIBOEFNVOSY-NSHDSACASA-N -1 1 309.414 0.625 20 0 DCADMM C[C@@H](CCNC(=O)Cc1cnoc1)NC(=O)c1ncccc1[O-] ZINC001077946201 752896187 /nfs/dbraw/zinc/89/61/87/752896187.db2.gz RDXWLZSIJWBGQW-JTQLQIEISA-N -1 1 318.333 0.643 20 0 DCADMM O=C(c1ccncc1F)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044971672 752969193 /nfs/dbraw/zinc/96/91/93/752969193.db2.gz XSGHUKPIUAGTNS-VIFPVBQESA-N -1 1 320.328 0.439 20 0 DCADMM O=C([C@@H]1CCC1(F)F)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045086100 753041865 /nfs/dbraw/zinc/04/18/65/753041865.db2.gz 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768035811 /nfs/dbraw/zinc/03/58/11/768035811.db2.gz HCKVEOJDIJNXFU-UHFFFAOYSA-N -1 1 313.720 0.822 20 0 DCADMM C[C@@H]1CC[C@H](NC(=O)C2CCC2)CN1Cc1nc(=O)n(C)[n-]1 ZINC001071302416 761769714 /nfs/dbraw/zinc/76/97/14/761769714.db2.gz IOIBQYVSVVYFFC-PWSUYJOCSA-N -1 1 307.398 0.378 20 0 DCADMM CC/C=C(/C)C(=O)NC1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]12 ZINC001113971776 762726186 /nfs/dbraw/zinc/72/61/86/762726186.db2.gz PGKYFHSMMNZYGW-DLHYOHTCSA-N -1 1 305.382 0.011 20 0 DCADMM CC1(C)[C@@H]2CC[C@@]1(C(=O)N1CC[C@H](c3nn[n-]n3)C1)C(=O)C2 ZINC001123960830 768086254 /nfs/dbraw/zinc/08/62/54/768086254.db2.gz GVIJRVWNZILNQJ-WMFXKJRFSA-N -1 1 303.366 0.911 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-]CC(O)(C2CC2)C2CC2)c1Cl ZINC000689674056 762875098 /nfs/dbraw/zinc/87/50/98/762875098.db2.gz KAFHXWZJFVJLQX-UHFFFAOYSA-N -1 1 319.814 0.903 20 0 DCADMM COc1cccc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)n1 ZINC001129520922 762956808 /nfs/dbraw/zinc/95/68/08/762956808.db2.gz UOFZERPUXTUCEN-UHFFFAOYSA-N -1 1 300.278 0.382 20 0 DCADMM CC(C)(C)c1cc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001130732549 763463773 /nfs/dbraw/zinc/46/37/73/763463773.db2.gz UYVIOILSAGPFSU-UHFFFAOYSA-N -1 1 307.358 0.051 20 0 DCADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)c1cccc2cccnc21 ZINC001130910647 763568962 /nfs/dbraw/zinc/56/89/62/763568962.db2.gz OMBUKIUHVXAYAQ-UHFFFAOYSA-N -1 1 312.333 0.578 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cc4ncccn4n3)nc2n1 ZINC001131556116 763866171 /nfs/dbraw/zinc/86/61/71/763866171.db2.gz MOBNNQMOBCJVIV-UHFFFAOYSA-N -1 1 324.304 0.275 20 0 DCADMM CC(C)CC(=O)N[C@@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC001131751448 763987280 /nfs/dbraw/zinc/98/72/80/763987280.db2.gz JPVCNBWWOQGDDI-NWDGAFQWSA-N -1 1 309.414 0.624 20 0 DCADMM CCNC(=O)CN1C[C@H](NC(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001131971315 764151364 /nfs/dbraw/zinc/15/13/64/764151364.db2.gz GKDDRPWNCUKASQ-NWDGAFQWSA-N -1 1 320.393 0.506 20 0 DCADMM CO[C@H](C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)C1CC1 ZINC001101932130 764433383 /nfs/dbraw/zinc/43/33/83/764433383.db2.gz GILCROHRDMGATL-XWIASGKRSA-N -1 1 323.397 0.119 20 0 DCADMM Cn1ncc2c1ncnc2NCCNC(=O)c1ncccc1[O-] ZINC000104918125 764494092 /nfs/dbraw/zinc/49/40/92/764494092.db2.gz VWOPHRVEUWERTG-UHFFFAOYSA-N -1 1 313.321 0.306 20 0 DCADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC001102482199 764661523 /nfs/dbraw/zinc/66/15/23/764661523.db2.gz KLAUCIXITQUFNW-HFAKWTLXSA-N -1 1 323.397 0.121 20 0 DCADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)c1nc(Cl)cs1 ZINC001132872418 764703363 /nfs/dbraw/zinc/70/33/63/764703363.db2.gz KQBRDAVEQYMVOJ-UHFFFAOYSA-N -1 1 302.747 0.140 20 0 DCADMM CCOCC(=O)N1C[C@@H](C)[C@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001103840922 765145788 /nfs/dbraw/zinc/14/57/88/765145788.db2.gz FCEYXINWQCIHCM-GHMZBOCLSA-N -1 1 311.386 0.121 20 0 DCADMM O=C(Cc1cccc(F)c1F)NCCNCc1n[nH]c(=O)[n-]1 ZINC001134399961 765505873 /nfs/dbraw/zinc/50/58/73/765505873.db2.gz HXPSZTICRAZCLG-UHFFFAOYSA-N -1 1 311.292 0.237 20 0 DCADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)c1noc2c1CCCCC2 ZINC001134526104 765553584 /nfs/dbraw/zinc/55/35/84/765553584.db2.gz CXRGYKYPLDROCT-UHFFFAOYSA-N -1 1 320.353 0.287 20 0 DCADMM COCc1ccccc1CC(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001135150882 765813524 /nfs/dbraw/zinc/81/35/24/765813524.db2.gz VYCCTAKQBWZGKW-UHFFFAOYSA-N -1 1 319.365 0.105 20 0 DCADMM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCCCF ZINC001116312468 765859066 /nfs/dbraw/zinc/85/90/66/765859066.db2.gz SEWXQLRMWOMHQO-UHFFFAOYSA-N -1 1 305.313 0.966 20 0 DCADMM O=C(Cn1ncn2nccc2c1=O)Nc1ccc([O-])c(Cl)c1 ZINC001116516560 765879142 /nfs/dbraw/zinc/87/91/42/765879142.db2.gz AHMGDHSMTVRPKU-UHFFFAOYSA-N -1 1 319.708 0.889 20 0 DCADMM CC(C)(C)c1nc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)cs1 ZINC001135318329 765879322 /nfs/dbraw/zinc/87/93/22/765879322.db2.gz KFZVXPCUWAPPOV-UHFFFAOYSA-N -1 1 324.410 0.784 20 0 DCADMM CC[C@H](C(=O)NCCNCc1n[nH]c(=O)[n-]1)c1c(C)noc1C ZINC001135328140 765894003 /nfs/dbraw/zinc/89/40/03/765894003.db2.gz CZCRMBUZMKACET-JTQLQIEISA-N -1 1 322.369 0.515 20 0 DCADMM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccn(-c2ccncc2)n1 ZINC001116792442 765911735 /nfs/dbraw/zinc/91/17/35/765911735.db2.gz RTSYYGFTIVHZPF-UHFFFAOYSA-N -1 1 313.321 0.454 20 0 DCADMM Cc1cc(Cl)cc(C)c1NC(=O)C(=O)NN1CC(=O)[N-]C1=O ZINC001117437883 766060326 /nfs/dbraw/zinc/06/03/26/766060326.db2.gz AWLUEQQXQSKFTQ-UHFFFAOYSA-N -1 1 324.724 0.478 20 0 DCADMM CC(=O)NC[C@H]1CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000108857147 766101046 /nfs/dbraw/zinc/10/10/46/766101046.db2.gz HJGYYUJBCDJRLE-GFCCVEGCSA-N -1 1 303.366 0.371 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001117774390 766140744 /nfs/dbraw/zinc/14/07/44/766140744.db2.gz QCWAQXUTJCJMCN-GXSJLCMTSA-N -1 1 322.390 0.799 20 0 DCADMM O=C([O-])C1(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC=CC1 ZINC001118510919 766340197 /nfs/dbraw/zinc/34/01/97/766340197.db2.gz GLVREQLHJFVZPJ-ZDUSSCGKSA-N -1 1 308.378 0.588 20 0 DCADMM Cc1c(F)ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1N ZINC001136656705 766415876 /nfs/dbraw/zinc/41/58/76/766415876.db2.gz OSSMMBGEYMNIAN-SNVBAGLBSA-N -1 1 306.301 0.443 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C=CC(=O)N(C)C ZINC001136754481 766494290 /nfs/dbraw/zinc/49/42/90/766494290.db2.gz TXAUEFLEYPDYKE-WAYWQWQTSA-N -1 1 317.349 0.312 20 0 DCADMM CSc1nc(CNC(=O)[C@]2(C)CCN(C)C2=O)cc(=O)[n-]1 ZINC001119591218 766743538 /nfs/dbraw/zinc/74/35/38/766743538.db2.gz KWKYRMMSACCZIY-ZDUSSCGKSA-N -1 1 310.379 0.389 20 0 DCADMM C[C@@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)[C@@H]1CN(C)CCN1C ZINC001119650130 766760969 /nfs/dbraw/zinc/76/09/69/766760969.db2.gz NDEBOTNNTWNFII-OLZOCXBDSA-N -1 1 323.437 0.772 20 0 DCADMM Cc1ccccc1[C@H](O)C(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001144543135 766967553 /nfs/dbraw/zinc/96/75/53/766967553.db2.gz NXBAKHSIRSSIRW-VIFPVBQESA-N -1 1 315.289 0.696 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2cc(F)c([O-])cc2F)CCN1C ZINC001144659313 767005161 /nfs/dbraw/zinc/00/51/61/767005161.db2.gz CPCQXJPYKMLFCK-LBPRGKRZSA-N -1 1 300.305 0.959 20 0 DCADMM COc1cccc([C@@H](C)NC(=O)[C@@]2(C(=O)[O-])CNCCO2)c1 ZINC001120546180 767073483 /nfs/dbraw/zinc/07/34/83/767073483.db2.gz NJPONMHEIAFECM-MEBBXXQBSA-N -1 1 308.334 0.316 20 0 DCADMM Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCN(C)C(=O)C1 ZINC001121338473 767517571 /nfs/dbraw/zinc/51/75/71/767517571.db2.gz TWDIEJOILVETET-UHFFFAOYSA-N -1 1 322.756 0.515 20 0 DCADMM CS(=O)(=O)CCOCCNC(=O)c1cccc([O-])c1F ZINC001147083927 767627796 /nfs/dbraw/zinc/62/77/96/767627796.db2.gz SAEQVYOLMXOXER-UHFFFAOYSA-N -1 1 305.327 0.322 20 0 DCADMM CC(C)OCc1cccc(NC(=O)[C@@]2(C(=O)[O-])CNCCO2)c1 ZINC001121937706 767675359 /nfs/dbraw/zinc/67/53/59/767675359.db2.gz HNIMJOVPGAPQQP-MRXNPFEDSA-N -1 1 322.361 0.993 20 0 DCADMM CSCc1cccc(NC(=O)[C@]2(C(=O)[O-])CNCCO2)c1 ZINC001121949759 767679234 /nfs/dbraw/zinc/67/92/34/767679234.db2.gz CXBYSKQATSAAIN-AWEZNQCLSA-N -1 1 310.375 0.931 20 0 DCADMM O=C([O-])[C@@]1(C(=O)N[C@@H]2CCCc3sccc32)CNCCO1 ZINC001121951188 767680301 /nfs/dbraw/zinc/68/03/01/767680301.db2.gz 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/nfs/dbraw/zinc/42/31/70/768423170.db2.gz YHWDJALYZRYUPX-ZYHUDNBSSA-N -1 1 319.409 0.885 20 0 DCADMM CCc1ccc(NC(=O)Nc2c(O)[nH]c(=O)[n-]c2=S)cc1 ZINC001202946308 768479471 /nfs/dbraw/zinc/47/94/71/768479471.db2.gz PTCJNOXYFZOGEK-SECBINFHSA-N -1 1 306.347 0.906 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H]1CCCC1(F)F ZINC001140994184 768559324 /nfs/dbraw/zinc/55/93/24/768559324.db2.gz OFTAASQSCMNFCT-SECBINFHSA-N -1 1 301.293 0.478 20 0 DCADMM O=C(CCc1cnccc1C(F)(F)F)NCc1nn[n-]n1 ZINC001142340690 768640440 /nfs/dbraw/zinc/64/04/40/768640440.db2.gz SFDQAPDNFGGALT-UHFFFAOYSA-N -1 1 300.244 0.863 20 0 DCADMM CCOC(=O)CN(CC(N)=O)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001142366280 768642089 /nfs/dbraw/zinc/64/20/89/768642089.db2.gz FGVIFBTYAJUQOZ-UHFFFAOYSA-N -1 1 322.317 0.004 20 0 DCADMM O=C(NCCNc1ccc2nccnc2n1)c1ncccc1[O-] ZINC001093562991 768651436 /nfs/dbraw/zinc/65/14/36/768651436.db2.gz QBFKEFPBBIDAAR-UHFFFAOYSA-N -1 1 310.317 0.341 20 0 DCADMM CNC(=O)[C@H]1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC001142621176 768653556 /nfs/dbraw/zinc/65/35/56/768653556.db2.gz ZAUIKBBHBBRARB-QMMMGPOBSA-N -1 1 305.363 0.226 20 0 DCADMM Cn1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1C=O ZINC001149499976 768768424 /nfs/dbraw/zinc/76/84/24/768768424.db2.gz DBESMVQKUREDRW-ZDUSSCGKSA-N -1 1 310.317 0.870 20 0 DCADMM Cc1cc(C)n2nc(C(=O)Nc3[n-]c(=O)nc4nc[nH]c43)cc2n1 ZINC001150595106 769134598 /nfs/dbraw/zinc/13/45/98/769134598.db2.gz MFTLZCSIVHKNOX-UHFFFAOYSA-N -1 1 324.304 0.970 20 0 DCADMM CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)CCC1CCC1 ZINC001233512519 769380520 /nfs/dbraw/zinc/38/05/20/769380520.db2.gz RXLJUEFEOVUHQE-CYBMUJFWSA-N -1 1 321.425 0.721 20 0 DCADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc3nncn3c2)n1 ZINC001151661785 769389659 /nfs/dbraw/zinc/38/96/59/769389659.db2.gz FDIPKZWPUZVGFQ-UHFFFAOYSA-N -1 1 300.278 0.881 20 0 DCADMM Cn1ccc2c1nccc2C(=O)Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001151783315 769419737 /nfs/dbraw/zinc/41/97/37/769419737.db2.gz OBKORNCKGKSSHK-UHFFFAOYSA-N -1 1 300.278 0.609 20 0 DCADMM 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CCOC[C@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001596946356 986095069 /nfs/dbraw/zinc/09/50/69/986095069.db2.gz KXQDXODFPSBITP-RYUDHWBXSA-N -1 1 301.387 0.602 20 0 DCADMM CC(=O)c1[nH]c(CCN2CCc3[nH]nc(C(=O)[O-])c3C2)nc1C ZINC001589322617 986134631 /nfs/dbraw/zinc/13/46/31/986134631.db2.gz IUIAOWHRXLBJTL-UHFFFAOYSA-N -1 1 317.349 0.943 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H](C)CN1 ZINC001594554138 986271696 /nfs/dbraw/zinc/27/16/96/986271696.db2.gz LAYKPXXHQAFMGZ-BDAKNGLRSA-N -1 1 316.354 0.895 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)c2ccnn2C)CC1 ZINC001589360008 986365830 /nfs/dbraw/zinc/36/58/30/986365830.db2.gz GTUHWOSXYBYOEQ-VXGBXAGGSA-N -1 1 308.382 0.531 20 0 DCADMM C[C@H]1CNCCN1C(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001594584487 986461935 /nfs/dbraw/zinc/46/19/35/986461935.db2.gz HKLJSSUHZJRIEG-QMMMGPOBSA-N -1 1 309.297 0.283 20 0 DCADMM C[C@@H]1CN2CCN1C[C@@H]2C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001594585246 986475405 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O=C(CCCF)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC001386499330 987182434 /nfs/dbraw/zinc/18/24/34/987182434.db2.gz RIJRHKGBHNKPLN-IWIIMEHWSA-N -1 1 307.325 0.724 20 0 DCADMM Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)CN2CCCC2)c1[O-] ZINC001386664318 987284126 /nfs/dbraw/zinc/28/41/26/987284126.db2.gz FDUVCPVVCGAFQC-SNVBAGLBSA-N -1 1 323.397 0.144 20 0 DCADMM CO[C@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387614050 987942147 /nfs/dbraw/zinc/94/21/47/987942147.db2.gz PJESZLFQUBQICF-VXGBXAGGSA-N -1 1 321.377 0.743 20 0 DCADMM CC[C@H](CNC(=O)CN1CCCC1)NC(=O)c1[nH]nc(C)c1[O-] ZINC001388082974 988024163 /nfs/dbraw/zinc/02/41/63/988024163.db2.gz YXXATNPKXKPEKK-LLVKDONJSA-N -1 1 323.397 0.144 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)C[C@H]1CCCO1 ZINC001387698275 988039955 /nfs/dbraw/zinc/03/99/55/988039955.db2.gz ZPKHWVPAYUYTPE-LLVKDONJSA-N -1 1 307.350 0.545 20 0 DCADMM CSC[C@H](C)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001387711779 988064893 /nfs/dbraw/zinc/06/48/93/988064893.db2.gz HMUXLRPVMKWKAF-VIFPVBQESA-N -1 1 309.391 0.727 20 0 DCADMM CSCCNC(=S)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC001599801291 988181083 /nfs/dbraw/zinc/18/10/83/988181083.db2.gz XPONAJHTXFQCGM-JTQLQIEISA-N -1 1 305.469 0.705 20 0 DCADMM CSCCNC(=S)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001599801291 988181089 /nfs/dbraw/zinc/18/10/89/988181089.db2.gz XPONAJHTXFQCGM-JTQLQIEISA-N -1 1 305.469 0.705 20 0 DCADMM CCc1nc([C@@H](C)NS(=O)(=O)CC2(C(=O)[O-])CC2)n[nH]1 ZINC001597656589 988711809 /nfs/dbraw/zinc/71/18/09/988711809.db2.gz UAIHMLIZAAKVOS-SSDOTTSWSA-N -1 1 302.356 0.212 20 0 DCADMM C[C@@H](O)[C@H](NCc1cc(Br)cnc1F)C(=O)[O-] ZINC001599845152 988918735 /nfs/dbraw/zinc/91/87/35/988918735.db2.gz MNAICDHYYGXHIO-XRGYYRRGSA-N -1 1 307.119 0.907 20 0 DCADMM CN(CCN(C)C(=O)c1ncccc1[O-])C(=O)c1cccn1C ZINC001532890036 1015451312 /nfs/dbraw/zinc/45/13/12/1015451312.db2.gz LZCDIUSKAKLGAE-UHFFFAOYSA-N -1 1 316.361 0.970 20 0 DCADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN[C@H](C)[C@H]1C ZINC001597778359 989256827 /nfs/dbraw/zinc/25/68/27/989256827.db2.gz BKNQQDQBDJDRGX-RKDXNWHRSA-N -1 1 316.379 0.911 20 0 DCADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN[C@@H](C)[C@@H]1C ZINC001597778357 989257202 /nfs/dbraw/zinc/25/72/02/989257202.db2.gz BKNQQDQBDJDRGX-IUCAKERBSA-N -1 1 316.379 0.911 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C(=O)[O-] ZINC001599867612 989296015 /nfs/dbraw/zinc/29/60/15/989296015.db2.gz DRSXKBBEOUUZPB-BZPMIXESSA-N -1 1 316.423 0.455 20 0 DCADMM Cc1ccn(C)c1C(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001389580279 989403138 /nfs/dbraw/zinc/40/31/38/989403138.db2.gz BXOGBLIMIUBNLZ-LLVKDONJSA-N -1 1 318.381 0.455 20 0 DCADMM CO[C@@H](C)CC(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001527524303 1015489461 /nfs/dbraw/zinc/48/94/61/1015489461.db2.gz HZAJJBNFGURXFG-MNOVXSKESA-N -1 1 309.366 0.837 20 0 DCADMM C[C@@H](CNC(=O)C1(c2ccccn2)CC1)NCc1n[nH]c(=O)[n-]1 ZINC001390386425 990046174 /nfs/dbraw/zinc/04/61/74/990046174.db2.gz QFEYJJFOLASMED-JTQLQIEISA-N -1 1 316.365 0.231 20 0 DCADMM C[C@H](CNC(=O)C[C@H](C)c1ccco1)NCc1n[nH]c(=O)[n-]1 ZINC001390503335 990156393 /nfs/dbraw/zinc/15/63/93/990156393.db2.gz DUROAUNDVYRFMP-VHSXEESVSA-N -1 1 307.354 0.891 20 0 DCADMM O=C(NC[C@@H](O)Cn1ccnn1)c1ccc2ccccc2c1[O-] ZINC001451060243 1015565123 /nfs/dbraw/zinc/56/51/23/1015565123.db2.gz FQPPWWFQCGUPBH-GFCCVEGCSA-N -1 1 312.329 0.928 20 0 DCADMM CC[C@H](CC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1)C(C)C ZINC001391529690 990919782 /nfs/dbraw/zinc/91/97/82/990919782.db2.gz YGJDHLQWQQSYPY-CYBMUJFWSA-N -1 1 323.441 0.729 20 0 DCADMM CN(C)S(=O)(=O)CCN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001598261544 991090831 /nfs/dbraw/zinc/09/08/31/991090831.db2.gz FONUELFHVYOPEG-ZDUSSCGKSA-N -1 1 315.395 0.253 20 0 DCADMM CC[C@H](CNC(=O)CC1CC(F)(F)C1)NCc1n[nH]c(=O)[n-]1 ZINC001391711311 991123132 /nfs/dbraw/zinc/12/31/32/991123132.db2.gz ZRDJCHOUFQPKPH-SECBINFHSA-N -1 1 317.340 0.930 20 0 DCADMM CN(C)S(=O)(=O)n1ccnc1CNCCC(C)(C)C(=O)[O-] ZINC001598282761 991167048 /nfs/dbraw/zinc/16/70/48/991167048.db2.gz OAIKKWIBRQAXAQ-UHFFFAOYSA-N -1 1 318.399 0.128 20 0 DCADMM CO[C@H](C(=O)N[C@@](C)(CNCc1n[nH]c(=O)[n-]1)C1CC1)C1CC1 ZINC001391792486 991186649 /nfs/dbraw/zinc/18/66/49/991186649.db2.gz ZPQNSQSTKFDGTR-WFASDCNBSA-N -1 1 323.397 0.310 20 0 DCADMM CN(C)c1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC001598330217 991368757 /nfs/dbraw/zinc/36/87/57/991368757.db2.gz NGUWYIVMBSMMTI-UHFFFAOYSA-N -1 1 324.362 0.835 20 0 DCADMM CC(C)SCC(=O)N(C)[C@@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001392050496 991436274 /nfs/dbraw/zinc/43/62/74/991436274.db2.gz WCSDEMHRDKKBIM-VIFPVBQESA-N -1 1 301.416 0.588 20 0 DCADMM CC[C@@H](SC)C(=O)N(C)[C@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001392065044 991455289 /nfs/dbraw/zinc/45/52/89/991455289.db2.gz MSYLVRPIVWTLTG-RKDXNWHRSA-N -1 1 301.416 0.588 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)[C@@H](C)c1ccco1 ZINC001392098324 991490755 /nfs/dbraw/zinc/49/07/55/991490755.db2.gz GMJTXDDTHAQWNU-ZJUUUORDSA-N -1 1 307.354 0.844 20 0 DCADMM CC(C)C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1CCOC1 ZINC001392144097 991545059 /nfs/dbraw/zinc/54/50/59/991545059.db2.gz DZGIKMVTANUETR-MNOVXSKESA-N -1 1 311.386 0.167 20 0 DCADMM CN(CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)[C@H]1CCSC1 ZINC001598391857 991635430 /nfs/dbraw/zinc/63/54/30/991635430.db2.gz SEWAPVOLXWABSY-NRPADANISA-N -1 1 308.350 0.506 20 0 DCADMM CC(C)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])co2)CCN1 ZINC001591096162 991685765 /nfs/dbraw/zinc/68/57/65/991685765.db2.gz AUGSQODKLNBINH-SNVBAGLBSA-N -1 1 302.352 0.596 20 0 DCADMM CN(CC(C)(C)CNCc1cnon1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001598423396 991759721 /nfs/dbraw/zinc/75/97/21/991759721.db2.gz CYXGKMMVGAGSSE-GHMZBOCLSA-N -1 1 310.354 0.365 20 0 DCADMM Cc1nc(C(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)sc1C ZINC001392539225 992066404 /nfs/dbraw/zinc/06/64/04/992066404.db2.gz TXGBMBZNALGPPB-ZCFIWIBFSA-N -1 1 310.383 0.492 20 0 DCADMM COc1cccc(C(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)c1F ZINC001392602088 992147007 /nfs/dbraw/zinc/14/70/07/992147007.db2.gz WSEXVYXCAGUTAB-QMMMGPOBSA-N -1 1 323.328 0.566 20 0 DCADMM C[N@H+](CCNC(=O)Cc1ccc([O-])c(Cl)c1)CC(=O)[O-] ZINC001598490173 992277132 /nfs/dbraw/zinc/27/71/32/992277132.db2.gz HGEQGKLWOOWOLL-UHFFFAOYSA-N -1 1 300.742 0.721 20 0 DCADMM C[N@@H+](CCNC(=O)Cc1ccc([O-])c(Cl)c1)CC(=O)[O-] ZINC001598490173 992277142 /nfs/dbraw/zinc/27/71/42/992277142.db2.gz HGEQGKLWOOWOLL-UHFFFAOYSA-N -1 1 300.742 0.721 20 0 DCADMM CN(CCNC(=O)[C@@H]1CCCCN1C)c1ncc(C(=O)[O-])cn1 ZINC001598491538 992299810 /nfs/dbraw/zinc/29/98/10/992299810.db2.gz PDIUKEXUJRXBHK-LBPRGKRZSA-N -1 1 321.381 0.212 20 0 DCADMM C[C@@H](CN(C)Cc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC001392721880 992319341 /nfs/dbraw/zinc/31/93/41/992319341.db2.gz KXZSTKYMYJWULW-AVGNSLFASA-N -1 1 323.441 0.871 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccncc1F ZINC001392732944 992335648 /nfs/dbraw/zinc/33/56/48/992335648.db2.gz AQLTWOBEIOJBTG-VIFPVBQESA-N -1 1 318.308 0.870 20 0 DCADMM CN(CCNCc1cc(C2CC2)no1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598495645 992356682 /nfs/dbraw/zinc/35/66/82/992356682.db2.gz NSTXZTQKGBAZGQ-NWDGAFQWSA-N -1 1 307.350 0.821 20 0 DCADMM CCc1[nH]ccc1C(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001392772441 992375225 /nfs/dbraw/zinc/37/52/25/992375225.db2.gz GZZIKGCESOGNMA-LBPRGKRZSA-N -1 1 318.381 0.699 20 0 DCADMM CC(C)CNC(=O)C[N@H+]1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001591369208 992396436 /nfs/dbraw/zinc/39/64/36/992396436.db2.gz LLVBIQXHFCEDIP-VTWZXRTESA-N -1 1 312.366 0.256 20 0 DCADMM CN(CCS(=O)(=O)CC(=O)OC(C)(C)C)C(C)(C)C(=O)[O-] ZINC001598499008 992405224 /nfs/dbraw/zinc/40/52/24/992405224.db2.gz BLAKTKQZXQUVEP-UHFFFAOYSA-N -1 1 323.411 0.538 20 0 DCADMM CC[C@@H](F)C(=O)NC1(C)CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001393069785 992663924 /nfs/dbraw/zinc/66/39/24/992663924.db2.gz WLBMBAMCILXMRK-SNVBAGLBSA-N -1 1 313.377 0.327 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001393266534 992810575 /nfs/dbraw/zinc/81/05/75/992810575.db2.gz IGEJYQZTFWHHNQ-VHSXEESVSA-N -1 1 309.391 0.869 20 0 DCADMM CC(C)N1CCC[C@@H]1C(=O)OCCCc1cn(CC(=O)[O-])nn1 ZINC001591630138 992931371 /nfs/dbraw/zinc/93/13/71/992931371.db2.gz ZNZBHYXCZQMUIY-CYBMUJFWSA-N -1 1 324.381 0.711 20 0 DCADMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCC1)[C@H]1CC1(F)F ZINC001393536677 993063851 /nfs/dbraw/zinc/06/38/51/993063851.db2.gz RUDPJBISXIMQNQ-SSDOTTSWSA-N -1 1 301.297 0.294 20 0 DCADMM CN1CC(=O)N(CCN2CCc3ccc(C(=O)[O-])cc3C2)C1=O ZINC001598560958 993087161 /nfs/dbraw/zinc/08/71/61/993087161.db2.gz XAJFFHUUDXTHSY-UHFFFAOYSA-N -1 1 317.345 0.637 20 0 DCADMM CC(C)CCC(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001393571951 993092407 /nfs/dbraw/zinc/09/24/07/993092407.db2.gz OMOOHZGAWCQWTR-LLVKDONJSA-N -1 1 311.386 0.264 20 0 DCADMM Cc1nnc(CN(C)CCCN(C)C(=O)c2ncccc2[O-])[nH]1 ZINC001393618109 993130338 /nfs/dbraw/zinc/13/03/38/993130338.db2.gz JYKSRXRQIWTIMD-UHFFFAOYSA-N -1 1 318.381 0.808 20 0 DCADMM 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322.369 0.920 20 0 DCADMM O=C(CCc1ccon1)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001423007548 1010804240 /nfs/dbraw/zinc/80/42/40/1010804240.db2.gz GAOHXWGVGFNYHQ-NSHDSACASA-N -1 1 320.353 0.116 20 0 DCADMM COC(=O)N(C)CC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001444208970 1010905879 /nfs/dbraw/zinc/90/58/79/1010905879.db2.gz WNAIFMFDWIHTNB-UHFFFAOYSA-N -1 1 320.309 0.415 20 0 DCADMM CCc1occc1C(=O)N(C)[C@@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001444579151 1011071072 /nfs/dbraw/zinc/07/10/72/1011071072.db2.gz LFMHNDGLNRUPMV-VIFPVBQESA-N -1 1 307.354 0.916 20 0 DCADMM C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CCC(F)F ZINC001423339781 1011088481 /nfs/dbraw/zinc/08/84/81/1011088481.db2.gz ZVHALFHWZXKNIU-HTQZYQBOSA-N -1 1 303.313 0.635 20 0 DCADMM CC(C)(C)[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CCCF ZINC001423608972 1011343508 /nfs/dbraw/zinc/34/35/08/1011343508.db2.gz OYUXDMOCNNNLLC-VIFPVBQESA-N -1 1 301.366 0.881 20 0 DCADMM CS(C)(=O)=NS(=O)(=O)[N-]CCC(=O)Nc1ccccc1 ZINC001423691480 1011426293 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-1 1 308.367 0.479 20 0 DCADMM Cn1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1=O ZINC000822689862 606648275 /nfs/dbraw/zinc/64/82/75/606648275.db2.gz PYFVYBMZNXNCPM-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM Cn1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1=O ZINC000822689862 606648276 /nfs/dbraw/zinc/64/82/76/606648276.db2.gz PYFVYBMZNXNCPM-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM CN1CC[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC000821622172 606650971 /nfs/dbraw/zinc/65/09/71/606650971.db2.gz UYXPXOWHHMVHBX-SNVBAGLBSA-N -1 1 316.321 0.173 20 0 DCADMM CN1CC[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC000821622172 606650972 /nfs/dbraw/zinc/65/09/72/606650972.db2.gz UYXPXOWHHMVHBX-SNVBAGLBSA-N -1 1 316.321 0.173 20 0 DCADMM O=C(Cn1ccccc1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823123303 606653889 /nfs/dbraw/zinc/65/38/89/606653889.db2.gz WRUQRMZHMSRREB-UHFFFAOYSA-N -1 1 312.289 0.167 20 0 DCADMM O=C(Cn1ccccc1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823123303 606653890 /nfs/dbraw/zinc/65/38/90/606653890.db2.gz WRUQRMZHMSRREB-UHFFFAOYSA-N -1 1 312.289 0.167 20 0 DCADMM Cc1csc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)n1 ZINC000822414843 606706900 /nfs/dbraw/zinc/70/69/00/606706900.db2.gz WSSYATOTUZFVGU-UHFFFAOYSA-N -1 1 303.351 0.853 20 0 DCADMM O=C(NCCCO[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823191369 606813250 /nfs/dbraw/zinc/81/32/50/606813250.db2.gz KOSQWHBEMNWXOA-NSHDSACASA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCCO[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823191369 606813251 /nfs/dbraw/zinc/81/32/51/606813251.db2.gz KOSQWHBEMNWXOA-NSHDSACASA-N -1 1 318.337 0.187 20 0 DCADMM COC(=O)C(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821639020 606817267 /nfs/dbraw/zinc/81/72/67/606817267.db2.gz NDPLCHIMZDZAOK-UHFFFAOYSA-N -1 1 309.351 0.857 20 0 DCADMM COC(=O)C(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821639020 606817269 /nfs/dbraw/zinc/81/72/69/606817269.db2.gz NDPLCHIMZDZAOK-UHFFFAOYSA-N -1 1 309.351 0.857 20 0 DCADMM CCC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)s1)c1nn[n-]n1 ZINC000821023134 606912383 /nfs/dbraw/zinc/91/23/83/606912383.db2.gz XJNHETGCRDCOQP-LURJTMIESA-N -1 1 319.354 0.713 20 0 DCADMM O[C@@]12CCCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC000823698742 607033341 /nfs/dbraw/zinc/03/33/41/607033341.db2.gz QUULQUWOVJLWEF-IINYFYTJSA-N -1 1 301.354 0.788 20 0 DCADMM O[C@@]12CCCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC000823698742 607033343 /nfs/dbraw/zinc/03/33/43/607033343.db2.gz QUULQUWOVJLWEF-IINYFYTJSA-N -1 1 301.354 0.788 20 0 DCADMM Cc1n[n-]cc1S(=O)(=O)Oc1cc(-c2nn[nH]n2)ccc1C ZINC000822222461 607049366 /nfs/dbraw/zinc/04/93/66/607049366.db2.gz HWMKJIKWUQKJDP-UHFFFAOYSA-N -1 1 320.334 0.974 20 0 DCADMM C[C@@H]1SCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@H]1C ZINC000820820087 607069872 /nfs/dbraw/zinc/06/98/72/607069872.db2.gz MNBIQBFRWPANNS-YUMQZZPRSA-N -1 1 322.398 0.958 20 0 DCADMM C[C@@H]1SCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@H]1C ZINC000820820087 607069873 /nfs/dbraw/zinc/06/98/73/607069873.db2.gz MNBIQBFRWPANNS-YUMQZZPRSA-N -1 1 322.398 0.958 20 0 DCADMM CS(=O)(=O)CCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821927186 607106204 /nfs/dbraw/zinc/10/62/04/607106204.db2.gz SUNFEPVZOLPZSS-UHFFFAOYSA-N -1 1 316.368 0.087 20 0 DCADMM CS(=O)(=O)CCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821927186 607106206 /nfs/dbraw/zinc/10/62/06/607106206.db2.gz SUNFEPVZOLPZSS-UHFFFAOYSA-N -1 1 316.368 0.087 20 0 DCADMM Cc1ncsc1-c1nc(Cn2cnc(-c3nn[n-]n3)n2)no1 ZINC000822482719 607157728 /nfs/dbraw/zinc/15/77/28/607157728.db2.gz YHCMOTIKFQBNQF-UHFFFAOYSA-N -1 1 316.310 0.321 20 0 DCADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)Cc2ccccc21 ZINC000820735965 607205658 /nfs/dbraw/zinc/20/56/58/607205658.db2.gz WBTZAYWVXFVWED-JTQLQIEISA-N -1 1 324.348 0.604 20 0 DCADMM C[C@H](Cc1ccsc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820307861 607209140 /nfs/dbraw/zinc/20/91/40/607209140.db2.gz PZKBEEFPMLYGSG-MRVPVSSYSA-N -1 1 318.366 0.267 20 0 DCADMM C[C@@H](Cc1ccsc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820307862 607209322 /nfs/dbraw/zinc/20/93/22/607209322.db2.gz PZKBEEFPMLYGSG-QMMMGPOBSA-N -1 1 318.366 0.267 20 0 DCADMM CC1CCC(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820690745 607210088 /nfs/dbraw/zinc/21/00/88/607210088.db2.gz RDJPLBCRTVBJDP-UHFFFAOYSA-N -1 1 304.358 0.401 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1CC(c2ccccc2)C1 ZINC000823127317 607213789 /nfs/dbraw/zinc/21/37/89/607213789.db2.gz ZOQRUPNSZWNDKO-UHFFFAOYSA-N -1 1 324.348 0.521 20 0 DCADMM Cc1cccc(F)c1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822308465 607220274 /nfs/dbraw/zinc/22/02/74/607220274.db2.gz FTQLBWFHYOQFGU-UHFFFAOYSA-N -1 1 316.300 0.222 20 0 DCADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820650646 607221143 /nfs/dbraw/zinc/22/11/43/607221143.db2.gz XADCVGHCSVXLSI-UWVGGRQHSA-N -1 1 318.385 0.789 20 0 DCADMM CNC(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826067791 607989139 /nfs/dbraw/zinc/98/91/39/607989139.db2.gz KIFHJBJEFXQGJV-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM CNC(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826067791 607989140 /nfs/dbraw/zinc/98/91/40/607989140.db2.gz KIFHJBJEFXQGJV-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC2(C1)OCCO2 ZINC000826472354 607996038 /nfs/dbraw/zinc/99/60/38/607996038.db2.gz HZEBYGNLXNSSKN-UHFFFAOYSA-N -1 1 321.362 0.907 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC2(C1)OCCO2 ZINC000826472354 607996039 /nfs/dbraw/zinc/99/60/39/607996039.db2.gz HZEBYGNLXNSSKN-UHFFFAOYSA-N -1 1 321.362 0.907 20 0 DCADMM NC(=O)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000826393235 607997009 /nfs/dbraw/zinc/99/70/09/607997009.db2.gz JAEREVSHMBYVGA-UHFFFAOYSA-N -1 1 324.300 0.924 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823161694 608011861 /nfs/dbraw/zinc/01/18/61/608011861.db2.gz PMXYAWFOLOWFOH-KGLIPLIRSA-N -1 1 322.328 0.650 20 0 DCADMM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823161694 608011862 /nfs/dbraw/zinc/01/18/62/608011862.db2.gz PMXYAWFOLOWFOH-KGLIPLIRSA-N -1 1 322.328 0.650 20 0 DCADMM c1nc(-c2nn[n-]n2)nn1-c1nccc(OCc2ccccc2)n1 ZINC000826521892 608015999 /nfs/dbraw/zinc/01/59/99/608015999.db2.gz CLHDFHQALNNZMX-UHFFFAOYSA-N -1 1 321.304 0.816 20 0 DCADMM NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826391990 608099800 /nfs/dbraw/zinc/09/98/00/608099800.db2.gz KBFMAXSEJUACBU-ZCFIWIBFSA-N -1 1 308.733 0.162 20 0 DCADMM NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826391990 608099801 /nfs/dbraw/zinc/09/98/01/608099801.db2.gz KBFMAXSEJUACBU-ZCFIWIBFSA-N -1 1 308.733 0.162 20 0 DCADMM O=C(N[C@H](CO)C1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426383 608186067 /nfs/dbraw/zinc/18/60/67/608186067.db2.gz LYLMLJGAWSNPQU-CYBMUJFWSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(N[C@H](CO)C1CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426383 608186069 /nfs/dbraw/zinc/18/60/69/608186069.db2.gz LYLMLJGAWSNPQU-CYBMUJFWSA-N -1 1 316.365 0.933 20 0 DCADMM CN(CC(C)(CO)CO)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825902010 608190363 /nfs/dbraw/zinc/19/03/63/608190363.db2.gz NMQUMPIFQJWGAK-UHFFFAOYSA-N -1 1 318.790 0.404 20 0 DCADMM CN(CC(C)(CO)CO)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825902010 608190365 /nfs/dbraw/zinc/19/03/65/608190365.db2.gz NMQUMPIFQJWGAK-UHFFFAOYSA-N -1 1 318.790 0.404 20 0 DCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccn(C)n1 ZINC000826294742 608219872 /nfs/dbraw/zinc/21/98/72/608219872.db2.gz AQACAMUAJOOTEE-UHFFFAOYSA-N -1 1 322.332 0.667 20 0 DCADMM Cc1nn(CCO)c(NCc2ccc(-c3nnn[n-]3)o2)c1C ZINC000826335127 608309938 /nfs/dbraw/zinc/30/99/38/608309938.db2.gz ZQLLONNRRXKYEG-UHFFFAOYSA-N -1 1 303.326 0.877 20 0 DCADMM Cc1nn(CCO)c(NCc2ccc(-c3nn[n-]n3)o2)c1C ZINC000826335127 608309939 /nfs/dbraw/zinc/30/99/39/608309939.db2.gz ZQLLONNRRXKYEG-UHFFFAOYSA-N -1 1 303.326 0.877 20 0 DCADMM CN(C)C(=O)[C@@H]1CC[C@H](CNc2cccc(-c3nnn[n-]3)n2)O1 ZINC000825839001 608413743 /nfs/dbraw/zinc/41/37/43/608413743.db2.gz DVVWPTHZBQLHCV-KOLCDFICSA-N -1 1 317.353 0.309 20 0 DCADMM CN(C)C(=O)[C@@H]1CC[C@H](CNc2cccc(-c3nn[n-]n3)n2)O1 ZINC000825839001 608413744 /nfs/dbraw/zinc/41/37/44/608413744.db2.gz DVVWPTHZBQLHCV-KOLCDFICSA-N -1 1 317.353 0.309 20 0 DCADMM CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826221976 608423699 /nfs/dbraw/zinc/42/36/99/608423699.db2.gz CQOHVQBVSBWZEP-IUCAKERBSA-N -1 1 323.382 0.424 20 0 DCADMM CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826221976 608423700 /nfs/dbraw/zinc/42/37/00/608423700.db2.gz CQOHVQBVSBWZEP-IUCAKERBSA-N -1 1 323.382 0.424 20 0 DCADMM c1cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)nnc1-c1nnn[n-]1 ZINC000826517321 608431914 /nfs/dbraw/zinc/43/19/14/608431914.db2.gz YPPLRKZKFDBOGA-WDEREUQCSA-N -1 1 303.326 0.041 20 0 DCADMM c1cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)nnc1-c1nn[n-]n1 ZINC000826517321 608431915 /nfs/dbraw/zinc/43/19/15/608431915.db2.gz YPPLRKZKFDBOGA-WDEREUQCSA-N -1 1 303.326 0.041 20 0 DCADMM COCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826147655 608516622 /nfs/dbraw/zinc/51/66/22/608516622.db2.gz GJOIWPAPUKUMIT-UHFFFAOYSA-N -1 1 322.394 0.219 20 0 DCADMM COCC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(N)=O ZINC000826154946 608587897 /nfs/dbraw/zinc/58/78/97/608587897.db2.gz BAZMHNUCLGGEKQ-BYPYZUCNSA-N -1 1 317.762 0.279 20 0 DCADMM COCC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(N)=O ZINC000826154946 608587898 /nfs/dbraw/zinc/58/78/98/608587898.db2.gz BAZMHNUCLGGEKQ-BYPYZUCNSA-N -1 1 317.762 0.279 20 0 DCADMM O=C1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@H]2CCCC[C@H]2N1 ZINC000826481339 608655392 /nfs/dbraw/zinc/65/53/92/608655392.db2.gz QJGVYPZNQQKLEO-MNOVXSKESA-N -1 1 302.338 0.703 20 0 DCADMM O=C1CN(Cc2ccc(-c3nn[n-]n3)o2)[C@H]2CCCC[C@H]2N1 ZINC000826481339 608655393 /nfs/dbraw/zinc/65/53/93/608655393.db2.gz QJGVYPZNQQKLEO-MNOVXSKESA-N -1 1 302.338 0.703 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826365597 608740463 /nfs/dbraw/zinc/74/04/63/608740463.db2.gz UXOKLMYDBBMHRH-JTQLQIEISA-N -1 1 300.326 0.925 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826365597 608740464 /nfs/dbraw/zinc/74/04/64/608740464.db2.gz UXOKLMYDBBMHRH-JTQLQIEISA-N -1 1 300.326 0.925 20 0 DCADMM CC(=O)Nc1ccc(C(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000824000177 608886343 /nfs/dbraw/zinc/88/63/43/608886343.db2.gz YFWVGXLJIXLFQL-UHFFFAOYSA-N -1 1 311.305 0.905 20 0 DCADMM CC(=O)Nc1ccc(C(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000824000177 608886345 /nfs/dbraw/zinc/88/63/45/608886345.db2.gz YFWVGXLJIXLFQL-UHFFFAOYSA-N -1 1 311.305 0.905 20 0 DCADMM O=C1[C@H](n2ccnc2-c2nnn[n-]2)CCN1CC(F)(F)F ZINC000826477340 608894081 /nfs/dbraw/zinc/89/40/81/608894081.db2.gz AKCIKRMWXXFQSI-ZCFIWIBFSA-N -1 1 301.232 0.399 20 0 DCADMM O=C1[C@H](n2ccnc2-c2nn[n-]n2)CCN1CC(F)(F)F ZINC000826477340 608894084 /nfs/dbraw/zinc/89/40/84/608894084.db2.gz AKCIKRMWXXFQSI-ZCFIWIBFSA-N -1 1 301.232 0.399 20 0 DCADMM Cc1nnc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)s1 ZINC000826335697 609267582 /nfs/dbraw/zinc/26/75/82/609267582.db2.gz XQNNFBLKOPJROD-UHFFFAOYSA-N -1 1 320.338 0.182 20 0 DCADMM Cc1nnc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)s1 ZINC000826335697 609267584 /nfs/dbraw/zinc/26/75/84/609267584.db2.gz XQNNFBLKOPJROD-UHFFFAOYSA-N -1 1 320.338 0.182 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H](C)O1 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302.338 0.298 20 0 DCADMM C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1cccnc1 ZINC000985892382 662525660 /nfs/dbraw/zinc/52/56/60/662525660.db2.gz YXQRBGNOKDVIID-GXSJLCMTSA-N -1 1 302.338 0.298 20 0 DCADMM C/C(=C/C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@H]1C)C1CC1 ZINC000986011845 662537440 /nfs/dbraw/zinc/53/74/40/662537440.db2.gz RFYUIUCTMKRTIO-UDNGQWLYSA-N -1 1 305.382 0.946 20 0 DCADMM C[C@@H]1[C@H](NCc2cnn(C)n2)CCN1C(=O)c1ncccc1[O-] ZINC000986174167 662564730 /nfs/dbraw/zinc/56/47/30/662564730.db2.gz XRVHBHAOZVPICX-ZYHUDNBSSA-N -1 1 316.365 0.309 20 0 DCADMM Cc1ccnc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)n1 ZINC000986218517 662571504 /nfs/dbraw/zinc/57/15/04/662571504.db2.gz DCKZFLORGIOQEZ-VHSXEESVSA-N -1 1 317.353 0.002 20 0 DCADMM Cc1cc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)cnn1 ZINC000986217992 662571507 /nfs/dbraw/zinc/57/15/07/662571507.db2.gz NOIKIRLPZABSQX-ONGXEEELSA-N -1 1 317.353 0.002 20 0 DCADMM Cc1ccc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@H]2C)nn1 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CCc1ocnc1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000988429238 662773202 /nfs/dbraw/zinc/77/32/02/662773202.db2.gz GTIGBLJLXDDMFY-IUCAKERBSA-N -1 1 320.353 0.454 20 0 DCADMM Cc1ccncc1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000988466802 662788429 /nfs/dbraw/zinc/78/84/29/662788429.db2.gz BXWMQNWRAGPYBC-QWRGUYRKSA-N -1 1 316.365 0.607 20 0 DCADMM O=C([O-])CN(C(=O)N[C@@H]1CCCN2CCSC[C@H]12)C1CC1 ZINC000929062696 662806916 /nfs/dbraw/zinc/80/69/16/662806916.db2.gz BJPJVGOKOWEOJA-VXGBXAGGSA-N -1 1 313.423 0.825 20 0 DCADMM O=C(Cc1ccon1)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937765617 662820000 /nfs/dbraw/zinc/82/00/00/662820000.db2.gz MQDZQGDOJTVZIL-NSHDSACASA-N -1 1 316.317 0.349 20 0 DCADMM C[C@H]1C[C@H](NCc2nncn2C)CN1C(=O)c1ncccc1[O-] ZINC000988684744 662827784 /nfs/dbraw/zinc/82/77/84/662827784.db2.gz NUFPWJALWMDXSO-QWRGUYRKSA-N -1 1 316.365 0.309 20 0 DCADMM CS[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000937861884 662833514 /nfs/dbraw/zinc/83/35/14/662833514.db2.gz WODDIBAGTNJUTB-UWVGGRQHSA-N -1 1 309.391 0.869 20 0 DCADMM Cc1ccc(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C[C@H]2C)nn1 ZINC000988837012 662866046 /nfs/dbraw/zinc/86/60/46/662866046.db2.gz SVKAFRYHHWZTNK-ZJUUUORDSA-N -1 1 317.353 0.002 20 0 DCADMM Cc1coc(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C[C@@H]2C)c1 ZINC000989305461 662898850 /nfs/dbraw/zinc/89/88/50/662898850.db2.gz DALVTRXMRMYBEE-UWVGGRQHSA-N -1 1 305.338 0.805 20 0 DCADMM CCc1nocc1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000989421507 662916536 /nfs/dbraw/zinc/91/65/36/662916536.db2.gz JNFLGDCJQQFGGT-BDAKNGLRSA-N -1 1 320.353 0.454 20 0 DCADMM CN(CCc1ccccc1)CC(=O)N(C)Cc1n[n-]c(=O)o1 ZINC000898006816 662934457 /nfs/dbraw/zinc/93/44/57/662934457.db2.gz ZCZFWGICVKTMGV-UHFFFAOYSA-N -1 1 304.350 0.908 20 0 DCADMM O=C(NC1CN(C(=O)c2ncccc2[O-])C1)C1CCOCC1 ZINC000990031873 662996456 /nfs/dbraw/zinc/99/64/56/662996456.db2.gz GYAHVZRGJRKLMT-UHFFFAOYSA-N -1 1 305.334 0.154 20 0 DCADMM CCn1cnc(C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c1 ZINC001000704967 665919402 /nfs/dbraw/zinc/91/94/02/665919402.db2.gz NTOVBZYNNXOFIG-SNVBAGLBSA-N -1 1 319.369 0.121 20 0 DCADMM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[N-]OCCO)C(C)(C)C1 ZINC000898938879 663114826 /nfs/dbraw/zinc/11/48/26/663114826.db2.gz BTKYGFHTUVPLHD-JTQLQIEISA-N -1 1 302.371 0.920 20 0 DCADMM O=C(C[C@H]1CCCCO1)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000990775904 663140041 /nfs/dbraw/zinc/14/00/41/663140041.db2.gz QIEJJILRYVRDPV-GFCCVEGCSA-N -1 1 319.361 0.687 20 0 DCADMM Cc1cnc(Cl)c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000900626024 663263738 /nfs/dbraw/zinc/26/37/38/663263738.db2.gz PTWDWRCXZGDOGK-VIFPVBQESA-N -1 1 308.729 0.770 20 0 DCADMM O=C(NCCOC[C@H]1CCOC1)c1cnc(C2CC2)[n-]c1=O ZINC000900644682 663268998 /nfs/dbraw/zinc/26/89/98/663268998.db2.gz LHBCSRYKCUDQHH-JTQLQIEISA-N -1 1 307.350 0.843 20 0 DCADMM C[C@H](CO[C@H]1CCOC1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900999880 663303266 /nfs/dbraw/zinc/30/32/66/663303266.db2.gz 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/nfs/dbraw/zinc/59/52/96/663595296.db2.gz SXNWXVSMTFLKQC-BYPYZUCNSA-N -1 1 316.104 0.743 20 0 DCADMM CC(C)(Nc1ccccc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000906618957 663624333 /nfs/dbraw/zinc/62/43/33/663624333.db2.gz YNDGHHKYXQBKBE-LBPRGKRZSA-N -1 1 316.365 0.990 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(C)(C)C)C1=O)c1nn[n-]n1 ZINC000907350743 663687763 /nfs/dbraw/zinc/68/77/63/663687763.db2.gz UJXSJYMGWTUEOM-WDEREUQCSA-N -1 1 322.413 0.799 20 0 DCADMM O=C(/C=C\C1CCOCC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907475658 663697347 /nfs/dbraw/zinc/69/73/47/663697347.db2.gz PBBGLCFVZSYZCB-RFMOXSJOSA-N -1 1 309.395 0.799 20 0 DCADMM C[C@H](Cc1cnn(C)c1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479373 663701031 /nfs/dbraw/zinc/70/10/31/663701031.db2.gz CQTXPHMHTICRCV-MWLCHTKSSA-N -1 1 321.410 0.429 20 0 DCADMM O=C(c1cnn(C(F)F)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478848 663701091 /nfs/dbraw/zinc/70/10/91/663701091.db2.gz WVWNSNTUHTYJQE-ZETCQYMHSA-N -1 1 315.309 0.722 20 0 DCADMM O=C(c1cn2c(n1)CCCC2)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480126 663701200 /nfs/dbraw/zinc/70/12/00/663701200.db2.gz QDSSUXSXNGPZTL-SNVBAGLBSA-N -1 1 319.394 0.663 20 0 DCADMM COCCCOCCC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907481057 663701672 /nfs/dbraw/zinc/70/16/72/663701672.db2.gz TWTBWNOEQXBSHK-JTQLQIEISA-N -1 1 315.399 0.259 20 0 DCADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000907781142 663717166 /nfs/dbraw/zinc/71/71/66/663717166.db2.gz DCNKYHYQRFWRQJ-LBPRGKRZSA-N -1 1 317.345 0.880 20 0 DCADMM COC[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)[C@@H]1CCCO1 ZINC000907850964 663720642 /nfs/dbraw/zinc/72/06/42/663720642.db2.gz XFTNAAVWGLZYPS-NEPJUHHUSA-N -1 1 307.350 0.983 20 0 DCADMM Cc1noc(C2(NS(=O)(=O)CC3([NH+](C)C)CC3)CC2)n1 ZINC000907860267 663721277 /nfs/dbraw/zinc/72/12/77/663721277.db2.gz MYJXVBDFDBRQCY-UHFFFAOYSA-N -1 1 300.384 0.381 20 0 DCADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC(=O)N(CC2CC2)C1 ZINC000907846818 663721790 /nfs/dbraw/zinc/72/17/90/663721790.db2.gz 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/nfs/dbraw/zinc/78/58/14/663785814.db2.gz KIEKNJQRUOXSLQ-VXGBXAGGSA-N -1 1 306.293 0.911 20 0 DCADMM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](C)CN2CCOCC2)C1 ZINC000909702511 663795565 /nfs/dbraw/zinc/79/55/65/663795565.db2.gz IFVXBXABZQALGC-CZUORRHYSA-N -1 1 312.410 0.914 20 0 DCADMM CCOC[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)C(C)C ZINC000909723506 663797801 /nfs/dbraw/zinc/79/78/01/663797801.db2.gz JUOWGRQRMSNCIJ-QWHCGFSZSA-N -1 1 300.399 0.960 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000909840509 663812133 /nfs/dbraw/zinc/81/21/33/663812133.db2.gz VKWARXFCKWSGPC-HTQZYQBOSA-N -1 1 311.256 0.797 20 0 DCADMM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000909943902 663822670 /nfs/dbraw/zinc/82/26/70/663822670.db2.gz RSUHPUKISMDGGS-MEBBXXQBSA-N -1 1 307.350 0.607 20 0 DCADMM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985959 663827335 /nfs/dbraw/zinc/82/73/35/663827335.db2.gz VCAOEWAQOIMIQQ-SREIQFSDSA-N -1 1 314.288 0.885 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cnn3ncccc23)CC1 ZINC000910172988 663848917 /nfs/dbraw/zinc/84/89/17/663848917.db2.gz IILMYOPVQWTQKU-LLVKDONJSA-N -1 1 317.349 0.350 20 0 DCADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cn(CC3CC3)nn2)CC1 ZINC000910179231 663852676 /nfs/dbraw/zinc/85/26/76/663852676.db2.gz UXFXFDGNYRNUIL-UHFFFAOYSA-N -1 1 321.381 0.309 20 0 DCADMM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000910218141 663854320 /nfs/dbraw/zinc/85/43/20/663854320.db2.gz QOQAIXOJAMDMMA-JTQLQIEISA-N -1 1 307.228 0.744 20 0 DCADMM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC000910226788 663856217 /nfs/dbraw/zinc/85/62/17/663856217.db2.gz HTCSGCDRBGIXHH-QCMRWSPLSA-N -1 1 307.350 0.776 20 0 DCADMM CC(C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC000991289784 663948401 /nfs/dbraw/zinc/94/84/01/663948401.db2.gz NXVJDKLYHSXRDG-JQWIXIFHSA-N -1 1 307.350 0.135 20 0 DCADMM O=C([O-])C12CC(C(=O)N[C@H]3CCCN4CCSC[C@H]34)(C1)C2 ZINC000910986977 663965796 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O=C([O-])[C@]1(C(=O)NCc2csc3ccccc23)CNCCO1 ZINC000912439497 664172894 /nfs/dbraw/zinc/17/28/94/664172894.db2.gz SXXHIFOTYSSCDP-OAHLLOKOSA-N -1 1 320.370 0.961 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000912546366 664183344 /nfs/dbraw/zinc/18/33/44/664183344.db2.gz DZWKHUABFXJZRZ-MRVPVSSYSA-N -1 1 319.408 0.760 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)[C@@H]1CCCOC1 ZINC000912548010 664183688 /nfs/dbraw/zinc/18/36/88/664183688.db2.gz RGCOHTXWMDCPSS-RKDXNWHRSA-N -1 1 317.367 0.290 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CC[C@@H](SC)C1 ZINC000912544470 664186007 /nfs/dbraw/zinc/18/60/07/664186007.db2.gz ZXMOCZRQRRLQNG-JGVFFNPUSA-N -1 1 319.408 0.759 20 0 DCADMM CC1(C)CNC(=O)[C@@H]1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000912640202 664197534 /nfs/dbraw/zinc/19/75/34/664197534.db2.gz CTRXVSQUYYSFFP-VIFPVBQESA-N -1 1 305.363 0.272 20 0 DCADMM CC(C)CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC000991406448 664231589 /nfs/dbraw/zinc/23/15/89/664231589.db2.gz 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Cc1cc(NC(=O)CSc2nnc(C)[nH]2)n(CC(=O)[O-])n1 ZINC001574141116 1163647561 /nfs/dbraw/zinc/64/75/61/1163647561.db2.gz ILHMHBPYSSPEAX-UHFFFAOYSA-N -1 1 310.339 0.433 20 0 DCADMM Cc1cc(NC(=O)CSc2nc(C)n[nH]2)n(CC(=O)[O-])n1 ZINC001574141116 1163647563 /nfs/dbraw/zinc/64/75/63/1163647563.db2.gz ILHMHBPYSSPEAX-UHFFFAOYSA-N -1 1 310.339 0.433 20 0 DCADMM NC(=O)NC(=O)CN[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001574256577 1163677309 /nfs/dbraw/zinc/67/73/09/1163677309.db2.gz GMXOLYKLFNFCFN-CYBMUJFWSA-N -1 1 315.329 0.620 20 0 DCADMM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@@H](O)c2cncs2)C1 ZINC001574299883 1163689621 /nfs/dbraw/zinc/68/96/21/1163689621.db2.gz VHJJQMIXAPZOKB-VHSXEESVSA-N -1 1 313.379 0.089 20 0 DCADMM O=C([O-])c1c[nH]nc1[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001574415334 1163717171 /nfs/dbraw/zinc/71/71/71/1163717171.db2.gz PMUQVTBRAQECCE-SECBINFHSA-N -1 1 303.322 0.780 20 0 DCADMM O=C([O-])c1cn[nH]c1[C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001574431267 1163723143 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DCADMM C[C@H](CNC(=O)C(C)(C)F)CNc1nccnc1-c1nnn[n-]1 ZINC001574831881 1163764184 /nfs/dbraw/zinc/76/41/84/1163764184.db2.gz ZZHPQPYDMWOAAO-QMMMGPOBSA-N -1 1 322.348 0.569 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)F)CNc1nccnc1-c1nn[n-]n1 ZINC001574831881 1163764191 /nfs/dbraw/zinc/76/41/91/1163764191.db2.gz ZZHPQPYDMWOAAO-QMMMGPOBSA-N -1 1 322.348 0.569 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574846841 1163768847 /nfs/dbraw/zinc/76/88/47/1163768847.db2.gz ZBBUCNBDNFTWPN-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574846841 1163768857 /nfs/dbraw/zinc/76/88/57/1163768857.db2.gz ZBBUCNBDNFTWPN-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574846795 1163769064 /nfs/dbraw/zinc/76/90/64/1163769064.db2.gz XRABVERPVNUVDD-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CC12CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574863375 1163776537 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CC1(C)CN(Cc2cccc(-c3nn[n-]n3)n2)[C@@H]2COC[C@H]2O1 ZINC001575718161 1164117502 /nfs/dbraw/zinc/11/75/02/1164117502.db2.gz GIHQNCLZMWNUEY-CHWSQXEVSA-N -1 1 316.365 0.640 20 0 DCADMM C[C@@H]1CC[C@@H](CC(=O)NCCCNC(=O)c2ncccc2[O-])O1 ZINC001575794928 1164153972 /nfs/dbraw/zinc/15/39/72/1164153972.db2.gz MNIHEUSSBKRBRN-NEPJUHHUSA-N -1 1 321.377 0.981 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576083178 1164232938 /nfs/dbraw/zinc/23/29/38/1164232938.db2.gz BHTOKAKQDFUROM-AATLWQCWSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576083178 1164232948 /nfs/dbraw/zinc/23/29/48/1164232948.db2.gz BHTOKAKQDFUROM-AATLWQCWSA-N -1 1 314.353 0.372 20 0 DCADMM CCC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576415363 1164334236 /nfs/dbraw/zinc/33/42/36/1164334236.db2.gz QYSPPPHHEVGWRU-UHFFFAOYSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576415363 1164334241 /nfs/dbraw/zinc/33/42/41/1164334241.db2.gz QYSPPPHHEVGWRU-UHFFFAOYSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576414694 1164334904 /nfs/dbraw/zinc/33/49/04/1164334904.db2.gz DBUXUMBKAHHBDF-NXEZZACHSA-N -1 1 316.369 0.138 20 0 DCADMM CCC(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576416860 1164335851 /nfs/dbraw/zinc/33/58/51/1164335851.db2.gz TYNCUDUOHHKBQY-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576416860 1164335858 /nfs/dbraw/zinc/33/58/58/1164335858.db2.gz TYNCUDUOHHKBQY-JTQLQIEISA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576417279 1164336041 /nfs/dbraw/zinc/33/60/41/1164336041.db2.gz YXZJNNMYROQPNZ-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576417279 1164336049 /nfs/dbraw/zinc/33/60/49/1164336049.db2.gz YXZJNNMYROQPNZ-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001576420763 1164337704 /nfs/dbraw/zinc/33/77/04/1164337704.db2.gz FKHJKPGIRBIQKI-GXSJLCMTSA-N -1 1 314.353 0.104 20 0 DCADMM CCC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001576420763 1164337708 /nfs/dbraw/zinc/33/77/08/1164337708.db2.gz FKHJKPGIRBIQKI-GXSJLCMTSA-N -1 1 314.353 0.104 20 0 DCADMM CCC(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001576420687 1164337760 /nfs/dbraw/zinc/33/77/60/1164337760.db2.gz AXUFKCJSKKKQKJ-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001576420687 1164337764 /nfs/dbraw/zinc/33/77/64/1164337764.db2.gz AXUFKCJSKKKQKJ-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576441280 1164345017 /nfs/dbraw/zinc/34/50/17/1164345017.db2.gz WPHQTBPUPMQCPR-UWVGGRQHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576441280 1164345025 /nfs/dbraw/zinc/34/50/25/1164345025.db2.gz WPHQTBPUPMQCPR-UWVGGRQHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001576444698 1164346809 /nfs/dbraw/zinc/34/68/09/1164346809.db2.gz KXFRWJGTUUCUDP-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001576444698 1164346817 /nfs/dbraw/zinc/34/68/17/1164346817.db2.gz KXFRWJGTUUCUDP-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001576487079 1164363630 /nfs/dbraw/zinc/36/36/30/1164363630.db2.gz LADFGOVWNSVQLF-VIFPVBQESA-N -1 1 302.342 0.152 20 0 DCADMM CCC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001576487079 1164363633 /nfs/dbraw/zinc/36/36/33/1164363633.db2.gz LADFGOVWNSVQLF-VIFPVBQESA-N -1 1 302.342 0.152 20 0 DCADMM CCC(C)(C)C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576527325 1164378923 /nfs/dbraw/zinc/37/89/23/1164378923.db2.gz WGTRZIJMEJEEPS-SECBINFHSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](C)C(=O)N(CC)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576564549 1164392778 /nfs/dbraw/zinc/39/27/78/1164392778.db2.gz SGLVNLLELQIXTA-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)C(=O)N(CC)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576564549 1164392784 /nfs/dbraw/zinc/39/27/84/1164392784.db2.gz SGLVNLLELQIXTA-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001576576334 1164399775 /nfs/dbraw/zinc/39/97/75/1164399775.db2.gz JMVZFMNOIXDNFZ-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001576576334 1164399779 /nfs/dbraw/zinc/39/97/79/1164399779.db2.gz JMVZFMNOIXDNFZ-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@@H](C)CC(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576628465 1164418004 /nfs/dbraw/zinc/41/80/04/1164418004.db2.gz ABAXSJNWLYJUIC-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576939277 1164546166 /nfs/dbraw/zinc/54/61/66/1164546166.db2.gz FCPHMEMFLIGFER-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576939277 1164546171 /nfs/dbraw/zinc/54/61/71/1164546171.db2.gz FCPHMEMFLIGFER-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576943510 1164547662 /nfs/dbraw/zinc/54/76/62/1164547662.db2.gz VHADPEYFPKGGKW-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576943510 1164547669 /nfs/dbraw/zinc/54/76/69/1164547669.db2.gz VHADPEYFPKGGKW-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@@H](C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576940854 1164547824 /nfs/dbraw/zinc/54/78/24/1164547824.db2.gz LPPDUNJUSCYJKT-IUCAKERBSA-N -1 1 322.348 0.133 20 0 DCADMM CC[C@H](F)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576955000 1164556116 /nfs/dbraw/zinc/55/61/16/1164556116.db2.gz HWKLGVXFHVWWDO-QMMMGPOBSA-N -1 1 320.332 0.466 20 0 DCADMM CC[C@H](F)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576955000 1164556124 /nfs/dbraw/zinc/55/61/24/1164556124.db2.gz HWKLGVXFHVWWDO-QMMMGPOBSA-N -1 1 320.332 0.466 20 0 DCADMM CCC1(C(=O)N[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001577102455 1164604108 /nfs/dbraw/zinc/60/41/08/1164604108.db2.gz SGAYZKKEKATWTE-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM CCCC(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001577188178 1164627641 /nfs/dbraw/zinc/62/76/41/1164627641.db2.gz QWIDUUVNZMKDMT-UWVGGRQHSA-N -1 1 316.369 0.280 20 0 DCADMM CCCC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001577187800 1164627786 /nfs/dbraw/zinc/62/77/86/1164627786.db2.gz LPLVOPDSXRCQAW-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001577187800 1164627787 /nfs/dbraw/zinc/62/77/87/1164627787.db2.gz LPLVOPDSXRCQAW-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577218909 1164640415 /nfs/dbraw/zinc/64/04/15/1164640415.db2.gz OBXSHRRUUIIHBO-MGCOHNPYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577218909 1164640417 /nfs/dbraw/zinc/64/04/17/1164640417.db2.gz OBXSHRRUUIIHBO-MGCOHNPYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001577225213 1164641519 /nfs/dbraw/zinc/64/15/19/1164641519.db2.gz LVZMKZCCXCIINV-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC[C@H](O)[C@H](CO)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001577327059 1164671574 /nfs/dbraw/zinc/67/15/74/1164671574.db2.gz YUMUINUTOPBOFQ-QWRGUYRKSA-N -1 1 319.369 0.468 20 0 DCADMM CCC[C@H](O)[C@H](CO)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001577327059 1164671578 /nfs/dbraw/zinc/67/15/78/1164671578.db2.gz YUMUINUTOPBOFQ-QWRGUYRKSA-N -1 1 319.369 0.468 20 0 DCADMM CCCCC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577396252 1164684428 /nfs/dbraw/zinc/68/44/28/1164684428.db2.gz LLXISABHNVKVEO-JTQLQIEISA-N -1 1 318.385 0.528 20 0 DCADMM CCCCN(CCO)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577512447 1164709973 /nfs/dbraw/zinc/70/99/73/1164709973.db2.gz NORCVWPIXWDXEG-UHFFFAOYSA-N -1 1 320.353 0.510 20 0 DCADMM O=S(=O)(N[C@@H](Cc1c[nH]nn1)c1ccccc1)c1ncc[n-]1 ZINC001578047058 1164907735 /nfs/dbraw/zinc/90/77/35/1164907735.db2.gz DLCYUWORDPNPPM-LBPRGKRZSA-N -1 1 318.362 0.790 20 0 DCADMM CCN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)C(C)(C)C ZINC001578127710 1164930362 /nfs/dbraw/zinc/93/03/62/1164930362.db2.gz GGJCNFJDQTXFAM-UHFFFAOYSA-N -1 1 318.385 0.385 20 0 DCADMM CCOC(=O)c1cnn(C[C@H]2CCCC[C@@H]2O)c1-c1nn[n-]n1 ZINC001578254346 1164965269 /nfs/dbraw/zinc/96/52/69/1164965269.db2.gz LCIUMFVDYJOPNR-KOLCDFICSA-N -1 1 320.353 0.791 20 0 DCADMM CCOC(=O)c1cc(CNc2ccnc(-c3nnn[n-]3)c2)on1 ZINC001578252314 1164965471 /nfs/dbraw/zinc/96/54/71/1164965471.db2.gz UMFSAFVHGDRJMF-UHFFFAOYSA-N -1 1 315.293 0.460 20 0 DCADMM CCOC(=O)c1cc(CNc2ccnc(-c3nn[n-]n3)c2)on1 ZINC001578252314 1164965475 /nfs/dbraw/zinc/96/54/75/1164965475.db2.gz UMFSAFVHGDRJMF-UHFFFAOYSA-N -1 1 315.293 0.460 20 0 DCADMM CC[C@@H]1[C@@H](NC(C)=O)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001578470644 1165026968 /nfs/dbraw/zinc/02/69/68/1165026968.db2.gz FSKSUOGVDQUPBR-CMPLNLGQSA-N -1 1 316.369 0.459 20 0 DCADMM CC[C@@H]1[C@@H](NC(C)=O)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001578470644 1165026972 /nfs/dbraw/zinc/02/69/72/1165026972.db2.gz FSKSUOGVDQUPBR-CMPLNLGQSA-N -1 1 316.369 0.459 20 0 DCADMM CCc1nc(NCC2CC(NC(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001578655522 1165082736 /nfs/dbraw/zinc/08/27/36/1165082736.db2.gz QFCDBFHHKZNUQL-UHFFFAOYSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(NCC2CC(NC(C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001578655522 1165082739 /nfs/dbraw/zinc/08/27/39/1165082739.db2.gz QFCDBFHHKZNUQL-UHFFFAOYSA-N -1 1 316.369 0.546 20 0 DCADMM CN(C(=O)c1ccn(C)c(=O)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578931370 1165162370 /nfs/dbraw/zinc/16/23/70/1165162370.db2.gz RQJQDCUSGQGTKD-UHFFFAOYSA-N -1 1 311.305 0.237 20 0 DCADMM CN(C(=O)c1ccn(C)c(=O)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578931370 1165162372 /nfs/dbraw/zinc/16/23/72/1165162372.db2.gz RQJQDCUSGQGTKD-UHFFFAOYSA-N -1 1 311.305 0.237 20 0 DCADMM CN(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)C1(C)CC1 ZINC001579147938 1165223758 /nfs/dbraw/zinc/22/37/58/1165223758.db2.gz AKRUJVSATYRTRL-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)C(C)(C)C ZINC001579152218 1165225764 /nfs/dbraw/zinc/22/57/64/1165225764.db2.gz GTSWKJLYHVBSKT-UHFFFAOYSA-N -1 1 318.385 0.597 20 0 DCADMM CN(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)C(C)(C)C ZINC001579152218 1165225768 /nfs/dbraw/zinc/22/57/68/1165225768.db2.gz GTSWKJLYHVBSKT-UHFFFAOYSA-N -1 1 318.385 0.597 20 0 DCADMM CN(CCNC(=O)C1=CCCC1)c1cncc(-c2nnn[n-]2)n1 ZINC001579167521 1165228948 /nfs/dbraw/zinc/22/89/48/1165228948.db2.gz ZVPRHINUPHJANU-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CN(CCNC(=O)C1=CCCC1)c1cncc(-c2nn[n-]n2)n1 ZINC001579167521 1165228957 /nfs/dbraw/zinc/22/89/57/1165228957.db2.gz ZVPRHINUPHJANU-UHFFFAOYSA-N -1 1 314.353 0.319 20 0 DCADMM CN(CCNC(=O)CC1(C)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001579174338 1165229579 /nfs/dbraw/zinc/22/95/79/1165229579.db2.gz SKXUZQKFXVRUPQ-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)C1=CCCC1 ZINC001579211048 1165238426 /nfs/dbraw/zinc/23/84/26/1165238426.db2.gz LPISLEWDSCUZJL-UHFFFAOYSA-N -1 1 314.353 0.637 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)C1=CCCC1 ZINC001579211048 1165238432 /nfs/dbraw/zinc/23/84/32/1165238432.db2.gz LPISLEWDSCUZJL-UHFFFAOYSA-N -1 1 314.353 0.637 20 0 DCADMM CN(Cc1ccccc1)C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001579258216 1165251189 /nfs/dbraw/zinc/25/11/89/1165251189.db2.gz VCLMOQZWOHOIEZ-UHFFFAOYSA-N -1 1 324.344 0.687 20 0 DCADMM COC(=O)C[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001579451094 1165313686 /nfs/dbraw/zinc/31/36/86/1165313686.db2.gz ISXCRWVEWZGNIN-PSASIEDQSA-N -1 1 317.353 0.601 20 0 DCADMM COC(=O)C[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001579451094 1165313695 /nfs/dbraw/zinc/31/36/95/1165313695.db2.gz ISXCRWVEWZGNIN-PSASIEDQSA-N -1 1 317.353 0.601 20 0 DCADMM COC(=O)C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H]1C ZINC001579451126 1165313909 /nfs/dbraw/zinc/31/39/09/1165313909.db2.gz KHEYHSDCTHGOKP-RKDXNWHRSA-N -1 1 319.321 0.731 20 0 DCADMM COC(=O)C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H]1C ZINC001579451126 1165313920 /nfs/dbraw/zinc/31/39/20/1165313920.db2.gz KHEYHSDCTHGOKP-RKDXNWHRSA-N -1 1 319.321 0.731 20 0 DCADMM COC(=O)N(C)CCCC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001579453324 1165315215 /nfs/dbraw/zinc/31/52/15/1165315215.db2.gz REWWQBQDZMFHPN-UHFFFAOYSA-N -1 1 322.329 0.017 20 0 DCADMM COC(=O)N(C)CCCC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001579453324 1165315223 /nfs/dbraw/zinc/31/52/23/1165315223.db2.gz REWWQBQDZMFHPN-UHFFFAOYSA-N -1 1 322.329 0.017 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001579470202 1165319946 /nfs/dbraw/zinc/31/99/46/1165319946.db2.gz USVLOIVYOZYZKR-PSASIEDQSA-N -1 1 316.321 0.143 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001579470202 1165319956 /nfs/dbraw/zinc/31/99/56/1165319956.db2.gz USVLOIVYOZYZKR-PSASIEDQSA-N -1 1 316.321 0.143 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccsc2-c2nnn[n-]2)C[C@H]1C ZINC001579470224 1165320255 /nfs/dbraw/zinc/32/02/55/1165320255.db2.gz VQBPXPIIDPANSJ-VXNVDRBHSA-N -1 1 321.362 0.809 20 0 DCADMM COC(=O)[C@@H]1CN(C(=O)c2ccsc2-c2nn[n-]n2)C[C@H]1C ZINC001579470224 1165320260 /nfs/dbraw/zinc/32/02/60/1165320260.db2.gz VQBPXPIIDPANSJ-VXNVDRBHSA-N -1 1 321.362 0.809 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001579474903 1165323920 /nfs/dbraw/zinc/32/39/20/1165323920.db2.gz HLBIWCGYJUIREO-YGRLFVJLSA-N -1 1 315.337 0.579 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001579474903 1165323931 /nfs/dbraw/zinc/32/39/31/1165323931.db2.gz HLBIWCGYJUIREO-YGRLFVJLSA-N -1 1 315.337 0.579 20 0 DCADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)nc1 ZINC001579484117 1165327670 /nfs/dbraw/zinc/32/76/70/1165327670.db2.gz VUOSXFKXWWERJX-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM CO[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001579529595 1165338089 /nfs/dbraw/zinc/33/80/89/1165338089.db2.gz BOTKAXQYFZVTQR-LLVKDONJSA-N -1 1 314.309 0.321 20 0 DCADMM CO[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001579529595 1165338097 /nfs/dbraw/zinc/33/80/97/1165338097.db2.gz BOTKAXQYFZVTQR-LLVKDONJSA-N -1 1 314.309 0.321 20 0 DCADMM CO[C@H]1CC[C@H](NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001579613358 1165359731 /nfs/dbraw/zinc/35/97/31/1165359731.db2.gz UCTOCNLHEOJOJK-IUCAKERBSA-N -1 1 318.337 0.573 20 0 DCADMM COC[C@@H](C)S(=O)(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579697803 1165378988 /nfs/dbraw/zinc/37/89/88/1165378988.db2.gz RFCWXMLTELBHDZ-SSDOTTSWSA-N -1 1 317.396 0.383 20 0 DCADMM COc1nsc(OC)c1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001580151383 1165520508 /nfs/dbraw/zinc/52/05/08/1165520508.db2.gz NATZYLJUFVISNW-UHFFFAOYSA-N -1 1 322.310 0.316 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)Nn2cccn2)cc1-c1nn[n-]n1 ZINC001580229759 1165542964 /nfs/dbraw/zinc/54/29/64/1165542964.db2.gz BCHJJJBPWWQJSG-UHFFFAOYSA-N -1 1 318.322 0.270 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1(C)CC1 ZINC001580285841 1165558000 /nfs/dbraw/zinc/55/80/00/1165558000.db2.gz NXWNWSKQEZZIET-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1(C)CC1 ZINC001580285841 1165558012 /nfs/dbraw/zinc/55/80/12/1165558012.db2.gz NXWNWSKQEZZIET-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001580370096 1165588207 /nfs/dbraw/zinc/58/82/07/1165588207.db2.gz WFHBVYKKNHWFOD-OPRDCNLKSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CC12CC2 ZINC001580418882 1165598094 /nfs/dbraw/zinc/59/80/94/1165598094.db2.gz SQMVRUFKSFUJNZ-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CC12CC2 ZINC001580418882 1165598103 /nfs/dbraw/zinc/59/81/03/1165598103.db2.gz SQMVRUFKSFUJNZ-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1C ZINC001580429259 1165601267 /nfs/dbraw/zinc/60/12/67/1165601267.db2.gz BVDCZWVJPIXPDN-IWSPIJDZSA-N -1 1 302.342 0.229 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1C ZINC001580429259 1165601271 /nfs/dbraw/zinc/60/12/71/1165601271.db2.gz BVDCZWVJPIXPDN-IWSPIJDZSA-N -1 1 302.342 0.229 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001580461929 1165609872 /nfs/dbraw/zinc/60/98/72/1165609872.db2.gz PLSNHEXIMMXPOK-UHFFFAOYSA-N -1 1 320.700 0.905 20 0 DCADMM Nc1ncc(CCC(=O)N2CCC[C@H](Cc3nn[n-]n3)C2)s1 ZINC001580471267 1165612623 /nfs/dbraw/zinc/61/26/23/1165612623.db2.gz GRRJPMXGIFKOAL-SECBINFHSA-N -1 1 321.410 0.652 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1(C)CCOCC1 ZINC001580602171 1165653427 /nfs/dbraw/zinc/65/34/27/1165653427.db2.gz NPAVPJZUJWPMAW-UHFFFAOYSA-N -1 1 318.337 0.575 20 0 DCADMM Cc1ccc(C(N)=O)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001581175621 1165793196 /nfs/dbraw/zinc/79/31/96/1165793196.db2.gz BFJDPDPCYMMMHU-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccc(C(N)=O)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001581175621 1165793203 /nfs/dbraw/zinc/79/32/03/1165793203.db2.gz BFJDPDPCYMMMHU-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1cccn2cc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cc12 ZINC001581261340 1165806574 /nfs/dbraw/zinc/80/65/74/1165806574.db2.gz CJZYEZPTMBRUBP-UHFFFAOYSA-N -1 1 308.305 0.895 20 0 DCADMM Cc1nnc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)s1 ZINC001581611002 1165848872 /nfs/dbraw/zinc/84/88/72/1165848872.db2.gz BEBKGWNRYHCUQL-UHFFFAOYSA-N -1 1 315.362 0.725 20 0 DCADMM Cc1nsc(N(C)CCNC(=O)CC2CC2)c1-c1nn[n-]n1 ZINC001581663927 1165856733 /nfs/dbraw/zinc/85/67/33/1165856733.db2.gz FJUWUOIMBQWCCC-UHFFFAOYSA-N -1 1 321.410 0.984 20 0 DCADMM Cc1nsc(NC(=O)N[C@@]2(C)CCNC2=O)c1-c1nnn[n-]1 ZINC001581685570 1165859497 /nfs/dbraw/zinc/85/94/97/1165859497.db2.gz ORWCSEJYNNZVKY-NSHDSACASA-N -1 1 322.354 0.032 20 0 DCADMM Cc1nsc(NC(=O)N[C@@]2(C)CCNC2=O)c1-c1nn[n-]n1 ZINC001581685570 1165859506 /nfs/dbraw/zinc/85/95/06/1165859506.db2.gz ORWCSEJYNNZVKY-NSHDSACASA-N -1 1 322.354 0.032 20 0 DCADMM Cc1nsc(NC(=O)N[C@]2(C)CCNC2=O)c1-c1nnn[n-]1 ZINC001581685569 1165859610 /nfs/dbraw/zinc/85/96/10/1165859610.db2.gz ORWCSEJYNNZVKY-LLVKDONJSA-N -1 1 322.354 0.032 20 0 DCADMM Cc1nsc(NC(=O)N[C@]2(C)CCNC2=O)c1-c1nn[n-]n1 ZINC001581685569 1165859623 /nfs/dbraw/zinc/85/96/23/1165859623.db2.gz ORWCSEJYNNZVKY-LLVKDONJSA-N -1 1 322.354 0.032 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2COC(=O)C2)c1-c1nnn[n-]1 ZINC001581686903 1165859820 /nfs/dbraw/zinc/85/98/20/1165859820.db2.gz UQRHDHYXNOIMRA-YFKPBYRVSA-N -1 1 309.311 0.069 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2COC(=O)C2)c1-c1nn[n-]n1 ZINC001581686903 1165859827 /nfs/dbraw/zinc/85/98/27/1165859827.db2.gz UQRHDHYXNOIMRA-YFKPBYRVSA-N -1 1 309.311 0.069 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@](O)(C(F)F)C1 ZINC001581726898 1165862338 /nfs/dbraw/zinc/86/23/38/1165862338.db2.gz ZIPMIQCDADOSCC-GFCCVEGCSA-N -1 1 313.264 0.610 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@](O)(C(F)F)C1 ZINC001581726898 1165862344 /nfs/dbraw/zinc/86/23/44/1165862344.db2.gz ZIPMIQCDADOSCC-GFCCVEGCSA-N -1 1 313.264 0.610 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cc(=O)c(O)co1 ZINC001581727431 1165862725 /nfs/dbraw/zinc/86/27/25/1165862725.db2.gz XEBDIHBONRDZKP-UHFFFAOYSA-N -1 1 317.261 0.357 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cc(=O)c(O)co1 ZINC001581727431 1165862738 /nfs/dbraw/zinc/86/27/38/1165862738.db2.gz XEBDIHBONRDZKP-UHFFFAOYSA-N -1 1 317.261 0.357 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCn3ccnc32)n1 ZINC001581754419 1165866951 /nfs/dbraw/zinc/86/69/51/1165866951.db2.gz SORWXJJZKKSILY-MRVPVSSYSA-N -1 1 314.313 0.063 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCn3ccnc32)n1 ZINC001581754419 1165866958 /nfs/dbraw/zinc/86/69/58/1165866958.db2.gz SORWXJJZKKSILY-MRVPVSSYSA-N -1 1 314.313 0.063 20 0 DCADMM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001581888406 1165904514 /nfs/dbraw/zinc/90/45/14/1165904514.db2.gz IQFJLHRSTDYEMD-NMLBEHRDSA-N -1 1 316.321 0.186 20 0 DCADMM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001581888406 1165904518 /nfs/dbraw/zinc/90/45/18/1165904518.db2.gz IQFJLHRSTDYEMD-NMLBEHRDSA-N -1 1 316.321 0.186 20 0 DCADMM O=C(CCCF)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001582046597 1165944172 /nfs/dbraw/zinc/94/41/72/1165944172.db2.gz QBRYXPYMOWNIEH-KYZUINATSA-N -1 1 320.332 0.466 20 0 DCADMM O=C(CCCF)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001582046597 1165944177 /nfs/dbraw/zinc/94/41/77/1165944177.db2.gz QBRYXPYMOWNIEH-KYZUINATSA-N -1 1 320.332 0.466 20 0 DCADMM O=C(C[C@@H]1CCCC[C@H]1O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582133438 1165963788 /nfs/dbraw/zinc/96/37/88/1165963788.db2.gz FVXAHSFISXPTEG-WCQYABFASA-N -1 1 316.365 0.819 20 0 DCADMM O=C(C[C@@H]1CCCC[C@H]1O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582133438 1165963796 /nfs/dbraw/zinc/96/37/96/1165963796.db2.gz FVXAHSFISXPTEG-WCQYABFASA-N -1 1 316.365 0.819 20 0 DCADMM O=C(COc1ccsn1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582132761 1165964295 /nfs/dbraw/zinc/96/42/95/1165964295.db2.gz YPYWKQHKHFHJTN-UHFFFAOYSA-N -1 1 317.334 0.413 20 0 DCADMM O=C(COc1ccsn1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582132761 1165964296 /nfs/dbraw/zinc/96/42/96/1165964296.db2.gz YPYWKQHKHFHJTN-UHFFFAOYSA-N -1 1 317.334 0.413 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1cccc(F)n1 ZINC001582138345 1165967175 /nfs/dbraw/zinc/96/71/75/1165967175.db2.gz AFQUVOPUUPLADD-UHFFFAOYSA-N -1 1 313.296 0.655 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1cccc(F)n1 ZINC001582138345 1165967177 /nfs/dbraw/zinc/96/71/77/1165967177.db2.gz AFQUVOPUUPLADD-UHFFFAOYSA-N -1 1 313.296 0.655 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1ccc(=O)[nH]c1 ZINC001582138722 1165967756 /nfs/dbraw/zinc/96/77/56/1165967756.db2.gz KQGPSAKQORAYDP-UHFFFAOYSA-N -1 1 311.305 0.221 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1ccc(=O)[nH]c1 ZINC001582138722 1165967761 /nfs/dbraw/zinc/96/77/61/1165967761.db2.gz KQGPSAKQORAYDP-UHFFFAOYSA-N -1 1 311.305 0.221 20 0 DCADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001582298469 1165997847 /nfs/dbraw/zinc/99/78/47/1165997847.db2.gz INZFKLVFNMSYRQ-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001582321898 1166001837 /nfs/dbraw/zinc/00/18/37/1166001837.db2.gz IVIFEEFTHRMHLM-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001582321898 1166001843 /nfs/dbraw/zinc/00/18/43/1166001843.db2.gz IVIFEEFTHRMHLM-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCc1cccnn1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582554867 1166041256 /nfs/dbraw/zinc/04/12/56/1166041256.db2.gz PIFJZYOCIIKSQI-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1cccnn1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582554867 1166041266 /nfs/dbraw/zinc/04/12/66/1166041266.db2.gz PIFJZYOCIIKSQI-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(OC(F)F)cn1 ZINC001582650374 1166061946 /nfs/dbraw/zinc/06/19/46/1166061946.db2.gz QJZABNZCYJTUAA-UHFFFAOYSA-N -1 1 322.235 0.839 20 0 DCADMM O=C1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1c1ccccc1 ZINC001582755766 1166076670 /nfs/dbraw/zinc/07/66/70/1166076670.db2.gz FNEBXQCRXRXGPE-NSHDSACASA-N -1 1 322.332 0.874 20 0 DCADMM O=C1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1c1ccccc1 ZINC001582755766 1166076676 /nfs/dbraw/zinc/07/66/76/1166076676.db2.gz FNEBXQCRXRXGPE-NSHDSACASA-N -1 1 322.332 0.874 20 0 DCADMM O=S(=O)(NCc1ccc(-c2nn[n-]n2)s1)c1ccccn1 ZINC001582796219 1166084535 /nfs/dbraw/zinc/08/45/35/1166084535.db2.gz GHSCXAHZPFUURE-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@H]1COc2ccccc2O1 ZINC001582806334 1166087111 /nfs/dbraw/zinc/08/71/11/1166087111.db2.gz NLBAMELBDVWHGI-NSHDSACASA-N -1 1 311.301 0.868 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1c(F)cccc1Cl ZINC001582807120 1166089411 /nfs/dbraw/zinc/08/94/11/1166089411.db2.gz WFLSMYXANNTIQC-UHFFFAOYSA-N -1 1 322.687 0.970 20 0 DCADMM O[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1Cc1ccccc1 ZINC001582813427 1166094951 /nfs/dbraw/zinc/09/49/51/1166094951.db2.gz HUSZBNYKSBDAES-TZMCWYRMSA-N -1 1 323.360 0.697 20 0 DCADMM O[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1Cc1ccccc1 ZINC001582813427 1166094954 /nfs/dbraw/zinc/09/49/54/1166094954.db2.gz HUSZBNYKSBDAES-TZMCWYRMSA-N -1 1 323.360 0.697 20 0 DCADMM CCOC(=O)c1nc([C@@H](C)NC(=O)Cc2ccnc(F)c2)n[n-]1 ZINC001584176731 1166312489 /nfs/dbraw/zinc/31/24/89/1166312489.db2.gz UQCQDHGIKDZUJG-MRVPVSSYSA-N -1 1 321.312 0.935 20 0 DCADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)Cc2ccnc(F)c2)[n-]1 ZINC001584176731 1166312497 /nfs/dbraw/zinc/31/24/97/1166312497.db2.gz UQCQDHGIKDZUJG-MRVPVSSYSA-N -1 1 321.312 0.935 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)Cc2ccnc(F)c2)n1 ZINC001584176731 1166312509 /nfs/dbraw/zinc/31/25/09/1166312509.db2.gz UQCQDHGIKDZUJG-MRVPVSSYSA-N -1 1 321.312 0.935 20 0 DCADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1cc(=O)cc[nH]1 ZINC001586308554 1166494047 /nfs/dbraw/zinc/49/40/47/1166494047.db2.gz CXRGRECCZKCSNN-UHFFFAOYSA-N -1 1 312.289 0.719 20 0 DCADMM CC(=O)N1CCC(Nc2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC001588812622 1166594206 /nfs/dbraw/zinc/59/42/06/1166594206.db2.gz NQYGWNCNQRTSDW-UHFFFAOYSA-N -1 1 301.354 0.993 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001588812019 1166595107 /nfs/dbraw/zinc/59/51/07/1166595107.db2.gz GPUUOBISHUAQBI-PSASIEDQSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001588812019 1166595113 /nfs/dbraw/zinc/59/51/13/1166595113.db2.gz GPUUOBISHUAQBI-PSASIEDQSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001588811585 1166595323 /nfs/dbraw/zinc/59/53/23/1166595323.db2.gz DRDHZINMNIYBTN-SCZZXKLOSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001588811585 1166595330 /nfs/dbraw/zinc/59/53/30/1166595330.db2.gz DRDHZINMNIYBTN-SCZZXKLOSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588815867 1166597683 /nfs/dbraw/zinc/59/76/83/1166597683.db2.gz GQVXJIAHEZMTJL-SKDRFNHKSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588815867 1166597685 /nfs/dbraw/zinc/59/76/85/1166597685.db2.gz GQVXJIAHEZMTJL-SKDRFNHKSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588818587 1166598350 /nfs/dbraw/zinc/59/83/50/1166598350.db2.gz KJEGBBIXUZPPJR-JTQLQIEISA-N -1 1 302.342 0.388 20 0 DCADMM CC(=O)N1CCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588818587 1166598356 /nfs/dbraw/zinc/59/83/56/1166598356.db2.gz KJEGBBIXUZPPJR-JTQLQIEISA-N -1 1 302.342 0.388 20 0 DCADMM CC(=O)N1CCC[C@@H]1COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001588822083 1166599879 /nfs/dbraw/zinc/59/98/79/1166599879.db2.gz XNPDVDWBVIBHBM-SNVBAGLBSA-N -1 1 305.294 0.627 20 0 DCADMM CC(=O)N1CCC[C@@H]1COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001588822083 1166599885 /nfs/dbraw/zinc/59/98/85/1166599885.db2.gz XNPDVDWBVIBHBM-SNVBAGLBSA-N -1 1 305.294 0.627 20 0 DCADMM CC(=O)N1CCC[C@@H]1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588821916 1166600873 /nfs/dbraw/zinc/60/08/73/1166600873.db2.gz LBAXJJMNWKACKP-SNVBAGLBSA-N -1 1 316.321 0.429 20 0 DCADMM CC(=O)N1CCC[C@@H]1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588821916 1166600875 /nfs/dbraw/zinc/60/08/75/1166600875.db2.gz LBAXJJMNWKACKP-SNVBAGLBSA-N -1 1 316.321 0.429 20 0 DCADMM CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001588841939 1166607226 /nfs/dbraw/zinc/60/72/26/1166607226.db2.gz SPWBIRSIAIFING-PSASIEDQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001588841939 1166607229 /nfs/dbraw/zinc/60/72/29/1166607229.db2.gz SPWBIRSIAIFING-PSASIEDQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H](C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)C(C)(C)C ZINC001588869313 1166613170 /nfs/dbraw/zinc/61/31/70/1166613170.db2.gz MSPBQQWQGMFHMN-SECBINFHSA-N -1 1 320.357 0.388 20 0 DCADMM C[C@@H](C(=O)N1CCC2(CCC2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951896 1166621560 /nfs/dbraw/zinc/62/15/60/1166621560.db2.gz MCHCEBKWVLSSRW-JTQLQIEISA-N -1 1 316.369 0.812 20 0 DCADMM C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001588965663 1166622461 /nfs/dbraw/zinc/62/24/61/1166622461.db2.gz HWAUNDOKSBAOHY-KXUCPTDWSA-N -1 1 304.358 0.809 20 0 DCADMM C[C@@H](C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588992706 1166625427 /nfs/dbraw/zinc/62/54/27/1166625427.db2.gz ZBXSIUPNGUGNFZ-VIFPVBQESA-N -1 1 318.385 0.867 20 0 DCADMM C[C@@H](C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588992706 1166625434 /nfs/dbraw/zinc/62/54/34/1166625434.db2.gz ZBXSIUPNGUGNFZ-VIFPVBQESA-N -1 1 318.385 0.867 20 0 DCADMM C[C@H](C(=O)NCCOC1CCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588992735 1166627343 /nfs/dbraw/zinc/62/73/43/1166627343.db2.gz ZYTUZSRKDSIMDJ-SECBINFHSA-N -1 1 320.357 0.095 20 0 DCADMM CC(C)(C)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1=O ZINC001589137333 1166636814 /nfs/dbraw/zinc/63/68/14/1166636814.db2.gz YRKYSMJGLTZEOG-QMMMGPOBSA-N -1 1 318.337 0.589 20 0 DCADMM CC(C)(C)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1=O ZINC001589137333 1166636816 /nfs/dbraw/zinc/63/68/16/1166636816.db2.gz YRKYSMJGLTZEOG-QMMMGPOBSA-N -1 1 318.337 0.589 20 0 DCADMM CC(C)(C)n1nnc(CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001589264680 1166641974 /nfs/dbraw/zinc/64/19/74/1166641974.db2.gz ZGGUFOIITDXMTC-UHFFFAOYSA-N -1 1 301.318 0.010 20 0 DCADMM CC(C)(C)n1nnc(CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001589264680 1166641977 /nfs/dbraw/zinc/64/19/77/1166641977.db2.gz ZGGUFOIITDXMTC-UHFFFAOYSA-N -1 1 301.318 0.010 20 0 DCADMM CC(C)(CNc1ncncc1-c1nn[n-]n1)[C@]1(O)CCCOC1 ZINC001589291889 1166645244 /nfs/dbraw/zinc/64/52/44/1166645244.db2.gz CTXNYLARSCJDKM-AWEZNQCLSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)=CCNC(=O)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589379060 1166653237 /nfs/dbraw/zinc/65/32/37/1166653237.db2.gz BRHLYPJWJQPZTH-UHFFFAOYSA-N -1 1 321.366 0.022 20 0 DCADMM CC(C)=CCNC(=O)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589379060 1166653246 /nfs/dbraw/zinc/65/32/46/1166653246.db2.gz BRHLYPJWJQPZTH-UHFFFAOYSA-N -1 1 321.366 0.022 20 0 DCADMM CC(C)[C@H](C)C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589432518 1166659335 /nfs/dbraw/zinc/65/93/35/1166659335.db2.gz HTQYABCSYTYIQI-VIFPVBQESA-N -1 1 304.358 0.477 20 0 DCADMM CC(C)[C@H](C)C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589432518 1166659339 /nfs/dbraw/zinc/65/93/39/1166659339.db2.gz HTQYABCSYTYIQI-VIFPVBQESA-N -1 1 304.358 0.477 20 0 DCADMM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccnc(CN)c2)n1 ZINC001589678161 1166671723 /nfs/dbraw/zinc/67/17/23/1166671723.db2.gz WNDSRAMOOZWJLF-UHFFFAOYSA-N -1 1 303.322 0.809 20 0 DCADMM CC(C)OC(=O)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589735802 1166680561 /nfs/dbraw/zinc/68/05/61/1166680561.db2.gz GUEKLWPRKPUHKQ-QMMMGPOBSA-N -1 1 304.310 0.332 20 0 DCADMM CC(C)OC(=O)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589735802 1166680569 /nfs/dbraw/zinc/68/05/69/1166680569.db2.gz GUEKLWPRKPUHKQ-QMMMGPOBSA-N -1 1 304.310 0.332 20 0 DCADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)O ZINC001589763880 1166684268 /nfs/dbraw/zinc/68/42/68/1166684268.db2.gz FFJYUYSWCGHEJE-NSHDSACASA-N -1 1 304.354 0.787 20 0 DCADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)O ZINC001589763880 1166684274 /nfs/dbraw/zinc/68/42/74/1166684274.db2.gz FFJYUYSWCGHEJE-NSHDSACASA-N -1 1 304.354 0.787 20 0 DCADMM CC(C)n1ccc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001589782656 1166684838 /nfs/dbraw/zinc/68/48/38/1166684838.db2.gz SYNJWWBTBZQHLA-QMMMGPOBSA-N -1 1 316.329 0.435 20 0 DCADMM CC(C)[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(=O)N1CCCC1 ZINC001589765653 1166686117 /nfs/dbraw/zinc/68/61/17/1166686117.db2.gz KQXMHEWOUMEWJI-NSHDSACASA-N -1 1 316.369 0.138 20 0 DCADMM C[C@H](C1CC1)N(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC001589787557 1166688321 /nfs/dbraw/zinc/68/83/21/1166688321.db2.gz UJGAIVRVSACBAM-MRVPVSSYSA-N -1 1 302.342 0.248 20 0 DCADMM C[C@@H](CC[S@@](C)=O)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589834868 1166694769 /nfs/dbraw/zinc/69/47/69/1166694769.db2.gz NCELYUUOBMKPOE-QSIZCVBASA-N -1 1 323.382 0.540 20 0 DCADMM C[C@@H](CC[S@@](C)=O)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589834868 1166694772 /nfs/dbraw/zinc/69/47/72/1166694772.db2.gz NCELYUUOBMKPOE-QSIZCVBASA-N -1 1 323.382 0.540 20 0 DCADMM C[C@@H](CN(C)C(=O)c1sccc1-c1nn[nH]n1)c1nn[n-]n1 ZINC001589842493 1166696438 /nfs/dbraw/zinc/69/64/38/1166696438.db2.gz XVCICFYLVDCCSN-LURJTMIESA-N -1 1 319.354 0.317 20 0 DCADMM C[C@H](CO)Cn1cc(Br)cc(-c2nn[n-]n2)c1=O ZINC001589882880 1166702565 /nfs/dbraw/zinc/70/25/65/1166702565.db2.gz UKSPAMMIDQDGPW-LURJTMIESA-N -1 1 314.143 0.419 20 0 DCADMM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1(CO)CC1 ZINC001589936934 1166724437 /nfs/dbraw/zinc/72/44/37/1166724437.db2.gz RTKWSCBRCHWFNI-QMMMGPOBSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1(CO)CC1 ZINC001589936934 1166724440 /nfs/dbraw/zinc/72/44/40/1166724440.db2.gz RTKWSCBRCHWFNI-QMMMGPOBSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@@H](O)[C@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001589994460 1166741540 /nfs/dbraw/zinc/74/15/40/1166741540.db2.gz GMYWBKQBJSKSQS-LDYMZIIASA-N -1 1 317.353 0.120 20 0 DCADMM C[C@@H](O)[C@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001589994460 1166741544 /nfs/dbraw/zinc/74/15/44/1166741544.db2.gz GMYWBKQBJSKSQS-LDYMZIIASA-N -1 1 317.353 0.120 20 0 DCADMM C[C@H](O)c1ccc(NCCn2cnc(-c3nn[n-]n3)n2)nc1 ZINC001590003827 1166751435 /nfs/dbraw/zinc/75/14/35/1166751435.db2.gz QNFVWWYJVQKDHU-QMMMGPOBSA-N -1 1 301.314 0.019 20 0 DCADMM C[C@H](c1nc(C2CCOCC2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590054004 1166761523 /nfs/dbraw/zinc/76/15/23/1166761523.db2.gz PDPPRMXSKLQEHP-SSDOTTSWSA-N -1 1 317.313 0.345 20 0 DCADMM CC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CCS1(=O)=O ZINC001590100061 1166773849 /nfs/dbraw/zinc/77/38/49/1166773849.db2.gz OSUVRACIRQRWQA-UHFFFAOYSA-N -1 1 323.382 0.060 20 0 DCADMM CC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CCS1(=O)=O ZINC001590100061 1166773851 /nfs/dbraw/zinc/77/38/51/1166773851.db2.gz OSUVRACIRQRWQA-UHFFFAOYSA-N -1 1 323.382 0.060 20 0 DCADMM C[C@]1(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCOC1 ZINC001590132610 1166784265 /nfs/dbraw/zinc/78/42/65/1166784265.db2.gz SUUQRWOZBUWACC-CYBMUJFWSA-N -1 1 303.326 0.810 20 0 DCADMM C[C@]1(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCOC1 ZINC001590132610 1166784272 /nfs/dbraw/zinc/78/42/72/1166784272.db2.gz SUUQRWOZBUWACC-CYBMUJFWSA-N -1 1 303.326 0.810 20 0 DCADMM CC1=C(C)CN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590160128 1166793251 /nfs/dbraw/zinc/79/32/51/1166793251.db2.gz QQCJIABERROIKR-JTQLQIEISA-N -1 1 302.342 0.588 20 0 DCADMM C[C@@H]1[C@H](CO)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590168245 1166799056 /nfs/dbraw/zinc/79/90/56/1166799056.db2.gz JWEHCJDYQDQHEU-KOLCDFICSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@@H]1[C@H](CO)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590168245 1166799059 /nfs/dbraw/zinc/79/90/59/1166799059.db2.gz JWEHCJDYQDQHEU-KOLCDFICSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C(=O)O1 ZINC001590198221 1166810376 /nfs/dbraw/zinc/81/03/76/1166810376.db2.gz AUGVEPDLBDBVLI-SVRRBLITSA-N -1 1 303.282 0.087 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C(=O)O1 ZINC001590198221 1166810378 /nfs/dbraw/zinc/81/03/78/1166810378.db2.gz AUGVEPDLBDBVLI-SVRRBLITSA-N -1 1 303.282 0.087 20 0 DCADMM C[C@H]1C[C@H]1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590221514 1166817839 /nfs/dbraw/zinc/81/78/39/1166817839.db2.gz XWTSRPJKGJTZHN-IONNQARKSA-N -1 1 300.322 0.929 20 0 DCADMM C[C@H]1CCC[C@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590242336 1166827576 /nfs/dbraw/zinc/82/75/76/1166827576.db2.gz KIZAADJKHOXYNH-UWVGGRQHSA-N -1 1 304.358 0.495 20 0 DCADMM C[C@@H](C(=O)N1C[C@H](C)CC1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001590283353 1166839412 /nfs/dbraw/zinc/83/94/12/1166839412.db2.gz HFIKBEZPWZLNGW-BDAKNGLRSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@@H]1CCc2ccccc2N1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590283580 1166840023 /nfs/dbraw/zinc/84/00/23/1166840023.db2.gz UXZNEPOVRZEZMB-SNVBAGLBSA-N -1 1 324.348 0.826 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@H](C)[C@H]1O ZINC001590292725 1166842370 /nfs/dbraw/zinc/84/23/70/1166842370.db2.gz OYVXIEMLHMHPKA-MSRIBSCDSA-N -1 1 316.365 0.280 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@H](C)[C@H]1O ZINC001590292725 1166842378 /nfs/dbraw/zinc/84/23/78/1166842378.db2.gz OYVXIEMLHMHPKA-MSRIBSCDSA-N -1 1 316.365 0.280 20 0 DCADMM C[C@H]1OCC[C@@]12CN(c1cncc(-c3nnn[n-]3)n1)C[C@@H](C)O2 ZINC001590317317 1166862096 /nfs/dbraw/zinc/86/20/96/1166862096.db2.gz XPBVNSKIVMISKX-GPCCPHFNSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@H]1OCC[C@@]12CN(c1cncc(-c3nn[n-]n3)n1)C[C@@H](C)O2 ZINC001590317317 1166862098 /nfs/dbraw/zinc/86/20/98/1166862098.db2.gz XPBVNSKIVMISKX-GPCCPHFNSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@]2(CCOC2)O1 ZINC001590317198 1166863215 /nfs/dbraw/zinc/86/32/15/1166863215.db2.gz ZFBREURSTRAOCT-RNCFNFMXSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590323422 1166866718 /nfs/dbraw/zinc/86/67/18/1166866718.db2.gz LLNDNIRQIZUKPB-SFYZADRCSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590323422 1166866722 /nfs/dbraw/zinc/86/67/22/1166866722.db2.gz LLNDNIRQIZUKPB-SFYZADRCSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1COC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590325566 1166867423 /nfs/dbraw/zinc/86/74/23/1166867423.db2.gz QTZCELNJGHVUJS-IONNQARKSA-N -1 1 308.367 0.762 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590350249 1166878495 /nfs/dbraw/zinc/87/84/95/1166878495.db2.gz PEZDXOIXTOFNPF-PMXLAWOHSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(\C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590350249 1166878501 /nfs/dbraw/zinc/87/85/01/1166878501.db2.gz PEZDXOIXTOFNPF-PMXLAWOHSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001590353489 1166881709 /nfs/dbraw/zinc/88/17/09/1166881709.db2.gz JFFRIKQEKIHZFJ-CYNRKNSPSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001590353489 1166881716 /nfs/dbraw/zinc/88/17/16/1166881716.db2.gz JFFRIKQEKIHZFJ-CYNRKNSPSA-N -1 1 316.369 0.564 20 0 DCADMM CCC(=O)N1CC[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590360592 1166883815 /nfs/dbraw/zinc/88/38/15/1166883815.db2.gz AAHBTNGZMBSDJK-MRVPVSSYSA-N -1 1 320.378 0.669 20 0 DCADMM CCC(=O)N1CC[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590360592 1166883831 /nfs/dbraw/zinc/88/38/31/1166883831.db2.gz AAHBTNGZMBSDJK-MRVPVSSYSA-N -1 1 320.378 0.669 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590361564 1166884987 /nfs/dbraw/zinc/88/49/87/1166884987.db2.gz JKXKNHQFZMHTGP-SECBINFHSA-N -1 1 318.341 0.077 20 0 DCADMM CCC(C)(C)[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590373236 1166892626 /nfs/dbraw/zinc/89/26/26/1166892626.db2.gz DKLGZAOBCHRUGO-IUCAKERBSA-N -1 1 306.374 0.960 20 0 DCADMM CCC(C)(C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590376145 1166893309 /nfs/dbraw/zinc/89/33/09/1166893309.db2.gz XFQRBFCDJSIKIL-UHFFFAOYSA-N -1 1 310.383 0.976 20 0 DCADMM CCC(C)(C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590376145 1166893319 /nfs/dbraw/zinc/89/33/19/1166893319.db2.gz XFQRBFCDJSIKIL-UHFFFAOYSA-N -1 1 310.383 0.976 20 0 DCADMM CC[C@@H](CNC(=O)C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590439919 1166905592 /nfs/dbraw/zinc/90/55/92/1166905592.db2.gz VOFNNKGUAWCLLT-VIFPVBQESA-N -1 1 302.342 0.373 20 0 DCADMM CC[C@@H](CNC(=O)C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590439919 1166905596 /nfs/dbraw/zinc/90/55/96/1166905596.db2.gz VOFNNKGUAWCLLT-VIFPVBQESA-N -1 1 302.342 0.373 20 0 DCADMM CC[C@H](CSC)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590446705 1166908268 /nfs/dbraw/zinc/90/82/68/1166908268.db2.gz GKBBSAQHHBGEEO-JGVFFNPUSA-N -1 1 310.387 0.277 20 0 DCADMM CC[C@H](CNC(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC001590444294 1166908341 /nfs/dbraw/zinc/90/83/41/1166908341.db2.gz 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CCn1cc(-c2nn[n-]n2)c(=O)n([C@@H]2CCC(C)(C)C2=O)c1=O ZINC001590950160 1167056224 /nfs/dbraw/zinc/05/62/24/1167056224.db2.gz TYAHYPMXDJCSJL-SECBINFHSA-N -1 1 318.337 0.140 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCC(F)(F)Cl)c1=O ZINC001590949649 1167057027 /nfs/dbraw/zinc/05/70/27/1167057027.db2.gz JGOURKDSYIMULY-UHFFFAOYSA-N -1 1 320.687 0.432 20 0 DCADMM CCn1cncc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1=O ZINC001590963502 1167060769 /nfs/dbraw/zinc/06/07/69/1167060769.db2.gz GCXCSSGUBHYBLW-UHFFFAOYSA-N -1 1 312.293 0.091 20 0 DCADMM CN(C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C(C)(C)C(N)=O ZINC001590990889 1167068376 /nfs/dbraw/zinc/06/83/76/1167068376.db2.gz VWKBISVRJLZUAX-UHFFFAOYSA-N -1 1 324.291 0.481 20 0 DCADMM CN(C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C(C)(C)C(N)=O ZINC001590990889 1167068377 /nfs/dbraw/zinc/06/83/77/1167068377.db2.gz VWKBISVRJLZUAX-UHFFFAOYSA-N -1 1 324.291 0.481 20 0 DCADMM CN(C(=O)c1nn(C)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001590998093 1167068793 /nfs/dbraw/zinc/06/87/93/1167068793.db2.gz IEHZNEBVHIYJDU-UHFFFAOYSA-N -1 1 318.728 0.925 20 0 DCADMM CN(CC(=O)NC(C)(C)C)Cc1cccc(-c2nn[n-]n2)n1 ZINC001591037429 1167089217 /nfs/dbraw/zinc/08/92/17/1167089217.db2.gz DLFFRWKDLKHJKI-UHFFFAOYSA-N -1 1 303.370 0.608 20 0 DCADMM CN(CCCF)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001591066776 1167099307 /nfs/dbraw/zinc/09/93/07/1167099307.db2.gz PXKGIYDZMILSQC-UHFFFAOYSA-N -1 1 305.360 0.908 20 0 DCADMM CN(CCCF)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001591066614 1167100478 /nfs/dbraw/zinc/10/04/78/1167100478.db2.gz LPQCGJSDMVXLAY-UHFFFAOYSA-N -1 1 317.321 0.986 20 0 DCADMM CN1C[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1=O ZINC001591170542 1167124136 /nfs/dbraw/zinc/12/41/36/1167124136.db2.gz JHNSTAWLYQLZFO-QMMMGPOBSA-N -1 1 305.294 0.485 20 0 DCADMM CN1CC[C@@](C)(COC(=O)c2coc(-c3nnn[n-]3)c2)C1=O ZINC001591178809 1167130564 /nfs/dbraw/zinc/13/05/64/1167130564.db2.gz SDOFKDVFTJOWDN-ZDUSSCGKSA-N -1 1 305.294 0.485 20 0 DCADMM CN1CC[C@@](C)(COC(=O)c2coc(-c3nn[n-]n3)c2)C1=O ZINC001591178809 1167130568 /nfs/dbraw/zinc/13/05/68/1167130568.db2.gz SDOFKDVFTJOWDN-ZDUSSCGKSA-N -1 1 305.294 0.485 20 0 DCADMM CN1CCCC[C@H]1C(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001591187810 1167139729 /nfs/dbraw/zinc/13/97/29/1167139729.db2.gz OFMNRPOZWIJLBZ-LBPRGKRZSA-N -1 1 302.338 0.761 20 0 DCADMM CNC(=O)[C@@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001591204389 1167152865 /nfs/dbraw/zinc/15/28/65/1167152865.db2.gz WWUPDHOCULDJSB-SSDOTTSWSA-N -1 1 306.351 0.136 20 0 DCADMM CNC(=O)[C@@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001591204389 1167152869 /nfs/dbraw/zinc/15/28/69/1167152869.db2.gz WWUPDHOCULDJSB-SSDOTTSWSA-N -1 1 306.351 0.136 20 0 DCADMM CNC(=O)CCCN(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001591206934 1167154913 /nfs/dbraw/zinc/15/49/13/1167154913.db2.gz NWWUUVRGFHZLDM-UHFFFAOYSA-N -1 1 309.761 0.878 20 0 DCADMM CNC(=O)CCCN(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001591206934 1167154915 /nfs/dbraw/zinc/15/49/15/1167154915.db2.gz NWWUUVRGFHZLDM-UHFFFAOYSA-N -1 1 309.761 0.878 20 0 DCADMM COC(=O)[C@H](CNc1cc(-c2nnn[n-]2)ncn1)CC(C)C ZINC001591232166 1167168832 /nfs/dbraw/zinc/16/88/32/1167168832.db2.gz LPTMZHKXIBKFEC-VIFPVBQESA-N -1 1 305.342 0.904 20 0 DCADMM COC(=O)[C@H](CNc1cc(-c2nn[n-]n2)ncn1)CC(C)C ZINC001591232166 1167168835 /nfs/dbraw/zinc/16/88/35/1167168835.db2.gz LPTMZHKXIBKFEC-VIFPVBQESA-N -1 1 305.342 0.904 20 0 DCADMM COC(=O)C1(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC001591241787 1167172250 /nfs/dbraw/zinc/17/22/50/1167172250.db2.gz DKHIEGPILGUOEN-UHFFFAOYSA-N -1 1 318.293 0.162 20 0 DCADMM COC(=O)C1=NO[C@H](CSc2cccnc2-c2nnn[n-]2)C1 ZINC001591246074 1167174264 /nfs/dbraw/zinc/17/42/64/1167174264.db2.gz BLSATSCTJISNLZ-ZETCQYMHSA-N -1 1 320.334 0.672 20 0 DCADMM COC(=O)C1=NO[C@H](CSc2cccnc2-c2nn[n-]n2)C1 ZINC001591246074 1167174270 /nfs/dbraw/zinc/17/42/70/1167174270.db2.gz BLSATSCTJISNLZ-ZETCQYMHSA-N -1 1 320.334 0.672 20 0 DCADMM COC(=O)[C@@]1(OC)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001591245668 1167174617 /nfs/dbraw/zinc/17/46/17/1167174617.db2.gz IGEFHDVDTBPICN-GFCCVEGCSA-N -1 1 324.366 0.400 20 0 DCADMM COC(=O)[C@]1(OC)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001591245669 1167175348 /nfs/dbraw/zinc/17/53/48/1167175348.db2.gz IGEFHDVDTBPICN-LBPRGKRZSA-N -1 1 324.366 0.400 20 0 DCADMM COC(=O)[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001591249625 1167177457 /nfs/dbraw/zinc/17/74/57/1167177457.db2.gz ZWTSKSDSZMMBPR-VIFPVBQESA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)/C=C(\C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001591257962 1167181522 /nfs/dbraw/zinc/18/15/22/1167181522.db2.gz ZJPJTUPQEWTAIN-RMKNXTFCSA-N -1 1 315.333 0.636 20 0 DCADMM COC(=O)C[C@@H](C)N(OC)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591258358 1167181828 /nfs/dbraw/zinc/18/18/28/1167181828.db2.gz HUQRFNLSRKNSNY-SSDOTTSWSA-N -1 1 309.282 0.415 20 0 DCADMM COC(=O)CCCCn1c(=O)ccc(-c2nn[n-]n2)c1OC ZINC001591262257 1167182812 /nfs/dbraw/zinc/18/28/12/1167182812.db2.gz OWNLFUPEWHHOOJ-UHFFFAOYSA-N -1 1 307.310 0.380 20 0 DCADMM COC(=O)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001591258816 1167183222 /nfs/dbraw/zinc/18/32/22/1167183222.db2.gz QUSXKYVFKDHVCC-SECBINFHSA-N -1 1 303.326 0.080 20 0 DCADMM COC(=O)CCC(C)(C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591262568 1167186050 /nfs/dbraw/zinc/18/60/50/1167186050.db2.gz LDTOVYZDEDXGLV-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM COC(=O)CCC(C)(C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591262568 1167186054 /nfs/dbraw/zinc/18/60/54/1167186054.db2.gz LDTOVYZDEDXGLV-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM COC(=O)CCC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591263319 1167186196 /nfs/dbraw/zinc/18/61/96/1167186196.db2.gz XOFZYKVGGSXNTN-UHFFFAOYSA-N -1 1 324.318 0.607 20 0 DCADMM COC(=O)CCC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591263319 1167186198 /nfs/dbraw/zinc/18/61/98/1167186198.db2.gz XOFZYKVGGSXNTN-UHFFFAOYSA-N -1 1 324.318 0.607 20 0 DCADMM COC(=O)C[C@H]1COCCN1c1cccc(-c2nnn[n-]2)n1 ZINC001591263342 1167186303 /nfs/dbraw/zinc/18/63/03/1167186303.db2.gz YOJIEVHUYWODQC-VIFPVBQESA-N -1 1 304.310 0.030 20 0 DCADMM COC(=O)C[C@H]1COCCN1c1cccc(-c2nn[n-]n2)n1 ZINC001591263342 1167186304 /nfs/dbraw/zinc/18/63/04/1167186304.db2.gz YOJIEVHUYWODQC-VIFPVBQESA-N -1 1 304.310 0.030 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2csc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC001591278326 1167196191 /nfs/dbraw/zinc/19/61/91/1167196191.db2.gz HZZMEOJUCGIIDU-SCZZXKLOSA-N -1 1 323.378 0.691 20 0 DCADMM COC(=O)[C@@H]1[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1(F)F ZINC001591281992 1167198094 /nfs/dbraw/zinc/19/80/94/1167198094.db2.gz AQQKAWFMOXRWRR-XNCJUZBTSA-N -1 1 311.252 0.123 20 0 DCADMM COC(=O)[C@@H]1[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1(F)F ZINC001591281992 1167198099 /nfs/dbraw/zinc/19/80/99/1167198099.db2.gz AQQKAWFMOXRWRR-XNCJUZBTSA-N -1 1 311.252 0.123 20 0 DCADMM COC(=O)[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591282692 1167198896 /nfs/dbraw/zinc/19/88/96/1167198896.db2.gz IAUNZOLMCQMLQL-SNVBAGLBSA-N -1 1 319.321 0.936 20 0 DCADMM COC(=O)[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591282692 1167198898 /nfs/dbraw/zinc/19/88/98/1167198898.db2.gz IAUNZOLMCQMLQL-SNVBAGLBSA-N -1 1 319.321 0.936 20 0 DCADMM COC(=O)c1ccc(N2CCC[C@H](O)C2)c(-c2nnn[n-]2)n1 ZINC001591294204 1167202451 /nfs/dbraw/zinc/20/24/51/1167202451.db2.gz CYYQGIYUDCJBHW-QMMMGPOBSA-N -1 1 304.310 0.009 20 0 DCADMM COC(=O)c1ccc(N2CCC[C@H](O)C2)c(-c2nn[n-]n2)n1 ZINC001591294204 1167202458 /nfs/dbraw/zinc/20/24/58/1167202458.db2.gz CYYQGIYUDCJBHW-QMMMGPOBSA-N -1 1 304.310 0.009 20 0 DCADMM CO[C@@H](C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001591324943 1167214420 /nfs/dbraw/zinc/21/44/20/1167214420.db2.gz UBOGVCBUGYHYKV-QMMMGPOBSA-N -1 1 303.322 0.582 20 0 DCADMM CO[C@H]([C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001591327632 1167216523 /nfs/dbraw/zinc/21/65/23/1167216523.db2.gz UZJXLJCZICRDPJ-QPUJVOFHSA-N -1 1 302.338 0.805 20 0 DCADMM CO[C@H]([C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001591327632 1167216529 /nfs/dbraw/zinc/21/65/29/1167216529.db2.gz UZJXLJCZICRDPJ-QPUJVOFHSA-N -1 1 302.338 0.805 20 0 DCADMM CO[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)C(F)(F)F ZINC001591327365 1167217627 /nfs/dbraw/zinc/21/76/27/1167217627.db2.gz SHGBLOGZFUFTFY-YFKPBYRVSA-N -1 1 305.220 0.496 20 0 DCADMM CO[C@]1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCSC1 ZINC001591337234 1167220023 /nfs/dbraw/zinc/22/00/23/1167220023.db2.gz NYXFDAAJBMTULS-SNVBAGLBSA-N -1 1 312.380 0.784 20 0 DCADMM CO[C@]1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCSC1 ZINC001591337234 1167220030 /nfs/dbraw/zinc/22/00/30/1167220030.db2.gz NYXFDAAJBMTULS-SNVBAGLBSA-N -1 1 312.380 0.784 20 0 DCADMM COC1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCOCC1 ZINC001591336867 1167220337 /nfs/dbraw/zinc/22/03/37/1167220337.db2.gz HINAFWBPRJRSAM-UHFFFAOYSA-N -1 1 319.321 0.706 20 0 DCADMM COC1(OC)CC(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591344173 1167225915 /nfs/dbraw/zinc/22/59/15/1167225915.db2.gz QBIRHPMDTYSJBG-UHFFFAOYSA-N -1 1 318.337 0.391 20 0 DCADMM COC1(OC)CC(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591344173 1167225920 /nfs/dbraw/zinc/22/59/20/1167225920.db2.gz QBIRHPMDTYSJBG-UHFFFAOYSA-N -1 1 318.337 0.391 20 0 DCADMM CO[C@H]1CCCN(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591353483 1167230862 /nfs/dbraw/zinc/23/08/62/1167230862.db2.gz BTTLPIQOZLBMMT-VIFPVBQESA-N -1 1 318.341 0.409 20 0 DCADMM CO[C@H]1CCCN(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591353483 1167230867 /nfs/dbraw/zinc/23/08/67/1167230867.db2.gz BTTLPIQOZLBMMT-VIFPVBQESA-N -1 1 318.341 0.409 20 0 DCADMM CO[C@H]1CCC[C@H]1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591362614 1167237344 /nfs/dbraw/zinc/23/73/44/1167237344.db2.gz SCFIAFNQJSNKII-JQWIXIFHSA-N -1 1 302.338 0.807 20 0 DCADMM CO[C@H]1CCC[C@H]1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591362614 1167237350 /nfs/dbraw/zinc/23/73/50/1167237350.db2.gz SCFIAFNQJSNKII-JQWIXIFHSA-N -1 1 302.338 0.807 20 0 DCADMM CO[C@H]1COCC[C@H]1N(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591361347 1167237677 /nfs/dbraw/zinc/23/76/77/1167237677.db2.gz LPZZROCNXDUUBO-ZJUUUORDSA-N -1 1 323.378 0.804 20 0 DCADMM CO[C@H]1COCC[C@H]1N(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591361347 1167237683 /nfs/dbraw/zinc/23/76/83/1167237683.db2.gz LPZZROCNXDUUBO-ZJUUUORDSA-N -1 1 323.378 0.804 20 0 DCADMM COC[C@@H](COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001591377633 1167250164 /nfs/dbraw/zinc/25/01/64/1167250164.db2.gz LFAQSHTWTZEYAJ-ZJUUUORDSA-N -1 1 323.357 0.481 20 0 DCADMM COC[C@H](OC)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001591381150 1167253116 /nfs/dbraw/zinc/25/31/16/1167253116.db2.gz MEFKYFUHHCFLAE-ZETCQYMHSA-N -1 1 312.355 0.256 20 0 DCADMM COC[C@H](OC)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001591381150 1167253119 /nfs/dbraw/zinc/25/31/19/1167253119.db2.gz MEFKYFUHHCFLAE-ZETCQYMHSA-N -1 1 312.355 0.256 20 0 DCADMM COC[C@]1(C)CN(c2ccc(C)nc2-c2nnn[n-]2)CCO1 ZINC001591385685 1167255058 /nfs/dbraw/zinc/25/50/58/1167255058.db2.gz RZTPUMLCYGMWKK-AWEZNQCLSA-N -1 1 304.354 0.812 20 0 DCADMM COC[C@]1(C)CN(c2ccc(C)nc2-c2nn[n-]n2)CCO1 ZINC001591385685 1167255068 /nfs/dbraw/zinc/25/50/68/1167255068.db2.gz RZTPUMLCYGMWKK-AWEZNQCLSA-N -1 1 304.354 0.812 20 0 DCADMM COCC1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001591389502 1167257444 /nfs/dbraw/zinc/25/74/44/1167257444.db2.gz RIIOBMRWYVNJBY-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM COCC1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001591389502 1167257449 /nfs/dbraw/zinc/25/74/49/1167257449.db2.gz RIIOBMRWYVNJBY-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM COC[C@H]1CCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591393929 1167261211 /nfs/dbraw/zinc/26/12/11/1167261211.db2.gz IZNJBNXIEJOITK-MRVPVSSYSA-N -1 1 323.382 0.644 20 0 DCADMM COC[C@H]1CCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591393929 1167261218 /nfs/dbraw/zinc/26/12/18/1167261218.db2.gz IZNJBNXIEJOITK-MRVPVSSYSA-N -1 1 323.382 0.644 20 0 DCADMM COCC[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)C(=O)OC ZINC001591400254 1167269584 /nfs/dbraw/zinc/26/95/84/1167269584.db2.gz SDHPEZDRSKDOCL-VIFPVBQESA-N -1 1 323.309 0.076 20 0 DCADMM COCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)C(=O)OC ZINC001591400254 1167269590 /nfs/dbraw/zinc/26/95/90/1167269590.db2.gz SDHPEZDRSKDOCL-VIFPVBQESA-N -1 1 323.309 0.076 20 0 DCADMM COCCCOCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591417072 1167276649 /nfs/dbraw/zinc/27/66/49/1167276649.db2.gz ILAMEJAYUIZJNQ-UHFFFAOYSA-N -1 1 307.358 0.454 20 0 DCADMM COCCCOCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591417072 1167276654 /nfs/dbraw/zinc/27/66/54/1167276654.db2.gz ILAMEJAYUIZJNQ-UHFFFAOYSA-N -1 1 307.358 0.454 20 0 DCADMM COCCOCCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001591436175 1167287175 /nfs/dbraw/zinc/28/71/75/1167287175.db2.gz JAMDLYDYQFFCMO-UHFFFAOYSA-N -1 1 311.367 0.598 20 0 DCADMM COCCOCCOC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591440184 1167289293 /nfs/dbraw/zinc/28/92/93/1167289293.db2.gz KLZFLEOMMCXVNV-UHFFFAOYSA-N -1 1 310.285 0.826 20 0 DCADMM COCCOCCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591440184 1167289298 /nfs/dbraw/zinc/28/92/98/1167289298.db2.gz KLZFLEOMMCXVNV-UHFFFAOYSA-N -1 1 310.285 0.826 20 0 DCADMM C[S@](=O)[C@H]1CC[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001591683131 1167352077 /nfs/dbraw/zinc/35/20/77/1167352077.db2.gz TYOXOVCAFSQRLX-SYLNSOGPSA-N -1 1 309.351 0.489 20 0 DCADMM C[S@](=O)[C@H]1CC[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001591683131 1167352082 /nfs/dbraw/zinc/35/20/82/1167352082.db2.gz TYOXOVCAFSQRLX-SYLNSOGPSA-N -1 1 309.351 0.489 20 0 DCADMM C[C@@H]1CC[C@H](O)CN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591734788 1167363456 /nfs/dbraw/zinc/36/34/56/1167363456.db2.gz CQNVRFGDSWDBPH-BDAKNGLRSA-N -1 1 305.313 0.991 20 0 DCADMM C[C@@H]1CC[C@H](O)CN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591734788 1167363459 /nfs/dbraw/zinc/36/34/59/1167363459.db2.gz CQNVRFGDSWDBPH-BDAKNGLRSA-N -1 1 305.313 0.991 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](C)C(C)(C)O ZINC001591835636 1167391572 /nfs/dbraw/zinc/39/15/72/1167391572.db2.gz NPJRBOBMOXLGOV-ZETCQYMHSA-N -1 1 306.326 0.165 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2nnc3n2CCC3)n1 ZINC001591890566 1167411421 /nfs/dbraw/zinc/41/14/21/1167411421.db2.gz BWRTYHAGHKHAHP-MRVPVSSYSA-N -1 1 312.341 0.676 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2nnc3n2CCC3)n1 ZINC001591890566 1167411426 /nfs/dbraw/zinc/41/14/26/1167411426.db2.gz BWRTYHAGHKHAHP-MRVPVSSYSA-N -1 1 312.341 0.676 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](CCO)C(F)(F)F)n1 ZINC001591891448 1167412793 /nfs/dbraw/zinc/41/27/93/1167412793.db2.gz UROPBEOGWXCFMD-ZETCQYMHSA-N -1 1 303.248 0.690 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](CCO)C(F)(F)F)n1 ZINC001591891448 1167412796 /nfs/dbraw/zinc/41/27/96/1167412796.db2.gz UROPBEOGWXCFMD-ZETCQYMHSA-N -1 1 303.248 0.690 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H](O)C(F)(F)F)n1 ZINC001591890714 1167413280 /nfs/dbraw/zinc/41/32/80/1167413280.db2.gz MUQJCMALBKBPKU-CAHLUQPWSA-N -1 1 303.248 0.689 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H](O)C(F)(F)F)n1 ZINC001591890714 1167413288 /nfs/dbraw/zinc/41/32/88/1167413288.db2.gz MUQJCMALBKBPKU-CAHLUQPWSA-N -1 1 303.248 0.689 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CN2CCCC2=O)n1 ZINC001591891970 1167413618 /nfs/dbraw/zinc/41/36/18/1167413618.db2.gz HRUCBARMVVWWPS-SECBINFHSA-N -1 1 302.342 0.388 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CN2CCCC2=O)n1 ZINC001591891970 1167413621 /nfs/dbraw/zinc/41/36/21/1167413621.db2.gz HRUCBARMVVWWPS-SECBINFHSA-N -1 1 302.342 0.388 20 0 DCADMM Cc1cc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)on1 ZINC001591966290 1167426512 /nfs/dbraw/zinc/42/65/12/1167426512.db2.gz UDIMLTMXYFQDEX-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1cc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)on1 ZINC001591966290 1167426515 /nfs/dbraw/zinc/42/65/15/1167426515.db2.gz UDIMLTMXYFQDEX-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1cc(N(C)C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)ccn1 ZINC001591995665 1167429460 /nfs/dbraw/zinc/42/94/60/1167429460.db2.gz LCZWRKKZGMWEEO-SECBINFHSA-N -1 1 313.325 0.386 20 0 DCADMM Cc1cc(N2CCC[C@@H](OCCO)C2)cc(-c2nnn[n-]2)n1 ZINC001592007405 1167432364 /nfs/dbraw/zinc/43/23/64/1167432364.db2.gz ZPBBDWUKMGFGFJ-GFCCVEGCSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(N2CCC[C@@H](OCCO)C2)cc(-c2nn[n-]n2)n1 ZINC001592007405 1167432368 /nfs/dbraw/zinc/43/23/68/1167432368.db2.gz ZPBBDWUKMGFGFJ-GFCCVEGCSA-N -1 1 304.354 0.548 20 0 DCADMM Cc1cc(NCCCCS(C)(=O)=O)cc(-c2nnn[n-]2)n1 ZINC001592047966 1167443310 /nfs/dbraw/zinc/44/33/10/1167443310.db2.gz STIJCHOOMHDUIN-UHFFFAOYSA-N -1 1 310.383 0.807 20 0 DCADMM Cc1cc(NCCCCS(C)(=O)=O)cc(-c2nn[n-]n2)n1 ZINC001592047966 1167443314 /nfs/dbraw/zinc/44/33/14/1167443314.db2.gz STIJCHOOMHDUIN-UHFFFAOYSA-N -1 1 310.383 0.807 20 0 DCADMM Cc1cc(NCC2(C(N)=O)CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001592041446 1167443863 /nfs/dbraw/zinc/44/38/63/1167443863.db2.gz LGHKZZOMPXZYPU-UHFFFAOYSA-N -1 1 317.353 0.264 20 0 DCADMM Cc1cc(NCC2(C(N)=O)CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001592041446 1167443866 /nfs/dbraw/zinc/44/38/66/1167443866.db2.gz LGHKZZOMPXZYPU-UHFFFAOYSA-N -1 1 317.353 0.264 20 0 DCADMM Cc1cc(NCC2CCS(=O)(=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001592045697 1167443875 /nfs/dbraw/zinc/44/38/75/1167443875.db2.gz WHTBZFMSSGIYHZ-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1cc(NCC2CCS(=O)(=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001592045697 1167443878 /nfs/dbraw/zinc/44/38/78/1167443878.db2.gz WHTBZFMSSGIYHZ-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)c(C)c1 ZINC001592127451 1167460699 /nfs/dbraw/zinc/46/06/99/1167460699.db2.gz IGLWIMHXRJYFDY-UHFFFAOYSA-N -1 1 312.337 0.505 20 0 DCADMM Cc1ccc(CC(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)o1 ZINC001592146994 1167463675 /nfs/dbraw/zinc/46/36/75/1167463675.db2.gz KXJPYORIIXXWRE-UHFFFAOYSA-N -1 1 301.310 0.991 20 0 DCADMM Cc1ccc(CC(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)o1 ZINC001592146994 1167463678 /nfs/dbraw/zinc/46/36/78/1167463678.db2.gz KXJPYORIIXXWRE-UHFFFAOYSA-N -1 1 301.310 0.991 20 0 DCADMM Cc1ccc(NC[C@@H]2CCCCS2(=O)=O)nc1-c1nnn[n-]1 ZINC001592183341 1167469719 /nfs/dbraw/zinc/46/97/19/1167469719.db2.gz QICDZNGPTKOSOF-JTQLQIEISA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(NC[C@@H]2CCCCS2(=O)=O)nc1-c1nn[n-]n1 ZINC001592183341 1167469728 /nfs/dbraw/zinc/46/97/28/1167469728.db2.gz QICDZNGPTKOSOF-JTQLQIEISA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)nc1-c1nnn[n-]1 ZINC001592177645 1167470856 /nfs/dbraw/zinc/47/08/56/1167470856.db2.gz DYCBSGDHVLAYMS-QWRGUYRKSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)nc1-c1nn[n-]n1 ZINC001592177645 1167470859 /nfs/dbraw/zinc/47/08/59/1167470859.db2.gz DYCBSGDHVLAYMS-QWRGUYRKSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1cn(C(C)(C)C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cn1 ZINC001592284899 1167485160 /nfs/dbraw/zinc/48/51/60/1167485160.db2.gz DVVLVNPWGLERTA-UHFFFAOYSA-N -1 1 315.341 0.777 20 0 DCADMM Cc1csc(CCC(=O)Nc2c[nH]nc2-c2nn[n-]n2)n1 ZINC001592313741 1167486893 /nfs/dbraw/zinc/48/68/93/1167486893.db2.gz IPKRCBUHKNFJMA-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1coc(C(=O)NCCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001592308368 1167487828 /nfs/dbraw/zinc/48/78/28/1167487828.db2.gz JFGIQUKNTNYELJ-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1coc(C(=O)NCCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001592308368 1167487831 /nfs/dbraw/zinc/48/78/31/1167487831.db2.gz JFGIQUKNTNYELJ-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1[nH]nc(NC(=O)C[C@@H]2CCC(=O)[C@H]2C)c1-c1nn[n-]n1 ZINC001592328716 1167490788 /nfs/dbraw/zinc/49/07/88/1167490788.db2.gz VRTDKEGOLDEWLJ-XPUUQOCRSA-N -1 1 303.326 0.842 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCC(=O)N(C)C2)n1 ZINC001592338796 1167492683 /nfs/dbraw/zinc/49/26/83/1167492683.db2.gz NTZWPISIICZHKH-VIFPVBQESA-N -1 1 302.342 0.022 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCC(=O)N(C)C2)n1 ZINC001592338796 1167492687 /nfs/dbraw/zinc/49/26/87/1167492687.db2.gz NTZWPISIICZHKH-VIFPVBQESA-N -1 1 302.342 0.022 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]([C@H]3CCOC3)C2)n1 ZINC001592337850 1167493228 /nfs/dbraw/zinc/49/32/28/1167493228.db2.gz PSKHTDJPEHQYNB-QWRGUYRKSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]([C@H]3CCOC3)C2)n1 ZINC001592337850 1167493231 /nfs/dbraw/zinc/49/32/31/1167493231.db2.gz PSKHTDJPEHQYNB-QWRGUYRKSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC3(CNC(=O)O3)CC2)n1 ZINC001592337300 1167493660 /nfs/dbraw/zinc/49/36/60/1167493660.db2.gz FLDXQOVAFXGHTL-UHFFFAOYSA-N -1 1 316.325 0.044 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC3(CNC(=O)O3)CC2)n1 ZINC001592337300 1167493662 /nfs/dbraw/zinc/49/36/62/1167493662.db2.gz FLDXQOVAFXGHTL-UHFFFAOYSA-N -1 1 316.325 0.044 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@](CO)(C(C)C)C2)n1 ZINC001592338243 1167493683 /nfs/dbraw/zinc/49/36/83/1167493683.db2.gz XBDZOGQQVAZMJE-AWEZNQCLSA-N -1 1 303.370 0.810 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@](CO)(C(C)C)C2)n1 ZINC001592338243 1167493687 /nfs/dbraw/zinc/49/36/87/1167493687.db2.gz XBDZOGQQVAZMJE-AWEZNQCLSA-N -1 1 303.370 0.810 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCOC[C@H]2[C@@H]2CCCO2)n1 ZINC001592341697 1167494801 /nfs/dbraw/zinc/49/48/01/1167494801.db2.gz ZTKOCPBSVCEYQL-RYUDHWBXSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCOC[C@H]2[C@@H]2CCCO2)n1 ZINC001592341697 1167494804 /nfs/dbraw/zinc/49/48/04/1167494804.db2.gz ZTKOCPBSVCEYQL-RYUDHWBXSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCN(CC(F)F)CC2)n1 ZINC001592341548 1167494840 /nfs/dbraw/zinc/49/48/40/1167494840.db2.gz WJMWVNZDMPFJGX-UHFFFAOYSA-N -1 1 310.312 0.352 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCN(CC(F)F)CC2)n1 ZINC001592341548 1167494843 /nfs/dbraw/zinc/49/48/43/1167494843.db2.gz WJMWVNZDMPFJGX-UHFFFAOYSA-N -1 1 310.312 0.352 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCOC[C@H]2[C@H]2CCCO2)n1 ZINC001592341696 1167495780 /nfs/dbraw/zinc/49/57/80/1167495780.db2.gz ZTKOCPBSVCEYQL-NWDGAFQWSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCOC[C@H]2[C@H]2CCCO2)n1 ZINC001592341696 1167495782 /nfs/dbraw/zinc/49/57/82/1167495782.db2.gz ZTKOCPBSVCEYQL-NWDGAFQWSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC001592354558 1167503709 /nfs/dbraw/zinc/50/37/09/1167503709.db2.gz SUXOJDIFLZLRJP-LURJTMIESA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC001592354558 1167503718 /nfs/dbraw/zinc/50/37/18/1167503718.db2.gz SUXOJDIFLZLRJP-LURJTMIESA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nc(CC2CC2)oc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592359674 1167505414 /nfs/dbraw/zinc/50/54/14/1167505414.db2.gz JLDOFHFQMUEKDP-UHFFFAOYSA-N -1 1 314.309 0.583 20 0 DCADMM Cc1nc(NC[C@@H](CO)[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592384466 1167510046 /nfs/dbraw/zinc/51/00/46/1167510046.db2.gz LPKCVMIJDBBIIU-ZJUUUORDSA-N -1 1 305.342 0.022 20 0 DCADMM Cc1nc(NC[C@@H](CO)[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592384466 1167510050 /nfs/dbraw/zinc/51/00/50/1167510050.db2.gz LPKCVMIJDBBIIU-ZJUUUORDSA-N -1 1 305.342 0.022 20 0 DCADMM Cc1nc(NCC(C)(C)S(C)(=O)=O)cc(-c2nnn[n-]2)n1 ZINC001592383910 1167510810 /nfs/dbraw/zinc/51/08/10/1167510810.db2.gz LSAVVNAHRQHQAI-UHFFFAOYSA-N -1 1 311.371 0.200 20 0 DCADMM Cc1nc(NCC(C)(C)S(C)(=O)=O)cc(-c2nn[n-]n2)n1 ZINC001592383910 1167510817 /nfs/dbraw/zinc/51/08/17/1167510817.db2.gz LSAVVNAHRQHQAI-UHFFFAOYSA-N -1 1 311.371 0.200 20 0 DCADMM Cc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592381341 1167510905 /nfs/dbraw/zinc/51/09/05/1167510905.db2.gz YFXFSHASWHDNAR-MRVPVSSYSA-N -1 1 300.326 0.140 20 0 DCADMM Cc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592381341 1167510909 /nfs/dbraw/zinc/51/09/09/1167510909.db2.gz YFXFSHASWHDNAR-MRVPVSSYSA-N -1 1 300.326 0.140 20 0 DCADMM Cc1ncc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)c(N)n1 ZINC001592407660 1167513955 /nfs/dbraw/zinc/51/39/55/1167513955.db2.gz XDCCRAQPKZJHSJ-UHFFFAOYSA-N -1 1 322.292 0.659 20 0 DCADMM Cc1ncc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)c(N)n1 ZINC001592407660 1167513963 /nfs/dbraw/zinc/51/39/63/1167513963.db2.gz XDCCRAQPKZJHSJ-UHFFFAOYSA-N -1 1 322.292 0.659 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)c1-c1nnn[n-]1 ZINC001592433978 1167519171 /nfs/dbraw/zinc/51/91/71/1167519171.db2.gz KVQNGEOQBNEPNX-GMSGAONNSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC001592433978 1167519182 /nfs/dbraw/zinc/51/91/82/1167519182.db2.gz KVQNGEOQBNEPNX-GMSGAONNSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nsc(NC(=O)NCCn2cccn2)c1-c1nnn[n-]1 ZINC001592483514 1167536776 /nfs/dbraw/zinc/53/67/76/1167536776.db2.gz MLGFJIRRKLXGSR-UHFFFAOYSA-N -1 1 319.354 0.650 20 0 DCADMM Cc1nsc(NC(=O)NCCn2cccn2)c1-c1nn[n-]n1 ZINC001592483514 1167536784 /nfs/dbraw/zinc/53/67/84/1167536784.db2.gz MLGFJIRRKLXGSR-UHFFFAOYSA-N -1 1 319.354 0.650 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)c1cnccn1 ZINC001592500508 1167540772 /nfs/dbraw/zinc/54/07/72/1167540772.db2.gz DCDOZFPHFNMZFX-UHFFFAOYSA-N -1 1 314.261 0.598 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)c1cnccn1 ZINC001592500508 1167540777 /nfs/dbraw/zinc/54/07/77/1167540777.db2.gz DCDOZFPHFNMZFX-UHFFFAOYSA-N -1 1 314.261 0.598 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@H](O)C(F)(F)F ZINC001592502645 1167541877 /nfs/dbraw/zinc/54/18/77/1167541877.db2.gz PEEPVVKSCHDBPQ-QMMMGPOBSA-N -1 1 319.243 0.811 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](CO)c1ccccn1 ZINC001592500881 1167542513 /nfs/dbraw/zinc/54/25/13/1167542513.db2.gz ZMVMBBULILJNRV-NSHDSACASA-N -1 1 314.305 0.627 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](CO)c1ccccn1 ZINC001592500881 1167542516 /nfs/dbraw/zinc/54/25/16/1167542516.db2.gz ZMVMBBULILJNRV-NSHDSACASA-N -1 1 314.305 0.627 20 0 DCADMM Cc1ocnc1CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592514822 1167544367 /nfs/dbraw/zinc/54/43/67/1167544367.db2.gz GGHIFVGEWBIIMS-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1ocnc1CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592514822 1167544370 /nfs/dbraw/zinc/54/43/70/1167544370.db2.gz GGHIFVGEWBIIMS-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H](CO)C(C)C)c1-c1nnn[n-]1 ZINC001592517870 1167546060 /nfs/dbraw/zinc/54/60/60/1167546060.db2.gz VXBVQQNFHRBCHP-VIFPVBQESA-N -1 1 308.342 0.086 20 0 DCADMM Cc1onc(CC(=O)NC[C@@H](CO)C(C)C)c1-c1nn[n-]n1 ZINC001592517870 1167546067 /nfs/dbraw/zinc/54/60/67/1167546067.db2.gz VXBVQQNFHRBCHP-VIFPVBQESA-N -1 1 308.342 0.086 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCCSC2)c1-c1nnn[n-]1 ZINC001592517817 1167546764 /nfs/dbraw/zinc/54/67/64/1167546764.db2.gz SNABMZAIMWBSEC-SECBINFHSA-N -1 1 322.394 0.965 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CCCSC2)c1-c1nn[n-]n1 ZINC001592517817 1167546766 /nfs/dbraw/zinc/54/67/66/1167546766.db2.gz SNABMZAIMWBSEC-SECBINFHSA-N -1 1 322.394 0.965 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCn3cncc32)c1-c1nn[n-]n1 ZINC001592517833 1167547035 /nfs/dbraw/zinc/54/70/35/1167547035.db2.gz TUPMGPDREOYJDO-MRVPVSSYSA-N -1 1 314.309 0.163 20 0 DCADMM Cc1onc(CC(=O)NCCc2ccoc2)c1-c1nnn[n-]1 ZINC001592516789 1167547534 /nfs/dbraw/zinc/54/75/34/1167547534.db2.gz IUJGTOVQIHSYSM-UHFFFAOYSA-N -1 1 302.294 0.658 20 0 DCADMM Cc1onc(CC(=O)NCCc2ccoc2)c1-c1nn[n-]n1 ZINC001592516789 1167547541 /nfs/dbraw/zinc/54/75/41/1167547541.db2.gz IUJGTOVQIHSYSM-UHFFFAOYSA-N -1 1 302.294 0.658 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2COC3(CCC3)C2)c1-c1nnn[n-]1 ZINC001592517607 1167548407 /nfs/dbraw/zinc/54/84/07/1167548407.db2.gz NOPHCPSKMAEMMG-VIFPVBQESA-N -1 1 318.337 0.533 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2COC3(CCC3)C2)c1-c1nn[n-]n1 ZINC001592517607 1167548412 /nfs/dbraw/zinc/54/84/12/1167548412.db2.gz NOPHCPSKMAEMMG-VIFPVBQESA-N -1 1 318.337 0.533 20 0 DCADMM Clc1cc(Cn2cc(-c3nn[n-]n3)nn2)cc2c1OCCO2 ZINC001592525941 1167550294 /nfs/dbraw/zinc/55/02/94/1167550294.db2.gz ILHUSDBOELNKRF-UHFFFAOYSA-N -1 1 319.712 0.931 20 0 DCADMM Cc1sccc1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592522463 1167551268 /nfs/dbraw/zinc/55/12/68/1167551268.db2.gz QEFGAINDHFOMCI-UHFFFAOYSA-N -1 1 304.339 0.258 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@]2(C)CCCCO2)n1 ZINC001592559625 1167560634 /nfs/dbraw/zinc/56/06/34/1167560634.db2.gz BQILKZBYWYNENT-CYBMUJFWSA-N -1 1 320.357 0.681 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@]2(C)CCCCO2)n1 ZINC001592559625 1167560639 /nfs/dbraw/zinc/56/06/39/1167560639.db2.gz BQILKZBYWYNENT-CYBMUJFWSA-N -1 1 320.357 0.681 20 0 DCADMM Cn1ccc([C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001592580195 1167569051 /nfs/dbraw/zinc/56/90/51/1167569051.db2.gz SLKMTDGWWKTQGV-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nc2c(c1CNc1ccnc(-c3nn[n-]n3)n1)CCCC2 ZINC001592596859 1167577362 /nfs/dbraw/zinc/57/73/62/1167577362.db2.gz GXCVNFXLCSWUQY-UHFFFAOYSA-N -1 1 311.353 0.303 20 0 DCADMM Cn1ncc(CCCOC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592601766 1167578231 /nfs/dbraw/zinc/57/82/31/1167578231.db2.gz YUDFCHVZBUDGMP-UHFFFAOYSA-N -1 1 314.309 0.180 20 0 DCADMM Cn1ncc(CCCOC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592601766 1167578236 /nfs/dbraw/zinc/57/82/36/1167578236.db2.gz YUDFCHVZBUDGMP-UHFFFAOYSA-N -1 1 314.309 0.180 20 0 DCADMM Cn1nnc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)n1 ZINC001592609454 1167584578 /nfs/dbraw/zinc/58/45/78/1167584578.db2.gz YCKBGTKZAUWBFA-UHFFFAOYSA-N -1 1 308.309 0.551 20 0 DCADMM Cn1nnc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)n1 ZINC001592609454 1167584580 /nfs/dbraw/zinc/58/45/80/1167584580.db2.gz YCKBGTKZAUWBFA-UHFFFAOYSA-N -1 1 308.309 0.551 20 0 DCADMM NC(=O)[C@@H](C1CC1)N(CC1CC1)c1cc(-c2nnn[n-]2)ncn1 ZINC001592714963 1167609800 /nfs/dbraw/zinc/60/98/00/1167609800.db2.gz VSXINFCWXVRIJY-GFCCVEGCSA-N -1 1 314.353 0.137 20 0 DCADMM NC(=O)[C@@H](C1CC1)N(CC1CC1)c1cc(-c2nn[n-]n2)ncn1 ZINC001592714963 1167609805 /nfs/dbraw/zinc/60/98/05/1167609805.db2.gz VSXINFCWXVRIJY-GFCCVEGCSA-N -1 1 314.353 0.137 20 0 DCADMM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592722146 1167613042 /nfs/dbraw/zinc/61/30/42/1167613042.db2.gz WRWLEJXMNHASTI-IUCAKERBSA-N -1 1 315.337 0.036 20 0 DCADMM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592722146 1167613047 /nfs/dbraw/zinc/61/30/47/1167613047.db2.gz WRWLEJXMNHASTI-IUCAKERBSA-N -1 1 315.337 0.036 20 0 DCADMM NC(=O)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)nc1 ZINC001592736360 1167622355 /nfs/dbraw/zinc/62/23/55/1167622355.db2.gz WVGJNWCYBPLNRF-UHFFFAOYSA-N -1 1 310.277 0.008 20 0 DCADMM NC(=O)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)nc1 ZINC001592736360 1167622361 /nfs/dbraw/zinc/62/23/61/1167622361.db2.gz WVGJNWCYBPLNRF-UHFFFAOYSA-N -1 1 310.277 0.008 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1c[nH]c(Br)c1 ZINC001592753083 1167630882 /nfs/dbraw/zinc/63/08/82/1167630882.db2.gz JKBQGBFAKNFXHG-UHFFFAOYSA-N -1 1 323.114 0.425 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(C=O)sc1Cl ZINC001592753100 1167631062 /nfs/dbraw/zinc/63/10/62/1167631062.db2.gz KCGLDVKBAPPDPZ-UHFFFAOYSA-N -1 1 323.725 0.861 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cccnc1Cl ZINC001592753116 1167631374 /nfs/dbraw/zinc/63/13/74/1167631374.db2.gz KRRMIBWXOHITRT-UHFFFAOYSA-N -1 1 304.701 0.577 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC001592754968 1167632688 /nfs/dbraw/zinc/63/26/88/1167632688.db2.gz YSMWHQFGQICRSL-LLVKDONJSA-N -1 1 324.304 0.803 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H](O)c1ccc(Cl)cc1 ZINC001592754913 1167633755 /nfs/dbraw/zinc/63/37/55/1167633755.db2.gz WCCXQYRGBIZYRC-VIFPVBQESA-N -1 1 319.712 0.673 20 0 DCADMM O=C(/C=C\[C@@H]1CCOC1)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592794122 1167642354 /nfs/dbraw/zinc/64/23/54/1167642354.db2.gz HXZMHNSVUACDMC-SLYZXXNYSA-N -1 1 307.335 0.959 20 0 DCADMM O=C(/C=C\[C@@H]1CCOC1)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592794122 1167642360 /nfs/dbraw/zinc/64/23/60/1167642360.db2.gz HXZMHNSVUACDMC-SLYZXXNYSA-N -1 1 307.335 0.959 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H](CO)CC1CC1 ZINC001592915196 1167665259 /nfs/dbraw/zinc/66/52/59/1167665259.db2.gz MCYKAKHUDLLABK-LLVKDONJSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H](CO)CC1CC1 ZINC001592915196 1167665261 /nfs/dbraw/zinc/66/52/61/1167665261.db2.gz MCYKAKHUDLLABK-LLVKDONJSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001592953846 1167674238 /nfs/dbraw/zinc/67/42/38/1167674238.db2.gz PXVKUTQXAMBOKC-ZJUUUORDSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001592953846 1167674242 /nfs/dbraw/zinc/67/42/42/1167674242.db2.gz PXVKUTQXAMBOKC-ZJUUUORDSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@H]1CCc2cncn2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592997425 1167681768 /nfs/dbraw/zinc/68/17/68/1167681768.db2.gz VGAIRIZOPSYARO-JTQLQIEISA-N -1 1 310.321 0.203 20 0 DCADMM O=C(NC/C=C\C1CC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593053555 1167695353 /nfs/dbraw/zinc/69/53/53/1167695353.db2.gz QVZYORBRWPYJBX-IHWYPQMZSA-N -1 1 313.321 0.283 20 0 DCADMM O=C(NC/C=C\C1CC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593053555 1167695355 /nfs/dbraw/zinc/69/53/55/1167695355.db2.gz QVZYORBRWPYJBX-IHWYPQMZSA-N -1 1 313.321 0.283 20 0 DCADMM O=C(NCCCOCC1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593077082 1167700761 /nfs/dbraw/zinc/70/07/61/1167700761.db2.gz QACYSOQVAPBPNG-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCCOCC1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593077082 1167700771 /nfs/dbraw/zinc/70/07/71/1167700771.db2.gz QACYSOQVAPBPNG-UHFFFAOYSA-N -1 1 302.338 0.808 20 0 DCADMM O=C(NCCOCC(F)(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001593096508 1167706174 /nfs/dbraw/zinc/70/61/74/1167706174.db2.gz JELWFVQIPOHCSK-UHFFFAOYSA-N -1 1 305.216 0.768 20 0 DCADMM O=C(NCCOCC(F)(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001593096508 1167706179 /nfs/dbraw/zinc/70/61/79/1167706179.db2.gz JELWFVQIPOHCSK-UHFFFAOYSA-N -1 1 305.216 0.768 20 0 DCADMM O=C(NCCOCCF)NCc1nc(-c2nnn[n-]2)cs1 ZINC001593100238 1167708123 /nfs/dbraw/zinc/70/81/23/1167708123.db2.gz ZDYKMVUURBQQGH-UHFFFAOYSA-N -1 1 315.334 0.109 20 0 DCADMM O=C(NCCOCCF)NCc1nc(-c2nn[n-]n2)cs1 ZINC001593100238 1167708130 /nfs/dbraw/zinc/70/81/30/1167708130.db2.gz ZDYKMVUURBQQGH-UHFFFAOYSA-N -1 1 315.334 0.109 20 0 DCADMM O=C(NCCn1cnnc1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593112392 1167710582 /nfs/dbraw/zinc/71/05/82/1167710582.db2.gz KPURMNZIOUJWIB-UHFFFAOYSA-N -1 1 320.263 0.166 20 0 DCADMM O=C(NCCn1cnnc1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593112392 1167710590 /nfs/dbraw/zinc/71/05/90/1167710590.db2.gz KPURMNZIOUJWIB-UHFFFAOYSA-N -1 1 320.263 0.166 20 0 DCADMM O=C(NCc1ccc(=O)[nH]n1)c1csc(-c2nn[n-]n2)c1 ZINC001593137380 1167720389 /nfs/dbraw/zinc/72/03/89/1167720389.db2.gz ZCAPFYAHWWUARE-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(NCc1nnc(C2CC2)o1)c1coc(-c2nnn[n-]2)c1 ZINC001593154063 1167729809 /nfs/dbraw/zinc/72/98/09/1167729809.db2.gz UJVQTHFXXUXSBS-UHFFFAOYSA-N -1 1 301.266 0.650 20 0 DCADMM O=C(NCc1nnc(C2CC2)o1)c1coc(-c2nn[n-]n2)c1 ZINC001593154063 1167729816 /nfs/dbraw/zinc/72/98/16/1167729816.db2.gz UJVQTHFXXUXSBS-UHFFFAOYSA-N -1 1 301.266 0.650 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc2oc(=O)[nH]c2c1 ZINC001593199311 1167736629 /nfs/dbraw/zinc/73/66/29/1167736629.db2.gz IPWKVNLCSJGMQD-UHFFFAOYSA-N -1 1 312.249 0.689 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc2oc(=O)[nH]c2c1 ZINC001593199311 1167736639 /nfs/dbraw/zinc/73/66/39/1167736639.db2.gz IPWKVNLCSJGMQD-UHFFFAOYSA-N -1 1 312.249 0.689 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N1CC[C@H](CF)C1 ZINC001593242954 1167742921 /nfs/dbraw/zinc/74/29/21/1167742921.db2.gz FLCGCGNMZUWFJS-MRVPVSSYSA-N -1 1 319.300 0.018 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N1CC[C@H](CF)C1 ZINC001593242954 1167742927 /nfs/dbraw/zinc/74/29/27/1167742927.db2.gz FLCGCGNMZUWFJS-MRVPVSSYSA-N -1 1 319.300 0.018 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1(n2cccn2)CC1 ZINC001593268621 1167750813 /nfs/dbraw/zinc/75/08/13/1167750813.db2.gz UYPDAEFCNRRQBT-UHFFFAOYSA-N -1 1 302.323 0.648 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1(n2cccn2)CC1 ZINC001593268621 1167750819 /nfs/dbraw/zinc/75/08/19/1167750819.db2.gz UYPDAEFCNRRQBT-UHFFFAOYSA-N -1 1 302.323 0.648 20 0 DCADMM O=C(OCCOC(F)(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001593290099 1167760980 /nfs/dbraw/zinc/76/09/80/1167760980.db2.gz ISQOPMNWKCJPKV-UHFFFAOYSA-N -1 1 303.200 0.955 20 0 DCADMM O=C(OCCOC(F)(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001593290099 1167760988 /nfs/dbraw/zinc/76/09/88/1167760988.db2.gz ISQOPMNWKCJPKV-UHFFFAOYSA-N -1 1 303.200 0.955 20 0 DCADMM O=C(OCCN1CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001593289835 1167761318 /nfs/dbraw/zinc/76/13/18/1167761318.db2.gz CFSMVVDLWGXLAF-UHFFFAOYSA-N -1 1 309.351 0.417 20 0 DCADMM O=C(OC[C@@H]1COCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593286244 1167761682 /nfs/dbraw/zinc/76/16/82/1167761682.db2.gz FRQILDJSGTYMFD-QMMMGPOBSA-N -1 1 308.269 0.578 20 0 DCADMM O=C(OC[C@@H]1COCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593286244 1167761689 /nfs/dbraw/zinc/76/16/89/1167761689.db2.gz FRQILDJSGTYMFD-QMMMGPOBSA-N -1 1 308.269 0.578 20 0 DCADMM O=C(c1cc(-c2nn[nH]n2)cs1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001593326450 1167773159 /nfs/dbraw/zinc/77/31/59/1167773159.db2.gz ARQNQKRSGDJLDD-ZCFIWIBFSA-N -1 1 317.338 0.071 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H](O)C(F)(F)C1 ZINC001593339811 1167781621 /nfs/dbraw/zinc/78/16/21/1167781621.db2.gz YTULYRPBZOADCM-QMMMGPOBSA-N -1 1 315.305 0.770 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H](O)C(F)(F)C1 ZINC001593339811 1167781627 /nfs/dbraw/zinc/78/16/27/1167781627.db2.gz YTULYRPBZOADCM-QMMMGPOBSA-N -1 1 315.305 0.770 20 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1167810686 /nfs/dbraw/zinc/81/06/86/1167810686.db2.gz XCYIBWHXHUJXIK-UHFFFAOYSA-N -1 1 308.305 0.615 20 0 DCADMM O=C(Oc1ccc2c(c1)CC(=O)N2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593401158 1167812342 /nfs/dbraw/zinc/81/23/42/1167812342.db2.gz HNHQTEUCPNFHPZ-UHFFFAOYSA-N -1 1 322.284 0.976 20 0 DCADMM O=C(Oc1ccc2c(c1)CC(=O)N2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593401158 1167812351 /nfs/dbraw/zinc/81/23/51/1167812351.db2.gz HNHQTEUCPNFHPZ-UHFFFAOYSA-N -1 1 322.284 0.976 20 0 DCADMM O=S(=O)(NC1(CCO)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593430023 1167837632 /nfs/dbraw/zinc/83/76/32/1167837632.db2.gz XOEKGAIHFASQMP-UHFFFAOYSA-N -1 1 315.380 0.122 20 0 DCADMM O=S(=O)(NC1(CCO)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593430023 1167837639 /nfs/dbraw/zinc/83/76/39/1167837639.db2.gz XOEKGAIHFASQMP-UHFFFAOYSA-N -1 1 315.380 0.122 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1nc2ccccc2o1 ZINC001593489426 1167871117 /nfs/dbraw/zinc/87/11/17/1167871117.db2.gz MMKXQRZHFXRZDL-UHFFFAOYSA-N -1 1 311.261 0.319 20 0 DCADMM O=c1[nH]c2ccc(CNc3cc(-c4nnn[n-]4)ncn3)cc2[nH]1 ZINC001593489319 1167873481 /nfs/dbraw/zinc/87/34/81/1167873481.db2.gz FRLJLXPBOMZTPG-UHFFFAOYSA-N -1 1 309.293 0.851 20 0 DCADMM O=c1[nH]c2ccc(CNc3cc(-c4nn[n-]n4)ncn3)cc2[nH]1 ZINC001593489319 1167873497 /nfs/dbraw/zinc/87/34/97/1167873497.db2.gz FRLJLXPBOMZTPG-UHFFFAOYSA-N -1 1 309.293 0.851 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCO[C@H](C2CCC2)C1 ZINC001593493102 1167875539 /nfs/dbraw/zinc/87/55/39/1167875539.db2.gz YFYRRCVTZBSNFN-ZDUSSCGKSA-N -1 1 316.365 0.487 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@H](O)c1ccc(F)cc1 ZINC001593493837 1167876037 /nfs/dbraw/zinc/87/60/37/1167876037.db2.gz FXPHVIRAXWTGAF-NSHDSACASA-N -1 1 302.269 0.296 20 0 DCADMM O=c1cc2c(n[nH]1)CCN(Cc1nc(-c3nnn[n-]3)cs1)C2 ZINC001593495744 1167879044 /nfs/dbraw/zinc/87/90/44/1167879044.db2.gz SWUXUEAUZYILBT-UHFFFAOYSA-N -1 1 316.350 0.377 20 0 DCADMM O=c1cc2c(n[nH]1)CCN(Cc1nc(-c3nn[n-]n3)cs1)C2 ZINC001593495744 1167879051 /nfs/dbraw/zinc/87/90/51/1167879051.db2.gz SWUXUEAUZYILBT-UHFFFAOYSA-N -1 1 316.350 0.377 20 0 DCADMM OC1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCOCC1 ZINC001593510630 1167888729 /nfs/dbraw/zinc/88/87/29/1167888729.db2.gz CKFSGHRAFWZWSD-UHFFFAOYSA-N -1 1 317.353 0.488 20 0 DCADMM OC1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCOCC1 ZINC001593510630 1167888737 /nfs/dbraw/zinc/88/87/37/1167888737.db2.gz CKFSGHRAFWZWSD-UHFFFAOYSA-N -1 1 317.353 0.488 20 0 DCADMM OC1(C2(CNc3ccnc(-c4nn[n-]n4)n3)CCC2)CCC1 ZINC001593511385 1167889585 /nfs/dbraw/zinc/88/95/85/1167889585.db2.gz WVUSTUKYCUHODI-UHFFFAOYSA-N -1 1 301.354 0.576 20 0 DCADMM O[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H]2CCCC[C@H]12 ZINC001593519033 1167891529 /nfs/dbraw/zinc/89/15/29/1167891529.db2.gz HYZWDPVYIDDWOE-ZMLRMANQSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H]2CCCC[C@H]12 ZINC001593519033 1167891532 /nfs/dbraw/zinc/89/15/32/1167891532.db2.gz HYZWDPVYIDDWOE-ZMLRMANQSA-N -1 1 301.354 0.787 20 0 DCADMM OCC(F)(F)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001593521292 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CQLAQOFZEHGGKX-LBPRGKRZSA-N -1 1 322.361 0.335 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnn(C(C)C)c2)c1-c1nn[n-]n1 ZINC001606014110 1170049505 /nfs/dbraw/zinc/04/95/05/1170049505.db2.gz QOZMMTWJJTZHPI-UHFFFAOYSA-N -1 1 301.314 0.928 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@](C)(C(F)F)C2)n1 ZINC001606020787 1170053255 /nfs/dbraw/zinc/05/32/55/1170053255.db2.gz BXHHZWUXZDIQIS-LBPRGKRZSA-N -1 1 311.296 0.826 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@](C)(C(F)F)C2)n1 ZINC001606020787 1170053262 /nfs/dbraw/zinc/05/32/62/1170053262.db2.gz BXHHZWUXZDIQIS-LBPRGKRZSA-N -1 1 311.296 0.826 20 0 DCADMM Cc1nc(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cs1 ZINC001606042880 1170064166 /nfs/dbraw/zinc/06/41/66/1170064166.db2.gz KCHKYSUVGINGON-LURJTMIESA-N -1 1 319.354 0.101 20 0 DCADMM Cc1nnc(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001606120306 1170083288 /nfs/dbraw/zinc/08/32/88/1170083288.db2.gz MAOVJOVUIVMCSG-UHFFFAOYSA-N -1 1 317.334 0.708 20 0 DCADMM Cc1nnc(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001606120306 1170083294 /nfs/dbraw/zinc/08/32/94/1170083294.db2.gz MAOVJOVUIVMCSG-UHFFFAOYSA-N -1 1 317.334 0.708 20 0 DCADMM Cc1noc(CCNC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001606134591 1170091842 /nfs/dbraw/zinc/09/18/42/1170091842.db2.gz SVNAYKFJVPQBPH-UHFFFAOYSA-N -1 1 305.323 0.592 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](C)C[C@@H](C)O)c1-c1nnn[n-]1 ZINC001606152230 1170095560 /nfs/dbraw/zinc/09/55/60/1170095560.db2.gz SESPFIQZRXJXCT-PHDIDXHHSA-N -1 1 311.371 0.913 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](C)C[C@@H](C)O)c1-c1nn[n-]n1 ZINC001606152230 1170095566 /nfs/dbraw/zinc/09/55/66/1170095566.db2.gz SESPFIQZRXJXCT-PHDIDXHHSA-N -1 1 311.371 0.913 20 0 DCADMM Cc1nsc(NC(=O)N2CCC(CO)CC2)c1-c1nnn[n-]1 ZINC001606149504 1170096433 /nfs/dbraw/zinc/09/64/33/1170096433.db2.gz SOKZRXJBVNMHDN-UHFFFAOYSA-N -1 1 323.382 0.868 20 0 DCADMM Cc1nsc(NC(=O)N2CCC(CO)CC2)c1-c1nn[n-]n1 ZINC001606149504 1170096437 /nfs/dbraw/zinc/09/64/37/1170096437.db2.gz SOKZRXJBVNMHDN-UHFFFAOYSA-N -1 1 323.382 0.868 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@](O)(C2CC2)C1 ZINC001606165476 1170097068 /nfs/dbraw/zinc/09/70/68/1170097068.db2.gz HHWNPSFGDBWYKQ-AWEZNQCLSA-N -1 1 303.322 0.755 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@](O)(C2CC2)C1 ZINC001606165476 1170097077 /nfs/dbraw/zinc/09/70/77/1170097077.db2.gz HHWNPSFGDBWYKQ-AWEZNQCLSA-N -1 1 303.322 0.755 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC001606166345 1170097268 /nfs/dbraw/zinc/09/72/68/1170097268.db2.gz BIKVLFBCIZGJPM-MUWHJKNJSA-N -1 1 314.309 0.795 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC001606166345 1170097274 /nfs/dbraw/zinc/09/72/74/1170097274.db2.gz BIKVLFBCIZGJPM-MUWHJKNJSA-N -1 1 314.309 0.795 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](C)[C@@H](CO)C1 ZINC001606165224 1170098949 /nfs/dbraw/zinc/09/89/49/1170098949.db2.gz AVMAQLPIERGOPO-PSASIEDQSA-N -1 1 305.338 0.859 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](C)[C@@H](CO)C1 ZINC001606165224 1170098960 /nfs/dbraw/zinc/09/89/60/1170098960.db2.gz AVMAQLPIERGOPO-PSASIEDQSA-N -1 1 305.338 0.859 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCN(C)CC(F)F ZINC001606166633 1170099804 /nfs/dbraw/zinc/09/98/04/1170099804.db2.gz FYOVXCXKXJQTCD-UHFFFAOYSA-N -1 1 314.296 0.695 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCN(C)CC(F)F ZINC001606166633 1170099812 /nfs/dbraw/zinc/09/98/12/1170099812.db2.gz FYOVXCXKXJQTCD-UHFFFAOYSA-N -1 1 314.296 0.695 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@]1(O)CCO[C@H]1C ZINC001606167263 1170100032 /nfs/dbraw/zinc/10/00/32/1170100032.db2.gz KHTLPVRUCIJTHC-ISVAXAHUSA-N -1 1 307.310 0.038 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@]1(O)CCO[C@H]1C ZINC001606167263 1170100033 /nfs/dbraw/zinc/10/00/33/1170100033.db2.gz KHTLPVRUCIJTHC-ISVAXAHUSA-N -1 1 307.310 0.038 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001606167861 1170100730 /nfs/dbraw/zinc/10/07/30/1170100730.db2.gz YRRYLOWXKKHREA-MRVPVSSYSA-N -1 1 304.310 0.119 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001606167861 1170100731 /nfs/dbraw/zinc/10/07/31/1170100731.db2.gz YRRYLOWXKKHREA-MRVPVSSYSA-N -1 1 304.310 0.119 20 0 DCADMM Cc1onc(CC(=O)N2CC3(C2)CCOCC3)c1-c1nnn[n-]1 ZINC001606178583 1170104552 /nfs/dbraw/zinc/10/45/52/1170104552.db2.gz NVMSZDKHXGELIJ-UHFFFAOYSA-N -1 1 318.337 0.345 20 0 DCADMM Cc1onc(CC(=O)N2CC3(C2)CCOCC3)c1-c1nn[n-]n1 ZINC001606178583 1170104556 /nfs/dbraw/zinc/10/45/56/1170104556.db2.gz NVMSZDKHXGELIJ-UHFFFAOYSA-N -1 1 318.337 0.345 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2C[C@H]2C(F)(F)F)c(-c2nn[n-]n2)c1=O ZINC001606206498 1170112986 /nfs/dbraw/zinc/11/29/86/1170112986.db2.gz YTJGDBNWMPGJTG-QWWZWVQMSA-N -1 1 317.231 0.029 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC2CCCCCC2)n(C)c1=O ZINC001606217549 1170117980 /nfs/dbraw/zinc/11/79/80/1170117980.db2.gz MQUSPBSDFABFDY-UHFFFAOYSA-N -1 1 319.369 0.399 20 0 DCADMM CN1CCN(C)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001606238271 1170131058 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NC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)cnc2Cl)C1 ZINC001606408648 1170188503 /nfs/dbraw/zinc/18/85/03/1170188503.db2.gz FLUPSMIRFUJZND-MRVPVSSYSA-N -1 1 321.772 0.612 20 0 DCADMM COC(=O)[C@H]1CCN(Cc2cncc(OC)c2)[C@@H](C(=O)[O-])C1 ZINC001606414706 1170191323 /nfs/dbraw/zinc/19/13/23/1170191323.db2.gz WNRZFNWWFLUGKK-WCQYABFASA-N -1 1 308.334 0.928 20 0 DCADMM COC(=O)CCN1CCN(Cc2cccc(C(=O)[O-])n2)[C@@H](C)C1 ZINC001606454262 1170209631 /nfs/dbraw/zinc/20/96/31/1170209631.db2.gz ADJMRFGLVPUYKJ-LBPRGKRZSA-N -1 1 321.377 0.849 20 0 DCADMM COC(=O)CCCCC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001606454030 1170209767 /nfs/dbraw/zinc/20/97/67/1170209767.db2.gz WGJLPTLJYQEZLJ-GFCCVEGCSA-N -1 1 314.382 0.727 20 0 DCADMM O=C([C@H]1CCCOC1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001606472173 1170216001 /nfs/dbraw/zinc/21/60/01/1170216001.db2.gz DSNMLNOXNRGPOD-JTQLQIEISA-N -1 1 314.349 0.968 20 0 DCADMM O=C([C@H]1CCCOC1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001606472173 1170216005 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308.305 0.632 20 0 DCADMM O=C1Nc2ccccc2C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001607052157 1170370735 /nfs/dbraw/zinc/37/07/35/1170370735.db2.gz GMXXUYLQSGBXSW-SNVBAGLBSA-N -1 1 308.305 0.632 20 0 DCADMM O=CN1CCC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001607056080 1170374738 /nfs/dbraw/zinc/37/47/38/1170374738.db2.gz LESSLZAEENCWGZ-SNVBAGLBSA-N -1 1 302.294 0.132 20 0 DCADMM O=S1(=O)CCC(CCNc2cccnc2-c2nnn[n-]2)CC1 ZINC001607073812 1170379974 /nfs/dbraw/zinc/37/99/74/1170379974.db2.gz IVTPMBWYXREQNA-UHFFFAOYSA-N -1 1 322.394 0.889 20 0 DCADMM O=S1(=O)CCC(CCNc2cccnc2-c2nn[n-]n2)CC1 ZINC001607073812 1170379980 /nfs/dbraw/zinc/37/99/80/1170379980.db2.gz IVTPMBWYXREQNA-UHFFFAOYSA-N -1 1 322.394 0.889 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1cc(Br)no1 ZINC001607089962 1170386549 /nfs/dbraw/zinc/38/65/49/1170386549.db2.gz SUQWGYIEIHLEIX-UHFFFAOYSA-N -1 1 324.098 0.222 20 0 DCADMM O=c1[n-]c(C2CCN(c3ccncc3-c3nn[nH]n3)CC2)n[nH]1 ZINC001607090371 1170387964 /nfs/dbraw/zinc/38/79/64/1170387964.db2.gz 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c1nnnn1-c1cccc(NCc2cccc(-c3nnn[n-]3)n2)c1 ZINC001607121004 1170405319 /nfs/dbraw/zinc/40/53/19/1170405319.db2.gz KPWAQPVJODOSTL-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nnnn1-c1cccc(NCc2cccc(-c3nn[n-]n3)n2)c1 ZINC001607121004 1170405320 /nfs/dbraw/zinc/40/53/20/1170405320.db2.gz KPWAQPVJODOSTL-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cc(NCc2nnc(C3CC3)n2C2CC2)nc(-c2nn[n-]n2)n1 ZINC001607121041 1170405348 /nfs/dbraw/zinc/40/53/48/1170405348.db2.gz LOQHUAFCHRUSPA-UHFFFAOYSA-N -1 1 324.352 0.495 20 0 DCADMM c1cnc(N2CC[C@@H](Oc3ccncc3)C2)c(-c2nnn[n-]2)n1 ZINC001607125388 1170406677 /nfs/dbraw/zinc/40/66/77/1170406677.db2.gz LTGQUINWWIMLHD-LLVKDONJSA-N -1 1 310.321 0.709 20 0 DCADMM c1cnc(N2CC[C@@H](Oc3ccncc3)C2)c(-c2nn[n-]n2)n1 ZINC001607125388 1170406679 /nfs/dbraw/zinc/40/66/79/1170406679.db2.gz LTGQUINWWIMLHD-LLVKDONJSA-N -1 1 310.321 0.709 20 0 DCADMM COc1cc(NC(=O)C(=O)N2CCNC[C@@H]2C)ccc1C(=O)[O-] ZINC001607171131 1170412135 /nfs/dbraw/zinc/41/21/35/1170412135.db2.gz 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HQIYTEDACQWLLO-SNVBAGLBSA-N -1 1 316.369 0.893 20 0 DCADMM NC(=O)C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001609502240 1171003121 /nfs/dbraw/zinc/00/31/21/1171003121.db2.gz HQIYTEDACQWLLO-SNVBAGLBSA-N -1 1 316.369 0.893 20 0 DCADMM O=C(CNC(=O)c1cccc(F)c1-c1nnn[n-]1)NCC1CC1 ZINC001609526800 1171007200 /nfs/dbraw/zinc/00/72/00/1171007200.db2.gz BXVOYWSDQJJXSG-UHFFFAOYSA-N -1 1 318.312 0.262 20 0 DCADMM O=C(CNC(=O)c1cccc(F)c1-c1nn[n-]n1)NCC1CC1 ZINC001609526800 1171007208 /nfs/dbraw/zinc/00/72/08/1171007208.db2.gz BXVOYWSDQJJXSG-UHFFFAOYSA-N -1 1 318.312 0.262 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)c1ccc2c(c1)CCC2 ZINC001609537303 1171013426 /nfs/dbraw/zinc/01/34/26/1171013426.db2.gz GOJDDALZAZLMOR-UHFFFAOYSA-N -1 1 322.328 0.795 20 0 DCADMM O=C(N[C@H]1CN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609544662 1171017204 /nfs/dbraw/zinc/01/72/04/1171017204.db2.gz XTINLZIIFVISPR-JTQLQIEISA-N -1 1 324.300 0.605 20 0 DCADMM O=C(N[C@H]1CN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609544662 1171017210 /nfs/dbraw/zinc/01/72/10/1171017210.db2.gz XTINLZIIFVISPR-JTQLQIEISA-N -1 1 324.300 0.605 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@]2(CCOC2)C1 ZINC001609567127 1171023504 /nfs/dbraw/zinc/02/35/04/1171023504.db2.gz SFAFRXQUKNOUEI-AWEZNQCLSA-N -1 1 315.337 0.906 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@]2(CCOC2)C1 ZINC001609567127 1171023508 /nfs/dbraw/zinc/02/35/08/1171023508.db2.gz SFAFRXQUKNOUEI-AWEZNQCLSA-N -1 1 315.337 0.906 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001609582976 1171029750 /nfs/dbraw/zinc/02/97/50/1171029750.db2.gz LFKLKCDXZJLUFS-MRVPVSSYSA-N -1 1 324.291 0.351 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001609582976 1171029758 /nfs/dbraw/zinc/02/97/58/1171029758.db2.gz LFKLKCDXZJLUFS-MRVPVSSYSA-N -1 1 324.291 0.351 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](O)CC1 ZINC001609582717 1171029937 /nfs/dbraw/zinc/02/99/37/1171029937.db2.gz CSGXJDKXRFYDEQ-SECBINFHSA-N -1 1 305.313 0.993 20 0 DCADMM 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O=C(c1cccc2c1OCCCO2)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548761711 1013088667 /nfs/dbraw/zinc/08/86/67/1013088667.db2.gz FZLDVTHCAOCGER-JTQLQIEISA-N -1 1 315.333 0.991 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H]1CCCC1=O ZINC001570917876 948566035 /nfs/dbraw/zinc/56/60/35/948566035.db2.gz HGVOLMJTVCCXLW-QMMMGPOBSA-N -1 1 316.321 0.375 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001570917830 948566131 /nfs/dbraw/zinc/56/61/31/948566131.db2.gz FSGJIRNTIDAOFJ-DTWKUNHWSA-N -1 1 316.321 0.790 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001570917830 948566140 /nfs/dbraw/zinc/56/61/40/948566140.db2.gz FSGJIRNTIDAOFJ-DTWKUNHWSA-N -1 1 316.321 0.790 20 0 DCADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)Cc1cccc(F)c1 ZINC001570918384 948572924 /nfs/dbraw/zinc/57/29/24/948572924.db2.gz DKJYTAZTIGUYBM-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)Cc1cccc(F)c1 ZINC001570918384 948572927 /nfs/dbraw/zinc/57/29/27/948572927.db2.gz DKJYTAZTIGUYBM-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM O=C(CC1CC1)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001570918827 948580561 /nfs/dbraw/zinc/58/05/61/948580561.db2.gz LATVQXHSPDUNSI-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(CC1CC1)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001570918827 948580569 /nfs/dbraw/zinc/58/05/69/948580569.db2.gz LATVQXHSPDUNSI-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O[C@@H]1CC[C@H]2CCN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)[C@@H]12 ZINC001570919851 948592434 /nfs/dbraw/zinc/59/24/34/948592434.db2.gz BNLCGJWXGQBOGB-RLCGTCKNSA-N -1 1 313.365 0.884 20 0 DCADMM O[C@@H]1CC[C@H]2CCN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)[C@@H]12 ZINC001570919851 948592439 /nfs/dbraw/zinc/59/24/39/948592439.db2.gz BNLCGJWXGQBOGB-RLCGTCKNSA-N -1 1 313.365 0.884 20 0 DCADMM CC(C)C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001570921050 948612274 /nfs/dbraw/zinc/61/22/74/948612274.db2.gz LVNPSLVTGLEVEV-ONGXEEELSA-N -1 1 316.369 0.572 20 0 DCADMM CC(C)C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001570921050 948612279 /nfs/dbraw/zinc/61/22/79/948612279.db2.gz LVNPSLVTGLEVEV-ONGXEEELSA-N -1 1 316.369 0.572 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1c2c(ccc1F)OCO2 ZINC001570921160 948615910 /nfs/dbraw/zinc/61/59/10/948615910.db2.gz PNPLPTNMAZPYGI-UHFFFAOYSA-N -1 1 317.240 0.710 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1c2c(ccc1F)OCO2 ZINC001570921160 948615914 /nfs/dbraw/zinc/61/59/14/948615914.db2.gz PNPLPTNMAZPYGI-UHFFFAOYSA-N -1 1 317.240 0.710 20 0 DCADMM O=C(NCc1ncccn1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001570921371 948619890 /nfs/dbraw/zinc/61/98/90/948619890.db2.gz XKRUCUVBBHGWQG-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1ncccn1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001570921371 948619893 /nfs/dbraw/zinc/61/98/93/948619893.db2.gz XKRUCUVBBHGWQG-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM CO[C@H]1C[C@H](CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001570922068 948633691 /nfs/dbraw/zinc/63/36/91/948633691.db2.gz UQWYRKWNPNIARQ-KYZUINATSA-N -1 1 318.337 0.431 20 0 DCADMM CN(C)c1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001570922248 948637097 /nfs/dbraw/zinc/63/70/97/948637097.db2.gz CWXAMYCWIKYETI-UHFFFAOYSA-N -1 1 324.348 0.999 20 0 DCADMM CC[C@@H](NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)[C@H](C)O ZINC001570923344 948659938 /nfs/dbraw/zinc/65/99/38/948659938.db2.gz YCZVSPNCTOJXJU-OIBJUYFYSA-N -1 1 321.341 0.551 20 0 DCADMM NC(=O)[C@H](F)C1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001570932947 948869093 /nfs/dbraw/zinc/86/90/93/948869093.db2.gz ZEHAATSFLXMKQX-SNVBAGLBSA-N -1 1 322.300 0.135 20 0 DCADMM NC(=O)[C@H](F)C1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001570932947 948869111 /nfs/dbraw/zinc/86/91/11/948869111.db2.gz ZEHAATSFLXMKQX-SNVBAGLBSA-N -1 1 322.300 0.135 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)CCc3ccnn3C)nc2n1 ZINC001328625173 948993893 /nfs/dbraw/zinc/99/38/93/948993893.db2.gz YLSCBTJENNTYRF-UHFFFAOYSA-N -1 1 301.310 0.031 20 0 DCADMM C[C@H](c1nncn1C)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001264978071 949130029 /nfs/dbraw/zinc/13/00/29/949130029.db2.gz BCJRNXKKOPXZAL-LLVKDONJSA-N -1 1 318.381 0.729 20 0 DCADMM CCc1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)cc(=O)[nH]1 ZINC001364383566 949157954 /nfs/dbraw/zinc/15/79/54/949157954.db2.gz QJUQHKUHLNVSMT-JTQLQIEISA-N -1 1 304.310 0.076 20 0 DCADMM C[C@H]1CCn2cc(C(=O)N3CCOC[C@H]3c3nn[n-]n3)nc2C1 ZINC001364383485 949160925 /nfs/dbraw/zinc/16/09/25/949160925.db2.gz NORSXCYCLHDJIV-ONGXEEELSA-N -1 1 317.353 0.192 20 0 DCADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC001364384515 949161076 /nfs/dbraw/zinc/16/10/76/949161076.db2.gz XDZFKZCELXKITP-KWQFWETISA-N -1 1 319.369 0.633 20 0 DCADMM CC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573791599 949227320 /nfs/dbraw/zinc/22/73/20/949227320.db2.gz CTOCQGOCUCAGGV-SECBINFHSA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573791599 949227340 /nfs/dbraw/zinc/22/73/40/949227340.db2.gz CTOCQGOCUCAGGV-SECBINFHSA-N -1 1 316.369 0.716 20 0 DCADMM CCOC[C@@H](O)C[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001364455153 949339691 /nfs/dbraw/zinc/33/96/91/949339691.db2.gz AEKGIFNPVBDBFI-DCAQKATOSA-N -1 1 312.332 0.915 20 0 DCADMM Cn1ccnc1[C@H](NC(=O)CCCc1nn[n-]n1)C(F)(F)F ZINC001364482117 949396750 /nfs/dbraw/zinc/39/67/50/949396750.db2.gz FOMXGDZUQYIQNL-VIFPVBQESA-N -1 1 317.275 0.676 20 0 DCADMM C[C@@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575866530 949417818 /nfs/dbraw/zinc/41/78/18/949417818.db2.gz GNSZIAGZWDTZNP-RKDXNWHRSA-N -1 1 322.394 0.841 20 0 DCADMM C[C@@H]1CCCc2ncc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)n21 ZINC001548761773 1013093046 /nfs/dbraw/zinc/09/30/46/1013093046.db2.gz HKDINGSDGSISCD-NXEZZACHSA-N -1 1 301.354 0.923 20 0 DCADMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)c1cscn1 ZINC001364505803 949444531 /nfs/dbraw/zinc/44/45/31/949444531.db2.gz BYTMTNUOUXZBPN-UHFFFAOYSA-N -1 1 312.307 0.276 20 0 DCADMM CCc1cc(C(=O)Nc2[n-]nc(OCCO)c2C(=O)OC)no1 ZINC001364509102 949455037 /nfs/dbraw/zinc/45/50/37/949455037.db2.gz KBTMYXDDOAOGDU-UHFFFAOYSA-N -1 1 324.293 0.370 20 0 DCADMM O=C([O-])c1cccc(C(=O)NCc2nnc([C@H]3CCOC3)[nH]2)c1 ZINC001595241337 949461067 /nfs/dbraw/zinc/46/10/67/949461067.db2.gz RAJRIPSTUCWQBS-NSHDSACASA-N -1 1 316.317 0.937 20 0 DCADMM O=C([O-])c1cccc(C(=O)NCc2n[nH]c([C@H]3CCOC3)n2)c1 ZINC001595241337 949461082 /nfs/dbraw/zinc/46/10/82/949461082.db2.gz RAJRIPSTUCWQBS-NSHDSACASA-N -1 1 316.317 0.937 20 0 DCADMM Cc1cc(=O)[nH]c(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)n1 ZINC001364520241 949472903 /nfs/dbraw/zinc/47/29/03/949472903.db2.gz UQYZSVFIVRVRKL-UHFFFAOYSA-N -1 1 307.398 0.087 20 0 DCADMM CC1(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575537038 949486040 /nfs/dbraw/zinc/48/60/40/949486040.db2.gz QTLIRDCWYSLIJM-VIFPVBQESA-N -1 1 314.353 0.470 20 0 DCADMM CC1(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575537038 949486051 /nfs/dbraw/zinc/48/60/51/949486051.db2.gz QTLIRDCWYSLIJM-VIFPVBQESA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C[C@H]1COc2ccccc2O1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548762430 1013093000 /nfs/dbraw/zinc/09/30/00/1013093000.db2.gz OZCWXRKVSIPMIC-MNOVXSKESA-N -1 1 315.333 0.746 20 0 DCADMM COc1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)sn1 ZINC001364550276 949540460 /nfs/dbraw/zinc/54/04/60/949540460.db2.gz SYOQLUBDUIBJDK-UHFFFAOYSA-N -1 1 322.346 0.650 20 0 DCADMM O=C(c1ocnc1C(F)(F)F)N1CC[C@H](c2nn[n-]n2)C1 ZINC001364567759 949559020 /nfs/dbraw/zinc/55/90/20/949559020.db2.gz MEAADFBGFYVDLD-YFKPBYRVSA-N -1 1 302.216 0.836 20 0 DCADMM C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001364569285 949566282 /nfs/dbraw/zinc/56/62/82/949566282.db2.gz SNBPOHYCMLGKTP-ZYHUDNBSSA-N -1 1 314.349 0.334 20 0 DCADMM C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001364569277 949567201 /nfs/dbraw/zinc/56/72/01/949567201.db2.gz SNBPOHYCMLGKTP-CMPLNLGQSA-N -1 1 314.349 0.334 20 0 DCADMM CCO[C@@H](C(=O)N(Cc1nn[n-]n1)CC(C)C)[C@H]1CCOC1 ZINC001364651971 949701431 /nfs/dbraw/zinc/70/14/31/949701431.db2.gz QJVKGLNMCUBUFT-WCQYABFASA-N -1 1 311.386 0.626 20 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CCOC(=O)c1nc(NC(=O)[C@H]2COCCO2)[n-]c1Cl ZINC001361770228 958309408 /nfs/dbraw/zinc/30/94/08/958309408.db2.gz ZXNDDGBJFYVDCP-ZCFIWIBFSA-N -1 1 303.702 0.594 20 0 DCADMM COc1ccccc1C(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001367708217 958413495 /nfs/dbraw/zinc/41/34/95/958413495.db2.gz JOQRLLVMXLIBGY-SECBINFHSA-N -1 1 305.338 0.427 20 0 DCADMM CCn1ncnc1CNC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001367725363 958448126 /nfs/dbraw/zinc/44/81/26/958448126.db2.gz IQJKGWNPNZELSA-JTQLQIEISA-N -1 1 304.354 0.307 20 0 DCADMM CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1nn[n-]n1 ZINC001361922610 958492150 /nfs/dbraw/zinc/49/21/50/958492150.db2.gz AKHAZXKZTONEHN-UHFFFAOYSA-N -1 1 301.715 0.509 20 0 DCADMM Cc1c(Cl)c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)nn1C ZINC001361929405 958502296 /nfs/dbraw/zinc/50/22/96/958502296.db2.gz VBOZOPAXKQDRMQ-ZETCQYMHSA-N -1 1 311.733 0.109 20 0 DCADMM Cc1ccc(NC(=O)Cn2cc(CNCC(=O)[O-])nn2)cc1F ZINC001594369742 958539100 /nfs/dbraw/zinc/53/91/00/958539100.db2.gz RRDAKEFBLQAYKB-UHFFFAOYSA-N -1 1 321.312 0.539 20 0 DCADMM CCOC(=O)c1nc(NC(=O)[C@H]2CCC(=O)N2C)[n-]c1Cl ZINC001361967550 958549881 /nfs/dbraw/zinc/54/98/81/958549881.db2.gz GMJZXONTGGKOPH-ZCFIWIBFSA-N -1 1 314.729 0.799 20 0 DCADMM C[C@@]1(C(=O)NC/C=C/CNC(=O)c2ncccc2[O-])CCOC1 ZINC001298356807 958564630 /nfs/dbraw/zinc/56/46/30/958564630.db2.gz NCGQDOCSIVXBNG-WOMSROEHSA-N -1 1 319.361 0.616 20 0 DCADMM NS(=O)(=O)Cc1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001361998881 958589475 /nfs/dbraw/zinc/58/94/75/958589475.db2.gz FBGNRLPOCQVPGX-UHFFFAOYSA-N -1 1 307.331 0.828 20 0 DCADMM C[C@H](CN(C)Cc1cnsn1)NC(=O)c1ncccc1[O-] ZINC001367794248 958593439 /nfs/dbraw/zinc/59/34/39/958593439.db2.gz LLZPOPOJWHBIIA-SECBINFHSA-N -1 1 307.379 0.889 20 0 DCADMM COc1cccc(C[C@@H]2CN(C(=O)[C@H](C)C(=O)[O-])CCN2)c1 ZINC001594126837 958644535 /nfs/dbraw/zinc/64/45/35/958644535.db2.gz YPBIHQFVFXQUQY-WCQYABFASA-N -1 1 306.362 0.759 20 0 DCADMM O=C(NCc1nn[n-]n1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001362046045 958648494 /nfs/dbraw/zinc/64/84/94/958648494.db2.gz TWTXEXZNJLXMCF-VIFPVBQESA-N -1 1 324.703 0.802 20 0 DCADMM O=C(CCc1nn[n-]n1)NCc1cccc(C(=O)NC2CC2)c1 ZINC001362060794 958675065 /nfs/dbraw/zinc/67/50/65/958675065.db2.gz GDWPSXSGRMHZBA-UHFFFAOYSA-N -1 1 314.349 0.341 20 0 DCADMM O=C(Nn1c(=O)[n-][nH]c1=O)c1ncoc1-c1ccc(F)cc1 ZINC001298668022 958677175 /nfs/dbraw/zinc/67/71/75/958677175.db2.gz NGPJLOZAXCCMIR-UHFFFAOYSA-N -1 1 305.225 0.867 20 0 DCADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)Cc1nnc2n1CCC2 ZINC001463951329 1013181630 /nfs/dbraw/zinc/18/16/30/1013181630.db2.gz VBQLLNHOBQGLOU-UHFFFAOYSA-N -1 1 320.378 0.589 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N2CC(C)(CC(F)F)C2)[n-]n1 ZINC001463945329 1013183191 /nfs/dbraw/zinc/18/31/91/1013183191.db2.gz KCMTYXCOGRALRB-UHFFFAOYSA-N -1 1 323.321 0.862 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N2CC(C)(CC(F)F)C2)n[n-]1 ZINC001463945329 1013183199 /nfs/dbraw/zinc/18/31/99/1013183199.db2.gz KCMTYXCOGRALRB-UHFFFAOYSA-N -1 1 323.321 0.862 20 0 DCADMM Cc1cccc(CNC(=O)Cn2cc(CNCC(=O)[O-])nn2)c1 ZINC001594403785 958877700 /nfs/dbraw/zinc/87/77/00/958877700.db2.gz VHVZEPOOHMTWHC-UHFFFAOYSA-N -1 1 317.349 0.077 20 0 DCADMM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NCC=C(Cl)Cl ZINC001376807148 958887226 /nfs/dbraw/zinc/88/72/26/958887226.db2.gz CGBVBDDMYOZUEP-RXMQYKEDSA-N -1 1 322.152 0.310 20 0 DCADMM NC(=O)[C@H]1c2ccccc2CCN1C(=O)CCCc1nn[n-]n1 ZINC001362187579 958895985 /nfs/dbraw/zinc/89/59/85/958895985.db2.gz GVZLIEVMICEZIS-CQSZACIVSA-N -1 1 314.349 0.134 20 0 DCADMM O=C(c1cnn(C2CCC2)c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001362243064 958990961 /nfs/dbraw/zinc/99/09/61/958990961.db2.gz BKQIQSNMAPUUOS-LLVKDONJSA-N -1 1 303.326 0.335 20 0 DCADMM C[C@@H](CNC(=O)c1cc(Cl)no1)NCc1n[nH]c(=O)[n-]1 ZINC001491650594 959013853 /nfs/dbraw/zinc/01/38/53/959013853.db2.gz QWCBLFSTMYJURR-YFKPBYRVSA-N -1 1 300.706 0.060 20 0 DCADMM COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001362266060 959033202 /nfs/dbraw/zinc/03/32/02/959033202.db2.gz FJEAMMFRQKOSST-SDDRHHMPSA-N -1 1 321.381 0.885 20 0 DCADMM COC(=O)c1nc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cs1 ZINC001362270897 959045860 /nfs/dbraw/zinc/04/58/60/959045860.db2.gz QTIUXBWBOHYMCC-SSDOTTSWSA-N -1 1 322.350 0.463 20 0 DCADMM C[S@@](=O)C[C@H](NC(=O)CCCc1nn[n-]n1)c1ccccc1 ZINC001362295465 959090445 /nfs/dbraw/zinc/09/04/45/959090445.db2.gz XNSBIOBVDDWZGW-AMXDTQDGSA-N -1 1 321.406 0.758 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)CC1=O ZINC001362300965 959100590 /nfs/dbraw/zinc/10/05/90/959100590.db2.gz LXQHAHQURLIPKL-QRTLGDNMSA-N -1 1 316.361 0.799 20 0 DCADMM CC(C)Cn1[nH]c(CC(=O)Nc2cc(C(=O)[O-])n[nH]2)cc1=O ZINC001573519382 959120976 /nfs/dbraw/zinc/12/09/76/959120976.db2.gz JRMTZNGQUDJXMZ-UHFFFAOYSA-N -1 1 307.310 0.435 20 0 DCADMM COC(=O)[C@@](C)(O)CNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001362321020 959140795 /nfs/dbraw/zinc/14/07/95/959140795.db2.gz XSBFQACBBXHLFV-HNNXBMFYSA-N -1 1 322.292 0.733 20 0 DCADMM CSCc1n[nH]c(CNC(=O)NCCCCC(=O)[O-])n1 ZINC001594189107 959149783 /nfs/dbraw/zinc/14/97/83/959149783.db2.gz PGYJYEGIBDCTDP-UHFFFAOYSA-N -1 1 301.372 0.722 20 0 DCADMM CSCc1nnc(CNC(=O)NCCCCC(=O)[O-])[nH]1 ZINC001594189107 959149789 /nfs/dbraw/zinc/14/97/89/959149789.db2.gz PGYJYEGIBDCTDP-UHFFFAOYSA-N -1 1 301.372 0.722 20 0 DCADMM O=C(CCc1nn[n-]n1)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC001362361222 959212468 /nfs/dbraw/zinc/21/24/68/959212468.db2.gz YYNBHLZMTIHIAU-IUODEOHRSA-N -1 1 319.340 0.554 20 0 DCADMM C[C@@H](C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-])N(C)C ZINC001594198554 959218561 /nfs/dbraw/zinc/21/85/61/959218561.db2.gz GKQQWZYRMYBFRW-AAEUAGOBSA-N -1 1 322.361 0.639 20 0 DCADMM CSc1ncc(C(=O)N2CCc3n[nH]c(=O)cc3C2)c(=O)[n-]1 ZINC001362367664 959227148 /nfs/dbraw/zinc/22/71/48/959227148.db2.gz MUNVIQBTUSALTP-UHFFFAOYSA-N -1 1 319.346 0.598 20 0 DCADMM CNc1nc(C)cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)n1 ZINC001362371609 959234648 /nfs/dbraw/zinc/23/46/48/959234648.db2.gz VPVSSRINHYKDLG-SECBINFHSA-N -1 1 320.382 0.270 20 0 DCADMM CSCCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001491815387 959256010 /nfs/dbraw/zinc/25/60/10/959256010.db2.gz UNWVGNKUXKZLLU-SNVBAGLBSA-N -1 1 309.391 0.871 20 0 DCADMM CCC[C@@H](NC(=O)c1cnn(CCOC)c1C)c1nn[n-]n1 ZINC001362395672 959272501 /nfs/dbraw/zinc/27/25/01/959272501.db2.gz UMZMQKQRXJDMCS-LLVKDONJSA-N -1 1 307.358 0.622 20 0 DCADMM O=C([C@@H]1CCCc2nn[nH]c21)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001362413426 959307025 /nfs/dbraw/zinc/30/70/25/959307025.db2.gz YXVFWRHQMPCLFK-VXNVDRBHSA-N -1 1 320.382 0.054 20 0 DCADMM C[C@H](O)[C@@](C)(CNC(=O)CCc1nn[n-]n1)Cc1ccccc1 ZINC001362421443 959323213 /nfs/dbraw/zinc/32/32/13/959323213.db2.gz FCZALFCWHZSLBB-BLLLJJGKSA-N -1 1 317.393 0.878 20 0 DCADMM CO[C@H](C(=O)N1CCC(O)(c2nn[n-]n2)CC1)C1CCCC1 ZINC001362436572 959351336 /nfs/dbraw/zinc/35/13/36/959351336.db2.gz LDPNZTFRSUKADJ-NSHDSACASA-N -1 1 309.370 0.215 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2nc(C)c(C)[nH]2)co1 ZINC001362438951 959360297 /nfs/dbraw/zinc/36/02/97/959360297.db2.gz CYSKSKFGWZLUPA-UHFFFAOYSA-N -1 1 312.351 0.458 20 0 DCADMM NC(=O)N1CCc2ccc(NC(=O)CCc3nn[n-]n3)cc21 ZINC001362498309 959470370 /nfs/dbraw/zinc/47/03/70/959470370.db2.gz NYYRBSUWSSBXGH-UHFFFAOYSA-N -1 1 301.310 0.212 20 0 DCADMM O=C(CCCc1nn[n-]n1)N1CCOc2cc(O)ccc2C1 ZINC001362527111 959527029 /nfs/dbraw/zinc/52/70/29/959527029.db2.gz SGDSVBOOCHKTNQ-UHFFFAOYSA-N -1 1 303.322 0.649 20 0 DCADMM O=C([C@@H]1CCc2n[nH]cc2C1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001362558553 959592623 /nfs/dbraw/zinc/59/26/23/959592623.db2.gz ASUSZTDDGSITBG-NXEZZACHSA-N -1 1 301.354 0.434 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)C(=O)NCCF ZINC001362563878 959604713 /nfs/dbraw/zinc/60/47/13/959604713.db2.gz VMWYDPKOIHCTOW-ZETCQYMHSA-N -1 1 316.358 0.417 20 0 DCADMM CCS(=O)(=O)c1ccc(CNC(=O)CCc2nn[n-]n2)cc1 ZINC001362603191 959680201 /nfs/dbraw/zinc/68/02/01/959680201.db2.gz PTUNKPFZVWNFHS-UHFFFAOYSA-N -1 1 323.378 0.242 20 0 DCADMM C[C@](O)(CN[C@H]1CCCCN(CC(=O)[O-])C1=O)C(F)(F)F ZINC001603263092 972448778 /nfs/dbraw/zinc/44/87/78/972448778.db2.gz HFNOXWIWMWEBIX-KWQFWETISA-N -1 1 312.288 0.355 20 0 DCADMM Cc1c(CN2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cnn1C ZINC001594262289 959704482 /nfs/dbraw/zinc/70/44/82/959704482.db2.gz YULLMJPAIHTVBC-LBPRGKRZSA-N -1 1 320.393 0.626 20 0 DCADMM CCC(CC)(NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1nn[n-]n1 ZINC001362626640 959721785 /nfs/dbraw/zinc/72/17/85/959721785.db2.gz SLIIEMQXLINIHF-SNVBAGLBSA-N -1 1 312.443 0.769 20 0 DCADMM CCOC(=O)c1nc([C@H](C)NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)n[n-]1 ZINC001362656864 959778394 /nfs/dbraw/zinc/77/83/94/959778394.db2.gz AUSQKHBXYYPWQL-AXTSPUMRSA-N -1 1 320.349 0.774 20 0 DCADMM CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)[n-]1 ZINC001362656864 959778399 /nfs/dbraw/zinc/77/83/99/959778399.db2.gz AUSQKHBXYYPWQL-AXTSPUMRSA-N -1 1 320.349 0.774 20 0 DCADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)n1 ZINC001362656864 959778406 /nfs/dbraw/zinc/77/84/06/959778406.db2.gz AUSQKHBXYYPWQL-AXTSPUMRSA-N -1 1 320.349 0.774 20 0 DCADMM O=C(CCc1nn[n-]n1)NCC1([C@H](O)c2ccccc2)CC1 ZINC001362657736 959780602 /nfs/dbraw/zinc/78/06/02/959780602.db2.gz YWHJLLYDKWALAJ-CQSZACIVSA-N -1 1 301.350 0.762 20 0 DCADMM O=C(NC1CCN([C@H]2CCOC2=O)CC1)c1ncccc1[O-] ZINC001362661181 959790018 /nfs/dbraw/zinc/79/00/18/959790018.db2.gz FEHRGAOHZPKFFY-NSHDSACASA-N -1 1 305.334 0.297 20 0 DCADMM CCc1nnc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)s1 ZINC001362665940 959795931 /nfs/dbraw/zinc/79/59/31/959795931.db2.gz DUCQCZJWUXJQAG-LURJTMIESA-N -1 1 311.396 0.544 20 0 DCADMM CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)c1ccc([O-])cn1 ZINC001362669213 959802666 /nfs/dbraw/zinc/80/26/66/959802666.db2.gz AYRAEVXEENJICZ-GFCCVEGCSA-N -1 1 308.334 0.970 20 0 DCADMM CN(C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)c1nn[n-]n1 ZINC001362720082 959885234 /nfs/dbraw/zinc/88/52/34/959885234.db2.gz PHILJQZTVQTOPY-UTLUCORTSA-N -1 1 322.369 0.951 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](CCCO)C2)o1 ZINC001362751034 959931797 /nfs/dbraw/zinc/93/17/97/959931797.db2.gz LMAFPXSCUYWODW-JTQLQIEISA-N -1 1 316.379 0.422 20 0 DCADMM Cc1nn(C(C)(C)C)cc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001362757410 959941673 /nfs/dbraw/zinc/94/16/73/959941673.db2.gz FGYZHWPZTVYRRL-LLVKDONJSA-N -1 1 319.369 0.673 20 0 DCADMM CCC(CC)(NC(=O)CS(=O)(=O)CC(C)C)c1nn[n-]n1 ZINC001362782354 959979172 /nfs/dbraw/zinc/97/91/72/959979172.db2.gz CRQWEZZDCZXCSJ-UHFFFAOYSA-N -1 1 317.415 0.402 20 0 DCADMM Cn1c2cc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)ccc2[nH]c1=O ZINC001302935967 960034721 /nfs/dbraw/zinc/03/47/21/960034721.db2.gz FVNUNGCZDXVREV-SECBINFHSA-N -1 1 313.321 0.422 20 0 DCADMM CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001362822259 960043323 /nfs/dbraw/zinc/04/33/23/960043323.db2.gz LOADGSKKPLTXFI-VIFPVBQESA-N -1 1 324.385 0.819 20 0 DCADMM CO[C@@H]1CCn2cc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)nc2C1 ZINC001362825100 960046562 /nfs/dbraw/zinc/04/65/62/960046562.db2.gz MNKVKETWOVFYOU-VHSXEESVSA-N -1 1 319.369 0.233 20 0 DCADMM CS(=O)(=O)c1cc(NC(=O)CCc2nn[n-]n2)ccc1F ZINC001362826271 960048038 /nfs/dbraw/zinc/04/80/38/960048038.db2.gz QENWJSRAWACQIN-UHFFFAOYSA-N -1 1 313.314 0.314 20 0 DCADMM COC[C@@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)c1nn[n-]n1 ZINC001303578443 960051889 /nfs/dbraw/zinc/05/18/89/960051889.db2.gz NYIYWOSDCKPVJN-GFCCVEGCSA-N -1 1 315.333 0.375 20 0 DCADMM COC[C@H](NC(=O)[C@@H](C)n1cnc2ccccc21)c1nn[n-]n1 ZINC001303580056 960054160 /nfs/dbraw/zinc/05/41/60/960054160.db2.gz NYQLCMKKUYCBAB-KOLCDFICSA-N -1 1 315.337 0.614 20 0 DCADMM Cc1nc(CNS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n[nH]1 ZINC000392367956 972476959 /nfs/dbraw/zinc/47/69/59/972476959.db2.gz SMKNFLKBHCSIFP-UHFFFAOYSA-N -1 1 324.362 0.907 20 0 DCADMM COC(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CCC2)ccn1 ZINC001362835850 960063111 /nfs/dbraw/zinc/06/31/11/960063111.db2.gz PHTSCMABMIMURB-UHFFFAOYSA-N -1 1 302.294 0.191 20 0 DCADMM COC(=O)c1cccc(C(=O)NC2(c3nn[n-]n3)CCC2)c1 ZINC001362834944 960065024 /nfs/dbraw/zinc/06/50/24/960065024.db2.gz KINBHNOHEYIMMA-UHFFFAOYSA-N -1 1 301.306 0.796 20 0 DCADMM CCc1nc(OC)ccc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001304364027 960087954 /nfs/dbraw/zinc/08/79/54/960087954.db2.gz LIAHHLLEQFRKLV-UHFFFAOYSA-N -1 1 318.333 0.531 20 0 DCADMM Cc1nnc2c(NCc3nc4c(c(=O)[n-]3)COCC4)nccn12 ZINC001307193094 960144507 /nfs/dbraw/zinc/14/45/07/960144507.db2.gz SSEFMANBDBQNTN-UHFFFAOYSA-N -1 1 313.321 0.613 20 0 DCADMM COC(=O)CC[C@@H](Sc1ncc(C(=O)OC)[n-]1)C(=O)OC ZINC001307332435 960149614 /nfs/dbraw/zinc/14/96/14/960149614.db2.gz XFTRHEAACZRMJD-MRVPVSSYSA-N -1 1 316.335 0.783 20 0 DCADMM COC(=O)CC[C@@H](Sc1nc(C(=O)OC)c[n-]1)C(=O)OC ZINC001307332435 960149619 /nfs/dbraw/zinc/14/96/19/960149619.db2.gz XFTRHEAACZRMJD-MRVPVSSYSA-N -1 1 316.335 0.783 20 0 DCADMM Cn1cc(S(=O)(=O)[N-]CCCCC(C)(C)C)c(=O)[nH]c1=O ZINC001309171456 960191557 /nfs/dbraw/zinc/19/15/57/960191557.db2.gz QBNWRQONEFJXIC-UHFFFAOYSA-N -1 1 317.411 0.981 20 0 DCADMM CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)Cc2nocc2C)C1=O ZINC001309465886 960199466 /nfs/dbraw/zinc/19/94/66/960199466.db2.gz CFQMFFRHQOUWJA-NSHDSACASA-N -1 1 316.339 0.038 20 0 DCADMM Cc1csc(NCC[N-]S(=O)(=O)c2c(C)onc2N)n1 ZINC001309680137 960207236 /nfs/dbraw/zinc/20/72/36/960207236.db2.gz NRSMFRCWKWGPEO-UHFFFAOYSA-N -1 1 317.396 0.721 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)c1cccc(F)c1 ZINC001368830357 960328384 /nfs/dbraw/zinc/32/83/84/960328384.db2.gz FKNZIDRYNJOXAF-BDAKNGLRSA-N -1 1 307.329 0.946 20 0 DCADMM C[C@@H](c1nnnn1C)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001316820424 960350410 /nfs/dbraw/zinc/35/04/10/960350410.db2.gz WMDVQHUYJWUUHE-JTQLQIEISA-N -1 1 319.369 0.124 20 0 DCADMM CC(C)c1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)nn1C ZINC001363116568 960420086 /nfs/dbraw/zinc/42/00/86/960420086.db2.gz MWWYBSRUFWXYER-NSHDSACASA-N -1 1 305.342 0.270 20 0 DCADMM CC(C)(C)CNC(=O)C(C)(C)N[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001588658035 960420804 /nfs/dbraw/zinc/42/08/04/960420804.db2.gz MMQAQTGPVRBYRS-SNVBAGLBSA-N -1 1 313.398 0.202 20 0 DCADMM C[C@H]1CCn2ncc(C(=O)N3CCOC[C@@H]3c3nn[n-]n3)c2C1 ZINC001363116604 960421024 /nfs/dbraw/zinc/42/10/24/960421024.db2.gz NEYPHMZFPADMKM-JOYOIKCWSA-N -1 1 317.353 0.192 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)c2cnc(C)nc2CC)n[n-]1 ZINC001363117830 960422846 /nfs/dbraw/zinc/42/28/46/960422846.db2.gz JQYHXGRSUHMRAF-UHFFFAOYSA-N -1 1 318.337 0.572 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cnc(C)nc2CC)n1 ZINC001363117830 960422851 /nfs/dbraw/zinc/42/28/51/960422851.db2.gz JQYHXGRSUHMRAF-UHFFFAOYSA-N -1 1 318.337 0.572 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)c2cnc(C3CC3)o2)n[n-]1 ZINC001363118377 960423934 /nfs/dbraw/zinc/42/39/34/960423934.db2.gz LTSUFGYTFWVGEK-UHFFFAOYSA-N -1 1 305.294 0.777 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cnc(C3CC3)o2)n1 ZINC001363118377 960423939 /nfs/dbraw/zinc/42/39/39/960423939.db2.gz LTSUFGYTFWVGEK-UHFFFAOYSA-N -1 1 305.294 0.777 20 0 DCADMM CCC(CC)(NC(=O)COCc1cc[nH]c(=O)c1)c1nn[n-]n1 ZINC001363138787 960461518 /nfs/dbraw/zinc/46/15/18/960461518.db2.gz UYNNPRKWMCMEJZ-UHFFFAOYSA-N -1 1 320.353 0.649 20 0 DCADMM CCCNC(=O)Nc1ccc(CC(=O)N(C)c2nn[n-]n2)cc1 ZINC001363150339 960489430 /nfs/dbraw/zinc/48/94/30/960489430.db2.gz OLQVTKNMUXZDRZ-UHFFFAOYSA-N -1 1 317.353 0.937 20 0 DCADMM CCOC(=O)N(C)CCCC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363155487 960495842 /nfs/dbraw/zinc/49/58/42/960495842.db2.gz YTYAOJOLFYANRP-UHFFFAOYSA-N -1 1 312.326 0.373 20 0 DCADMM CC[C@H](NC(C)=O)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001363165565 960517735 /nfs/dbraw/zinc/51/77/35/960517735.db2.gz OLXMJGOOGZUWLA-RYUDHWBXSA-N -1 1 302.338 0.320 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@H]2CSC[C@@H]2C1 ZINC001363167292 960523948 /nfs/dbraw/zinc/52/39/48/960523948.db2.gz IZYWXXTYYLZRBA-MNOVXSKESA-N -1 1 321.402 0.729 20 0 DCADMM Cn1nc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)cc1OC(F)F ZINC001363217857 960626669 /nfs/dbraw/zinc/62/66/69/960626669.db2.gz NDNPYTOKZNSOCT-LURJTMIESA-N -1 1 313.268 0.164 20 0 DCADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2ccc(CO)nc2)n[n-]1 ZINC001363232126 960658051 /nfs/dbraw/zinc/65/80/51/960658051.db2.gz ORWFFAIBLICUPA-MRVPVSSYSA-N -1 1 319.321 0.360 20 0 DCADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2ccc(CO)nc2)[n-]1 ZINC001363232126 960658062 /nfs/dbraw/zinc/65/80/62/960658062.db2.gz ORWFFAIBLICUPA-MRVPVSSYSA-N -1 1 319.321 0.360 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2ccc(CO)nc2)n1 ZINC001363232126 960658075 /nfs/dbraw/zinc/65/80/75/960658075.db2.gz ORWFFAIBLICUPA-MRVPVSSYSA-N -1 1 319.321 0.360 20 0 DCADMM CCc1c[nH]c(CC(=O)N[C@@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)n1 ZINC001377801911 960692298 /nfs/dbraw/zinc/69/22/98/960692298.db2.gz AIJUDQPRMFTUIS-BDAKNGLRSA-N -1 1 321.385 0.021 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC001363257233 960714271 /nfs/dbraw/zinc/71/42/71/960714271.db2.gz YIVKXNATJAYQTI-IUCAKERBSA-N -1 1 313.379 0.482 20 0 DCADMM CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC001363277940 960768000 /nfs/dbraw/zinc/76/80/00/960768000.db2.gz WIOAIVPONWFWCY-NSHDSACASA-N -1 1 322.752 0.856 20 0 DCADMM CSCC[C@H](NC(=O)CCc1cn(C)nc1C)c1nn[n-]n1 ZINC001363280690 960771459 /nfs/dbraw/zinc/77/14/59/960771459.db2.gz ULSYKNQOITWQIP-NSHDSACASA-N -1 1 323.426 0.785 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn(C)c2Cl)o1 ZINC001363321646 960887822 /nfs/dbraw/zinc/88/78/22/960887822.db2.gz LBQWVPRTHFBOKH-UHFFFAOYSA-N -1 1 318.742 0.827 20 0 DCADMM CC(=O)Nc1ccc(CC(=O)NCc2nc([O-])cc(=O)[nH]2)cc1 ZINC001363321208 960887948 /nfs/dbraw/zinc/88/79/48/960887948.db2.gz KRQCKEFXVHPWFI-UHFFFAOYSA-N -1 1 316.317 0.705 20 0 DCADMM CCC(C)(C)CC(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001378506562 960893966 /nfs/dbraw/zinc/89/39/66/960893966.db2.gz DEKJRISVKNRICO-NSHDSACASA-N -1 1 323.441 0.871 20 0 DCADMM C[C@H](CC(=O)[O-])NC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC001571074903 960945336 /nfs/dbraw/zinc/94/53/36/960945336.db2.gz NNMATVOCKRVWOG-SSDOTTSWSA-N -1 1 301.324 0.046 20 0 DCADMM O=C([O-])[C@@H](NC(=O)Cc1n[nH]c(C2CC2)n1)c1ccccn1 ZINC001571074908 960945395 /nfs/dbraw/zinc/94/53/95/960945395.db2.gz NSXUGBOOJGGEGO-LBPRGKRZSA-N -1 1 301.306 0.562 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCc1cncc(F)c1 ZINC001363352605 960961443 /nfs/dbraw/zinc/96/14/43/960961443.db2.gz ZHTAUGOJQLSSPF-UHFFFAOYSA-N -1 1 304.281 0.368 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)[C@@H]1COc2ccccc2O1 ZINC001363363187 960988073 /nfs/dbraw/zinc/98/80/73/960988073.db2.gz PPTLOBLLTCCHSU-NSHDSACASA-N -1 1 301.306 0.535 20 0 DCADMM CCc1cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc(=O)[nH]1 ZINC001571085783 961058849 /nfs/dbraw/zinc/05/88/49/961058849.db2.gz SXKQWQODPUSZJL-LLVKDONJSA-N -1 1 304.306 0.498 20 0 DCADMM C[C@](O)(CC(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccccc1 ZINC001363406754 961090138 /nfs/dbraw/zinc/09/01/38/961090138.db2.gz DXDVUEBEOGCWDN-WFASDCNBSA-N -1 1 317.349 0.397 20 0 DCADMM Cc1c(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cnn1C(C)(C)C ZINC001363409379 961100198 /nfs/dbraw/zinc/10/01/98/961100198.db2.gz GYKQRHLPZJLGDT-LLVKDONJSA-N -1 1 319.369 0.673 20 0 DCADMM COC[C@@H](NC(=O)CCCc1ccc(O)c(F)c1)c1nn[n-]n1 ZINC001363415100 961107455 /nfs/dbraw/zinc/10/74/55/961107455.db2.gz NNWLKFKCNYZRDX-LLVKDONJSA-N -1 1 323.328 0.871 20 0 DCADMM Cc1cc(C[C@H](C)NC(=O)Nc2cc(C(=O)[O-])nn2C)n[nH]1 ZINC001571091969 961112561 /nfs/dbraw/zinc/11/25/61/961112561.db2.gz MBABMBZCFKBVKT-ZETCQYMHSA-N -1 1 306.326 0.903 20 0 DCADMM COC[C@@H](NC(=O)COc1cccc(Cl)c1)c1nn[n-]n1 ZINC001363419294 961115034 /nfs/dbraw/zinc/11/50/34/961115034.db2.gz VXQVQRIPBXJJSA-SNVBAGLBSA-N -1 1 311.729 0.736 20 0 DCADMM COC[C@@H](NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1nn[n-]n1 ZINC001363420668 961120238 /nfs/dbraw/zinc/12/02/38/961120238.db2.gz YKXHTULIKRAAGF-NFMODRRSSA-N -1 1 323.353 0.125 20 0 DCADMM Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)o1 ZINC001377990197 961130794 /nfs/dbraw/zinc/13/07/94/961130794.db2.gz DJFKGZUWOQUVNW-SECBINFHSA-N -1 1 307.354 0.260 20 0 DCADMM COC[C@@H](NC(=O)[C@H]1Cc2cc(F)ccc2O1)c1nn[n-]n1 ZINC001363429011 961133216 /nfs/dbraw/zinc/13/32/16/961133216.db2.gz CRPXPABYQRRMMO-MWLCHTKSSA-N -1 1 307.285 0.146 20 0 DCADMM O=C(Cn1cc(C2CC2)nn1)N1CCC[C@H](Cc2nn[n-]n2)C1 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CCOC(CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)OCC ZINC001596774047 985199751 /nfs/dbraw/zinc/19/97/51/985199751.db2.gz AGTOGFPNQXFWCC-LBPRGKRZSA-N -1 1 316.398 0.783 20 0 DCADMM C[C@H]1CN(CC(=O)NCC(=O)OC(C)(C)C)CC[C@H]1C(=O)[O-] ZINC001599927802 985238828 /nfs/dbraw/zinc/23/88/28/985238828.db2.gz IEYKBACSXABDCX-WDEREUQCSA-N -1 1 314.382 0.487 20 0 DCADMM C[C@@H]1CN(C(=O)c2ncccc2N(C)C)CCN1CCC(=O)[O-] ZINC001594496654 985647695 /nfs/dbraw/zinc/64/76/95/985647695.db2.gz VOKZTJJLZKGWPJ-GFCCVEGCSA-N -1 1 320.393 0.769 20 0 DCADMM C[C@H]1CN(C(=O)c2cnc3nccn3c2)CCN1CCC(=O)[O-] ZINC001594496726 985649172 /nfs/dbraw/zinc/64/91/72/985649172.db2.gz XYJHMOFLROMQFR-NSHDSACASA-N -1 1 317.349 0.350 20 0 DCADMM C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594498684 985658449 /nfs/dbraw/zinc/65/84/49/985658449.db2.gz JVWUJTQKRWPXON-PSASIEDQSA-N -1 1 317.367 0.334 20 0 DCADMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001594505539 985713429 /nfs/dbraw/zinc/71/34/29/985713429.db2.gz FSQIBYIARBOIKV-SNVBAGLBSA-N -1 1 309.366 0.630 20 0 DCADMM CCCCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001384785842 985816338 /nfs/dbraw/zinc/81/63/38/985816338.db2.gz GHMVCBJDYNEUCY-DGCLKSJQSA-N -1 1 321.377 0.669 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CCc1cncnc1 ZINC001594513991 985819373 /nfs/dbraw/zinc/81/93/73/985819373.db2.gz BQBIHRVDAKFCNU-LBPRGKRZSA-N -1 1 306.366 0.417 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CCCC(=O)N(C)C ZINC001594514364 985834051 /nfs/dbraw/zinc/83/40/51/985834051.db2.gz GEEAHBZPXDKYGV-GFCCVEGCSA-N -1 1 313.398 0.252 20 0 DCADMM C[C@@H]1CN(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C[C@H](C)O1 ZINC001594515637 985881359 /nfs/dbraw/zinc/88/13/59/985881359.db2.gz JHRUEINKNNUANX-RWMBFGLXSA-N -1 1 313.398 0.696 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1ncccc1F ZINC001594516498 985906986 /nfs/dbraw/zinc/90/69/86/985906986.db2.gz OYSZMGILCRGJCX-NSHDSACASA-N -1 1 309.341 0.771 20 0 DCADMM CO[C@H](C)CC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001384942803 985968325 /nfs/dbraw/zinc/96/83/25/985968325.db2.gz SGEQDTLZXRTYIT-UTUOFQBUSA-N -1 1 321.377 0.837 20 0 DCADMM CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001384964785 985987171 /nfs/dbraw/zinc/98/71/71/985987171.db2.gz JZBLGCXXQQFUPJ-WYUUTHIRSA-N -1 1 319.361 0.684 20 0 DCADMM CCOCCO[C@H](C)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001596932166 986029347 /nfs/dbraw/zinc/02/93/47/986029347.db2.gz OOTQVPWMIBORGH-CHWSQXEVSA-N -1 1 316.398 0.435 20 0 DCADMM CCOCCOCC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001596934650 986041008 /nfs/dbraw/zinc/04/10/08/986041008.db2.gz FLJWRDZITCGYAW-LBPRGKRZSA-N -1 1 302.371 0.047 20 0 DCADMM CC[C@@H](OC)C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385364494 986295999 /nfs/dbraw/zinc/29/59/99/986295999.db2.gz FMCULEZOTBSMPB-CYBMUJFWSA-N -1 1 321.377 0.933 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)[C@@H](C)CN1 ZINC001594557416 986304609 /nfs/dbraw/zinc/30/46/09/986304609.db2.gz YSKRNPXJQIQCTC-IUCAKERBSA-N -1 1 316.354 0.895 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)[C@H](C)CN1 ZINC001594557474 986304896 /nfs/dbraw/zinc/30/48/96/986304896.db2.gz ZZUPKEJUDHMKNW-GHMZBOCLSA-N -1 1 312.391 0.685 20 0 DCADMM C[C@H]1CN2CCN1C[C@@H]2C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001594584711 986467463 /nfs/dbraw/zinc/46/74/63/986467463.db2.gz LHUJOYTZWDDUMD-XHDPSFHLSA-N -1 1 315.373 0.662 20 0 DCADMM CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001385625970 986481462 /nfs/dbraw/zinc/48/14/62/986481462.db2.gz IZHHNYJIYLWXLW-QWRGUYRKSA-N -1 1 307.350 0.543 20 0 DCADMM C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CC[C@](O)(C(=O)[O-])C1 ZINC001589409975 986609457 /nfs/dbraw/zinc/60/94/57/986609457.db2.gz OPFBOEVAFYDRGD-MEDUHNTESA-N -1 1 324.352 0.394 20 0 DCADMM O=C(NC[C@@H](NC(=O)c1ncccc1[O-])C1CC1)c1cn[nH]c1 ZINC001385843977 986626818 /nfs/dbraw/zinc/62/68/18/986626818.db2.gz KXVOPEZACQDUBC-LLVKDONJSA-N -1 1 315.333 0.449 20 0 DCADMM CCOc1cccc(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])n1 ZINC001597150091 986923848 /nfs/dbraw/zinc/92/38/48/986923848.db2.gz NYNMCHPAVPPTOS-LBPRGKRZSA-N -1 1 318.333 0.558 20 0 DCADMM Cc1nccc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001386269823 987019325 /nfs/dbraw/zinc/01/93/25/987019325.db2.gz OLSTVYHYYHVKMP-SECBINFHSA-N -1 1 315.333 0.434 20 0 DCADMM C[C@@H](CNC(=O)c1cccnn1)NC(=O)c1ncccc1[O-] ZINC001386434119 987145515 /nfs/dbraw/zinc/14/55/15/987145515.db2.gz FLSDDJIATHAGNE-VIFPVBQESA-N -1 1 301.306 0.126 20 0 DCADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@]1(C)CCOC1 ZINC001386666466 987285807 /nfs/dbraw/zinc/28/58/07/987285807.db2.gz AJNICKNIOKSJHJ-BDJLRTHQSA-N -1 1 321.377 0.838 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1cn(C)cn1 ZINC001386849115 987450928 /nfs/dbraw/zinc/45/09/28/987450928.db2.gz CAXGSCWILVZDCB-UHFFFAOYSA-N -1 1 303.322 0.023 20 0 DCADMM CC[C@H]1CC[C@H](C(=O)NCCN(C)C(=O)c2ncccc2[O-])O1 ZINC001386920003 987501818 /nfs/dbraw/zinc/50/18/18/987501818.db2.gz VQLWSRCVDLAXFN-WCQYABFASA-N -1 1 321.377 0.933 20 0 DCADMM CN(CCNC(=O)Cc1cncs1)C(=O)c1ncccc1[O-] ZINC001386948057 987522372 /nfs/dbraw/zinc/52/23/72/987522372.db2.gz OWAFELSWFCIYKW-UHFFFAOYSA-N -1 1 320.374 0.675 20 0 DCADMM Cc1cncn1CC(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001386998396 987556517 /nfs/dbraw/zinc/55/65/17/987556517.db2.gz DBZOWGIARGLACD-UHFFFAOYSA-N -1 1 317.349 0.181 20 0 DCADMM CCc1[nH]c(C(=O)Nc2n[nH]c3ncnn23)c(C)c1C(=O)[O-] ZINC001597378087 987565720 /nfs/dbraw/zinc/56/57/20/987565720.db2.gz HVKXSUJWCVSGOV-UHFFFAOYSA-N -1 1 303.282 0.602 20 0 DCADMM CCc1[nH]c(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1C(=O)OC ZINC001597384611 987588959 /nfs/dbraw/zinc/58/89/59/987588959.db2.gz MWVQRDPLCZREJS-MWLCHTKSSA-N -1 1 310.350 0.631 20 0 DCADMM O=C(NCCN(C(=O)c1ncccc1[O-])C1CC1)c1cnco1 ZINC001387506212 987875179 /nfs/dbraw/zinc/87/51/79/987875179.db2.gz JPDNXHZXEGUIMU-UHFFFAOYSA-N -1 1 316.317 0.810 20 0 DCADMM CSC[C@@H](C)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001387711778 988066882 /nfs/dbraw/zinc/06/68/82/988066882.db2.gz HMUXLRPVMKWKAF-SECBINFHSA-N 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COCC(=O)NC[C@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001390830046 990420800 /nfs/dbraw/zinc/42/08/00/990420800.db2.gz UVQDKOKJDWPKRW-HNNXBMFYSA-N -1 1 307.350 0.448 20 0 DCADMM CN(C)C(=O)[C@H](c1ccccc1)N1CCC(O)(C(=O)[O-])CC1 ZINC001598109017 990495227 /nfs/dbraw/zinc/49/52/27/990495227.db2.gz FDAPZYSRBSSUIE-ZDUSSCGKSA-N -1 1 306.362 0.727 20 0 DCADMM CCN(CCNC(=O)C1CC2(CC2)C1)Cc1nc(=O)n(C)[n-]1 ZINC001390966909 990495876 /nfs/dbraw/zinc/49/58/76/990495876.db2.gz YXDPCNAOIZIKFI-UHFFFAOYSA-N -1 1 307.398 0.237 20 0 DCADMM CN(C)C(=O)c1cccc(NC(=O)CN[C@@H](C(=O)[O-])C2CC2)c1 ZINC001598157251 990649978 /nfs/dbraw/zinc/64/99/78/990649978.db2.gz OZJRNTDKMGBRQN-CQSZACIVSA-N -1 1 319.361 0.780 20 0 DCADMM C[C@H](C(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1)C(C)(C)C ZINC001391389012 990798808 /nfs/dbraw/zinc/79/88/08/990798808.db2.gz RNHBXEMVUODJNM-NEPJUHHUSA-N -1 1 323.441 0.871 20 0 DCADMM CCN(C)C(=O)CN1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001391581493 990977146 /nfs/dbraw/zinc/97/71/46/990977146.db2.gz 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KVZIMIUMRLATOM-JTQLQIEISA-N -1 1 315.443 0.882 20 0 DCADMM CC(C)[C@@H](CNC(=O)[C@@H]1CCCCO1)NCc1n[nH]c(=O)[n-]1 ZINC001406020278 1003272676 /nfs/dbraw/zinc/27/26/76/1003272676.db2.gz XVVXEAIJLAKOMU-MNOVXSKESA-N -1 1 311.386 0.310 20 0 DCADMM CC(C)CCCC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001421154664 1003387566 /nfs/dbraw/zinc/38/75/66/1003387566.db2.gz WDOKTNIHQDSPHY-UHFFFAOYSA-N -1 1 309.414 0.483 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCOC12CCCC2 ZINC001472281787 1016777435 /nfs/dbraw/zinc/77/74/35/1016777435.db2.gz BUCHIWVCMIQDSA-QMMMGPOBSA-N -1 1 309.322 0.728 20 0 DCADMM COc1cnc([C@H]2CCCN2c2cc(=O)n(C)c(=O)[nH]2)[n-]c1=O ZINC001421289556 1003508377 /nfs/dbraw/zinc/50/83/77/1003508377.db2.gz IFWKZQONJMGZKE-MRVPVSSYSA-N -1 1 319.321 0.332 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(C(F)F)o1 ZINC001406415680 1003698072 /nfs/dbraw/zinc/69/80/72/1003698072.db2.gz QTJKGZUOAQPLPN-ZCFIWIBFSA-N -1 1 315.280 0.949 20 0 DCADMM 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COCCOCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821692177 606647846 /nfs/dbraw/zinc/64/78/46/606647846.db2.gz PYQKOAIUTLABRQ-UHFFFAOYSA-N -1 1 307.310 0.358 20 0 DCADMM COCCOCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821692177 606647847 /nfs/dbraw/zinc/64/78/47/606647847.db2.gz PYQKOAIUTLABRQ-UHFFFAOYSA-N -1 1 307.310 0.358 20 0 DCADMM CN1CCO[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)s3)C[C@@H]21 ZINC000821628668 606751996 /nfs/dbraw/zinc/75/19/96/606751996.db2.gz NYPLXPWNVTXRHK-DTWKUNHWSA-N -1 1 320.378 0.083 20 0 DCADMM CN1CCO[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)s3)C[C@@H]21 ZINC000821628668 606751997 /nfs/dbraw/zinc/75/19/97/606751997.db2.gz NYPLXPWNVTXRHK-DTWKUNHWSA-N -1 1 320.378 0.083 20 0 DCADMM CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820837715 606825651 /nfs/dbraw/zinc/82/56/51/606825651.db2.gz LWOSPWYMXVOZOM-VIFPVBQESA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820837715 606825652 /nfs/dbraw/zinc/82/56/52/606825652.db2.gz LWOSPWYMXVOZOM-VIFPVBQESA-N -1 1 302.342 0.104 20 0 DCADMM O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823162629 606986183 /nfs/dbraw/zinc/98/61/83/606986183.db2.gz YJIMNJVETVCRCW-QMMMGPOBSA-N -1 1 315.362 0.939 20 0 DCADMM C[C@H]1SCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@@H]1C ZINC000820820080 607069727 /nfs/dbraw/zinc/06/97/27/607069727.db2.gz MNBIQBFRWPANNS-HTQZYQBOSA-N -1 1 322.398 0.958 20 0 DCADMM C[C@H]1SCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@@H]1C ZINC000820820080 607069729 /nfs/dbraw/zinc/06/97/29/607069729.db2.gz MNBIQBFRWPANNS-HTQZYQBOSA-N -1 1 322.398 0.958 20 0 DCADMM C[C@H]1N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCOC1(C)C ZINC000820819108 607069859 /nfs/dbraw/zinc/06/98/59/607069859.db2.gz FDRJMXYIJAJTDQ-MRVPVSSYSA-N -1 1 320.357 0.631 20 0 DCADMM C[C@H]1N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCOC1(C)C ZINC000820819108 607069861 /nfs/dbraw/zinc/06/98/61/607069861.db2.gz FDRJMXYIJAJTDQ-MRVPVSSYSA-N -1 1 320.357 0.631 20 0 DCADMM COCc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)no1 ZINC000821695043 607104549 /nfs/dbraw/zinc/10/45/49/607104549.db2.gz GNRPKIICBCLTHU-UHFFFAOYSA-N -1 1 307.295 0.710 20 0 DCADMM COCc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)no1 ZINC000821695043 607104547 /nfs/dbraw/zinc/10/45/47/607104547.db2.gz GNRPKIICBCLTHU-UHFFFAOYSA-N -1 1 307.295 0.710 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc2n[nH]nc2c1 ZINC000823380294 607111001 /nfs/dbraw/zinc/11/10/01/607111001.db2.gz VCXCTADAWCGYQJ-UHFFFAOYSA-N -1 1 313.306 0.847 20 0 DCADMM O=C(CCn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)cc(F)c1 ZINC000822986919 607162095 /nfs/dbraw/zinc/16/20/95/607162095.db2.gz MUMBLHDCRDXMAX-UHFFFAOYSA-N -1 1 320.263 0.765 20 0 DCADMM Cn1ccc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc21 ZINC000822689565 607210742 /nfs/dbraw/zinc/21/07/42/607210742.db2.gz MRZLCIVXKDSMIX-UHFFFAOYSA-N -1 1 323.320 0.589 20 0 DCADMM CC(C)(C)C[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819906018 607211600 /nfs/dbraw/zinc/21/16/00/607211600.db2.gz AHAPPDWIUGZTEU-SNVBAGLBSA-N -1 1 318.385 0.885 20 0 DCADMM CCc1csc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000821499041 607214042 /nfs/dbraw/zinc/21/40/42/607214042.db2.gz BSYGTNONLVCWBL-UHFFFAOYSA-N -1 1 305.327 0.116 20 0 DCADMM CC[C@H](C)[C@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820862280 607218215 /nfs/dbraw/zinc/21/82/15/607218215.db2.gz QAEWANQCGWCYAW-WDEREUQCSA-N -1 1 318.385 0.885 20 0 DCADMM CC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC000820913336 607218660 /nfs/dbraw/zinc/21/86/60/607218660.db2.gz FTUKXFFAJKUNLE-JTQLQIEISA-N -1 1 313.325 0.121 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC2CCC1CC2 ZINC000823126374 607225211 /nfs/dbraw/zinc/22/52/11/607225211.db2.gz JNWFBPVCPDWSLR-UDNWOFFPSA-N -1 1 302.342 0.153 20 0 DCADMM c1ccc(CO[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)nc1 ZINC000823788055 607226141 /nfs/dbraw/zinc/22/61/41/607226141.db2.gz UCXQLDLRZNMWAT-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM c1ccc(CO[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)nc1 ZINC000823788055 607226142 /nfs/dbraw/zinc/22/61/42/607226142.db2.gz UCXQLDLRZNMWAT-LBPRGKRZSA-N -1 1 324.348 0.847 20 0 DCADMM Cc1nc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)s1 ZINC000822435839 607239071 /nfs/dbraw/zinc/23/90/71/607239071.db2.gz CFPALAIAUVIHBE-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM Cc1nc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)s1 ZINC000822435839 607239072 /nfs/dbraw/zinc/23/90/72/607239072.db2.gz CFPALAIAUVIHBE-UHFFFAOYSA-N -1 1 318.366 0.855 20 0 DCADMM CC(C)CN(CC(N)=O)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824255476 607848752 /nfs/dbraw/zinc/84/87/52/607848752.db2.gz KYHRMWQTKLTOID-UHFFFAOYSA-N -1 1 309.761 0.863 20 0 DCADMM CC(C)CN(CC(N)=O)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824255476 607848753 /nfs/dbraw/zinc/84/87/53/607848753.db2.gz KYHRMWQTKLTOID-UHFFFAOYSA-N -1 1 309.761 0.863 20 0 DCADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)N1CCOCC1 ZINC000826418873 607866432 /nfs/dbraw/zinc/86/64/32/607866432.db2.gz ZQQCTAUPXXAHAL-UHFFFAOYSA-N -1 1 307.285 0.243 20 0 DCADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)N1CCOCC1 ZINC000826418873 607866433 /nfs/dbraw/zinc/86/64/33/607866433.db2.gz ZQQCTAUPXXAHAL-UHFFFAOYSA-N -1 1 307.285 0.243 20 0 DCADMM Cn1cc([C@@H](CO)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000826358993 607935188 /nfs/dbraw/zinc/93/51/88/607935188.db2.gz QWWHPLNEJHZRQW-SECBINFHSA-N -1 1 320.744 0.794 20 0 DCADMM Cn1cc([C@@H](CO)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000826358993 607935189 /nfs/dbraw/zinc/93/51/89/607935189.db2.gz QWWHPLNEJHZRQW-SECBINFHSA-N -1 1 320.744 0.794 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)NCC[C@H](C)O)cc1-c1nn[n-]n1 ZINC000826229498 607961925 /nfs/dbraw/zinc/96/19/25/607961925.db2.gz GYWGEDXKRULWNG-LURJTMIESA-N -1 1 324.366 0.190 20 0 DCADMM Oc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826511565 607988024 /nfs/dbraw/zinc/98/80/24/607988024.db2.gz VOHZRZWTNBMYTC-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Oc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826511565 607988025 /nfs/dbraw/zinc/98/80/25/607988025.db2.gz VOHZRZWTNBMYTC-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825082760 607994247 /nfs/dbraw/zinc/99/42/47/607994247.db2.gz VMTCRDAAVHWVJX-KOLCDFICSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825082760 607994248 /nfs/dbraw/zinc/99/42/48/607994248.db2.gz VMTCRDAAVHWVJX-KOLCDFICSA-N -1 1 304.354 0.789 20 0 DCADMM Cc1nn(Cc2ncc(C3CC3)o2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334649 608022346 /nfs/dbraw/zinc/02/23/46/608022346.db2.gz DABJJRSVJBNHHD-UHFFFAOYSA-N -1 1 313.321 0.954 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824507820 608031681 /nfs/dbraw/zinc/03/16/81/608031681.db2.gz YQDNRQJSMNLXBV-ZETCQYMHSA-N -1 1 301.314 0.811 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824507820 608031682 /nfs/dbraw/zinc/03/16/82/608031682.db2.gz YQDNRQJSMNLXBV-ZETCQYMHSA-N -1 1 301.314 0.811 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1c[nH]c2cccc(F)c12 ZINC000826394959 608078289 /nfs/dbraw/zinc/07/82/89/608078289.db2.gz GPARXBZKPKVOJS-UHFFFAOYSA-N -1 1 312.268 0.954 20 0 DCADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)sc2nccn12 ZINC000826235954 608119944 /nfs/dbraw/zinc/11/99/44/608119944.db2.gz VGDKAIBZANFODL-UHFFFAOYSA-N -1 1 315.322 0.352 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000824883439 608165703 /nfs/dbraw/zinc/16/57/03/608165703.db2.gz GZBVXODDCYGOSP-ZJUUUORDSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000824883439 608165705 /nfs/dbraw/zinc/16/57/05/608165705.db2.gz GZBVXODDCYGOSP-ZJUUUORDSA-N -1 1 302.338 0.807 20 0 DCADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)cnn1C(C)C ZINC000826235818 608199900 /nfs/dbraw/zinc/19/99/00/608199900.db2.gz RWTRGRIIRLIWJK-UHFFFAOYSA-N -1 1 301.314 0.420 20 0 DCADMM CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824166898 608202041 /nfs/dbraw/zinc/20/20/41/608202041.db2.gz MAGGVJKROJGEBI-LLVKDONJSA-N -1 1 302.338 0.637 20 0 DCADMM CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824166898 608202043 /nfs/dbraw/zinc/20/20/43/608202043.db2.gz MAGGVJKROJGEBI-LLVKDONJSA-N -1 1 302.338 0.637 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)OC(C)(C)C ZINC000825941149 608410748 /nfs/dbraw/zinc/41/07/48/608410748.db2.gz AWWZAMBDXYZVBX-UHFFFAOYSA-N -1 1 320.357 0.936 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)OC(C)(C)C ZINC000825941149 608410749 /nfs/dbraw/zinc/41/07/49/608410749.db2.gz AWWZAMBDXYZVBX-UHFFFAOYSA-N -1 1 320.357 0.936 20 0 DCADMM O[C@]1(C(F)(F)F)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826505123 608423778 /nfs/dbraw/zinc/42/37/78/608423778.db2.gz NIJCZXKAFIVNGM-SECBINFHSA-N -1 1 301.232 0.160 20 0 DCADMM O[C@]1(C(F)(F)F)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826505123 608423779 /nfs/dbraw/zinc/42/37/79/608423779.db2.gz NIJCZXKAFIVNGM-SECBINFHSA-N -1 1 301.232 0.160 20 0 DCADMM COCCN(Cc1ccco1)c1ccc(-c2nnn[n-]2)nn1 ZINC000826159369 608431396 /nfs/dbraw/zinc/43/13/96/608431396.db2.gz CMWIZURNTICVBT-UHFFFAOYSA-N -1 1 301.310 0.903 20 0 DCADMM COCCN(Cc1ccco1)c1ccc(-c2nn[n-]n2)nn1 ZINC000826159369 608431398 /nfs/dbraw/zinc/43/13/98/608431398.db2.gz CMWIZURNTICVBT-UHFFFAOYSA-N -1 1 301.310 0.903 20 0 DCADMM O[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCc2ccccc21 ZINC000826506005 608438315 /nfs/dbraw/zinc/43/83/15/608438315.db2.gz KWENWZSIWNTTAQ-HNNXBMFYSA-N -1 1 309.333 0.903 20 0 DCADMM O[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCc2ccccc21 ZINC000826506005 608438317 /nfs/dbraw/zinc/43/83/17/608438317.db2.gz KWENWZSIWNTTAQ-HNNXBMFYSA-N -1 1 309.333 0.903 20 0 DCADMM c1cc(-c2nnn[n-]2)oc1CN1CCN(c2ncccn2)CC1 ZINC000826525285 608497080 /nfs/dbraw/zinc/49/70/80/608497080.db2.gz DIEGAOQOTVLZJD-UHFFFAOYSA-N -1 1 312.337 0.572 20 0 DCADMM c1cc(-c2nn[n-]n2)oc1CN1CCN(c2ncccn2)CC1 ZINC000826525285 608497082 /nfs/dbraw/zinc/49/70/82/608497082.db2.gz DIEGAOQOTVLZJD-UHFFFAOYSA-N -1 1 312.337 0.572 20 0 DCADMM CC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)OCCO1 ZINC000824829054 608552075 /nfs/dbraw/zinc/55/20/75/608552075.db2.gz CRRFJHIEKHTYIB-UHFFFAOYSA-N -1 1 313.321 0.985 20 0 DCADMM CC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)OCCO1 ZINC000824829054 608552076 /nfs/dbraw/zinc/55/20/76/608552076.db2.gz CRRFJHIEKHTYIB-UHFFFAOYSA-N -1 1 313.321 0.985 20 0 DCADMM CCN(C(C)=O)c1nc(Cn2ccnc2-c2nnn[n-]2)cs1 ZINC000825390891 608889699 /nfs/dbraw/zinc/88/96/99/608889699.db2.gz OXHWEZDLFWPZBQ-UHFFFAOYSA-N -1 1 318.366 0.941 20 0 DCADMM CCN(C(C)=O)c1nc(Cn2ccnc2-c2nn[n-]n2)cs1 ZINC000825390891 608889701 /nfs/dbraw/zinc/88/97/01/608889701.db2.gz OXHWEZDLFWPZBQ-UHFFFAOYSA-N -1 1 318.366 0.941 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000824507122 609158012 /nfs/dbraw/zinc/15/80/12/609158012.db2.gz UGCQKXIYAJLVML-IUCAKERBSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000824507122 609158014 /nfs/dbraw/zinc/15/80/14/609158014.db2.gz UGCQKXIYAJLVML-IUCAKERBSA-N -1 1 320.357 0.537 20 0 DCADMM O=S(=O)(Nc1ccncc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493113 609339008 /nfs/dbraw/zinc/33/90/08/609339008.db2.gz UKEDINMURPXAJG-UHFFFAOYSA-N -1 1 321.297 0.019 20 0 DCADMM O=S(=O)(Nc1ccncc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826493113 609339010 /nfs/dbraw/zinc/33/90/10/609339010.db2.gz UKEDINMURPXAJG-UHFFFAOYSA-N -1 1 321.297 0.019 20 0 DCADMM CCCn1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC000825356917 609392537 /nfs/dbraw/zinc/39/25/37/609392537.db2.gz PWYYNWHYYPZVQQ-UHFFFAOYSA-N -1 1 301.314 0.459 20 0 DCADMM CCCn1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC000825356917 609392538 /nfs/dbraw/zinc/39/25/38/609392538.db2.gz PWYYNWHYYPZVQQ-UHFFFAOYSA-N -1 1 301.314 0.459 20 0 DCADMM Cc1ncccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826330655 609397338 /nfs/dbraw/zinc/39/73/38/609397338.db2.gz CGYWOWHMGZGJPZ-UHFFFAOYSA-N -1 1 318.318 0.733 20 0 DCADMM Cc1ncccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826330655 609397341 /nfs/dbraw/zinc/39/73/41/609397341.db2.gz CGYWOWHMGZGJPZ-UHFFFAOYSA-N -1 1 318.318 0.733 20 0 DCADMM C[C@@H]1CC[C@@]2(CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)C1 ZINC000824919077 609433666 /nfs/dbraw/zinc/43/36/66/609433666.db2.gz RRCYOARKGNQTHD-QMTHXVAHSA-N -1 1 316.369 0.497 20 0 DCADMM CO[C@@H]1CCC[C@@H]1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826146262 609470171 /nfs/dbraw/zinc/47/01/71/609470171.db2.gz SPPCOHPBAILBTL-MWLCHTKSSA-N -1 1 320.353 0.637 20 0 DCADMM CO[C@@H]1CCC[C@@H]1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826146262 609470172 /nfs/dbraw/zinc/47/01/72/609470172.db2.gz SPPCOHPBAILBTL-MWLCHTKSSA-N -1 1 320.353 0.637 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)C2CCC2)CCO1 ZINC000979147673 660672918 /nfs/dbraw/zinc/67/29/18/660672918.db2.gz MGWQCBQMGUXYMV-GXSJLCMTSA-N -1 1 309.370 0.016 20 0 DCADMM Cn1ncnc1CN1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001027843698 660826846 /nfs/dbraw/zinc/82/68/46/660826846.db2.gz GATYGYSLMZOWMF-NSHDSACASA-N -1 1 316.365 0.310 20 0 DCADMM CCC(CC)(NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)[O-] ZINC000317120559 661015529 /nfs/dbraw/zinc/01/55/29/661015529.db2.gz ZGTWKEODDCNWCI-NWDGAFQWSA-N -1 1 313.398 0.792 20 0 DCADMM CCC(CC)(NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)[O-] ZINC000317120558 661015581 /nfs/dbraw/zinc/01/55/81/661015581.db2.gz ZGTWKEODDCNWCI-NEPJUHHUSA-N -1 1 313.398 0.792 20 0 DCADMM 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/nfs/dbraw/zinc/62/18/15/1163621815.db2.gz CIRDOHLQOVSHBJ-NXEZZACHSA-N -1 1 318.385 0.865 20 0 DCADMM COc1c(C(=O)N2CC[C@@H](c3[nH]ncc3C(=O)[O-])C2)cnn1C ZINC001574011172 1163623110 /nfs/dbraw/zinc/62/31/10/1163623110.db2.gz XMTVMUFMGXMTGX-MRVPVSSYSA-N -1 1 319.321 0.480 20 0 DCADMM Cc1noc(CCC(=O)N2CC[C@H](c3[nH]ncc3C(=O)[O-])C2)n1 ZINC001574199264 1163660299 /nfs/dbraw/zinc/66/02/99/1163660299.db2.gz XVLNFWHXJQULHT-VIFPVBQESA-N -1 1 319.321 0.748 20 0 DCADMM O=C([O-])C1=CC[C@@H](NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)C1 ZINC001574333706 1163699287 /nfs/dbraw/zinc/69/92/87/1163699287.db2.gz ICJNQSUXNWTAEV-NXEZZACHSA-N -1 1 321.337 0.629 20 0 DCADMM O=C([O-])C[C@H](O)C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC001574364106 1163705815 /nfs/dbraw/zinc/70/58/15/1163705815.db2.gz WBSMNWHTAGXKAY-MNOVXSKESA-N -1 1 304.306 0.040 20 0 DCADMM O=C([O-])C[N@H+]1CCCN(C(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC001574372481 1163707742 /nfs/dbraw/zinc/70/77/42/1163707742.db2.gz STDPKQQWGFKWQE-UHFFFAOYSA-N -1 1 319.770 0.735 20 0 DCADMM O=C([O-])c1cc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)[nH]n1 ZINC001574409180 1163715920 /nfs/dbraw/zinc/71/59/20/1163715920.db2.gz VDPMZBKMJNXQJL-SECBINFHSA-N -1 1 321.358 0.769 20 0 DCADMM O=C([O-])c1ncc(Br)c(NCCc2nc[nH]n2)n1 ZINC001574423553 1163720549 /nfs/dbraw/zinc/72/05/49/1163720549.db2.gz SMMGJAKMDUPOND-UHFFFAOYSA-N -1 1 313.115 0.132 20 0 DCADMM C[C@H](C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC1 ZINC001574542683 1163730455 /nfs/dbraw/zinc/73/04/55/1163730455.db2.gz NTAQRBYSHYOKHE-RKDXNWHRSA-N -1 1 316.369 0.762 20 0 DCADMM C[C@H](C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC1 ZINC001574542683 1163730460 /nfs/dbraw/zinc/73/04/60/1163730460.db2.gz NTAQRBYSHYOKHE-RKDXNWHRSA-N -1 1 316.369 0.762 20 0 DCADMM CC(C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574809888 1163757878 /nfs/dbraw/zinc/75/78/78/1163757878.db2.gz QYDFUNPRWYERIK-VIFPVBQESA-N -1 1 304.358 0.254 20 0 DCADMM CC(C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574809888 1163757882 /nfs/dbraw/zinc/75/78/82/1163757882.db2.gz QYDFUNPRWYERIK-VIFPVBQESA-N -1 1 304.358 0.254 20 0 DCADMM C[C@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)C ZINC001574824441 1163762400 /nfs/dbraw/zinc/76/24/00/1163762400.db2.gz TXQATGFVGGBRAD-SECBINFHSA-N -1 1 318.385 0.644 20 0 DCADMM C[C@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)C ZINC001574824441 1163762408 /nfs/dbraw/zinc/76/24/08/1163762408.db2.gz TXQATGFVGGBRAD-SECBINFHSA-N -1 1 318.385 0.644 20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574845511 1163768970 /nfs/dbraw/zinc/76/89/70/1163768970.db2.gz AOMCQPVEZIJYHS-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CNC(=O)C1(C)CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574845511 1163768975 /nfs/dbraw/zinc/76/89/75/1163768975.db2.gz AOMCQPVEZIJYHS-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001574845649 1163769123 /nfs/dbraw/zinc/76/91/23/1163769123.db2.gz BKFXFWGBZMDIPE-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001574845649 1163769125 /nfs/dbraw/zinc/76/91/25/1163769125.db2.gz BKFXFWGBZMDIPE-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC1(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574862818 1163775861 /nfs/dbraw/zinc/77/58/61/1163775861.db2.gz VWIHLBMKMXGREZ-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CC1(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574862818 1163775868 /nfs/dbraw/zinc/77/58/68/1163775868.db2.gz VWIHLBMKMXGREZ-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNC(=O)C1CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574869024 1163780144 /nfs/dbraw/zinc/78/01/44/1163780144.db2.gz RLSHXDRZORYDJD-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)C1CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574869024 1163780149 /nfs/dbraw/zinc/78/01/49/1163780149.db2.gz RLSHXDRZORYDJD-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)CCCF)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574904601 1163792653 /nfs/dbraw/zinc/79/26/53/1163792653.db2.gz OWZQHWDYPQNFGI-SECBINFHSA-N -1 1 322.348 0.571 20 0 DCADMM C[C@@H](CNC(=O)CCCF)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574904601 1163792655 /nfs/dbraw/zinc/79/26/55/1163792655.db2.gz OWZQHWDYPQNFGI-SECBINFHSA-N -1 1 322.348 0.571 20 0 DCADMM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccns1 ZINC001575419000 1164007491 /nfs/dbraw/zinc/00/74/91/1164007491.db2.gz WWWFJIZQJQZESX-RXMQYKEDSA-N -1 1 320.338 0.296 20 0 DCADMM C[C@@H](O)C[C@H]1COCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001575479522 1164029674 /nfs/dbraw/zinc/02/96/74/1164029674.db2.gz DIMSDYGSKPUPOF-SCZZXKLOSA-N -1 1 323.378 0.540 20 0 DCADMM CC1(C2(NC(=O)NCCn3cnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575752479 1164135111 /nfs/dbraw/zinc/13/51/11/1164135111.db2.gz KSBVAVZQRSSYBJ-UHFFFAOYSA-N -1 1 317.357 0.090 20 0 DCADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)C1CC1 ZINC001576040915 1164221025 /nfs/dbraw/zinc/22/10/25/1164221025.db2.gz OSOVHWDDMMVZFX-PSASIEDQSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)C1CC1 ZINC001576040915 1164221033 /nfs/dbraw/zinc/22/10/33/1164221033.db2.gz OSOVHWDDMMVZFX-PSASIEDQSA-N -1 1 314.353 0.468 20 0 DCADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)ncn2)CCN1c1cnccn1 ZINC001576362512 1164313014 /nfs/dbraw/zinc/31/30/14/1164313014.db2.gz BSPRKKXZUYFQOV-JTQLQIEISA-N -1 1 324.352 0.162 20 0 DCADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)ncn2)CCN1c1cnccn1 ZINC001576362512 1164313017 /nfs/dbraw/zinc/31/30/17/1164313017.db2.gz BSPRKKXZUYFQOV-JTQLQIEISA-N -1 1 324.352 0.162 20 0 DCADMM C[C@@H]1c2nncn2CCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001576398588 1164324678 /nfs/dbraw/zinc/32/46/78/1164324678.db2.gz KZPUMOVZYYZPKN-SSDOTTSWSA-N -1 1 316.350 0.737 20 0 DCADMM CCC(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001576409278 1164330426 /nfs/dbraw/zinc/33/04/26/1164330426.db2.gz DBZFMUJXBHPNDF-NSHDSACASA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001576409278 1164330432 /nfs/dbraw/zinc/33/04/32/1164330432.db2.gz DBZFMUJXBHPNDF-NSHDSACASA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001576430886 1164340415 /nfs/dbraw/zinc/34/04/15/1164340415.db2.gz WUTVUMVQHLQBKH-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001576430886 1164340420 /nfs/dbraw/zinc/34/04/20/1164340420.db2.gz WUTVUMVQHLQBKH-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576440802 1164346082 /nfs/dbraw/zinc/34/60/82/1164346082.db2.gz MIFKEAVRJOBJKD-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576440802 1164346089 /nfs/dbraw/zinc/34/60/89/1164346089.db2.gz MIFKEAVRJOBJKD-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576445065 1164347877 /nfs/dbraw/zinc/34/78/77/1164347877.db2.gz NYEBBVFKQSWNPZ-ZJUUUORDSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576445065 1164347884 /nfs/dbraw/zinc/34/78/84/1164347884.db2.gz NYEBBVFKQSWNPZ-ZJUUUORDSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576470902 1164353862 /nfs/dbraw/zinc/35/38/62/1164353862.db2.gz ICTZMDNQJPXBGL-UHFFFAOYSA-N -1 1 322.394 0.001 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576478134 1164357039 /nfs/dbraw/zinc/35/70/39/1164357039.db2.gz ZSKKMHGPUFVYCS-MGCOHNPYSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576478134 1164357044 /nfs/dbraw/zinc/35/70/44/1164357044.db2.gz ZSKKMHGPUFVYCS-MGCOHNPYSA-N -1 1 316.369 0.906 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576580860 1164404426 /nfs/dbraw/zinc/40/44/26/1164404426.db2.gz GBMAMCPQZWFWBC-VHSXEESVSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576580860 1164404428 /nfs/dbraw/zinc/40/44/28/1164404428.db2.gz GBMAMCPQZWFWBC-VHSXEESVSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@@H](CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576774390 1164459748 /nfs/dbraw/zinc/45/97/48/1164459748.db2.gz MIVONGIMXWTKBZ-NXEZZACHSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](CC)Nc1nccnc1-c1nnn[n-]1 ZINC001576777671 1164461441 /nfs/dbraw/zinc/46/14/41/1164461441.db2.gz NYTOIAYCVCYQCI-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](CC)Nc1nccnc1-c1nn[n-]n1 ZINC001576777671 1164461447 /nfs/dbraw/zinc/46/14/47/1164461447.db2.gz NYTOIAYCVCYQCI-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](CC)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576778620 1164462263 /nfs/dbraw/zinc/46/22/63/1164462263.db2.gz VVHUVELEPYYMGW-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@H](CC)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576778620 1164462265 /nfs/dbraw/zinc/46/22/65/1164462265.db2.gz VVHUVELEPYYMGW-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CN(CCCNC(=O)[C@@H]1CCOC1)C(=O)c1ncccc1[O-] ZINC001576838151 1164487603 /nfs/dbraw/zinc/48/76/03/1164487603.db2.gz KZSJYCIZUKEYJI-LLVKDONJSA-N -1 1 307.350 0.402 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576939626 1164543865 /nfs/dbraw/zinc/54/38/65/1164543865.db2.gz GQZQYVWFEHRDHQ-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576939626 1164543876 /nfs/dbraw/zinc/54/38/76/1164543876.db2.gz GQZQYVWFEHRDHQ-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576941035 1164548852 /nfs/dbraw/zinc/54/88/52/1164548852.db2.gz NDSGZUMHECHPNL-IUCAKERBSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576941035 1164548858 /nfs/dbraw/zinc/54/88/58/1164548858.db2.gz NDSGZUMHECHPNL-IUCAKERBSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576951841 1164553362 /nfs/dbraw/zinc/55/33/62/1164553362.db2.gz BXWNOYINTLALOD-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576951841 1164553370 /nfs/dbraw/zinc/55/33/70/1164553370.db2.gz BXWNOYINTLALOD-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CO[C@@H](C(=O)N(C)CCCNC(=O)c1ncccc1[O-])C1CC1 ZINC001576973809 1164565645 /nfs/dbraw/zinc/56/56/45/1164565645.db2.gz CDCCEQOJPHDFDM-CQSZACIVSA-N -1 1 321.377 0.791 20 0 DCADMM CCCC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001577191431 1164629152 /nfs/dbraw/zinc/62/91/52/1164629152.db2.gz VXXFIMMVFZEJPB-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001577191431 1164629158 /nfs/dbraw/zinc/62/91/58/1164629158.db2.gz VXXFIMMVFZEJPB-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001577194325 1164629938 /nfs/dbraw/zinc/62/99/38/1164629938.db2.gz JVXFBPZYQQUVEX-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001577194325 1164629942 /nfs/dbraw/zinc/62/99/42/1164629942.db2.gz JVXFBPZYQQUVEX-UWVGGRQHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577210606 1164636435 /nfs/dbraw/zinc/63/64/35/1164636435.db2.gz IYICORXOHOKDBE-SNVBAGLBSA-N -1 1 316.369 0.460 20 0 DCADMM CCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577210606 1164636440 /nfs/dbraw/zinc/63/64/40/1164636440.db2.gz IYICORXOHOKDBE-SNVBAGLBSA-N -1 1 316.369 0.460 20 0 DCADMM CCCC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001577218948 1164640313 /nfs/dbraw/zinc/64/03/13/1164640313.db2.gz PXRRGAKOMBRNAS-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001577218948 1164640319 /nfs/dbraw/zinc/64/03/19/1164640319.db2.gz PXRRGAKOMBRNAS-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001577225721 1164644137 /nfs/dbraw/zinc/64/41/37/1164644137.db2.gz ZCJDZRXGRPGTGV-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001577225721 1164644139 /nfs/dbraw/zinc/64/41/39/1164644139.db2.gz ZCJDZRXGRPGTGV-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC[C@H](C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001577253120 1164652069 /nfs/dbraw/zinc/65/20/69/1164652069.db2.gz BLUTTXPHACTDME-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CCC[C@H](C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001577253120 1164652073 /nfs/dbraw/zinc/65/20/73/1164652073.db2.gz BLUTTXPHACTDME-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CCC[C@H](C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001577253847 1164652085 /nfs/dbraw/zinc/65/20/85/1164652085.db2.gz GSSMFHCGYSIPRL-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CCC[C@H](C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001577253847 1164652087 /nfs/dbraw/zinc/65/20/87/1164652087.db2.gz GSSMFHCGYSIPRL-JTQLQIEISA-N -1 1 318.385 0.963 20 0 DCADMM CCCC[C@](C)(CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001577430795 1164690291 /nfs/dbraw/zinc/69/02/91/1164690291.db2.gz HPJVLSCOOVUSAA-CYBMUJFWSA-N -1 1 322.373 0.663 20 0 DCADMM CCCC[C@](C)(CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001577430795 1164690296 /nfs/dbraw/zinc/69/02/96/1164690296.db2.gz HPJVLSCOOVUSAA-CYBMUJFWSA-N -1 1 322.373 0.663 20 0 DCADMM O=C(CN1Cc2ccccc2OC1=O)[N-]OCc1c[nH]nn1 ZINC001577931075 1164846891 /nfs/dbraw/zinc/84/68/91/1164846891.db2.gz FDJYMXATXIWWBE-UHFFFAOYSA-N -1 1 303.278 0.367 20 0 DCADMM CCN(CCNC(=O)C1(C)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001577932223 1164848845 /nfs/dbraw/zinc/84/88/45/1164848845.db2.gz DLOZXNYYXQUSPX-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)C1(C)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001577932223 1164848854 /nfs/dbraw/zinc/84/88/54/1164848854.db2.gz DLOZXNYYXQUSPX-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@@H]1C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577941478 1164853135 /nfs/dbraw/zinc/85/31/35/1164853135.db2.gz MQCJLOCLSDUMLH-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@H]1C[C@@H]1C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577941478 1164853142 /nfs/dbraw/zinc/85/31/42/1164853142.db2.gz MQCJLOCLSDUMLH-UWVGGRQHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNc1nc(C)cc(-c2nnn[n-]2)n1)C(=O)C(C)C ZINC001578150215 1164938434 /nfs/dbraw/zinc/93/84/34/1164938434.db2.gz IQKONQXGCFDFMJ-UHFFFAOYSA-N -1 1 318.385 0.882 20 0 DCADMM CCN(CCNc1nc(C)cc(-c2nn[n-]n2)n1)C(=O)C(C)C ZINC001578150215 1164938439 /nfs/dbraw/zinc/93/84/39/1164938439.db2.gz IQKONQXGCFDFMJ-UHFFFAOYSA-N -1 1 318.385 0.882 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001578249745 1164963744 /nfs/dbraw/zinc/96/37/44/1164963744.db2.gz XRKGDKALCLWCRG-VHSXEESVSA-N -1 1 318.337 0.239 20 0 DCADMM CCO[C@@H]1CCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001578378957 1164991388 /nfs/dbraw/zinc/99/13/88/1164991388.db2.gz VQQDVQNOHUQJCT-NXEZZACHSA-N -1 1 320.357 0.679 20 0 DCADMM CCO[C@@H]1CCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001578378957 1164991394 /nfs/dbraw/zinc/99/13/94/1164991394.db2.gz VQQDVQNOHUQJCT-NXEZZACHSA-N -1 1 320.357 0.679 20 0 DCADMM CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001578444236 1165018822 /nfs/dbraw/zinc/01/88/22/1165018822.db2.gz NLJLFNHOENWXAC-BDAKNGLRSA-N -1 1 324.366 0.108 20 0 DCADMM CCc1cccc(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)c1 ZINC001578533835 1165050619 /nfs/dbraw/zinc/05/06/19/1165050619.db2.gz AIOXKUBAYPRJQZ-UHFFFAOYSA-N -1 1 313.321 0.972 20 0 DCADMM CCc1nc(NC[C@H]2CCN(C(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001578657811 1165082848 /nfs/dbraw/zinc/08/28/48/1165082848.db2.gz SGDNPOOSAFAIBL-SNVBAGLBSA-N -1 1 316.369 0.499 20 0 DCADMM CCc1nc(NC[C@H]2CCN(C(C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001578657811 1165082854 /nfs/dbraw/zinc/08/28/54/1165082854.db2.gz SGDNPOOSAFAIBL-SNVBAGLBSA-N -1 1 316.369 0.499 20 0 DCADMM CCn1cncc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1=O ZINC001578800566 1165117842 /nfs/dbraw/zinc/11/78/42/1165117842.db2.gz BJGHGMHAWBXCDP-UHFFFAOYSA-N -1 1 301.266 0.289 20 0 DCADMM CN(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)C1(C)CC1 ZINC001579145218 1165222616 /nfs/dbraw/zinc/22/26/16/1165222616.db2.gz XRMLLPIKKBFUMP-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)C1(C)CC1 ZINC001579145218 1165222622 /nfs/dbraw/zinc/22/26/22/1165222622.db2.gz XRMLLPIKKBFUMP-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CO[C@@H](Cc1ccccc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001579595093 1165354674 /nfs/dbraw/zinc/35/46/74/1165354674.db2.gz WIGSGCADAGKPHM-NSHDSACASA-N -1 1 313.321 0.786 20 0 DCADMM CO[C@@H](Cc1ccccc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001579595093 1165354679 /nfs/dbraw/zinc/35/46/79/1165354679.db2.gz WIGSGCADAGKPHM-NSHDSACASA-N -1 1 313.321 0.786 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001579619419 1165361062 /nfs/dbraw/zinc/36/10/62/1165361062.db2.gz RVCNQVWHLQDWMK-JOYOIKCWSA-N -1 1 318.337 0.043 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001579619419 1165361066 /nfs/dbraw/zinc/36/10/66/1165361066.db2.gz RVCNQVWHLQDWMK-JOYOIKCWSA-N -1 1 318.337 0.043 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001579619417 1165361155 /nfs/dbraw/zinc/36/11/55/1165361155.db2.gz RVCNQVWHLQDWMK-BXKDBHETSA-N -1 1 318.337 0.043 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001579619417 1165361160 /nfs/dbraw/zinc/36/11/60/1165361160.db2.gz RVCNQVWHLQDWMK-BXKDBHETSA-N -1 1 318.337 0.043 20 0 DCADMM COC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(C)C ZINC001579697366 1165379807 /nfs/dbraw/zinc/37/98/07/1165379807.db2.gz GEGWHBGMGOKJSA-SNVBAGLBSA-N -1 1 320.353 0.677 20 0 DCADMM COCC1CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001579746611 1165384985 /nfs/dbraw/zinc/38/49/85/1165384985.db2.gz CAQAACYQDJZDEN-UHFFFAOYSA-N -1 1 308.367 0.716 20 0 DCADMM COCc1nocc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001579847059 1165409295 /nfs/dbraw/zinc/40/92/95/1165409295.db2.gz XKPAIUFUHTVMKH-UHFFFAOYSA-N -1 1 315.293 0.326 20 0 DCADMM COCc1nocc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001579847059 1165409304 /nfs/dbraw/zinc/40/93/04/1165409304.db2.gz XKPAIUFUHTVMKH-UHFFFAOYSA-N -1 1 315.293 0.326 20 0 DCADMM COCc1nocc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579846910 1165410466 /nfs/dbraw/zinc/41/04/66/1165410466.db2.gz UMJNXBUTAILDID-UHFFFAOYSA-N -1 1 320.334 0.993 20 0 DCADMM COc1cc(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)on1 ZINC001579916350 1165437033 /nfs/dbraw/zinc/43/70/33/1165437033.db2.gz YLUWAEAMVQQDLK-UHFFFAOYSA-N -1 1 317.265 0.519 20 0 DCADMM COc1nscc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001580151896 1165520881 /nfs/dbraw/zinc/52/08/81/1165520881.db2.gz FAFCCJIBATYGNN-YFKPBYRVSA-N -1 1 321.326 0.123 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)Nc2cn[nH]n2)cc1-c1nn[n-]n1 ZINC001580229836 1165542920 /nfs/dbraw/zinc/54/29/20/1165542920.db2.gz GLUBXEQDIQFGGU-UHFFFAOYSA-N -1 1 319.310 0.060 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc[nH]c1 ZINC001580285084 1165557632 /nfs/dbraw/zinc/55/76/32/1165557632.db2.gz FFRRPHKBUWYNRH-QMMMGPOBSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc[nH]c1 ZINC001580285084 1165557638 /nfs/dbraw/zinc/55/76/38/1165557638.db2.gz FFRRPHKBUWYNRH-QMMMGPOBSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CC1(F)F ZINC001580295556 1165561931 /nfs/dbraw/zinc/56/19/31/1165561931.db2.gz RMWYDTKHRHLJKN-NKWVEPMBSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CC1(F)F ZINC001580295556 1165561938 /nfs/dbraw/zinc/56/19/38/1165561938.db2.gz RMWYDTKHRHLJKN-NKWVEPMBSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCCCCC1 ZINC001580307283 1165565469 /nfs/dbraw/zinc/56/54/69/1165565469.db2.gz PQJFGKRUZZSLDW-SNVBAGLBSA-N -1 1 318.385 0.933 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)[C@H](C)CCO1 ZINC001580326637 1165571657 /nfs/dbraw/zinc/57/16/57/1165571657.db2.gz KIYZZKOOWCAGQL-GHMZBOCLSA-N -1 1 316.365 0.830 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)[C@H](C)CCO1 ZINC001580326637 1165571663 /nfs/dbraw/zinc/57/16/63/1165571663.db2.gz KIYZZKOOWCAGQL-GHMZBOCLSA-N -1 1 316.365 0.830 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001580369640 1165588398 /nfs/dbraw/zinc/58/83/98/1165588398.db2.gz FDSFJEUPXGEEJS-KXUCPTDWSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001580369640 1165588404 /nfs/dbraw/zinc/58/84/04/1165588404.db2.gz FDSFJEUPXGEEJS-KXUCPTDWSA-N -1 1 314.353 0.008 20 0 DCADMM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccccn1 ZINC001580440940 1165603254 /nfs/dbraw/zinc/60/32/54/1165603254.db2.gz AQTPSECMOINYQP-ZETCQYMHSA-N -1 1 314.309 0.234 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001580451113 1165605327 /nfs/dbraw/zinc/60/53/27/1165605327.db2.gz LNIOIWOBGSKRSP-AEJSXWLSSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001580451113 1165605332 /nfs/dbraw/zinc/60/53/32/1165605332.db2.gz LNIOIWOBGSKRSP-AEJSXWLSSA-N -1 1 314.353 0.326 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1nccs1 ZINC001580606236 1165654922 /nfs/dbraw/zinc/65/49/22/1165654922.db2.gz SQOQXFYLOVWMHK-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cc1nsc(NC(=O)c2c[nH]c(C)cc2=O)c1-c1nnn[n-]1 ZINC001580768312 1165714985 /nfs/dbraw/zinc/71/49/85/1165714985.db2.gz PPMHRAGGGZVDON-UHFFFAOYSA-N -1 1 317.334 0.881 20 0 DCADMM Cc1nsc(NC(=O)c2c[nH]c(C)cc2=O)c1-c1nn[n-]n1 ZINC001580768312 1165714992 /nfs/dbraw/zinc/71/49/92/1165714992.db2.gz PPMHRAGGGZVDON-UHFFFAOYSA-N -1 1 317.334 0.881 20 0 DCADMM Cc1cncc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001581328205 1165813379 /nfs/dbraw/zinc/81/33/79/1165813379.db2.gz XOQSEPPVBVESRF-UHFFFAOYSA-N -1 1 310.321 0.333 20 0 DCADMM Cc1cncc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001581328205 1165813388 /nfs/dbraw/zinc/81/33/88/1165813388.db2.gz XOQSEPPVBVESRF-UHFFFAOYSA-N -1 1 310.321 0.333 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ncc(F)cc2F)c1-c1nnn[n-]1 ZINC001581594804 1165847406 /nfs/dbraw/zinc/84/74/06/1165847406.db2.gz FOLAVEUYKLGIHK-UHFFFAOYSA-N -1 1 320.263 0.834 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ncc(F)cc2F)c1-c1nn[n-]n1 ZINC001581594804 1165847413 /nfs/dbraw/zinc/84/74/13/1165847413.db2.gz FOLAVEUYKLGIHK-UHFFFAOYSA-N -1 1 320.263 0.834 20 0 DCADMM Cc1nonc1CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581655664 1165856120 /nfs/dbraw/zinc/85/61/20/1165856120.db2.gz HTPYGWMPVHFAJJ-UHFFFAOYSA-N -1 1 321.326 0.014 20 0 DCADMM Cc1nonc1CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581655664 1165856124 /nfs/dbraw/zinc/85/61/24/1165856124.db2.gz HTPYGWMPVHFAJJ-UHFFFAOYSA-N -1 1 321.326 0.014 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ncc2c(n1)COC2 ZINC001581726914 1165860845 /nfs/dbraw/zinc/86/08/45/1165860845.db2.gz AHJICQKKMAVMOK-UHFFFAOYSA-N -1 1 313.277 0.841 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ncc2c(n1)COC2 ZINC001581726914 1165860849 /nfs/dbraw/zinc/86/08/49/1165860849.db2.gz AHJICQKKMAVMOK-UHFFFAOYSA-N -1 1 313.277 0.841 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccccc2CF)c1=O ZINC001581753399 1165868811 /nfs/dbraw/zinc/86/88/11/1165868811.db2.gz BBUDTVYDLGBGDW-UHFFFAOYSA-N -1 1 316.296 0.245 20 0 DCADMM Cn1cc([C@H]2CCCN(c3ncncc3-c3nn[n-]n3)C2)nn1 ZINC001581767224 1165870993 /nfs/dbraw/zinc/87/09/93/1165870993.db2.gz QCMPJUNRMLCZRV-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC001581766574 1165871217 /nfs/dbraw/zinc/87/12/17/1165871217.db2.gz DFISPQUOEKRCBK-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC001581766574 1165871222 /nfs/dbraw/zinc/87/12/22/1165871222.db2.gz DFISPQUOEKRCBK-SECBINFHSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1ncc(Cl)c1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581833798 1165882851 /nfs/dbraw/zinc/88/28/51/1165882851.db2.gz FPJYXDVWDIGPFQ-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM Cn1ncc(Cl)c1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581833798 1165882860 /nfs/dbraw/zinc/88/28/60/1165882860.db2.gz FPJYXDVWDIGPFQ-UHFFFAOYSA-N -1 1 318.728 0.579 20 0 DCADMM Cn1ncc2c1CCCN(C(=O)c1ccc(-c3nnn[n-]3)o1)C2 ZINC001581834091 1165885281 /nfs/dbraw/zinc/88/52/81/1165885281.db2.gz SHBKUWCJHUUZQB-UHFFFAOYSA-N -1 1 313.321 0.782 20 0 DCADMM Cn1ncc2c1CCCN(C(=O)c1ccc(-c3nn[n-]n3)o1)C2 ZINC001581834091 1165885288 /nfs/dbraw/zinc/88/52/88/1165885288.db2.gz SHBKUWCJHUUZQB-UHFFFAOYSA-N -1 1 313.321 0.782 20 0 DCADMM Fc1ccccc1-n1ccc(Cn2cc(-c3nn[n-]n3)nn2)n1 ZINC001581856132 1165889229 /nfs/dbraw/zinc/88/92/29/1165889229.db2.gz UONNUJVNGUJCAR-UHFFFAOYSA-N -1 1 311.284 0.831 20 0 DCADMM Nc1nnc([C@@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)o1 ZINC001581911516 1165911899 /nfs/dbraw/zinc/91/18/99/1165911899.db2.gz WWSGIYFIKZKAMA-MRVPVSSYSA-N -1 1 313.325 0.611 20 0 DCADMM Nc1nnc([C@@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)o1 ZINC001581911516 1165911907 /nfs/dbraw/zinc/91/19/07/1165911907.db2.gz WWSGIYFIKZKAMA-MRVPVSSYSA-N -1 1 313.325 0.611 20 0 DCADMM O=C(CCCF)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001582041276 1165942762 /nfs/dbraw/zinc/94/27/62/1165942762.db2.gz BUKNZNMSNFJYKU-VIFPVBQESA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CCCF)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001582041276 1165942766 /nfs/dbraw/zinc/94/27/66/1165942766.db2.gz BUKNZNMSNFJYKU-VIFPVBQESA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CSc1cccnc1-c1nnn[n-]1)Nc1cccnn1 ZINC001582133405 1165964695 /nfs/dbraw/zinc/96/46/95/1165964695.db2.gz DSNCDPQSWUFZHM-UHFFFAOYSA-N -1 1 314.334 0.783 20 0 DCADMM O=C(CSc1cccnc1-c1nn[n-]n1)Nc1cccnn1 ZINC001582133405 1165964702 /nfs/dbraw/zinc/96/47/02/1165964702.db2.gz DSNCDPQSWUFZHM-UHFFFAOYSA-N -1 1 314.334 0.783 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1ccsc1-c1nnn[n-]1 ZINC001582233605 1165988468 /nfs/dbraw/zinc/98/84/68/1165988468.db2.gz ZCIFPSXNASGQBH-JTQLQIEISA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1ccsc1-c1nn[n-]n1 ZINC001582233605 1165988473 /nfs/dbraw/zinc/98/84/73/1165988473.db2.gz ZCIFPSXNASGQBH-JTQLQIEISA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001582451368 1166020841 /nfs/dbraw/zinc/02/08/41/1166020841.db2.gz VDBROZGWCBYSHY-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001582451368 1166020850 /nfs/dbraw/zinc/02/08/50/1166020850.db2.gz VDBROZGWCBYSHY-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCCNc1cnc(-c2nnn[n-]2)cn1)C1(CCF)CC1 ZINC001582522054 1166030874 /nfs/dbraw/zinc/03/08/74/1166030874.db2.gz MVOOZWBFAWHBTE-UHFFFAOYSA-N -1 1 320.332 0.325 20 0 DCADMM O=C(NCCNc1cnc(-c2nn[n-]n2)cn1)C1(CCF)CC1 ZINC001582522054 1166030880 /nfs/dbraw/zinc/03/08/80/1166030880.db2.gz MVOOZWBFAWHBTE-UHFFFAOYSA-N -1 1 320.332 0.325 20 0 DCADMM O=C(NCC[C@@H]1CCCC[C@@H]1O)c1cccc(-c2nnn[n-]2)n1 ZINC001582525030 1166032222 /nfs/dbraw/zinc/03/22/22/1166032222.db2.gz WZKKSZNOWXQZPR-GWCFXTLKSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NCC[C@@H]1CCCC[C@@H]1O)c1cccc(-c2nn[n-]n2)n1 ZINC001582525030 1166032231 /nfs/dbraw/zinc/03/22/31/1166032231.db2.gz WZKKSZNOWXQZPR-GWCFXTLKSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NCCn1ccnc1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582528387 1166032474 /nfs/dbraw/zinc/03/24/74/1166032474.db2.gz RVFCETNAYJYRBE-UHFFFAOYSA-N -1 1 319.275 0.771 20 0 DCADMM O=C(NCCn1ccnc1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582528387 1166032479 /nfs/dbraw/zinc/03/24/79/1166032479.db2.gz RVFCETNAYJYRBE-UHFFFAOYSA-N -1 1 319.275 0.771 20 0 DCADMM O=C(NC[C@H](O)Cc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001582529981 1166033215 /nfs/dbraw/zinc/03/32/15/1166033215.db2.gz VODYJCKYAITRIB-GFCCVEGCSA-N -1 1 313.317 0.793 20 0 DCADMM O=C(NC[C@H](O)Cc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001582529981 1166033222 /nfs/dbraw/zinc/03/32/22/1166033222.db2.gz VODYJCKYAITRIB-GFCCVEGCSA-N -1 1 313.317 0.793 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1cccnn1 ZINC001582545048 1166037961 /nfs/dbraw/zinc/03/79/61/1166037961.db2.gz YPRSVWXFTLUOAT-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1cccnn1 ZINC001582545048 1166037967 /nfs/dbraw/zinc/03/79/67/1166037967.db2.gz YPRSVWXFTLUOAT-UHFFFAOYSA-N -1 1 317.259 0.865 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H](CO)CCF ZINC001582548518 1166040198 /nfs/dbraw/zinc/04/01/98/1166040198.db2.gz CBCDKPMOCCLLQY-SSDOTTSWSA-N -1 1 314.346 0.448 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001582558567 1166044882 /nfs/dbraw/zinc/04/48/82/1166044882.db2.gz DQHXYLXZMIGGGZ-HYVHXENYSA-N -1 1 318.362 0.363 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001582558567 1166044888 /nfs/dbraw/zinc/04/48/88/1166044888.db2.gz DQHXYLXZMIGGGZ-HYVHXENYSA-N -1 1 318.362 0.363 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H](O)c1cccnc1 ZINC001582557952 1166045011 /nfs/dbraw/zinc/04/50/11/1166045011.db2.gz AWGGCARBLBBPHS-JTQLQIEISA-N -1 1 317.334 0.068 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H](O)c1cccnc1 ZINC001582557952 1166045015 /nfs/dbraw/zinc/04/50/15/1166045015.db2.gz AWGGCARBLBBPHS-JTQLQIEISA-N -1 1 317.334 0.068 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2n(n1)CCCC2=O ZINC001582630356 1166054566 /nfs/dbraw/zinc/05/45/66/1166054566.db2.gz LVQVUFVPIAIMLB-UHFFFAOYSA-N -1 1 313.281 0.015 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2n(n1)CCCC2=O ZINC001582630356 1166054574 /nfs/dbraw/zinc/05/45/74/1166054574.db2.gz LVQVUFVPIAIMLB-UHFFFAOYSA-N -1 1 313.281 0.015 20 0 DCADMM O=C(Nc1ncc2c(c1-c1nn[n-]n1)COCC2)c1cccnc1 ZINC001582653190 1166061648 /nfs/dbraw/zinc/06/16/48/1166061648.db2.gz IKBVMLYPLARLHK-UHFFFAOYSA-N -1 1 323.316 0.982 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cnc2cnccc2c1 ZINC001582649573 1166062118 /nfs/dbraw/zinc/06/21/18/1166062118.db2.gz AGYIZPMJRNBJOL-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](CO)[C@H]1CO ZINC001582701764 1166068895 /nfs/dbraw/zinc/06/88/95/1166068895.db2.gz YLTHKXWFDDVONG-DTWKUNHWSA-N -1 1 323.378 0.134 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](CO)[C@H]1CO ZINC001582701764 1166068899 /nfs/dbraw/zinc/06/88/99/1166068899.db2.gz YLTHKXWFDDVONG-DTWKUNHWSA-N -1 1 323.378 0.134 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC2(C1)OCCO2 ZINC001582744741 1166074414 /nfs/dbraw/zinc/07/44/14/1166074414.db2.gz GBLVXQYTBKRIFF-UHFFFAOYSA-N -1 1 307.335 0.517 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@]12CCOC2=O ZINC001582745298 1166074622 /nfs/dbraw/zinc/07/46/22/1166074622.db2.gz YHHGXKSIXOVIFE-CYBMUJFWSA-N -1 1 319.346 0.850 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCO[C@]2(CCOC2)C1 ZINC001582744670 1166074729 /nfs/dbraw/zinc/07/47/29/1166074729.db2.gz BZBYNVUPVOMDRR-CYBMUJFWSA-N -1 1 321.362 0.560 20 0 DCADMM O=S(=O)(N[C@@H]1CCC[C@H]1O)c1ccsc1-c1nn[n-]n1 ZINC001582797965 1166077335 /nfs/dbraw/zinc/07/73/35/1166077335.db2.gz PVWNRWCTQGQFMD-RNFRBKRXSA-N -1 1 315.380 0.120 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CCOc1ccccc1F ZINC001582806221 1166085898 /nfs/dbraw/zinc/08/58/98/1166085898.db2.gz HWWPRSUBJQEARQ-UHFFFAOYSA-N -1 1 318.268 0.347 20 0 DCADMM O[C@H](CNc1ncncc1-c1nn[n-]n1)Cc1ccccc1F ZINC001582809414 1166087775 /nfs/dbraw/zinc/08/77/75/1166087775.db2.gz JYCIWJCXGSKFIH-JTQLQIEISA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC001582809131 1166088755 /nfs/dbraw/zinc/08/87/55/1166088755.db2.gz HRZBCJFAAPZBEZ-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC001582809131 1166088763 /nfs/dbraw/zinc/08/87/63/1166088763.db2.gz HRZBCJFAAPZBEZ-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM COCCCNC(=O)CN(C)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001583555725 1166268955 /nfs/dbraw/zinc/26/89/55/1166268955.db2.gz JAPQMPQKQPZTAG-UHFFFAOYSA-N -1 1 322.361 0.738 20 0 DCADMM C[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001586804392 1166499550 /nfs/dbraw/zinc/49/95/50/1166499550.db2.gz FCXCNGABQZDALH-RKDXNWHRSA-N -1 1 311.342 0.077 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cn4ccccc4n3)nc2n1 ZINC001587187964 1166505673 /nfs/dbraw/zinc/50/56/73/1166505673.db2.gz MURMKUKCCAVMEF-UHFFFAOYSA-N -1 1 323.316 0.880 20 0 DCADMM COC(=O)c1nc[nH]c1NC(=O)c1cn2nccc2nc1C ZINC001587265541 1166505994 /nfs/dbraw/zinc/50/59/94/1166505994.db2.gz OMYZOEACOHCAED-UHFFFAOYSA-N -1 1 300.278 0.800 20 0 DCADMM CCC[C@H](NC(=O)c1ccc(C(N)=O)c(Cl)n1)c1nn[n-]n1 ZINC001587596717 1166508548 /nfs/dbraw/zinc/50/85/48/1166508548.db2.gz ACLOHHBKMYPTIJ-ZETCQYMHSA-N -1 1 323.744 0.618 20 0 DCADMM CNC(=O)CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001588196130 1166518077 /nfs/dbraw/zinc/51/80/77/1166518077.db2.gz YTFIODSSTOBNBD-UHFFFAOYSA-N -1 1 302.286 0.941 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001588811554 1166595160 /nfs/dbraw/zinc/59/51/60/1166595160.db2.gz CAZKBCQQMBNLPB-PSASIEDQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588811554 1166595170 /nfs/dbraw/zinc/59/51/70/1166595170.db2.gz CAZKBCQQMBNLPB-PSASIEDQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CCC[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588815978 1166596709 /nfs/dbraw/zinc/59/67/09/1166596709.db2.gz OKYPVKCDFAHHMQ-KOLCDFICSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588815978 1166596713 /nfs/dbraw/zinc/59/67/13/1166596713.db2.gz OKYPVKCDFAHHMQ-KOLCDFICSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588818792 1166597054 /nfs/dbraw/zinc/59/70/54/1166597054.db2.gz OVDNVWZSJWKQTP-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588818792 1166597064 /nfs/dbraw/zinc/59/70/64/1166597064.db2.gz OVDNVWZSJWKQTP-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC[C@@H]1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588822014 1166599749 /nfs/dbraw/zinc/59/97/49/1166599749.db2.gz RRTRHNDHXNTDGE-MRVPVSSYSA-N -1 1 321.366 0.581 20 0 DCADMM CC(=O)N1CCC[C@@H]1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588822014 1166599754 /nfs/dbraw/zinc/59/97/54/1166599754.db2.gz RRTRHNDHXNTDGE-MRVPVSSYSA-N -1 1 321.366 0.581 20 0 DCADMM CC(=O)N1C[C@@H]2C[C@H]1CN2c1snc(C)c1-c1nn[n-]n1 ZINC001588828164 1166601393 /nfs/dbraw/zinc/60/13/93/1166601393.db2.gz SYJQBXRDMBSRFZ-IUCAKERBSA-N -1 1 305.367 0.441 20 0 DCADMM CC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588840145 1166605443 /nfs/dbraw/zinc/60/54/43/1166605443.db2.gz MUYYHORVNCFBTM-UWVGGRQHSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588840145 1166605449 /nfs/dbraw/zinc/60/54/49/1166605449.db2.gz MUYYHORVNCFBTM-UWVGGRQHSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)NC[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001588855291 1166607839 /nfs/dbraw/zinc/60/78/39/1166607839.db2.gz RGKKXRQYBPOKMZ-LLVKDONJSA-N -1 1 301.354 0.614 20 0 DCADMM CC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001588855291 1166607846 /nfs/dbraw/zinc/60/78/46/1166607846.db2.gz RGKKXRQYBPOKMZ-LLVKDONJSA-N -1 1 301.354 0.614 20 0 DCADMM C[C@H](C(=O)N(C)CCOC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588941994 1166619808 /nfs/dbraw/zinc/61/98/08/1166619808.db2.gz SPALTBCXXQCPGQ-SECBINFHSA-N -1 1 322.373 0.293 20 0 DCADMM C[C@@H](C(=O)N1CC[C@@H]1C1CCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951642 1166621377 /nfs/dbraw/zinc/62/13/77/1166621377.db2.gz IIEIIBXOQBIQEA-GXSJLCMTSA-N -1 1 316.369 0.810 20 0 DCADMM C[C@H](C(=O)N(C)Cc1ccc[nH]1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943512 1166622354 /nfs/dbraw/zinc/62/23/54/1166622354.db2.gz QTBHTKNKCNRDQF-MRVPVSSYSA-N -1 1 301.314 0.006 20 0 DCADMM C[C@H](C(=O)NC1(C2CCC2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970334 1166623645 /nfs/dbraw/zinc/62/36/45/1166623645.db2.gz FAUPXHBVNVJSGI-MRVPVSSYSA-N -1 1 302.342 0.468 20 0 DCADMM C[C@H](C(=O)N[C@@H]1CCC(C)(C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588972411 1166625037 /nfs/dbraw/zinc/62/50/37/1166625037.db2.gz KAOCOTTVWXCGJB-RKDXNWHRSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@@H](C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588989872 1166625736 /nfs/dbraw/zinc/62/57/36/1166625736.db2.gz CCVLWSFISHGPQU-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588989872 1166625745 /nfs/dbraw/zinc/62/57/45/1166625745.db2.gz CCVLWSFISHGPQU-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](C(=O)NCCCCC1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588990727 1166626242 /nfs/dbraw/zinc/62/62/42/1166626242.db2.gz WUHCDPZLSQDFTA-VIFPVBQESA-N -1 1 304.358 0.716 20 0 DCADMM C[C@@H](C(=O)NCCCNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588991329 1166627330 /nfs/dbraw/zinc/62/73/30/1166627330.db2.gz GIKNMILGMWADMK-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](C(=O)NCCCNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588991329 1166627335 /nfs/dbraw/zinc/62/73/35/1166627335.db2.gz GIKNMILGMWADMK-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](C(=O)NCc1ccc(Cl)o1)n1cnc(-c2nn[n-]n2)n1 ZINC001588997619 1166627371 /nfs/dbraw/zinc/62/73/71/1166627371.db2.gz IXIPMJBBWGHHFU-ZCFIWIBFSA-N -1 1 322.716 0.582 20 0 DCADMM C[C@@H](C(=O)OCCC[C@H]1CCOC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028658 1166630652 /nfs/dbraw/zinc/63/06/52/1166630652.db2.gz XSLSCEXURJQDHH-UWVGGRQHSA-N -1 1 321.341 0.379 20 0 DCADMM C[C@@H](C(=O)OCc1cccs1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029487 1166630752 /nfs/dbraw/zinc/63/07/52/1166630752.db2.gz BTQNLWPWOYLKGB-ZETCQYMHSA-N -1 1 305.323 0.824 20 0 DCADMM C[C@H](C(=O)OC[C@H]1CCCCS1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028880 1166631594 /nfs/dbraw/zinc/63/15/94/1166631594.db2.gz ZHHOKBOZIMRBFL-RKDXNWHRSA-N -1 1 323.382 0.848 20 0 DCADMM CC(C)(C)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001589084870 1166633138 /nfs/dbraw/zinc/63/31/38/1166633138.db2.gz OHTHQZNJEXECCB-PLNGDYQASA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001589084870 1166633142 /nfs/dbraw/zinc/63/31/42/1166633142.db2.gz OHTHQZNJEXECCB-PLNGDYQASA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)CC(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001589116000 1166635766 /nfs/dbraw/zinc/63/57/66/1166635766.db2.gz HMHUVUVLEKLSNV-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CC(C)(C)CC(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001589116000 1166635767 /nfs/dbraw/zinc/63/57/67/1166635767.db2.gz HMHUVUVLEKLSNV-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CC(C)(C)OC(=O)NCCCNc1ncncc1-c1nn[n-]n1 ZINC001589183210 1166639242 /nfs/dbraw/zinc/63/92/42/1166639242.db2.gz KXQTZXOCOAAFEH-UHFFFAOYSA-N -1 1 320.357 0.983 20 0 DCADMM CC(C)(C)OC(=O)N1CC(Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589157728 1166639891 /nfs/dbraw/zinc/63/98/91/1166639891.db2.gz HVRHPZGOBZGCLO-UHFFFAOYSA-N -1 1 318.341 0.688 20 0 DCADMM CC(C)(C)OC(=O)N1CC(Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589157728 1166639894 /nfs/dbraw/zinc/63/98/94/1166639894.db2.gz HVRHPZGOBZGCLO-UHFFFAOYSA-N -1 1 318.341 0.688 20 0 DCADMM CC(C)=CC(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001589361573 1166652444 /nfs/dbraw/zinc/65/24/44/1166652444.db2.gz NVZFYWWMFVEFAY-SNVBAGLBSA-N -1 1 316.369 0.209 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001589395030 1166653765 /nfs/dbraw/zinc/65/37/65/1166653765.db2.gz IYJCJLGGOGSDCX-SECBINFHSA-N -1 1 302.342 0.326 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001589395030 1166653775 /nfs/dbraw/zinc/65/37/75/1166653775.db2.gz IYJCJLGGOGSDCX-SECBINFHSA-N -1 1 302.342 0.326 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589404160 1166657235 /nfs/dbraw/zinc/65/72/35/1166657235.db2.gz LGBTWJTUWBEODH-SECBINFHSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC001589480665 1166661019 /nfs/dbraw/zinc/66/10/19/1166661019.db2.gz SDHDSHQRHCWHGC-NSHDSACASA-N -1 1 318.337 0.531 20 0 DCADMM CC(C)[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC001589480665 1166661022 /nfs/dbraw/zinc/66/10/22/1166661022.db2.gz SDHDSHQRHCWHGC-NSHDSACASA-N -1 1 318.337 0.531 20 0 DCADMM CC(C)[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1nncn1C ZINC001589475511 1166661342 /nfs/dbraw/zinc/66/13/42/1166661342.db2.gz NYKMGKMXOLZAMA-SNVBAGLBSA-N -1 1 319.398 0.939 20 0 DCADMM CC(C)[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1nncn1C ZINC001589475511 1166661347 /nfs/dbraw/zinc/66/13/47/1166661347.db2.gz NYKMGKMXOLZAMA-SNVBAGLBSA-N -1 1 319.398 0.939 20 0 DCADMM CC(C)[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)N(C)C ZINC001589479557 1166661766 /nfs/dbraw/zinc/66/17/66/1166661766.db2.gz DLILXPLTSZJCNR-LLVKDONJSA-N -1 1 318.337 0.531 20 0 DCADMM CC(C)[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)N(C)C ZINC001589479557 1166661770 /nfs/dbraw/zinc/66/17/70/1166661770.db2.gz DLILXPLTSZJCNR-LLVKDONJSA-N -1 1 318.337 0.531 20 0 DCADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589492012 1166663667 /nfs/dbraw/zinc/66/36/67/1166663667.db2.gz ZQJWRSMDLTYFSU-TVQRCGJNSA-N -1 1 319.373 0.192 20 0 DCADMM CC(C)C[C@H](CO)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589562230 1166666938 /nfs/dbraw/zinc/66/69/38/1166666938.db2.gz FYNXIYSOIWVFNW-SECBINFHSA-N -1 1 322.373 0.471 20 0 DCADMM CC(C)C[C@H](CO)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589562230 1166666942 /nfs/dbraw/zinc/66/69/42/1166666942.db2.gz FYNXIYSOIWVFNW-SECBINFHSA-N -1 1 322.373 0.471 20 0 DCADMM CC(C)N1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1=O ZINC001589714237 1166677653 /nfs/dbraw/zinc/67/76/53/1166677653.db2.gz KBFYGZRIHWJOCQ-UHFFFAOYSA-N -1 1 307.383 0.376 20 0 DCADMM CC(C)N1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1=O ZINC001589714237 1166677657 /nfs/dbraw/zinc/67/76/57/1166677657.db2.gz KBFYGZRIHWJOCQ-UHFFFAOYSA-N -1 1 307.383 0.376 20 0 DCADMM CC(C)OC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001589746194 1166681152 /nfs/dbraw/zinc/68/11/52/1166681152.db2.gz MHTXIDBPOTXKLU-SNVBAGLBSA-N -1 1 305.342 0.287 20 0 DCADMM CC(C)OC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001589746194 1166681154 /nfs/dbraw/zinc/68/11/54/1166681154.db2.gz MHTXIDBPOTXKLU-SNVBAGLBSA-N -1 1 305.342 0.287 20 0 DCADMM C[C@@H](CC(=O)NCCNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001589791678 1166688565 /nfs/dbraw/zinc/68/85/65/1166688565.db2.gz CKXREIXEKVBASN-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CC(=O)NCCNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001589791678 1166688573 /nfs/dbraw/zinc/68/85/73/1166688573.db2.gz CKXREIXEKVBASN-VIFPVBQESA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[S@](C)=O ZINC001589824033 1166692928 /nfs/dbraw/zinc/69/29/28/1166692928.db2.gz OBCHNFLSHQVAFI-AUADJRAKSA-N -1 1 322.394 0.078 20 0 DCADMM C[C@@H](CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[S@](C)=O ZINC001589824033 1166692933 /nfs/dbraw/zinc/69/29/33/1166692933.db2.gz OBCHNFLSHQVAFI-AUADJRAKSA-N -1 1 322.394 0.078 20 0 DCADMM C[C@@H](CCNC(=O)c1csc(-c2nn[n-]n2)c1)[S@@](C)=O ZINC001589826195 1166694976 /nfs/dbraw/zinc/69/49/76/1166694976.db2.gz KGTAFTDOERSQIC-SVWIBVJCSA-N -1 1 313.408 0.815 20 0 DCADMM C[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589858834 1166700786 /nfs/dbraw/zinc/70/07/86/1166700786.db2.gz UMDHORPZRIDPIJ-SNVBAGLBSA-N -1 1 312.337 0.378 20 0 DCADMM C[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)CC(F)F ZINC001589875508 1166702135 /nfs/dbraw/zinc/70/21/35/1166702135.db2.gz GSICJYPBKFHVFB-YFKPBYRVSA-N -1 1 315.284 0.369 20 0 DCADMM C[C@@H](F)CCNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001589912768 1166719696 /nfs/dbraw/zinc/71/96/96/1166719696.db2.gz ZKYZNTRHCNJJSG-SSDOTTSWSA-N -1 1 300.319 0.288 20 0 DCADMM C[C@@](O)(Cc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589993304 1166739844 /nfs/dbraw/zinc/73/98/44/1166739844.db2.gz SAAYYOYGSQTORD-CQSZACIVSA-N -1 1 313.321 0.279 20 0 DCADMM C[C@H](O)CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590001549 1166747938 /nfs/dbraw/zinc/74/79/38/1166747938.db2.gz QHVPLIKGHBLQEY-VKHMYHEASA-N -1 1 303.735 0.479 20 0 DCADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ncnn1C ZINC001590010275 1166752630 /nfs/dbraw/zinc/75/26/30/1166752630.db2.gz OLJAGVHIWCNJCS-SSDOTTSWSA-N -1 1 300.282 0.308 20 0 DCADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ncnn1C ZINC001590010275 1166752633 /nfs/dbraw/zinc/75/26/33/1166752633.db2.gz OLJAGVHIWCNJCS-SSDOTTSWSA-N -1 1 300.282 0.308 20 0 DCADMM C[C@@H](c1nc(Cc2ccccn2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590053225 1166761829 /nfs/dbraw/zinc/76/18/29/1166761829.db2.gz HHKBOXMYITVYNY-QMMMGPOBSA-N -1 1 324.308 0.436 20 0 DCADMM CC1(C)CC(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590078528 1166768467 /nfs/dbraw/zinc/76/84/67/1166768467.db2.gz MRIYQJQGXJYNPI-UHFFFAOYSA-N -1 1 316.369 0.621 20 0 DCADMM CC1(C)CC(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590078528 1166768474 /nfs/dbraw/zinc/76/84/74/1166768474.db2.gz MRIYQJQGXJYNPI-UHFFFAOYSA-N -1 1 316.369 0.621 20 0 DCADMM CC1(C)CC(=O)NCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590080493 1166768932 /nfs/dbraw/zinc/76/89/32/1166768932.db2.gz MHGABQSWELYNBY-UHFFFAOYSA-N -1 1 315.337 0.002 20 0 DCADMM CC1(C)CC(=O)NCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590080493 1166768940 /nfs/dbraw/zinc/76/89/40/1166768940.db2.gz MHGABQSWELYNBY-UHFFFAOYSA-N -1 1 315.337 0.002 20 0 DCADMM CC1(C)CNC(=O)[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590108952 1166776936 /nfs/dbraw/zinc/77/69/36/1166776936.db2.gz CDUMRZORJPJMTI-MRVPVSSYSA-N -1 1 306.351 0.183 20 0 DCADMM CC1(C)OC[C@H](CCOC(=O)c2ccnc(-c3nnn[n-]3)c2)O1 ZINC001590115693 1166780270 /nfs/dbraw/zinc/78/02/70/1166780270.db2.gz VRNDGIPWJUWUBR-JTQLQIEISA-N -1 1 319.321 0.960 20 0 DCADMM CC1(C)OC[C@H](CCOC(=O)c2ccnc(-c3nn[n-]n3)c2)O1 ZINC001590115693 1166780275 /nfs/dbraw/zinc/78/02/75/1166780275.db2.gz VRNDGIPWJUWUBR-JTQLQIEISA-N -1 1 319.321 0.960 20 0 DCADMM CC1(CCCCn2cnc(-c3nn[n-]n3)cc2=O)OCCO1 ZINC001590125478 1166780881 /nfs/dbraw/zinc/78/08/81/1166780881.db2.gz PTYIEYWPARCREI-UHFFFAOYSA-N -1 1 306.326 0.357 20 0 DCADMM CC1(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)COC1 ZINC001590133589 1166783835 /nfs/dbraw/zinc/78/38/35/1166783835.db2.gz FLAIBVMZPPRJQZ-UHFFFAOYSA-N -1 1 315.380 0.243 20 0 DCADMM C[C@@]1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCC(=O)N1 ZINC001590131779 1166784843 /nfs/dbraw/zinc/78/48/43/1166784843.db2.gz FIMRGISILNGLIN-LBPRGKRZSA-N -1 1 306.351 0.327 20 0 DCADMM C[C@@]1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCC(=O)N1 ZINC001590131779 1166784847 /nfs/dbraw/zinc/78/48/47/1166784847.db2.gz FIMRGISILNGLIN-LBPRGKRZSA-N -1 1 306.351 0.327 20 0 DCADMM C[C@@]1(OC(=O)c2ccc(-c3nn[n-]n3)o2)CCS(=O)(=O)C1 ZINC001590149851 1166791194 /nfs/dbraw/zinc/79/11/94/1166791194.db2.gz FNBFZFKLFMMWRK-LLVKDONJSA-N -1 1 312.307 0.194 20 0 DCADMM C[C@@H]1C[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)[C@@H](C)O1 ZINC001590183901 1166803670 /nfs/dbraw/zinc/80/36/70/1166803670.db2.gz VGUIPOYFPCKRNL-BWZBUEFSSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@@H]1C[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)[C@@H](C)O1 ZINC001590183901 1166803673 /nfs/dbraw/zinc/80/36/73/1166803673.db2.gz VGUIPOYFPCKRNL-BWZBUEFSSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@H]1C[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001590193649 1166805606 /nfs/dbraw/zinc/80/56/06/1166805606.db2.gz MTORMZZJPWECRV-VHSXEESVSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1C[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001590193649 1166805611 /nfs/dbraw/zinc/80/56/11/1166805611.db2.gz MTORMZZJPWECRV-VHSXEESVSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001590216619 1166814450 /nfs/dbraw/zinc/81/44/50/1166814450.db2.gz VJXWKJDRJVNEBR-IUCAKERBSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001590216619 1166814453 /nfs/dbraw/zinc/81/44/53/1166814453.db2.gz VJXWKJDRJVNEBR-IUCAKERBSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@H]1CC2(CC(NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)CO1 ZINC001590221782 1166819303 /nfs/dbraw/zinc/81/93/03/1166819303.db2.gz HMXXRDOVZMMSCZ-IEBVAXJPSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@H]1CC2(CC(NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)CO1 ZINC001590221782 1166819316 /nfs/dbraw/zinc/81/93/16/1166819316.db2.gz HMXXRDOVZMMSCZ-IEBVAXJPSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)CS1(=O)=O ZINC001590239076 1166823462 /nfs/dbraw/zinc/82/34/62/1166823462.db2.gz LMIUVXBHJCNYLN-PSASIEDQSA-N -1 1 308.367 0.061 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)CS1(=O)=O ZINC001590239076 1166823466 /nfs/dbraw/zinc/82/34/66/1166823466.db2.gz LMIUVXBHJCNYLN-PSASIEDQSA-N -1 1 308.367 0.061 20 0 DCADMM C[C@H]1CC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)CS1(=O)=O ZINC001590239079 1166825393 /nfs/dbraw/zinc/82/53/93/1166825393.db2.gz LMIUVXBHJCNYLN-WPRPVWTQSA-N -1 1 308.367 0.061 20 0 DCADMM C[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)CS1(=O)=O ZINC001590239079 1166825401 /nfs/dbraw/zinc/82/54/01/1166825401.db2.gz LMIUVXBHJCNYLN-WPRPVWTQSA-N -1 1 308.367 0.061 20 0 DCADMM C[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1n1ccnc1 ZINC001590274290 1166835793 /nfs/dbraw/zinc/83/57/93/1166835793.db2.gz IRYHPKVMOJBQGO-ZYHUDNBSSA-N -1 1 311.353 0.941 20 0 DCADMM C[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1n1ccnc1 ZINC001590274290 1166835797 /nfs/dbraw/zinc/83/57/97/1166835797.db2.gz IRYHPKVMOJBQGO-ZYHUDNBSSA-N -1 1 311.353 0.941 20 0 DCADMM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590305871 1166851644 /nfs/dbraw/zinc/85/16/44/1166851644.db2.gz YXTOLCCZQTWJTJ-ZJUUUORDSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590305871 1166851650 /nfs/dbraw/zinc/85/16/50/1166851650.db2.gz YXTOLCCZQTWJTJ-ZJUUUORDSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC(=O)N1C ZINC001590311625 1166856514 /nfs/dbraw/zinc/85/65/14/1166856514.db2.gz CXYYFMJEIDKVCF-VIFPVBQESA-N -1 1 324.348 0.477 20 0 DCADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC(=O)N1C ZINC001590311625 1166856517 /nfs/dbraw/zinc/85/65/17/1166856517.db2.gz CXYYFMJEIDKVCF-VIFPVBQESA-N -1 1 324.348 0.477 20 0 DCADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H](CO)O1 ZINC001590313600 1166857052 /nfs/dbraw/zinc/85/70/52/1166857052.db2.gz WIVLKNSUSUEINQ-JGVFFNPUSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H](CO)O1 ZINC001590313600 1166857057 /nfs/dbraw/zinc/85/70/57/1166857057.db2.gz WIVLKNSUSUEINQ-JGVFFNPUSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@@H](C)[C@@H](C)O1 ZINC001590311571 1166857734 /nfs/dbraw/zinc/85/77/34/1166857734.db2.gz XVQVOSUEBZLDIL-OUAUKWLOSA-N -1 1 304.354 0.484 20 0 DCADMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC2(CCOCC2)O1 ZINC001590314260 1166859762 /nfs/dbraw/zinc/85/97/62/1166859762.db2.gz AYDXOSWQWLZQSC-JTQLQIEISA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC2(CCOCC2)O1 ZINC001590314260 1166859767 /nfs/dbraw/zinc/85/97/67/1166859767.db2.gz AYDXOSWQWLZQSC-JTQLQIEISA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1COCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590321816 1166861924 /nfs/dbraw/zinc/86/19/24/1166861924.db2.gz CNURZWOEKZINMI-IUCAKERBSA-N -1 1 303.326 0.808 20 0 DCADMM C[C@H]1COCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590321816 1166861928 /nfs/dbraw/zinc/86/19/28/1166861928.db2.gz CNURZWOEKZINMI-IUCAKERBSA-N -1 1 303.326 0.808 20 0 DCADMM C[C@@H]1OCC[C@@]1(C)NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590334116 1166871787 /nfs/dbraw/zinc/87/17/87/1166871787.db2.gz ORHKUDWHSTUTNN-QPUJVOFHSA-N -1 1 324.366 0.108 20 0 DCADMM C[C@H]1c2nncn2CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590336976 1166874245 /nfs/dbraw/zinc/87/42/45/1166874245.db2.gz GKSUHDWAJUXUAR-ZETCQYMHSA-N -1 1 300.282 0.268 20 0 DCADMM C[C@H]1c2nncn2CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590336976 1166874255 /nfs/dbraw/zinc/87/42/55/1166874255.db2.gz GKSUHDWAJUXUAR-ZETCQYMHSA-N -1 1 300.282 0.268 20 0 DCADMM C/C=C(/C)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590344019 1166876710 /nfs/dbraw/zinc/87/67/10/1166876710.db2.gz AZPYMAGBSIIOHE-IMXHIACISA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(/C)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590344019 1166876718 /nfs/dbraw/zinc/87/67/18/1166876718.db2.gz AZPYMAGBSIIOHE-IMXHIACISA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(\C)C(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590346601 1166880212 /nfs/dbraw/zinc/88/02/12/1166880212.db2.gz BCQKOSAKJSJMLQ-AIYFBYTFSA-N -1 1 316.369 0.350 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001590361092 1166885292 /nfs/dbraw/zinc/88/52/92/1166885292.db2.gz SIZNZPAYHUXLFT-UWVGGRQHSA-N -1 1 316.369 0.280 20 0 DCADMM CC[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)C(=O)OC ZINC001590368528 1166888983 /nfs/dbraw/zinc/88/89/83/1166888983.db2.gz DSIMLNZGPCCHSH-ZCFIWIBFSA-N -1 1 310.339 0.139 20 0 DCADMM CC[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)C(=O)OC ZINC001590368528 1166888990 /nfs/dbraw/zinc/88/89/90/1166888990.db2.gz DSIMLNZGPCCHSH-ZCFIWIBFSA-N -1 1 310.339 0.139 20 0 DCADMM CCC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590364365 1166890352 /nfs/dbraw/zinc/89/03/52/1166890352.db2.gz ZONNZBKAIJLUOS-UHFFFAOYSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590364365 1166890357 /nfs/dbraw/zinc/89/03/57/1166890357.db2.gz ZONNZBKAIJLUOS-UHFFFAOYSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NCCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001590366395 1166890469 /nfs/dbraw/zinc/89/04/69/1166890469.db2.gz QFZSAZABDKGXEG-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)NCCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001590366395 1166890472 /nfs/dbraw/zinc/89/04/72/1166890472.db2.gz QFZSAZABDKGXEG-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(C)(C)NC(=O)COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590376741 1166891253 /nfs/dbraw/zinc/89/12/53/1166891253.db2.gz LWCNPUAODJEAHU-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CCC(C)(C)NC(=O)COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590376741 1166891261 /nfs/dbraw/zinc/89/12/61/1166891261.db2.gz LWCNPUAODJEAHU-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CC[C@@](C)(O)c1cn(Cc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001590385245 1166894183 /nfs/dbraw/zinc/89/41/83/1166894183.db2.gz TYWJVGZMXSLOEX-LLVKDONJSA-N -1 1 306.355 0.581 20 0 DCADMM CC[C@@](C)(O)c1cn(Cc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001590385245 1166894189 /nfs/dbraw/zinc/89/41/89/1166894189.db2.gz TYWJVGZMXSLOEX-LLVKDONJSA-N -1 1 306.355 0.581 20 0 DCADMM CC[C@@](C)(NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(=O)OC ZINC001590381006 1166895256 /nfs/dbraw/zinc/89/52/56/1166895256.db2.gz AZTKIFXGCGMRCQ-CYBMUJFWSA-N -1 1 304.310 0.333 20 0 DCADMM CC[C@@](C)(NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(=O)OC ZINC001590381006 1166895265 /nfs/dbraw/zinc/89/52/65/1166895265.db2.gz AZTKIFXGCGMRCQ-CYBMUJFWSA-N -1 1 304.310 0.333 20 0 DCADMM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC ZINC001590442793 1166905130 /nfs/dbraw/zinc/90/51/30/1166905130.db2.gz LXHMLJAEISKSBT-SSDOTTSWSA-N -1 1 309.351 0.857 20 0 DCADMM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC001590442793 1166905136 /nfs/dbraw/zinc/90/51/36/1166905136.db2.gz LXHMLJAEISKSBT-SSDOTTSWSA-N -1 1 309.351 0.857 20 0 DCADMM CC[C@H](CNS(=O)(=O)c1ccsc1-c1nn[n-]n1)OC ZINC001590446977 1166908400 /nfs/dbraw/zinc/90/84/00/1166908400.db2.gz QZXYMWLDYOETPH-SSDOTTSWSA-N -1 1 317.396 0.632 20 0 DCADMM CC[C@H](COC)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590447997 1166908572 /nfs/dbraw/zinc/90/85/72/1166908572.db2.gz HKVHRETWMOAJAT-SSDOTTSWSA-N -1 1 317.396 0.632 20 0 DCADMM CC[C@@H](F)C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001590453561 1166909900 /nfs/dbraw/zinc/90/99/00/1166909900.db2.gz MEEGTZFMTGUCKK-ZBJFTSOASA-N -1 1 320.332 0.489 20 0 DCADMM CC[C@@H](F)C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001590453561 1166909905 /nfs/dbraw/zinc/90/99/05/1166909905.db2.gz 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/nfs/dbraw/zinc/05/80/90/1167058090.db2.gz GMGWVVQRRUBBNT-UHFFFAOYSA-N -1 1 313.325 0.936 20 0 DCADMM CCn1cnnc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590962991 1167059359 /nfs/dbraw/zinc/05/93/59/1167059359.db2.gz FVNPSBPVQAZSDG-UHFFFAOYSA-N -1 1 304.339 0.470 20 0 DCADMM CCn1cnnc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590962991 1167059361 /nfs/dbraw/zinc/05/93/61/1167059361.db2.gz FVNPSBPVQAZSDG-UHFFFAOYSA-N -1 1 304.339 0.470 20 0 DCADMM CN(C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccccc1 ZINC001590986256 1167065660 /nfs/dbraw/zinc/06/56/60/1167065660.db2.gz FDIRNNWJXXUXBU-UHFFFAOYSA-N -1 1 310.317 0.691 20 0 DCADMM CN(C(=O)CCOCC(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001590980162 1167066580 /nfs/dbraw/zinc/06/65/80/1167066580.db2.gz ZLQXHQFLCHSKLK-UHFFFAOYSA-N -1 1 312.280 0.896 20 0 DCADMM CN(C(=O)CCOCC(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001590980162 1167066585 /nfs/dbraw/zinc/06/65/85/1167066585.db2.gz ZLQXHQFLCHSKLK-UHFFFAOYSA-N -1 1 312.280 0.896 20 0 DCADMM CN(C(=O)c1cccc(F)c1-c1nnn[n-]1)[C@H]1C[C@@H](C(N)=O)C1 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20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC001591107131 1167105704 /nfs/dbraw/zinc/10/57/04/1167105704.db2.gz SVOUPJHMVQFYMF-UHFFFAOYSA-N -1 1 320.357 0.936 20 0 DCADMM CN1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCC1=O ZINC001591171754 1167127069 /nfs/dbraw/zinc/12/70/69/1167127069.db2.gz NHLUUOUHQLITQP-VIFPVBQESA-N -1 1 314.353 0.567 20 0 DCADMM CN1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCC1=O ZINC001591171754 1167127082 /nfs/dbraw/zinc/12/70/82/1167127082.db2.gz NHLUUOUHQLITQP-VIFPVBQESA-N -1 1 314.353 0.567 20 0 DCADMM CN1CCC[C@H](OC(=O)c2csc(-c3nnn[n-]3)c2)C1=O ZINC001591184701 1167135513 /nfs/dbraw/zinc/13/55/13/1167135513.db2.gz PHGQIMRWYLGSSC-QMMMGPOBSA-N -1 1 307.335 0.706 20 0 DCADMM CN1CCC[C@H](OC(=O)c2csc(-c3nn[n-]n3)c2)C1=O ZINC001591184701 1167135516 /nfs/dbraw/zinc/13/55/16/1167135516.db2.gz PHGQIMRWYLGSSC-QMMMGPOBSA-N -1 1 307.335 0.706 20 0 DCADMM CN1CCN(Cc2csc(-c3nn[n-]n3)c2)C(C)(C)C1=O ZINC001591194378 1167146303 /nfs/dbraw/zinc/14/63/03/1167146303.db2.gz YZYREVKHLDNTAM-UHFFFAOYSA-N -1 1 306.395 0.981 20 0 DCADMM CNC(=O)C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001591203371 1167151532 /nfs/dbraw/zinc/15/15/32/1167151532.db2.gz AKGDYLIGVKUDEB-GFCCVEGCSA-N -1 1 324.348 0.946 20 0 DCADMM CNC(=O)C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001591203371 1167151536 /nfs/dbraw/zinc/15/15/36/1167151536.db2.gz AKGDYLIGVKUDEB-GFCCVEGCSA-N -1 1 324.348 0.946 20 0 DCADMM CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591204393 1167152562 /nfs/dbraw/zinc/15/25/62/1167152562.db2.gz WXLYSNSOKHDZJM-LLVKDONJSA-N -1 1 315.337 0.002 20 0 DCADMM CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591204393 1167152568 /nfs/dbraw/zinc/15/25/68/1167152568.db2.gz WXLYSNSOKHDZJM-LLVKDONJSA-N -1 1 315.337 0.002 20 0 DCADMM COC(=O)[C@H](CC1CC1)NCc1cccc(-c2nnn[n-]2)n1 ZINC001591231368 1167169017 /nfs/dbraw/zinc/16/90/17/1167169017.db2.gz JUUYZAQPWXVICQ-LBPRGKRZSA-N -1 1 302.338 0.693 20 0 DCADMM COC(=O)[C@H](CC1CC1)NCc1cccc(-c2nn[n-]n2)n1 ZINC001591231368 1167169021 /nfs/dbraw/zinc/16/90/21/1167169021.db2.gz JUUYZAQPWXVICQ-LBPRGKRZSA-N -1 1 302.338 0.693 20 0 DCADMM COC(=O)C12CCC(CC1)N2C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591247422 1167175279 /nfs/dbraw/zinc/17/52/79/1167175279.db2.gz RBRXYLFNVSEROG-UHFFFAOYSA-N -1 1 317.305 0.770 20 0 DCADMM COC(=O)C12CCC(CC1)N2C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591247422 1167175283 /nfs/dbraw/zinc/17/52/83/1167175283.db2.gz RBRXYLFNVSEROG-UHFFFAOYSA-N -1 1 317.305 0.770 20 0 DCADMM COC(=O)C[C@@H](C)CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591258393 1167181585 /nfs/dbraw/zinc/18/15/85/1167181585.db2.gz ITSZJEJYKCQQKN-ZETCQYMHSA-N -1 1 324.366 0.529 20 0 DCADMM COC(=O)C[C@@H](C)CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591258393 1167181589 /nfs/dbraw/zinc/18/15/89/1167181589.db2.gz ITSZJEJYKCQQKN-ZETCQYMHSA-N -1 1 324.366 0.529 20 0 DCADMM COC(=O)C[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)C1CC1 ZINC001591258517 1167183569 /nfs/dbraw/zinc/18/35/69/1167183569.db2.gz MOXDKEHVHSVBIU-VIFPVBQESA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)C[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)C1CC1 ZINC001591258517 1167183575 /nfs/dbraw/zinc/18/35/75/1167183575.db2.gz MOXDKEHVHSVBIU-VIFPVBQESA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)CCCN(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591262499 1167187068 /nfs/dbraw/zinc/18/70/68/1167187068.db2.gz WHGADCCYSWPDTF-UHFFFAOYSA-N -1 1 309.351 0.953 20 0 DCADMM COC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001591272663 1167191812 /nfs/dbraw/zinc/19/18/12/1167191812.db2.gz PCNUJNTYQVAZDJ-UHFFFAOYSA-N -1 1 318.341 0.547 20 0 DCADMM COC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001591272663 1167191814 /nfs/dbraw/zinc/19/18/14/1167191814.db2.gz PCNUJNTYQVAZDJ-UHFFFAOYSA-N -1 1 318.341 0.547 20 0 DCADMM COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591277877 1167195467 /nfs/dbraw/zinc/19/54/67/1167195467.db2.gz KGKMWFYGCUTMCK-QMMMGPOBSA-N -1 1 307.335 0.706 20 0 DCADMM COC(=O)[C@@]1(C)CN(c2cc(-c3nnn[n-]3)nc(C)n2)C[C@@H]1C ZINC001591282494 1167198062 /nfs/dbraw/zinc/19/80/62/1167198062.db2.gz ZUMOAICJSDEKDB-RTHLEPHNSA-N -1 1 317.353 0.601 20 0 DCADMM COC(=O)[C@@]1(C)CN(c2cc(-c3nn[n-]n3)nc(C)n2)C[C@@H]1C ZINC001591282494 1167198068 /nfs/dbraw/zinc/19/80/68/1167198068.db2.gz ZUMOAICJSDEKDB-RTHLEPHNSA-N -1 1 317.353 0.601 20 0 DCADMM COC(=O)c1cc(CNc2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001591288397 1167201875 /nfs/dbraw/zinc/20/18/75/1167201875.db2.gz RFJXIOPHWHVQOZ-UHFFFAOYSA-N -1 1 312.293 0.450 20 0 DCADMM COC(=O)c1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001591288397 1167201881 /nfs/dbraw/zinc/20/18/81/1167201881.db2.gz RFJXIOPHWHVQOZ-UHFFFAOYSA-N -1 1 312.293 0.450 20 0 DCADMM COC(=O)c1ccc(N2CCC(=O)CC2)c(-c2nnn[n-]2)n1 ZINC001591293168 1167204529 /nfs/dbraw/zinc/20/45/29/1167204529.db2.gz BZYQDFPGRIETLT-UHFFFAOYSA-N -1 1 302.294 0.218 20 0 DCADMM COC(=O)c1ccc(N2CCC(=O)CC2)c(-c2nn[n-]n2)n1 ZINC001591293168 1167204532 /nfs/dbraw/zinc/20/45/32/1167204532.db2.gz BZYQDFPGRIETLT-UHFFFAOYSA-N -1 1 302.294 0.218 20 0 DCADMM CO[C@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001591317849 1167212654 /nfs/dbraw/zinc/21/26/54/1167212654.db2.gz XRPHUKALPLZAEF-QMMMGPOBSA-N -1 1 320.338 0.383 20 0 DCADMM CO[C@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001591317849 1167212661 /nfs/dbraw/zinc/21/26/61/1167212661.db2.gz XRPHUKALPLZAEF-QMMMGPOBSA-N -1 1 320.338 0.383 20 0 DCADMM CO[C@H](C)c1noc(CN(C)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001591325250 1167214121 /nfs/dbraw/zinc/21/41/21/1167214121.db2.gz MZFAYIQYYQPIJA-MRVPVSSYSA-N -1 1 316.325 0.989 20 0 DCADMM CO[C@H](C)c1noc(CN(C)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001591325250 1167214127 /nfs/dbraw/zinc/21/41/27/1167214127.db2.gz MZFAYIQYYQPIJA-MRVPVSSYSA-N -1 1 316.325 0.989 20 0 DCADMM CO[C@@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)C(F)(F)F ZINC001591326487 1167217173 /nfs/dbraw/zinc/21/71/73/1167217173.db2.gz MAARAFPELJYNRQ-YFKPBYRVSA-N -1 1 305.220 0.253 20 0 DCADMM CO[C@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC001591330917 1167218019 /nfs/dbraw/zinc/21/80/19/1167218019.db2.gz WLLPKIRHFKJVHH-JOYOIKCWSA-N -1 1 318.337 0.043 20 0 DCADMM CO[C@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)[C@H]1CCOC1 ZINC001591330917 1167218026 /nfs/dbraw/zinc/21/80/26/1167218026.db2.gz WLLPKIRHFKJVHH-JOYOIKCWSA-N -1 1 318.337 0.043 20 0 DCADMM COC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCOCC1 ZINC001591337300 1167221036 /nfs/dbraw/zinc/22/10/36/1167221036.db2.gz PBANDVGQGSRGRC-UHFFFAOYSA-N -1 1 319.321 0.501 20 0 DCADMM COC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCOCC1 ZINC001591337300 1167221043 /nfs/dbraw/zinc/22/10/43/1167221043.db2.gz PBANDVGQGSRGRC-UHFFFAOYSA-N -1 1 319.321 0.501 20 0 DCADMM CO[C@H]1CC[C@H](C)N(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591347058 1167227171 /nfs/dbraw/zinc/22/71/71/1167227171.db2.gz BDCKMVANOGRLOD-ONGXEEELSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@H]1CC[C@H](C)N(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591347058 1167227178 /nfs/dbraw/zinc/22/71/78/1167227178.db2.gz BDCKMVANOGRLOD-ONGXEEELSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@@H]1CC[C@H](C)N(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591347055 1167227416 /nfs/dbraw/zinc/22/74/16/1167227416.db2.gz BDCKMVANOGRLOD-GXSJLCMTSA-N -1 1 302.338 0.901 20 0 DCADMM CO[C@@H]1CC[C@H](C)N(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591347055 1167227424 /nfs/dbraw/zinc/22/74/24/1167227424.db2.gz BDCKMVANOGRLOD-GXSJLCMTSA-N -1 1 302.338 0.901 20 0 DCADMM COC1CCC(OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001591351389 1167228300 /nfs/dbraw/zinc/22/83/00/1167228300.db2.gz MENQZFHEQPRJPZ-XNWIYYODSA-N -1 1 321.341 0.520 20 0 DCADMM CO[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001591357958 1167233148 /nfs/dbraw/zinc/23/31/48/1167233148.db2.gz RFFQBSDXLDMNKA-BXKDBHETSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001591357958 1167233154 /nfs/dbraw/zinc/23/31/54/1167233154.db2.gz RFFQBSDXLDMNKA-BXKDBHETSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591360579 1167233631 /nfs/dbraw/zinc/23/36/31/1167233631.db2.gz IZQUAWNEGYZJTB-GXSJLCMTSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@@H]1COCC[C@H]1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591360579 1167233639 /nfs/dbraw/zinc/23/36/39/1167233639.db2.gz IZQUAWNEGYZJTB-GXSJLCMTSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591360816 1167233785 /nfs/dbraw/zinc/23/37/85/1167233785.db2.gz JMBRVXJIWABVRL-DTWKUNHWSA-N -1 1 323.378 0.804 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591360816 1167233791 /nfs/dbraw/zinc/23/37/91/1167233791.db2.gz JMBRVXJIWABVRL-DTWKUNHWSA-N -1 1 323.378 0.804 20 0 DCADMM CO[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC[C@H]1C ZINC001591361063 1167236404 /nfs/dbraw/zinc/23/64/04/1167236404.db2.gz LRJUDDFLUGMPEZ-MFKMUULPSA-N -1 1 316.365 0.688 20 0 DCADMM CO[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC[C@H]1C ZINC001591361063 1167236412 /nfs/dbraw/zinc/23/64/12/1167236412.db2.gz LRJUDDFLUGMPEZ-MFKMUULPSA-N -1 1 316.365 0.688 20 0 DCADMM COCC(C)(C)CCNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591368982 1167243024 /nfs/dbraw/zinc/24/30/24/1167243024.db2.gz ZEIIWMFKCOJJAM-VIFPVBQESA-N -1 1 322.373 0.198 20 0 DCADMM COC[C@H](C)OC[C@@H](O)COc1cccnc1-c1nnn[n-]1 ZINC001591374667 1167245092 /nfs/dbraw/zinc/24/50/92/1167245092.db2.gz GRKGENOZBQOWOA-VHSXEESVSA-N -1 1 309.326 0.053 20 0 DCADMM COC[C@H](C)OC[C@@H](O)COc1cccnc1-c1nn[n-]n1 ZINC001591374667 1167245099 /nfs/dbraw/zinc/24/50/99/1167245099.db2.gz GRKGENOZBQOWOA-VHSXEESVSA-N -1 1 309.326 0.053 20 0 DCADMM COC[C@@H](Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001591379020 1167250354 /nfs/dbraw/zinc/25/03/54/1167250354.db2.gz CMDDWBSHFIDWKY-GFCCVEGCSA-N -1 1 311.349 0.748 20 0 DCADMM COC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001591382032 1167251998 /nfs/dbraw/zinc/25/19/98/1167251998.db2.gz BXJZHXPHRGSBFW-CYBMUJFWSA-N -1 1 304.354 0.537 20 0 DCADMM COC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001591382032 1167252000 /nfs/dbraw/zinc/25/20/00/1167252000.db2.gz BXJZHXPHRGSBFW-CYBMUJFWSA-N -1 1 304.354 0.537 20 0 DCADMM COC[C@@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001591386579 1167255619 /nfs/dbraw/zinc/25/56/19/1167255619.db2.gz QIEZZGPXXFBGJN-CQSZACIVSA-N -1 1 318.337 0.139 20 0 DCADMM COC[C@@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001591386579 1167255627 /nfs/dbraw/zinc/25/56/27/1167255627.db2.gz QIEZZGPXXFBGJN-CQSZACIVSA-N -1 1 318.337 0.139 20 0 DCADMM COCC1(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCC1 ZINC001591389333 1167258057 /nfs/dbraw/zinc/25/80/57/1167258057.db2.gz VGHTZIPUDKCQNH-UHFFFAOYSA-N -1 1 306.326 0.391 20 0 DCADMM COCC1(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCC1 ZINC001591389333 1167258064 /nfs/dbraw/zinc/25/80/64/1167258064.db2.gz VGHTZIPUDKCQNH-UHFFFAOYSA-N -1 1 306.326 0.391 20 0 DCADMM COC[C@@H]1CCCN1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591394337 1167259952 /nfs/dbraw/zinc/25/99/52/1167259952.db2.gz QZPKGMKWCUHAPG-QMMMGPOBSA-N -1 1 308.367 0.684 20 0 DCADMM COC[C@@H]1CCCN1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591394337 1167259958 /nfs/dbraw/zinc/25/99/58/1167259958.db2.gz QZPKGMKWCUHAPG-QMMMGPOBSA-N -1 1 308.367 0.684 20 0 DCADMM COCC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591399962 1167269306 /nfs/dbraw/zinc/26/93/06/1167269306.db2.gz YQQWSMHMICYLFO-SSDOTTSWSA-N -1 1 317.396 0.632 20 0 DCADMM COCC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591399962 1167269310 /nfs/dbraw/zinc/26/93/10/1167269310.db2.gz YQQWSMHMICYLFO-SSDOTTSWSA-N -1 1 317.396 0.632 20 0 DCADMM COCc1sccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001591463857 1167295755 /nfs/dbraw/zinc/29/57/55/1167295755.db2.gz JUKQSEGXOYGUAE-UHFFFAOYSA-N -1 1 305.323 0.542 20 0 DCADMM CON(C)C(=O)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001591463045 1167297276 /nfs/dbraw/zinc/29/72/76/1167297276.db2.gz QQHSLRZGPORQTQ-UHFFFAOYSA-N -1 1 314.309 0.145 20 0 DCADMM CONC(=O)C1CCN(c2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001591467809 1167299400 /nfs/dbraw/zinc/29/94/00/1167299400.db2.gz WPWQJUNJNVVZTG-UHFFFAOYSA-N -1 1 317.353 0.464 20 0 DCADMM CONC(=O)C1CCN(c2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001591467809 1167299405 /nfs/dbraw/zinc/29/94/05/1167299405.db2.gz WPWQJUNJNVVZTG-UHFFFAOYSA-N -1 1 317.353 0.464 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCCc1nc(C)no1 ZINC001591475140 1167307086 /nfs/dbraw/zinc/30/70/86/1167307086.db2.gz RORYEXZMVOVJIV-UHFFFAOYSA-N -1 1 317.309 0.361 20 0 DCADMM COc1cccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001591632039 1167342282 /nfs/dbraw/zinc/34/22/82/1167342282.db2.gz VNLSZBUGGYUXMR-UHFFFAOYSA-N -1 1 311.305 0.942 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001591673329 1167347696 /nfs/dbraw/zinc/34/76/96/1167347696.db2.gz IVEUSTGTGHDMIK-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001591673329 1167347699 /nfs/dbraw/zinc/34/76/99/1167347699.db2.gz IVEUSTGTGHDMIK-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001591674507 1167350897 /nfs/dbraw/zinc/35/08/97/1167350897.db2.gz YJHSYSXOJLOGAG-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001591674507 1167350902 /nfs/dbraw/zinc/35/09/02/1167350902.db2.gz YJHSYSXOJLOGAG-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM C[C@@H]1COCCN1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001591752494 1167366206 /nfs/dbraw/zinc/36/62/06/1167366206.db2.gz MMJMDVJZEOAEKF-SNVBAGLBSA-N -1 1 316.365 0.195 20 0 DCADMM Cc1c(-c2cnc(Cl)n2C)cn(C)c(=O)c1-c1nn[n-]n1 ZINC001591794713 1167380911 /nfs/dbraw/zinc/38/09/11/1167380911.db2.gz MKKFNWOZTVTXLV-UHFFFAOYSA-N -1 1 305.729 0.928 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCC(F)(F)F ZINC001591836030 1167391676 /nfs/dbraw/zinc/39/16/76/1167391676.db2.gz VCMVKFXHYQXNAI-UHFFFAOYSA-N -1 1 316.243 0.958 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)S(=O)[C@H](C)C2)n1 ZINC001591884234 1167409604 /nfs/dbraw/zinc/40/96/04/1167409604.db2.gz SVYQEHYLXBSUEH-RKDXNWHRSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)S(=O)[C@H](C)C2)n1 ZINC001591884234 1167409611 /nfs/dbraw/zinc/40/96/11/1167409611.db2.gz SVYQEHYLXBSUEH-RKDXNWHRSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](CC(N)=O)C2)c1 ZINC001591888122 1167411066 /nfs/dbraw/zinc/41/10/66/1167411066.db2.gz DZBZWLSTJVDLSG-JTQLQIEISA-N -1 1 301.354 0.662 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](CC(N)=O)C2)c1 ZINC001591888122 1167411072 /nfs/dbraw/zinc/41/10/72/1167411072.db2.gz DZBZWLSTJVDLSG-JTQLQIEISA-N -1 1 301.354 0.662 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@H]2CC2CC2)n1 ZINC001591888802 1167411510 /nfs/dbraw/zinc/41/15/10/1167411510.db2.gz PCZMGKXNKBSMJT-LLVKDONJSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@H]2CC2CC2)n1 ZINC001591888802 1167411512 /nfs/dbraw/zinc/41/15/12/1167411512.db2.gz PCZMGKXNKBSMJT-LLVKDONJSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC[S@](=O)C(C)(C)C)n1 ZINC001591899712 1167412697 /nfs/dbraw/zinc/41/26/97/1167412697.db2.gz SWEQHZALSIMCSM-NRFANRHFSA-N -1 1 309.399 0.924 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[S@](=O)C(C)(C)C)n1 ZINC001591899712 1167412702 /nfs/dbraw/zinc/41/27/02/1167412702.db2.gz SWEQHZALSIMCSM-NRFANRHFSA-N -1 1 309.399 0.924 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCOC23CCOCC3)n1 ZINC001591894078 1167413108 /nfs/dbraw/zinc/41/31/08/1167413108.db2.gz YSLMJPYODNQITJ-NSHDSACASA-N -1 1 317.353 0.715 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCOC23CCOCC3)n1 ZINC001591894078 1167413110 /nfs/dbraw/zinc/41/31/10/1167413110.db2.gz YSLMJPYODNQITJ-NSHDSACASA-N -1 1 317.353 0.715 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC(C)(C)[C@]2(O)CCOC2)n1 ZINC001591893738 1167413209 /nfs/dbraw/zinc/41/32/09/1167413209.db2.gz RJMDWELUNSXHJI-AWEZNQCLSA-N -1 1 319.369 0.555 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC(C)(C)[C@]2(O)CCOC2)n1 ZINC001591893738 1167413215 /nfs/dbraw/zinc/41/32/15/1167413215.db2.gz RJMDWELUNSXHJI-AWEZNQCLSA-N -1 1 319.369 0.555 20 0 DCADMM Cc1cc(C(=O)COc2cnc(-c3nn[n-]n3)nc2)c(C)n1C ZINC001591906820 1167414952 /nfs/dbraw/zinc/41/49/52/1167414952.db2.gz JIUFWTYGHJVWNF-UHFFFAOYSA-N -1 1 313.321 0.874 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)[C@H]2CC2(F)F)n1 ZINC001591899972 1167415968 /nfs/dbraw/zinc/41/59/68/1167415968.db2.gz GHORJBSWAZMSBG-SSDOTTSWSA-N -1 1 324.295 0.148 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)[C@H]2CC2(F)F)n1 ZINC001591899972 1167415971 /nfs/dbraw/zinc/41/59/71/1167415971.db2.gz GHORJBSWAZMSBG-SSDOTTSWSA-N -1 1 324.295 0.148 20 0 DCADMM Cc1cc(C)cc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001591952578 1167425251 /nfs/dbraw/zinc/42/52/51/1167425251.db2.gz QPVHGOIXUYIGNL-UHFFFAOYSA-N -1 1 312.337 0.505 20 0 DCADMM Cc1cc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC001591965574 1167425557 /nfs/dbraw/zinc/42/55/57/1167425557.db2.gz WUJBIKRLGPDHHF-UHFFFAOYSA-N -1 1 309.333 0.824 20 0 DCADMM Cc1cc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001591965574 1167425562 /nfs/dbraw/zinc/42/55/62/1167425562.db2.gz WUJBIKRLGPDHHF-UHFFFAOYSA-N -1 1 309.333 0.824 20 0 DCADMM Cc1cc(=O)[nH]c(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592015045 1167435317 /nfs/dbraw/zinc/43/53/17/1167435317.db2.gz FWMXUDLZWPZQAY-ZETCQYMHSA-N -1 1 315.297 0.067 20 0 DCADMM Cc1cc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)nc(-c2nnn[n-]2)c1 ZINC001592036710 1167441513 /nfs/dbraw/zinc/44/15/13/1167441513.db2.gz UWTFYYIRNZZPSN-ZJUUUORDSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1cc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)nc(-c2nn[n-]n2)c1 ZINC001592036710 1167441517 /nfs/dbraw/zinc/44/15/17/1167441517.db2.gz UWTFYYIRNZZPSN-ZJUUUORDSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001592110221 1167459254 /nfs/dbraw/zinc/45/92/54/1167459254.db2.gz LOVLBAGZQQZNLL-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001592110221 1167459258 /nfs/dbraw/zinc/45/92/58/1167459258.db2.gz LOVLBAGZQQZNLL-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc([C@H](C)C(=O)NCCn2cnc(-c3nn[n-]n3)n2)o1 ZINC001592134566 1167464170 /nfs/dbraw/zinc/46/41/70/1167464170.db2.gz FTZNRORGXULFCI-VIFPVBQESA-N -1 1 316.325 0.280 20 0 DCADMM Cc1ccc(F)cc1C(=O)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592174078 1167468944 /nfs/dbraw/zinc/46/89/44/1167468944.db2.gz HCWRCZVCSSLQIR-UHFFFAOYSA-N -1 1 315.268 0.859 20 0 DCADMM Cc1ccc(F)cc1C(=O)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592174078 1167468949 /nfs/dbraw/zinc/46/89/49/1167468949.db2.gz HCWRCZVCSSLQIR-UHFFFAOYSA-N -1 1 315.268 0.859 20 0 DCADMM Cc1ccc(N2CCN(c3nccnn3)CC2)nc1-c1nnn[n-]1 ZINC001592176778 1167470444 /nfs/dbraw/zinc/47/04/44/1167470444.db2.gz XWGNNKZUNYZUTJ-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1ccc(N2CCN(c3nccnn3)CC2)nc1-c1nn[n-]n1 ZINC001592176778 1167470447 /nfs/dbraw/zinc/47/04/47/1167470447.db2.gz XWGNNKZUNYZUTJ-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1ccn(Cc2cn(C(C)(C)C)nn2)c(=O)c1-c1nn[n-]n1 ZINC001592265713 1167480214 /nfs/dbraw/zinc/48/02/14/1167480214.db2.gz JZEBKBFRBWPVBX-UHFFFAOYSA-N -1 1 314.353 0.732 20 0 DCADMM Cc1cccn2cc(Cn3c(=O)[nH]cc(-c4nnn[n-]4)c3=O)nc12 ZINC001592261197 1167481131 /nfs/dbraw/zinc/48/11/31/1167481131.db2.gz YIQBCHIIIKJYCW-UHFFFAOYSA-N -1 1 324.304 0.133 20 0 DCADMM Cc1cnc(COCC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)o1 ZINC001592295285 1167483762 /nfs/dbraw/zinc/48/37/62/1167483762.db2.gz YPEHGYWBTYQQNG-UHFFFAOYSA-N -1 1 318.297 0.350 20 0 DCADMM Cc1ccoc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001592283572 1167485495 /nfs/dbraw/zinc/48/54/95/1167485495.db2.gz IFOSYESIGPMUQV-UHFFFAOYSA-N -1 1 302.298 0.823 20 0 DCADMM Cc1ccoc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001592283572 1167485498 /nfs/dbraw/zinc/48/54/98/1167485498.db2.gz IFOSYESIGPMUQV-UHFFFAOYSA-N -1 1 302.298 0.823 20 0 DCADMM Cc1cnc(SCc2ncc(-c3nn[nH]n3)cn2)[n-]c1=O ZINC001592295307 1167485640 /nfs/dbraw/zinc/48/56/40/1167485640.db2.gz XEHSYOICLXIIRS-UHFFFAOYSA-N -1 1 302.323 0.753 20 0 DCADMM Cc1[nH]nc(NC(=O)C2(c3cccnc3)CC2)c1-c1nn[n-]n1 ZINC001592327655 1167488191 /nfs/dbraw/zinc/48/81/91/1167488191.db2.gz KSWDZYJWYDVBPE-UHFFFAOYSA-N -1 1 310.321 0.964 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC001592328080 1167489003 /nfs/dbraw/zinc/48/90/03/1167489003.db2.gz PSJYRFBOMMVRAT-HZGVNTEJSA-N -1 1 303.326 0.842 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ncc(Cl)cn2)c1-c1nn[n-]n1 ZINC001592331230 1167490289 /nfs/dbraw/zinc/49/02/89/1167490289.db2.gz VNWGSADJCSCAQT-UHFFFAOYSA-N -1 1 305.689 0.594 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC001592338345 1167493075 /nfs/dbraw/zinc/49/30/75/1167493075.db2.gz ZVCDYODNSHKHON-JTQLQIEISA-N -1 1 315.259 0.469 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC001592338345 1167493079 /nfs/dbraw/zinc/49/30/79/1167493079.db2.gz ZVCDYODNSHKHON-JTQLQIEISA-N -1 1 315.259 0.469 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@](CO)(C(C)C)C2)n1 ZINC001592338247 1167494463 /nfs/dbraw/zinc/49/44/63/1167494463.db2.gz XBDZOGQQVAZMJE-CQSZACIVSA-N -1 1 303.370 0.810 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@](CO)(C(C)C)C2)n1 ZINC001592338247 1167494468 /nfs/dbraw/zinc/49/44/68/1167494468.db2.gz XBDZOGQQVAZMJE-CQSZACIVSA-N -1 1 303.370 0.810 20 0 DCADMM Cc1nnc2n1CCN(c1cc(-c3nnn[n-]3)nc(C)n1)[C@@H]2C ZINC001592341188 1167495055 /nfs/dbraw/zinc/49/50/55/1167495055.db2.gz ORODYDHPHFZLKR-SSDOTTSWSA-N -1 1 312.341 0.446 20 0 DCADMM Cc1nnc2n1CCN(c1cc(-c3nn[n-]n3)nc(C)n1)[C@@H]2C ZINC001592341188 1167495056 /nfs/dbraw/zinc/49/50/56/1167495056.db2.gz ORODYDHPHFZLKR-SSDOTTSWSA-N -1 1 312.341 0.446 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCN(CC(C)C)C(=O)C2)n1 ZINC001592340190 1167495740 /nfs/dbraw/zinc/49/57/40/1167495740.db2.gz DSIVZUNEFSSCLC-UHFFFAOYSA-N -1 1 316.369 0.270 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCN(CC(C)C)C(=O)C2)n1 ZINC001592340190 1167495743 /nfs/dbraw/zinc/49/57/43/1167495743.db2.gz DSIVZUNEFSSCLC-UHFFFAOYSA-N -1 1 316.369 0.270 20 0 DCADMM Cc1nc(Cc2noc(-c3coc(-c4nnn[n-]4)c3)n2)no1 ZINC001592362539 1167504349 /nfs/dbraw/zinc/50/43/49/1167504349.db2.gz KBEGHXAURDSGSY-UHFFFAOYSA-N -1 1 300.238 0.792 20 0 DCADMM Cc1nc(Cc2noc(-c3coc(-c4nn[n-]n4)c3)n2)no1 ZINC001592362539 1167504354 /nfs/dbraw/zinc/50/43/54/1167504354.db2.gz KBEGHXAURDSGSY-UHFFFAOYSA-N -1 1 300.238 0.792 20 0 DCADMM Cc1nc(N[C@@H]2CCc3c(nnn3C)C2)cc(-c2nnn[n-]2)n1 ZINC001592382960 1167510359 /nfs/dbraw/zinc/51/03/59/1167510359.db2.gz NFJBFLKFINUUIA-MRVPVSSYSA-N -1 1 312.341 0.063 20 0 DCADMM Cc1nc(N[C@@H]2CCc3c(nnn3C)C2)cc(-c2nn[n-]n2)n1 ZINC001592382960 1167510364 /nfs/dbraw/zinc/51/03/64/1167510364.db2.gz NFJBFLKFINUUIA-MRVPVSSYSA-N -1 1 312.341 0.063 20 0 DCADMM Cc1nnc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001592443548 1167525752 /nfs/dbraw/zinc/52/57/52/1167525752.db2.gz BHWWIDOGFSIRAD-UHFFFAOYSA-N -1 1 316.350 0.281 20 0 DCADMM Cc1nnc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001592443548 1167525759 /nfs/dbraw/zinc/52/57/59/1167525759.db2.gz BHWWIDOGFSIRAD-UHFFFAOYSA-N -1 1 316.350 0.281 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H](C)[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC001592442783 1167525789 /nfs/dbraw/zinc/52/57/89/1167525789.db2.gz PHZGRBYAXDQLHV-APPZFPTMSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H](C)[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001592442783 1167525796 /nfs/dbraw/zinc/52/57/96/1167525796.db2.gz PHZGRBYAXDQLHV-APPZFPTMSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nnc(CNC(=O)c2csc(-c3nn[n-]n3)c2)n1C ZINC001592444494 1167527361 /nfs/dbraw/zinc/52/73/61/1167527361.db2.gz UHCKFSCNKKONAO-UHFFFAOYSA-N -1 1 304.339 0.295 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2C[C@H](O)C2(C)C)c1-c1nnn[n-]1 ZINC001592481186 1167534388 /nfs/dbraw/zinc/53/43/88/1167534388.db2.gz HVPYRNYXZLPXKB-BQBZGAKWSA-N -1 1 323.382 0.913 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2C[C@H](O)C2(C)C)c1-c1nn[n-]n1 ZINC001592481186 1167534393 /nfs/dbraw/zinc/53/43/93/1167534393.db2.gz HVPYRNYXZLPXKB-BQBZGAKWSA-N -1 1 323.382 0.913 20 0 DCADMM Cc1nsc(NCC(=O)NCc2ccco2)c1-c1nn[n-]n1 ZINC001592486296 1167536264 /nfs/dbraw/zinc/53/62/64/1167536264.db2.gz JMKYOAPCOZFNNL-UHFFFAOYSA-N -1 1 319.350 0.953 20 0 DCADMM Cc1nsc(NCCN2C(=O)CCC2=O)c1-c1nn[n-]n1 ZINC001592491700 1167536331 /nfs/dbraw/zinc/53/63/31/1167536331.db2.gz RVXAKBVUZGUCOZ-UHFFFAOYSA-N -1 1 307.339 0.193 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1nncn1C1CC1 ZINC001592501773 1167542258 /nfs/dbraw/zinc/54/22/58/1167542258.db2.gz SABBUUUDAMPIOK-UHFFFAOYSA-N -1 1 314.309 0.625 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1nncn1C1CC1 ZINC001592501773 1167542264 /nfs/dbraw/zinc/54/22/64/1167542264.db2.gz SABBUUUDAMPIOK-UHFFFAOYSA-N -1 1 314.309 0.625 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCOC(=O)N(C)C ZINC001592501886 1167542742 /nfs/dbraw/zinc/54/27/42/1167542742.db2.gz UMVQCXKEYFCHRS-UHFFFAOYSA-N -1 1 308.298 0.196 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCOC(=O)N(C)C ZINC001592501886 1167542745 /nfs/dbraw/zinc/54/27/45/1167542745.db2.gz UMVQCXKEYFCHRS-UHFFFAOYSA-N -1 1 308.298 0.196 20 0 DCADMM Cc1onc(CC(=O)N[C@H](CO)C(C)(C)C)c1-c1nnn[n-]1 ZINC001592516277 1167546556 /nfs/dbraw/zinc/54/65/56/1167546556.db2.gz DRHHUZOVZJKPMI-SECBINFHSA-N -1 1 308.342 0.229 20 0 DCADMM Cc1onc(CC(=O)N[C@H](CO)C(C)(C)C)c1-c1nn[n-]n1 ZINC001592516277 1167546561 /nfs/dbraw/zinc/54/65/61/1167546561.db2.gz DRHHUZOVZJKPMI-SECBINFHSA-N -1 1 308.342 0.229 20 0 DCADMM Cc1onc(CC(=O)NCCSC(C)C)c1-c1nnn[n-]1 ZINC001592517284 1167546704 /nfs/dbraw/zinc/54/67/04/1167546704.db2.gz RZCBBZRLSKQASO-UHFFFAOYSA-N -1 1 310.383 0.963 20 0 DCADMM Cc1onc(CC(=O)NCCSC(C)C)c1-c1nn[n-]n1 ZINC001592517284 1167546707 /nfs/dbraw/zinc/54/67/07/1167546707.db2.gz RZCBBZRLSKQASO-UHFFFAOYSA-N -1 1 310.383 0.963 20 0 DCADMM Cc1onc(CC(=O)N[C@](C)(CO)C(C)C)c1-c1nnn[n-]1 ZINC001592516007 1167546850 /nfs/dbraw/zinc/54/68/50/1167546850.db2.gz WPSUCYBIFKECKT-CYBMUJFWSA-N -1 1 308.342 0.229 20 0 DCADMM Cc1onc(CC(=O)N[C@](C)(CO)C(C)C)c1-c1nn[n-]n1 ZINC001592516007 1167546856 /nfs/dbraw/zinc/54/68/56/1167546856.db2.gz WPSUCYBIFKECKT-CYBMUJFWSA-N -1 1 308.342 0.229 20 0 DCADMM Cc1onc(CC(=O)Nc2cnn(C(F)F)c2)c1-c1nnn[n-]1 ZINC001592516985 1167547914 /nfs/dbraw/zinc/54/79/14/1167547914.db2.gz PBACBHCWFRLXFM-UHFFFAOYSA-N -1 1 324.251 0.936 20 0 DCADMM Cc1onc(CC(=O)Nc2cnn(C(F)F)c2)c1-c1nn[n-]n1 ZINC001592516985 1167547917 /nfs/dbraw/zinc/54/79/17/1167547917.db2.gz PBACBHCWFRLXFM-UHFFFAOYSA-N -1 1 324.251 0.936 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCC[C@@H]2CCO)c1-c1nnn[n-]1 ZINC001592517811 1167548368 /nfs/dbraw/zinc/54/83/68/1167548368.db2.gz RXKOURJNUZXFPV-NXEZZACHSA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCC[C@@H]2CCO)c1-c1nn[n-]n1 ZINC001592517811 1167548372 /nfs/dbraw/zinc/54/83/72/1167548372.db2.gz RXKOURJNUZXFPV-NXEZZACHSA-N -1 1 320.353 0.373 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)c3ccc(-c4nn[nH]n4)cc3)ccnc1-2 ZINC001592545051 1167549504 /nfs/dbraw/zinc/54/95/04/1167549504.db2.gz QWIYHQVTASXURT-UHFFFAOYSA-N -1 1 320.316 0.774 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Cl)s2)c1=O ZINC001592558153 1167558608 /nfs/dbraw/zinc/55/86/08/1167558608.db2.gz QPPBXTZAQCOCMI-UHFFFAOYSA-N -1 1 324.753 0.490 20 0 DCADMM Cn1cc(CCn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)nn1 ZINC001592573333 1167565744 /nfs/dbraw/zinc/56/57/44/1167565744.db2.gz GARNQRWSWQAVDD-UHFFFAOYSA-N -1 1 322.332 0.553 20 0 DCADMM Cn1ccnc1CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592585972 1167570310 /nfs/dbraw/zinc/57/03/10/1167570310.db2.gz RAFVKGBARLGXBR-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1ncc(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)n1 ZINC001592600702 1167578466 /nfs/dbraw/zinc/57/84/66/1167578466.db2.gz SKDGEKAETOSANJ-UHFFFAOYSA-N -1 1 305.327 0.023 20 0 DCADMM Cn1ncc(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)n1 ZINC001592600702 1167578470 /nfs/dbraw/zinc/57/84/70/1167578470.db2.gz SKDGEKAETOSANJ-UHFFFAOYSA-N -1 1 305.327 0.023 20 0 DCADMM FC(F)(F)[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)O1 ZINC001592614184 1167585760 /nfs/dbraw/zinc/58/57/60/1167585760.db2.gz TXHRAMCZECPQLE-RQJHMYQMSA-N -1 1 315.259 0.600 20 0 DCADMM FC(F)(F)CN1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001592614064 1167586517 /nfs/dbraw/zinc/58/65/17/1167586517.db2.gz BIPCVIKNMGVKMY-UHFFFAOYSA-N -1 1 314.275 0.341 20 0 DCADMM FC(F)(F)CN1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001592614064 1167586528 /nfs/dbraw/zinc/58/65/28/1167586528.db2.gz BIPCVIKNMGVKMY-UHFFFAOYSA-N -1 1 314.275 0.341 20 0 DCADMM Fc1ccccc1-n1ccc(Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC001592660521 1167591780 /nfs/dbraw/zinc/59/17/80/1167591780.db2.gz DCAVEFRUNPWQDD-UHFFFAOYSA-N -1 1 311.284 0.831 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001592735024 1167620701 /nfs/dbraw/zinc/62/07/01/1167620701.db2.gz GCGZGVFOWNFEFI-NKWVEPMBSA-N -1 1 306.351 0.312 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001592735024 1167620704 /nfs/dbraw/zinc/62/07/04/1167620704.db2.gz GCGZGVFOWNFEFI-NKWVEPMBSA-N -1 1 306.351 0.312 20 0 DCADMM NC(=O)c1csc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001592737860 1167622881 /nfs/dbraw/zinc/62/28/81/1167622881.db2.gz RRTDCDLMXRTXTO-UHFFFAOYSA-N -1 1 304.295 0.003 20 0 DCADMM NC(=O)c1csc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001592737860 1167622883 /nfs/dbraw/zinc/62/28/83/1167622883.db2.gz RRTDCDLMXRTXTO-UHFFFAOYSA-N -1 1 304.295 0.003 20 0 DCADMM NC(=O)c1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)c[nH]1 ZINC001592735530 1167622917 /nfs/dbraw/zinc/62/29/17/1167622917.db2.gz VDMCBOUTRIZHCS-UHFFFAOYSA-N -1 1 315.268 0.685 20 0 DCADMM NC(=O)c1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)c[nH]1 ZINC001592735530 1167622920 /nfs/dbraw/zinc/62/29/20/1167622920.db2.gz VDMCBOUTRIZHCS-UHFFFAOYSA-N -1 1 315.268 0.685 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1OCCc2ccccc21 ZINC001592754894 1167633680 /nfs/dbraw/zinc/63/36/80/1167633680.db2.gz VKYJYRSGLPAHIR-NSHDSACASA-N -1 1 311.305 0.600 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCc2cccc(O)c21 ZINC001592754492 1167633718 /nfs/dbraw/zinc/63/37/18/1167633718.db2.gz NVGMHAAMYRDWEM-QMMMGPOBSA-N -1 1 311.305 0.721 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCOc2ccccc21 ZINC001592754501 1167633824 /nfs/dbraw/zinc/63/38/24/1167633824.db2.gz OEUMFSDMOGQNHV-VIFPVBQESA-N -1 1 311.305 0.852 20 0 DCADMM O=C(C=C1CCC1)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001592787660 1167643061 /nfs/dbraw/zinc/64/30/61/1167643061.db2.gz NUHDAISKKGOVPJ-UHFFFAOYSA-N -1 1 314.353 0.685 20 0 DCADMM O=C(C=C1CCC1)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001592787660 1167643066 /nfs/dbraw/zinc/64/30/66/1167643066.db2.gz NUHDAISKKGOVPJ-UHFFFAOYSA-N -1 1 314.353 0.685 20 0 DCADMM O=C(/C=C\[C@H]1CCOC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592795257 1167643423 /nfs/dbraw/zinc/64/34/23/1167643423.db2.gz PQJGZZCLVZGWNT-SYBPUXJVSA-N -1 1 301.306 0.898 20 0 DCADMM O=C(/C=C\[C@H]1CCOC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592795257 1167643426 /nfs/dbraw/zinc/64/34/26/1167643426.db2.gz PQJGZZCLVZGWNT-SYBPUXJVSA-N -1 1 301.306 0.898 20 0 DCADMM O=C(CC1(O)CCCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592806567 1167645816 /nfs/dbraw/zinc/64/58/16/1167645816.db2.gz AVWCMOXZIYBJHV-UHFFFAOYSA-N -1 1 302.338 0.573 20 0 DCADMM O=C(CC1(O)CCCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592806567 1167645818 /nfs/dbraw/zinc/64/58/18/1167645818.db2.gz AVWCMOXZIYBJHV-UHFFFAOYSA-N -1 1 302.338 0.573 20 0 DCADMM O=C(C[C@@H]1CCCOC1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592823765 1167646603 /nfs/dbraw/zinc/64/66/03/1167646603.db2.gz NUFMJTVCQMVCPA-QMMMGPOBSA-N -1 1 308.367 0.756 20 0 DCADMM O=C(C[C@@H]1CCCOC1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592823765 1167646610 /nfs/dbraw/zinc/64/66/10/1167646610.db2.gz NUFMJTVCQMVCPA-QMMMGPOBSA-N -1 1 308.367 0.756 20 0 DCADMM O=C(COC(F)(F)F)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592886249 1167657745 /nfs/dbraw/zinc/65/77/45/1167657745.db2.gz YLVRCGVAEMEWTP-UHFFFAOYSA-N -1 1 309.229 0.903 20 0 DCADMM O=C(COC(F)(F)F)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592886249 1167657749 /nfs/dbraw/zinc/65/77/49/1167657749.db2.gz YLVRCGVAEMEWTP-UHFFFAOYSA-N -1 1 309.229 0.903 20 0 DCADMM O=C(COc1ccccc1)COc1cnc(-c2nn[n-]n2)nc1 ZINC001592895246 1167659183 /nfs/dbraw/zinc/65/91/83/1167659183.db2.gz CFZNVYYFSVIVMB-UHFFFAOYSA-N -1 1 312.289 0.684 20 0 DCADMM O=C(CSC[C@H]1CCCCO1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592902737 1167660590 /nfs/dbraw/zinc/66/05/90/1167660590.db2.gz ZUPITFMANGHEQL-MRVPVSSYSA-N -1 1 323.382 0.831 20 0 DCADMM O=C(CSC[C@H]1CCCCO1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592902737 1167660596 /nfs/dbraw/zinc/66/05/96/1167660596.db2.gz ZUPITFMANGHEQL-MRVPVSSYSA-N -1 1 323.382 0.831 20 0 DCADMM O=C(CS(=O)(=O)C1CC1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592900184 1167660722 /nfs/dbraw/zinc/66/07/22/1167660722.db2.gz SFYSINCEYGAKDP-UHFFFAOYSA-N -1 1 312.307 0.080 20 0 DCADMM O=C(CS(=O)(=O)C1CC1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592900184 1167660725 /nfs/dbraw/zinc/66/07/25/1167660725.db2.gz SFYSINCEYGAKDP-UHFFFAOYSA-N -1 1 312.307 0.080 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc2c1CCO2 ZINC001592941993 1167669579 /nfs/dbraw/zinc/66/95/79/1167669579.db2.gz YQIHHALRAJQOFK-UHFFFAOYSA-N -1 1 312.293 0.032 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001592940805 1167670176 /nfs/dbraw/zinc/67/01/76/1167670176.db2.gz AFYACOYFOIXHBQ-IVZWLZJFSA-N -1 1 302.342 0.011 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)c1ccc(F)cc1F ZINC001592941789 1167670413 /nfs/dbraw/zinc/67/04/13/1167670413.db2.gz WIYVLAKXIZNRNW-UHFFFAOYSA-N -1 1 318.243 0.585 20 0 DCADMM O=C(N[C@@H](CCO)C(F)(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001592949465 1167672130 /nfs/dbraw/zinc/67/21/30/1167672130.db2.gz BBPRSUVDUVVLSL-ZETCQYMHSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(N[C@@H](CO)[C@@H]1CCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001592954269 1167673865 /nfs/dbraw/zinc/67/38/65/1167673865.db2.gz XVBHNOZEDDRNRH-APPZFPTMSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(NC1CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592966845 1167677409 /nfs/dbraw/zinc/67/74/09/1167677409.db2.gz FLOUGCTZCYSDLO-VIFPVBQESA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC1CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592966845 1167677413 /nfs/dbraw/zinc/67/74/13/1167677413.db2.gz FLOUGCTZCYSDLO-VIFPVBQESA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1CCc2c[nH]nc2C1)c1csc(-c2nn[n-]n2)c1 ZINC001592995397 1167680884 /nfs/dbraw/zinc/68/08/84/1167680884.db2.gz BHIWZLNZDVTHSK-VIFPVBQESA-N -1 1 315.362 0.939 20 0 DCADMM O=C(N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ncccc1[O-] ZINC001593006108 1167686083 /nfs/dbraw/zinc/68/60/83/1167686083.db2.gz ZPJDTIYXSWNRGJ-GFCCVEGCSA-N -1 1 322.328 0.865 20 0 DCADMM O=C(NC[C@H](O)c1ccncc1)c1coc(-c2nnn[n-]2)c1 ZINC001593013626 1167689265 /nfs/dbraw/zinc/68/92/65/1167689265.db2.gz HWSZUKFMOGZTAQ-JTQLQIEISA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@H](O)c1ccncc1)c1coc(-c2nn[n-]n2)c1 ZINC001593013626 1167689269 /nfs/dbraw/zinc/68/92/69/1167689269.db2.gz HWSZUKFMOGZTAQ-JTQLQIEISA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(-c2nnn[n-]2)o1 ZINC001593111019 1167712866 /nfs/dbraw/zinc/71/28/66/1167712866.db2.gz FFTOJLACQZZYED-AEJSXWLSSA-N -1 1 301.306 0.781 20 0 DCADMM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(-c2nn[n-]n2)o1 ZINC001593111019 1167712875 /nfs/dbraw/zinc/71/28/75/1167712875.db2.gz FFTOJLACQZZYED-AEJSXWLSSA-N -1 1 301.306 0.781 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCn2cncc2C1 ZINC001593146462 1167722918 /nfs/dbraw/zinc/72/29/18/1167722918.db2.gz PQWYYQLZVQOTII-NSHDSACASA-N -1 1 324.348 0.337 20 0 DCADMM O=C(N[C@]12C[C@H]1COC2)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593182159 1167732782 /nfs/dbraw/zinc/73/27/82/1167732782.db2.gz QBZJRGNMJNFVGS-AYVTZFPOSA-N -1 1 310.317 0.867 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc(=O)[nH]c(C2CC2)c1 ZINC001593198055 1167733960 /nfs/dbraw/zinc/73/39/60/1167733960.db2.gz UNTCUERABOMYDM-UHFFFAOYSA-N -1 1 312.293 0.820 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc(=O)[nH]c(C2CC2)c1 ZINC001593198055 1167733965 /nfs/dbraw/zinc/73/39/65/1167733965.db2.gz UNTCUERABOMYDM-UHFFFAOYSA-N -1 1 312.293 0.820 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1Cc2cc(F)ccc2O1 ZINC001593197611 1167735688 /nfs/dbraw/zinc/73/56/88/1167735688.db2.gz NICHYZNWPZRDKC-SNVBAGLBSA-N -1 1 315.268 0.671 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1Cc2cc(F)ccc2O1 ZINC001593197611 1167735698 /nfs/dbraw/zinc/73/56/98/1167735698.db2.gz NICHYZNWPZRDKC-SNVBAGLBSA-N -1 1 315.268 0.671 20 0 DCADMM O=C(Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1)[C@H]1C[C@H]1F ZINC001593252458 1167743903 /nfs/dbraw/zinc/74/39/03/1167743903.db2.gz HLRPNDRSQJERQH-JGVFFNPUSA-N -1 1 314.284 0.744 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H](O)CC1 ZINC001593255123 1167745261 /nfs/dbraw/zinc/74/52/61/1167745261.db2.gz DBKWYJVWNJRSMY-SNVBAGLBSA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H](O)CC1 ZINC001593255123 1167745269 /nfs/dbraw/zinc/74/52/69/1167745269.db2.gz DBKWYJVWNJRSMY-SNVBAGLBSA-N -1 1 303.326 0.640 20 0 DCADMM O=C(Nc1nc(CCO)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593263173 1167750682 /nfs/dbraw/zinc/75/06/82/1167750682.db2.gz GZCQNPUGHLADOY-UHFFFAOYSA-N -1 1 317.334 0.505 20 0 DCADMM O=C(Nc1nc(CCO)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593263173 1167750688 /nfs/dbraw/zinc/75/06/88/1167750688.db2.gz GZCQNPUGHLADOY-UHFFFAOYSA-N -1 1 317.334 0.505 20 0 DCADMM O=C([O-])C[NH+]1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001593278623 1167754814 /nfs/dbraw/zinc/75/48/14/1167754814.db2.gz PNTNMDFSVBXVAE-UHFFFAOYSA-N -1 1 320.328 0.967 20 0 DCADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cnn(CCF)c1 ZINC001593302330 1167767970 /nfs/dbraw/zinc/76/79/70/1167767970.db2.gz YDMBEMHSLCZKRF-UHFFFAOYSA-N -1 1 317.284 0.785 20 0 DCADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cnn(CCF)c1 ZINC001593302330 1167767974 /nfs/dbraw/zinc/76/79/74/1167767974.db2.gz YDMBEMHSLCZKRF-UHFFFAOYSA-N -1 1 317.284 0.785 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](c2cnccn2)C1 ZINC001593337325 1167777565 /nfs/dbraw/zinc/77/75/65/1167777565.db2.gz XKOAGUVTSCRRIW-NSHDSACASA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](c2cnccn2)C1 ZINC001593337325 1167777572 /nfs/dbraw/zinc/77/75/72/1167777572.db2.gz XKOAGUVTSCRRIW-NSHDSACASA-N -1 1 322.332 0.681 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(F)(F)[C@H](CO)C1 ZINC001593337318 1167779531 /nfs/dbraw/zinc/77/95/31/1167779531.db2.gz WUUWHNZEZHRBDC-VIFPVBQESA-N -1 1 324.291 0.351 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(F)(F)[C@H](CO)C1 ZINC001593337318 1167779532 /nfs/dbraw/zinc/77/95/32/1167779532.db2.gz WUUWHNZEZHRBDC-VIFPVBQESA-N -1 1 324.291 0.351 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@](O)(C2CC2)C1 ZINC001593340268 1167783355 /nfs/dbraw/zinc/78/33/55/1167783355.db2.gz ILMUYHYHIJIGPZ-CQSZACIVSA-N -1 1 303.322 0.837 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@](O)(C2CC2)C1 ZINC001593340268 1167783361 /nfs/dbraw/zinc/78/33/61/1167783361.db2.gz ILMUYHYHIJIGPZ-CQSZACIVSA-N -1 1 303.322 0.837 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@H](C2OCCO2)C1 ZINC001593360746 1167784488 /nfs/dbraw/zinc/78/44/88/1167784488.db2.gz DNRVCMPSNSJAIW-QMMMGPOBSA-N -1 1 321.362 0.763 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@H](C2OCCO2)C1 ZINC001593360746 1167784491 /nfs/dbraw/zinc/78/44/91/1167784491.db2.gz DNRVCMPSNSJAIW-QMMMGPOBSA-N -1 1 321.362 0.763 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC2(CC1)OCCO2 ZINC001593348517 1167784630 /nfs/dbraw/zinc/78/46/30/1167784630.db2.gz CLBIDFWUHFHMSC-UHFFFAOYSA-N -1 1 316.321 0.241 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC2(CC1)OCCO2 ZINC001593348517 1167784635 /nfs/dbraw/zinc/78/46/35/1167784635.db2.gz CLBIDFWUHFHMSC-UHFFFAOYSA-N -1 1 316.321 0.241 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC([C@@H]2CCOC2)C1 ZINC001593359060 1167785917 /nfs/dbraw/zinc/78/59/17/1167785917.db2.gz VIJLDQMVCIHRPB-SNVBAGLBSA-N -1 1 300.322 0.370 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC([C@@H]2CCOC2)C1 ZINC001593359060 1167785922 /nfs/dbraw/zinc/78/59/22/1167785922.db2.gz VIJLDQMVCIHRPB-SNVBAGLBSA-N -1 1 300.322 0.370 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H](C2OCCO2)C1 ZINC001593367002 1167787723 /nfs/dbraw/zinc/78/77/23/1167787723.db2.gz GALAWRZERRGLJB-QMMMGPOBSA-N -1 1 305.294 0.295 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H](C2OCCO2)C1 ZINC001593367002 1167787729 /nfs/dbraw/zinc/78/77/29/1167787729.db2.gz GALAWRZERRGLJB-QMMMGPOBSA-N -1 1 305.294 0.295 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@@]2(CCOC2=O)C1 ZINC001593362297 1167789107 /nfs/dbraw/zinc/78/91/07/1167789107.db2.gz KVAQJINBAJHWNP-CYBMUJFWSA-N -1 1 319.346 0.707 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@@]2(CCOC2=O)C1 ZINC001593362297 1167789114 /nfs/dbraw/zinc/78/91/14/1167789114.db2.gz KVAQJINBAJHWNP-CYBMUJFWSA-N -1 1 319.346 0.707 20 0 DCADMM O=C1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1c1ccccc1 ZINC001593377745 1167790701 /nfs/dbraw/zinc/79/07/01/1167790701.db2.gz IKBGMUIBLXMODY-LLVKDONJSA-N -1 1 322.332 0.874 20 0 DCADMM O=C1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1c1ccccc1 ZINC001593377745 1167790709 /nfs/dbraw/zinc/79/07/09/1167790709.db2.gz IKBGMUIBLXMODY-LLVKDONJSA-N -1 1 322.332 0.874 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001593370273 1167791992 /nfs/dbraw/zinc/79/19/92/1167791992.db2.gz RITUZXVYFZANCG-VQXVYSPMSA-N -1 1 309.376 0.274 20 0 DCADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCNC(=O)CC1 ZINC001593387261 1167798492 /nfs/dbraw/zinc/79/84/92/1167798492.db2.gz AEHRQQAEWAMKGT-QMMMGPOBSA-N -1 1 305.294 0.419 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCNC(=O)CC1 ZINC001593387261 1167798497 /nfs/dbraw/zinc/79/84/97/1167798497.db2.gz AEHRQQAEWAMKGT-QMMMGPOBSA-N -1 1 305.294 0.419 20 0 DCADMM O=C1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCN1 ZINC001593390340 1167801604 /nfs/dbraw/zinc/80/16/04/1167801604.db2.gz LAFSXSAEXOJGQH-VIFPVBQESA-N -1 1 314.353 0.615 20 0 DCADMM O=C1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCN1 ZINC001593390340 1167801609 /nfs/dbraw/zinc/80/16/09/1167801609.db2.gz LAFSXSAEXOJGQH-VIFPVBQESA-N -1 1 314.353 0.615 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCCCCNC(=O)CC1 ZINC001593394929 1167806313 /nfs/dbraw/zinc/80/63/13/1167806313.db2.gz DWJHPXJQUGSVBI-UHFFFAOYSA-N -1 1 318.337 0.592 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCCCCNC(=O)CC1 ZINC001593394929 1167806326 /nfs/dbraw/zinc/80/63/26/1167806326.db2.gz DWJHPXJQUGSVBI-UHFFFAOYSA-N -1 1 318.337 0.592 20 0 DCADMM O=C1CCCN1C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001593392839 1167806746 /nfs/dbraw/zinc/80/67/46/1167806746.db2.gz NUGXZLOCQGWXNJ-UHFFFAOYSA-N -1 1 314.353 0.248 20 0 DCADMM O=C1CCCN1C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001593392839 1167806755 /nfs/dbraw/zinc/80/67/55/1167806755.db2.gz NUGXZLOCQGWXNJ-UHFFFAOYSA-N -1 1 314.353 0.248 20 0 DCADMM O=C1Cc2ccccc2N1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001593402109 1167813708 /nfs/dbraw/zinc/81/37/08/1167813708.db2.gz YKTZHQUNKMRSKG-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM O=C1Cc2ccccc2N1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001593402109 1167813718 /nfs/dbraw/zinc/81/37/18/1167813718.db2.gz YKTZHQUNKMRSKG-UHFFFAOYSA-N -1 1 322.332 0.658 20 0 DCADMM O=C1NCCC[C@H]1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593408885 1167820218 /nfs/dbraw/zinc/82/02/18/1167820218.db2.gz PODDSTIBTCIGMA-ZETCQYMHSA-N -1 1 307.745 0.853 20 0 DCADMM O=C1NCCC[C@H]1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593408885 1167820228 /nfs/dbraw/zinc/82/02/28/1167820228.db2.gz PODDSTIBTCIGMA-ZETCQYMHSA-N -1 1 307.745 0.853 20 0 DCADMM O=C1NCCC[C@H]1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593409135 1167823475 /nfs/dbraw/zinc/82/34/75/1167823475.db2.gz UHKUCBCBMOIACV-VIFPVBQESA-N 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/nfs/dbraw/zinc/87/70/96/1167877096.db2.gz HRLZFPGIEKYZRI-UHFFFAOYSA-N -1 1 311.261 0.720 20 0 DCADMM O=c1c(-c2nnn[n-]2)cccn1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC001593492578 1167877686 /nfs/dbraw/zinc/87/76/86/1167877686.db2.gz KWOHLDCQFBVGGC-NEPJUHHUSA-N -1 1 316.365 0.344 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1nncn1-c1ccccc1 ZINC001593494786 1167878746 /nfs/dbraw/zinc/87/87/46/1167878746.db2.gz WSOOGIJGMQMVBG-UHFFFAOYSA-N -1 1 320.316 0.657 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1CCc1cccc(F)c1F ZINC001593495171 1167880196 /nfs/dbraw/zinc/88/01/96/1167880196.db2.gz XSRBWKBBYUIDSM-UHFFFAOYSA-N -1 1 304.260 0.944 20 0 DCADMM O[C@@H](COCc1ccco1)COc1cccnc1-c1nnn[n-]1 ZINC001593508086 1167885848 /nfs/dbraw/zinc/88/58/48/1167885848.db2.gz XZHQEYYKWFEQAX-JTQLQIEISA-N -1 1 317.305 0.811 20 0 DCADMM O[C@@H](COCc1ccco1)COc1cccnc1-c1nn[n-]n1 ZINC001593508086 1167885854 /nfs/dbraw/zinc/88/58/54/1167885854.db2.gz XZHQEYYKWFEQAX-JTQLQIEISA-N -1 1 317.305 0.811 20 0 DCADMM OC1(c2ccc(Nc3cncc(-c4nnn[n-]4)n3)cc2)COC1 ZINC001593515303 1167891090 /nfs/dbraw/zinc/89/10/90/1167891090.db2.gz YCCIRAHMHKOGHQ-UHFFFAOYSA-N -1 1 311.305 0.618 20 0 DCADMM OC1(c2ccc(Nc3cncc(-c4nn[n-]n4)n3)cc2)COC1 ZINC001593515303 1167891099 /nfs/dbraw/zinc/89/10/99/1167891099.db2.gz YCCIRAHMHKOGHQ-UHFFFAOYSA-N -1 1 311.305 0.618 20 0 DCADMM OC1(Cc2cn(Cc3ccnc(-c4nnn[n-]4)c3)nn2)CCC1 ZINC001593517248 1167891829 /nfs/dbraw/zinc/89/18/29/1167891829.db2.gz YWJDNJIXZGFACS-UHFFFAOYSA-N -1 1 312.337 0.359 20 0 DCADMM OC1(Cc2cn(Cc3ccnc(-c4nn[n-]n4)c3)nn2)CCC1 ZINC001593517248 1167891835 /nfs/dbraw/zinc/89/18/35/1167891835.db2.gz YWJDNJIXZGFACS-UHFFFAOYSA-N -1 1 312.337 0.359 20 0 DCADMM OC[C@H](Cc1cncs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001593521531 1167894571 /nfs/dbraw/zinc/89/45/71/1167894571.db2.gz WLUHEUAJXPDMFX-ZETCQYMHSA-N -1 1 304.339 0.129 20 0 DCADMM OC[C@H](Cc1cncs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001593521531 1167894573 /nfs/dbraw/zinc/89/45/73/1167894573.db2.gz WLUHEUAJXPDMFX-ZETCQYMHSA-N -1 1 304.339 0.129 20 0 DCADMM OC[C@@H](CC(F)F)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593522024 1167896918 /nfs/dbraw/zinc/89/69/18/1167896918.db2.gz PINQPXPTFGQJQK-SSDOTTSWSA-N -1 1 311.296 0.962 20 0 DCADMM OC[C@@H](CC(F)F)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593522024 1167896925 /nfs/dbraw/zinc/89/69/25/1167896925.db2.gz PINQPXPTFGQJQK-SSDOTTSWSA-N -1 1 311.296 0.962 20 0 DCADMM OCC1(c2ccccc2)CN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001593523473 1167900242 /nfs/dbraw/zinc/90/02/42/1167900242.db2.gz NVVGBNNXRJKWMD-UHFFFAOYSA-N -1 1 309.333 0.407 20 0 DCADMM OCC1(c2ccccc2)CN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001593523473 1167900252 /nfs/dbraw/zinc/90/02/52/1167900252.db2.gz NVVGBNNXRJKWMD-UHFFFAOYSA-N -1 1 309.333 0.407 20 0 DCADMM OCC1(CO)CC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001593524523 1167901865 /nfs/dbraw/zinc/90/18/65/1167901865.db2.gz VUJDKMQTBLYVKA-UHFFFAOYSA-N -1 1 316.774 0.522 20 0 DCADMM OCC1(CO)CC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001593524523 1167901872 /nfs/dbraw/zinc/90/18/72/1167901872.db2.gz VUJDKMQTBLYVKA-UHFFFAOYSA-N -1 1 316.774 0.522 20 0 DCADMM OCCN(CC1CC1)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593531373 1167906410 /nfs/dbraw/zinc/90/64/10/1167906410.db2.gz LWVCKNQZOGSOHY-UHFFFAOYSA-N -1 1 301.354 0.743 20 0 DCADMM OCCN(CC1CC1)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593531373 1167906417 /nfs/dbraw/zinc/90/64/17/1167906417.db2.gz LWVCKNQZOGSOHY-UHFFFAOYSA-N -1 1 301.354 0.743 20 0 DCADMM OC[C@@H](Cc1ccc(O)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001593532167 1167911808 /nfs/dbraw/zinc/91/18/08/1167911808.db2.gz ZJKPPMOBBFPIJX-SNVBAGLBSA-N -1 1 313.321 0.378 20 0 DCADMM OC[C@@H](Cc1ccc(O)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001593532167 1167911815 /nfs/dbraw/zinc/91/18/15/1167911815.db2.gz ZJKPPMOBBFPIJX-SNVBAGLBSA-N -1 1 313.321 0.378 20 0 DCADMM O[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H]1Oc1ccccc1 ZINC001593537351 1167915557 /nfs/dbraw/zinc/91/55/57/1167915557.db2.gz JHFAWKPLYMVRLV-ZIAGYGMSSA-N -1 1 324.344 0.890 20 0 DCADMM O[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H]1Oc1ccccc1 ZINC001593537351 1167915571 /nfs/dbraw/zinc/91/55/71/1167915571.db2.gz JHFAWKPLYMVRLV-ZIAGYGMSSA-N -1 1 324.344 0.890 20 0 DCADMM Oc1cccc(N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001593540204 1167921899 /nfs/dbraw/zinc/92/18/99/1167921899.db2.gz RHFFPZNKVIQJON-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Oc1cccc(N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001593540204 1167921906 /nfs/dbraw/zinc/92/19/06/1167921906.db2.gz RHFFPZNKVIQJON-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM O[C@@H]1CCOC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001593537651 1167922323 /nfs/dbraw/zinc/92/23/23/1167922323.db2.gz UZDDBLKSQYIFBP-ZIAGYGMSSA-N -1 1 312.333 0.399 20 0 DCADMM O[C@@H]1CCOC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001593537651 1167922331 /nfs/dbraw/zinc/92/23/31/1167922331.db2.gz UZDDBLKSQYIFBP-ZIAGYGMSSA-N -1 1 312.333 0.399 20 0 DCADMM c1cc(CN2CCO[C@@H]([C@H]3CCCO3)C2)nc(-c2nn[n-]n2)c1 ZINC001593555088 1167931095 /nfs/dbraw/zinc/93/10/95/1167931095.db2.gz HEDSDISFGCNGCP-ZIAGYGMSSA-N -1 1 316.365 0.642 20 0 DCADMM c1cc(N[C@H]2CCO[C@@]3(CCSC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593558712 1167937139 /nfs/dbraw/zinc/93/71/39/1167937139.db2.gz PJCAUHUSAZBWRW-ZANVPECISA-N -1 1 319.394 0.545 20 0 DCADMM c1cn(Cc2ccc(-c3nnn[n-]3)o2)c(CN2CCOCC2)n1 ZINC001593583237 1167949085 /nfs/dbraw/zinc/94/90/85/1167949085.db2.gz SIRCGYQLCQYZLU-UHFFFAOYSA-N -1 1 315.337 0.537 20 0 DCADMM c1cn(Cc2ccc(-c3nn[n-]n3)o2)c(CN2CCOCC2)n1 ZINC001593583237 1167949089 /nfs/dbraw/zinc/94/90/89/1167949089.db2.gz SIRCGYQLCQYZLU-UHFFFAOYSA-N -1 1 315.337 0.537 20 0 DCADMM c1nc(-c2nn[n-]n2)nn1C[C@H]1CCC2(CCOCC2)CO1 ZINC001593590095 1167951197 /nfs/dbraw/zinc/95/11/97/1167951197.db2.gz FVXWYUWDDUYQEK-SNVBAGLBSA-N -1 1 305.342 0.434 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCOC[C@H]2[C@@H]2CCCO2)n1 ZINC001593590498 1167954157 /nfs/dbraw/zinc/95/41/57/1167954157.db2.gz VODRRSKWVZWODC-QWRGUYRKSA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCOC[C@H]2[C@@H]2CCCO2)n1 ZINC001593590498 1167954186 /nfs/dbraw/zinc/95/41/86/1167954186.db2.gz VODRRSKWVZWODC-QWRGUYRKSA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(C2CC2)nc2c1CN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001593590699 1167954796 /nfs/dbraw/zinc/95/47/96/1167954796.db2.gz CIOKTEDRWROUBK-UHFFFAOYSA-N -1 1 321.348 0.887 20 0 DCADMM c1nc(C2CC2)nc2c1CN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001593590699 1167954799 /nfs/dbraw/zinc/95/47/99/1167954799.db2.gz CIOKTEDRWROUBK-UHFFFAOYSA-N -1 1 321.348 0.887 20 0 DCADMM CCCN(CCC(=O)N(C)CC(=O)[O-])[C@@H](C)C(=O)OCC ZINC001595872409 1167980212 /nfs/dbraw/zinc/98/02/12/1167980212.db2.gz BILCPZCQWZSUIQ-NSHDSACASA-N -1 1 302.371 0.583 20 0 DCADMM O=C(c1ccc2nncn2c1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001595949081 1167984770 /nfs/dbraw/zinc/98/47/70/1167984770.db2.gz ZFXDIMFNGHQASP-JTQLQIEISA-N -1 1 312.337 0.337 20 0 DCADMM COC(=O)CCCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001597335335 1168005950 /nfs/dbraw/zinc/00/59/50/1168005950.db2.gz DQXDUVCKYRIQEY-UHFFFAOYSA-N -1 1 316.335 0.321 20 0 DCADMM COC(=O)CC[C@H](C(=O)[O-])N1CCN(c2nccnc2C)CC1 ZINC001598849107 1168044142 /nfs/dbraw/zinc/04/41/42/1168044142.db2.gz UEHQIHHUHRIASO-GFCCVEGCSA-N -1 1 322.365 0.313 20 0 DCADMM Cc1c(C(=O)[O-])cc(CNC(=O)[C@@H](C)CN2CCOCC2)n1C ZINC001599988056 1168076874 /nfs/dbraw/zinc/07/68/74/1168076874.db2.gz FPMXPKPACKFMSF-NSHDSACASA-N -1 1 323.393 0.616 20 0 DCADMM Cc1cc(C(=O)[O-])cc(C(=O)N2CC(N3CCN(C)CC3)C2)c1 ZINC001600107380 1168120035 /nfs/dbraw/zinc/12/00/35/1168120035.db2.gz PVNMDEKWOCFJIB-UHFFFAOYSA-N -1 1 317.389 0.765 20 0 DCADMM Cc1cc(C[C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)n[nH]1 ZINC001600189107 1168133818 /nfs/dbraw/zinc/13/38/18/1168133818.db2.gz KJAGNPCHWVRZPD-SSDOTTSWSA-N -1 1 313.339 0.049 20 0 DCADMM Cc1cc(NC(=O)C(=O)N2CCCN(C)CC2)ccc1C(=O)[O-] ZINC001600244048 1168145708 /nfs/dbraw/zinc/14/57/08/1168145708.db2.gz PLLULGRDKYSANR-UHFFFAOYSA-N -1 1 319.361 0.796 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001600351419 1168172553 /nfs/dbraw/zinc/17/25/53/1168172553.db2.gz WMHJAFHYKYJXLL-ZYHUDNBSSA-N -1 1 319.361 0.841 20 0 DCADMM Cc1ccccc1CCNC(=O)CN1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600579684 1168202492 /nfs/dbraw/zinc/20/24/92/1168202492.db2.gz IXHKWZRGCPTIPF-HUUCEWRRSA-N -1 1 320.389 0.421 20 0 DCADMM Cc1n[nH]c(C(C)C)c1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001600667037 1168237514 /nfs/dbraw/zinc/23/75/14/1168237514.db2.gz OWEGDBARHMIBHW-UHFFFAOYSA-N -1 1 318.337 0.828 20 0 DCADMM Cc1ncc(CNC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])s1 ZINC001600737263 1168269827 /nfs/dbraw/zinc/26/98/27/1168269827.db2.gz OMFUQIGWVTUCEA-FQVTYBBZSA-N -1 1 309.391 0.934 20 0 DCADMM Cc1nccc(CCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)n1 ZINC001600748938 1168274747 /nfs/dbraw/zinc/27/47/47/1168274747.db2.gz OBHSGUCGHJICMC-LBPRGKRZSA-N -1 1 320.393 0.725 20 0 DCADMM Cc1nn(-c2ccncc2)cc1CN1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001600765368 1168281932 /nfs/dbraw/zinc/28/19/32/1168281932.db2.gz HHDFFBODMHCPML-LSDHHAIUSA-N -1 1 316.361 0.986 20 0 DCADMM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001601001261 1168555957 /nfs/dbraw/zinc/55/59/57/1168555957.db2.gz YTNXJAHYXODZQH-JQWIXIFHSA-N -1 1 306.366 0.865 20 0 DCADMM Cn1ncc(Br)c1CN[C@@]1(CC(=O)[O-])CCOC1 ZINC001601019772 1168566780 /nfs/dbraw/zinc/56/67/80/1168566780.db2.gz QCWLTAWMQMRISZ-LLVKDONJSA-N -1 1 318.171 0.906 20 0 DCADMM NC(=O)[C@H](NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccc(F)cc1 ZINC001601138644 1168596338 /nfs/dbraw/zinc/59/63/38/1168596338.db2.gz FCBIEUJPHUWFSL-LPEHRKFASA-N -1 1 302.252 0.908 20 0 DCADMM NC(=O)[C@H]1CC[C@@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)O1 ZINC001601159904 1168612961 /nfs/dbraw/zinc/61/29/61/1168612961.db2.gz PINNNOSABSEUIT-BDAKNGLRSA-N -1 1 318.289 0.233 20 0 DCADMM NCC(=O)NCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001601181744 1168628427 /nfs/dbraw/zinc/62/84/27/1168628427.db2.gz KJDMSNHDQZANLB-JTQLQIEISA-N -1 1 313.741 0.047 20 0 DCADMM NCc1nc2c(s1)CCN(C(=O)c1cccc(C(=O)[O-])n1)C2 ZINC001601192044 1168647876 /nfs/dbraw/zinc/64/78/76/1168647876.db2.gz LHRWJGPVQOKYNQ-UHFFFAOYSA-N -1 1 318.358 0.894 20 0 DCADMM O=C([O-])[C@@]1(N2CCN(C(=O)CC(F)(F)F)CC2)CCOC1 ZINC001601242278 1168674840 /nfs/dbraw/zinc/67/48/40/1168674840.db2.gz HYSAPXXFMHHKJU-LLVKDONJSA-N -1 1 310.272 0.327 20 0 DCADMM O=C(CCCc1nn[nH]n1)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001601272293 1168684728 /nfs/dbraw/zinc/68/47/28/1168684728.db2.gz SAPFYMNGJCXLLQ-LLVKDONJSA-N -1 1 309.370 0.920 20 0 DCADMM O=C([O-])[C@]1(N2CCN(C(=O)CCn3cccc3)CC2)CCOC1 ZINC001601299337 1168694065 /nfs/dbraw/zinc/69/40/65/1168694065.db2.gz CTUJAATZXQGGJT-INIZCTEOSA-N -1 1 321.377 0.266 20 0 DCADMM O=C(CN1CC[C@]2(CCOC2=O)C1)NC1(C(=O)[O-])CCCCC1 ZINC001601307850 1168700325 /nfs/dbraw/zinc/70/03/25/1168700325.db2.gz FYUCESCOBLNVBA-HNNXBMFYSA-N -1 1 324.377 0.529 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)COCc1ccncc1 ZINC001601339318 1168713730 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/nfs/dbraw/zinc/41/76/82/1169417682.db2.gz VWWYBPFICQNQIZ-JAFKPYBISA-N -1 1 314.353 0.397 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001603865696 1169417685 /nfs/dbraw/zinc/41/76/85/1169417685.db2.gz VWWYBPFICQNQIZ-JAFKPYBISA-N -1 1 314.353 0.397 20 0 DCADMM C[C@H]1CC[C@H](CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001603876230 1169418678 /nfs/dbraw/zinc/41/86/78/1169418678.db2.gz FMGCMTBQJYQIIB-UWVGGRQHSA-N -1 1 319.373 0.194 20 0 DCADMM C[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603878597 1169421510 /nfs/dbraw/zinc/42/15/10/1169421510.db2.gz VGJWDKCDXXFTPP-VHSXEESVSA-N -1 1 322.394 0.976 20 0 DCADMM C[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603878597 1169421515 /nfs/dbraw/zinc/42/15/15/1169421515.db2.gz VGJWDKCDXXFTPP-VHSXEESVSA-N -1 1 322.394 0.976 20 0 DCADMM C[C@@H]1CCCC[C@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001603890121 1169422744 /nfs/dbraw/zinc/42/27/44/1169422744.db2.gz BBTKTZMYWUEDPT-BDAKNGLRSA-N -1 1 319.369 0.904 20 0 DCADMM CC(C)NC(=O)NC(=O)[C@H](C)N1CCSC[C@H](C(=O)[O-])C1 ZINC001603899646 1169425043 /nfs/dbraw/zinc/42/50/43/1169425043.db2.gz HUOHYNQQWIFLQN-VHSXEESVSA-N -1 1 317.411 0.359 20 0 DCADMM C[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC[S@]1=O ZINC001603903544 1169426785 /nfs/dbraw/zinc/42/67/85/1169426785.db2.gz PCYPWLHELUCCRJ-GTUYJWLHSA-N -1 1 320.378 0.245 20 0 DCADMM C[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC[S@]1=O ZINC001603903544 1169426793 /nfs/dbraw/zinc/42/67/93/1169426793.db2.gz PCYPWLHELUCCRJ-GTUYJWLHSA-N -1 1 320.378 0.245 20 0 DCADMM C[C@H]1CN(CCOC(=O)c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001603938868 1169442898 /nfs/dbraw/zinc/44/28/98/1169442898.db2.gz YHGBGECLIVLQGK-JTQLQIEISA-N -1 1 318.337 0.139 20 0 DCADMM C[C@H]1CN(CCOC(=O)c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001603938868 1169442904 /nfs/dbraw/zinc/44/29/04/1169442904.db2.gz YHGBGECLIVLQGK-JTQLQIEISA-N -1 1 318.337 0.139 20 0 DCADMM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1cccc(-c2nn[n-]n2)n1 ZINC001603953830 1169450417 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CCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001603974715 1169461433 /nfs/dbraw/zinc/46/14/33/1169461433.db2.gz WZUMHPOCRPYSTH-SECBINFHSA-N -1 1 302.342 0.070 20 0 DCADMM CC[C@@H](C)[C@H](O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604000840 1169467417 /nfs/dbraw/zinc/46/74/17/1169467417.db2.gz RZBNZWJTGIRJHM-BXKDBHETSA-N -1 1 304.354 0.327 20 0 DCADMM CC[C@@H](C)[C@H](O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604000840 1169467421 /nfs/dbraw/zinc/46/74/21/1169467421.db2.gz RZBNZWJTGIRJHM-BXKDBHETSA-N -1 1 304.354 0.327 20 0 DCADMM CC[C@@H](C)C[C@H](CO)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604000925 1169468516 /nfs/dbraw/zinc/46/85/16/1169468516.db2.gz PPQKTJGRFZSYPQ-MWLCHTKSSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@@H](C)C[C@H](CO)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604000925 1169468520 /nfs/dbraw/zinc/46/85/20/1169468520.db2.gz PPQKTJGRFZSYPQ-MWLCHTKSSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604007848 1169470243 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CC[C@H](CO)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001604039182 1169476894 /nfs/dbraw/zinc/47/68/94/1169476894.db2.gz FGMPFJWTJRRGRC-MRVPVSSYSA-N -1 1 311.292 0.780 20 0 DCADMM CC[C@@H](F)C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001604044560 1169479156 /nfs/dbraw/zinc/47/91/56/1169479156.db2.gz GADNOJZZZMVCIQ-ZBJFTSOASA-N -1 1 320.332 0.489 20 0 DCADMM CC[C@@H](F)C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001604044560 1169479161 /nfs/dbraw/zinc/47/91/61/1169479161.db2.gz GADNOJZZZMVCIQ-ZBJFTSOASA-N -1 1 320.332 0.489 20 0 DCADMM CCC(O)(CC)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001604065937 1169484115 /nfs/dbraw/zinc/48/41/15/1169484115.db2.gz DUXYIIJXNLMOQN-UHFFFAOYSA-N -1 1 320.353 0.557 20 0 DCADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@@H](O)C(F)(F)F ZINC001604063262 1169484177 /nfs/dbraw/zinc/48/41/77/1169484177.db2.gz CXMSSYKLZPTMMZ-SVGQVSJJSA-N -1 1 303.248 0.770 20 0 DCADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@@H](O)C(F)(F)F ZINC001604063262 1169484178 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1170003898 /nfs/dbraw/zinc/00/38/98/1170003898.db2.gz LWMCHCGTAFDFMA-CHWSQXEVSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2C[C@H](C)O[C@@]3(CCOC3)C2)c(-c2nnn[n-]2)n1 ZINC001605864435 1170016282 /nfs/dbraw/zinc/01/62/82/1170016282.db2.gz DBYUOYSEPMMXCP-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2C[C@H](C)O[C@@]3(CCOC3)C2)c(-c2nn[n-]n2)n1 ZINC001605864435 1170016289 /nfs/dbraw/zinc/01/62/89/1170016289.db2.gz DBYUOYSEPMMXCP-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(NCCC2CS(=O)(=O)C2)nc1-c1nnn[n-]1 ZINC001605873181 1170017837 /nfs/dbraw/zinc/01/78/37/1170017837.db2.gz DHVICLQSRJQOGJ-UHFFFAOYSA-N -1 1 308.367 0.417 20 0 DCADMM Cc1ccc(NCCC2CS(=O)(=O)C2)nc1-c1nn[n-]n1 ZINC001605873181 1170017845 /nfs/dbraw/zinc/01/78/45/1170017845.db2.gz DHVICLQSRJQOGJ-UHFFFAOYSA-N -1 1 308.367 0.417 20 0 DCADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCCc1nc[nH]n1 ZINC001605886794 1170023692 /nfs/dbraw/zinc/02/36/92/1170023692.db2.gz NCPKEEYGUJGQHX-UHFFFAOYSA-N -1 1 314.323 0.179 20 0 DCADMM Cc1ccn(CN2CCC3(COC3)C2)c(=O)c1-c1nn[n-]n1 ZINC001605948788 1170031468 /nfs/dbraw/zinc/03/14/68/1170031468.db2.gz GXTSOTDOXMZZHK-UHFFFAOYSA-N -1 1 302.338 0.017 20 0 DCADMM Cc1ccn(CN(C)C[C@@H]2CCCOC2)c(=O)c1-c1nn[n-]n1 ZINC001605949563 1170032836 /nfs/dbraw/zinc/03/28/36/1170032836.db2.gz RREIRTNIINOEJT-LBPRGKRZSA-N -1 1 318.381 0.653 20 0 DCADMM Cc1n[nH]cc1CNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001606014183 1170049495 /nfs/dbraw/zinc/04/94/95/1170049495.db2.gz HQAJOYRAUZPNRR-UHFFFAOYSA-N -1 1 319.354 0.985 20 0 DCADMM CN(C)C1(CNS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001606013073 1170049876 /nfs/dbraw/zinc/04/98/76/1170049876.db2.gz XNWKNWMIUGXMAB-MNOVXSKESA-N -1 1 304.412 0.643 20 0 DCADMM Cc1[nH]nc(NC(=O)CN2CCc3ccccc32)c1-c1nn[n-]n1 ZINC001606013527 1170050047 /nfs/dbraw/zinc/05/00/47/1170050047.db2.gz SWJCBLIHOGMOQD-UHFFFAOYSA-N -1 1 324.348 0.899 20 0 DCADMM Cc1nc(C)c(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)o1 ZINC001606038878 1170061795 /nfs/dbraw/zinc/06/17/95/1170061795.db2.gz OSZLVKCIRAXBPF-UHFFFAOYSA-N -1 1 313.321 0.725 20 0 DCADMM Cc1nc(C)c(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)o1 ZINC001606038878 1170061798 /nfs/dbraw/zinc/06/17/98/1170061798.db2.gz OSZLVKCIRAXBPF-UHFFFAOYSA-N -1 1 313.321 0.725 20 0 DCADMM Cc1nc(N[C@@H]2CC[C@@H]([S@@](C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001606063449 1170067002 /nfs/dbraw/zinc/06/70/02/1170067002.db2.gz PFLYPEWXZIIXOY-VRNWYBPDSA-N -1 1 307.383 0.677 20 0 DCADMM Cc1nc(N[C@@H]2CC[C@@H]([S@@](C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001606063449 1170067008 /nfs/dbraw/zinc/06/70/08/1170067008.db2.gz PFLYPEWXZIIXOY-VRNWYBPDSA-N -1 1 307.383 0.677 20 0 DCADMM Cc1nc2ccccc2n1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001606083095 1170071896 /nfs/dbraw/zinc/07/18/96/1170071896.db2.gz MCHXKYVMADVHSR-UHFFFAOYSA-N -1 1 321.348 0.849 20 0 DCADMM Cc1nccnc1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606099227 1170075784 /nfs/dbraw/zinc/07/57/84/1170075784.db2.gz ZMTWMMMSFYUBMC-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nccnc1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606099227 1170075790 /nfs/dbraw/zinc/07/57/90/1170075790.db2.gz ZMTWMMMSFYUBMC-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nn(C(C)C)cc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001606105041 1170077899 /nfs/dbraw/zinc/07/78/99/1170077899.db2.gz LYVWFUHXNLEMOG-UHFFFAOYSA-N -1 1 301.314 0.420 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1-c1nnn[n-]1 ZINC001606112708 1170079150 /nfs/dbraw/zinc/07/91/50/1170079150.db2.gz NXGVKBRMVDANTL-HLTSFMKQSA-N -1 1 303.326 0.415 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1-c1nn[n-]n1 ZINC001606112708 1170079156 /nfs/dbraw/zinc/07/91/56/1170079156.db2.gz NXGVKBRMVDANTL-HLTSFMKQSA-N -1 1 303.326 0.415 20 0 DCADMM Cc1nn(C)cc1CCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606114198 1170079948 /nfs/dbraw/zinc/07/99/48/1170079948.db2.gz URQBTHYYYPLBHD-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1nn(C)cc1CCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606114198 1170079953 /nfs/dbraw/zinc/07/99/53/1170079953.db2.gz URQBTHYYYPLBHD-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1noc(C2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001606132488 1170089903 /nfs/dbraw/zinc/08/99/03/1170089903.db2.gz UNYKTJIVNCWYBW-UHFFFAOYSA-N -1 1 312.293 0.193 20 0 DCADMM Cc1noc(C2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001606132488 1170089911 /nfs/dbraw/zinc/08/99/11/1170089911.db2.gz UNYKTJIVNCWYBW-UHFFFAOYSA-N -1 1 312.293 0.193 20 0 DCADMM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)CCc1cnc[nH]1 ZINC001606133652 1170090754 /nfs/dbraw/zinc/09/07/54/1170090754.db2.gz YCLWNEZFQBJRPX-UHFFFAOYSA-N -1 1 318.337 0.401 20 0 DCADMM Cc1nsc(NC(=O)NCCC2(CO)CC2)c1-c1nnn[n-]1 ZINC001606152112 1170095761 /nfs/dbraw/zinc/09/57/61/1170095761.db2.gz OZHDKEZKJUFCGP-UHFFFAOYSA-N -1 1 323.382 0.916 20 0 DCADMM Cc1nsc(NC(=O)NCCC2(CO)CC2)c1-c1nn[n-]n1 ZINC001606152112 1170095767 /nfs/dbraw/zinc/09/57/67/1170095767.db2.gz OZHDKEZKJUFCGP-UHFFFAOYSA-N -1 1 323.382 0.916 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@H]1C(N)=O ZINC001606165911 1170098757 /nfs/dbraw/zinc/09/87/57/1170098757.db2.gz LUNJGSAQQIHPTG-VIFPVBQESA-N -1 1 304.310 0.248 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@H]1C(N)=O ZINC001606165911 1170098764 /nfs/dbraw/zinc/09/87/64/1170098764.db2.gz LUNJGSAQQIHPTG-VIFPVBQESA-N -1 1 304.310 0.248 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)[C@@](C)(CO)C2)c1-c1nnn[n-]1 ZINC001606178226 1170104163 /nfs/dbraw/zinc/10/41/63/1170104163.db2.gz CLMJOTYHEWXQNQ-RMLUDKJBSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2C[C@H](C)[C@@](C)(CO)C2)c1-c1nn[n-]n1 ZINC001606178226 1170104165 /nfs/dbraw/zinc/10/41/65/1170104165.db2.gz CLMJOTYHEWXQNQ-RMLUDKJBSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](O)CC(C)(C)C2)c1-c1nnn[n-]1 ZINC001606178281 1170104864 /nfs/dbraw/zinc/10/48/64/1170104864.db2.gz GSCBZYMNKGJUQL-VIFPVBQESA-N -1 1 320.353 0.325 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](O)CC(C)(C)C2)c1-c1nn[n-]n1 ZINC001606178281 1170104868 /nfs/dbraw/zinc/10/48/68/1170104868.db2.gz GSCBZYMNKGJUQL-VIFPVBQESA-N -1 1 320.353 0.325 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@@H](C3CC3)C2)n1 ZINC001606223220 1170121546 /nfs/dbraw/zinc/12/15/46/1170121546.db2.gz JIFUABZFOQCMRV-SNVBAGLBSA-N -1 1 318.341 0.243 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@@H](C3CC3)C2)n1 ZINC001606223220 1170121552 /nfs/dbraw/zinc/12/15/52/1170121552.db2.gz JIFUABZFOQCMRV-SNVBAGLBSA-N -1 1 318.341 0.243 20 0 DCADMM Cn1cc(-c2noc(Cc3ccc(-c4nnn[n-]4)nc3)n2)nn1 ZINC001606227480 1170124860 /nfs/dbraw/zinc/12/48/60/1170124860.db2.gz KTIPZOSXOKZUTN-UHFFFAOYSA-N -1 1 310.281 0.031 20 0 DCADMM Cn1cc(-c2noc(Cc3ccc(-c4nn[n-]n4)nc3)n2)nn1 ZINC001606227480 1170124864 /nfs/dbraw/zinc/12/48/64/1170124864.db2.gz KTIPZOSXOKZUTN-UHFFFAOYSA-N -1 1 310.281 0.031 20 0 DCADMM CN(C)c1cc[nH+]cc1C(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001606236284 1170130675 /nfs/dbraw/zinc/13/06/75/1170130675.db2.gz VYPXTUCNRPUSQL-NSHDSACASA-N -1 1 306.366 0.236 20 0 DCADMM CN1CCN(S(=O)(=O)CC2CCCCC2)C[C@@H](C(=O)[O-])C1 ZINC001606244996 1170133934 /nfs/dbraw/zinc/13/39/34/1170133934.db2.gz NVWFHHUMZKQSNV-ZDUSSCGKSA-N -1 1 318.439 0.845 20 0 DCADMM CNC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC001606262409 1170139204 /nfs/dbraw/zinc/13/92/04/1170139204.db2.gz XTSAHWOCQSEVTN-LLVKDONJSA-N -1 1 305.334 0.391 20 0 DCADMM CNC(=O)Cc1noc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])n1 ZINC001606277955 1170145692 /nfs/dbraw/zinc/14/56/92/1170145692.db2.gz WCQFBUPZFVGVAX-RVBZMBCESA-N -1 1 308.338 0.043 20 0 DCADMM CNS(=O)(=O)CCN(C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001606302225 1170155536 /nfs/dbraw/zinc/15/55/36/1170155536.db2.gz DOEBXTBTOAUKPU-LBPRGKRZSA-N -1 1 316.379 0.302 20 0 DCADMM NC(=O)[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC001606402552 1170185171 /nfs/dbraw/zinc/18/51/71/1170185171.db2.gz XCIJYZPGHIOTJR-LLVKDONJSA-N -1 1 314.284 0.434 20 0 DCADMM NC(=O)[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC001606402552 1170185175 /nfs/dbraw/zinc/18/51/75/1170185175.db2.gz XCIJYZPGHIOTJR-LLVKDONJSA-N -1 1 314.284 0.434 20 0 DCADMM NC(=O)CCc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC001606416006 1170192452 /nfs/dbraw/zinc/19/24/52/1170192452.db2.gz QXGDPBBINZYYFT-UHFFFAOYSA-N -1 1 310.321 0.818 20 0 DCADMM NC(=O)CCc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC001606416006 1170192453 /nfs/dbraw/zinc/19/24/53/1170192453.db2.gz QXGDPBBINZYYFT-UHFFFAOYSA-N -1 1 310.321 0.818 20 0 DCADMM COC(=O)[C@H]1CN(Cc2cc(C(=O)[O-])c(C)[nH]2)C[C@H]1C(=O)OC ZINC001606428894 1170197155 /nfs/dbraw/zinc/19/71/55/1170197155.db2.gz HIQJFCBFVXAMNI-TXEJJXNPSA-N -1 1 324.333 0.415 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001606444934 1170204406 /nfs/dbraw/zinc/20/44/06/1170204406.db2.gz IAYLWIBBCUGAKC-SCZZXKLOSA-N -1 1 303.326 0.633 20 0 DCADMM COC(=O)CCN1CCN(c2ncc(C(=O)[O-])cn2)[C@@H](C)C1 ZINC001606454599 1170209482 /nfs/dbraw/zinc/20/94/82/1170209482.db2.gz CFPQBJVDBHUJST-JTQLQIEISA-N -1 1 308.338 0.248 20 0 DCADMM O=C(CCc1cncnc1)OCc1cccnc1-c1nnn[n-]1 ZINC001606535660 1170229290 /nfs/dbraw/zinc/22/92/90/1170229290.db2.gz FCUILMOBRPIQIU-UHFFFAOYSA-N -1 1 311.305 0.728 20 0 DCADMM O=C(CCc1cncnc1)OCc1cccnc1-c1nn[n-]n1 ZINC001606535660 1170229293 /nfs/dbraw/zinc/22/92/93/1170229293.db2.gz FCUILMOBRPIQIU-UHFFFAOYSA-N -1 1 311.305 0.728 20 0 DCADMM COC(=O)c1cc(CN2CCN(C)C[C@@H]2CO)cc(C(=O)[O-])c1 ZINC001606541692 1170231141 /nfs/dbraw/zinc/23/11/41/1170231141.db2.gz IEOXTNMNAQYWAP-CQSZACIVSA-N -1 1 322.361 0.280 20 0 DCADMM O=C(CNC(=O)c1csc(-c2nn[n-]n2)c1)NCC(F)F ZINC001606552701 1170232573 /nfs/dbraw/zinc/23/25/73/1170232573.db2.gz UYVXJTYWOHCASB-UHFFFAOYSA-N -1 1 316.293 0.039 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](C(F)F)C1 ZINC001606594138 1170239414 /nfs/dbraw/zinc/23/94/14/1170239414.db2.gz DZSBFDVOAPBGGQ-JTQLQIEISA-N -1 1 324.291 0.297 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](C(F)F)C1 ZINC001606594138 1170239417 /nfs/dbraw/zinc/23/94/17/1170239417.db2.gz DZSBFDVOAPBGGQ-JTQLQIEISA-N -1 1 324.291 0.297 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC(CC(F)F)C1 ZINC001606595539 1170240287 /nfs/dbraw/zinc/24/02/87/1170240287.db2.gz YSUUTTXOZQNLSE-UHFFFAOYSA-N -1 1 308.292 0.918 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC(CC(F)F)C1 ZINC001606595539 1170240290 /nfs/dbraw/zinc/24/02/90/1170240290.db2.gz YSUUTTXOZQNLSE-UHFFFAOYSA-N -1 1 308.292 0.918 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)Nc1ccccc1Cl ZINC001606616987 1170243257 /nfs/dbraw/zinc/24/32/57/1170243257.db2.gz AELDXFKJJJDPGO-UHFFFAOYSA-N -1 1 304.701 0.750 20 0 DCADMM O=C(N[C@@H](CO)CC1CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606635752 1170249038 /nfs/dbraw/zinc/24/90/38/1170249038.db2.gz XGUKNEHCIOKOTF-SNVBAGLBSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H](CO)CC1CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606635752 1170249043 /nfs/dbraw/zinc/24/90/43/1170249043.db2.gz XGUKNEHCIOKOTF-SNVBAGLBSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H](CO)[C@H]1CCCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001606635129 1170249110 /nfs/dbraw/zinc/24/91/10/1170249110.db2.gz JBIMGWPMLGZSGG-WPRPVWTQSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(N[C@H](CO)c1ccsc1)c1ccc(-c2nnn[n-]2)o1 ZINC001606635523 1170249936 /nfs/dbraw/zinc/24/99/36/1170249936.db2.gz SBLAYXIOCXXINQ-MRVPVSSYSA-N -1 1 305.319 0.985 20 0 DCADMM O=C(N[C@H](CO)c1ccsc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606635523 1170249942 /nfs/dbraw/zinc/24/99/42/1170249942.db2.gz SBLAYXIOCXXINQ-MRVPVSSYSA-N -1 1 305.319 0.985 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1coc(-c2nnn[n-]2)c1 ZINC001606635671 1170250240 /nfs/dbraw/zinc/25/02/40/1170250240.db2.gz UJNKLKDCPISILZ-JTQLQIEISA-N -1 1 300.278 0.318 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1coc(-c2nn[n-]n2)c1 ZINC001606635671 1170250246 /nfs/dbraw/zinc/25/02/46/1170250246.db2.gz UJNKLKDCPISILZ-JTQLQIEISA-N -1 1 300.278 0.318 20 0 DCADMM O=C(N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(-c2nnn[n-]2)nc1 ZINC001606648478 1170251440 /nfs/dbraw/zinc/25/14/40/1170251440.db2.gz UTXMYKXCNQXWQS-STXZSOOUSA-N -1 1 312.333 0.415 20 0 DCADMM O=C(N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(-c2nn[n-]n2)nc1 ZINC001606648478 1170251441 /nfs/dbraw/zinc/25/14/41/1170251441.db2.gz UTXMYKXCNQXWQS-STXZSOOUSA-N -1 1 312.333 0.415 20 0 DCADMM CO[C@@H]1CN(C(=O)[C@H](N)Cc2ccccn2)[C@@](C)(C(=O)[O-])C1 ZINC001606765696 1170281785 /nfs/dbraw/zinc/28/17/85/1170281785.db2.gz UDYMPYPQHVCTKG-YWPYICTPSA-N -1 1 307.350 0.042 20 0 DCADMM O=C(NCCOC[C@@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001606787493 1170289346 /nfs/dbraw/zinc/28/93/46/1170289346.db2.gz ZWDUYUNGHPMSDM-JTQLQIEISA-N -1 1 307.310 0.385 20 0 DCADMM O=C(NCCOC[C@@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001606787493 1170289350 /nfs/dbraw/zinc/28/93/50/1170289350.db2.gz ZWDUYUNGHPMSDM-JTQLQIEISA-N -1 1 307.310 0.385 20 0 DCADMM O=C(NCCO[C@H]1CCCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001606787007 1170289703 /nfs/dbraw/zinc/28/97/03/1170289703.db2.gz NLZMVIJPJOHQJD-NSHDSACASA-N -1 1 307.310 0.733 20 0 DCADMM O=C(NCCO[C@H]1CCCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001606787007 1170289707 /nfs/dbraw/zinc/28/97/07/1170289707.db2.gz NLZMVIJPJOHQJD-NSHDSACASA-N -1 1 307.310 0.733 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)C1=CCCCCC1 ZINC001606802796 1170295039 /nfs/dbraw/zinc/29/50/39/1170295039.db2.gz NNQNVCIACKMXBM-UHFFFAOYSA-N -1 1 302.342 0.465 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCC[C@H](F)C1 ZINC001606803301 1170296089 /nfs/dbraw/zinc/29/60/89/1170296089.db2.gz UBFDYSYGLNWUEI-IUCAKERBSA-N -1 1 323.336 0.038 20 0 DCADMM O=C(NCc1ccc(=O)[nH]n1)c1ccsc1-c1nnn[n-]1 ZINC001606831840 1170306870 /nfs/dbraw/zinc/30/68/70/1170306870.db2.gz DNTMKFYDPAMSMD-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(NCc1ccc(=O)[nH]n1)c1ccsc1-c1nn[n-]n1 ZINC001606831840 1170306874 /nfs/dbraw/zinc/30/68/74/1170306874.db2.gz DNTMKFYDPAMSMD-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM COC[C@H]1CNCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001606847576 1170313288 /nfs/dbraw/zinc/31/32/88/1170313288.db2.gz GZKAPVKHALHGDQ-SNVBAGLBSA-N -1 1 311.313 0.976 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC([C@@H]2CCOC2)C1 ZINC001606933938 1170333958 /nfs/dbraw/zinc/33/39/58/1170333958.db2.gz 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DCADMM c1c(NCCO[C@@H]2CCOC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114933 1170403450 /nfs/dbraw/zinc/40/34/50/1170403450.db2.gz WQOVTOZCFOBNQK-SNVBAGLBSA-N -1 1 317.353 0.752 20 0 DCADMM c1[nH]nc2cc(CCNc3ccnc(-c4nn[n-]n4)n3)ccc12 ZINC001607120900 1170405072 /nfs/dbraw/zinc/40/50/72/1170405072.db2.gz IUYDFJVWHRLEAP-UHFFFAOYSA-N -1 1 307.321 0.610 20 0 DCADMM c1nc(N2CCOC[C@H]2[C@H]2CCCO2)cnc1-c1nnn[n-]1 ZINC001607137280 1170408108 /nfs/dbraw/zinc/40/81/08/1170408108.db2.gz OBYMKCHMVNUUGU-WDEREUQCSA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(N2CCOC[C@H]2[C@H]2CCCO2)cnc1-c1nn[n-]n1 ZINC001607137280 1170408109 /nfs/dbraw/zinc/40/81/09/1170408109.db2.gz OBYMKCHMVNUUGU-WDEREUQCSA-N -1 1 303.326 0.041 20 0 DCADMM COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2CCNC[C@H]2C)c1 ZINC001607207242 1170414894 /nfs/dbraw/zinc/41/48/94/1170414894.db2.gz LYYJXJPCSZPJKA-SECBINFHSA-N -1 1 321.333 0.152 20 0 DCADMM COc1ccccc1C[C@H](CNC(=O)c1cnn[nH]1)C(=O)[O-] ZINC001607342719 1170430997 /nfs/dbraw/zinc/43/09/97/1170430997.db2.gz 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C[C@@H]1C[C@H]1C(=O)NCCOCCCNC(=O)c1ncccc1[O-] ZINC001679759410 1175752674 /nfs/dbraw/zinc/75/26/74/1175752674.db2.gz BYTQRLJBMTYKLU-VXGBXAGGSA-N -1 1 321.377 0.696 20 0 DCADMM C[C@H](CC(=O)NCCNC(=O)c1ncccc1[O-])[C@@H]1CCCO1 ZINC001686553775 1176150420 /nfs/dbraw/zinc/15/04/20/1176150420.db2.gz ZRPIRXMCZCAVGV-YPMHNXCESA-N -1 1 321.377 0.838 20 0 DCADMM CO[C@@H]1CCC[C@@H]1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001686972610 1176257450 /nfs/dbraw/zinc/25/74/50/1176257450.db2.gz SJIVHAKSZGYORK-WCQYABFASA-N -1 1 321.377 0.838 20 0 DCADMM Cn1[n-]c(CN2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)nc1=O ZINC001688697198 1176592816 /nfs/dbraw/zinc/59/28/16/1176592816.db2.gz CDRMHSHEOQVFIG-MRXNPFEDSA-N -1 1 319.409 0.499 20 0 DCADMM O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2cccnc2c1[O-] ZINC000118291511 1176625682 /nfs/dbraw/zinc/62/56/82/1176625682.db2.gz WSJJNDCYBBSWEO-SNVBAGLBSA-N -1 1 306.343 0.857 20 0 DCADMM CC/C=C(/C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001692145930 1177425251 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CCN(CCCNC(=O)Cc1cccnc1)Cc1n[nH]c(=O)[n-]1 ZINC001707447554 1180512540 /nfs/dbraw/zinc/51/25/40/1180512540.db2.gz LGVVINCQLKTWHA-UHFFFAOYSA-N -1 1 318.381 0.476 20 0 DCADMM CCC(CO)(CO)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000232870107 1180560992 /nfs/dbraw/zinc/56/09/92/1180560992.db2.gz PPZJNORMISMRFK-UHFFFAOYSA-N -1 1 313.297 0.516 20 0 DCADMM C/C=C(\C)C(=O)NC[C@H]1CCCCN1Cc1nc(=O)n(C)[n-]1 ZINC001713250760 1180736271 /nfs/dbraw/zinc/73/62/71/1180736271.db2.gz RITUETKYLBGCCP-KBVBDRTLSA-N -1 1 307.398 0.545 20 0 DCADMM C/C=C(/C)C(=O)NC[C@@H]1CCCCN1Cc1nc(=O)n(C)[n-]1 ZINC001713250761 1180737110 /nfs/dbraw/zinc/73/71/10/1180737110.db2.gz RITUETKYLBGCCP-MCWZUMHDSA-N -1 1 307.398 0.545 20 0 DCADMM C[C@H](CNC(=O)c1cc2occc2[nH]1)NCc1n[nH]c(=O)[n-]1 ZINC001713313474 1180763644 /nfs/dbraw/zinc/76/36/44/1180763644.db2.gz JPXKAFUIPKWHKN-SSDOTTSWSA-N -1 1 304.310 0.493 20 0 DCADMM COc1ccc(C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)c(C)c1 ZINC001713629876 1180978480 /nfs/dbraw/zinc/97/84/80/1180978480.db2.gz 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309.322 0.538 20 0 DCADMM CC/C(C)=C\C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001489575814 949900360 /nfs/dbraw/zinc/90/03/60/949900360.db2.gz HHHLKKSHVKTADJ-SHUKBNHRSA-N -1 1 319.361 0.445 20 0 DCADMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)c1cnn(C)c1 ZINC001364766360 949903427 /nfs/dbraw/zinc/90/34/27/949903427.db2.gz AZBFWWHOMVMZDQ-SNVBAGLBSA-N -1 1 318.337 0.692 20 0 DCADMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)c1cnn(C)c1 ZINC001364766360 949903448 /nfs/dbraw/zinc/90/34/48/949903448.db2.gz AZBFWWHOMVMZDQ-SNVBAGLBSA-N -1 1 318.337 0.692 20 0 DCADMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)c1cnn(C)c1 ZINC001364766360 949903458 /nfs/dbraw/zinc/90/34/58/949903458.db2.gz AZBFWWHOMVMZDQ-SNVBAGLBSA-N -1 1 318.337 0.692 20 0 DCADMM COC[C@@H](NC(=O)c1cccc(OC)c1OC)c1nn[n-]n1 ZINC001364812615 949991694 /nfs/dbraw/zinc/99/16/94/949991694.db2.gz FBNKBGGKWRHMKS-SECBINFHSA-N -1 1 307.310 0.334 20 0 DCADMM COC[C@@H](NC(=O)CCCc1nc(C)cs1)c1nn[n-]n1 ZINC001364814983 949995908 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CCS(=O)(=O)C1(CNCc2cc(C(=O)[O-])nn2C)CC1 ZINC001593122984 951408285 /nfs/dbraw/zinc/40/82/85/951408285.db2.gz IVVUVKLVJMRUCV-UHFFFAOYSA-N -1 1 301.368 0.175 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1cnccc1C ZINC001365720152 951472878 /nfs/dbraw/zinc/47/28/78/951472878.db2.gz CXXLSGVJNDJPED-UHFFFAOYSA-N -1 1 324.362 0.421 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(=O)C1CCCC1 ZINC001365725331 951476957 /nfs/dbraw/zinc/47/69/57/951476957.db2.gz IIYYTOJWBKZUCL-UHFFFAOYSA-N -1 1 315.351 0.234 20 0 DCADMM CC(C)=CC(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@H]1C ZINC001332160193 951502832 /nfs/dbraw/zinc/50/28/32/951502832.db2.gz QOMOMFUXSKUGQL-RYUDHWBXSA-N -1 1 307.398 0.544 20 0 DCADMM Cc1cc(NCCNC(=O)CN2CCC[C@H](C(=O)[O-])C2)n(C)n1 ZINC001332225578 951531731 /nfs/dbraw/zinc/53/17/31/951531731.db2.gz STUZJRREDVNCPK-LBPRGKRZSA-N -1 1 323.397 0.053 20 0 DCADMM NC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)nc2F)CCCC1 ZINC001463136544 1013111257 /nfs/dbraw/zinc/11/12/57/1013111257.db2.gz 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/nfs/dbraw/zinc/37/33/91/958373391.db2.gz GRXBMTXUXFADJW-UHFFFAOYSA-N -1 1 316.365 0.792 20 0 DCADMM Cc1cnc(S(C)(=O)=O)nc1C(=O)[N-]c1nc(C2CC2)no1 ZINC001361837759 958389204 /nfs/dbraw/zinc/38/92/04/958389204.db2.gz HMHSMSUKHCMBIF-UHFFFAOYSA-N -1 1 323.334 0.701 20 0 DCADMM CCc1nc(C)c(C(=O)N[C@H](C)CNCc2n[nH]c(=O)[n-]2)s1 ZINC001367699575 958400536 /nfs/dbraw/zinc/40/05/36/958400536.db2.gz YTSJJUNYUYIVRZ-SSDOTTSWSA-N -1 1 324.410 0.746 20 0 DCADMM CC1N=NC(C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)=C1[O-] ZINC001361901908 958466118 /nfs/dbraw/zinc/46/61/18/958466118.db2.gz CMURHUXFCTWMKS-SNVBAGLBSA-N -1 1 300.318 0.728 20 0 DCADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001361923168 958491738 /nfs/dbraw/zinc/49/17/38/958491738.db2.gz JDVNYUMVVUPJDH-GGZOMVNGSA-N -1 1 317.353 0.189 20 0 DCADMM Cc1ccc(F)c(C(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)c1 ZINC001367760624 958517791 /nfs/dbraw/zinc/51/77/91/958517791.db2.gz UPMSYSIUHLRNNF-VIFPVBQESA-N -1 1 307.329 0.866 20 0 DCADMM CCOC(=O)Cc1csc(NC(=O)CCc2nn[n-]n2)n1 ZINC001361940689 958518368 /nfs/dbraw/zinc/51/83/68/958518368.db2.gz MLRVFRPDNQRUND-UHFFFAOYSA-N -1 1 310.339 0.333 20 0 DCADMM COC(=O)[C@H](NC(=O)CCCc1nn[n-]n1)c1cccs1 ZINC001361995410 958583292 /nfs/dbraw/zinc/58/32/92/958583292.db2.gz KIWJIYIQDDNLSB-LLVKDONJSA-N -1 1 309.351 0.614 20 0 DCADMM O=C(c1cccc([O-])c1F)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001362012238 958606702 /nfs/dbraw/zinc/60/67/02/958606702.db2.gz ZUJWGNMPYISHRB-CYBMUJFWSA-N -1 1 322.336 0.995 20 0 DCADMM COC(=O)[C@H]1CN(C(=O)c2cnncc2O)c2ccccc2O1 ZINC001362052938 958657798 /nfs/dbraw/zinc/65/77/98/958657798.db2.gz NCSIKPBLBAPUCA-CYBMUJFWSA-N -1 1 315.285 0.763 20 0 DCADMM COC(=O)[C@H]1CN(C(=O)c2cnncc2[O-])c2ccccc2O1 ZINC001362052938 958657802 /nfs/dbraw/zinc/65/78/02/958657802.db2.gz NCSIKPBLBAPUCA-CYBMUJFWSA-N -1 1 315.285 0.763 20 0 DCADMM CCOC(=O)c1csc(CNC(=O)CCCc2nn[n-]n2)n1 ZINC001362091826 958722175 /nfs/dbraw/zinc/72/21/75/958722175.db2.gz RWLWJSFQPDAOAM-UHFFFAOYSA-N -1 1 324.366 0.472 20 0 DCADMM C[C@@H](NC(=O)CCCc1nn[n-]n1)[C@@H](O)c1ccc(F)cc1 ZINC001362114603 958761758 /nfs/dbraw/zinc/76/17/58/958761758.db2.gz OYKCMORNHDEQPF-YMTOWFKASA-N -1 1 307.329 0.900 20 0 DCADMM COc1ccccc1NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001594146754 958774043 /nfs/dbraw/zinc/77/40/43/958774043.db2.gz AUSHFGZGFSENSJ-BDJLRTHQSA-N -1 1 320.345 0.667 20 0 DCADMM Cc1nc(C2(NC(=O)CCCc3nn[n-]n3)CCCC2)no1 ZINC001362135074 958798450 /nfs/dbraw/zinc/79/84/50/958798450.db2.gz DSFCMUCSJGIVMY-UHFFFAOYSA-N -1 1 305.342 0.800 20 0 DCADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@]1(O)CCSC1 ZINC001362157524 958841703 /nfs/dbraw/zinc/84/17/03/958841703.db2.gz AMKNLKXYSHLOOU-ZDUSSCGKSA-N -1 1 321.362 0.585 20 0 DCADMM CCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1ncccc1[O-] ZINC001362163784 958855759 /nfs/dbraw/zinc/85/57/59/958855759.db2.gz VOYHWDVNRIBSAJ-NSHDSACASA-N -1 1 307.350 0.402 20 0 DCADMM COC(=O)CN(CCC(F)(F)F)C(=O)CCc1nn[n-]n1 ZINC001362214780 958943030 /nfs/dbraw/zinc/94/30/30/958943030.db2.gz FGPWHKNNDLVXJO-UHFFFAOYSA-N -1 1 309.248 0.086 20 0 DCADMM Cn1c(CNC(=O)CCCc2nn[n-]n2)nnc1C1CCC1 ZINC001362217984 958945162 /nfs/dbraw/zinc/94/51/62/958945162.db2.gz OKISRPPHCISSQA-UHFFFAOYSA-N -1 1 304.358 0.235 20 0 DCADMM O=C(c1cncnc1C1CC1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001362243355 958991911 /nfs/dbraw/zinc/99/19/11/958991911.db2.gz CIWPJXYVMQHARP-SNVBAGLBSA-N -1 1 301.310 0.081 20 0 DCADMM CC(=O)OC1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001362256772 959015431 /nfs/dbraw/zinc/01/54/31/959015431.db2.gz SBSSVANJKLJCDX-UHFFFAOYSA-N -1 1 321.333 0.071 20 0 DCADMM COCCn1ncc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1C ZINC001362315120 959126607 /nfs/dbraw/zinc/12/66/07/959126607.db2.gz VSBNFNKNOXHNNN-LLVKDONJSA-N -1 1 319.369 0.371 20 0 DCADMM Cc1cc(C)c(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)c(=O)[nH]1 ZINC001362330429 959157521 /nfs/dbraw/zinc/15/75/21/959157521.db2.gz XWFOZGGOOLDCRK-VIFPVBQESA-N -1 1 304.354 0.722 20 0 DCADMM Cc1cccc(C[C@H](CO)NC(=O)CCCc2nn[n-]n2)c1 ZINC001362351386 959192416 /nfs/dbraw/zinc/19/24/16/959192416.db2.gz FEGNGZHCHZSCFZ-CYBMUJFWSA-N -1 1 303.366 0.551 20 0 DCADMM COc1nsc(OC)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001362352180 959193966 /nfs/dbraw/zinc/19/39/66/959193966.db2.gz GVKKJHXOAGYHNR-SSDOTTSWSA-N -1 1 324.366 0.693 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001362377472 959247361 /nfs/dbraw/zinc/24/73/61/959247361.db2.gz RGWVUOROMQYERO-IJLUTSLNSA-N -1 1 309.370 0.347 20 0 DCADMM O=C(c1cccnc1C(F)F)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001362383965 959251702 /nfs/dbraw/zinc/25/17/02/959251702.db2.gz BHFRNQNVPKRJBU-UHFFFAOYSA-N -1 1 324.291 0.656 20 0 DCADMM O=C(CCc1cncs1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001362384076 959251926 /nfs/dbraw/zinc/25/19/26/959251926.db2.gz BYHXAQVNVKHKFG-UHFFFAOYSA-N -1 1 308.367 0.099 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N1CC(C2CCOCC2)C1 ZINC001362387626 959258656 /nfs/dbraw/zinc/25/86/56/959258656.db2.gz MADZFXGWUUPHNB-UHFFFAOYSA-N -1 1 319.361 0.402 20 0 DCADMM O=C(CCCc1nn[n-]n1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC001362421787 959324295 /nfs/dbraw/zinc/32/42/95/959324295.db2.gz QVPZRGWORODQBH-QWHCGFSZSA-N -1 1 319.365 0.123 20 0 DCADMM CC(C)(C)c1nc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)co1 ZINC001362439455 959357622 /nfs/dbraw/zinc/35/76/22/959357622.db2.gz XERXDNNQTMMXSH-UHFFFAOYSA-N -1 1 320.353 0.609 20 0 DCADMM C[C@@H](CN(C)C)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000168648752 959385392 /nfs/dbraw/zinc/38/53/92/959385392.db2.gz OPOGMEKGHHPMBT-JTQLQIEISA-N -1 1 300.380 0.754 20 0 DCADMM Cn1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1C(N)=O ZINC001362518644 959510443 /nfs/dbraw/zinc/51/04/43/959510443.db2.gz XEHLZRXNOVHMQP-UHFFFAOYSA-N -1 1 301.306 0.749 20 0 DCADMM COCCN(Cc1c(C)nn(C)c1C)C(=O)CCc1nn[n-]n1 ZINC001362530924 959533738 /nfs/dbraw/zinc/53/37/38/959533738.db2.gz ATBWZWYUGWWPQM-UHFFFAOYSA-N -1 1 321.385 0.158 20 0 DCADMM O=C(c1cnoc1C1CC1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001362557729 959592672 /nfs/dbraw/zinc/59/26/72/959592672.db2.gz APRLSWRXDNQKQR-UHFFFAOYSA-N 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O=C(NC1(c2nn[n-]n2)CCC1)c1cc(C(F)(F)F)n[nH]1 ZINC001363276530 960759923 /nfs/dbraw/zinc/75/99/23/960759923.db2.gz DSTMVOFNQFCEME-UHFFFAOYSA-N -1 1 301.232 0.751 20 0 DCADMM Cn1nc(C(F)(F)F)cc1CNC(=O)CCCc1nn[n-]n1 ZINC001363320552 960881505 /nfs/dbraw/zinc/88/15/05/960881505.db2.gz KHCJHDNTWVHXSE-UHFFFAOYSA-N -1 1 317.275 0.591 20 0 DCADMM O=C([C@@H]1CC(c2ccccn2)=NO1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001363322891 960891598 /nfs/dbraw/zinc/89/15/98/960891598.db2.gz RHNIRHMOOYWKEQ-SKDRFNHKSA-N -1 1 313.321 0.104 20 0 DCADMM C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363326985 960902381 /nfs/dbraw/zinc/90/23/81/960902381.db2.gz PLPKJTJVQZNHTI-SECBINFHSA-N -1 1 316.317 0.323 20 0 DCADMM CSc1ncc(C(=O)N[C@@H](C)c2nccc(N)n2)c(=O)[n-]1 ZINC001363340455 960937704 /nfs/dbraw/zinc/93/77/04/960937704.db2.gz JITUYQRMSSIFHW-LURJTMIESA-N -1 1 306.351 0.767 20 0 DCADMM CC(C)CN(Cc1nn[n-]n1)C(=O)CSc1nncs1 ZINC001363352813 960961162 /nfs/dbraw/zinc/96/11/62/960961162.db2.gz 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1010332907 /nfs/dbraw/zinc/33/29/07/1010332907.db2.gz AOYYXTXJTNNJBH-NEPJUHHUSA-N -1 1 321.425 0.625 20 0 DCADMM CC(C)(CNC(=O)OC(C)(C)C)CC(=O)NCc1nn[n-]n1 ZINC001443338584 1010345597 /nfs/dbraw/zinc/34/55/97/1010345597.db2.gz UAMIKSPHGMQVKU-UHFFFAOYSA-N -1 1 312.374 0.757 20 0 DCADMM COCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001443350018 1010360258 /nfs/dbraw/zinc/36/02/58/1010360258.db2.gz GHWVNINOJZFKFA-CNDDSTCGSA-N -1 1 319.361 0.258 20 0 DCADMM CC(C)(C(=O)N1CCO[C@H](c2nn[n-]n2)C1)C1CCC(O)CC1 ZINC001443447160 1010411263 /nfs/dbraw/zinc/41/12/63/1010411263.db2.gz FQBYXVORZJQZAM-MCIGGMRASA-N -1 1 323.397 0.677 20 0 DCADMM O=C(Cc1nc(C2CC2)cs1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001443455083 1010418093 /nfs/dbraw/zinc/41/80/93/1010418093.db2.gz VHENJDPWSIADRD-JTQLQIEISA-N -1 1 320.378 0.676 20 0 DCADMM CC[C@@H](C)NC(=O)[C@@H](C)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC001443455635 1010419669 /nfs/dbraw/zinc/41/96/69/1010419669.db2.gz GIAKNCJAGRXOHQ-GHMZBOCLSA-N -1 1 320.393 0.504 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCOC1 ZINC001443779507 1010649333 /nfs/dbraw/zinc/64/93/33/1010649333.db2.gz ICKAQFQMDFPZPT-RYUDHWBXSA-N -1 1 321.377 0.791 20 0 DCADMM CC[C@H](CNC(=O)[C@H]1CCCOCC1)NCc1n[nH]c(=O)[n-]1 ZINC001443913996 1010745907 /nfs/dbraw/zinc/74/59/07/1010745907.db2.gz UYFYYDLNSPBZER-WDEREUQCSA-N -1 1 311.386 0.311 20 0 DCADMM CC[C@@H](CNC(=O)C1(C)CCOCC1)NCc1n[nH]c(=O)[n-]1 ZINC001444017441 1010804565 /nfs/dbraw/zinc/80/45/65/1010804565.db2.gz PBYUAVKCCCCCMO-JTQLQIEISA-N -1 1 311.386 0.311 20 0 DCADMM C[C@@](CNCc1n[nH]c(=O)[n-]1)(NC(=O)CCC(F)F)C1CC1 ZINC001444123853 1010869276 /nfs/dbraw/zinc/86/92/76/1010869276.db2.gz QFKAFXNHHHSVOR-ZDUSSCGKSA-N -1 1 317.340 0.930 20 0 DCADMM COC[C@@H](OC)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001444210218 1010906627 /nfs/dbraw/zinc/90/66/27/1010906627.db2.gz MTGKTDUOHCAFLO-LLVKDONJSA-N -1 1 307.310 0.379 20 0 DCADMM Cc1nc(C(=O)N(C)C[C@H](C)NCc2n[nH]c(=O)[n-]2)c(C)o1 ZINC001423131010 1010913765 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CNC(=O)C1([N-]S(=O)(=O)c2csnc2OC)CCCC1 ZINC001423653763 1011392732 /nfs/dbraw/zinc/39/27/32/1011392732.db2.gz IQUVSKBEUGRKQN-UHFFFAOYSA-N -1 1 319.408 0.489 20 0 DCADMM COCCC(=O)N1CCC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001423708649 1011442690 /nfs/dbraw/zinc/44/26/90/1011442690.db2.gz ZYXOJTDZKHAAMF-LBPRGKRZSA-N -1 1 321.377 0.887 20 0 DCADMM C[C@H](CNC(=O)C[C@@H]1CCCO1)NC(=O)c1ncccc1[O-] ZINC001431627302 1011481452 /nfs/dbraw/zinc/48/14/52/1011481452.db2.gz PCBLIUKRXXRXPR-MNOVXSKESA-N -1 1 307.350 0.591 20 0 DCADMM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)N=S(C)(C)=O ZINC001423772726 1011522537 /nfs/dbraw/zinc/52/25/37/1011522537.db2.gz YTGVQMIOZGAKTF-MRVPVSSYSA-N -1 1 300.402 0.136 20 0 DCADMM O=C(Cc1cc[nH]n1)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001534744470 1011654075 /nfs/dbraw/zinc/65/40/75/1011654075.db2.gz JXHORCRKLNTGSU-NSHDSACASA-N -1 1 315.333 0.084 20 0 DCADMM CO[C@@H](C)CCC(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001534771561 1011666470 /nfs/dbraw/zinc/66/64/70/1011666470.db2.gz 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415230613 /nfs/dbraw/zinc/23/06/13/415230613.db2.gz LXPCVSFURPPDFI-RYUDHWBXSA-N -1 1 302.334 0.369 20 0 DCADMM COc1cc(OC)c(OC)c2[nH]c(C(=O)Nc3nn[n-]n3)cc21 ZINC000342853305 415317120 /nfs/dbraw/zinc/31/71/20/415317120.db2.gz UNDXUKJCIORKGF-UHFFFAOYSA-N -1 1 318.293 0.959 20 0 DCADMM CC(=O)N[C@H](CC(=O)Nc1nnn[n-]1)c1c(F)cccc1F ZINC000342855878 415320107 /nfs/dbraw/zinc/32/01/07/415320107.db2.gz AGRIHPGRNGFBQM-SECBINFHSA-N -1 1 310.264 0.684 20 0 DCADMM CC(=O)N[C@H](CC(=O)Nc1nn[n-]n1)c1c(F)cccc1F ZINC000342855878 415320112 /nfs/dbraw/zinc/32/01/12/415320112.db2.gz AGRIHPGRNGFBQM-SECBINFHSA-N -1 1 310.264 0.684 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)c1ccco1)c1nn[n-]n1 ZINC000273548251 415323745 /nfs/dbraw/zinc/32/37/45/415323745.db2.gz VCYXISQNJGMKAF-IUCAKERBSA-N -1 1 306.326 0.173 20 0 DCADMM O=C(NCc1nccc2ccccc21)c1cc(=O)n2[n-]cnc2n1 ZINC000352812340 415333028 /nfs/dbraw/zinc/33/30/28/415333028.db2.gz YCCQILZQTVCXIV-UHFFFAOYSA-N -1 1 320.312 0.896 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2CO)o1 ZINC000068434121 415394062 /nfs/dbraw/zinc/39/40/62/415394062.db2.gz OHCQDCAARGNRFS-UHFFFAOYSA-N -1 1 324.358 0.610 20 0 DCADMM CCOc1ccccc1[C@@H](CC(=O)Nc1nnn[n-]1)NC(C)=O ZINC000343057764 415426103 /nfs/dbraw/zinc/42/61/03/415426103.db2.gz TZWUSQBOLXULHF-LLVKDONJSA-N -1 1 318.337 0.804 20 0 DCADMM CCOc1ccccc1[C@@H](CC(=O)Nc1nn[n-]n1)NC(C)=O ZINC000343057764 415426112 /nfs/dbraw/zinc/42/61/12/415426112.db2.gz TZWUSQBOLXULHF-LLVKDONJSA-N -1 1 318.337 0.804 20 0 DCADMM O=C([C@@H]1CCCCC(=O)N1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000424532780 287307755 /nfs/dbraw/zinc/30/77/55/287307755.db2.gz PKYUZOHLCCMKFC-ZJUUUORDSA-N -1 1 308.338 0.540 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@](C)(O)C(C)C ZINC000075116617 415436100 /nfs/dbraw/zinc/43/61/00/415436100.db2.gz NTFUXSKNTPKHAI-INIZCTEOSA-N -1 1 320.393 0.705 20 0 DCADMM CSc1nc(C)c(CCC(=O)N2CC(NC(C)=O)C2)c(=O)[n-]1 ZINC000276226442 415453414 /nfs/dbraw/zinc/45/34/14/415453414.db2.gz RGKDURSXAPJEJY-UHFFFAOYSA-N -1 1 324.406 0.492 20 0 DCADMM CC(C)[C@@H]1C(=O)NCCN1C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000279174514 415518050 /nfs/dbraw/zinc/51/80/50/415518050.db2.gz BHLWGNUOUHBKKG-ZDFPAGSVSA-N -1 1 316.365 0.330 20 0 DCADMM Cc1noc(C[N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)n1 ZINC000333164631 415575506 /nfs/dbraw/zinc/57/55/06/415575506.db2.gz MLRPQKVEDJFCJA-MRVPVSSYSA-N -1 1 311.367 0.950 20 0 DCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](CC)CCO ZINC000094951636 415548684 /nfs/dbraw/zinc/54/86/84/415548684.db2.gz NXZHSFIWWLEJGA-VIFPVBQESA-N -1 1 319.383 0.273 20 0 DCADMM CCN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1COc2ccccc2O1 ZINC000353478097 415562200 /nfs/dbraw/zinc/56/22/00/415562200.db2.gz RWJPDSFPJKBGOQ-LLVKDONJSA-N -1 1 304.350 0.770 20 0 DCADMM Cc1ccc([C@@H](CNC(=O)c2nc(=O)[nH][n-]2)N2CCCC2)o1 ZINC000101678575 415596291 /nfs/dbraw/zinc/59/62/91/415596291.db2.gz DKKACXIGDYEXJR-SNVBAGLBSA-N -1 1 305.338 0.566 20 0 DCADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CCc2c(F)cccc2C1 ZINC000353878041 415682555 /nfs/dbraw/zinc/68/25/55/415682555.db2.gz GVFKVGMJBXIWJN-UHFFFAOYSA-N -1 1 313.292 0.755 20 0 DCADMM Cc1onc(N)c1S(=O)(=O)[N-][C@]1(C)CCO[C@@H]1C1CC1 ZINC000289864154 415727297 /nfs/dbraw/zinc/72/72/97/415727297.db2.gz NHAFWPSBCHMXHL-ZYHUDNBSSA-N -1 1 301.368 0.801 20 0 DCADMM C[C@H](Cc1ccncc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000343788312 415729397 /nfs/dbraw/zinc/72/93/97/415729397.db2.gz ADJSRCDMACHNJR-LLVKDONJSA-N -1 1 314.345 0.659 20 0 DCADMM COC[C@H]([N-]S(=O)(=O)c1c(C)onc1N)[C@@H]1CCCO1 ZINC000289889947 415730962 /nfs/dbraw/zinc/73/09/62/415730962.db2.gz OZBMBAJFSRLYES-IUCAKERBSA-N -1 1 305.356 0.038 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N1CCO[C@@H]2CCC[C@@H]21 ZINC000343792640 415732401 /nfs/dbraw/zinc/73/24/01/415732401.db2.gz DTMQQPJLJZFGBM-CMPLNLGQSA-N -1 1 305.334 0.297 20 0 DCADMM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ncccc1[O-] ZINC000112117173 415705713 /nfs/dbraw/zinc/70/57/13/415705713.db2.gz IMOGZIOIBZJDDG-SSDOTTSWSA-N -1 1 303.240 0.680 20 0 DCADMM CCC[C@@H](NC(=O)CCS(=O)(=O)CC(C)C)c1nn[n-]n1 ZINC000343756131 415712384 /nfs/dbraw/zinc/71/23/84/415712384.db2.gz VTUJXPWDDKNZKI-SNVBAGLBSA-N -1 1 317.415 0.618 20 0 DCADMM COc1ccc(O)c(NC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000343897974 415771852 /nfs/dbraw/zinc/77/18/52/415771852.db2.gz OSHXHCCFFYEZSK-UHFFFAOYSA-N -1 1 317.301 0.870 20 0 DCADMM CC(C)C[C@H](CCO)CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000344039890 415825468 /nfs/dbraw/zinc/82/54/68/415825468.db2.gz SPMDDXZPMNEQDL-LBPRGKRZSA-N -1 1 323.393 0.678 20 0 DCADMM C[C@H](CN(C)C)NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000336831381 415826757 /nfs/dbraw/zinc/82/67/57/415826757.db2.gz DCZYBOBDWBQLSM-MRVPVSSYSA-N -1 1 304.343 0.752 20 0 DCADMM NC(=O)C[C@H](NC(=O)c1c([O-])cccc1F)C1CCOCC1 ZINC000127971872 415892502 /nfs/dbraw/zinc/89/25/02/415892502.db2.gz CVYIRHVFAFSQNY-NSHDSACASA-N -1 1 310.325 0.932 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCCc2c[nH]nc21 ZINC000344409523 415908449 /nfs/dbraw/zinc/90/84/49/415908449.db2.gz 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/nfs/dbraw/zinc/55/80/83/606558083.db2.gz NTZXVFUTEPPIJK-SECBINFHSA-N -1 1 323.378 0.711 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCC[C@H]2O)n1 ZINC000822614408 606597364 /nfs/dbraw/zinc/59/73/64/606597364.db2.gz MTNGRAPPEDGGBF-RKDXNWHRSA-N -1 1 306.330 0.025 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCC[C@H]2O)n1 ZINC000822614408 606597366 /nfs/dbraw/zinc/59/73/66/606597366.db2.gz MTNGRAPPEDGGBF-RKDXNWHRSA-N -1 1 306.330 0.025 20 0 DCADMM CO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821678460 606605258 /nfs/dbraw/zinc/60/52/58/606605258.db2.gz NZEPFVJMEFCXBO-WDEREUQCSA-N -1 1 302.338 0.805 20 0 DCADMM CO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821678460 606605259 /nfs/dbraw/zinc/60/52/59/606605259.db2.gz NZEPFVJMEFCXBO-WDEREUQCSA-N -1 1 302.338 0.805 20 0 DCADMM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820287372 606625581 /nfs/dbraw/zinc/62/55/81/606625581.db2.gz LGDLORCSQKIMIS-GXSJLCMTSA-N -1 1 318.337 0.186 20 0 DCADMM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820287372 606625583 /nfs/dbraw/zinc/62/55/83/606625583.db2.gz LGDLORCSQKIMIS-GXSJLCMTSA-N -1 1 318.337 0.186 20 0 DCADMM COC(=O)N(C)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821663661 606647450 /nfs/dbraw/zinc/64/74/50/606647450.db2.gz ITCKAHYYZWUWKN-UHFFFAOYSA-N -1 1 306.282 0.003 20 0 DCADMM COC(=O)N(C)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821663661 606647451 /nfs/dbraw/zinc/64/74/51/606647451.db2.gz ITCKAHYYZWUWKN-UHFFFAOYSA-N -1 1 306.282 0.003 20 0 DCADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC000819883949 606647813 /nfs/dbraw/zinc/64/78/13/606647813.db2.gz PCKNEJITYQRURS-SECBINFHSA-N -1 1 313.321 0.842 20 0 DCADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC000819883949 606647814 /nfs/dbraw/zinc/64/78/14/606647814.db2.gz PCKNEJITYQRURS-SECBINFHSA-N -1 1 313.321 0.842 20 0 DCADMM COC(=O)[C@@H]1C[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821653537 606648923 /nfs/dbraw/zinc/64/89/23/606648923.db2.gz DDCJRWDKPZIDNH-RKDXNWHRSA-N -1 1 303.278 0.114 20 0 DCADMM COC(=O)[C@@H]1C[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821653537 606648924 /nfs/dbraw/zinc/64/89/24/606648924.db2.gz DDCJRWDKPZIDNH-RKDXNWHRSA-N -1 1 303.278 0.114 20 0 DCADMM COC(=O)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC000821655901 606690299 /nfs/dbraw/zinc/69/02/99/606690299.db2.gz TZWHWTBVXQPYFA-SFYZADRCSA-N -1 1 321.362 0.809 20 0 DCADMM COC(=O)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC000821655901 606690300 /nfs/dbraw/zinc/69/03/00/606690300.db2.gz TZWHWTBVXQPYFA-SFYZADRCSA-N -1 1 321.362 0.809 20 0 DCADMM CCc1noc(CC)c1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000821559039 606694961 /nfs/dbraw/zinc/69/49/61/606694961.db2.gz QFVJGHXIDHPOHW-UHFFFAOYSA-N -1 1 316.325 0.641 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncccn1 ZINC000820803634 606806636 /nfs/dbraw/zinc/80/66/36/606806636.db2.gz DKPBROSJLWVZEN-SNVBAGLBSA-N -1 1 324.352 0.162 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncccn1 ZINC000820803634 606806638 /nfs/dbraw/zinc/80/66/38/606806638.db2.gz DKPBROSJLWVZEN-SNVBAGLBSA-N -1 1 324.352 0.162 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CC1 ZINC000820778475 606823560 /nfs/dbraw/zinc/82/35/60/606823560.db2.gz XKLUURPZDJDHTB-SECBINFHSA-N -1 1 314.353 0.104 20 0 DCADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CC1 ZINC000820778475 606823561 /nfs/dbraw/zinc/82/35/61/606823561.db2.gz XKLUURPZDJDHTB-SECBINFHSA-N -1 1 314.353 0.104 20 0 DCADMM C[C@@H]1N(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCOC1(C)C ZINC000820822325 606935045 /nfs/dbraw/zinc/93/50/45/606935045.db2.gz YQGNZJDMSQJKIS-VIFPVBQESA-N -1 1 302.338 0.901 20 0 DCADMM C[C@@H]1N(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCOC1(C)C ZINC000820822325 606935046 /nfs/dbraw/zinc/93/50/46/606935046.db2.gz YQGNZJDMSQJKIS-VIFPVBQESA-N -1 1 302.338 0.901 20 0 DCADMM COC(=O)C[C@@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821657156 606953144 /nfs/dbraw/zinc/95/31/44/606953144.db2.gz IWTLOFPNKVXUKX-MRVPVSSYSA-N -1 1 305.294 0.504 20 0 DCADMM COC(=O)C[C@@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821657156 606953146 /nfs/dbraw/zinc/95/31/46/606953146.db2.gz IWTLOFPNKVXUKX-MRVPVSSYSA-N -1 1 305.294 0.504 20 0 DCADMM CC(=O)N[C@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)C(C)C ZINC000819802412 607024544 /nfs/dbraw/zinc/02/45/44/607024544.db2.gz ANHFYSLOUDRLEF-QMMMGPOBSA-N -1 1 309.355 0.422 20 0 DCADMM CC(=O)N[C@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)C(C)C ZINC000819802412 607024545 /nfs/dbraw/zinc/02/45/45/607024545.db2.gz ANHFYSLOUDRLEF-QMMMGPOBSA-N -1 1 309.355 0.422 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCCCCCO)c1 ZINC000821666953 607160707 /nfs/dbraw/zinc/16/07/07/607160707.db2.gz NLLUCIYPQLNPGX-UHFFFAOYSA-N -1 1 321.337 0.368 20 0 DCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1Cc2ccccc2C1 ZINC000821571909 607210037 /nfs/dbraw/zinc/21/00/37/607210037.db2.gz KMYDTLONXLWGMK-UHFFFAOYSA-N -1 1 324.348 0.084 20 0 DCADMM CC(C)(C)n1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cn1 ZINC000819976198 607211103 /nfs/dbraw/zinc/21/11/03/607211103.db2.gz QEEGXZMJJBAOAC-UHFFFAOYSA-N -1 1 316.329 0.048 20 0 DCADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC000820335161 607218810 /nfs/dbraw/zinc/21/88/10/607218810.db2.gz UUPWGVJRSPQIFV-VIFPVBQESA-N -1 1 304.358 0.543 20 0 DCADMM CCC[C@H]1[C@H](C)CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821034576 607220190 /nfs/dbraw/zinc/22/01/90/607220190.db2.gz PIGWVCXOTSHDJJ-MNOVXSKESA-N -1 1 318.385 0.885 20 0 DCADMM CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821950484 607224817 /nfs/dbraw/zinc/22/48/17/607224817.db2.gz NRDTZJOQRKWPAB-GMSGAONNSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821950484 607224818 /nfs/dbraw/zinc/22/48/18/607224818.db2.gz NRDTZJOQRKWPAB-GMSGAONNSA-N -1 1 308.367 0.104 20 0 DCADMM Cc1ccc(O)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822258803 607233689 /nfs/dbraw/zinc/23/36/89/607233689.db2.gz DANXXMKHXIEGOO-UHFFFAOYSA-N -1 1 300.282 0.111 20 0 DCADMM CCN(CCS(C)(=O)=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825424626 607801308 /nfs/dbraw/zinc/80/13/08/607801308.db2.gz LXLBODAWVCDAPI-UHFFFAOYSA-N -1 1 310.383 0.128 20 0 DCADMM CCN(CCS(C)(=O)=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825424626 607801309 /nfs/dbraw/zinc/80/13/09/607801309.db2.gz LXLBODAWVCDAPI-UHFFFAOYSA-N -1 1 310.383 0.128 20 0 DCADMM Cn1cnc2cc(C(=O)n3ncc(-c4nn[n-]n4)c3N)ccc21 ZINC000826365475 607809769 /nfs/dbraw/zinc/80/97/69/607809769.db2.gz PHZKMDJYNDQKAS-UHFFFAOYSA-N -1 1 309.293 0.221 20 0 DCADMM C[C@@H]1COCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000825006245 607834805 /nfs/dbraw/zinc/83/48/05/607834805.db2.gz HBFAENFQRRQHHW-QMMMGPOBSA-N -1 1 306.330 0.100 20 0 DCADMM C[C@@H]1COCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000825006245 607834806 /nfs/dbraw/zinc/83/48/06/607834806.db2.gz HBFAENFQRRQHHW-QMMMGPOBSA-N -1 1 306.330 0.100 20 0 DCADMM Cc1ccc(OC[C@H](O)Cn2cnc(-c3nn[n-]n3)n2)c(C)c1 ZINC000826292144 607869260 /nfs/dbraw/zinc/86/92/60/607869260.db2.gz KBWVTQBCXXGMCH-LLVKDONJSA-N -1 1 315.337 0.515 20 0 DCADMM Cc1ccc(C)c(OC[C@H](O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826285084 607869279 /nfs/dbraw/zinc/86/92/79/607869279.db2.gz PFEXLVHFVFXICS-LLVKDONJSA-N -1 1 315.337 0.515 20 0 DCADMM Cn1ccnc1[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826364245 607913881 /nfs/dbraw/zinc/91/38/81/607913881.db2.gz PMWARIWRLBOBPW-LLVKDONJSA-N -1 1 324.348 0.625 20 0 DCADMM Cn1ccnc1[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826364245 607913882 /nfs/dbraw/zinc/91/38/82/607913882.db2.gz PMWARIWRLBOBPW-LLVKDONJSA-N -1 1 324.348 0.625 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H](O)C1CCOCC1 ZINC000826451118 607997642 /nfs/dbraw/zinc/99/76/42/607997642.db2.gz QUTQKMWYWZWXPF-GFCCVEGCSA-N -1 1 319.321 0.298 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H](O)C1CCOCC1 ZINC000826451119 607997675 /nfs/dbraw/zinc/99/76/75/607997675.db2.gz QUTQKMWYWZWXPF-LBPRGKRZSA-N -1 1 319.321 0.298 20 0 DCADMM C[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000824883437 608165777 /nfs/dbraw/zinc/16/57/77/608165777.db2.gz GZBVXODDCYGOSP-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000824883437 608165779 /nfs/dbraw/zinc/16/57/79/608165779.db2.gz GZBVXODDCYGOSP-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@]1(O)CCSC1 ZINC000826451127 608245027 /nfs/dbraw/zinc/24/50/27/608245027.db2.gz RAJLUEQWUUSMPG-LBPRGKRZSA-N -1 1 307.335 0.379 20 0 DCADMM CN(C)C(=O)c1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825850421 608396543 /nfs/dbraw/zinc/39/65/43/608396543.db2.gz QAQLHUPTYAQFOU-UHFFFAOYSA-N -1 1 324.348 0.971 20 0 DCADMM CN(C)C(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825850421 608396544 /nfs/dbraw/zinc/39/65/44/608396544.db2.gz QAQLHUPTYAQFOU-UHFFFAOYSA-N -1 1 324.348 0.971 20 0 DCADMM COc1ccccc1[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826218482 608398587 /nfs/dbraw/zinc/39/85/87/608398587.db2.gz DDGFTDQHLHMOLF-LLVKDONJSA-N -1 1 313.321 0.811 20 0 DCADMM COc1ccccc1[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826218482 608398588 /nfs/dbraw/zinc/39/85/88/608398588.db2.gz DDGFTDQHLHMOLF-LLVKDONJSA-N -1 1 313.321 0.811 20 0 DCADMM CNc1cc2c(nn1)CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000826090736 608414321 /nfs/dbraw/zinc/41/43/21/608414321.db2.gz NDKAIOOTGNWVHL-UHFFFAOYSA-N -1 1 310.325 0.051 20 0 DCADMM CNc1cc2c(nn1)CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000826090736 608414323 /nfs/dbraw/zinc/41/43/23/608414323.db2.gz NDKAIOOTGNWVHL-UHFFFAOYSA-N -1 1 310.325 0.051 20 0 DCADMM CCc1nc2n(n1)CCC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825749743 608430317 /nfs/dbraw/zinc/43/03/17/608430317.db2.gz HDHVBKCCRHQIBL-SECBINFHSA-N -1 1 312.341 0.758 20 0 DCADMM CCc1nc2n(n1)CCC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825749743 608430318 /nfs/dbraw/zinc/43/03/18/608430318.db2.gz HDHVBKCCRHQIBL-SECBINFHSA-N -1 1 312.341 0.758 20 0 DCADMM c1cc(CO[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)ccn1 ZINC000826516633 608436469 /nfs/dbraw/zinc/43/64/69/608436469.db2.gz UCLMFKVSCXULDF-GFCCVEGCSA-N -1 1 324.348 0.847 20 0 DCADMM c1cc(CO[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)ccn1 ZINC000826516633 608436471 /nfs/dbraw/zinc/43/64/71/608436471.db2.gz UCLMFKVSCXULDF-GFCCVEGCSA-N -1 1 324.348 0.847 20 0 DCADMM c1cc(N2CCC[C@H]([C@@H]3CCOC3)C2)nnc1-c1nnn[n-]1 ZINC000826517373 608436529 /nfs/dbraw/zinc/43/65/29/608436529.db2.gz ZULHNNVZMOYOFA-WDEREUQCSA-N -1 1 301.354 0.910 20 0 DCADMM c1cc(N2CCC[C@H]([C@@H]3CCOC3)C2)nnc1-c1nn[n-]n1 ZINC000826517373 608436531 /nfs/dbraw/zinc/43/65/31/608436531.db2.gz ZULHNNVZMOYOFA-WDEREUQCSA-N -1 1 301.354 0.910 20 0 DCADMM CCCc1csc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000825348383 608489847 /nfs/dbraw/zinc/48/98/47/608489847.db2.gz IIGHELCLNZCRNN-UHFFFAOYSA-N -1 1 319.354 0.506 20 0 DCADMM COCCCNC(=O)CN(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826156622 608506877 /nfs/dbraw/zinc/50/68/77/608506877.db2.gz MIYXWMXBXHUUHG-UHFFFAOYSA-N -1 1 308.342 0.044 20 0 DCADMM COCCCNC(=O)CN(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826156622 608506878 /nfs/dbraw/zinc/50/68/78/608506878.db2.gz MIYXWMXBXHUUHG-UHFFFAOYSA-N -1 1 308.342 0.044 20 0 DCADMM CNC(=O)[C@@H]1CCCN(c2nc(-c3nn[n-]n3)ccc2C)C1 ZINC000826060475 608543803 /nfs/dbraw/zinc/54/38/03/608543803.db2.gz NEGBXSMPJIVDSC-SNVBAGLBSA-N -1 1 301.354 0.533 20 0 DCADMM C[C@@H](CS(C)(=O)=O)N(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000824448642 608700894 /nfs/dbraw/zinc/70/08/94/608700894.db2.gz JKGYMAGFFBEONG-QMMMGPOBSA-N -1 1 315.424 0.793 20 0 DCADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000824892628 608759938 /nfs/dbraw/zinc/75/99/38/608759938.db2.gz KYQDLJYOGOXYBE-RKDXNWHRSA-N -1 1 324.366 0.108 20 0 DCADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000824892628 608759940 /nfs/dbraw/zinc/75/99/40/608759940.db2.gz KYQDLJYOGOXYBE-RKDXNWHRSA-N -1 1 324.366 0.108 20 0 DCADMM O=C1OCC[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCN12 ZINC000826483313 608858123 /nfs/dbraw/zinc/85/81/23/608858123.db2.gz JHWBFJYRGKPZKN-SECBINFHSA-N -1 1 304.310 0.486 20 0 DCADMM O=C1OCC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCN12 ZINC000826483313 608858126 /nfs/dbraw/zinc/85/81/26/608858126.db2.gz JHWBFJYRGKPZKN-SECBINFHSA-N -1 1 304.310 0.486 20 0 DCADMM CCOC(=O)[C@]1(CCn2ccnc2-c2nnn[n-]2)CCCC1=O ZINC000825494136 608891513 /nfs/dbraw/zinc/89/15/13/608891513.db2.gz UDAQKMCMUOQZQU-AWEZNQCLSA-N -1 1 318.337 0.756 20 0 DCADMM CCOC(=O)[C@]1(CCn2ccnc2-c2nn[n-]n2)CCCC1=O ZINC000825494136 608891516 /nfs/dbraw/zinc/89/15/16/608891516.db2.gz UDAQKMCMUOQZQU-AWEZNQCLSA-N -1 1 318.337 0.756 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(O)c(Cl)c1 ZINC000826425534 609254379 /nfs/dbraw/zinc/25/43/79/609254379.db2.gz IIPPFHVPUHZROF-UHFFFAOYSA-N -1 1 320.700 0.456 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H]1F ZINC000824949610 609381615 /nfs/dbraw/zinc/38/16/15/609381615.db2.gz YGIUTJIFUJQMQC-VXNVDRBHSA-N -1 1 308.321 0.812 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H]1F ZINC000824949610 609381617 /nfs/dbraw/zinc/38/16/17/609381617.db2.gz YGIUTJIFUJQMQC-VXNVDRBHSA-N -1 1 308.321 0.812 20 0 DCADMM Cc1ccc(F)cc1C(=O)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826289727 609435916 /nfs/dbraw/zinc/43/59/16/609435916.db2.gz KWSOYGYXEVUPTL-UHFFFAOYSA-N -1 1 315.268 0.616 20 0 DCADMM CC[C@@](C)(CCO)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825043408 609471406 /nfs/dbraw/zinc/47/14/06/609471406.db2.gz HGFGLPUUBINZQI-ZDUSSCGKSA-N -1 1 308.342 0.373 20 0 DCADMM CC[C@@](C)(CCO)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825043408 609471408 /nfs/dbraw/zinc/47/14/08/609471408.db2.gz HGFGLPUUBINZQI-ZDUSSCGKSA-N -1 1 308.342 0.373 20 0 DCADMM Cc1ccncc1C=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826315697 609504732 /nfs/dbraw/zinc/50/47/32/609504732.db2.gz QFZPUSANPDFFAM-ARJAWSKDSA-N -1 1 310.321 0.956 20 0 DCADMM Cc1ccncc1C=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826315697 609504733 /nfs/dbraw/zinc/50/47/33/609504733.db2.gz QFZPUSANPDFFAM-ARJAWSKDSA-N -1 1 310.321 0.956 20 0 DCADMM CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000313929482 660432913 /nfs/dbraw/zinc/43/29/13/660432913.db2.gz ADGIPQJBLWGFBL-JTQLQIEISA-N -1 1 317.411 0.730 20 0 DCADMM O=C(NC[C@@H]1[C@H]2CN(Cc3ccon3)C[C@H]21)c1ncccc1[O-] ZINC000978044486 660473572 /nfs/dbraw/zinc/47/35/72/660473572.db2.gz DFNIYVPQJSGGNN-XYYAHUGASA-N -1 1 314.345 0.883 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)C2CCC2)CCO1 ZINC000979147682 660672836 /nfs/dbraw/zinc/67/28/36/660672836.db2.gz MGWQCBQMGUXYMV-ONGXEEELSA-N -1 1 309.370 0.016 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)C=C2CCC2)CCO1 ZINC000979275435 660700430 /nfs/dbraw/zinc/70/04/30/660700430.db2.gz PTJIMBDZLRIERQ-PWSUYJOCSA-N -1 1 321.381 0.326 20 0 DCADMM Cn1ncnc1CN1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027843697 660826573 /nfs/dbraw/zinc/82/65/73/660826573.db2.gz GATYGYSLMZOWMF-LLVKDONJSA-N -1 1 316.365 0.310 20 0 DCADMM Cc1cc[nH]c1C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001027855305 660845154 /nfs/dbraw/zinc/84/51/54/660845154.db2.gz BJFUQUWWCHPNAU-LLVKDONJSA-N -1 1 318.381 0.139 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)C3=CCCC3)CC2)nc1=O ZINC000980962898 661054038 /nfs/dbraw/zinc/05/40/38/661054038.db2.gz ONGOEPLSVOYQAR-UHFFFAOYSA-N -1 1 305.382 0.253 20 0 DCADMM CNC(=O)[C@@H](C)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000981026853 661067292 /nfs/dbraw/zinc/06/72/92/661067292.db2.gz NPDFRTQYQBKUKI-LLVKDONJSA-N -1 1 306.366 0.070 20 0 DCADMM CC(C)C(C)(C)C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000981236948 661111141 /nfs/dbraw/zinc/11/11/41/661111141.db2.gz NEQPIHJIOWIQPJ-UHFFFAOYSA-N -1 1 323.441 0.825 20 0 DCADMM CCCC(=O)N1CC2(C1)CCCN(Cc1nc(=O)n(C)[n-]1)C2 ZINC000981585570 661175457 /nfs/dbraw/zinc/17/54/57/661175457.db2.gz ZJXRMHDZYCNAQH-UHFFFAOYSA-N -1 1 307.398 0.333 20 0 DCADMM CC[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccnc1F ZINC000885383618 667672103 /nfs/dbraw/zinc/67/21/03/667672103.db2.gz ALINRVFKHNIJAG-IUCAKERBSA-N -1 1 303.359 0.802 20 0 DCADMM C[C@H]1C[C@H]1CC(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000981881898 661241156 /nfs/dbraw/zinc/24/11/56/661241156.db2.gz FJRCDSLKJPYASW-RYUDHWBXSA-N -1 1 307.398 0.189 20 0 DCADMM O=C(c1cccnc1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998401295 665449541 /nfs/dbraw/zinc/44/95/41/665449541.db2.gz ILZZGYMQEMSYAW-LLVKDONJSA-N -1 1 302.338 0.300 20 0 DCADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC000938936035 665450437 /nfs/dbraw/zinc/45/04/37/665450437.db2.gz NXIVUPSXAQOBHB-SNVBAGLBSA-N -1 1 316.317 0.762 20 0 DCADMM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866837567 657457360 /nfs/dbraw/zinc/45/73/60/657457360.db2.gz FFYBEBWUBYIFMA-SECBINFHSA-N -1 1 315.317 0.878 20 0 DCADMM C[C@H](NC(=O)C1CCCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969193251 657548822 /nfs/dbraw/zinc/54/88/22/657548822.db2.gz WCMMUFRHQBPVFV-JTQLQIEISA-N -1 1 307.398 0.235 20 0 DCADMM CO[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001021442625 657803221 /nfs/dbraw/zinc/80/32/21/657803221.db2.gz RLIOJRVBQDCJDS-GRYCIOLGSA-N -1 1 319.361 0.495 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2cn(C)nn2)C1 ZINC000969543331 657969286 /nfs/dbraw/zinc/96/92/86/657969286.db2.gz MDDRLLPJDKPFBQ-SNVBAGLBSA-N -1 1 316.365 0.166 20 0 DCADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998840492 665539206 /nfs/dbraw/zinc/53/92/06/665539206.db2.gz IADCBBVRORRKOX-MEWQQHAOSA-N -1 1 305.382 0.637 20 0 DCADMM COC(=O)c1ccc(S(=O)(=O)[N-]N=c2nccc[nH]2)s1 ZINC000048653814 658056366 /nfs/dbraw/zinc/05/63/66/658056366.db2.gz ZMZNTPQNWBUIFF-UHFFFAOYSA-N -1 1 314.348 0.630 20 0 DCADMM CCC(=O)N1CC[C@H](N(C)Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000970908406 658057574 /nfs/dbraw/zinc/05/75/74/658057574.db2.gz PSFHMQHMIIZEFU-LBPRGKRZSA-N -1 1 303.366 0.465 20 0 DCADMM Cn1cc([C@H](O)C[N-]S(=O)(=O)c2ccc(C(F)F)o2)cn1 ZINC000866872085 658154063 /nfs/dbraw/zinc/15/40/63/658154063.db2.gz GROIJTXSDAMDEE-MRVPVSSYSA-N -1 1 321.305 0.963 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000971060277 658234591 /nfs/dbraw/zinc/23/45/91/658234591.db2.gz JVJREYPUWZLNPB-QWHCGFSZSA-N -1 1 319.409 0.497 20 0 DCADMM CCOC(=O)N1CCCN(c2cc(=O)[n-]c(COC)n2)CC1 ZINC000892158659 658242795 /nfs/dbraw/zinc/24/27/95/658242795.db2.gz DQMRUNJGWVRRHG-UHFFFAOYSA-N -1 1 310.354 0.997 20 0 DCADMM O=C(c1conc1C1CC1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000969914187 658256523 /nfs/dbraw/zinc/25/65/23/658256523.db2.gz YYWOJDVGLKTPRV-SECBINFHSA-N -1 1 318.337 0.380 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC000972117040 658326511 /nfs/dbraw/zinc/32/65/11/658326511.db2.gz RNCTXOZZDNGHCE-NEPJUHHUSA-N -1 1 321.425 0.577 20 0 DCADMM Nc1nc([O-])c(CC(=O)NCCc2ccc(F)cc2F)s1 ZINC000080217961 658430334 /nfs/dbraw/zinc/43/03/34/658430334.db2.gz JPTYPFFMGDGZSZ-JTQLQIEISA-N -1 1 313.329 0.970 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC000971266196 658458318 /nfs/dbraw/zinc/45/83/18/658458318.db2.gz GVZXDCXJGVJAQE-BTDICHCPSA-N -1 1 305.382 0.107 20 0 DCADMM CC(C)C1(C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)CC1 ZINC000972288700 658525306 /nfs/dbraw/zinc/52/53/06/658525306.db2.gz OTUWUGUNINLHSL-GFCCVEGCSA-N -1 1 321.425 0.577 20 0 DCADMM CN(Cc1cnns1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971398046 658589576 /nfs/dbraw/zinc/58/95/76/658589576.db2.gz UCXIDTAPIHHIFH-SNVBAGLBSA-N -1 1 319.390 0.985 20 0 DCADMM Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN1CC(=O)[N-]C1=O ZINC000070902539 658633493 /nfs/dbraw/zinc/63/34/93/658633493.db2.gz SGJWJTVHYLMKLY-MRVPVSSYSA-N -1 1 311.725 0.999 20 0 DCADMM CC(C)[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1 ZINC001032662582 665597210 /nfs/dbraw/zinc/59/72/10/665597210.db2.gz NWAIRCHLKICAQJ-SRVKXCTJSA-N -1 1 307.398 0.186 20 0 DCADMM O=C(NC[C@H]1CCN1C(=O)c1csnn1)c1ncccc1[O-] ZINC000949542150 658819255 /nfs/dbraw/zinc/81/92/55/658819255.db2.gz XTWONBWLUZQMGS-MRVPVSSYSA-N -1 1 319.346 0.283 20 0 DCADMM O=C(NC[C@@H]1CCN1C(=O)c1cnco1)c1ncccc1[O-] ZINC000949541971 658819534 /nfs/dbraw/zinc/81/95/34/658819534.db2.gz SWKAXAWRBUSYHA-VIFPVBQESA-N -1 1 302.290 0.420 20 0 DCADMM O=C([C@@H]1CCCCO1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024928657 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C[C@@H](CCNC(=O)C1CCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574598669 1163734155 /nfs/dbraw/zinc/73/41/55/1163734155.db2.gz WFFVSAHNYCBLFZ-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CCNC(=O)CC1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574604116 1163734464 /nfs/dbraw/zinc/73/44/64/1163734464.db2.gz WFGDTKCRAYTRJW-SECBINFHSA-N -1 1 316.369 0.185 20 0 DCADMM C[C@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)C(C)(C)C ZINC001574792706 1163753470 /nfs/dbraw/zinc/75/34/70/1163753470.db2.gz UUYUHCARGDVUIW-SECBINFHSA-N -1 1 318.385 0.644 20 0 DCADMM C[C@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)C(C)(C)C ZINC001574792706 1163753476 /nfs/dbraw/zinc/75/34/76/1163753476.db2.gz UUYUHCARGDVUIW-SECBINFHSA-N -1 1 318.385 0.644 20 0 DCADMM C[C@@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1C ZINC001574823292 1163760827 /nfs/dbraw/zinc/76/08/27/1163760827.db2.gz CNSUVPCMUHJZCA-KXUCPTDWSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1C ZINC001574823292 1163760830 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C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001575304060 1163968735 /nfs/dbraw/zinc/96/87/35/1163968735.db2.gz QTYAPKQAOSTUCD-LURJTMIESA-N -1 1 322.329 0.442 20 0 DCADMM C[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1csnn1 ZINC001575303576 1163968868 /nfs/dbraw/zinc/96/88/68/1163968868.db2.gz NUAAKANWHFHSPH-ZCFIWIBFSA-N -1 1 317.338 0.996 20 0 DCADMM C[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1csnn1 ZINC001575303576 1163968870 /nfs/dbraw/zinc/96/88/70/1163968870.db2.gz NUAAKANWHFHSPH-ZCFIWIBFSA-N -1 1 317.338 0.996 20 0 DCADMM CC(C)(O)CO[N-]C(=O)[C@@H](N)CC(=O)OCc1ccccc1 ZINC001575388580 1163996737 /nfs/dbraw/zinc/99/67/37/1163996737.db2.gz ZIDGBQCVVOYAMM-LBPRGKRZSA-N -1 1 310.350 0.266 20 0 DCADMM C[C@@]1(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCC(=O)N1 ZINC001575778700 1164146427 /nfs/dbraw/zinc/14/64/27/1164146427.db2.gz AANFNFPKTZYOLR-ZDUSSCGKSA-N -1 1 316.325 0.052 20 0 DCADMM C[C@@]1(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCC(=O)N1 ZINC001575778700 1164146430 /nfs/dbraw/zinc/14/64/30/1164146430.db2.gz AANFNFPKTZYOLR-ZDUSSCGKSA-N -1 1 316.325 0.052 20 0 DCADMM C[C@H]1CC[C@H](CC(=O)NCCCNC(=O)c2ncccc2[O-])O1 ZINC001575794929 1164154758 /nfs/dbraw/zinc/15/47/58/1164154758.db2.gz MNIHEUSSBKRBRN-NWDGAFQWSA-N -1 1 321.377 0.981 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576076397 1164230771 /nfs/dbraw/zinc/23/07/71/1164230771.db2.gz KMAYDJWVQFCLKP-ZJUUUORDSA-N -1 1 316.369 0.207 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576085481 1164237288 /nfs/dbraw/zinc/23/72/88/1164237288.db2.gz NZRRHRFLAMPCFH-AATLWQCWSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576085481 1164237294 /nfs/dbraw/zinc/23/72/94/1164237294.db2.gz NZRRHRFLAMPCFH-AATLWQCWSA-N -1 1 314.353 0.372 20 0 DCADMM CCC(=O)N(CC)CCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576412281 1164331895 /nfs/dbraw/zinc/33/18/95/1164331895.db2.gz UIZFAZULWLURIE-UHFFFAOYSA-N -1 1 318.385 0.890 20 0 DCADMM CCC(=O)N(CC)CCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576412281 1164331901 /nfs/dbraw/zinc/33/19/01/1164331901.db2.gz UIZFAZULWLURIE-UHFFFAOYSA-N -1 1 318.385 0.890 20 0 DCADMM CCC(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576412404 1164332335 /nfs/dbraw/zinc/33/23/35/1164332335.db2.gz WPVDONLBGKRQCI-UHFFFAOYSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576412404 1164332338 /nfs/dbraw/zinc/33/23/38/1164332338.db2.gz WPVDONLBGKRQCI-UHFFFAOYSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576414700 1164334889 /nfs/dbraw/zinc/33/48/89/1164334889.db2.gz DBUXUMBKAHHBDF-ZJUUUORDSA-N -1 1 316.369 0.138 20 0 DCADMM CCC(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001576420680 1164337651 /nfs/dbraw/zinc/33/76/51/1164337651.db2.gz ANTTYCMXBSAKSY-VHSXEESVSA-N -1 1 314.353 0.104 20 0 DCADMM CCC(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001576420680 1164337657 /nfs/dbraw/zinc/33/76/57/1164337657.db2.gz ANTTYCMXBSAKSY-VHSXEESVSA-N -1 1 314.353 0.104 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576420016 1164338037 /nfs/dbraw/zinc/33/80/37/1164338037.db2.gz FDGYCQQTJQFZOB-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576420016 1164338046 /nfs/dbraw/zinc/33/80/46/1164338046.db2.gz FDGYCQQTJQFZOB-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001576430148 1164340230 /nfs/dbraw/zinc/34/02/30/1164340230.db2.gz UHLMGBYEUFYDIU-ZJUUUORDSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001576430148 1164340239 /nfs/dbraw/zinc/34/02/39/1164340239.db2.gz UHLMGBYEUFYDIU-ZJUUUORDSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001576430147 1164340457 /nfs/dbraw/zinc/34/04/57/1164340457.db2.gz UHLMGBYEUFYDIU-VHSXEESVSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001576430147 1164340462 /nfs/dbraw/zinc/34/04/62/1164340462.db2.gz UHLMGBYEUFYDIU-VHSXEESVSA-N -1 1 316.369 0.776 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001576441217 1164345115 /nfs/dbraw/zinc/34/51/15/1164345115.db2.gz VFDDOHKRBVORTG-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001576441217 1164345120 /nfs/dbraw/zinc/34/51/20/1164345120.db2.gz VFDDOHKRBVORTG-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576444485 1164346910 /nfs/dbraw/zinc/34/69/10/1164346910.db2.gz IOLIRFRCEXHBES-ZJUUUORDSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576444485 1164346917 /nfs/dbraw/zinc/34/69/17/1164346917.db2.gz IOLIRFRCEXHBES-ZJUUUORDSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1CC ZINC001576477819 1164357645 /nfs/dbraw/zinc/35/76/45/1164357645.db2.gz RQBYHDQLAZQXLV-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1CC ZINC001576477819 1164357647 /nfs/dbraw/zinc/35/76/47/1164357647.db2.gz RQBYHDQLAZQXLV-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1C[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576477800 1164357794 /nfs/dbraw/zinc/35/77/94/1164357794.db2.gz QMNWCGYCBAVTBG-MGCOHNPYSA-N -1 1 316.369 0.682 20 0 DCADMM CCC(=O)N[C@H]1C[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001576477800 1164357796 /nfs/dbraw/zinc/35/77/96/1164357796.db2.gz QMNWCGYCBAVTBG-MGCOHNPYSA-N -1 1 316.369 0.682 20 0 DCADMM CC[C@H](C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576565877 1164394970 /nfs/dbraw/zinc/39/49/70/1164394970.db2.gz CSRKXMXGTZMGNF-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576565877 1164394978 /nfs/dbraw/zinc/39/49/78/1164394978.db2.gz CSRKXMXGTZMGNF-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576565882 1164397206 /nfs/dbraw/zinc/39/72/06/1164397206.db2.gz CSRKXMXGTZMGNF-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576565882 1164397214 /nfs/dbraw/zinc/39/72/14/1164397214.db2.gz CSRKXMXGTZMGNF-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@H](C)C(=O)NCCN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001576586378 1164406361 /nfs/dbraw/zinc/40/63/61/1164406361.db2.gz XRBVAZCJLHHRKA-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)C(=O)NCCN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001576586378 1164406368 /nfs/dbraw/zinc/40/63/68/1164406368.db2.gz XRBVAZCJLHHRKA-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001576589756 1164407153 /nfs/dbraw/zinc/40/71/53/1164407153.db2.gz NQVXIHNFMBHSSK-NXEZZACHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001576589756 1164407157 /nfs/dbraw/zinc/40/71/57/1164407157.db2.gz NQVXIHNFMBHSSK-NXEZZACHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001576605826 1164410537 /nfs/dbraw/zinc/41/05/37/1164410537.db2.gz NQVXIHNFMBHSSK-ZJUUUORDSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001576605826 1164410541 /nfs/dbraw/zinc/41/05/41/1164410541.db2.gz NQVXIHNFMBHSSK-ZJUUUORDSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@H](C)n1nccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001576692674 1164434802 /nfs/dbraw/zinc/43/48/02/1164434802.db2.gz XPOPPPLGJBVABN-ZETCQYMHSA-N -1 1 301.314 0.501 20 0 DCADMM CC[C@@H](C)C(=O)NC[C@H](CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576774393 1164460189 /nfs/dbraw/zinc/46/01/89/1164460189.db2.gz MIVONGIMXWTKBZ-ZJUUUORDSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@H](CNC(=O)[C@@H](F)CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576778455 1164461537 /nfs/dbraw/zinc/46/15/37/1164461537.db2.gz VDLQGLLMZYJJLD-BDAKNGLRSA-N -1 1 322.348 0.133 20 0 DCADMM CC[C@@H](CNC(=O)CC1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576804440 1164470392 /nfs/dbraw/zinc/47/03/92/1164470392.db2.gz SLGCVZRRDAIYQA-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](CNC(=O)CC1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576804440 1164470394 /nfs/dbraw/zinc/47/03/94/1164470394.db2.gz SLGCVZRRDAIYQA-JTQLQIEISA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001576939641 1164544622 /nfs/dbraw/zinc/54/46/22/1164544622.db2.gz GUCGSLYHFMIZSQ-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001576939641 1164544628 /nfs/dbraw/zinc/54/46/28/1164544628.db2.gz GUCGSLYHFMIZSQ-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576940857 1164547039 /nfs/dbraw/zinc/54/70/39/1164547039.db2.gz LPPDUNJUSCYJKT-RKDXNWHRSA-N -1 1 322.348 0.133 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576954875 1164554330 /nfs/dbraw/zinc/55/43/30/1164554330.db2.gz VRCJUBIPHYOIDH-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576954875 1164554338 /nfs/dbraw/zinc/55/43/38/1164554338.db2.gz VRCJUBIPHYOIDH-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCCN(CC)c1cnc(-c2nnn[n-]2)cn1 ZINC001576956379 1164555773 /nfs/dbraw/zinc/55/57/73/1164555773.db2.gz GAMDZPJVPXTIGE-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM CC[C@H](F)C(=O)NCCN(CC)c1cnc(-c2nn[n-]n2)cn1 ZINC001576956379 1164555802 /nfs/dbraw/zinc/55/58/02/1164555802.db2.gz GAMDZPJVPXTIGE-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM CCCC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577185680 1164627558 /nfs/dbraw/zinc/62/75/58/1164627558.db2.gz YZKUBENGZGDXRF-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577185680 1164627559 /nfs/dbraw/zinc/62/75/59/1164627559.db2.gz YZKUBENGZGDXRF-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001577200445 1164630750 /nfs/dbraw/zinc/63/07/50/1164630750.db2.gz UVSAREVMLFLTGK-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM CCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001577200445 1164630751 /nfs/dbraw/zinc/63/07/51/1164630751.db2.gz UVSAREVMLFLTGK-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM CCCC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577216610 1164638419 /nfs/dbraw/zinc/63/84/19/1164638419.db2.gz WJWJJFXCDNKYMN-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577216610 1164638422 /nfs/dbraw/zinc/63/84/22/1164638422.db2.gz WJWJJFXCDNKYMN-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCC[C@@H](C)C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577282592 1164659696 /nfs/dbraw/zinc/65/96/96/1164659696.db2.gz NLLHBBKJFLSBRX-NXEZZACHSA-N -1 1 318.385 0.431 20 0 DCADMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)CC1CC1 ZINC001578145835 1164937155 /nfs/dbraw/zinc/93/71/55/1164937155.db2.gz YBXVQEGKLFBIQK-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)CC1CC1 ZINC001578145835 1164937160 /nfs/dbraw/zinc/93/71/60/1164937160.db2.gz YBXVQEGKLFBIQK-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCOC(=O)c1cc(CNc2ccc(-c3nnn[n-]3)nn2)on1 ZINC001578252062 1164963146 /nfs/dbraw/zinc/96/31/46/1164963146.db2.gz HJSLIEAIRGLPOP-UHFFFAOYSA-N -1 1 316.281 0.434 20 0 DCADMM CCOC(=O)c1cc(CNc2ccc(-c3nn[n-]n3)nn2)on1 ZINC001578252062 1164963150 /nfs/dbraw/zinc/96/31/50/1164963150.db2.gz HJSLIEAIRGLPOP-UHFFFAOYSA-N -1 1 316.281 0.434 20 0 DCADMM CCc1nc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cs1 ZINC001578618495 1165070084 /nfs/dbraw/zinc/07/00/84/1165070084.db2.gz GWCUMODFCLVOQM-UHFFFAOYSA-N -1 1 318.366 0.800 20 0 DCADMM CCc1nc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cs1 ZINC001578618495 1165070087 /nfs/dbraw/zinc/07/00/87/1165070087.db2.gz GWCUMODFCLVOQM-UHFFFAOYSA-N -1 1 318.366 0.800 20 0 DCADMM CCc1nc(N[C@H](C)C[C@H](C)NC(C)=O)cc(-c2nnn[n-]2)n1 ZINC001578624225 1165072523 /nfs/dbraw/zinc/07/25/23/1165072523.db2.gz NDJHPWBMTYSLSV-DTWKUNHWSA-N -1 1 318.385 0.934 20 0 DCADMM CCc1nc(N[C@H](C)C[C@H](C)NC(C)=O)cc(-c2nn[n-]n2)n1 ZINC001578624225 1165072528 /nfs/dbraw/zinc/07/25/28/1165072528.db2.gz NDJHPWBMTYSLSV-DTWKUNHWSA-N -1 1 318.385 0.934 20 0 DCADMM CCc1nc(Nc2ccc(CC(N)=O)cc2)cc(-c2nnn[n-]2)n1 ZINC001578677284 1165085328 /nfs/dbraw/zinc/08/53/28/1165085328.db2.gz JYZORVBQZLMJAT-UHFFFAOYSA-N -1 1 324.348 0.991 20 0 DCADMM CCc1nc(Nc2ccc(CC(N)=O)cc2)cc(-c2nn[n-]n2)n1 ZINC001578677284 1165085337 /nfs/dbraw/zinc/08/53/37/1165085337.db2.gz JYZORVBQZLMJAT-UHFFFAOYSA-N -1 1 324.348 0.991 20 0 DCADMM CCc1nnsc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001578708147 1165087429 /nfs/dbraw/zinc/08/74/29/1165087429.db2.gz PUXMSIBMJOFQIP-UHFFFAOYSA-N -1 1 316.350 0.606 20 0 DCADMM CCc1nnsc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001578708147 1165087444 /nfs/dbraw/zinc/08/74/44/1165087444.db2.gz PUXMSIBMJOFQIP-UHFFFAOYSA-N -1 1 316.350 0.606 20 0 DCADMM CCn1cc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001578758173 1165097753 /nfs/dbraw/zinc/09/77/53/1165097753.db2.gz NULZQMSTQDWMPS-UHFFFAOYSA-N -1 1 313.325 0.800 20 0 DCADMM CCn1cc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001578758173 1165097762 /nfs/dbraw/zinc/09/77/62/1165097762.db2.gz NULZQMSTQDWMPS-UHFFFAOYSA-N -1 1 313.325 0.800 20 0 DCADMM CN(C(=O)C1CC1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001578848751 1165140028 /nfs/dbraw/zinc/14/00/28/1165140028.db2.gz QFRDHMYNJDWZMB-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM CN(C(=O)C1CC1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001578848751 1165140033 /nfs/dbraw/zinc/14/00/33/1165140033.db2.gz QFRDHMYNJDWZMB-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM CN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)C1=CCCC1 ZINC001579213250 1165240584 /nfs/dbraw/zinc/24/05/84/1165240584.db2.gz BNNSOILMVLAJCD-UHFFFAOYSA-N -1 1 314.353 0.059 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)CC1CCC1 ZINC001579225538 1165242243 /nfs/dbraw/zinc/24/22/43/1165242243.db2.gz TZVNAJASTXTXIA-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)CC1CCC1 ZINC001579225538 1165242249 /nfs/dbraw/zinc/24/22/49/1165242249.db2.gz TZVNAJASTXTXIA-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CNc1cnc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001579431381 1165307678 /nfs/dbraw/zinc/30/76/78/1165307678.db2.gz PBQQIYANFSFGDP-UHFFFAOYSA-N -1 1 316.350 0.690 20 0 DCADMM COC(=O)C1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001579444079 1165312734 /nfs/dbraw/zinc/31/27/34/1165312734.db2.gz XEVFPQOMVDTJME-UHFFFAOYSA-N -1 1 321.362 0.953 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001579468877 1165319638 /nfs/dbraw/zinc/31/96/38/1165319638.db2.gz GHTXEBVNWGNBGJ-APPZFPTMSA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579475009 1165324324 /nfs/dbraw/zinc/32/43/24/1165324324.db2.gz LRWVKJYMQXKANB-CLAHSXSESA-N -1 1 317.305 0.627 20 0 DCADMM COC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579475009 1165324328 /nfs/dbraw/zinc/32/43/28/1165324328.db2.gz LRWVKJYMQXKANB-CLAHSXSESA-N -1 1 317.305 0.627 20 0 DCADMM COC(=O)c1cc(Nc2cc(-c3nnn[n-]3)nc(C)n2)cn1C ZINC001579484269 1165327682 /nfs/dbraw/zinc/32/76/82/1165327682.db2.gz PAHILDBKLDQMPF-UHFFFAOYSA-N -1 1 314.309 0.834 20 0 DCADMM COC(=O)c1cc(Nc2cc(-c3nn[n-]n3)nc(C)n2)cn1C ZINC001579484269 1165327687 /nfs/dbraw/zinc/32/76/87/1165327687.db2.gz PAHILDBKLDQMPF-UHFFFAOYSA-N -1 1 314.309 0.834 20 0 DCADMM COC(=O)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)nc1 ZINC001579483740 1165328733 /nfs/dbraw/zinc/32/87/33/1165328733.db2.gz MXRFSQQLXYYQLP-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)nc1 ZINC001579483740 1165328739 /nfs/dbraw/zinc/32/87/39/1165328739.db2.gz MXRFSQQLXYYQLP-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1cncc(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001579490976 1165330523 /nfs/dbraw/zinc/33/05/23/1165330523.db2.gz DJPYLCJQGRKCOE-UHFFFAOYSA-N -1 1 313.277 0.417 20 0 DCADMM COC(=O)c1ncoc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001579491698 1165331047 /nfs/dbraw/zinc/33/10/47/1165331047.db2.gz PGECBADLWDRGCO-UHFFFAOYSA-N -1 1 318.249 0.164 20 0 DCADMM COC(=O)c1ncoc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579491698 1165331054 /nfs/dbraw/zinc/33/10/54/1165331054.db2.gz PGECBADLWDRGCO-UHFFFAOYSA-N -1 1 318.249 0.164 20 0 DCADMM COCC(C)(C)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001579658984 1165372924 /nfs/dbraw/zinc/37/29/24/1165372924.db2.gz ABZCDYUXFQLYCQ-UHFFFAOYSA-N -1 1 320.353 0.678 20 0 DCADMM COc1cc(C)nc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001579922504 1165439009 /nfs/dbraw/zinc/43/90/09/1165439009.db2.gz XLHYAWOLDPEHSM-UHFFFAOYSA-N -1 1 312.293 0.621 20 0 DCADMM COc1cc(C)nc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001579922504 1165439015 /nfs/dbraw/zinc/43/90/15/1165439015.db2.gz XLHYAWOLDPEHSM-UHFFFAOYSA-N -1 1 312.293 0.621 20 0 DCADMM COc1ccc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)cc1C ZINC001580032456 1165479188 /nfs/dbraw/zinc/47/91/88/1165479188.db2.gz FRULBNDUMALKTH-UHFFFAOYSA-N -1 1 314.305 0.494 20 0 DCADMM COc1ccc(OCCn2cnc(-c3nn[n-]n3)cc2=O)cc1 ZINC001580048532 1165486514 /nfs/dbraw/zinc/48/65/14/1165486514.db2.gz KKPDKQLYMHBEGA-UHFFFAOYSA-N -1 1 314.305 0.511 20 0 DCADMM COc1cncc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001580114415 1165508429 /nfs/dbraw/zinc/50/84/29/1165508429.db2.gz LVKHIHUVELETNU-UHFFFAOYSA-N -1 1 301.266 0.819 20 0 DCADMM COc1cncc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001580114415 1165508434 /nfs/dbraw/zinc/50/84/34/1165508434.db2.gz LVKHIHUVELETNU-UHFFFAOYSA-N -1 1 301.266 0.819 20 0 DCADMM COc1ncccc1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001580146818 1165519791 /nfs/dbraw/zinc/51/97/91/1165519791.db2.gz JQSHOMOIERMVAN-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ncccc1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001580146818 1165519798 /nfs/dbraw/zinc/51/97/98/1165519798.db2.gz JQSHOMOIERMVAN-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1nn(C)cc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580150794 1165520009 /nfs/dbraw/zinc/52/00/09/1165520009.db2.gz ZVUFZFBJMQHZFG-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1nn(C)cc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580150794 1165520014 /nfs/dbraw/zinc/52/00/14/1165520014.db2.gz ZVUFZFBJMQHZFG-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1nscc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001580153105 1165521314 /nfs/dbraw/zinc/52/13/14/1165521314.db2.gz UGSYELOZEKPDNM-UHFFFAOYSA-N -1 1 317.334 0.908 20 0 DCADMM COc1nscc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001580153105 1165521318 /nfs/dbraw/zinc/52/13/18/1165521318.db2.gz UGSYELOZEKPDNM-UHFFFAOYSA-N -1 1 317.334 0.908 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CCCC1 ZINC001580418643 1165597325 /nfs/dbraw/zinc/59/73/25/1165597325.db2.gz MTUWSSDOHMRVEO-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CCCC1 ZINC001580418643 1165597334 /nfs/dbraw/zinc/59/73/34/1165597334.db2.gz MTUWSSDOHMRVEO-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(F)c1-c1nn[nH]n1 ZINC001580462843 1165609681 /nfs/dbraw/zinc/60/96/81/1165609681.db2.gz YXFNPWDJBYWVQF-UHFFFAOYSA-N -1 1 303.257 0.995 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(C/C=C\c2ccccc2)c(=O)n1C ZINC001580522441 1165629726 /nfs/dbraw/zinc/62/97/26/1165629726.db2.gz PWRHNWVSHPJIPE-TWGQIWQCSA-N -1 1 324.344 0.749 20 0 DCADMM Cc1c[nH]c(=O)c(CNC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001580561527 1165640265 /nfs/dbraw/zinc/64/02/65/1165640265.db2.gz DMOUBHZPXMVSOP-UHFFFAOYSA-N -1 1 311.305 0.601 20 0 DCADMM Cc1c[nH]c(=O)c(CNC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001580561527 1165640267 /nfs/dbraw/zinc/64/02/67/1165640267.db2.gz DMOUBHZPXMVSOP-UHFFFAOYSA-N -1 1 311.305 0.601 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)C[C@H](O)C1CC1 ZINC001580596176 1165649421 /nfs/dbraw/zinc/64/94/21/1165649421.db2.gz PQJAPVWYOZWIPK-JTQLQIEISA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)CC(F)(F)F ZINC001580596716 1165650262 /nfs/dbraw/zinc/65/02/62/1165650262.db2.gz XUGKBBBNJQOUAT-UHFFFAOYSA-N -1 1 316.243 0.910 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@@H]1[C@@H](C)O ZINC001580596688 1165650307 /nfs/dbraw/zinc/65/03/07/1165650307.db2.gz DIGNHEYEWADOSB-PSASIEDQSA-N -1 1 318.337 0.261 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC001580598548 1165650537 /nfs/dbraw/zinc/65/05/37/1165650537.db2.gz YYFLRJNYRFVFQI-WPRPVWTQSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@]1(C)CCO[C@H]1C ZINC001580602297 1165652736 /nfs/dbraw/zinc/65/27/36/1165652736.db2.gz OYRDOUWPSFSUTO-RTHLEPHNSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCN(C)C(=O)C(C)C)n1 ZINC001580638539 1165669208 /nfs/dbraw/zinc/66/92/08/1165669208.db2.gz VIVYOBYBNLQTLR-UHFFFAOYSA-N -1 1 318.385 0.516 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCN(C)C(=O)C(C)C)n1 ZINC001580638539 1165669213 /nfs/dbraw/zinc/66/92/13/1165669213.db2.gz VIVYOBYBNLQTLR-UHFFFAOYSA-N -1 1 318.385 0.516 20 0 DCADMM Cc1cc(=O)c(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c[nH]1 ZINC001580766067 1165714900 /nfs/dbraw/zinc/71/49/00/1165714900.db2.gz NYVATWAWIHREFD-UHFFFAOYSA-N -1 1 317.334 0.250 20 0 DCADMM Cc1cc(=O)c(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c[nH]1 ZINC001580766067 1165714908 /nfs/dbraw/zinc/71/49/08/1165714908.db2.gz NYVATWAWIHREFD-UHFFFAOYSA-N -1 1 317.334 0.250 20 0 DCADMM Cc1ccc2nnc(CNc3nc(C)cc(-c4nnn[n-]4)n3)n2c1 ZINC001581216549 1165798750 /nfs/dbraw/zinc/79/87/50/1165798750.db2.gz WNQMRHGMZPCQEP-UHFFFAOYSA-N -1 1 322.336 0.928 20 0 DCADMM Cc1ccc2nnc(CNc3nc(C)cc(-c4nn[n-]n4)n3)n2c1 ZINC001581216549 1165798756 /nfs/dbraw/zinc/79/87/56/1165798756.db2.gz WNQMRHGMZPCQEP-UHFFFAOYSA-N -1 1 322.336 0.928 20 0 DCADMM Cc1ccccc1-c1noc(Cn2cc(-c3nn[n-]n3)nn2)n1 ZINC001581250983 1165805919 /nfs/dbraw/zinc/80/59/19/1165805919.db2.gz VPISZNFPBKUMTD-UHFFFAOYSA-N -1 1 309.293 0.865 20 0 DCADMM Cc1ccn2cc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)nc2c1 ZINC001581275358 1165809659 /nfs/dbraw/zinc/80/96/59/1165809659.db2.gz WKLHZOVDVQLHCW-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1ccn2cc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)nc2c1 ZINC001581275358 1165809674 /nfs/dbraw/zinc/80/96/74/1165809674.db2.gz WKLHZOVDVQLHCW-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1ncc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)s1 ZINC001581549505 1165840252 /nfs/dbraw/zinc/84/02/52/1165840252.db2.gz CXKUDUSEUDOGDD-UHFFFAOYSA-N -1 1 320.338 0.043 20 0 DCADMM Cc1nnc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)o1 ZINC001581609088 1165850062 /nfs/dbraw/zinc/85/00/62/1165850062.db2.gz ADGBVNYXIREEIQ-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[C@@H]([S@](C)=O)C1 ZINC001581726976 1165862210 /nfs/dbraw/zinc/86/22/10/1165862210.db2.gz CWRGBVMDXHYSNL-PIWWNVKXSA-N -1 1 323.378 0.798 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[C@@H]([S@](C)=O)C1 ZINC001581726976 1165862214 /nfs/dbraw/zinc/86/22/14/1165862214.db2.gz CWRGBVMDXHYSNL-PIWWNVKXSA-N -1 1 323.378 0.798 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CN2CCc3ccccc32)n1 ZINC001581753822 1165868282 /nfs/dbraw/zinc/86/82/82/1165868282.db2.gz UHRZUFURNHINMI-UHFFFAOYSA-N -1 1 324.348 0.601 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CN2CCc3ccccc32)n1 ZINC001581753822 1165868289 /nfs/dbraw/zinc/86/82/89/1165868289.db2.gz UHRZUFURNHINMI-UHFFFAOYSA-N -1 1 324.348 0.601 20 0 DCADMM Cn1cc(CCNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001581768847 1165869621 /nfs/dbraw/zinc/86/96/21/1165869621.db2.gz AYPAUDRAYDTIGN-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1cc(CCNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001581768847 1165869629 /nfs/dbraw/zinc/86/96/29/1165869629.db2.gz AYPAUDRAYDTIGN-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2noc3c2CCCC3)n1 ZINC001581754958 1165871688 /nfs/dbraw/zinc/87/16/88/1165871688.db2.gz WZRZNUKUMBLDNR-UHFFFAOYSA-N -1 1 314.309 0.719 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2noc3c2CCCC3)n1 ZINC001581754958 1165871694 /nfs/dbraw/zinc/87/16/94/1165871694.db2.gz WZRZNUKUMBLDNR-UHFFFAOYSA-N -1 1 314.309 0.719 20 0 DCADMM NC(=O)[C@@H](F)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001581886913 1165903603 /nfs/dbraw/zinc/90/36/03/1165903603.db2.gz LPNMLWZOAXMLLB-JTQLQIEISA-N -1 1 322.300 0.135 20 0 DCADMM NC(=O)[C@@H](F)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001581886913 1165903614 /nfs/dbraw/zinc/90/36/14/1165903614.db2.gz LPNMLWZOAXMLLB-JTQLQIEISA-N -1 1 322.300 0.135 20 0 DCADMM Nc1nnc([C@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)o1 ZINC001581911517 1165913747 /nfs/dbraw/zinc/91/37/47/1165913747.db2.gz WWSGIYFIKZKAMA-QMMMGPOBSA-N -1 1 313.325 0.611 20 0 DCADMM Nc1nnc([C@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)o1 ZINC001581911517 1165913752 /nfs/dbraw/zinc/91/37/52/1165913752.db2.gz WWSGIYFIKZKAMA-QMMMGPOBSA-N -1 1 313.325 0.611 20 0 DCADMM O=C(CCc1nccs1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582080089 1165950569 /nfs/dbraw/zinc/95/05/69/1165950569.db2.gz VUTXEAYLZRNOGC-UHFFFAOYSA-N -1 1 315.362 0.967 20 0 DCADMM O=C(CCc1nccs1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582080089 1165950581 /nfs/dbraw/zinc/95/05/81/1165950581.db2.gz VUTXEAYLZRNOGC-UHFFFAOYSA-N -1 1 315.362 0.967 20 0 DCADMM O=C(NCC1(CF)CCOCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001582380794 1166008732 /nfs/dbraw/zinc/00/87/32/1166008732.db2.gz DLYCROUMHOHKKV-UHFFFAOYSA-N -1 1 320.328 0.758 20 0 DCADMM O=C(NCC1(CF)CCOCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001582380794 1166008734 /nfs/dbraw/zinc/00/87/34/1166008734.db2.gz DLYCROUMHOHKKV-UHFFFAOYSA-N -1 1 320.328 0.758 20 0 DCADMM O=C(NCCCNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001582507050 1166029913 /nfs/dbraw/zinc/02/99/13/1166029913.db2.gz HYZUQXFESZNDDD-UHFFFAOYSA-N -1 1 316.369 0.187 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cccc(=O)[nH]1 ZINC001582551641 1166040243 /nfs/dbraw/zinc/04/02/43/1166040243.db2.gz VDQAWAXTDNHYAM-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ncc(Cl)cn1 ZINC001582554394 1166040715 /nfs/dbraw/zinc/04/07/15/1166040715.db2.gz GZTWOEQCDPVHOH-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ncc(Cl)cn1 ZINC001582554394 1166040723 /nfs/dbraw/zinc/04/07/23/1166040723.db2.gz GZTWOEQCDPVHOH-UHFFFAOYSA-N -1 1 316.712 0.635 20 0 DCADMM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582573563 1166048652 /nfs/dbraw/zinc/04/86/52/1166048652.db2.gz QUGYQNBGLBUXER-PWSUYJOCSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582573563 1166048659 /nfs/dbraw/zinc/04/86/59/1166048659.db2.gz QUGYQNBGLBUXER-PWSUYJOCSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H](O)CCc1ccccc1 ZINC001582629809 1166054948 /nfs/dbraw/zinc/05/49/48/1166054948.db2.gz BNINXZIAEDYIRU-NSHDSACASA-N -1 1 313.321 0.522 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H](O)CCc1ccccc1 ZINC001582629809 1166054952 /nfs/dbraw/zinc/05/49/52/1166054952.db2.gz BNINXZIAEDYIRU-NSHDSACASA-N -1 1 313.321 0.522 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc2c(n1)OCCO2 ZINC001582631958 1166057063 /nfs/dbraw/zinc/05/70/63/1166057063.db2.gz UKTHFLJGDBVLAK-UHFFFAOYSA-N -1 1 314.265 0.008 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc2c(n1)OCCO2 ZINC001582631958 1166057070 /nfs/dbraw/zinc/05/70/70/1166057070.db2.gz UKTHFLJGDBVLAK-UHFFFAOYSA-N -1 1 314.265 0.008 20 0 DCADMM O=C1C[C@@H](Oc2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)N1 ZINC001582760141 1166075720 /nfs/dbraw/zinc/07/57/20/1166075720.db2.gz LWZMWONQGTVRIK-LLVKDONJSA-N -1 1 324.304 0.625 20 0 DCADMM O=C1C[C@@H](Oc2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)N1 ZINC001582760141 1166075727 /nfs/dbraw/zinc/07/57/27/1166075727.db2.gz LWZMWONQGTVRIK-LLVKDONJSA-N -1 1 324.304 0.625 20 0 DCADMM O=C(C[C@H]1CCC(=O)NC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582765589 1166077237 /nfs/dbraw/zinc/07/72/37/1166077237.db2.gz HXIUYFSRTWZOFF-MRVPVSSYSA-N -1 1 320.378 0.461 20 0 DCADMM O=S(=O)(NCc1ccnc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001582797305 1166083472 /nfs/dbraw/zinc/08/34/72/1166083472.db2.gz JAJOLAOMJKEIFR-UHFFFAOYSA-N -1 1 317.334 0.135 20 0 DCADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccccc1F ZINC001582808950 1166087825 /nfs/dbraw/zinc/08/78/25/1166087825.db2.gz FFBXCBPDEKEOGX-SNVBAGLBSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccccc1F ZINC001582808950 1166087833 /nfs/dbraw/zinc/08/78/33/1166087833.db2.gz FFBXCBPDEKEOGX-SNVBAGLBSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1cccc(F)c1 ZINC001582809607 1166088264 /nfs/dbraw/zinc/08/82/64/1166088264.db2.gz LGJBAJKONMRXKJ-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1cccc(F)c1 ZINC001582809607 1166088268 /nfs/dbraw/zinc/08/82/68/1166088268.db2.gz LGJBAJKONMRXKJ-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@H](CNc1nccnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001582810419 1166092286 /nfs/dbraw/zinc/09/22/86/1166092286.db2.gz IETHEXSPUXUPSC-JTQLQIEISA-N -1 1 315.312 0.984 20 0 DCADMM OC[C@H](CNc1nccnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001582810419 1166092291 /nfs/dbraw/zinc/09/22/91/1166092291.db2.gz IETHEXSPUXUPSC-JTQLQIEISA-N -1 1 315.312 0.984 20 0 DCADMM OC[C@@H](Cc1ccc(F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001582810784 1166092327 /nfs/dbraw/zinc/09/23/27/1166092327.db2.gz SMVCCZZNCKEENM-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@@H](Cc1ccc(F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001582810784 1166092333 /nfs/dbraw/zinc/09/23/33/1166092333.db2.gz SMVCCZZNCKEENM-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H]1CC[C@@H]2CN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)C[C@H]12 ZINC001582813530 1166094456 /nfs/dbraw/zinc/09/44/56/1166094456.db2.gz MRJMZWCJPPMBAZ-JFGNBEQYSA-N -1 1 313.365 0.741 20 0 DCADMM O[C@@H]1CC[C@@H]2CN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)C[C@H]12 ZINC001582813530 1166094468 /nfs/dbraw/zinc/09/44/68/1166094468.db2.gz MRJMZWCJPPMBAZ-JFGNBEQYSA-N -1 1 313.365 0.741 20 0 DCADMM O=C(c1cc2ncccc2o1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001585183957 1166410990 /nfs/dbraw/zinc/41/09/90/1166410990.db2.gz YVNRGXMCIHJCGF-NSHDSACASA-N -1 1 300.278 0.555 20 0 DCADMM O=C(c1nccc2cccnc21)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001586805158 1166500456 /nfs/dbraw/zinc/50/04/56/1166500456.db2.gz LIZRBQSBBGMDHB-SNVBAGLBSA-N -1 1 311.305 0.357 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3Cc4cccnc4C3)nc2n1 ZINC001587188442 1166505765 /nfs/dbraw/zinc/50/57/65/1166505765.db2.gz SXYYQFLFZZKDSH-SNVBAGLBSA-N -1 1 324.344 0.729 20 0 DCADMM CC(=O)[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001588785826 1166589642 /nfs/dbraw/zinc/58/96/42/1166589642.db2.gz MZCUDFVXRUPWBD-CYBMUJFWSA-N -1 1 303.322 0.961 20 0 DCADMM CC(=O)[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001588785826 1166589646 /nfs/dbraw/zinc/58/96/46/1166589646.db2.gz MZCUDFVXRUPWBD-CYBMUJFWSA-N -1 1 303.322 0.961 20 0 DCADMM CC(=O)C[C@H](C)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001588785702 1166589693 /nfs/dbraw/zinc/58/96/93/1166589693.db2.gz HUHNGHLUBZZIAO-ZETCQYMHSA-N -1 1 304.310 0.373 20 0 DCADMM CC(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001588811098 1166593801 /nfs/dbraw/zinc/59/38/01/1166593801.db2.gz ZCKGUMQQWJJCPD-UHFFFAOYSA-N -1 1 302.342 0.470 20 0 DCADMM CC(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001588811098 1166593809 /nfs/dbraw/zinc/59/38/09/1166593809.db2.gz ZCKGUMQQWJJCPD-UHFFFAOYSA-N -1 1 302.342 0.470 20 0 DCADMM CC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588812090 1166595756 /nfs/dbraw/zinc/59/57/56/1166595756.db2.gz KAXVURMMROALGF-MWLCHTKSSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588812090 1166595759 /nfs/dbraw/zinc/59/57/59/1166595759.db2.gz KAXVURMMROALGF-MWLCHTKSSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CCC(C)(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588811058 1166595767 /nfs/dbraw/zinc/59/57/67/1166595767.db2.gz XFUPUCZRVNJBEN-UHFFFAOYSA-N -1 1 316.369 0.778 20 0 DCADMM CC(=O)N1CCC(C)(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588811058 1166595773 /nfs/dbraw/zinc/59/57/73/1166595773.db2.gz XFUPUCZRVNJBEN-UHFFFAOYSA-N -1 1 316.369 0.778 20 0 DCADMM CC(=O)N1CC[C@@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588810980 1166595855 /nfs/dbraw/zinc/59/58/55/1166595855.db2.gz SKKPLJCYYOUHBJ-LLVKDONJSA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)N1CC[C@@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588810980 1166595859 /nfs/dbraw/zinc/59/58/59/1166595859.db2.gz SKKPLJCYYOUHBJ-LLVKDONJSA-N -1 1 316.369 0.636 20 0 DCADMM CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588815866 1166596954 /nfs/dbraw/zinc/59/69/54/1166596954.db2.gz GQVXJIAHEZMTJL-JOYOIKCWSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588815866 1166596957 /nfs/dbraw/zinc/59/69/57/1166596957.db2.gz GQVXJIAHEZMTJL-JOYOIKCWSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)NCC(C)(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588851490 1166608376 /nfs/dbraw/zinc/60/83/76/1166608376.db2.gz BCGUZUSDWATKOV-UHFFFAOYSA-N -1 1 323.382 0.102 20 0 DCADMM CC(=O)NCC(C)(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001588851490 1166608382 /nfs/dbraw/zinc/60/83/82/1166608382.db2.gz BCGUZUSDWATKOV-UHFFFAOYSA-N -1 1 323.382 0.102 20 0 DCADMM C[C@H](C(=O)N1CC[C@H]1C1CCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951643 1166622331 /nfs/dbraw/zinc/62/23/31/1166622331.db2.gz IIEIIBXOQBIQEA-KOLCDFICSA-N -1 1 316.369 0.810 20 0 DCADMM C[C@@H](C(=O)NC1CCCCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588973521 1166623241 /nfs/dbraw/zinc/62/32/41/1166623241.db2.gz RROOIMPDMUIKNV-VIFPVBQESA-N -1 1 304.358 0.858 20 0 DCADMM C[C@H](C(=O)NC[C@]1(C)CCCS1)n1cnc(-c2nn[n-]n2)n1 ZINC001588978814 1166623776 /nfs/dbraw/zinc/62/37/76/1166623776.db2.gz OTJVSIAVSJOIPF-PELKAZGASA-N -1 1 322.398 0.421 20 0 DCADMM C[C@@H](C(=O)Nc1cc2ccccn2n1)n1cnc(-c2nn[n-]n2)n1 ZINC001589011862 1166627568 /nfs/dbraw/zinc/62/75/68/1166627568.db2.gz PCFIUJUXDVLCNY-QMMMGPOBSA-N -1 1 324.308 0.306 20 0 DCADMM C[C@@H](C(=O)OCCOCC1CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029902 1166630279 /nfs/dbraw/zinc/63/02/79/1166630279.db2.gz IRIAMGYZKMHEGG-VIFPVBQESA-N -1 1 321.341 0.379 20 0 DCADMM CC(C)(C(=O)Cn1cnc(-c2nn[n-]n2)cc1=O)c1ccccc1 ZINC001589036200 1166630443 /nfs/dbraw/zinc/63/04/43/1166630443.db2.gz XZDXOHZUPXEHHI-UHFFFAOYSA-N -1 1 324.344 0.970 20 0 DCADMM C[C@H](C(=O)OC[C@@]1(C)CCCO1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028629 1166631516 /nfs/dbraw/zinc/63/15/16/1166631516.db2.gz XCVLIGGROOGOFD-PRHODGIISA-N -1 1 307.314 0.132 20 0 DCADMM CC(C)(C)OC(=O)CCCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589151489 1166637428 /nfs/dbraw/zinc/63/74/28/1166637428.db2.gz BFABJYMXXSWAMR-UHFFFAOYSA-N -1 1 321.341 0.798 20 0 DCADMM CC(C)C(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589401603 1166655427 /nfs/dbraw/zinc/65/54/27/1166655427.db2.gz RODIAHSWLCCSON-RKDXNWHRSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589401603 1166655434 /nfs/dbraw/zinc/65/54/34/1166655434.db2.gz RODIAHSWLCCSON-RKDXNWHRSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589404161 1166656585 /nfs/dbraw/zinc/65/65/85/1166656585.db2.gz LGBTWJTUWBEODH-VIFPVBQESA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)[C@@H](CO)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589460950 1166659188 /nfs/dbraw/zinc/65/91/88/1166659188.db2.gz SZAUVZOPPRVODA-SECBINFHSA-N -1 1 305.342 0.648 20 0 DCADMM CC(C)[C@@H](CO)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589460950 1166659192 /nfs/dbraw/zinc/65/91/92/1166659192.db2.gz SZAUVZOPPRVODA-SECBINFHSA-N -1 1 305.342 0.648 20 0 DCADMM CC(C)[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ncon1 ZINC001589472678 1166661006 /nfs/dbraw/zinc/66/10/06/1166661006.db2.gz RSVGCTXZAGWUNG-JTQLQIEISA-N -1 1 314.309 0.772 20 0 DCADMM CC(C)[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ncon1 ZINC001589472678 1166661012 /nfs/dbraw/zinc/66/10/12/1166661012.db2.gz RSVGCTXZAGWUNG-JTQLQIEISA-N -1 1 314.309 0.772 20 0 DCADMM CC(C)Cn1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cn1 ZINC001589670256 1166671892 /nfs/dbraw/zinc/67/18/92/1166671892.db2.gz FVWLWRLCDYFGGD-UHFFFAOYSA-N -1 1 301.314 0.695 20 0 DCADMM CC(C)Cn1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cn1 ZINC001589670256 1166671899 /nfs/dbraw/zinc/67/18/99/1166671899.db2.gz FVWLWRLCDYFGGD-UHFFFAOYSA-N -1 1 301.314 0.695 20 0 DCADMM CC(C)N1CC[C@@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C1=O ZINC001589712700 1166673493 /nfs/dbraw/zinc/67/34/93/1166673493.db2.gz ZVRGIJVGSYRRDX-SECBINFHSA-N -1 1 320.378 0.667 20 0 DCADMM CC(C)NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589719691 1166676940 /nfs/dbraw/zinc/67/69/40/1166676940.db2.gz DNIMNBWBLXQKDL-MRVPVSSYSA-N -1 1 304.310 0.332 20 0 DCADMM CC(C)NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589719691 1166676943 /nfs/dbraw/zinc/67/69/43/1166676943.db2.gz DNIMNBWBLXQKDL-MRVPVSSYSA-N -1 1 304.310 0.332 20 0 DCADMM CC(C)NS(=O)(=O)CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001589727886 1166679119 /nfs/dbraw/zinc/67/91/19/1166679119.db2.gz ROSIELPAISQZJY-UHFFFAOYSA-N -1 1 311.371 0.001 20 0 DCADMM CC(C)NS(=O)(=O)CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001589727886 1166679122 /nfs/dbraw/zinc/67/91/22/1166679122.db2.gz ROSIELPAISQZJY-UHFFFAOYSA-N -1 1 311.371 0.001 20 0 DCADMM CC(C)OC[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001589746007 1166681489 /nfs/dbraw/zinc/68/14/89/1166681489.db2.gz GNVWKTCSZRRJGM-CYBMUJFWSA-N -1 1 318.381 0.888 20 0 DCADMM CC(C)OC(=O)[C@H](C)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589735987 1166681764 /nfs/dbraw/zinc/68/17/64/1166681764.db2.gz LPEAQJCQWHIIFE-VIFPVBQESA-N -1 1 318.337 0.261 20 0 DCADMM CC(C)OC(=O)[C@H](C)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589735987 1166681766 /nfs/dbraw/zinc/68/17/66/1166681766.db2.gz LPEAQJCQWHIIFE-VIFPVBQESA-N -1 1 318.337 0.261 20 0 DCADMM CC(C)S(=O)(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589759537 1166683759 /nfs/dbraw/zinc/68/37/59/1166683759.db2.gz XEYLHWVXIYFRCY-UHFFFAOYSA-N -1 1 313.339 0.013 20 0 DCADMM CC(C)S(=O)(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589759537 1166683762 /nfs/dbraw/zinc/68/37/62/1166683762.db2.gz XEYLHWVXIYFRCY-UHFFFAOYSA-N -1 1 313.339 0.013 20 0 DCADMM CC(C)n1cnnc1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589784753 1166686321 /nfs/dbraw/zinc/68/63/21/1166686321.db2.gz KNOQSFZEKXFDRN-UHFFFAOYSA-N -1 1 313.325 0.364 20 0 DCADMM CC(C)n1cnnc1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589784753 1166686322 /nfs/dbraw/zinc/68/63/22/1166686322.db2.gz KNOQSFZEKXFDRN-UHFFFAOYSA-N -1 1 313.325 0.364 20 0 DCADMM CC(C)c1nc(CCNc2nccnc2-c2nnn[n-]2)n(C)n1 ZINC001589775688 1166686952 /nfs/dbraw/zinc/68/69/52/1166686952.db2.gz KIIPTLRWXZZTEV-UHFFFAOYSA-N -1 1 314.357 0.563 20 0 DCADMM CC(C)c1nc(CCNc2nccnc2-c2nn[n-]n2)n(C)n1 ZINC001589775688 1166686956 /nfs/dbraw/zinc/68/69/56/1166686956.db2.gz KIIPTLRWXZZTEV-UHFFFAOYSA-N -1 1 314.357 0.563 20 0 DCADMM C[C@@H](CC(N)=O)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589800517 1166689942 /nfs/dbraw/zinc/68/99/42/1166689942.db2.gz YAMCQFZTJCXXAX-LURJTMIESA-N -1 1 324.291 0.273 20 0 DCADMM C[C@@H](CC(N)=O)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589800517 1166689948 /nfs/dbraw/zinc/68/99/48/1166689948.db2.gz YAMCQFZTJCXXAX-LURJTMIESA-N -1 1 324.291 0.273 20 0 DCADMM C[C@H](CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[S@@](C)=O ZINC001589824036 1166693288 /nfs/dbraw/zinc/69/32/88/1166693288.db2.gz OBCHNFLSHQVAFI-PVBMHHQDSA-N -1 1 322.394 0.078 20 0 DCADMM C[C@H](CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[S@@](C)=O ZINC001589824036 1166693291 /nfs/dbraw/zinc/69/32/91/1166693291.db2.gz OBCHNFLSHQVAFI-PVBMHHQDSA-N -1 1 322.394 0.078 20 0 DCADMM C[C@@H](CCNC(=O)c1ccnc(-c2nnn[n-]2)c1)[S@@](C)=O ZINC001589826292 1166694207 /nfs/dbraw/zinc/69/42/07/1166694207.db2.gz RQDYCBBSEMVLKV-HXNGOWOSSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@@H](CCNC(=O)c1ccnc(-c2nn[n-]n2)c1)[S@@](C)=O ZINC001589826292 1166694213 /nfs/dbraw/zinc/69/42/13/1166694213.db2.gz RQDYCBBSEMVLKV-HXNGOWOSSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589883022 1166704918 /nfs/dbraw/zinc/70/49/18/1166704918.db2.gz BDRBTQQILKQDDS-DTWKUNHWSA-N -1 1 307.310 0.384 20 0 DCADMM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589883022 1166704923 /nfs/dbraw/zinc/70/49/23/1166704923.db2.gz BDRBTQQILKQDDS-DTWKUNHWSA-N -1 1 307.310 0.384 20 0 DCADMM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccsc1 ZINC001589977991 1166736052 /nfs/dbraw/zinc/73/60/52/1166736052.db2.gz DCKCGOVUWGKMEH-ZCFIWIBFSA-N -1 1 319.350 0.901 20 0 DCADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)C(=O)NCc1ccco1 ZINC001589986191 1166737480 /nfs/dbraw/zinc/73/74/80/1166737480.db2.gz ZWNLPJQABCELOV-VIFPVBQESA-N -1 1 313.321 0.393 20 0 DCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)C(=O)NCc1ccco1 ZINC001589986191 1166737486 /nfs/dbraw/zinc/73/74/86/1166737486.db2.gz ZWNLPJQABCELOV-VIFPVBQESA-N -1 1 313.321 0.393 20 0 DCADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(=O)N1CCCC[C@H]1C ZINC001589986512 1166738385 /nfs/dbraw/zinc/73/83/85/1166738385.db2.gz KEMHMEGECXWECW-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(=O)N1CCCC[C@H]1C ZINC001589986512 1166738391 /nfs/dbraw/zinc/73/83/91/1166738391.db2.gz KEMHMEGECXWECW-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@@H](O)CC(C)(C)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589996178 1166742848 /nfs/dbraw/zinc/74/28/48/1166742848.db2.gz QHVMAZGSNGARSZ-SNVBAGLBSA-N -1 1 318.381 0.718 20 0 DCADMM C[C@@H](O)CC(C)(C)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589996178 1166742855 /nfs/dbraw/zinc/74/28/55/1166742855.db2.gz QHVMAZGSNGARSZ-SNVBAGLBSA-N -1 1 318.381 0.718 20 0 DCADMM C[C@H](O)[C@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589997228 1166743561 /nfs/dbraw/zinc/74/35/61/1166743561.db2.gz VRKRJCRLZAMDEO-JQWIXIFHSA-N -1 1 316.365 0.424 20 0 DCADMM C[C@H](O)[C@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589997228 1166743568 /nfs/dbraw/zinc/74/35/68/1166743568.db2.gz VRKRJCRLZAMDEO-JQWIXIFHSA-N -1 1 316.365 0.424 20 0 DCADMM C[C@H](O)[C@H]1CCCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589998150 1166744824 /nfs/dbraw/zinc/74/48/24/1166744824.db2.gz WEYFRGMIIUDWNU-JOYOIKCWSA-N -1 1 302.338 0.637 20 0 DCADMM C[C@H](O)[C@H]1CCCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589998150 1166744828 /nfs/dbraw/zinc/74/48/28/1166744828.db2.gz WEYFRGMIIUDWNU-JOYOIKCWSA-N -1 1 302.338 0.637 20 0 DCADMM C[C@@H](O)CN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@@H](C)CO ZINC001590001540 1166747369 /nfs/dbraw/zinc/74/73/69/1166747369.db2.gz YEBVADVZZFRUBA-JGVFFNPUSA-N -1 1 311.367 0.132 20 0 DCADMM C[C@@H](O)CN(CCO)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590002076 1166750975 /nfs/dbraw/zinc/75/09/75/1166750975.db2.gz OVMIBFQWPZWXDV-RXMQYKEDSA-N -1 1 304.763 0.156 20 0 DCADMM C[C@]1(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)C=CCC1 ZINC001590070433 1166764109 /nfs/dbraw/zinc/76/41/09/1166764109.db2.gz XRAVLBSOOKYGGP-AWEZNQCLSA-N -1 1 314.353 0.541 20 0 DCADMM C[C@]1(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)C=CCC1 ZINC001590070433 1166764118 /nfs/dbraw/zinc/76/41/18/1166764118.db2.gz XRAVLBSOOKYGGP-AWEZNQCLSA-N -1 1 314.353 0.541 20 0 DCADMM CC1(C)CO[C@@H](CCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC001590110819 1166776340 /nfs/dbraw/zinc/77/63/40/1166776340.db2.gz IWFOJNSWAWOPEK-QMMMGPOBSA-N -1 1 305.342 0.881 20 0 DCADMM CC1(C)COC(=O)[C@@H]1OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590113688 1166778790 /nfs/dbraw/zinc/77/87/90/1166778790.db2.gz WIGXWAZCUXRAKV-VIFPVBQESA-N -1 1 303.278 0.370 20 0 DCADMM CC1(C)COC(=O)[C@@H]1OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590113688 1166778794 /nfs/dbraw/zinc/77/87/94/1166778794.db2.gz WIGXWAZCUXRAKV-VIFPVBQESA-N -1 1 303.278 0.370 20 0 DCADMM CC1(C)O[C@@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O1 ZINC001590117224 1166780351 /nfs/dbraw/zinc/78/03/51/1166780351.db2.gz IYWZKUMOJWMJTM-SLGCYQGISA-N -1 1 303.326 0.751 20 0 DCADMM CC1(C)O[C@@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O1 ZINC001590117224 1166780355 /nfs/dbraw/zinc/78/03/55/1166780355.db2.gz IYWZKUMOJWMJTM-SLGCYQGISA-N -1 1 303.326 0.751 20 0 DCADMM CC1(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)OCCCO1 ZINC001590132652 1166784867 /nfs/dbraw/zinc/78/48/67/1166784867.db2.gz VGRKAARRIAYOKK-UHFFFAOYSA-N -1 1 319.325 0.536 20 0 DCADMM CC1(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)OCCCO1 ZINC001590132652 1166784871 /nfs/dbraw/zinc/78/48/71/1166784871.db2.gz VGRKAARRIAYOKK-UHFFFAOYSA-N -1 1 319.325 0.536 20 0 DCADMM CC1(F)CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590141508 1166787180 /nfs/dbraw/zinc/78/71/80/1166787180.db2.gz GIEBFCVTNQMNEU-UHFFFAOYSA-N -1 1 303.344 0.661 20 0 DCADMM CC1(F)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001590141902 1166788541 /nfs/dbraw/zinc/78/85/41/1166788541.db2.gz PABNLBHEIJPCIR-UHFFFAOYSA-N -1 1 315.305 0.738 20 0 DCADMM CC1=CCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)CC1 ZINC001590162435 1166792162 /nfs/dbraw/zinc/79/21/62/1166792162.db2.gz VAQJFGZUAOGSDQ-UHFFFAOYSA-N -1 1 306.351 0.602 20 0 DCADMM C[C@H]1[C@H](CO)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590168249 1166797612 /nfs/dbraw/zinc/79/76/12/1166797612.db2.gz JWEHCJDYQDQHEU-ONGXEEELSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1[C@H](CO)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590168249 1166797619 /nfs/dbraw/zinc/79/76/19/1166797619.db2.gz JWEHCJDYQDQHEU-ONGXEEELSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@@H]1[C@@H](CO)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590168247 1166798517 /nfs/dbraw/zinc/79/85/17/1166798517.db2.gz JWEHCJDYQDQHEU-MWLCHTKSSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@@H]1[C@@H](CO)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590168247 1166798526 /nfs/dbraw/zinc/79/85/26/1166798526.db2.gz JWEHCJDYQDQHEU-MWLCHTKSSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1CC[C@H](C(=O)NCCNc2nccnc2-c2nnn[n-]2)C1 ZINC001590223709 1166819896 /nfs/dbraw/zinc/81/98/96/1166819896.db2.gz PGNMLCHHHKQPBA-UWVGGRQHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H]1CC[C@H](C(=O)NCCNc2nccnc2-c2nn[n-]n2)C1 ZINC001590223709 1166819899 /nfs/dbraw/zinc/81/98/99/1166819899.db2.gz PGNMLCHHHKQPBA-UWVGGRQHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H](C(=O)N1C[C@H](C)CC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590227323 1166820277 /nfs/dbraw/zinc/82/02/77/1166820277.db2.gz NAXHRTQQVXVHGL-OPRDCNLKSA-N -1 1 304.358 0.666 20 0 DCADMM C[C@H]1CC[C@@H](CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590232306 1166820809 /nfs/dbraw/zinc/82/08/09/1166820809.db2.gz VXLWPOCQBOIJCO-VHSXEESVSA-N -1 1 322.394 0.976 20 0 DCADMM C[C@H](C(=O)OC[C@@H]1CC[C@@H](C)O1)n1cnc(-c2nn[n-]n2)n1 ZINC001590231433 1166821893 /nfs/dbraw/zinc/82/18/93/1166821893.db2.gz QHOOXMLDGVIPBQ-HLTSFMKQSA-N -1 1 307.314 0.130 20 0 DCADMM C[C@H]1CCC[C@@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)O1 ZINC001590242886 1166825861 /nfs/dbraw/zinc/82/58/61/1166825861.db2.gz MQAVLZHGYATNEZ-IUCAKERBSA-N -1 1 320.357 0.679 20 0 DCADMM C[C@H]1CCC[C@@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)O1 ZINC001590242886 1166825871 /nfs/dbraw/zinc/82/58/71/1166825871.db2.gz MQAVLZHGYATNEZ-IUCAKERBSA-N -1 1 320.357 0.679 20 0 DCADMM C[C@@H]1CCC[C@@H]1CC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590252032 1166827289 /nfs/dbraw/zinc/82/72/89/1166827289.db2.gz YXWCDGBCWYESRL-NXEZZACHSA-N -1 1 304.358 0.401 20 0 DCADMM C[C@H]1CCC[C@H](C)N1C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001590242650 1166827757 /nfs/dbraw/zinc/82/77/57/1166827757.db2.gz HBCREYMRLBKNOS-QWRGUYRKSA-N -1 1 316.365 0.818 20 0 DCADMM C[C@@H]1CCC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001590256194 1166828042 /nfs/dbraw/zinc/82/80/42/1166828042.db2.gz XSXTUPIVUHGXBK-HTQZYQBOSA-N -1 1 305.342 0.657 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC001590268431 1166832497 /nfs/dbraw/zinc/83/24/97/1166832497.db2.gz XWPBFGXANNRHKQ-MRVPVSSYSA-N -1 1 306.330 0.243 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC001590268431 1166832499 /nfs/dbraw/zinc/83/24/99/1166832499.db2.gz XWPBFGXANNRHKQ-MRVPVSSYSA-N -1 1 306.330 0.243 20 0 DCADMM C[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@@H]1CO ZINC001590270534 1166833065 /nfs/dbraw/zinc/83/30/65/1166833065.db2.gz YUMUBROLFNHVLE-VHSXEESVSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@@H]1CO ZINC001590270534 1166833069 /nfs/dbraw/zinc/83/30/69/1166833069.db2.gz YUMUBROLFNHVLE-VHSXEESVSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590277362 1166837016 /nfs/dbraw/zinc/83/70/16/1166837016.db2.gz HQZCXYRGQVQZOR-IMTBSYHQSA-N -1 1 306.351 0.183 20 0 DCADMM C[C@@H]1CCNC(=O)[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590278622 1166841351 /nfs/dbraw/zinc/84/13/51/1166841351.db2.gz UBANCNVQFGIYSP-HZGVNTEJSA-N -1 1 307.745 0.852 20 0 DCADMM C[C@@H]1CCNC(=O)[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590278622 1166841363 /nfs/dbraw/zinc/84/13/63/1166841363.db2.gz UBANCNVQFGIYSP-HZGVNTEJSA-N -1 1 307.745 0.852 20 0 DCADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H](CO)O1 ZINC001590313602 1166857724 /nfs/dbraw/zinc/85/77/24/1166857724.db2.gz WIVLKNSUSUEINQ-SFYZADRCSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H](CO)O1 ZINC001590313602 1166857727 /nfs/dbraw/zinc/85/77/27/1166857727.db2.gz WIVLKNSUSUEINQ-SFYZADRCSA-N -1 1 310.745 0.501 20 0 DCADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](C)S1(=O)=O ZINC001590315465 1166858970 /nfs/dbraw/zinc/85/89/70/1166858970.db2.gz MKBJZERFSVPLKI-IUCAKERBSA-N -1 1 308.367 0.274 20 0 DCADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](C)S1(=O)=O ZINC001590315465 1166858972 /nfs/dbraw/zinc/85/89/72/1166858972.db2.gz MKBJZERFSVPLKI-IUCAKERBSA-N -1 1 308.367 0.274 20 0 DCADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H](C(F)(F)F)O1 ZINC001590316516 1166859931 /nfs/dbraw/zinc/85/99/31/1166859931.db2.gz SNQKAKAKXLFVEX-NKWVEPMBSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)C[C@]2(CCCOC2)O1 ZINC001590315560 1166861330 /nfs/dbraw/zinc/86/13/30/1166861330.db2.gz XIZQOGFMRKOIBE-YGRLFVJLSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)C[C@]2(CCCOC2)O1 ZINC001590315560 1166861333 /nfs/dbraw/zinc/86/13/33/1166861333.db2.gz XIZQOGFMRKOIBE-YGRLFVJLSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CO[C@H](C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)C1 ZINC001590322881 1166866034 /nfs/dbraw/zinc/86/60/34/1166866034.db2.gz VTWKMGXKLOFYBH-ZANVPECISA-N -1 1 314.349 0.966 20 0 DCADMM C[C@@H]1CO[C@H](C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)C1 ZINC001590322881 1166866041 /nfs/dbraw/zinc/86/60/41/1166866041.db2.gz VTWKMGXKLOFYBH-ZANVPECISA-N -1 1 314.349 0.966 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590342871 1166875997 /nfs/dbraw/zinc/87/59/97/1166875997.db2.gz KVHACRWFABVEAM-WTKPLQERSA-N -1 1 302.342 0.493 20 0 DCADMM C/C=C(/C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590342871 1166876001 /nfs/dbraw/zinc/87/60/01/1166876001.db2.gz KVHACRWFABVEAM-WTKPLQERSA-N -1 1 302.342 0.493 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590345308 1166878721 /nfs/dbraw/zinc/87/87/21/1166878721.db2.gz YVMSAYJQQMMIAS-WEVVVXLNSA-N -1 1 316.369 0.802 20 0 DCADMM C/C=C(\C)C(=O)N(C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590345308 1166878724 /nfs/dbraw/zinc/87/87/24/1166878724.db2.gz YVMSAYJQQMMIAS-WEVVVXLNSA-N -1 1 316.369 0.802 20 0 DCADMM C/C=C(\C)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001590348567 1166880257 /nfs/dbraw/zinc/88/02/57/1166880257.db2.gz UOILVPBOFHUIMJ-NAZIUFLLSA-N -1 1 316.369 0.564 20 0 DCADMM C/C=C(\C)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001590348567 1166880262 /nfs/dbraw/zinc/88/02/62/1166880262.db2.gz UOILVPBOFHUIMJ-NAZIUFLLSA-N -1 1 316.369 0.564 20 0 DCADMM CCC(=O)N1CC[C@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC001590361046 1166884181 /nfs/dbraw/zinc/88/41/81/1166884181.db2.gz LAMCBGRNZCWTOK-ZETCQYMHSA-N -1 1 321.366 0.520 20 0 DCADMM CCC(=O)N1CC[C@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC001590361046 1166884189 /nfs/dbraw/zinc/88/41/89/1166884189.db2.gz LAMCBGRNZCWTOK-ZETCQYMHSA-N -1 1 321.366 0.520 20 0 DCADMM CCC(C)(C)NC(=O)COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590377131 1166892564 /nfs/dbraw/zinc/89/25/64/1166892564.db2.gz SBTUBKIEAOHGGM-UHFFFAOYSA-N -1 1 307.310 0.921 20 0 DCADMM CCC(C)(C)NC(=O)COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590377131 1166892576 /nfs/dbraw/zinc/89/25/76/1166892576.db2.gz SBTUBKIEAOHGGM-UHFFFAOYSA-N -1 1 307.310 0.921 20 0 DCADMM CC[C@](C)(O)c1cn(Cc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001590385246 1166894678 /nfs/dbraw/zinc/89/46/78/1166894678.db2.gz TYWJVGZMXSLOEX-NSHDSACASA-N -1 1 306.355 0.581 20 0 DCADMM CC[C@](C)(O)c1cn(Cc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001590385246 1166894684 /nfs/dbraw/zinc/89/46/84/1166894684.db2.gz TYWJVGZMXSLOEX-NSHDSACASA-N -1 1 306.355 0.581 20 0 DCADMM CC[C@@H](C)[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590400660 1166896725 /nfs/dbraw/zinc/89/67/25/1166896725.db2.gz SCMGAZYBRFFIGT-LDYMZIIASA-N -1 1 318.337 0.579 20 0 DCADMM CC[C@@H](C)[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)OC ZINC001590400660 1166896734 /nfs/dbraw/zinc/89/67/34/1166896734.db2.gz SCMGAZYBRFFIGT-LDYMZIIASA-N -1 1 318.337 0.579 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590391482 1166897273 /nfs/dbraw/zinc/89/72/73/1166897273.db2.gz UHMQIXHSMOUMTO-SECBINFHSA-N -1 1 304.358 0.573 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590391482 1166897278 /nfs/dbraw/zinc/89/72/78/1166897278.db2.gz UHMQIXHSMOUMTO-SECBINFHSA-N -1 1 304.358 0.573 20 0 DCADMM CC[C@@H](C)C(=O)NCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590394345 1166897615 /nfs/dbraw/zinc/89/76/15/1166897615.db2.gz YKHXIEBKPNWABV-SECBINFHSA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@@H](C)C(=O)NCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590394345 1166897620 /nfs/dbraw/zinc/89/76/20/1166897620.db2.gz YKHXIEBKPNWABV-SECBINFHSA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](C)NC(=O)COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590414569 1166903764 /nfs/dbraw/zinc/90/37/64/1166903764.db2.gz LXBVKGGPONZHQZ-ZETCQYMHSA-N -1 1 307.310 0.840 20 0 DCADMM CC[C@H](C)NC(=O)COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590414569 1166903766 /nfs/dbraw/zinc/90/37/66/1166903766.db2.gz LXBVKGGPONZHQZ-ZETCQYMHSA-N -1 1 307.310 0.840 20 0 DCADMM CC[C@H](CCO)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590438591 1166904757 /nfs/dbraw/zinc/90/47/57/1166904757.db2.gz FCVQEPXMQZAWCM-SECBINFHSA-N -1 1 305.342 0.792 20 0 DCADMM CC[C@H](CCO)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590438591 1166904760 /nfs/dbraw/zinc/90/47/60/1166904760.db2.gz FCVQEPXMQZAWCM-SECBINFHSA-N -1 1 305.342 0.792 20 0 DCADMM CCC(CC)CNC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590434571 1166906735 /nfs/dbraw/zinc/90/67/35/1166906735.db2.gz YFNWBNYQBOHVNV-UHFFFAOYSA-N -1 1 307.362 0.194 20 0 DCADMM CC[C@]1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCNC1=O ZINC001590488079 1166923529 /nfs/dbraw/zinc/92/35/29/1166923529.db2.gz MRNVWFQNSHZOHR-ZDUSSCGKSA-N -1 1 320.378 0.461 20 0 DCADMM 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/nfs/dbraw/zinc/93/46/49/1166934649.db2.gz BMEQTJMYOBJLJA-QMTHXVAHSA-N -1 1 317.353 0.431 20 0 DCADMM CCC[C@@H](O)CC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590560376 1166943391 /nfs/dbraw/zinc/94/33/91/1166943391.db2.gz NFOUHHUTDFTJIZ-SECBINFHSA-N -1 1 306.326 0.760 20 0 DCADMM CCCCCC(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590585069 1166947155 /nfs/dbraw/zinc/94/71/55/1166947155.db2.gz XCBSLOAJRBKBTB-SNVBAGLBSA-N -1 1 318.385 0.576 20 0 DCADMM CCCCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590602792 1166949918 /nfs/dbraw/zinc/94/99/18/1166949918.db2.gz ULYPEETXZJSHPR-MRVPVSSYSA-N -1 1 307.310 0.921 20 0 DCADMM CCCN(CC(=O)N(C)C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590620865 1166950791 /nfs/dbraw/zinc/95/07/91/1166950791.db2.gz SGYOXRBHWNEDTF-UHFFFAOYSA-N -1 1 318.385 0.524 20 0 DCADMM CCCN(CC(=O)N(C)C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590620865 1166950794 /nfs/dbraw/zinc/95/07/94/1166950794.db2.gz SGYOXRBHWNEDTF-UHFFFAOYSA-N -1 1 318.385 0.524 20 0 DCADMM 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CNC(=O)CCCC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001591205276 1167154860 /nfs/dbraw/zinc/15/48/60/1167154860.db2.gz AAQZNOMGHPWOMJ-UHFFFAOYSA-N -1 1 309.351 0.888 20 0 DCADMM CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC001591208698 1167157393 /nfs/dbraw/zinc/15/73/93/1167157393.db2.gz SILTWQXSRIPBIE-UHFFFAOYSA-N -1 1 300.326 0.205 20 0 DCADMM CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC001591208698 1167157398 /nfs/dbraw/zinc/15/73/98/1167157398.db2.gz SILTWQXSRIPBIE-UHFFFAOYSA-N -1 1 300.326 0.205 20 0 DCADMM COC(=O)[C@@H](CC1CC1)NCc1cccc(-c2nnn[n-]2)n1 ZINC001591231367 1167167829 /nfs/dbraw/zinc/16/78/29/1167167829.db2.gz JUUYZAQPWXVICQ-GFCCVEGCSA-N -1 1 302.338 0.693 20 0 DCADMM COC(=O)[C@@H](CC1CC1)NCc1cccc(-c2nn[n-]n2)n1 ZINC001591231367 1167167834 /nfs/dbraw/zinc/16/78/34/1167167834.db2.gz JUUYZAQPWXVICQ-GFCCVEGCSA-N -1 1 302.338 0.693 20 0 DCADMM COC(=O)[C@H](CC1CC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591231068 1167168758 /nfs/dbraw/zinc/16/87/58/1167168758.db2.gz AXMLRHJVOJOETE-NSHDSACASA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@H](CC1CC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591231068 1167168760 /nfs/dbraw/zinc/16/87/60/1167168760.db2.gz AXMLRHJVOJOETE-NSHDSACASA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)C1(C(=O)OCc2cccnc2-c2nnn[n-]2)CC1 ZINC001591243118 1167171767 /nfs/dbraw/zinc/17/17/67/1167171767.db2.gz UNVDTQLSDDWLJY-UHFFFAOYSA-N -1 1 303.278 0.258 20 0 DCADMM COC(=O)C1(C(=O)OCc2cccnc2-c2nn[n-]n2)CC1 ZINC001591243118 1167171778 /nfs/dbraw/zinc/17/17/78/1167171778.db2.gz UNVDTQLSDDWLJY-UHFFFAOYSA-N -1 1 303.278 0.258 20 0 DCADMM COC(=O)C1(COC(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001591241935 1167173240 /nfs/dbraw/zinc/17/32/40/1167173240.db2.gz GKNQZHIXSDXAOM-UHFFFAOYSA-N -1 1 317.305 0.762 20 0 DCADMM COC(=O)C1(COC(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001591241935 1167173247 /nfs/dbraw/zinc/17/32/47/1167173247.db2.gz GKNQZHIXSDXAOM-UHFFFAOYSA-N -1 1 317.305 0.762 20 0 DCADMM COC(=O)C12CC(C1)CN2C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591246405 1167174710 /nfs/dbraw/zinc/17/47/10/1167174710.db2.gz RBJFATCYFGBIFF-UHFFFAOYSA-N -1 1 314.305 0.039 20 0 DCADMM COC(=O)C12CC(C1)CN2C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591246405 1167174712 /nfs/dbraw/zinc/17/47/12/1167174712.db2.gz RBJFATCYFGBIFF-UHFFFAOYSA-N -1 1 314.305 0.039 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001591250685 1167177594 /nfs/dbraw/zinc/17/75/94/1167177594.db2.gz SKYXDUHEQLBJAL-AUTRQRHGSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001591250685 1167177597 /nfs/dbraw/zinc/17/75/97/1167177597.db2.gz SKYXDUHEQLBJAL-AUTRQRHGSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)C[C@@H](C)CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591258329 1167180978 /nfs/dbraw/zinc/18/09/78/1167180978.db2.gz GZKYVYVQQLLHAN-ZETCQYMHSA-N -1 1 307.314 0.128 20 0 DCADMM COC(=O)C[C@@H](C)CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591258329 1167180982 /nfs/dbraw/zinc/18/09/82/1167180982.db2.gz GZKYVYVQQLLHAN-ZETCQYMHSA-N -1 1 307.314 0.128 20 0 DCADMM COC(=O)CCCONC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591264297 1167186218 /nfs/dbraw/zinc/18/62/18/1167186218.db2.gz ZHCQGRVRLWFXAQ-UHFFFAOYSA-N -1 1 311.323 0.543 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001591278175 1167195345 /nfs/dbraw/zinc/19/53/45/1167195345.db2.gz SHSOQTJZPJKGDG-BDAKNGLRSA-N -1 1 306.278 0.702 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001591278175 1167195349 /nfs/dbraw/zinc/19/53/49/1167195349.db2.gz SHSOQTJZPJKGDG-BDAKNGLRSA-N -1 1 306.278 0.702 20 0 DCADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C(C)(C)C ZINC001591277187 1167195536 /nfs/dbraw/zinc/19/55/36/1167195536.db2.gz PLFMICJTALSQTL-SECBINFHSA-N -1 1 307.310 0.777 20 0 DCADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C(C)(C)C ZINC001591277187 1167195543 /nfs/dbraw/zinc/19/55/43/1167195543.db2.gz PLFMICJTALSQTL-SECBINFHSA-N -1 1 307.310 0.777 20 0 DCADMM COC(=O)[C@@H](C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591277452 1167196599 /nfs/dbraw/zinc/19/65/99/1167196599.db2.gz WRQDLKYYNPIZHD-SCSAIBSYSA-N -1 1 302.747 0.974 20 0 DCADMM COC(=O)c1ccc(N[C@@H]2C[C@@H](O)C2(C)C)c(-c2nnn[n-]2)n1 ZINC001591296765 1167202681 /nfs/dbraw/zinc/20/26/81/1167202681.db2.gz XZYMTRUEGRWJHI-NXEZZACHSA-N -1 1 318.337 0.620 20 0 DCADMM COC(=O)c1ccc(N[C@@H]2C[C@@H](O)C2(C)C)c(-c2nn[n-]n2)n1 ZINC001591296765 1167202683 /nfs/dbraw/zinc/20/26/83/1167202683.db2.gz XZYMTRUEGRWJHI-NXEZZACHSA-N -1 1 318.337 0.620 20 0 DCADMM COC(=O)c1ccc(N2CCC(CO)CC2)c(-c2nnn[n-]2)n1 ZINC001591293463 1167203702 /nfs/dbraw/zinc/20/37/02/1167203702.db2.gz FRTRPRUFKITNQC-UHFFFAOYSA-N -1 1 318.337 0.257 20 0 DCADMM COC(=O)c1ccc(N2CCC(CO)CC2)c(-c2nn[n-]n2)n1 ZINC001591293463 1167203706 /nfs/dbraw/zinc/20/37/06/1167203706.db2.gz FRTRPRUFKITNQC-UHFFFAOYSA-N -1 1 318.337 0.257 20 0 DCADMM COC(=O)c1ccc(N[C@H]2C[C@H](OC)C2)c(-c2nnn[n-]2)n1 ZINC001591297062 1167205061 /nfs/dbraw/zinc/20/50/61/1167205061.db2.gz YVLATJYKVOFMKA-ZKCHVHJHSA-N -1 1 304.310 0.638 20 0 DCADMM COC(=O)c1ccc(N[C@H]2C[C@H](OC)C2)c(-c2nn[n-]n2)n1 ZINC001591297062 1167205070 /nfs/dbraw/zinc/20/50/70/1167205070.db2.gz YVLATJYKVOFMKA-ZKCHVHJHSA-N -1 1 304.310 0.638 20 0 DCADMM COC(=O)c1ccc2[nH]c(Cn3ccnc3-c3nnn[n-]3)nc2c1 ZINC001591299431 1167206774 /nfs/dbraw/zinc/20/67/74/1167206774.db2.gz XLVPVNXWLFGOSF-UHFFFAOYSA-N -1 1 324.304 0.774 20 0 DCADMM COC(=O)c1ccc2[nH]c(Cn3ccnc3-c3nn[n-]n3)nc2c1 ZINC001591299431 1167206780 /nfs/dbraw/zinc/20/67/80/1167206780.db2.gz XLVPVNXWLFGOSF-UHFFFAOYSA-N -1 1 324.304 0.774 20 0 DCADMM COC(=O)c1n[nH]cc1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591307360 1167207652 /nfs/dbraw/zinc/20/76/52/1167207652.db2.gz JYWUUCKSAPQUPY-UHFFFAOYSA-N -1 1 317.265 0.530 20 0 DCADMM COC(=O)c1n[nH]cc1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591307360 1167207658 /nfs/dbraw/zinc/20/76/58/1167207658.db2.gz JYWUUCKSAPQUPY-UHFFFAOYSA-N -1 1 317.265 0.530 20 0 DCADMM CO[C@@H](C)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC001591324937 1167215056 /nfs/dbraw/zinc/21/50/56/1167215056.db2.gz TVPFQOIKOGYTGC-VIFPVBQESA-N -1 1 300.322 0.920 20 0 DCADMM CO[C@@H](C)CC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001591321122 1167216025 /nfs/dbraw/zinc/21/60/25/1167216025.db2.gz UEFFLGGKUJQMKQ-VIFPVBQESA-N -1 1 302.338 0.966 20 0 DCADMM CO[C@@H](C)CC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001591321122 1167216030 /nfs/dbraw/zinc/21/60/30/1167216030.db2.gz UEFFLGGKUJQMKQ-VIFPVBQESA-N -1 1 302.338 0.966 20 0 DCADMM COC1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001591339924 1167224068 /nfs/dbraw/zinc/22/40/68/1167224068.db2.gz XJYXXTQGJPQBJD-UHFFFAOYSA-N -1 1 302.338 0.903 20 0 DCADMM COC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001591339924 1167224071 /nfs/dbraw/zinc/22/40/71/1167224071.db2.gz XJYXXTQGJPQBJD-UHFFFAOYSA-N -1 1 302.338 0.903 20 0 DCADMM CO[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591354961 1167229863 /nfs/dbraw/zinc/22/98/63/1167229863.db2.gz SBXQWWUIQOYVSF-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM CO[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591354961 1167229867 /nfs/dbraw/zinc/22/98/67/1167229867.db2.gz SBXQWWUIQOYVSF-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM CO[C@H]1COCC[C@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591360814 1167233921 /nfs/dbraw/zinc/23/39/21/1167233921.db2.gz JMBRVXJIWABVRL-BDAKNGLRSA-N -1 1 323.378 0.804 20 0 DCADMM CO[C@H]1COCC[C@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591360814 1167233925 /nfs/dbraw/zinc/23/39/25/1167233925.db2.gz JMBRVXJIWABVRL-BDAKNGLRSA-N -1 1 323.378 0.804 20 0 DCADMM COC[C@H](CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1)OC ZINC001591375991 1167247911 /nfs/dbraw/zinc/24/79/11/1167247911.db2.gz MDJLNDRSWZKMOJ-VIFPVBQESA-N -1 1 321.341 0.435 20 0 DCADMM COC[C@H](CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1)OC ZINC001591375991 1167247916 /nfs/dbraw/zinc/24/79/16/1167247916.db2.gz MDJLNDRSWZKMOJ-VIFPVBQESA-N -1 1 321.341 0.435 20 0 DCADMM COC[C@@]1(C(=O)[O-])CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001591387509 1167257559 /nfs/dbraw/zinc/25/75/59/1167257559.db2.gz XLIDTQAPUWGMAX-CQSZACIVSA-N -1 1 318.337 0.498 20 0 DCADMM COC[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC001591396497 1167265714 /nfs/dbraw/zinc/26/57/14/1167265714.db2.gz YJVKXEYAUOTRRI-MWLCHTKSSA-N -1 1 318.337 0.138 20 0 DCADMM COC[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC001591396497 1167265721 /nfs/dbraw/zinc/26/57/21/1167265721.db2.gz YJVKXEYAUOTRRI-MWLCHTKSSA-N -1 1 318.337 0.138 20 0 DCADMM COCCOC(=O)CSc1snc(C)c1-c1nnn[n-]1 ZINC001591431955 1167284305 /nfs/dbraw/zinc/28/43/05/1167284305.db2.gz XSLUDLUAAUKEBC-UHFFFAOYSA-N -1 1 315.380 0.913 20 0 DCADMM COCCOC(=O)CSc1snc(C)c1-c1nn[n-]n1 ZINC001591431955 1167284312 /nfs/dbraw/zinc/28/43/12/1167284312.db2.gz XSLUDLUAAUKEBC-UHFFFAOYSA-N -1 1 315.380 0.913 20 0 DCADMM COCCOC1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001591433651 1167287129 /nfs/dbraw/zinc/28/71/29/1167287129.db2.gz JQOBEMOKXCRZEE-UHFFFAOYSA-N -1 1 319.369 0.597 20 0 DCADMM COCCOC1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001591433651 1167287135 /nfs/dbraw/zinc/28/71/35/1167287135.db2.gz JQOBEMOKXCRZEE-UHFFFAOYSA-N -1 1 319.369 0.597 20 0 DCADMM CON(C)C1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001591465954 1167298091 /nfs/dbraw/zinc/29/80/91/1167298091.db2.gz OEVYCTLHGAEBJV-UHFFFAOYSA-N -1 1 301.763 0.658 20 0 DCADMM CON(C)C1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001591465954 1167298097 /nfs/dbraw/zinc/29/80/97/1167298097.db2.gz OEVYCTLHGAEBJV-UHFFFAOYSA-N -1 1 301.763 0.658 20 0 DCADMM CO[C@H]1c2ccccc2C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001591473728 1167304430 /nfs/dbraw/zinc/30/44/30/1167304430.db2.gz OIYUVCAUMNJYGD-YPMHNXCESA-N -1 1 309.333 0.803 20 0 DCADMM COc1cc(CN(C)c2ncncc2-c2nn[n-]n2)sn1 ZINC001591525802 1167323047 /nfs/dbraw/zinc/32/30/47/1167323047.db2.gz KRTUIOPYTCQVGB-UHFFFAOYSA-N -1 1 304.339 0.758 20 0 DCADMM COc1ccc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)cn1 ZINC001591574585 1167334285 /nfs/dbraw/zinc/33/42/85/1167334285.db2.gz GEVZRGMOQQNFKY-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1ccc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)cn1 ZINC001591574585 1167334293 /nfs/dbraw/zinc/33/42/93/1167334293.db2.gz GEVZRGMOQQNFKY-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1cccnc1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591654883 1167340850 /nfs/dbraw/zinc/34/08/50/1167340850.db2.gz BTRATRLJGLYDQZ-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1cccnc1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591654883 1167340852 /nfs/dbraw/zinc/34/08/52/1167340852.db2.gz BTRATRLJGLYDQZ-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1ncc(C=CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cn1 ZINC001591662768 1167344509 /nfs/dbraw/zinc/34/45/09/1167344509.db2.gz FIHSQADTAVXXSU-NSCUHMNNSA-N -1 1 313.281 0.040 20 0 DCADMM COc1ncc(C=CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cn1 ZINC001591662768 1167344513 /nfs/dbraw/zinc/34/45/13/1167344513.db2.gz FIHSQADTAVXXSU-NSCUHMNNSA-N -1 1 313.281 0.040 20 0 DCADMM CS(=O)(=O)C1(CNc2cc(-c3nnn[n-]3)ncn2)CCCC1 ZINC001591671302 1167348070 /nfs/dbraw/zinc/34/80/70/1167348070.db2.gz COUYGYPKENJWQQ-UHFFFAOYSA-N -1 1 323.382 0.426 20 0 DCADMM CS(=O)(=O)C1(CNc2cc(-c3nn[n-]n3)ncn2)CCCC1 ZINC001591671302 1167348076 /nfs/dbraw/zinc/34/80/76/1167348076.db2.gz COUYGYPKENJWQQ-UHFFFAOYSA-N -1 1 323.382 0.426 20 0 DCADMM CS(=O)(=O)CCCCCNc1cccc(-c2nnn[n-]2)n1 ZINC001591674806 1167351117 /nfs/dbraw/zinc/35/11/17/1167351117.db2.gz XRDJUEAFPJNKLN-UHFFFAOYSA-N -1 1 310.383 0.889 20 0 DCADMM CS(=O)(=O)CCCCCNc1cccc(-c2nn[n-]n2)n1 ZINC001591674806 1167351120 /nfs/dbraw/zinc/35/11/20/1167351120.db2.gz XRDJUEAFPJNKLN-UHFFFAOYSA-N -1 1 310.383 0.889 20 0 DCADMM CS[C@H](CO)[C@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591690361 1167354126 /nfs/dbraw/zinc/35/41/26/1167354126.db2.gz OOYXMSKQUXCUQE-OIBJUYFYSA-N -1 1 323.382 0.496 20 0 DCADMM CS[C@H](CO)[C@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591690361 1167354129 /nfs/dbraw/zinc/35/41/29/1167354129.db2.gz OOYXMSKQUXCUQE-OIBJUYFYSA-N -1 1 323.382 0.496 20 0 DCADMM CSC[C@](C)(O)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591693998 1167356037 /nfs/dbraw/zinc/35/60/37/1167356037.db2.gz DWFWXUCPMIVIME-GFCCVEGCSA-N -1 1 308.367 0.106 20 0 DCADMM CSC[C@](C)(O)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591693998 1167356044 /nfs/dbraw/zinc/35/60/44/1167356044.db2.gz DWFWXUCPMIVIME-GFCCVEGCSA-N -1 1 308.367 0.106 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cnn3ncccc23)nn1C ZINC001591797068 1167380776 /nfs/dbraw/zinc/38/07/76/1167380776.db2.gz NAKOFXNGBHUDLN-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cnn3ncccc23)nn1C ZINC001591797068 1167380786 /nfs/dbraw/zinc/38/07/86/1167380786.db2.gz NAKOFXNGBHUDLN-UHFFFAOYSA-N -1 1 324.308 0.204 20 0 DCADMM Cc1c(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cnn1C ZINC001591810933 1167385173 /nfs/dbraw/zinc/38/51/73/1167385173.db2.gz NKSHSSTVRJKIPY-UHFFFAOYSA-N -1 1 313.325 0.761 20 0 DCADMM Cc1c[nH]cc1C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001591832688 1167390005 /nfs/dbraw/zinc/39/00/05/1167390005.db2.gz IZJVZPNRFNDJIO-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1c[nH]cc1C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001591832688 1167390018 /nfs/dbraw/zinc/39/00/18/1167390018.db2.gz IZJVZPNRFNDJIO-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@@]2(OC(C)C)CCOC2)c1 ZINC001591836704 1167391368 /nfs/dbraw/zinc/39/13/68/1167391368.db2.gz HZCUZXPPPOOOQL-HNNXBMFYSA-N -1 1 319.365 0.921 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(CC(F)F)CC2)n1 ZINC001591887425 1167410632 /nfs/dbraw/zinc/41/06/32/1167410632.db2.gz HNXSMWZFDPDLJB-UHFFFAOYSA-N -1 1 310.312 0.352 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(CC(F)F)CC2)n1 ZINC001591887425 1167410636 /nfs/dbraw/zinc/41/06/36/1167410636.db2.gz HNXSMWZFDPDLJB-UHFFFAOYSA-N -1 1 310.312 0.352 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](N3CCOC3=O)C2)c1 ZINC001591886591 1167411432 /nfs/dbraw/zinc/41/14/32/1167411432.db2.gz OQXLUDAYEOXBQP-JTQLQIEISA-N -1 1 315.337 0.601 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](N3CCOC3=O)C2)c1 ZINC001591886591 1167411440 /nfs/dbraw/zinc/41/14/40/1167411440.db2.gz OQXLUDAYEOXBQP-JTQLQIEISA-N -1 1 315.337 0.601 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCc2ncn(C)n2)n1 ZINC001591897974 1167413987 /nfs/dbraw/zinc/41/39/87/1167413987.db2.gz JOIJVCPUFLQNLC-UHFFFAOYSA-N -1 1 300.330 0.138 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCc2ncn(C)n2)n1 ZINC001591897974 1167413989 /nfs/dbraw/zinc/41/39/89/1167413989.db2.gz JOIJVCPUFLQNLC-UHFFFAOYSA-N -1 1 300.330 0.138 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)[C@@H](F)C(C)C)n1 ZINC001591900304 1167416231 /nfs/dbraw/zinc/41/62/31/1167416231.db2.gz SPIURUFZTCNLLB-JTQLQIEISA-N -1 1 322.348 0.487 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)[C@@H](F)C(C)C)n1 ZINC001591900304 1167416234 /nfs/dbraw/zinc/41/62/34/1167416234.db2.gz SPIURUFZTCNLLB-JTQLQIEISA-N -1 1 322.348 0.487 20 0 DCADMM Cc1cc2n[nH]cc2cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001592069686 1167449408 /nfs/dbraw/zinc/44/94/08/1167449408.db2.gz BEYFMEHADFBLLX-UHFFFAOYSA-N -1 1 324.308 0.282 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CC[C@@H](C)[S@](=O)CC1 ZINC001592109753 1167458522 /nfs/dbraw/zinc/45/85/22/1167458522.db2.gz AGFHMFYHXKHQBX-LADRHHBVSA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](C)[S@](=O)CC1 ZINC001592109753 1167458529 /nfs/dbraw/zinc/45/85/29/1167458529.db2.gz AGFHMFYHXKHQBX-LADRHHBVSA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCCc1nnc2n1CCC2 ZINC001592112595 1167459130 /nfs/dbraw/zinc/45/91/30/1167459130.db2.gz NDHDDCNNBJLVRY-UHFFFAOYSA-N -1 1 311.353 0.762 20 0 DCADMM Cc1ccc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)cc1F ZINC001592171413 1167468461 /nfs/dbraw/zinc/46/84/61/1167468461.db2.gz GEMJLIZDTSLICM-UHFFFAOYSA-N -1 1 302.269 0.625 20 0 DCADMM Cc1cccc(OCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001592237252 1167478575 /nfs/dbraw/zinc/47/85/75/1167478575.db2.gz UDSDWSZQRXNJKH-UHFFFAOYSA-N -1 1 313.321 0.926 20 0 DCADMM Cc1cccc(OCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001592237252 1167478582 /nfs/dbraw/zinc/47/85/82/1167478582.db2.gz UDSDWSZQRXNJKH-UHFFFAOYSA-N -1 1 313.321 0.926 20 0 DCADMM Cc1ccn(CN2CCn3cncc3C2)c(=O)c1-c1nn[n-]n1 ZINC001592267636 1167479420 /nfs/dbraw/zinc/47/94/20/1167479420.db2.gz SYOWFYOSUGIQKJ-UHFFFAOYSA-N -1 1 312.337 0.007 20 0 DCADMM Cc1ccn(CN2CC[C@@H](C)O[C@@H](C)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266493 1167479550 /nfs/dbraw/zinc/47/95/50/1167479550.db2.gz DENZNFCEDCSURX-NEPJUHHUSA-N -1 1 318.381 0.794 20 0 DCADMM Cc1cccnc1N(C)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592263610 1167480128 /nfs/dbraw/zinc/48/01/28/1167480128.db2.gz BXWLCMNKPBXTIH-VIFPVBQESA-N -1 1 313.325 0.386 20 0 DCADMM Cc1ccn(CN(C)C[C@H]2CCCCO2)c(=O)c1-c1nn[n-]n1 ZINC001592266015 1167480383 /nfs/dbraw/zinc/48/03/83/1167480383.db2.gz MOCGCRLEFRHTNK-GFCCVEGCSA-N -1 1 318.381 0.795 20 0 DCADMM Cc1cncc(C)c1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592298663 1167485095 /nfs/dbraw/zinc/48/50/95/1167485095.db2.gz JHUKLPCORHVUFG-UHFFFAOYSA-N -1 1 309.333 0.877 20 0 DCADMM Cc1ccncc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592279467 1167485312 /nfs/dbraw/zinc/48/53/12/1167485312.db2.gz YPFBYPKYSGSAED-UHFFFAOYSA-N -1 1 318.318 0.733 20 0 DCADMM Cc1ccncc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592279467 1167485316 /nfs/dbraw/zinc/48/53/16/1167485316.db2.gz YPFBYPKYSGSAED-UHFFFAOYSA-N -1 1 318.318 0.733 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[S@](=O)[C@@H](C)[C@H]2C)n1 ZINC001592341645 1167495540 /nfs/dbraw/zinc/49/55/40/1167495540.db2.gz YVIYEWIRZSLWOU-PXMPENCTSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[S@](=O)[C@@H](C)[C@H]2C)n1 ZINC001592341645 1167495542 /nfs/dbraw/zinc/49/55/42/1167495542.db2.gz YVIYEWIRZSLWOU-PXMPENCTSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1nc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)oc1C ZINC001592376233 1167506521 /nfs/dbraw/zinc/50/65/21/1167506521.db2.gz CSTMQLGGSPXDSL-ZCFIWIBFSA-N -1 1 303.286 0.263 20 0 DCADMM Cc1nc(NCCCN2CCCCC2=O)cc(-c2nnn[n-]2)n1 ZINC001592389372 1167512628 /nfs/dbraw/zinc/51/26/28/1167512628.db2.gz FRDFNGSDUIJCBF-UHFFFAOYSA-N -1 1 316.369 0.780 20 0 DCADMM Cc1nc(NCCCN2CCCCC2=O)cc(-c2nn[n-]n2)n1 ZINC001592389372 1167512634 /nfs/dbraw/zinc/51/26/34/1167512634.db2.gz FRDFNGSDUIJCBF-UHFFFAOYSA-N -1 1 316.369 0.780 20 0 DCADMM Cc1ncsc1C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001592423263 1167517697 /nfs/dbraw/zinc/51/76/97/1167517697.db2.gz AQCRURQZNFWWDA-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1ncsc1C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001592423263 1167517701 /nfs/dbraw/zinc/51/77/01/1167517701.db2.gz AQCRURQZNFWWDA-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592415059 1167517891 /nfs/dbraw/zinc/51/78/91/1167517891.db2.gz XCPUAQVZSRPVHW-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1nccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592415059 1167517899 /nfs/dbraw/zinc/51/78/99/1167517899.db2.gz XCPUAQVZSRPVHW-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1nn(C)c(NC(=O)C=Cc2cn(C)cn2)c1-c1nnn[n-]1 ZINC001592433535 1167520006 /nfs/dbraw/zinc/52/00/06/1167520006.db2.gz DYMXXTIPSGTMFP-SNAWJCMRSA-N -1 1 313.325 0.294 20 0 DCADMM Cc1nn(C)c(NC(=O)C=Cc2cn(C)cn2)c1-c1nn[n-]n1 ZINC001592433535 1167520010 /nfs/dbraw/zinc/52/00/10/1167520010.db2.gz DYMXXTIPSGTMFP-SNAWJCMRSA-N -1 1 313.325 0.294 20 0 DCADMM Cc1nn(C)c(NC(=O)COCC(F)(F)F)c1-c1nnn[n-]1 ZINC001592433559 1167520299 /nfs/dbraw/zinc/52/02/99/1167520299.db2.gz FSFYRUOYNFTLIY-UHFFFAOYSA-N -1 1 319.247 0.426 20 0 DCADMM Cc1nn(C)c(NC(=O)COCC(F)(F)F)c1-c1nn[n-]n1 ZINC001592433559 1167520305 /nfs/dbraw/zinc/52/03/05/1167520305.db2.gz FSFYRUOYNFTLIY-UHFFFAOYSA-N -1 1 319.247 0.426 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnn(C3CC3)c2)c1-c1nnn[n-]1 ZINC001592433174 1167521143 /nfs/dbraw/zinc/52/11/43/1167521143.db2.gz URMPNPGFEZZYFL-UHFFFAOYSA-N -1 1 313.325 0.692 20 0 DCADMM Cc1nn(C)c(NC(=O)c2cnn(C3CC3)c2)c1-c1nn[n-]n1 ZINC001592433174 1167521148 /nfs/dbraw/zinc/52/11/48/1167521148.db2.gz URMPNPGFEZZYFL-UHFFFAOYSA-N -1 1 313.325 0.692 20 0 DCADMM Cc1nn(C)cc1CC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001592435622 1167523094 /nfs/dbraw/zinc/52/30/94/1167523094.db2.gz RKNZEPBYRSVZCE-UHFFFAOYSA-N -1 1 315.341 0.132 20 0 DCADMM Cc1nn(C)cc1CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001592435622 1167523102 /nfs/dbraw/zinc/52/31/02/1167523102.db2.gz RKNZEPBYRSVZCE-UHFFFAOYSA-N -1 1 315.341 0.132 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2csc(-c3nn[n-]n3)c2)o1 ZINC001592442696 1167525135 /nfs/dbraw/zinc/52/51/35/1167525135.db2.gz WEPDGIPBALTWGU-UHFFFAOYSA-N -1 1 305.323 0.892 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)s1 ZINC001592442456 1167525842 /nfs/dbraw/zinc/52/58/42/1167525842.db2.gz MZZFSRGITIIEAC-UHFFFAOYSA-N -1 1 316.350 0.694 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)s1 ZINC001592442456 1167525847 /nfs/dbraw/zinc/52/58/47/1167525847.db2.gz MZZFSRGITIIEAC-UHFFFAOYSA-N -1 1 316.350 0.694 20 0 DCADMM Cc1noc(C)c1CCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592458092 1167529232 /nfs/dbraw/zinc/52/92/32/1167529232.db2.gz XBOGOWCFMOJMOG-UHFFFAOYSA-N -1 1 302.298 0.766 20 0 DCADMM Cc1noc(C)c1CCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592458092 1167529236 /nfs/dbraw/zinc/52/92/36/1167529236.db2.gz XBOGOWCFMOJMOG-UHFFFAOYSA-N -1 1 302.298 0.766 20 0 DCADMM Cc1noc(C)c1COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592459842 1167530293 /nfs/dbraw/zinc/53/02/93/1167530293.db2.gz WTXPISDHAKCMPO-SSDOTTSWSA-N -1 1 318.297 0.367 20 0 DCADMM Cc1nsc(N2CC[C@H](N3CCCC3=O)C2)c1-c1nn[n-]n1 ZINC001592472718 1167531512 /nfs/dbraw/zinc/53/15/12/1167531512.db2.gz CJDHRMOLWBZIGN-VIFPVBQESA-N -1 1 319.394 0.833 20 0 DCADMM Cc1noc(CCCn2ccc(C)c(-c3nn[n-]n3)c2=O)n1 ZINC001592462802 1167533201 /nfs/dbraw/zinc/53/32/01/1167533201.db2.gz PHPLKCBGBORUMS-UHFFFAOYSA-N -1 1 301.310 0.661 20 0 DCADMM Cc1nsc(N2CC[C@@]3(CCOC3=O)C2)c1-c1nn[n-]n1 ZINC001592474154 1167533891 /nfs/dbraw/zinc/53/38/91/1167533891.db2.gz GJFOYCGNLBYGKK-GFCCVEGCSA-N -1 1 306.351 0.775 20 0 DCADMM Cc1nsc(NC(=O)[C@@H]2C[C@@]23CCOC3)c1-c1nnn[n-]1 ZINC001592479848 1167533938 /nfs/dbraw/zinc/53/39/38/1167533938.db2.gz QPXXPEXGCHKNJU-JVXZTZIISA-N -1 1 306.351 0.997 20 0 DCADMM Cc1nsc(NC(=O)[C@@H]2C[C@@]23CCOC3)c1-c1nn[n-]n1 ZINC001592479848 1167533941 /nfs/dbraw/zinc/53/39/41/1167533941.db2.gz QPXXPEXGCHKNJU-JVXZTZIISA-N -1 1 306.351 0.997 20 0 DCADMM Cc1nsc(NC(=O)N2CCO[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592480941 1167535834 /nfs/dbraw/zinc/53/58/34/1167535834.db2.gz ZQHDIFFEYKGSQF-ZCFIWIBFSA-N -1 1 309.355 0.884 20 0 DCADMM Cc1nsc(NC(=O)N2CCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592480941 1167535842 /nfs/dbraw/zinc/53/58/42/1167535842.db2.gz ZQHDIFFEYKGSQF-ZCFIWIBFSA-N -1 1 309.355 0.884 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1nccc(N)n1 ZINC001592500180 1167540973 /nfs/dbraw/zinc/54/09/73/1167540973.db2.gz BFWFIKLVOQIDBU-UHFFFAOYSA-N -1 1 300.282 0.070 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1nccc(N)n1 ZINC001592500180 1167540979 /nfs/dbraw/zinc/54/09/79/1167540979.db2.gz BFWFIKLVOQIDBU-UHFFFAOYSA-N -1 1 300.282 0.070 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1CCN(C2CC2)C1=O ZINC001592502921 1167541452 /nfs/dbraw/zinc/54/14/52/1167541452.db2.gz YELBKDDYJHRCAM-SNVBAGLBSA-N -1 1 317.305 0.688 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1CCN(C2CC2)C1=O ZINC001592502921 1167541456 /nfs/dbraw/zinc/54/14/56/1167541456.db2.gz YELBKDDYJHRCAM-SNVBAGLBSA-N -1 1 317.305 0.688 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nnc2n1CCCC2 ZINC001592501033 1167542135 /nfs/dbraw/zinc/54/21/35/1167542135.db2.gz HKTXMBUAPFYPNL-UHFFFAOYSA-N -1 1 314.309 0.948 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nnc2n1CCCC2 ZINC001592501033 1167542140 /nfs/dbraw/zinc/54/21/40/1167542140.db2.gz HKTXMBUAPFYPNL-UHFFFAOYSA-N -1 1 314.309 0.948 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC1CCN(C#N)CC1 ZINC001592502892 1167542681 /nfs/dbraw/zinc/54/26/81/1167542681.db2.gz XZCKAEMEXXHNKC-UHFFFAOYSA-N -1 1 302.294 0.870 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC1CCN(C#N)CC1 ZINC001592502892 1167542688 /nfs/dbraw/zinc/54/26/88/1167542688.db2.gz XZCKAEMEXXHNKC-UHFFFAOYSA-N -1 1 302.294 0.870 20 0 DCADMM Cc1onc(CC(=O)N2CCCC[C@H]2CO)c1-c1nnn[n-]1 ZINC001592515603 1167544068 /nfs/dbraw/zinc/54/40/68/1167544068.db2.gz IJOGZUTZTKNVAZ-VIFPVBQESA-N -1 1 306.326 0.079 20 0 DCADMM Cc1onc(CC(=O)N2CCCC[C@H]2CO)c1-c1nn[n-]n1 ZINC001592515603 1167544075 /nfs/dbraw/zinc/54/40/75/1167544075.db2.gz IJOGZUTZTKNVAZ-VIFPVBQESA-N -1 1 306.326 0.079 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCN1CCOCC1 ZINC001592503967 1167544775 /nfs/dbraw/zinc/54/47/75/1167544775.db2.gz NLTSLVQGWZBRPP-UHFFFAOYSA-N -1 1 307.310 0.257 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCN1CCOCC1 ZINC001592503967 1167544781 /nfs/dbraw/zinc/54/47/81/1167544781.db2.gz NLTSLVQGWZBRPP-UHFFFAOYSA-N -1 1 307.310 0.257 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(-c2nn[n-]n2)c1=O ZINC001592546153 1167551145 /nfs/dbraw/zinc/55/11/45/1167551145.db2.gz KSZQCGHGEXKQSP-HLTSFMKQSA-N -1 1 317.353 0.514 20 0 DCADMM Cn1c(Sc2cc(-c3nnn[n-]3)ncn2)nnc1C(F)F ZINC001592557339 1167557201 /nfs/dbraw/zinc/55/72/01/1167557201.db2.gz ZWPIHZWJIMSUCL-UHFFFAOYSA-N -1 1 311.281 0.874 20 0 DCADMM Cn1c(Sc2cc(-c3nn[n-]n3)ncn2)nnc1C(F)F ZINC001592557339 1167557207 /nfs/dbraw/zinc/55/72/07/1167557207.db2.gz ZWPIHZWJIMSUCL-UHFFFAOYSA-N -1 1 311.281 0.874 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCCCCC2)n(C)c1=O ZINC001592553535 1167558147 /nfs/dbraw/zinc/55/81/47/1167558147.db2.gz RYGGYTOUACTUOI-UHFFFAOYSA-N -1 1 319.369 0.035 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(Sc2ccccc2)n(C)c1=O ZINC001592557297 1167559471 /nfs/dbraw/zinc/55/94/71/1167559471.db2.gz XFQSSSXUYUYJII-UHFFFAOYSA-N -1 1 316.346 0.415 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC001592560068 1167560320 /nfs/dbraw/zinc/56/03/20/1167560320.db2.gz WPCUGYYOAIQVJB-XHNCKOQMSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC001592560068 1167560330 /nfs/dbraw/zinc/56/03/30/1167560330.db2.gz WPCUGYYOAIQVJB-XHNCKOQMSA-N -1 1 302.342 0.910 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2coc(C3CC3)n2)n1 ZINC001592560223 1167560345 /nfs/dbraw/zinc/56/03/45/1167560345.db2.gz UFMVRVFFALRJMZ-UHFFFAOYSA-N -1 1 300.282 0.718 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2coc(C3CC3)n2)n1 ZINC001592560223 1167560353 /nfs/dbraw/zinc/56/03/53/1167560353.db2.gz UFMVRVFFALRJMZ-UHFFFAOYSA-N -1 1 300.282 0.718 20 0 DCADMM Cn1cc(N2CC[C@H](Nc3cccnc3-c3nnn[n-]3)C2)cn1 ZINC001592576043 1167565628 /nfs/dbraw/zinc/56/56/28/1167565628.db2.gz NDNQNVOHXNJTOU-JTQLQIEISA-N -1 1 311.353 0.686 20 0 DCADMM Cn1cc(N2CC[C@H](Nc3cccnc3-c3nn[n-]n3)C2)cn1 ZINC001592576043 1167565631 /nfs/dbraw/zinc/56/56/31/1167565631.db2.gz NDNQNVOHXNJTOU-JTQLQIEISA-N -1 1 311.353 0.686 20 0 DCADMM Cn1cncc1[C@@H](CO)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592589890 1167573740 /nfs/dbraw/zinc/57/37/40/1167573740.db2.gz UYQMTVQNYGVGII-MRVPVSSYSA-N -1 1 319.350 0.125 20 0 DCADMM Cn1cncc1[C@@H](CO)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001592589890 1167573744 /nfs/dbraw/zinc/57/37/44/1167573744.db2.gz UYQMTVQNYGVGII-MRVPVSSYSA-N -1 1 319.350 0.125 20 0 DCADMM Cn1nccc1[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592603865 1167581468 /nfs/dbraw/zinc/58/14/68/1167581468.db2.gz CCODUEDZMCJIHD-MRVPVSSYSA-N -1 1 319.350 0.125 20 0 DCADMM Cn1nccc1[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592603865 1167581478 /nfs/dbraw/zinc/58/14/78/1167581478.db2.gz CCODUEDZMCJIHD-MRVPVSSYSA-N -1 1 319.350 0.125 20 0 DCADMM FC(F)(F)c1nnc(Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC001592625543 1167587817 /nfs/dbraw/zinc/58/78/17/1167587817.db2.gz WIKBJIZGDKDTPJ-UHFFFAOYSA-N -1 1 303.233 0.377 20 0 DCADMM Fc1cccnc1OCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001592660614 1167591241 /nfs/dbraw/zinc/59/12/41/1167591241.db2.gz CWSMWJNPDPUQNR-UHFFFAOYSA-N -1 1 302.273 0.682 20 0 DCADMM Fc1cccnc1OCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001592660614 1167591245 /nfs/dbraw/zinc/59/12/45/1167591245.db2.gz CWSMWJNPDPUQNR-UHFFFAOYSA-N -1 1 302.273 0.682 20 0 DCADMM NC(=O)[C@H]1CCCCC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592720864 1167613414 /nfs/dbraw/zinc/61/34/14/1167613414.db2.gz OZPOVGNAZCFRFC-IUCAKERBSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@H]1CCCCC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592720864 1167613417 /nfs/dbraw/zinc/61/34/17/1167613417.db2.gz OZPOVGNAZCFRFC-IUCAKERBSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@@H]1CCCCC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592720686 1167613588 /nfs/dbraw/zinc/61/35/88/1167613588.db2.gz OZPOVGNAZCFRFC-BDAKNGLRSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@@H]1CCCCC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592720686 1167613592 /nfs/dbraw/zinc/61/35/92/1167613592.db2.gz OZPOVGNAZCFRFC-BDAKNGLRSA-N -1 1 302.342 0.503 20 0 DCADMM Nc1n[nH]c(CCCNc2cnc(F)cn2)c1-c1nn[n-]n1 ZINC001592751883 1167629882 /nfs/dbraw/zinc/62/98/82/1167629882.db2.gz JVXUIDKUKPIXDP-UHFFFAOYSA-N -1 1 304.293 0.146 20 0 DCADMM Nc1nccc([C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001592762359 1167637686 /nfs/dbraw/zinc/63/76/86/1167637686.db2.gz IZMHSZPFVZFFAE-VIFPVBQESA-N -1 1 324.352 0.413 20 0 DCADMM Nc1nccc([C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001592762359 1167637691 /nfs/dbraw/zinc/63/76/91/1167637691.db2.gz IZMHSZPFVZFFAE-VIFPVBQESA-N -1 1 324.352 0.413 20 0 DCADMM O=C(/C=C\[C@H]1CCOC1)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592794121 1167641600 /nfs/dbraw/zinc/64/16/00/1167641600.db2.gz HXZMHNSVUACDMC-JQSQLHRZSA-N -1 1 307.335 0.959 20 0 DCADMM O=C(/C=C\[C@H]1CCOC1)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592794121 1167641605 /nfs/dbraw/zinc/64/16/05/1167641605.db2.gz HXZMHNSVUACDMC-JQSQLHRZSA-N -1 1 307.335 0.959 20 0 DCADMM O=C(C1CCC1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001592778591 1167642829 /nfs/dbraw/zinc/64/28/29/1167642829.db2.gz HPSNCMKEHBDZDS-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CCC1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001592778591 1167642831 /nfs/dbraw/zinc/64/28/31/1167642831.db2.gz HPSNCMKEHBDZDS-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C=Cc1ccc[nH]1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592794371 1167643445 /nfs/dbraw/zinc/64/34/45/1167643445.db2.gz PGDSRJKDFFSXNK-ARJAWSKDSA-N -1 1 301.335 0.981 20 0 DCADMM O=C(C=Cc1ccc[nH]1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592794371 1167643449 /nfs/dbraw/zinc/64/34/49/1167643449.db2.gz PGDSRJKDFFSXNK-ARJAWSKDSA-N -1 1 301.335 0.981 20 0 DCADMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592819170 1167644967 /nfs/dbraw/zinc/64/49/67/1167644967.db2.gz YKHLZWSTCBJRIO-WPRPVWTQSA-N -1 1 303.326 0.876 20 0 DCADMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592819170 1167644971 /nfs/dbraw/zinc/64/49/71/1167644971.db2.gz YKHLZWSTCBJRIO-WPRPVWTQSA-N -1 1 303.326 0.876 20 0 DCADMM O=C(C[C@H]1C=CCCC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592812580 1167645124 /nfs/dbraw/zinc/64/51/24/1167645124.db2.gz IVJUMJJYQVSCPM-JTQLQIEISA-N -1 1 302.342 0.321 20 0 DCADMM O=C(CCC(F)F)NCCNc1nccnc1-c1nnn[n-]1 ZINC001592829385 1167647102 /nfs/dbraw/zinc/64/71/02/1167647102.db2.gz XEHKGBMXSLAMNY-UHFFFAOYSA-N -1 1 312.284 0.230 20 0 DCADMM O=C(CCC(F)F)NCCNc1nccnc1-c1nn[n-]n1 ZINC001592829385 1167647105 /nfs/dbraw/zinc/64/71/05/1167647105.db2.gz XEHKGBMXSLAMNY-UHFFFAOYSA-N -1 1 312.284 0.230 20 0 DCADMM O=C(CN1CCCNC1=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592865759 1167652406 /nfs/dbraw/zinc/65/24/06/1167652406.db2.gz BMPOMEJLAFTUDQ-UHFFFAOYSA-N -1 1 322.350 0.387 20 0 DCADMM O=C(CNc1cncc(-c2nnn[n-]2)n1)NCc1ccccc1 ZINC001592878525 1167655891 /nfs/dbraw/zinc/65/58/91/1167655891.db2.gz JCYWWBBCDODCMO-UHFFFAOYSA-N -1 1 310.321 0.385 20 0 DCADMM O=C(CNc1cncc(-c2nn[n-]n2)n1)NCc1ccccc1 ZINC001592878525 1167655906 /nfs/dbraw/zinc/65/59/06/1167655906.db2.gz JCYWWBBCDODCMO-UHFFFAOYSA-N -1 1 310.321 0.385 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC1CCOCC1 ZINC001592914455 1167662855 /nfs/dbraw/zinc/66/28/55/1167662855.db2.gz CMTGTGOAQSNJLM-UHFFFAOYSA-N -1 1 303.322 0.774 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC1CCOCC1 ZINC001592914455 1167662861 /nfs/dbraw/zinc/66/28/61/1167662861.db2.gz CMTGTGOAQSNJLM-UHFFFAOYSA-N -1 1 303.322 0.774 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC1CCC(O)CC1 ZINC001592914006 1167663064 /nfs/dbraw/zinc/66/30/64/1167663064.db2.gz NLMPQDOWLJUKDP-UHFFFAOYSA-N -1 1 316.365 0.472 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC1CCC(O)CC1 ZINC001592914006 1167663069 /nfs/dbraw/zinc/66/30/69/1167663069.db2.gz NLMPQDOWLJUKDP-UHFFFAOYSA-N -1 1 316.365 0.472 20 0 DCADMM O=C(Cc1cc(C2CC2)no1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592911383 1167663781 /nfs/dbraw/zinc/66/37/81/1167663781.db2.gz QSLXSAZWHVZXMW-UHFFFAOYSA-N -1 1 300.282 0.636 20 0 DCADMM O=C(Cc1cc(C2CC2)no1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592911383 1167663784 /nfs/dbraw/zinc/66/37/84/1167663784.db2.gz QSLXSAZWHVZXMW-UHFFFAOYSA-N -1 1 300.282 0.636 20 0 DCADMM O=C(N[C@@H](CO)C[C@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001592953843 1167672347 /nfs/dbraw/zinc/67/23/47/1167672347.db2.gz PXVKUTQXAMBOKC-NXEZZACHSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@@H](CO)C[C@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001592953843 1167672352 /nfs/dbraw/zinc/67/23/52/1167672352.db2.gz PXVKUTQXAMBOKC-NXEZZACHSA-N -1 1 307.310 0.120 20 0 DCADMM O=C(N[C@@H](CO)Cc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592954020 1167674782 /nfs/dbraw/zinc/67/47/82/1167674782.db2.gz BUFWJQGHRFLJJE-CYBMUJFWSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(N[C@@H](CO)Cc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592954020 1167674783 /nfs/dbraw/zinc/67/47/83/1167674783.db2.gz BUFWJQGHRFLJJE-CYBMUJFWSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(N[C@@H](CO)C[C@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001592953859 1167675115 /nfs/dbraw/zinc/67/51/15/1167675115.db2.gz QOKUOVNTRNBULC-NXEZZACHSA-N -1 1 323.378 0.588 20 0 DCADMM O=C(NC1CC(N2CCOCC2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592966140 1167676734 /nfs/dbraw/zinc/67/67/34/1167676734.db2.gz SSTLMXQFYJZQHL-UHFFFAOYSA-N -1 1 318.337 0.053 20 0 DCADMM O=C(NC1CC(N2CCOCC2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592966140 1167676736 /nfs/dbraw/zinc/67/67/36/1167676736.db2.gz SSTLMXQFYJZQHL-UHFFFAOYSA-N -1 1 318.337 0.053 20 0 DCADMM O=C(N[C@H]1CCn2ccnc21)c1csc(-c2nn[n-]n2)c1 ZINC001592996760 1167682435 /nfs/dbraw/zinc/68/24/35/1167682435.db2.gz MTXWPUQHFXGKBW-QMMMGPOBSA-N -1 1 301.335 1.000 20 0 DCADMM O=C(NC[C@H](O)c1cccnc1)c1ccsc1-c1nnn[n-]1 ZINC001593013802 1167689355 /nfs/dbraw/zinc/68/93/55/1167689355.db2.gz LKYXODIQOIQKFW-JTQLQIEISA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@H](O)c1cccnc1)c1ccsc1-c1nn[n-]n1 ZINC001593013802 1167689357 /nfs/dbraw/zinc/68/93/57/1167689357.db2.gz LKYXODIQOIQKFW-JTQLQIEISA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NCCCCO)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593068952 1167697428 /nfs/dbraw/zinc/69/74/28/1167697428.db2.gz ODCNIVYMULIJQC-UHFFFAOYSA-N -1 1 300.322 0.850 20 0 DCADMM O=C(NCCCNc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CC12CC2 ZINC001593076298 1167700971 /nfs/dbraw/zinc/70/09/71/1167700971.db2.gz PHNANKHFBREREM-VIFPVBQESA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCCNc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CC12CC2 ZINC001593076298 1167700983 /nfs/dbraw/zinc/70/09/83/1167700983.db2.gz PHNANKHFBREREM-VIFPVBQESA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCc1ccc(CO)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593104029 1167709592 /nfs/dbraw/zinc/70/95/92/1167709592.db2.gz FYZYWIVKXIHLFK-UHFFFAOYSA-N -1 1 313.317 0.925 20 0 DCADMM O=C(NCCc1ccc(CO)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593104029 1167709598 /nfs/dbraw/zinc/70/95/98/1167709598.db2.gz FYZYWIVKXIHLFK-UHFFFAOYSA-N -1 1 313.317 0.925 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@H]1CCC[C@@H](F)C1 ZINC001593110275 1167711390 /nfs/dbraw/zinc/71/13/90/1167711390.db2.gz VFGQFJRECPHNQD-DTWKUNHWSA-N -1 1 308.321 0.103 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCC[C@H](F)C1 ZINC001593110274 1167713471 /nfs/dbraw/zinc/71/34/71/1167713471.db2.gz VFGQFJRECPHNQD-BDAKNGLRSA-N -1 1 308.321 0.103 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H]1C=C[C@H](CO)C1 ZINC001593136826 1167720416 /nfs/dbraw/zinc/72/04/16/1167720416.db2.gz WWRNKZDYRNLGNA-DTWKUNHWSA-N -1 1 320.378 0.664 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1coc(CO)c1 ZINC001593146410 1167723626 /nfs/dbraw/zinc/72/36/26/1167723626.db2.gz OFCJONJNUDXJPG-UHFFFAOYSA-N -1 1 300.278 0.277 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1coc(CO)c1 ZINC001593146410 1167723627 /nfs/dbraw/zinc/72/36/27/1167723627.db2.gz OFCJONJNUDXJPG-UHFFFAOYSA-N -1 1 300.278 0.277 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1c(F)ccnc1F ZINC001593152115 1167727207 /nfs/dbraw/zinc/72/72/07/1167727207.db2.gz XNGFQTSCXXUWQC-UHFFFAOYSA-N -1 1 323.288 0.926 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1c(F)ccnc1F ZINC001593152115 1167727215 /nfs/dbraw/zinc/72/72/15/1167727215.db2.gz XNGFQTSCXXUWQC-UHFFFAOYSA-N -1 1 323.288 0.926 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cccc[n+]1[O-] ZINC001593196188 1167734198 /nfs/dbraw/zinc/73/41/98/1167734198.db2.gz LCDLQJPMFMZUKQ-UHFFFAOYSA-N -1 1 312.293 0.353 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc2nc[nH]c(=O)c21 ZINC001593199335 1167734384 /nfs/dbraw/zinc/73/43/84/1167734384.db2.gz KMDWHZWMKDQPKD-UHFFFAOYSA-N -1 1 323.276 0.491 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc2nc[nH]c(=O)c21 ZINC001593199335 1167734392 /nfs/dbraw/zinc/73/43/92/1167734392.db2.gz KMDWHZWMKDQPKD-UHFFFAOYSA-N -1 1 323.276 0.491 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1c[nH]nc1-c1cccnc1 ZINC001593197049 1167735177 /nfs/dbraw/zinc/73/51/77/1167735177.db2.gz DYCBKAGPPFPCQU-UHFFFAOYSA-N -1 1 322.292 0.627 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(NC2CC2)nc1 ZINC001593197875 1167735618 /nfs/dbraw/zinc/73/56/18/1167735618.db2.gz PUZAXTUSDPGDKG-UHFFFAOYSA-N -1 1 311.309 0.811 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(NC2CC2)nc1 ZINC001593197875 1167735627 /nfs/dbraw/zinc/73/56/27/1167735627.db2.gz PUZAXTUSDPGDKG-UHFFFAOYSA-N -1 1 311.309 0.811 20 0 DCADMM O=C(Nc1ccn2nccc2n1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593253806 1167743118 /nfs/dbraw/zinc/74/31/18/1167743118.db2.gz KJKPXMGQXBUOEC-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1ccn2nccc2n1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593253806 1167743124 /nfs/dbraw/zinc/74/31/24/1167743124.db2.gz KJKPXMGQXBUOEC-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1cccc2c1C(=O)NC2)c1coc(-c2nnn[n-]2)c1 ZINC001593248782 1167743471 /nfs/dbraw/zinc/74/34/71/1167743471.db2.gz FIBVHUKQLBTXSU-UHFFFAOYSA-N -1 1 310.273 0.955 20 0 DCADMM O=C(Nc1cccc2c1C(=O)NC2)c1coc(-c2nn[n-]n2)c1 ZINC001593248782 1167743480 /nfs/dbraw/zinc/74/34/80/1167743480.db2.gz FIBVHUKQLBTXSU-UHFFFAOYSA-N -1 1 310.273 0.955 20 0 DCADMM O=C(Nc1c[nH]ccc1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001593258890 1167746591 /nfs/dbraw/zinc/74/65/91/1167746591.db2.gz WBUNHYFFYQPJFZ-UHFFFAOYSA-N -1 1 300.253 0.946 20 0 DCADMM O=C(Nc1c[nH]ccc1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001593258890 1167746600 /nfs/dbraw/zinc/74/66/00/1167746600.db2.gz WBUNHYFFYQPJFZ-UHFFFAOYSA-N -1 1 300.253 0.946 20 0 DCADMM O=C(Nc1nnn[n-]1)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1 ZINC001593270081 1167749346 /nfs/dbraw/zinc/74/93/46/1167749346.db2.gz SRQUOBLEPGYWNZ-UHFFFAOYSA-N -1 1 315.272 0.189 20 0 DCADMM O=C(Nc1nn[n-]n1)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1 ZINC001593270081 1167749353 /nfs/dbraw/zinc/74/93/53/1167749353.db2.gz SRQUOBLEPGYWNZ-UHFFFAOYSA-N -1 1 315.272 0.189 20 0 DCADMM O=C([O-])[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001593279241 1167753669 /nfs/dbraw/zinc/75/36/69/1167753669.db2.gz ZJWUFOYFJIRBFA-AOOOYVTPSA-N -1 1 302.338 0.995 20 0 DCADMM O=C([O-])[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001593279241 1167753678 /nfs/dbraw/zinc/75/36/78/1167753678.db2.gz ZJWUFOYFJIRBFA-AOOOYVTPSA-N -1 1 302.338 0.995 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCOC1 ZINC001593280040 1167754606 /nfs/dbraw/zinc/75/46/06/1167754606.db2.gz BTAUPVPLYXIQOW-SECBINFHSA-N -1 1 303.278 0.024 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCOC1 ZINC001593280040 1167754614 /nfs/dbraw/zinc/75/46/14/1167754614.db2.gz BTAUPVPLYXIQOW-SECBINFHSA-N -1 1 303.278 0.024 20 0 DCADMM O=C(OC[C@H]1CC(=O)N(C2CC2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001593283670 1167758031 /nfs/dbraw/zinc/75/80/31/1167758031.db2.gz CAXFIYQLDQDOTR-QMMMGPOBSA-N -1 1 317.305 0.627 20 0 DCADMM O=C(OC[C@H]1CC(=O)N(C2CC2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001593283670 1167758036 /nfs/dbraw/zinc/75/80/36/1167758036.db2.gz CAXFIYQLDQDOTR-QMMMGPOBSA-N -1 1 317.305 0.627 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H]1C1OCCO1 ZINC001593339086 1167777877 /nfs/dbraw/zinc/77/78/77/1167777877.db2.gz MWVADJLBHVQJIN-QMMMGPOBSA-N -1 1 305.294 0.437 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H]1C1OCCO1 ZINC001593339086 1167777888 /nfs/dbraw/zinc/77/78/88/1167777888.db2.gz MWVADJLBHVQJIN-QMMMGPOBSA-N -1 1 305.294 0.437 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@](O)(C2CC2)C1 ZINC001593336818 1167779996 /nfs/dbraw/zinc/77/99/96/1167779996.db2.gz DNZXXAACGNJHKH-AWEZNQCLSA-N -1 1 300.322 0.249 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@](O)(C2CC2)C1 ZINC001593336818 1167780005 /nfs/dbraw/zinc/78/00/05/1167780005.db2.gz DNZXXAACGNJHKH-AWEZNQCLSA-N -1 1 300.322 0.249 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCc2n[nH]cc2C1 ZINC001593359095 1167784179 /nfs/dbraw/zinc/78/41/79/1167784179.db2.gz WPNNIFHEXYCTMH-UHFFFAOYSA-N -1 1 310.321 0.573 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCc2c[nH]nc2C1 ZINC001593349650 1167786116 /nfs/dbraw/zinc/78/61/16/1167786116.db2.gz ATUUCMGKSCETEQ-UHFFFAOYSA-N -1 1 313.296 0.927 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCc2c[nH]nc2C1 ZINC001593349650 1167786120 /nfs/dbraw/zinc/78/61/20/1167786120.db2.gz ATUUCMGKSCETEQ-UHFFFAOYSA-N -1 1 313.296 0.927 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC(O)(c2ccccc2)C1 ZINC001593366785 1167789245 /nfs/dbraw/zinc/78/92/45/1167789245.db2.gz ARHVVSOTWNBGPR-UHFFFAOYSA-N -1 1 311.301 0.803 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC(O)(c2ccccc2)C1 ZINC001593366785 1167789256 /nfs/dbraw/zinc/78/92/56/1167789256.db2.gz ARHVVSOTWNBGPR-UHFFFAOYSA-N -1 1 311.301 0.803 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC2(CNC(=O)C2)CC1 ZINC001593384923 1167794316 /nfs/dbraw/zinc/79/43/16/1167794316.db2.gz WQYBPOKYCYIQDP-UHFFFAOYSA-N -1 1 316.321 0.202 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC2(CNC(=O)C2)CC1 ZINC001593384923 1167794320 /nfs/dbraw/zinc/79/43/20/1167794320.db2.gz WQYBPOKYCYIQDP-UHFFFAOYSA-N -1 1 316.321 0.202 20 0 DCADMM O=C1C[C@@H]([C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CN1 ZINC001593382826 1167795795 /nfs/dbraw/zinc/79/57/95/1167795795.db2.gz IGZQCQKAWRFOPX-MWLCHTKSSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1C[C@@H]([C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CN1 ZINC001593382826 1167795805 /nfs/dbraw/zinc/79/58/05/1167795805.db2.gz IGZQCQKAWRFOPX-MWLCHTKSSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1CCCN1C1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001593392551 1167806043 /nfs/dbraw/zinc/80/60/43/1167806043.db2.gz IJKKHULQGZAFSW-UHFFFAOYSA-N -1 1 313.365 0.853 20 0 DCADMM O=C1CCCN1C1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001593392551 1167806052 /nfs/dbraw/zinc/80/60/52/1167806052.db2.gz IJKKHULQGZAFSW-UHFFFAOYSA-N -1 1 313.365 0.853 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@H]1CCCC(=O)N1 ZINC001593395522 1167812441 /nfs/dbraw/zinc/81/24/41/1167812441.db2.gz QNZIMIKGVMPNBT-SNVBAGLBSA-N -1 1 316.321 0.016 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@H]1CCCC(=O)N1 ZINC001593395522 1167812456 /nfs/dbraw/zinc/81/24/56/1167812456.db2.gz QNZIMIKGVMPNBT-SNVBAGLBSA-N -1 1 316.321 0.016 20 0 DCADMM O=S(=O)(N[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593431581 1167835900 /nfs/dbraw/zinc/83/59/00/1167835900.db2.gz QZRXQRUPNXAKHY-SSDOTTSWSA-N -1 1 313.314 0.073 20 0 DCADMM O=S(=O)(Cc1csc(-c2nn[n-]n2)c1)NCCCF ZINC001593428666 1167837409 /nfs/dbraw/zinc/83/74/09/1167837409.db2.gz AOAOSODHJYZBML-UHFFFAOYSA-N -1 1 305.360 0.707 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H](C2CC2)C1 ZINC001593451766 1167844001 /nfs/dbraw/zinc/84/40/01/1167844001.db2.gz IZGFUYLTJVSPBH-VIFPVBQESA-N -1 1 309.351 0.880 20 0 DCADMM O=S1(=O)CCC(CCNc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001593459117 1167850934 /nfs/dbraw/zinc/85/09/34/1167850934.db2.gz BBPKWQLBTLTSBI-UHFFFAOYSA-N -1 1 322.394 0.889 20 0 DCADMM O=S1(=O)CCC(CCNc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001593459117 1167850943 /nfs/dbraw/zinc/85/09/43/1167850943.db2.gz BBPKWQLBTLTSBI-UHFFFAOYSA-N -1 1 322.394 0.889 20 0 DCADMM O=S1(=O)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001593464805 1167854899 /nfs/dbraw/zinc/85/48/99/1167854899.db2.gz WIDRVVPUYILVDU-UHFFFAOYSA-N -1 1 320.787 0.211 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1c(F)cccc1F ZINC001593489219 1167873089 /nfs/dbraw/zinc/87/30/89/1167873089.db2.gz FKSFFEOBCQFWDG-UHFFFAOYSA-N -1 1 306.232 0.456 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCO[C@@H](C2CC2)C1 ZINC001593492976 1167875282 /nfs/dbraw/zinc/87/52/82/1167875282.db2.gz RZTUDBZUDNOCSF-GFCCVEGCSA-N -1 1 302.338 0.097 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)C(F)(F)C(F)(F)F ZINC001593506532 1167885999 /nfs/dbraw/zinc/88/59/99/1167885999.db2.gz LKYKKSLMSPITCS-ZETCQYMHSA-N -1 1 324.213 0.654 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)C(F)(F)C(F)(F)F ZINC001593506532 1167886005 /nfs/dbraw/zinc/88/60/05/1167886005.db2.gz LKYKKSLMSPITCS-ZETCQYMHSA-N -1 1 324.213 0.654 20 0 DCADMM O[C@H]1CCOC2(CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001593519441 1167894684 /nfs/dbraw/zinc/89/46/84/1167894684.db2.gz NQWJAZMTAOEWJY-JTQLQIEISA-N -1 1 317.353 0.167 20 0 DCADMM O[C@H]1CCOC2(CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001593519441 1167894690 /nfs/dbraw/zinc/89/46/90/1167894690.db2.gz NQWJAZMTAOEWJY-JTQLQIEISA-N -1 1 317.353 0.167 20 0 DCADMM OC[C@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001593523191 1167896854 /nfs/dbraw/zinc/89/68/54/1167896854.db2.gz JDLPROXBRWYDKY-JTQLQIEISA-N -1 1 315.312 0.984 20 0 DCADMM OC[C@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001593523191 1167896863 /nfs/dbraw/zinc/89/68/63/1167896863.db2.gz JDLPROXBRWYDKY-JTQLQIEISA-N -1 1 315.312 0.984 20 0 DCADMM OC[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCOC1 ZINC001593525359 1167901041 /nfs/dbraw/zinc/90/10/41/1167901041.db2.gz UHZAPICGGGEXEW-DTWKUNHWSA-N -1 1 324.772 0.972 20 0 DCADMM OC[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCOC1 ZINC001593525359 1167901049 /nfs/dbraw/zinc/90/10/49/1167901049.db2.gz UHZAPICGGGEXEW-DTWKUNHWSA-N -1 1 324.772 0.972 20 0 DCADMM OC[C@H](CNc1ncncc1-c1nn[n-]n1)CC1CCOCC1 ZINC001593523768 1167901297 /nfs/dbraw/zinc/90/12/97/1167901297.db2.gz NYDJOUYODFUDPF-NSHDSACASA-N -1 1 319.369 0.494 20 0 DCADMM c1cc(-c2nnn[n-]2)nc(N2CCC3(CC2)COCCO3)c1 ZINC001593550537 1167933343 /nfs/dbraw/zinc/93/33/43/1167933343.db2.gz XNKQUDPOVMQMIS-UHFFFAOYSA-N -1 1 302.338 0.648 20 0 DCADMM c1cc(-c2nn[n-]n2)nc(N2CCC3(CC2)COCCO3)c1 ZINC001593550537 1167933351 /nfs/dbraw/zinc/93/33/51/1167933351.db2.gz XNKQUDPOVMQMIS-UHFFFAOYSA-N -1 1 302.338 0.648 20 0 DCADMM c1cc(N[C@@H](C2CCC2)[C@H]2CCOC2)nc(-c2nn[n-]n2)n1 ZINC001593558137 1167935422 /nfs/dbraw/zinc/93/54/22/1167935422.db2.gz JWBGFOCKFSVUCP-JQWIXIFHSA-N -1 1 301.354 0.696 20 0 DCADMM c1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)nc(-c2nn[n-]n2)n1 ZINC001593559047 1167935665 /nfs/dbraw/zinc/93/56/65/1167935665.db2.gz SVPSKHJZJGPHQL-MVWJERBFSA-N -1 1 313.365 0.838 20 0 DCADMM c1cc(N2CCC[C@H]([C@H]3CCOC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593560063 1167939482 /nfs/dbraw/zinc/93/94/82/1167939482.db2.gz WMPIEJDNSGAMCY-QWRGUYRKSA-N -1 1 301.354 0.910 20 0 DCADMM c1cn([C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001593582406 1167949763 /nfs/dbraw/zinc/94/97/63/1167949763.db2.gz PRVOSESHIQSJCV-SNVBAGLBSA-N -1 1 312.341 0.480 20 0 DCADMM c1cnc2c(n1)CCN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001593587323 1167951416 /nfs/dbraw/zinc/95/14/16/1167951416.db2.gz HFJISCSLHCEYPQ-UHFFFAOYSA-N -1 1 321.348 0.887 20 0 DCADMM c1cnc2c(n1)CCN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001593587323 1167951421 /nfs/dbraw/zinc/95/14/21/1167951421.db2.gz HFJISCSLHCEYPQ-UHFFFAOYSA-N -1 1 321.348 0.887 20 0 DCADMM c1cnc(N[C@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001593585087 1167952470 /nfs/dbraw/zinc/95/24/70/1167952470.db2.gz UJSMTRNKUYPTBT-VIFPVBQESA-N -1 1 310.325 0.138 20 0 DCADMM c1cnc(N[C@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001593585087 1167952475 /nfs/dbraw/zinc/95/24/75/1167952475.db2.gz UJSMTRNKUYPTBT-VIFPVBQESA-N -1 1 310.325 0.138 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCSC3(CCOCC3)C2)n1 ZINC001593590332 1167954288 /nfs/dbraw/zinc/95/42/88/1167954288.db2.gz OKARYCGMHAYTLK-UHFFFAOYSA-N -1 1 319.394 0.759 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCSC3(CCOCC3)C2)n1 ZINC001593590332 1167954294 /nfs/dbraw/zinc/95/42/94/1167954294.db2.gz OKARYCGMHAYTLK-UHFFFAOYSA-N -1 1 319.394 0.759 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CCC[C@@H]([C@H]3CCOC3)C2)n1 ZINC001593591885 1167955213 /nfs/dbraw/zinc/95/52/13/1167955213.db2.gz RPMOVIHOJGHDRU-MNOVXSKESA-N -1 1 301.354 0.910 20 0 DCADMM c1ncc(N2CC(CC3CCOCC3)C2)nc1-c1nnn[n-]1 ZINC001593594050 1167956097 /nfs/dbraw/zinc/95/60/97/1167956097.db2.gz ZFHZYJAULCBKOC-UHFFFAOYSA-N -1 1 301.354 0.910 20 0 DCADMM c1ncc(N2CC(CC3CCOCC3)C2)nc1-c1nn[n-]n1 ZINC001593594050 1167956102 /nfs/dbraw/zinc/95/61/02/1167956102.db2.gz ZFHZYJAULCBKOC-UHFFFAOYSA-N -1 1 301.354 0.910 20 0 DCADMM c1ncc(-c2nnn[n-]2)nc1N[C@H]1CCOC12CCOCC2 ZINC001593594398 1167956958 /nfs/dbraw/zinc/95/69/58/1167956958.db2.gz BBVMPKNAQFPHPV-JTQLQIEISA-N -1 1 303.326 0.407 20 0 DCADMM c1ncc(-c2nn[n-]n2)nc1N[C@H]1CCOC12CCOCC2 ZINC001593594398 1167956963 /nfs/dbraw/zinc/95/69/63/1167956963.db2.gz BBVMPKNAQFPHPV-JTQLQIEISA-N -1 1 303.326 0.407 20 0 DCADMM c1ncc(N2CCO[C@@H]([C@H]3CCCO3)C2)nc1-c1nnn[n-]1 ZINC001593593955 1167957659 /nfs/dbraw/zinc/95/76/59/1167957659.db2.gz XQPBHERCYYXGSH-GHMZBOCLSA-N -1 1 303.326 0.041 20 0 DCADMM c1ncc(N2CCO[C@@H]([C@H]3CCCO3)C2)nc1-c1nn[n-]n1 ZINC001593593955 1167957663 /nfs/dbraw/zinc/95/76/63/1167957663.db2.gz XQPBHERCYYXGSH-GHMZBOCLSA-N -1 1 303.326 0.041 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(NC[C@@H]2COC3(CCCC3)O2)n1 ZINC001593595483 1167959123 /nfs/dbraw/zinc/95/91/23/1167959123.db2.gz RIEDNNVKKHOXAA-SECBINFHSA-N -1 1 303.326 0.754 20 0 DCADMM CCC(CC)(CNCc1nnc(S(C)(=O)=O)s1)C(=O)[O-] ZINC001595084506 1167968176 /nfs/dbraw/zinc/96/81/76/1167968176.db2.gz UOBKQLFLPSPOHS-UHFFFAOYSA-N -1 1 321.424 0.922 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCCNC(=O)c1cccs1 ZINC001596257382 1167988507 /nfs/dbraw/zinc/98/85/07/1167988507.db2.gz XQWILTXBQYAHSW-UHFFFAOYSA-N -1 1 308.367 0.130 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1 ZINC001598397212 1168021134 /nfs/dbraw/zinc/02/11/34/1168021134.db2.gz SYXFXTLDCKVDIT-NSHDSACASA-N -1 1 320.345 0.178 20 0 DCADMM COC(=O)CCN1CCN(CCC(=O)[O-])C[C@@H]1c1cnn(C)c1 ZINC001598854268 1168044206 /nfs/dbraw/zinc/04/42/06/1168044206.db2.gz VEAJHGGMLAHFBP-CYBMUJFWSA-N -1 1 324.381 0.117 20 0 DCADMM COC(=O)Cn1cc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)nn1 ZINC001598876924 1168058378 /nfs/dbraw/zinc/05/83/78/1168058378.db2.gz WBAOQIXBQBAQSQ-UWVGGRQHSA-N -1 1 310.354 0.525 20 0 DCADMM Cc1cc(N2CC[C@@H](N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)C2=O)n(C)n1 ZINC001600238088 1168142721 /nfs/dbraw/zinc/14/27/21/1168142721.db2.gz JUYOGDIAKNAQOO-CYZMBNFOSA-N -1 1 320.393 0.876 20 0 DCADMM Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2C)cc(C(=O)[O-])c1 ZINC001600262804 1168152980 /nfs/dbraw/zinc/15/29/80/1168152980.db2.gz MWNRYMVCOHHWRO-ZDUSSCGKSA-N -1 1 319.361 0.842 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCN[C@@H](C)C1 ZINC001600350006 1168170818 /nfs/dbraw/zinc/17/08/18/1168170818.db2.gz IQLGJUKMNZWXLI-JTQLQIEISA-N -1 1 305.334 0.452 20 0 DCADMM Cc1cccc(NC(=O)CNCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001600539687 1168196723 /nfs/dbraw/zinc/19/67/23/1168196723.db2.gz WLPGROBVYTUUMP-QWHCGFSZSA-N -1 1 319.361 0.360 20 0 DCADMM Cc1cccc(NC(=O)C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c1 ZINC001600538096 1168196748 /nfs/dbraw/zinc/19/67/48/1168196748.db2.gz CNVRSMYPTOZWTH-LBPRGKRZSA-N -1 1 319.361 0.408 20 0 DCADMM Cc1cnccc1CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001600630094 1168220623 /nfs/dbraw/zinc/22/06/23/1168220623.db2.gz NCMMBQKOZZSPJV-CYBMUJFWSA-N -1 1 305.378 0.940 20 0 DCADMM Cc1n[nH]cc1C1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001600674632 1168244786 /nfs/dbraw/zinc/24/47/86/1168244786.db2.gz HWPWKXLZIIMXLQ-CQSZACIVSA-N -1 1 320.393 0.973 20 0 DCADMM Cc1nnc(CN2CCN(C[C@@H]3[C@H](C(=O)[O-])C3(F)F)CC2)[nH]1 ZINC001600701166 1168257185 /nfs/dbraw/zinc/25/71/85/1168257185.db2.gz QALIWHJFAWZROM-MWLCHTKSSA-N -1 1 315.324 0.197 20 0 DCADMM Cc1nc(CNCCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])oc1C ZINC001600701966 1168258107 /nfs/dbraw/zinc/25/81/07/1168258107.db2.gz TUVKRVMSPMVJNO-NWDGAFQWSA-N -1 1 309.366 0.950 20 0 DCADMM Cc1nnc(NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)[nH]1 ZINC001600715622 1168261756 /nfs/dbraw/zinc/26/17/56/1168261756.db2.gz VGHRIOLCBKBQOM-ZETCQYMHSA-N -1 1 313.314 0.420 20 0 DCADMM Cc1n[nH]c(NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)n1 ZINC001600715622 1168261762 /nfs/dbraw/zinc/26/17/62/1168261762.db2.gz VGHRIOLCBKBQOM-ZETCQYMHSA-N -1 1 313.314 0.420 20 0 DCADMM Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC001600770639 1168285281 /nfs/dbraw/zinc/28/52/81/1168285281.db2.gz HLRWMPZONKKBAP-PTOFAABTSA-N -1 1 310.354 0.196 20 0 DCADMM Cc1nn(C)cc1CNC/C=C\CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001600779275 1168293986 /nfs/dbraw/zinc/29/39/86/1168293986.db2.gz ZUTFMXPCCOTTHZ-JXLSXLBDSA-N -1 1 306.366 0.211 20 0 DCADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC001600784455 1168294702 /nfs/dbraw/zinc/29/47/02/1168294702.db2.gz NIPGVMVWBKFJPT-TZMCWYRMSA-N -1 1 311.382 0.150 20 0 DCADMM Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)[C@H]1CCCN1C1CC1 ZINC001600781649 1168295827 /nfs/dbraw/zinc/29/58/27/1168295827.db2.gz UVYUIJFXIUWRDG-CQSZACIVSA-N -1 1 320.393 0.828 20 0 DCADMM Cc1sc(C(=O)[O-])cc1CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001600866895 1168492480 /nfs/dbraw/zinc/49/24/80/1168492480.db2.gz BYRQPZUABQBUBW-CQSZACIVSA-N -1 1 323.374 0.929 20 0 DCADMM Cc1sc(NC(=O)C(=O)N2CCNCC2)c(C(=O)[O-])c1C ZINC001600881662 1168494252 /nfs/dbraw/zinc/49/42/52/1168494252.db2.gz SJLAKHVZYOEVSW-UHFFFAOYSA-N -1 1 311.363 0.433 20 0 DCADMM Cn1c(=O)c(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cc2ccccc21 ZINC001600895574 1168497186 /nfs/dbraw/zinc/49/71/86/1168497186.db2.gz DKVJVNVCPWZIEN-GXTWGEPZSA-N -1 1 302.330 0.558 20 0 DCADMM Cn1c(CNCc2ccc(-n3cncn3)nc2)ccc1C(=O)[O-] ZINC001600916446 1168506917 /nfs/dbraw/zinc/50/69/17/1168506917.db2.gz SSHWLNRQLKJNFV-UHFFFAOYSA-N -1 1 312.333 0.989 20 0 DCADMM Cn1cc(N2CCC[C@@H](NCc3cc(C(=O)[O-])no3)C2)cn1 ZINC001600958438 1168532365 /nfs/dbraw/zinc/53/23/65/1168532365.db2.gz KVPLRELUOAZZGP-SNVBAGLBSA-N -1 1 305.338 0.865 20 0 DCADMM Cn1cncc1CN1CCC2(CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC001600993829 1168550951 /nfs/dbraw/zinc/55/09/51/1168550951.db2.gz ZPSPOUNYERIECG-QWHCGFSZSA-N -1 1 318.377 0.175 20 0 DCADMM NC(=O)N[C@H]1CCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC001601156984 1168610119 /nfs/dbraw/zinc/61/01/19/1168610119.db2.gz BVOSHSSISSPICQ-YIALFULDSA-N -1 1 319.361 0.906 20 0 DCADMM NC(=O)c1ccccc1NC(=O)CN1CC2CC1(C(=O)[O-])C2 ZINC001601169536 1168618717 /nfs/dbraw/zinc/61/87/17/1168618717.db2.gz CEENYFLRGXOTPJ-UHFFFAOYSA-N -1 1 303.318 0.273 20 0 DCADMM NCc1ccc(C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])o1 ZINC001601190545 1168642301 /nfs/dbraw/zinc/64/23/01/1168642301.db2.gz JTRVWTPJHLIHIG-LLVKDONJSA-N -1 1 303.318 0.807 20 0 DCADMM O=C([O-])[C@@H](CNC(=O)CCN1CC[C@H](F)C1)Cc1ccncc1 ZINC001601274650 1168686705 /nfs/dbraw/zinc/68/67/05/1168686705.db2.gz JRELQINTRVYEDL-KGLIPLIRSA-N -1 1 323.368 0.875 20 0 DCADMM O=C([O-])[C@]1(O)CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC001601304233 1168697883 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/nfs/dbraw/zinc/96/43/70/1169964370.db2.gz IYRGOICRQGRVOD-UHFFFAOYSA-N -1 1 311.371 0.200 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCS(=O)(=O)C(C)C)n1 ZINC001605580707 1169964377 /nfs/dbraw/zinc/96/43/77/1169964377.db2.gz IYRGOICRQGRVOD-UHFFFAOYSA-N -1 1 311.371 0.200 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCNC(=O)C2(C)CC2)n1 ZINC001605578856 1169964612 /nfs/dbraw/zinc/96/46/12/1169964612.db2.gz VBXSFNFDRBSGNS-UHFFFAOYSA-N -1 1 316.369 0.683 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCNC(=O)C2(C)CC2)n1 ZINC001605578856 1169964614 /nfs/dbraw/zinc/96/46/14/1169964614.db2.gz VBXSFNFDRBSGNS-UHFFFAOYSA-N -1 1 316.369 0.683 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCNC(=O)C2CC2)n1 ZINC001605578146 1169964624 /nfs/dbraw/zinc/96/46/24/1169964624.db2.gz GWDREJKEQJUJSU-UHFFFAOYSA-N -1 1 302.342 0.293 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCNC(=O)C2CC2)n1 ZINC001605578146 1169964629 /nfs/dbraw/zinc/96/46/29/1169964629.db2.gz GWDREJKEQJUJSU-UHFFFAOYSA-N -1 1 302.342 0.293 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2nnc3n2CCCC3)n1 ZINC001605583841 1169965939 /nfs/dbraw/zinc/96/59/39/1169965939.db2.gz PKWNABAMFMGDNI-UHFFFAOYSA-N -1 1 312.341 0.505 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2nnc3n2CCCC3)n1 ZINC001605583841 1169965942 /nfs/dbraw/zinc/96/59/42/1169965942.db2.gz PKWNABAMFMGDNI-UHFFFAOYSA-N -1 1 312.341 0.505 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(SCCN2CCOCC2)n1 ZINC001605585264 1169966189 /nfs/dbraw/zinc/96/61/89/1169966189.db2.gz MZYXMSVDXGZDIL-UHFFFAOYSA-N -1 1 307.383 0.389 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(SCCN2CCOCC2)n1 ZINC001605585264 1169966193 /nfs/dbraw/zinc/96/61/93/1169966193.db2.gz MZYXMSVDXGZDIL-UHFFFAOYSA-N -1 1 307.383 0.389 20 0 DCADMM Cc1cc(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)ccn1 ZINC001605656577 1169981825 /nfs/dbraw/zinc/98/18/25/1169981825.db2.gz MAKPUCNNVXAIQL-SECBINFHSA-N -1 1 313.325 0.039 20 0 DCADMM Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001605698304 1169987873 /nfs/dbraw/zinc/98/78/73/1169987873.db2.gz WCCWHOOSPNFLLS-VIFPVBQESA-N -1 1 308.367 0.193 20 0 DCADMM Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605698304 1169987879 /nfs/dbraw/zinc/98/78/79/1169987879.db2.gz WCCWHOOSPNFLLS-VIFPVBQESA-N -1 1 308.367 0.193 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1NC[C@@H]1CCCS1(=O)=O ZINC001605804532 1170007352 /nfs/dbraw/zinc/00/73/52/1170007352.db2.gz MJSIWYQNSPGDOJ-VIFPVBQESA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H]1CCCS1(=O)=O ZINC001605804532 1170007356 /nfs/dbraw/zinc/00/73/56/1170007356.db2.gz MJSIWYQNSPGDOJ-VIFPVBQESA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(F)c1F ZINC001605840459 1170009350 /nfs/dbraw/zinc/00/93/50/1170009350.db2.gz QRYYYUODAWPERV-UHFFFAOYSA-N -1 1 305.248 0.921 20 0 DCADMM CCc1nc(C)ncc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001605848857 1170011025 /nfs/dbraw/zinc/01/10/25/1170011025.db2.gz RMVONSOOJFDZPY-LBPRGKRZSA-N -1 1 303.322 0.496 20 0 DCADMM CCc1nc(C)ncc1C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001605848594 1170011147 /nfs/dbraw/zinc/01/11/47/1170011147.db2.gz JMUDBBWNVRSNJT-LLVKDONJSA-N -1 1 306.366 0.436 20 0 DCADMM CCc1nc(CNC(=O)NCc2cc(C(=O)[O-])c(C)n2C)n[nH]1 ZINC001605850622 1170013671 /nfs/dbraw/zinc/01/36/71/1170013671.db2.gz RZGROLFUXAWFAB-UHFFFAOYSA-N -1 1 320.353 0.712 20 0 DCADMM CCc1ncc(CN2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])cn1 ZINC001605861210 1170015233 /nfs/dbraw/zinc/01/52/33/1170015233.db2.gz KVYUXXDJHYGJQJ-RYUDHWBXSA-N -1 1 307.350 0.877 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2CCCc3n[nH]cc32)c1-c1nn[n-]n1 ZINC001606013228 1170049531 /nfs/dbraw/zinc/04/95/31/1170049531.db2.gz IREOQFRQLJTRCC-ZETCQYMHSA-N -1 1 313.325 0.680 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](CCC(N)=O)C2)n1 ZINC001606021495 1170052656 /nfs/dbraw/zinc/05/26/56/1170052656.db2.gz UYAGYLHDNYSKFA-JTQLQIEISA-N -1 1 316.369 0.447 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](CCC(N)=O)C2)n1 ZINC001606021495 1170052660 /nfs/dbraw/zinc/05/26/60/1170052660.db2.gz UYAGYLHDNYSKFA-JTQLQIEISA-N -1 1 316.369 0.447 20 0 DCADMM CN(C)c1nc(N)nc(CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)n1 ZINC001606079559 1170072164 /nfs/dbraw/zinc/07/21/64/1170072164.db2.gz GJWQQOCOPYMZSI-XPTSAGLGSA-N -1 1 306.370 0.207 20 0 DCADMM Cc1nccc(CNC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001606093586 1170074501 /nfs/dbraw/zinc/07/45/01/1170074501.db2.gz XFMDUNQWPYGKPN-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1ncc(NC(=O)c2ccc(-c3nn[nH]n3)o2)cc1C(N)=O ZINC001606092169 1170074824 /nfs/dbraw/zinc/07/48/24/1170074824.db2.gz NALLUGWDWSVXFL-UHFFFAOYSA-N -1 1 313.277 0.514 20 0 DCADMM Cc1ncc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1C(N)=O ZINC001606092169 1170074830 /nfs/dbraw/zinc/07/48/30/1170074830.db2.gz NALLUGWDWSVXFL-UHFFFAOYSA-N -1 1 313.277 0.514 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](O)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001606107770 1170077649 /nfs/dbraw/zinc/07/76/49/1170077649.db2.gz SKVBTZUMZUYSST-JTQLQIEISA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](O)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001606107770 1170077656 /nfs/dbraw/zinc/07/76/56/1170077656.db2.gz SKVBTZUMZUYSST-JTQLQIEISA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nn(C)c2c1N(C(=O)c1ccc(-c3nn[n-]n3)o1)CCO2 ZINC001606112331 1170078693 /nfs/dbraw/zinc/07/86/93/1170078693.db2.gz HWNWNERCSMWTQS-UHFFFAOYSA-N -1 1 315.293 0.541 20 0 DCADMM Cc1nnsc1CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606126687 1170086601 /nfs/dbraw/zinc/08/66/01/1170086601.db2.gz FFZXSACEYMCFGI-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nnsc1CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606126687 1170086610 /nfs/dbraw/zinc/08/66/10/1170086610.db2.gz FFZXSACEYMCFGI-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nsc(N2CCc3c(n(C)[nH]c3=O)C2)c1-c1nn[n-]n1 ZINC001606148056 1170093591 /nfs/dbraw/zinc/09/35/91/1170093591.db2.gz MCXGCFVSEOPFRB-UHFFFAOYSA-N -1 1 318.366 0.633 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H](CO)C[C@H](C)C1 ZINC001606166354 1170098542 /nfs/dbraw/zinc/09/85/42/1170098542.db2.gz QIZZYFPIIHBFGC-WCBMZHEXSA-N -1 1 305.338 0.859 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H](CO)C[C@H](C)C1 ZINC001606166354 1170098551 /nfs/dbraw/zinc/09/85/51/1170098551.db2.gz QIZZYFPIIHBFGC-WCBMZHEXSA-N -1 1 305.338 0.859 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](C)[C@@](C)(CO)C2)c1-c1nnn[n-]1 ZINC001606178228 1170104124 /nfs/dbraw/zinc/10/41/24/1170104124.db2.gz CLMJOTYHEWXQNQ-XLKFXECMSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](C)[C@@](C)(CO)C2)c1-c1nn[n-]n1 ZINC001606178228 1170104126 /nfs/dbraw/zinc/10/41/26/1170104126.db2.gz CLMJOTYHEWXQNQ-XLKFXECMSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2CCc3ccncc32)c1-c1nnn[n-]1 ZINC001606179756 1170104693 /nfs/dbraw/zinc/10/46/93/1170104693.db2.gz DVJXOERHKYZPAH-UHFFFAOYSA-N -1 1 311.305 0.690 20 0 DCADMM Cc1onc(CC(=O)N2CCc3ccncc32)c1-c1nn[n-]n1 ZINC001606179756 1170104698 /nfs/dbraw/zinc/10/46/98/1170104698.db2.gz DVJXOERHKYZPAH-UHFFFAOYSA-N -1 1 311.305 0.690 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC3(C2)CCOCC3)n1 ZINC001606223272 1170121241 /nfs/dbraw/zinc/12/12/41/1170121241.db2.gz KXAZIYXIYGDDRS-UHFFFAOYSA-N -1 1 318.341 0.245 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC3(C2)CCOCC3)n1 ZINC001606223272 1170121244 /nfs/dbraw/zinc/12/12/44/1170121244.db2.gz KXAZIYXIYGDDRS-UHFFFAOYSA-N -1 1 318.341 0.245 20 0 DCADMM Cn1cc(C(C)(C)NC(=O)c2coc(-c3nnn[n-]3)c2)nn1 ZINC001606232494 1170126506 /nfs/dbraw/zinc/12/65/06/1170126506.db2.gz QRIXXEGAESHOSS-UHFFFAOYSA-N -1 1 302.298 0.253 20 0 DCADMM Cn1cc(C(C)(C)NC(=O)c2coc(-c3nn[n-]n3)c2)nn1 ZINC001606232494 1170126509 /nfs/dbraw/zinc/12/65/09/1170126509.db2.gz QRIXXEGAESHOSS-UHFFFAOYSA-N -1 1 302.298 0.253 20 0 DCADMM CN1CCN(C)CCN(C(=O)CCc2ocnc2C(=O)[O-])CC1 ZINC001606237952 1170130794 /nfs/dbraw/zinc/13/07/94/1170130794.db2.gz LBNMQEVYRBKQQX-UHFFFAOYSA-N -1 1 324.381 0.011 20 0 DCADMM CN1CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)CC1(C)C ZINC001606239792 1170132719 /nfs/dbraw/zinc/13/27/19/1170132719.db2.gz WUTGRZDWRYNMAF-UHFFFAOYSA-N -1 1 306.366 0.744 20 0 DCADMM CN1CCN(Cc2cn(Cc3ncccc3C(=O)[O-])nn2)CC1 ZINC001606245089 1170134101 /nfs/dbraw/zinc/13/41/01/1170134101.db2.gz WLIKGJDXEKTPPX-UHFFFAOYSA-N -1 1 316.365 0.167 20 0 DCADMM Cn1ccc(CCOC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001606250325 1170137653 /nfs/dbraw/zinc/13/76/53/1170137653.db2.gz PFDUQDYGWWNSCR-UHFFFAOYSA-N -1 1 313.321 0.324 20 0 DCADMM Cn1ccc(CCOC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001606250325 1170137657 /nfs/dbraw/zinc/13/76/57/1170137657.db2.gz PFDUQDYGWWNSCR-UHFFFAOYSA-N -1 1 313.321 0.324 20 0 DCADMM CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)N(C)C ZINC001606272505 1170144291 /nfs/dbraw/zinc/14/42/91/1170144291.db2.gz CWNPKXZYYNAGSM-SECBINFHSA-N -1 1 323.349 0.398 20 0 DCADMM Cn1nccc1C[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001606282665 1170148158 /nfs/dbraw/zinc/14/81/58/1170148158.db2.gz QEVGSJWKVUOIMN-NSHDSACASA-N -1 1 311.353 0.602 20 0 DCADMM COC(=O)[C@H]1C[C@@H](O)CN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001606378853 1170175289 /nfs/dbraw/zinc/17/52/89/1170175289.db2.gz XFCURIJYYYCIQA-QWHCGFSZSA-N -1 1 323.345 0.506 20 0 DCADMM COC(=O)[C@@H]1C[C@@H](O)CN(CCOc2ccccc2C(=O)[O-])C1 ZINC001606379039 1170175403 /nfs/dbraw/zinc/17/54/03/1170175403.db2.gz ZMEYGWGXHLWASR-VXGBXAGGSA-N -1 1 323.345 0.619 20 0 DCADMM COC(=O)[C@@H]1CCN(CCOC(=O)N(C)C)[C@@H](C(=O)[O-])C1 ZINC001606408247 1170188428 /nfs/dbraw/zinc/18/84/28/1170188428.db2.gz AXAJBXMJYFPHCF-NXEZZACHSA-N -1 1 302.327 0.023 20 0 DCADMM NC(=O)C12CCC(CC1)N2c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001606409986 1170190043 /nfs/dbraw/zinc/19/00/43/1170190043.db2.gz OEYCDTNSZASJLO-UHFFFAOYSA-N -1 1 319.756 0.902 20 0 DCADMM NC(=O)C12CCC(CC1)N2c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001606409986 1170190045 /nfs/dbraw/zinc/19/00/45/1170190045.db2.gz OEYCDTNSZASJLO-UHFFFAOYSA-N -1 1 319.756 0.902 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@@H]1C(=O)[O-] ZINC001606428047 1170197722 /nfs/dbraw/zinc/19/77/22/1170197722.db2.gz AGCLEODSTGMCSF-NWDGAFQWSA-N -1 1 309.366 0.944 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001606444843 1170204180 /nfs/dbraw/zinc/20/41/80/1170204180.db2.gz DDCCFJQBTJQPDL-QMMMGPOBSA-N -1 1 303.326 0.777 20 0 DCADMM COC(=O)CCN1CCN(Cc2ccc(C(=O)[O-])cn2)[C@@H](C)C1 ZINC001606454852 1170211689 /nfs/dbraw/zinc/21/16/89/1170211689.db2.gz ONIHBQHOTISJBM-LBPRGKRZSA-N -1 1 321.377 0.849 20 0 DCADMM O=C(C1CC1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001606467698 1170215417 /nfs/dbraw/zinc/21/54/17/1170215417.db2.gz ZLXHGPJZNYJOCV-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C(C1CC1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001606467698 1170215420 /nfs/dbraw/zinc/21/54/20/1170215420.db2.gz ZLXHGPJZNYJOCV-VIFPVBQESA-N -1 1 300.326 0.080 20 0 DCADMM O=C(/C=C\Cn1cncn1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606480270 1170216954 /nfs/dbraw/zinc/21/69/54/1170216954.db2.gz JSBHBWTXASFJDI-UPHRSURJSA-N -1 1 316.350 0.392 20 0 DCADMM O=C(CCC1CC1)NCCNc1nccnc1-c1nnn[n-]1 ZINC001606508747 1170223726 /nfs/dbraw/zinc/22/37/26/1170223726.db2.gz HVXPDYCDHKDMTN-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(CCC1CC1)NCCNc1nccnc1-c1nn[n-]n1 ZINC001606508747 1170223731 /nfs/dbraw/zinc/22/37/31/1170223731.db2.gz HVXPDYCDHKDMTN-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM 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DCADMM Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@H]1CCN(C)C1 ZINC001607595605 1170482516 /nfs/dbraw/zinc/48/25/16/1170482516.db2.gz MSRVUHYRRMAJAF-NSHDSACASA-N -1 1 305.334 0.452 20 0 DCADMM Cc1cc([C@H](NC(=O)CCc2nn[nH]n2)C(=O)[O-])ccc1F ZINC001607611430 1170484908 /nfs/dbraw/zinc/48/49/08/1170484908.db2.gz NZKMYQFSBFTESO-LBPRGKRZSA-N -1 1 307.285 0.522 20 0 DCADMM Cc1cc(C)n2c(CN3C[C@@H](O)C[C@H](C(=O)[O-])C3)cnc2n1 ZINC001607630981 1170486075 /nfs/dbraw/zinc/48/60/75/1170486075.db2.gz CNTYTAWVJWEPIU-AAEUAGOBSA-N -1 1 304.350 0.614 20 0 DCADMM Cc1cc(NC(=O)C(=O)N[C@@H](C)c2nnc[nH]2)ccc1C(=O)[O-] ZINC001607671298 1170492289 /nfs/dbraw/zinc/49/22/89/1170492289.db2.gz ZBBQXHSVIPGHNS-QMMMGPOBSA-N -1 1 317.305 0.627 20 0 DCADMM Cc1ccc(C(=O)N[C@H](CO)Cc2cnc[nH]2)cc1C(=O)[O-] ZINC001607733470 1170501578 /nfs/dbraw/zinc/50/15/78/1170501578.db2.gz JYLJRAVPBFZFKW-LBPRGKRZSA-N -1 1 303.318 0.750 20 0 DCADMM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H]1CN(C)CCN1C ZINC001607920331 1170525244 /nfs/dbraw/zinc/52/52/44/1170525244.db2.gz KPGJMZZCFUIPIO-NSHDSACASA-N -1 1 309.366 0.191 20 0 DCADMM Cc1nc(CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)n[nH]1 ZINC001607937008 1170528650 /nfs/dbraw/zinc/52/86/50/1170528650.db2.gz QLJMDRTZMFSTGN-GFCCVEGCSA-N -1 1 310.260 0.876 20 0 DCADMM Cc1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)c(C)o1 ZINC001607958553 1170533995 /nfs/dbraw/zinc/53/39/95/1170533995.db2.gz VANSXOSEVLTMJU-KXNHARMFSA-N -1 1 307.350 0.749 20 0 DCADMM Cc1noc(Cl)c1CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001608027497 1170552554 /nfs/dbraw/zinc/55/25/54/1170552554.db2.gz VOKCEEJGJOHABH-VIFPVBQESA-N -1 1 312.713 0.714 20 0 DCADMM Cn1cc(CN2CC[C@H](NC(=O)NC3CC3)C2)cc1C(=O)[O-] ZINC001608112919 1170576433 /nfs/dbraw/zinc/57/64/33/1170576433.db2.gz RZYBUUFUJJOUSF-LBPRGKRZSA-N -1 1 306.366 0.759 20 0 DCADMM NCc1ncc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cn1 ZINC001608258495 1170634161 /nfs/dbraw/zinc/63/41/61/1170634161.db2.gz JTFWUBCSDSWDAQ-CYBMUJFWSA-N -1 1 312.329 0.587 20 0 DCADMM Nc1nc(N)nc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)n1 ZINC001608276538 1170639637 /nfs/dbraw/zinc/63/96/37/1170639637.db2.gz FDCFCZGESUMNKU-GUBZILKMSA-N -1 1 306.370 0.501 20 0 DCADMM Nc1nc(N)nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)n1 ZINC001608276538 1170639642 /nfs/dbraw/zinc/63/96/42/1170639642.db2.gz FDCFCZGESUMNKU-GUBZILKMSA-N -1 1 306.370 0.501 20 0 DCADMM O=C([O-])c1cccc(NC(=O)CN2C[C@H](CO)[C@H](CCO)C2)c1 ZINC001608327126 1170650769 /nfs/dbraw/zinc/65/07/69/1170650769.db2.gz BHXNKFPRIYMWDB-CHWSQXEVSA-N -1 1 322.361 0.246 20 0 DCADMM O=C([O-])[C@H](NC(=O)C1CN([C@H]2CCOC2)C1)C1CCCCC1 ZINC001608384289 1170666284 /nfs/dbraw/zinc/66/62/84/1170666284.db2.gz HIXXUKNWYIPLCF-UONOGXRCSA-N -1 1 310.394 0.857 20 0 DCADMM O=C([O-])C1CCN(C(=O)CN2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC001608631330 1170726238 /nfs/dbraw/zinc/72/62/38/1170726238.db2.gz GIYVIAVADHBSRG-CYBMUJFWSA-N -1 1 320.393 0.912 20 0 DCADMM O=C([O-])CCC1CCN([C@H]2CC(=O)N(CCCO)C2=O)CC1 ZINC001608708330 1170741400 /nfs/dbraw/zinc/74/14/00/1170741400.db2.gz IAXJDJSVOWPGCD-LBPRGKRZSA-N -1 1 312.366 0.073 20 0 DCADMM O=C([O-])CN1CCN(C(=O)/C=C/c2ccc(Cl)nc2)CC1 ZINC001608749284 1170749131 /nfs/dbraw/zinc/74/91/31/1170749131.db2.gz WMZYCYHZTXDZOQ-DUXPYHPUSA-N -1 1 309.753 0.977 20 0 DCADMM O=C([O-])COc1ccccc1CN[C@H]1CCCS(=O)(=O)C1 ZINC001608765599 1170752642 /nfs/dbraw/zinc/75/26/42/1170752642.db2.gz LTHKXFLMXHCOTJ-LBPRGKRZSA-N -1 1 313.375 0.817 20 0 DCADMM O=C([O-])c1cc(S(=O)(=O)N[C@@H](CCO)C2CCCC2)on1 ZINC001608859839 1170766346 /nfs/dbraw/zinc/76/63/46/1170766346.db2.gz KGNRQHKBFZZCNJ-VIFPVBQESA-N -1 1 318.351 0.592 20 0 DCADMM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)[nH]1 ZINC001608872547 1170767208 /nfs/dbraw/zinc/76/72/08/1170767208.db2.gz UJFBCGXXCMKJHW-SSDOTTSWSA-N -1 1 306.278 0.821 20 0 DCADMM O=C([O-])c1cncc(CN2CCC(O)(COCCO)CC2)c1 ZINC001608980565 1170780038 /nfs/dbraw/zinc/78/00/38/1170780038.db2.gz GJTDHJHIKKZBCK-UHFFFAOYSA-N -1 1 310.350 0.116 20 0 DCADMM O=C([O-])c1cncc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)c1 ZINC001608979584 1170780224 /nfs/dbraw/zinc/78/02/24/1170780224.db2.gz JHHIVVYYMSGVPI-UHFFFAOYSA-N -1 1 318.289 0.888 20 0 DCADMM O=C([O-])[C@]1(O)CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001609030920 1170787780 /nfs/dbraw/zinc/78/77/80/1170787780.db2.gz IBHURUVYXJEAOO-DOMZBBRYSA-N -1 1 324.764 0.967 20 0 DCADMM C[C@@H](C(=O)N1CC(C)(C)[C@H]1C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001609067704 1170797507 /nfs/dbraw/zinc/79/75/07/1170797507.db2.gz CWWAQNCWUVOFKU-WCBMZHEXSA-N -1 1 316.369 0.666 20 0 DCADMM C[C@H](C(=O)N1CCCC2(CC2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001609069164 1170798551 /nfs/dbraw/zinc/79/85/51/1170798551.db2.gz SBTNYCNKJQUEDH-SECBINFHSA-N -1 1 302.342 0.422 20 0 DCADMM C[C@H](C(=O)NCCCC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001609070974 1170799144 /nfs/dbraw/zinc/79/91/44/1170799144.db2.gz RWTUMNCUNFPGHT-SECBINFHSA-N -1 1 306.374 0.962 20 0 DCADMM C[C@@H](C(=O)N1CCC2(CCC2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001609068446 1170799189 /nfs/dbraw/zinc/79/91/89/1170799189.db2.gz JDWTZKAQWMNLLO-VIFPVBQESA-N -1 1 302.342 0.422 20 0 DCADMM C[C@@H](C(=O)Nc1ccc2c[nH]nc2c1)n1cnc(-c2nn[n-]n2)n1 ZINC001609070256 1170799296 /nfs/dbraw/zinc/79/92/96/1170799296.db2.gz LAVVPKQRUPSMBG-ZETCQYMHSA-N -1 1 324.308 0.534 20 0 DCADMM CC(C)(C)C[C@@H](CO)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609075143 1170800007 /nfs/dbraw/zinc/80/00/07/1170800007.db2.gz RHMIDDCINZWZQB-JTQLQIEISA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(C)C[C@@H](CO)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609075143 1170800015 /nfs/dbraw/zinc/80/00/15/1170800015.db2.gz RHMIDDCINZWZQB-JTQLQIEISA-N -1 1 304.354 0.789 20 0 DCADMM C[C@@H](C(=O)OCC[C@@H]1CCCO1)n1cnc(-c2nn[n-]n2)n1 ZINC001609072355 1170801133 /nfs/dbraw/zinc/80/11/33/1170801133.db2.gz MPPNTNLQCYYOGC-IUCAKERBSA-N -1 1 307.314 0.132 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N1CCCCC1=O ZINC001609114208 1170813482 /nfs/dbraw/zinc/81/34/82/1170813482.db2.gz ZRCWLPIVWFAGKS-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N1CCCCC1=O ZINC001609114208 1170813484 /nfs/dbraw/zinc/81/34/84/1170813484.db2.gz ZRCWLPIVWFAGKS-VIFPVBQESA-N -1 1 302.342 0.470 20 0 DCADMM C[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ncon1 ZINC001609121723 1170815903 /nfs/dbraw/zinc/81/59/03/1170815903.db2.gz FDWZPJFVYGQEHZ-LURJTMIESA-N -1 1 303.257 0.880 20 0 DCADMM C[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ncon1 ZINC001609121723 1170815908 /nfs/dbraw/zinc/81/59/08/1170815908.db2.gz FDWZPJFVYGQEHZ-LURJTMIESA-N -1 1 303.257 0.880 20 0 DCADMM C[C@H](Oc1cccnc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001609136162 1170822440 /nfs/dbraw/zinc/82/24/40/1170822440.db2.gz ISBDJZAMRDFNAP-QMMMGPOBSA-N -1 1 314.309 0.401 20 0 DCADMM C[C@H](Oc1cccnc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001609136162 1170822451 /nfs/dbraw/zinc/82/24/51/1170822451.db2.gz ISBDJZAMRDFNAP-QMMMGPOBSA-N -1 1 314.309 0.401 20 0 DCADMM CC1(C)CCC[C@@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609145304 1170825517 /nfs/dbraw/zinc/82/55/17/1170825517.db2.gz JULJBCMCYHLUIX-SECBINFHSA-N -1 1 304.358 0.401 20 0 DCADMM C[C@@H]1CCC[C@]1(O)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609164878 1170835250 /nfs/dbraw/zinc/83/52/50/1170835250.db2.gz YPPLMGMQJPVZCI-OTYXRUKQSA-N -1 1 317.353 0.934 20 0 DCADMM C[C@@H]1CCC[C@]1(O)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609164878 1170835257 /nfs/dbraw/zinc/83/52/57/1170835257.db2.gz YPPLMGMQJPVZCI-OTYXRUKQSA-N -1 1 317.353 0.934 20 0 DCADMM CC[C@@](NC(=O)c1ccc(-c2nnn[n-]2)o1)(C(N)=O)C(C)C ZINC001609192291 1170859089 /nfs/dbraw/zinc/85/90/89/1170859089.db2.gz BLSBRIGVSZYDCI-ZDUSSCGKSA-N -1 1 306.326 0.480 20 0 DCADMM CC[C@@](NC(=O)c1ccc(-c2nn[n-]n2)o1)(C(N)=O)C(C)C ZINC001609192291 1170859099 /nfs/dbraw/zinc/85/90/99/1170859099.db2.gz BLSBRIGVSZYDCI-ZDUSSCGKSA-N -1 1 306.326 0.480 20 0 DCADMM CC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H](C)S1(=O)=O ZINC001609202335 1170868122 /nfs/dbraw/zinc/86/81/22/1170868122.db2.gz FFYWWEAGOMSITA-IUCAKERBSA-N -1 1 323.382 0.059 20 0 DCADMM CC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H](C)S1(=O)=O ZINC001609202335 1170868130 /nfs/dbraw/zinc/86/81/30/1170868130.db2.gz FFYWWEAGOMSITA-IUCAKERBSA-N -1 1 323.382 0.059 20 0 DCADMM CCCN(CC(C)(C)O)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609212012 1170869449 /nfs/dbraw/zinc/86/94/49/1170869449.db2.gz NYSJCWCDOIGTTN-SECBINFHSA-N -1 1 322.373 0.029 20 0 DCADMM CCCCCN(CC(N)=O)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609208670 1170871649 /nfs/dbraw/zinc/87/16/49/1170871649.db2.gz IAVUJRWZNAZVGV-UHFFFAOYSA-N -1 1 320.353 0.886 20 0 DCADMM CCCCCN(CC(N)=O)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609208670 1170871656 /nfs/dbraw/zinc/87/16/56/1170871656.db2.gz IAVUJRWZNAZVGV-UHFFFAOYSA-N -1 1 320.353 0.886 20 0 DCADMM CCCONC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001609216927 1170873502 /nfs/dbraw/zinc/87/35/02/1170873502.db2.gz QWDNGOPGIZKTTJ-UHFFFAOYSA-N -1 1 323.361 0.088 20 0 DCADMM CCCONC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001609216927 1170873513 /nfs/dbraw/zinc/87/35/13/1170873513.db2.gz QWDNGOPGIZKTTJ-UHFFFAOYSA-N -1 1 323.361 0.088 20 0 DCADMM CCN(C[C@@H]1CCOC1)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001609223769 1170877026 /nfs/dbraw/zinc/87/70/26/1170877026.db2.gz KUXFDXDOFUCVHG-LBPRGKRZSA-N -1 1 318.381 0.653 20 0 DCADMM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609263361 1170902880 /nfs/dbraw/zinc/90/28/80/1170902880.db2.gz HZXWYDCYOLVNCA-WDEREUQCSA-N -1 1 315.381 0.743 20 0 DCADMM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609263361 1170902886 /nfs/dbraw/zinc/90/28/86/1170902886.db2.gz HZXWYDCYOLVNCA-WDEREUQCSA-N -1 1 315.381 0.743 20 0 DCADMM CN(CCOCCO)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001609276782 1170907859 /nfs/dbraw/zinc/90/78/59/1170907859.db2.gz KFOAYDWHEWWYTM-UHFFFAOYSA-N -1 1 314.349 0.860 20 0 DCADMM CN(CCOCCO)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001609276782 1170907862 /nfs/dbraw/zinc/90/78/62/1170907862.db2.gz KFOAYDWHEWWYTM-UHFFFAOYSA-N -1 1 314.349 0.860 20 0 DCADMM CN(c1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H]1CCN(C)C1=O ZINC001609283710 1170911497 /nfs/dbraw/zinc/91/14/97/1170911497.db2.gz LKQHKNQBFLFWGV-RXMQYKEDSA-N -1 1 313.774 0.644 20 0 DCADMM CN(c1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCN(C)C1=O ZINC001609283710 1170911499 /nfs/dbraw/zinc/91/14/99/1170911499.db2.gz LKQHKNQBFLFWGV-RXMQYKEDSA-N -1 1 313.774 0.644 20 0 DCADMM CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609286194 1170913500 /nfs/dbraw/zinc/91/35/00/1170913500.db2.gz CQQKTZIOSXKMKN-JTQLQIEISA-N -1 1 318.337 0.509 20 0 DCADMM CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609286194 1170913508 /nfs/dbraw/zinc/91/35/08/1170913508.db2.gz CQQKTZIOSXKMKN-JTQLQIEISA-N -1 1 318.337 0.509 20 0 DCADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001609297452 1170920076 /nfs/dbraw/zinc/92/00/76/1170920076.db2.gz OBGUSORSVSCKMM-MRVPVSSYSA-N -1 1 305.294 0.531 20 0 DCADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001609297452 1170920084 /nfs/dbraw/zinc/92/00/84/1170920084.db2.gz OBGUSORSVSCKMM-MRVPVSSYSA-N -1 1 305.294 0.531 20 0 DCADMM COC(=O)c1cc(CNc2n[nH]cc2-c2nnn[n-]2)cn1C ZINC001609302400 1170923799 /nfs/dbraw/zinc/92/37/99/1170923799.db2.gz KUZDJVDVJGPVOM-UHFFFAOYSA-N -1 1 302.298 0.327 20 0 DCADMM COC(=O)c1cc(CNc2n[nH]cc2-c2nn[n-]n2)cn1C ZINC001609302400 1170923809 /nfs/dbraw/zinc/92/38/09/1170923809.db2.gz KUZDJVDVJGPVOM-UHFFFAOYSA-N -1 1 302.298 0.327 20 0 DCADMM COC(=O)c1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)o1 ZINC001609302807 1170924906 /nfs/dbraw/zinc/92/49/06/1170924906.db2.gz JIXZTIGZZDPSTO-UHFFFAOYSA-N -1 1 317.265 0.232 20 0 DCADMM COC(=O)c1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)o1 ZINC001609302807 1170924912 /nfs/dbraw/zinc/92/49/12/1170924912.db2.gz JIXZTIGZZDPSTO-UHFFFAOYSA-N -1 1 317.265 0.232 20 0 DCADMM COC(=O)c1cc(CNc2n[nH]cc2-c2nnn[n-]2)n(C)c1C ZINC001609302553 1170925404 /nfs/dbraw/zinc/92/54/04/1170925404.db2.gz VHLBYQKQWOGQNV-UHFFFAOYSA-N -1 1 316.325 0.635 20 0 DCADMM COC(=O)c1cc(CNc2n[nH]cc2-c2nn[n-]n2)n(C)c1C ZINC001609302553 1170925410 /nfs/dbraw/zinc/92/54/10/1170925410.db2.gz VHLBYQKQWOGQNV-UHFFFAOYSA-N -1 1 316.325 0.635 20 0 DCADMM COCCOC[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609326721 1170940817 /nfs/dbraw/zinc/94/08/17/1170940817.db2.gz FLDZBTFUGHPUET-VIFPVBQESA-N -1 1 321.341 0.435 20 0 DCADMM COCCOC[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609326721 1170940819 /nfs/dbraw/zinc/94/08/19/1170940819.db2.gz FLDZBTFUGHPUET-VIFPVBQESA-N -1 1 321.341 0.435 20 0 DCADMM CSc1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001609373425 1170952021 /nfs/dbraw/zinc/95/20/21/1170952021.db2.gz ZNLUCIOIOSVDKF-UHFFFAOYSA-N -1 1 316.350 0.819 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](CCO)CC2)n1 ZINC001609391446 1170962832 /nfs/dbraw/zinc/96/28/32/1170962832.db2.gz JPCCVGQOPUAZGM-NSHDSACASA-N -1 1 303.370 0.954 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](CCO)CC2)n1 ZINC001609391446 1170962834 /nfs/dbraw/zinc/96/28/34/1170962834.db2.gz JPCCVGQOPUAZGM-NSHDSACASA-N -1 1 303.370 0.954 20 0 DCADMM Cc1ccc(CCNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)o1 ZINC001609423010 1170974706 /nfs/dbraw/zinc/97/47/06/1170974706.db2.gz NRUYGNAQCLJYNG-VIFPVBQESA-N -1 1 316.325 0.280 20 0 DCADMM Cc1ccccc1C[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001609435604 1170976270 /nfs/dbraw/zinc/97/62/70/1170976270.db2.gz BUIGLNWKJAGFBJ-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccccc1C[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001609435604 1170976273 /nfs/dbraw/zinc/97/62/73/1170976273.db2.gz BUIGLNWKJAGFBJ-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1cnn(CC(=O)Nc2snc(C)c2-c2nnn[n-]2)c1 ZINC001609441940 1170978181 /nfs/dbraw/zinc/97/81/81/1170978181.db2.gz WHKWIZXNTZCDQN-UHFFFAOYSA-N -1 1 304.339 0.775 20 0 DCADMM Cc1cnn(CC(=O)Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001609441940 1170978185 /nfs/dbraw/zinc/97/81/85/1170978185.db2.gz WHKWIZXNTZCDQN-UHFFFAOYSA-N -1 1 304.339 0.775 20 0 DCADMM Cc1csc(CCNC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001609442313 1170979675 /nfs/dbraw/zinc/97/96/75/1170979675.db2.gz CBGWJMUGLLRCSR-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1csc(CCNC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001609442313 1170979687 /nfs/dbraw/zinc/97/96/87/1170979687.db2.gz CBGWJMUGLLRCSR-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cnn(C)c1 ZINC001609467971 1170989448 /nfs/dbraw/zinc/98/94/48/1170989448.db2.gz XMZHCQIZKYQWOK-UHFFFAOYSA-N -1 1 301.310 0.474 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cnn(C)c1 ZINC001609467971 1170989453 /nfs/dbraw/zinc/98/94/53/1170989453.db2.gz XMZHCQIZKYQWOK-UHFFFAOYSA-N -1 1 301.310 0.474 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1nc(C2CC2)no1 ZINC001609467825 1170989963 /nfs/dbraw/zinc/98/99/63/1170989963.db2.gz URRFIYVANWSOBZ-UHFFFAOYSA-N -1 1 315.293 0.959 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1nc(C2CC2)no1 ZINC001609467825 1170989981 /nfs/dbraw/zinc/98/99/81/1170989981.db2.gz URRFIYVANWSOBZ-UHFFFAOYSA-N -1 1 315.293 0.959 20 0 DCADMM Cc1nsc(NCCc2nnc3n2CCC3)c1-c1nn[n-]n1 ZINC001609466539 1170990676 /nfs/dbraw/zinc/99/06/76/1170990676.db2.gz WRUJGRDFATYRCH-UHFFFAOYSA-N -1 1 317.382 0.824 20 0 DCADMM Clc1sc(NCCN2CCOCC2)nc1-c1nn[n-]n1 ZINC001609475111 1170991005 /nfs/dbraw/zinc/99/10/05/1170991005.db2.gz LTEIMUGYWHAVQX-UHFFFAOYSA-N -1 1 315.790 0.721 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2c3ccccc3nn2C)n1 ZINC001609477581 1170991921 /nfs/dbraw/zinc/99/19/21/1170991921.db2.gz LZJATIXKWAZGCJ-UHFFFAOYSA-N -1 1 323.320 0.739 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2c3ccccc3nn2C)n1 ZINC001609477581 1170991928 /nfs/dbraw/zinc/99/19/28/1170991928.db2.gz LZJATIXKWAZGCJ-UHFFFAOYSA-N -1 1 323.320 0.739 20 0 DCADMM Cn1cnnc1C1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001609481482 1170994359 /nfs/dbraw/zinc/99/43/59/1170994359.db2.gz XFMQPAMSRZVNFZ-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cnnc1C1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001609481482 1170994364 /nfs/dbraw/zinc/99/43/64/1170994364.db2.gz XFMQPAMSRZVNFZ-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM NC(=O)[C@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001609502728 1171000374 /nfs/dbraw/zinc/00/03/74/1171000374.db2.gz QIKTZVUWYKTIHN-YFKPBYRVSA-N -1 1 313.774 0.678 20 0 DCADMM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609502930 1171002964 /nfs/dbraw/zinc/00/29/64/1171002964.db2.gz ULDMNXLLRHHMOE-JGVFFNPUSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609502930 1171002969 /nfs/dbraw/zinc/00/29/69/1171002969.db2.gz ULDMNXLLRHHMOE-JGVFFNPUSA-N -1 1 304.310 0.234 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cnn(-c2ccccc2)c1 ZINC001609511099 1171005799 /nfs/dbraw/zinc/00/57/99/1171005799.db2.gz XMTHEBQGTPCFLR-UHFFFAOYSA-N -1 1 321.304 0.520 20 0 DCADMM O=C([C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1)N1CCCC1 ZINC001609516371 1171007980 /nfs/dbraw/zinc/00/79/80/1171007980.db2.gz CDGURYUPGFBUKG-LLVKDONJSA-N -1 1 313.365 0.710 20 0 DCADMM O=C([C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1)N1CCCC1 ZINC001609516371 1171007987 /nfs/dbraw/zinc/00/79/87/1171007987.db2.gz CDGURYUPGFBUKG-LLVKDONJSA-N -1 1 313.365 0.710 20 0 DCADMM O=C(NCCCn1cccn1)c1csc(-c2nn[n-]n2)c1 ZINC001609548402 1171019475 /nfs/dbraw/zinc/01/94/75/1171019475.db2.gz GIBANHXYDXYYLD-UHFFFAOYSA-N -1 1 303.351 0.945 20 0 DCADMM O=C(OCc1ncnn1CCF)c1sccc1-c1nn[n-]n1 ZINC001609578603 1171028352 /nfs/dbraw/zinc/02/83/52/1171028352.db2.gz RHNYQKDDXJFREV-UHFFFAOYSA-N -1 1 323.313 0.846 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1C[C@H](O)CC(F)(F)C1 ZINC001609583794 1171030522 /nfs/dbraw/zinc/03/05/22/1171030522.db2.gz LQWGSUCSCIIBPO-MRVPVSSYSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1C[C@H](O)CC(F)(F)C1 ZINC001609583794 1171030530 /nfs/dbraw/zinc/03/05/30/1171030530.db2.gz LQWGSUCSCIIBPO-MRVPVSSYSA-N -1 1 310.264 0.104 20 0 DCADMM O=C1[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]2CCCCN12 ZINC001609586915 1171031365 /nfs/dbraw/zinc/03/13/65/1171031365.db2.gz XDDDHSRXHZBXAI-DTWKUNHWSA-N -1 1 300.326 0.222 20 0 DCADMM O=C1[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]2CCCCN12 ZINC001609586915 1171031371 /nfs/dbraw/zinc/03/13/71/1171031371.db2.gz XDDDHSRXHZBXAI-DTWKUNHWSA-N -1 1 300.326 0.222 20 0 DCADMM O=C1[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]2CCCCN12 ZINC001609586917 1171032614 /nfs/dbraw/zinc/03/26/14/1171032614.db2.gz XDDDHSRXHZBXAI-RKDXNWHRSA-N -1 1 300.326 0.222 20 0 DCADMM O=C1[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]2CCCCN12 ZINC001609586917 1171032621 /nfs/dbraw/zinc/03/26/21/1171032621.db2.gz XDDDHSRXHZBXAI-RKDXNWHRSA-N -1 1 300.326 0.222 20 0 DCADMM OC[C@@H]([C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)C1CC1 ZINC001609608424 1171041687 /nfs/dbraw/zinc/04/16/87/1171041687.db2.gz JTZZWGSGFNOUCI-ZWNOBZJWSA-N -1 1 301.354 0.866 20 0 DCADMM OC[C@@H]([C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)C1CC1 ZINC001609608424 1171041692 /nfs/dbraw/zinc/04/16/92/1171041692.db2.gz JTZZWGSGFNOUCI-ZWNOBZJWSA-N -1 1 301.354 0.866 20 0 DCADMM c1ncc(N2CCC(O[C@@H]3CCOC3)CC2)nc1-c1nnn[n-]1 ZINC001609621252 1171052697 /nfs/dbraw/zinc/05/26/97/1171052697.db2.gz XPOCHYKFLRQPFD-LLVKDONJSA-N -1 1 317.353 0.431 20 0 DCADMM c1ncc(N2CCC(O[C@@H]3CCOC3)CC2)nc1-c1nn[n-]n1 ZINC001609621252 1171052705 /nfs/dbraw/zinc/05/27/05/1171052705.db2.gz XPOCHYKFLRQPFD-LLVKDONJSA-N -1 1 317.353 0.431 20 0 DCADMM CC(C)C[C@@H](NC(=O)CN1CCCC[C@@H]1C1(O)CC1)C(=O)[O-] ZINC001609694139 1171068527 /nfs/dbraw/zinc/06/85/27/1171068527.db2.gz OXFLYRLSUNTMEM-CHWSQXEVSA-N -1 1 312.410 0.981 20 0 DCADMM C[C@@H](O)C[C@@H]1CCCN1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001609788959 1171086885 /nfs/dbraw/zinc/08/68/85/1171086885.db2.gz VHASRQHKIDNURO-MNOVXSKESA-N -1 1 307.350 0.954 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])[nH]2)CCN1CC(C)(C)O ZINC001609864676 1171108568 /nfs/dbraw/zinc/10/85/68/1171108568.db2.gz DNSGSUDCWPVSOP-SNVBAGLBSA-N -1 1 309.366 0.630 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cncnc1C1CC1 ZINC001609869462 1171110041 /nfs/dbraw/zinc/11/00/41/1171110041.db2.gz DVGNQNANVQJQSE-LLVKDONJSA-N -1 1 318.377 0.975 20 0 DCADMM CCC(=CC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])CC ZINC001609881449 1171114480 /nfs/dbraw/zinc/11/44/80/1171114480.db2.gz SZNGURHFDFLIKX-UHFFFAOYSA-N -1 1 311.426 0.893 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1cnn(C)c1C)C(=O)[O-] ZINC001609898730 1171118495 /nfs/dbraw/zinc/11/84/95/1171118495.db2.gz HYNGFKSXPGABHT-PKFCDNJMSA-N -1 1 310.398 0.995 20 0 DCADMM CC[C@@H]1CN(C)CCN1Cn1nc(C(=O)[O-])cc1C(=O)OC ZINC001609950100 1171125953 /nfs/dbraw/zinc/12/59/53/1171125953.db2.gz XMHCRQFBCXMGIJ-SNVBAGLBSA-N -1 1 310.354 0.351 20 0 DCADMM CN(C)CC(=O)N1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC001610098283 1171155707 /nfs/dbraw/zinc/15/57/07/1171155707.db2.gz CVMGYRLDUIEAMT-UHFFFAOYSA-N -1 1 311.407 0.652 20 0 DCADMM CN1C(=O)CN(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1=O ZINC001610127245 1171164501 /nfs/dbraw/zinc/16/45/01/1171164501.db2.gz AZBMPQOGURWWLL-CHWSQXEVSA-N -1 1 317.345 0.638 20 0 DCADMM CNC(=O)[C@]1(C)CCN(CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001610143863 1171174609 /nfs/dbraw/zinc/17/46/09/1171174609.db2.gz YCZKFJUESCXKPW-MRXNPFEDSA-N -1 1 319.361 0.781 20 0 DCADMM CNS(=O)(=O)[C@@H]1CCCN(Cc2ccccc2C(=O)[O-])C1 ZINC001610146390 1171175481 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Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001610607314 1171265870 /nfs/dbraw/zinc/26/58/70/1171265870.db2.gz TYNHKLZIIBSOMB-MFKMUULPSA-N -1 1 317.349 0.375 20 0 DCADMM NC(=O)C[C@H]1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC001610637515 1171275328 /nfs/dbraw/zinc/27/53/28/1171275328.db2.gz RIXSRDUTODSEPO-LLVKDONJSA-N -1 1 311.382 0.087 20 0 DCADMM O=C(CN1CCSC[C@@H](C(=O)[O-])C1)NC[C@H]1CCCO1 ZINC001610663586 1171285741 /nfs/dbraw/zinc/28/57/41/1171285741.db2.gz BGVXBHPMQKPPLI-WDEREUQCSA-N -1 1 302.396 0.031 20 0 DCADMM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CC1 ZINC001610804560 1171331136 /nfs/dbraw/zinc/33/11/36/1171331136.db2.gz YIJWSWMDJOTHGA-GMTAPVOTSA-N -1 1 307.354 0.797 20 0 DCADMM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)CC1 ZINC001610804560 1171331146 /nfs/dbraw/zinc/33/11/46/1171331146.db2.gz YIJWSWMDJOTHGA-GMTAPVOTSA-N -1 1 307.354 0.797 20 0 DCADMM O=C(Nc1nn[nH]n1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001618459517 1171396833 /nfs/dbraw/zinc/39/68/33/1171396833.db2.gz HFODPRXMWDCTJO-UHFFFAOYSA-N -1 1 307.220 0.622 20 0 DCADMM COCCOC[C@H](C)NC(=O)c1cnc(SC)[n-]c1=O ZINC001618586189 1171398360 /nfs/dbraw/zinc/39/83/60/1171398360.db2.gz VABLHXVZJYDHKZ-QMMMGPOBSA-N -1 1 301.368 0.685 20 0 DCADMM CCC(CC)(NC(=O)c1cn2cccnc2n1)c1nn[n-]n1 ZINC001623441854 1171438752 /nfs/dbraw/zinc/43/87/52/1171438752.db2.gz UXDOQCZOUJWWEH-UHFFFAOYSA-N -1 1 300.326 0.688 20 0 DCADMM CSc1ncc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c(=O)[n-]1 ZINC001629167370 1171544082 /nfs/dbraw/zinc/54/40/82/1171544082.db2.gz SAWHLQXKGGQOSJ-MRVPVSSYSA-N -1 1 324.362 0.170 20 0 DCADMM CN(c1nnc(-c2nnn[n-]2)n1C[C@H]1CCOC1)C1CCC1 ZINC001649241564 1171604473 /nfs/dbraw/zinc/60/44/73/1171604473.db2.gz OLYAREPILJBGAW-SECBINFHSA-N -1 1 304.358 0.483 20 0 DCADMM CN(c1nnc(-c2nn[n-]n2)n1C[C@H]1CCOC1)C1CCC1 ZINC001649241564 1171604477 /nfs/dbraw/zinc/60/44/77/1171604477.db2.gz OLYAREPILJBGAW-SECBINFHSA-N -1 1 304.358 0.483 20 0 DCADMM COc1cccc2c1n[nH]c2C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001633586812 1171648138 /nfs/dbraw/zinc/64/81/38/1171648138.db2.gz SBGFOKFCQQKHMW-UHFFFAOYSA-N -1 1 313.321 0.894 20 0 DCADMM Cc1ccoc1C(=O)NCCCNC(=O)CCCc1nn[n-]n1 ZINC001634292391 1171669329 /nfs/dbraw/zinc/66/93/29/1171669329.db2.gz GBPHIVFEHFHNEZ-UHFFFAOYSA-N -1 1 320.353 0.360 20 0 DCADMM COc1cnc(C2(NC(=O)[C@H]3CCNC3=O)CCCC2)[n-]c1=O ZINC001636117156 1171726769 /nfs/dbraw/zinc/72/67/69/1171726769.db2.gz SDVRTCAVOYSVJD-VIFPVBQESA-N -1 1 320.349 0.212 20 0 DCADMM O=C(Nc1n[nH]c2cc(O)ccc21)c1c[n-]n2c1nccc2=O ZINC001636182835 1171728885 /nfs/dbraw/zinc/72/88/85/1171728885.db2.gz VZAIHZXRFKLZKI-UHFFFAOYSA-N -1 1 310.273 0.857 20 0 DCADMM O=C(NCCNC(=O)c1cnccn1)c1ccc(F)c([O-])c1 ZINC001636241077 1171730232 /nfs/dbraw/zinc/73/02/32/1171730232.db2.gz PGXXDXJGCZLLAV-UHFFFAOYSA-N -1 1 304.281 0.481 20 0 DCADMM COC(=O)[C@H](CC(F)F)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001636466563 1171738391 /nfs/dbraw/zinc/73/83/91/1171738391.db2.gz BFLMTUXIJARYTE-YFKPBYRVSA-N -1 1 321.305 0.706 20 0 DCADMM Cc1nc([C@@H](NC(=O)c2ccc([O-])cn2)c2cnn(C)c2)no1 ZINC001636631093 1171745119 /nfs/dbraw/zinc/74/51/19/1171745119.db2.gz IBTHYSUGFJPLCB-LBPRGKRZSA-N -1 1 314.305 0.732 20 0 DCADMM O=C(CCc1nn[n-]n1)NCCc1nc(-c2ccccc2)c[nH]1 ZINC001637860588 1171781079 /nfs/dbraw/zinc/78/10/79/1171781079.db2.gz VQBYPPBLSQCSQW-UHFFFAOYSA-N -1 1 311.349 0.881 20 0 DCADMM O=C(NC[C@H](O)c1cnc[nH]1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001638147361 1171788378 /nfs/dbraw/zinc/78/83/78/1171788378.db2.gz CYPNJZHDJSREQB-NSHDSACASA-N -1 1 315.289 0.216 20 0 DCADMM COC[C@@H](NC(=O)c1ccc2cc(C)cn2c1)c1nn[n-]n1 ZINC001638140455 1171789029 /nfs/dbraw/zinc/78/90/29/1171789029.db2.gz ZJSVXTIKYKAGMN-GFCCVEGCSA-N -1 1 300.322 0.878 20 0 DCADMM COC[C@@H](NC(=O)C=Cc1ccc(C(=O)OC)o1)c1nn[n-]n1 ZINC001638143495 1171789076 /nfs/dbraw/zinc/78/90/76/1171789076.db2.gz HZJPZMJMKFWHAU-OTQAPUNGSA-N -1 1 321.293 0.096 20 0 DCADMM O=C(C=Cc1cncc(O)c1)N1CCC[C@@H](Cc2nn[n-]n2)C1 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O=C(/C=C\Cn1cncn1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001640551650 1171882370 /nfs/dbraw/zinc/88/23/70/1171882370.db2.gz XIQYENOHZCSIOT-UPHRSURJSA-N -1 1 304.310 0.329 20 0 DCADMM O=C(CCCc1nn[n-]n1)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC001640602527 1171887339 /nfs/dbraw/zinc/88/73/39/1171887339.db2.gz NTFMBTQLBCDWHB-CQSZACIVSA-N -1 1 316.321 0.386 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc2nnnn2c1 ZINC001641597809 1171922312 /nfs/dbraw/zinc/92/23/12/1171922312.db2.gz YBWBETHICISSBT-GFCCVEGCSA-N -1 1 321.304 0.157 20 0 DCADMM CS(=O)(=O)c1nc(C(=O)Nc2c[n-][nH]c2=O)c2ccccn21 ZINC001641597915 1171922597 /nfs/dbraw/zinc/92/25/97/1171922597.db2.gz BTBDKRWPDSUVAD-UHFFFAOYSA-N -1 1 321.318 0.419 20 0 DCADMM CN(C(=O)c1cc(Br)c(F)cc1N)c1nn[n-]n1 ZINC001642431528 1171945500 /nfs/dbraw/zinc/94/55/00/1171945500.db2.gz ZNMXYVVHUCXQPY-UHFFFAOYSA-N -1 1 315.106 0.960 20 0 DCADMM O=C(N[C@H](CO)[C@@H](O)c1cccnc1)C(=O)c1ccc([O-])cc1 ZINC001643477411 1171978753 /nfs/dbraw/zinc/97/87/53/1171978753.db2.gz 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COC[C@H]1CCCCN(c2nnc(Cc3nnn[n-]3)n2C)C1 ZINC001650270533 1173540857 /nfs/dbraw/zinc/54/08/57/1173540857.db2.gz MRHUFLLUNABYSH-JTQLQIEISA-N -1 1 306.374 0.172 20 0 DCADMM COC[C@H]1CCCCN(c2nnc(Cc3nn[n-]n3)n2C)C1 ZINC001650270533 1173540860 /nfs/dbraw/zinc/54/08/60/1173540860.db2.gz MRHUFLLUNABYSH-JTQLQIEISA-N -1 1 306.374 0.172 20 0 DCADMM CCN(c1nnc(-c2nnn[n-]2)n1C[C@H]1CCCO1)C(C)C ZINC001650455581 1173646046 /nfs/dbraw/zinc/64/60/46/1173646046.db2.gz HUFWXJPYLXDDSG-SNVBAGLBSA-N -1 1 306.374 0.872 20 0 DCADMM CCN(c1nnc(-c2nn[n-]n2)n1C[C@H]1CCCO1)C(C)C ZINC001650455581 1173646052 /nfs/dbraw/zinc/64/60/52/1173646052.db2.gz HUFWXJPYLXDDSG-SNVBAGLBSA-N -1 1 306.374 0.872 20 0 DCADMM CC[C@@H]1CCN(c2nnc(-c3nnn[n-]3)n2C[C@H]2CCOC2)C1 ZINC001650484545 1173656212 /nfs/dbraw/zinc/65/62/12/1173656212.db2.gz ANNTWSRWEIUOBY-GHMZBOCLSA-N -1 1 318.385 0.731 20 0 DCADMM CC[C@@H]1CCN(c2nnc(-c3nn[n-]n3)n2C[C@H]2CCOC2)C1 ZINC001650484545 1173656217 /nfs/dbraw/zinc/65/62/17/1173656217.db2.gz ANNTWSRWEIUOBY-GHMZBOCLSA-N -1 1 318.385 0.731 20 0 DCADMM CCCC1N=NC(=S)N1CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001651169124 1173741083 /nfs/dbraw/zinc/74/10/83/1173741083.db2.gz IFYRWSIXFVSOLE-UHFFFAOYSA-N -1 1 324.366 0.037 20 0 DCADMM C=CC(=O)NCCC(=O)NC(C)(C)c1ncc(OC)c(=O)[n-]1 ZINC001652477158 1173770219 /nfs/dbraw/zinc/77/02/19/1173770219.db2.gz SQBRGVXTTGYURU-UHFFFAOYSA-N -1 1 308.338 0.234 20 0 DCADMM CCC[C@@](C)(NC(=O)NC[C@H]1CN(C)CCN1C)C(=O)[O-] ZINC000068809525 1173795002 /nfs/dbraw/zinc/79/50/02/1173795002.db2.gz PDWVLFKJNLVWJX-SMDDNHRTSA-N -1 1 300.403 0.175 20 0 DCADMM CCn1nncc1CN(C)CCCNC(=O)c1ncccc1[O-] ZINC001660113120 1173945608 /nfs/dbraw/zinc/94/56/08/1173945608.db2.gz NAZHKIZVYXEZQE-UHFFFAOYSA-N -1 1 318.381 0.651 20 0 DCADMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(F)nc2F)[nH]1 ZINC001662143971 1174181928 /nfs/dbraw/zinc/18/19/28/1174181928.db2.gz ANPALMKNSQCELP-UHFFFAOYSA-N -1 1 303.294 0.519 20 0 DCADMM CCc1nc(C[N-]S(=O)(=O)c2ccc(F)nc2F)n[nH]1 ZINC001662143971 1174181934 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CS(=O)(=O)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)nn1 ZINC001674544118 1175282936 /nfs/dbraw/zinc/28/29/36/1175282936.db2.gz LKGVPAGZVOOBQZ-SNVBAGLBSA-N -1 1 316.339 0.460 20 0 DCADMM CCOCCC(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001679928937 1175765205 /nfs/dbraw/zinc/76/52/05/1175765205.db2.gz XXEYQUKSMRSZHP-NSHDSACASA-N -1 1 309.366 0.791 20 0 DCADMM C[C@H](C(=O)NCCNC(=O)c1ncccc1[O-])C(C)(F)F ZINC001686553645 1176150998 /nfs/dbraw/zinc/15/09/98/1176150998.db2.gz UXYZWYRAAWHJBT-MRVPVSSYSA-N -1 1 301.293 0.925 20 0 DCADMM CCOCCC(=O)NC[C@H](CC)NC(=O)c1ncccc1[O-] ZINC001688727431 1176600623 /nfs/dbraw/zinc/60/06/23/1176600623.db2.gz RJCUVBYXQNYRCW-NSHDSACASA-N -1 1 309.366 0.838 20 0 DCADMM CCOCCC(=O)NC/C=C\CNC(=O)c1ncccc1[O-] ZINC001689263751 1176774888 /nfs/dbraw/zinc/77/48/88/1176774888.db2.gz NUXLJNPRFZYBKK-ARJAWSKDSA-N -1 1 307.350 0.616 20 0 DCADMM CCCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCOCC ZINC000125734886 1177196411 /nfs/dbraw/zinc/19/64/11/1177196411.db2.gz SCIDODKEUXRWTC-GFCCVEGCSA-N -1 1 306.428 0.733 20 0 DCADMM Cn1[n-]c(CN2CC(CNC(=O)C[C@H]3C=CCCC3)C2)nc1=O ZINC001692315468 1177483373 /nfs/dbraw/zinc/48/33/73/1177483373.db2.gz UIXIAMFDNWVZBD-LBPRGKRZSA-N -1 1 319.409 0.403 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@H](C)C(F)(F)F ZINC001699196152 1177932470 /nfs/dbraw/zinc/93/24/70/1177932470.db2.gz IMWWVNMSXIPHNG-ZETCQYMHSA-N -1 1 309.292 0.647 20 0 DCADMM CCCOCC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001702499051 1179220164 /nfs/dbraw/zinc/22/01/64/1179220164.db2.gz CBIWMMBJBBVCQZ-TXEJJXNPSA-N -1 1 321.377 0.838 20 0 DCADMM COCCCC(=O)NCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001703113580 1179303879 /nfs/dbraw/zinc/30/38/79/1179303879.db2.gz GDRYZEORTSBMEB-UHFFFAOYSA-N -1 1 322.365 0.332 20 0 DCADMM CC1(C)C[C@H]1C(=O)NCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001703151772 1179344429 /nfs/dbraw/zinc/34/44/29/1179344429.db2.gz BREYSARRGGZHKW-NSHDSACASA-N -1 1 318.377 0.952 20 0 DCADMM CCOCCC(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001703450578 1179547016 /nfs/dbraw/zinc/54/70/16/1179547016.db2.gz KTEFJHUOCTUPKN-LBPRGKRZSA-N -1 1 321.377 0.887 20 0 DCADMM O=C(NC/C=C\CNC(=O)c1ncccc1[O-])c1cnccn1 ZINC001704963972 1180192565 /nfs/dbraw/zinc/19/25/65/1180192565.db2.gz XKZCVVKFFKWDHZ-UPHRSURJSA-N -1 1 313.317 0.293 20 0 DCADMM COc1cc(C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)ccc1C ZINC001713612970 1180967422 /nfs/dbraw/zinc/96/74/22/1180967422.db2.gz WMWLXHSEBCIHPB-UHFFFAOYSA-N -1 1 319.365 0.689 20 0 DCADMM CC(C)N(CCCNC(=O)c1ncccn1)Cc1n[nH]c(=O)[n-]1 ZINC001713693536 1181020541 /nfs/dbraw/zinc/02/05/41/1181020541.db2.gz AFRAHGXSMVHKNS-UHFFFAOYSA-N -1 1 319.369 0.331 20 0 DCADMM C[C@H](CNC(=O)c1c[nH]c2ccccc12)NCc1n[nH]c(=O)[n-]1 ZINC001714251988 1181295270 /nfs/dbraw/zinc/29/52/70/1181295270.db2.gz MUEUFKZRXAVQDV-SECBINFHSA-N -1 1 314.349 0.900 20 0 DCADMM O=C([C@@H]1CCCC12CC2)N(CCO)CCNCc1n[nH]c(=O)[n-]1 ZINC001717053775 1182652568 /nfs/dbraw/zinc/65/25/68/1182652568.db2.gz MIJHKZQFOLNCLC-NSHDSACASA-N -1 1 323.397 0.001 20 0 DCADMM C[C@H](CCCNC(=O)c1ncccc1[O-])NC(=O)c1ncc[nH]1 ZINC001718397885 1183212608 /nfs/dbraw/zinc/21/26/08/1183212608.db2.gz LTIMLDSVFJICBM-SNVBAGLBSA-N -1 1 317.349 0.839 20 0 DCADMM CCCOCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001718651141 1183307771 /nfs/dbraw/zinc/30/77/71/1183307771.db2.gz HFFSSHXGPKFOSW-NEPJUHHUSA-N -1 1 321.377 0.933 20 0 DCADMM Cc1cc(C(=O)NCCCN(C)C(=O)c2ncccc2[O-])no1 ZINC001720441252 1183601913 /nfs/dbraw/zinc/60/19/13/1183601913.db2.gz LIQDKHZEMYGZFJ-UHFFFAOYSA-N -1 1 318.333 0.976 20 0 DCADMM CS[C@H](C)C(=O)NC/C=C/CNC(=O)c1ncccc1[O-] ZINC001721801946 1184048118 /nfs/dbraw/zinc/04/81/18/1184048118.db2.gz VUZOVBOAZLNCPE-HMDXOVGESA-N -1 1 309.391 0.941 20 0 DCADMM CC/C=C(/C)C(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001725637432 1184923262 /nfs/dbraw/zinc/92/32/62/1184923262.db2.gz ISTWRYOXWSGWCW-CUOXCHRPSA-N -1 1 321.425 0.934 20 0 DCADMM CN(CCOCCNCc1n[nH]c(=O)[n-]1)C(=O)C=C1CCC1 ZINC001725800298 1184998652 /nfs/dbraw/zinc/99/86/52/1184998652.db2.gz YVEWPYRBYFPOMI-UHFFFAOYSA-N -1 1 309.370 0.185 20 0 DCADMM CC(C)c1cc(C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)nn1C ZINC001731910997 1185567971 /nfs/dbraw/zinc/56/79/71/1185567971.db2.gz GLEWAHKTXNUGDE-UHFFFAOYSA-N -1 1 321.385 0.229 20 0 DCADMM COc1nc(C)ccc1C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1 ZINC001731963339 1185609893 /nfs/dbraw/zinc/60/98/93/1185609893.db2.gz ZKDXCMKNTIYLPW-UHFFFAOYSA-N -1 1 320.353 0.084 20 0 DCADMM C/C=C(\C)C(=O)N(CCC)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001732035390 1185640654 /nfs/dbraw/zinc/64/06/54/1185640654.db2.gz IXQRAEPYSNCALU-XEVNVYFWSA-N -1 1 321.425 0.888 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1sc(C)nc1C ZINC001732809545 1185979040 /nfs/dbraw/zinc/97/90/40/1185979040.db2.gz ODXOFRDLWISLCL-UHFFFAOYSA-N -1 1 324.410 0.836 20 0 DCADMM O=C(NCCNC(=O)[C@@H]1CC12CC2)c1cnc(C2CC2)[n-]c1=O ZINC001736756579 1187089195 /nfs/dbraw/zinc/08/91/95/1187089195.db2.gz PXSCBRPXEUDCIY-NSHDSACASA-N -1 1 316.361 0.706 20 0 DCADMM CN(CCCNC(=O)[C@H]1CCCO1)C(=O)c1ncccc1[O-] ZINC001737094596 1187238534 /nfs/dbraw/zinc/23/85/34/1187238534.db2.gz VSQDJPICAHCMOH-GFCCVEGCSA-N -1 1 307.350 0.545 20 0 DCADMM CCOCCC(=O)N[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001739679175 1187827137 /nfs/dbraw/zinc/82/71/37/1187827137.db2.gz AYNCXWHCPKJIQQ-INIZCTEOSA-N -1 1 321.377 0.935 20 0 DCADMM C[C@H](CC(=O)NCCNC(=O)c1ncccc1[O-])n1cccn1 ZINC001742355374 1187963560 /nfs/dbraw/zinc/96/35/60/1187963560.db2.gz HBZUMZXGQCONGD-LLVKDONJSA-N -1 1 317.349 0.481 20 0 DCADMM CO[C@@H](C(=O)NCCCNC(=O)c1ncccc1[O-])C1CCC1 ZINC001742832662 1188061374 /nfs/dbraw/zinc/06/13/74/1188061374.db2.gz BWUQFSLFZQTAQZ-CQSZACIVSA-N -1 1 321.377 0.838 20 0 DCADMM O=C(CCc1ccon1)NCCCNC(=O)c1ncccc1[O-] ZINC001742833845 1188062188 /nfs/dbraw/zinc/06/21/88/1188062188.db2.gz PWRGSZPXXKTGJO-UHFFFAOYSA-N -1 1 318.333 0.644 20 0 DCADMM Cc1ncc(C(=O)N(C)CCCNC(=O)c2[nH]nc(C)c2[O-])[nH]1 ZINC001743429391 1188130457 /nfs/dbraw/zinc/13/04/57/1188130457.db2.gz UYJRLRQZGQEOBM-UHFFFAOYSA-N -1 1 320.353 0.347 20 0 DCADMM CCOCC(=O)NCCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001743976197 1188175050 /nfs/dbraw/zinc/17/50/50/1188175050.db2.gz RNGZCVKIHBNGPU-UHFFFAOYSA-N -1 1 321.377 0.935 20 0 DCADMM C[C@H](CNC(=O)c1[nH]nc2ccccc21)NCc1n[nH]c(=O)[n-]1 ZINC001752916212 1188461126 /nfs/dbraw/zinc/46/11/26/1188461126.db2.gz LDJODMMWLKWKHU-MRVPVSSYSA-N -1 1 315.337 0.295 20 0 DCADMM CCc1[nH]ccc1C(=O)N(CC)CCNCc1n[nH]c(=O)[n-]1 ZINC001754043228 1188719951 /nfs/dbraw/zinc/71/99/51/1188719951.db2.gz HRPDZYQHKCRLFV-UHFFFAOYSA-N -1 1 306.370 0.653 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cc2ccccn2c1 ZINC001754243589 1188797819 /nfs/dbraw/zinc/79/78/19/1188797819.db2.gz RRLZIARNZXBHKJ-SNVBAGLBSA-N -1 1 314.349 0.671 20 0 DCADMM CC(C)(C)/C=C/C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001754998381 1188989870 /nfs/dbraw/zinc/98/98/70/1188989870.db2.gz NKRCCCAVPIUDKO-SGUJLRQBSA-N -1 1 323.397 0.430 20 0 DCADMM CN(C(=O)C(=O)C(C)(C)C)C1CC(NCc2n[nH]c(=O)[n-]2)C1 ZINC001755853672 1189236200 /nfs/dbraw/zinc/23/62/00/1189236200.db2.gz HOBFSRFNINTPFX-UHFFFAOYSA-N -1 1 309.370 0.205 20 0 DCADMM CCOCC(=O)NCCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001756295938 1189327326 /nfs/dbraw/zinc/32/73/26/1189327326.db2.gz IHXNQAPIDWAJCK-LLVKDONJSA-N -1 1 309.366 0.838 20 0 DCADMM O=C(NCCNC(=O)c1ncccc1[O-])c1cnoc1C1CC1 ZINC001757966727 1189644965 /nfs/dbraw/zinc/64/49/65/1189644965.db2.gz DMEZZXDGXJMPIJ-UHFFFAOYSA-N -1 1 316.317 0.812 20 0 DCADMM CS(=O)(=O)N1CCC[C@@H](NCc2ccc(C(=O)[O-])o2)C1 ZINC000400268595 1189986622 /nfs/dbraw/zinc/98/66/22/1189986622.db2.gz WYWUWPBNHDRUNU-SECBINFHSA-N -1 1 302.352 0.491 20 0 DCADMM CCOCCC(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001759542246 1190205450 /nfs/dbraw/zinc/20/54/50/1190205450.db2.gz AJVPOUPPAHBOKN-UHFFFAOYSA-N -1 1 309.366 0.744 20 0 DCADMM O=C(NC/C=C/CNC(=O)[C@]1(F)CCOC1)c1ncccc1[O-] ZINC001759685244 1190266743 /nfs/dbraw/zinc/26/67/43/1190266743.db2.gz WQOZECQZNVYODV-YLSAJCSVSA-N -1 1 323.324 0.318 20 0 DCADMM Cn1[n-]c(COC(=O)[C@@H]2CCO[C@H]2c2ccncc2)nc1=O ZINC001771757021 1190490287 /nfs/dbraw/zinc/49/02/87/1190490287.db2.gz BCYOUPGCJDKNLD-PWSUYJOCSA-N -1 1 304.306 0.324 20 0 DCADMM COc1cc(OC)c(CN[C@@H](Cn2cncn2)C(=O)[O-])cc1F ZINC001771912403 1190551939 /nfs/dbraw/zinc/55/19/39/1190551939.db2.gz RHHWRFUZSHNVTN-NSHDSACASA-N -1 1 324.312 0.677 20 0 DCADMM CCOc1ccc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cn1 ZINC001771915108 1190553718 /nfs/dbraw/zinc/55/37/18/1190553718.db2.gz NMJORGVBBCWFLG-UHFFFAOYSA-N -1 1 318.337 0.117 20 0 DCADMM C[C@@H]1CN(C(=O)CN(C)[C@H]2CCSC2)C[C@H](C(=O)[O-])O1 ZINC001771919417 1190556316 /nfs/dbraw/zinc/55/63/16/1190556316.db2.gz OQZYBIOXZUBSSY-OUAUKWLOSA-N -1 1 302.396 0.124 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C2(n3cccn3)CC2)CC1 ZINC001772041467 1190597718 /nfs/dbraw/zinc/59/77/18/1190597718.db2.gz SSEOBGGTDBIGMI-LBPRGKRZSA-N -1 1 306.366 0.380 20 0 DCADMM CC(C)Cn1c(-c2nnn[n-]2)nnc1N1CCCO[C@H](C)C1 ZINC001772334586 1190664193 /nfs/dbraw/zinc/66/41/93/1190664193.db2.gz QSQCPLMORUJKIQ-SNVBAGLBSA-N -1 1 306.374 0.729 20 0 DCADMM CC(C)Cn1c(-c2nn[n-]n2)nnc1N1CCCO[C@H](C)C1 ZINC001772334586 1190664194 /nfs/dbraw/zinc/66/41/94/1190664194.db2.gz QSQCPLMORUJKIQ-SNVBAGLBSA-N -1 1 306.374 0.729 20 0 DCADMM CC1(C)CC[C@@H](CNC(=O)c2ncccc2[O-])[N@H+](CCO)C1 ZINC001089634077 751497614 /nfs/dbraw/zinc/49/76/14/751497614.db2.gz PDTJZRAEVAAKTB-LBPRGKRZSA-N -1 1 307.394 1.000 20 0 DCADMM CC1(C)CC[C@H](CNC(=O)c2ncccc2[O-])[N@H+](CCO)C1 ZINC001089634076 751497875 /nfs/dbraw/zinc/49/78/75/751497875.db2.gz PDTJZRAEVAAKTB-GFCCVEGCSA-N -1 1 307.394 1.000 20 0 DCADMM CN(C(=O)c1cccc(F)c1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001042425457 751635155 /nfs/dbraw/zinc/63/51/55/751635155.db2.gz ZCUIDEIJFVYGSQ-UHFFFAOYSA-N -1 1 319.340 0.204 20 0 DCADMM CN(C(=O)c1cc(Cl)c[nH]1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001042473328 751674955 /nfs/dbraw/zinc/67/49/55/751674955.db2.gz HMLBNYWYAJSRPE-UHFFFAOYSA-N -1 1 324.772 0.046 20 0 DCADMM CN(C(=O)c1ncccc1[O-])C1CN(CCc2ccnn2C)C1 ZINC001042646583 751805397 /nfs/dbraw/zinc/80/53/97/751805397.db2.gz SAFDTUIFTVQLJU-UHFFFAOYSA-N -1 1 315.377 0.520 20 0 DCADMM C[C@H]1C[C@@H]1CC(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1 ZINC001042716572 751860885 /nfs/dbraw/zinc/86/08/85/751860885.db2.gz SNEOLFIIOIBNNB-WDEREUQCSA-N -1 1 319.361 0.136 20 0 DCADMM CC/C(C)=C/C(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1 ZINC001042716404 751861422 /nfs/dbraw/zinc/86/14/22/751861422.db2.gz LWPYZGLEAVJMLY-YRNVUSSQSA-N -1 1 319.361 0.447 20 0 DCADMM CC(=O)Nc1ccccc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001167235486 747033060 /nfs/dbraw/zinc/03/30/60/747033060.db2.gz NBOXUXNVXPCTJH-UHFFFAOYSA-N -1 1 316.317 0.524 20 0 DCADMM CC(C)Cn1[n-]c(CC(=O)N(C)C2CN(CC3CC3)C2)cc1=O ZINC001043243928 752149930 /nfs/dbraw/zinc/14/99/30/752149930.db2.gz ZFBVRERCDAIOLU-UHFFFAOYSA-N -1 1 320.437 0.928 20 0 DCADMM CC[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2 ZINC001111592201 747590266 /nfs/dbraw/zinc/59/02/66/747590266.db2.gz NWPJTKVOPIWZCK-WQGACYEGSA-N -1 1 321.425 0.625 20 0 DCADMM 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O=C(c1ncoc1-c1ccon1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000612817929 416673464 /nfs/dbraw/zinc/67/34/64/416673464.db2.gz SOHFPSKVYWWFNX-MRVPVSSYSA-N -1 1 315.293 0.863 20 0 DCADMM CCON1CCC(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)CC1 ZINC000612817947 416673481 /nfs/dbraw/zinc/67/34/81/416673481.db2.gz SRPVXHZDFPLYBS-ZDUSSCGKSA-N -1 1 322.413 0.959 20 0 DCADMM CNc1nnc(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)s1 ZINC000614390373 416688978 /nfs/dbraw/zinc/68/89/78/416688978.db2.gz UNWUWYXPINJFIU-SSDOTTSWSA-N -1 1 324.366 0.617 20 0 DCADMM CC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)CC(=O)N1 ZINC000425310029 416692176 /nfs/dbraw/zinc/69/21/76/416692176.db2.gz XADAIAAOLQWRPW-GMTAPVOTSA-N -1 1 322.365 0.786 20 0 DCADMM C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000443032209 416726113 /nfs/dbraw/zinc/72/61/13/416726113.db2.gz IKERRVFDBPAKHF-XVKPBYJWSA-N -1 1 303.322 0.071 20 0 DCADMM CCCN(CC(=O)NC)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000631781373 416738193 /nfs/dbraw/zinc/73/81/93/416738193.db2.gz YNPMYEVGYWHWQI-UHFFFAOYSA-N -1 1 316.379 0.548 20 0 DCADMM Cc1ccc(CN2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000641217623 416738201 /nfs/dbraw/zinc/73/82/01/416738201.db2.gz PRZXIVLDJWVSIE-LBPRGKRZSA-N -1 1 301.350 0.823 20 0 DCADMM Cc1cnc(C(=O)NC2CCN(c3nnnn3C)CC2)c([O-])c1 ZINC000427070115 416798798 /nfs/dbraw/zinc/79/87/98/416798798.db2.gz REVWKHLOHBSOLH-UHFFFAOYSA-N -1 1 317.353 0.018 20 0 DCADMM O=C(c1ncccc1[O-])N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000427134596 416802448 /nfs/dbraw/zinc/80/24/48/416802448.db2.gz ZQRMWDDXPAMHJA-PWSUYJOCSA-N -1 1 310.375 0.969 20 0 DCADMM Cc1cc(S(=O)(=O)[N-]CCOC[C@@H]2CCOC2)sn1 ZINC000631934816 416814139 /nfs/dbraw/zinc/81/41/39/416814139.db2.gz LJRGNSMVMQRVML-SNVBAGLBSA-N -1 1 306.409 0.783 20 0 DCADMM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)COCC2CC2)sn1 ZINC000632005689 416861347 /nfs/dbraw/zinc/86/13/47/416861347.db2.gz AODNHQPYZINGTF-SNVBAGLBSA-N -1 1 306.409 0.517 20 0 DCADMM CCOC(=O)[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCOC1 ZINC000428032447 416867715 /nfs/dbraw/zinc/86/77/15/416867715.db2.gz KBKCIQKJZNAETN-CMPLNLGQSA-N -1 1 308.334 0.875 20 0 DCADMM CCOC(=O)[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCOC1 ZINC000428032452 416869482 /nfs/dbraw/zinc/86/94/82/416869482.db2.gz KBKCIQKJZNAETN-PWSUYJOCSA-N -1 1 308.334 0.875 20 0 DCADMM CC(C)(NC(=O)C[C@H]1COc2ccccc2O1)c1nn[n-]n1 ZINC000560169701 416835157 /nfs/dbraw/zinc/83/51/57/416835157.db2.gz FHVFIKYYCFBPMS-VIFPVBQESA-N -1 1 303.322 0.781 20 0 DCADMM COC[C@@](C)([N-]S(=O)(=O)c1cnn(C)c1C)C(F)(F)F ZINC000427776795 416846975 /nfs/dbraw/zinc/84/69/75/416846975.db2.gz JCOAOBRUEUXIPC-SECBINFHSA-N -1 1 315.317 0.974 20 0 DCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2=CCOCC2)c1 ZINC000427910107 416858688 /nfs/dbraw/zinc/85/86/88/416858688.db2.gz WTKACEBNTJCAMG-UHFFFAOYSA-N -1 1 312.347 0.586 20 0 DCADMM NC(=O)c1cccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)n1 ZINC000519708167 416930151 /nfs/dbraw/zinc/93/01/51/416930151.db2.gz FNIGMDKRBXVMII-UHFFFAOYSA-N -1 1 317.305 0.289 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CC1)c1ncsc1Br ZINC000565192789 416942704 /nfs/dbraw/zinc/94/27/04/416942704.db2.gz ZWOIPEZIBOQDDP-UHFFFAOYSA-N -1 1 315.156 0.838 20 0 DCADMM Cn1cnc(CC[N-]S(=O)(=O)c2cccc(F)c2F)n1 ZINC000447179876 416965577 /nfs/dbraw/zinc/96/55/77/416965577.db2.gz BHVGQFUBMVYUBB-UHFFFAOYSA-N -1 1 302.306 0.614 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CC1)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000430318919 417027905 /nfs/dbraw/zinc/02/79/05/417027905.db2.gz LFYXNWJXXOTEKC-LLVKDONJSA-N -1 1 318.381 0.486 20 0 DCADMM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632241784 416971925 /nfs/dbraw/zinc/97/19/25/416971925.db2.gz VZPISBUAMSLYHE-BQBZGAKWSA-N -1 1 313.301 0.866 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)N2CCC[C@@H]2CCO)c1 ZINC000632243509 416974801 /nfs/dbraw/zinc/97/48/01/416974801.db2.gz RJNCXLDJRKDCOP-SNVBAGLBSA-N -1 1 301.364 0.936 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)NC[C@H]2CC[C@@H](O)C2)c1 ZINC000632266553 416990772 /nfs/dbraw/zinc/99/07/72/416990772.db2.gz GQQBPZFMTVKGAG-VHSXEESVSA-N -1 1 301.364 0.840 20 0 DCADMM CC(C)n1nccc1NC(=O)[C@@H](C)S(=O)(=O)c1ncn[n-]1 ZINC000447386582 416996573 /nfs/dbraw/zinc/99/65/73/416996573.db2.gz RQUJLJRGTQTHOI-MRVPVSSYSA-N -1 1 312.355 0.383 20 0 DCADMM CC(C)n1nccc1NC(=O)[C@@H](C)S(=O)(=O)c1nc[n-]n1 ZINC000447386582 416996583 /nfs/dbraw/zinc/99/65/83/416996583.db2.gz RQUJLJRGTQTHOI-MRVPVSSYSA-N -1 1 312.355 0.383 20 0 DCADMM NC(=O)[C@@]1(NC(=O)c2ncc3ccccc3c2[O-])CCOC1 ZINC000616709406 417098691 /nfs/dbraw/zinc/09/86/91/417098691.db2.gz GAGQZKJNOQILMZ-OAHLLOKOSA-N -1 1 301.302 0.315 20 0 DCADMM CNC(=O)[C@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)CCO1 ZINC000632376672 417049887 /nfs/dbraw/zinc/04/98/87/417049887.db2.gz UOGCPJJOOSSHCN-GFCCVEGCSA-N -1 1 312.753 0.562 20 0 DCADMM CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(OC)ccc1[O-] ZINC000632424953 417080527 /nfs/dbraw/zinc/08/05/27/417080527.db2.gz BTAJUSAQEBGKSK-ZYHUDNBSSA-N -1 1 317.363 0.483 20 0 DCADMM CCOCCS(=O)(=O)[N-]Cc1nc([C@H]2CC[C@H](C)O2)no1 ZINC000624689406 417084520 /nfs/dbraw/zinc/08/45/20/417084520.db2.gz YPDUZGYLTIONFV-VHSXEESVSA-N -1 1 319.383 0.766 20 0 DCADMM CCCN1C[C@@H](C[N-]S(=O)(=O)c2cc(C)ns2)CC1=O ZINC000632473937 417113511 /nfs/dbraw/zinc/11/35/11/417113511.db2.gz QCGOWIGEQSSCEA-SNVBAGLBSA-N -1 1 317.436 0.988 20 0 DCADMM Cn1nnnc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000436194372 287360299 /nfs/dbraw/zinc/36/02/99/287360299.db2.gz AAPDKHBXCLFGAG-UHFFFAOYSA-N -1 1 308.367 0.880 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@H]1CCN(CC(F)(F)F)C1)c1nn[n-]n1 ZINC000527172647 417219453 /nfs/dbraw/zinc/21/94/53/417219453.db2.gz YHXYOZKERGTBNA-IUCAKERBSA-N -1 1 320.319 0.646 20 0 DCADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCOC1)N1CCCCC1 ZINC000408482922 417163597 /nfs/dbraw/zinc/16/35/97/417163597.db2.gz LJQQQVCYYJDFQD-STQMWFEESA-N -1 1 318.439 0.732 20 0 DCADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1C ZINC000438222469 287368366 /nfs/dbraw/zinc/36/83/66/287368366.db2.gz DEMMRHSXSSCLBZ-UHFFFAOYSA-N -1 1 311.367 0.519 20 0 DCADMM CCOC[C@@H](O)CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000433367554 417258757 /nfs/dbraw/zinc/25/87/57/417258757.db2.gz VRUVSIBDZDUSGE-NSHDSACASA-N -1 1 322.365 0.108 20 0 DCADMM CCCc1nc(=NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)s[n-]1 ZINC000527566721 417262615 /nfs/dbraw/zinc/26/26/15/417262615.db2.gz WCPAXUIKDZVXNK-UTLUCORTSA-N -1 1 308.411 0.997 20 0 DCADMM O=C(C[N-]S(=O)(=O)c1sccc1Cl)N1CCOCC1 ZINC000451365243 417338803 /nfs/dbraw/zinc/33/88/03/417338803.db2.gz GDORURPEMGPGBK-UHFFFAOYSA-N -1 1 324.811 0.539 20 0 DCADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1sccc1Cl)[C@H](C)O ZINC000451407658 417344437 /nfs/dbraw/zinc/34/44/37/417344437.db2.gz WAVFUUJPFKUTJO-FSPLSTOPSA-N -1 1 313.784 0.602 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](CO)C2)co1 ZINC000622221332 417417756 /nfs/dbraw/zinc/41/77/56/417417756.db2.gz JEBSZGAWKSNXID-KOLCDFICSA-N -1 1 316.379 0.278 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](CO)C2)co1 ZINC000622221333 417418627 /nfs/dbraw/zinc/41/86/27/417418627.db2.gz JEBSZGAWKSNXID-MWLCHTKSSA-N -1 1 316.379 0.278 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)c2cccn21)c1nn[n-]n1 ZINC000570637715 417374049 /nfs/dbraw/zinc/37/40/49/417374049.db2.gz LRIKDCQKLRFNOQ-GXSJLCMTSA-N -1 1 302.338 0.781 20 0 DCADMM C[C@H](NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)c1nnc[nH]1 ZINC000622404426 417441503 /nfs/dbraw/zinc/44/15/03/417441503.db2.gz SMZFFCOVTSEARI-ZETCQYMHSA-N -1 1 300.278 0.639 20 0 DCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nncn1C ZINC000622512804 417456182 /nfs/dbraw/zinc/45/61/82/417456182.db2.gz WZVLDLVIFQGEHG-UHFFFAOYSA-N -1 1 309.351 0.829 20 0 DCADMM NC(=O)c1cccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000622610107 417465520 /nfs/dbraw/zinc/46/55/20/417465520.db2.gz PLZIVOTWPRLRLU-ZDUSSCGKSA-N -1 1 322.328 0.818 20 0 DCADMM CC(C)S(=O)(=O)CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000622610312 417465723 /nfs/dbraw/zinc/46/57/23/417465723.db2.gz RXGQCFHVEWWQPA-GFCCVEGCSA-N -1 1 323.378 0.229 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cnn2cccnc12 ZINC000622611396 417467000 /nfs/dbraw/zinc/46/70/00/417467000.db2.gz DBRHRLRUHISFIP-LBPRGKRZSA-N -1 1 320.316 0.762 20 0 DCADMM CCC(C)(C)OC1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC000529808010 417510775 /nfs/dbraw/zinc/51/07/75/417510775.db2.gz NHLLLSQDRVXQSJ-UHFFFAOYSA-N -1 1 305.338 0.447 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)[C@@H](C)COC)nc2n1 ZINC000622993647 417521422 /nfs/dbraw/zinc/52/14/22/417521422.db2.gz VTMUJVKEEOYXES-IUCAKERBSA-N -1 1 307.354 0.837 20 0 DCADMM CN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1nn[n-]n1 ZINC000635124518 417583401 /nfs/dbraw/zinc/58/34/01/417583401.db2.gz VRPMUODSZGPVKZ-UHFFFAOYSA-N -1 1 303.322 0.910 20 0 DCADMM CC(C)(NC(=O)Cc1cc(F)cc2c1OCOC2)c1nn[n-]n1 ZINC000531097454 417606496 /nfs/dbraw/zinc/60/64/96/417606496.db2.gz XKWLWUKYQJPOTP-UHFFFAOYSA-N -1 1 321.312 0.799 20 0 DCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCC[C@H](O)C2)c1 ZINC000439752687 287388806 /nfs/dbraw/zinc/38/88/06/287388806.db2.gz YAMOZPLJVBWFFT-IUCAKERBSA-N -1 1 314.363 0.529 20 0 DCADMM CCOc1cc(C(=O)N2C[C@H](O)[C@@H](O)C2)cc(Cl)c1[O-] ZINC000628522317 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BPEHRBBBYJADKO-UHFFFAOYSA-N -1 1 324.381 0.296 20 0 DCADMM NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000320569273 597081561 /nfs/dbraw/zinc/08/15/61/597081561.db2.gz VMXXPJYVGTVWDD-LLVKDONJSA-N -1 1 319.361 0.911 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCNC(=O)C1 ZINC000826478647 607836465 /nfs/dbraw/zinc/83/64/65/607836465.db2.gz HGOSVBZCJFSSRU-QMMMGPOBSA-N -1 1 302.294 0.037 20 0 DCADMM CN(CC(=O)N1CCCC[C@H]1C(=O)[O-])c1ncnc2[nH]cnc21 ZINC000262627828 597450410 /nfs/dbraw/zinc/45/04/10/597450410.db2.gz DUUKOAMHXZJFAC-VIFPVBQESA-N -1 1 318.337 0.255 20 0 DCADMM COc1ccc(C(=O)[N-]C(=O)C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000818578938 597534770 /nfs/dbraw/zinc/53/47/70/597534770.db2.gz FGPPYYICNDEAQY-LLVKDONJSA-N -1 1 306.318 0.358 20 0 DCADMM C[C@H](NCC(=O)NCC(=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000820141375 597806482 /nfs/dbraw/zinc/80/64/82/597806482.db2.gz AYRPUVLODNGGRA-JTQLQIEISA-N -1 1 319.361 0.887 20 0 DCADMM CCc1cc(CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])n[nH]1 ZINC000820474509 598174784 /nfs/dbraw/zinc/17/47/84/598174784.db2.gz YJBPSOWJTDOWIT-UHFFFAOYSA-N -1 1 316.317 0.925 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C2CCC1CC2 ZINC000738352941 598262890 /nfs/dbraw/zinc/26/28/90/598262890.db2.gz CQELSFFHMWSPNO-UHFFFAOYSA-N -1 1 306.351 0.577 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C2CCC1CC2 ZINC000738352941 598262892 /nfs/dbraw/zinc/26/28/92/598262892.db2.gz CQELSFFHMWSPNO-UHFFFAOYSA-N -1 1 306.351 0.577 20 0 DCADMM Cc1noc(Cl)c1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000737546159 598287009 /nfs/dbraw/zinc/28/70/09/598287009.db2.gz NASDCTBGJIAETN-UHFFFAOYSA-N -1 1 308.689 0.478 20 0 DCADMM Oc1ccccc1N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000738401934 598385028 /nfs/dbraw/zinc/38/50/28/598385028.db2.gz XQINPABGKRWNHL-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Oc1ccccc1N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000738401934 598385030 /nfs/dbraw/zinc/38/50/30/598385030.db2.gz XQINPABGKRWNHL-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM O=C(NCCNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC000738077194 598385917 /nfs/dbraw/zinc/38/59/17/598385917.db2.gz BTTMWVCDKQAMHY-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC000738077194 598385919 /nfs/dbraw/zinc/38/59/19/598385919.db2.gz BTTMWVCDKQAMHY-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O[C@H](CNc1cnc(-c2nnn[n-]2)cn1)COc1ccccc1 ZINC000738381977 598386919 /nfs/dbraw/zinc/38/69/19/598386919.db2.gz JIFLORGDACGQMO-SNVBAGLBSA-N -1 1 313.321 0.509 20 0 DCADMM O[C@H](CNc1cnc(-c2nn[n-]n2)cn1)COc1ccccc1 ZINC000738381977 598386921 /nfs/dbraw/zinc/38/69/21/598386921.db2.gz JIFLORGDACGQMO-SNVBAGLBSA-N -1 1 313.321 0.509 20 0 DCADMM c1cnc(N2CCC[C@H](C3OCCO3)C2)c(-c2nnn[n-]2)n1 ZINC000738446344 598522149 /nfs/dbraw/zinc/52/21/49/598522149.db2.gz WJQKBTCZSZVFPL-VIFPVBQESA-N -1 1 303.326 0.246 20 0 DCADMM c1cnc(N2CCC[C@H](C3OCCO3)C2)c(-c2nn[n-]n2)n1 ZINC000738446344 598522150 /nfs/dbraw/zinc/52/21/50/598522150.db2.gz WJQKBTCZSZVFPL-VIFPVBQESA-N -1 1 303.326 0.246 20 0 DCADMM c1cnc(N2CCC[C@@H](C3OCCO3)C2)c(-c2nnn[n-]2)n1 ZINC000738446343 598522201 /nfs/dbraw/zinc/52/22/01/598522201.db2.gz WJQKBTCZSZVFPL-SECBINFHSA-N -1 1 303.326 0.246 20 0 DCADMM c1cnc(N2CCC[C@@H](C3OCCO3)C2)c(-c2nn[n-]n2)n1 ZINC000738446343 598522202 /nfs/dbraw/zinc/52/22/02/598522202.db2.gz WJQKBTCZSZVFPL-SECBINFHSA-N -1 1 303.326 0.246 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(C)CCCC2)n(C)c1=O ZINC000737598076 598538187 /nfs/dbraw/zinc/53/81/87/598538187.db2.gz YBDVOGMERUFNES-UHFFFAOYSA-N -1 1 319.369 0.256 20 0 DCADMM Cc1nnc2n1CCN(c1snc(Cl)c1-c1nnn[n-]1)C2 ZINC000737535285 598545426 /nfs/dbraw/zinc/54/54/26/598545426.db2.gz XSHBUDQCXWRQAP-UHFFFAOYSA-N -1 1 323.773 0.897 20 0 DCADMM Cc1nnc2n1CCN(c1snc(Cl)c1-c1nn[n-]n1)C2 ZINC000737535285 598545428 /nfs/dbraw/zinc/54/54/28/598545428.db2.gz XSHBUDQCXWRQAP-UHFFFAOYSA-N -1 1 323.773 0.897 20 0 DCADMM COC(=O)[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000736913783 598579388 /nfs/dbraw/zinc/57/93/88/598579388.db2.gz ZOEWALNAAAVIFC-ZETCQYMHSA-N -1 1 308.729 0.914 20 0 DCADMM COC(=O)[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000736913783 598579387 /nfs/dbraw/zinc/57/93/87/598579387.db2.gz ZOEWALNAAAVIFC-ZETCQYMHSA-N -1 1 308.729 0.914 20 0 DCADMM CCc1nn(C[C@@H]2CCOC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705605 598642286 /nfs/dbraw/zinc/64/22/86/598642286.db2.gz LLAYBJFQLWZRTM-VIFPVBQESA-N -1 1 304.354 0.585 20 0 DCADMM CNC(=O)CCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000736873770 598670840 /nfs/dbraw/zinc/67/08/40/598670840.db2.gz LSCQHUFNQNXDSE-UHFFFAOYSA-N -1 1 301.763 0.549 20 0 DCADMM CNC(=O)CCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000736873770 598670838 /nfs/dbraw/zinc/67/08/38/598670838.db2.gz LSCQHUFNQNXDSE-UHFFFAOYSA-N -1 1 301.763 0.549 20 0 DCADMM O=C(NCCNc1cccc(-c2nnn[n-]2)n1)c1cccnc1 ZINC000738078137 599410356 /nfs/dbraw/zinc/41/03/56/599410356.db2.gz NMNLGQGRACCOMC-UHFFFAOYSA-N -1 1 310.321 0.499 20 0 DCADMM O=C(NCCNc1cccc(-c2nn[n-]n2)n1)c1cccnc1 ZINC000738078137 599410360 /nfs/dbraw/zinc/41/03/60/599410360.db2.gz NMNLGQGRACCOMC-UHFFFAOYSA-N -1 1 310.321 0.499 20 0 DCADMM CC(=O)N1CCC(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735464592 599428189 /nfs/dbraw/zinc/42/81/89/599428189.db2.gz CAKRZDLFMDJQIP-UHFFFAOYSA-N -1 1 301.354 0.932 20 0 DCADMM CC(=O)N1CCC(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735464592 599428191 /nfs/dbraw/zinc/42/81/91/599428191.db2.gz CAKRZDLFMDJQIP-UHFFFAOYSA-N -1 1 301.354 0.932 20 0 DCADMM OCCn1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000823727171 599546646 /nfs/dbraw/zinc/54/66/46/599546646.db2.gz RHQCTBVRXALITH-UHFFFAOYSA-N -1 1 323.320 0.742 20 0 DCADMM OCCn1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC000823727171 599546648 /nfs/dbraw/zinc/54/66/48/599546648.db2.gz RHQCTBVRXALITH-UHFFFAOYSA-N -1 1 323.320 0.742 20 0 DCADMM O=C([O-])CSCCC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000739843346 599760280 /nfs/dbraw/zinc/76/02/80/599760280.db2.gz BHYDQYDOBHGUGV-RYUDHWBXSA-N -1 1 316.423 0.252 20 0 DCADMM O=C([O-])CSCCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000739843347 599760513 /nfs/dbraw/zinc/76/05/13/599760513.db2.gz BHYDQYDOBHGUGV-VXGBXAGGSA-N -1 1 316.423 0.252 20 0 DCADMM Cc1ccc(OCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000314067181 599777225 /nfs/dbraw/zinc/77/72/25/599777225.db2.gz BRDXKZUGQIWPJM-ZDUSSCGKSA-N -1 1 303.318 0.909 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CCC[C@@H](CCO)C1)C(=O)[O-] ZINC000736413853 599814561 /nfs/dbraw/zinc/81/45/61/599814561.db2.gz VOICXEQMDQJQFQ-STQMWFEESA-N -1 1 300.399 0.696 20 0 DCADMM CC(C)C[C@@H](NC(=O)CN1CCC[C@H]1Cn1cccn1)C(=O)[O-] ZINC000736414206 599918638 /nfs/dbraw/zinc/91/86/38/599918638.db2.gz XCRYBMLDKAFUPA-UONOGXRCSA-N -1 1 322.409 0.963 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C)C(=O)[O-] ZINC000736413005 600030216 /nfs/dbraw/zinc/03/02/16/600030216.db2.gz QTUIXEYKTGHSTC-WOPDTQHZSA-N -1 1 313.398 0.188 20 0 DCADMM C[C@@H](CN1CCN(C)CC1)NC(=O)c1cccc(C(=O)[O-])n1 ZINC000736586955 600075869 /nfs/dbraw/zinc/07/58/69/600075869.db2.gz QZZHRFDLXNQLAI-NSHDSACASA-N -1 1 306.366 0.146 20 0 DCADMM O=C([O-])[C@H]1C[C@@H]1C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000739560197 600166999 /nfs/dbraw/zinc/16/69/99/600166999.db2.gz QONSAUKSUHEMGT-YUMQZZPRSA-N -1 1 324.314 0.272 20 0 DCADMM CN(C)[C@H]1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000062966649 600230064 /nfs/dbraw/zinc/23/00/64/600230064.db2.gz HNZPTMCKRGBYIT-ZDUSSCGKSA-N -1 1 312.391 0.851 20 0 DCADMM CCc1cc(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000737251142 600348774 /nfs/dbraw/zinc/34/87/74/600348774.db2.gz RRIRBUAXFHTCDN-UHFFFAOYSA-N -1 1 316.317 0.925 20 0 DCADMM CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737521585 600467799 /nfs/dbraw/zinc/46/77/99/600467799.db2.gz OXLCUGGLTLWASP-LBPRGKRZSA-N -1 1 305.334 0.534 20 0 DCADMM CC[C@@](C)(NCC(=O)NC[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000736861944 600560075 /nfs/dbraw/zinc/56/00/75/600560075.db2.gz YZSOGZDDXIWRHX-BDJLRTHQSA-N -1 1 322.361 0.786 20 0 DCADMM C[C@H]1C[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCN1C ZINC000157607888 600766939 /nfs/dbraw/zinc/76/69/39/600766939.db2.gz WBVJDJGWQBRUOW-DTWKUNHWSA-N -1 1 301.368 0.474 20 0 DCADMM CCN1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)[C@@H](C)C1 ZINC000829752901 600788291 /nfs/dbraw/zinc/78/82/91/600788291.db2.gz LSHKZESBSRVIPS-ONGXEEELSA-N -1 1 315.395 0.342 20 0 DCADMM CC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cn2)CCN1C[C@@H](C)O ZINC000829140561 600901518 /nfs/dbraw/zinc/90/15/18/600901518.db2.gz FDBQWFSYGHOHEZ-DGCLKSJQSA-N -1 1 321.377 0.697 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2cnccn2)CC1 ZINC000827355131 601094812 /nfs/dbraw/zinc/09/48/12/601094812.db2.gz JFNOQGUJSNNQCJ-JDGPPOGSSA-N -1 1 304.350 0.497 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000827373899 601095179 /nfs/dbraw/zinc/09/51/79/601095179.db2.gz BBLZONJAGMKRRW-SNVBAGLBSA-N -1 1 306.366 0.908 20 0 DCADMM Cc1n[nH]c(C)c1CCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832990305 601100241 /nfs/dbraw/zinc/10/02/41/601100241.db2.gz UHQWTLPPSYZDHQ-NSHDSACASA-N -1 1 322.409 0.967 20 0 DCADMM Cc1nnc([C@@H]2CN(C(=O)[C@H](NC(=O)[O-])C(C)C)CCO2)[nH]1 ZINC000738339322 601100330 /nfs/dbraw/zinc/10/03/30/601100330.db2.gz YWGLJUIADUYHQH-VHSXEESVSA-N -1 1 311.342 0.305 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc3nccn3c2)CC1 ZINC000827380684 601103088 /nfs/dbraw/zinc/10/30/88/601103088.db2.gz UOVKXSCRKGUOCI-LBPRGKRZSA-N -1 1 316.361 0.955 20 0 DCADMM Cc1noc(C)c1CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000833020641 601105440 /nfs/dbraw/zinc/10/54/40/601105440.db2.gz ZONGHRFZWBPCMP-JTQLQIEISA-N -1 1 309.366 0.841 20 0 DCADMM Cc1noc(CCCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)n1 ZINC000833023102 601107209 /nfs/dbraw/zinc/10/72/09/601107209.db2.gz PXJBJRPEDGYAML-NSHDSACASA-N -1 1 324.381 0.708 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000827369073 601122772 /nfs/dbraw/zinc/12/27/72/601122772.db2.gz NJMPVBKFUSQHKC-LBPRGKRZSA-N -1 1 306.362 0.942 20 0 DCADMM COC[C@](C)(CCO)NCC(=O)Nc1ccsc1C(=O)[O-] ZINC000831591221 601201755 /nfs/dbraw/zinc/20/17/55/601201755.db2.gz SGCAMXFOEPZARH-ZDUSSCGKSA-N -1 1 316.379 0.762 20 0 DCADMM O=C([O-])[C@@H]1CCCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000819231662 601275201 /nfs/dbraw/zinc/27/52/01/601275201.db2.gz CJFCXBYCIURVOH-YFKPBYRVSA-N -1 1 305.406 0.995 20 0 DCADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC(c2nc[nH]n2)CC1)C(=O)[O-] ZINC000828716345 601330008 /nfs/dbraw/zinc/33/00/08/601330008.db2.gz GJLZMJCISSJFMF-MFKMUULPSA-N -1 1 323.397 0.600 20 0 DCADMM C[C@@H]1CN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C(=O)[O-] ZINC000828437711 601506754 /nfs/dbraw/zinc/50/67/54/601506754.db2.gz AUFMOBZFJBZJLD-PSASIEDQSA-N -1 1 318.333 0.860 20 0 DCADMM COC(=O)[C@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)C[C@@H]1C ZINC000831113450 601527331 /nfs/dbraw/zinc/52/73/31/601527331.db2.gz IJKYCXLIZFQITC-JQWIXIFHSA-N -1 1 312.366 0.051 20 0 DCADMM Cc1nnc(SCCC(=O)N2CCO[C@H](CC(=O)[O-])C2)[nH]1 ZINC000833021223 601738603 /nfs/dbraw/zinc/73/86/03/601738603.db2.gz LFZKDFIKACBXNX-SECBINFHSA-N -1 1 314.367 0.297 20 0 DCADMM CCC[C@]1(C)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000825247775 607543498 /nfs/dbraw/zinc/54/34/98/607543498.db2.gz HJZCBLZHJJIONU-AWEZNQCLSA-N -1 1 315.337 0.872 20 0 DCADMM CCC[C@]1(C)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000825247775 607543500 /nfs/dbraw/zinc/54/35/00/607543500.db2.gz HJZCBLZHJJIONU-AWEZNQCLSA-N -1 1 315.337 0.872 20 0 DCADMM Fc1cccnc1OCCNc1nccnc1-c1nnn[n-]1 ZINC000826378506 607563388 /nfs/dbraw/zinc/56/33/88/607563388.db2.gz NPQRCTGAGLLBHQ-UHFFFAOYSA-N -1 1 302.273 0.682 20 0 DCADMM Fc1cccnc1OCCNc1nccnc1-c1nn[n-]n1 ZINC000826378506 607563389 /nfs/dbraw/zinc/56/33/89/607563389.db2.gz NPQRCTGAGLLBHQ-UHFFFAOYSA-N -1 1 302.273 0.682 20 0 DCADMM O=C([O-])Nc1ccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1 ZINC000738660129 602500920 /nfs/dbraw/zinc/50/09/20/602500920.db2.gz CMWDKCRNGDRJPJ-JTQLQIEISA-N -1 1 318.293 0.503 20 0 DCADMM NC(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)o1 ZINC000826393110 607616000 /nfs/dbraw/zinc/61/60/00/607616000.db2.gz BYJIKSDNZNMLFF-UHFFFAOYSA-N -1 1 314.261 0.311 20 0 DCADMM NC(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)o1 ZINC000826393110 607616001 /nfs/dbraw/zinc/61/60/01/607616001.db2.gz BYJIKSDNZNMLFF-UHFFFAOYSA-N -1 1 314.261 0.311 20 0 DCADMM CC(C)CN1CCO[C@H](CNC(=O)C[C@H](C)NC(=O)[O-])C1 ZINC000824257873 603250537 /nfs/dbraw/zinc/25/05/37/603250537.db2.gz WLFPLZSXOVGFHL-NWDGAFQWSA-N -1 1 301.387 0.506 20 0 DCADMM C[C@@H]1CN(C[C@H](O)COC2CCOCC2)C[C@H](C)N1C(=O)[O-] ZINC000826047794 603461934 /nfs/dbraw/zinc/46/19/34/603461934.db2.gz FFPBMTASMHZHMY-XQQFMLRXSA-N -1 1 316.398 0.616 20 0 DCADMM O=C([O-])N[C@H]1CC[C@@H](C(=O)NCCCCN2CCOCC2)C1 ZINC000832262125 603484468 /nfs/dbraw/zinc/48/44/68/603484468.db2.gz IFRXEZLQWXBUPN-OLZOCXBDSA-N -1 1 313.398 0.651 20 0 DCADMM CN(CC(=O)NC(=O)NC(C)(C)C)CC(C)(C)CNC(=O)[O-] ZINC000828102967 603546492 /nfs/dbraw/zinc/54/64/92/603546492.db2.gz UJUISQCUXVRWRQ-UHFFFAOYSA-N -1 1 316.402 0.836 20 0 DCADMM COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)C1 ZINC000828984552 603661850 /nfs/dbraw/zinc/66/18/50/603661850.db2.gz FYTCANSOUCWCGR-RYUDHWBXSA-N -1 1 314.386 0.101 20 0 DCADMM COCCN1CC[C@H](NC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)C1 ZINC000828984552 603661853 /nfs/dbraw/zinc/66/18/53/603661853.db2.gz FYTCANSOUCWCGR-RYUDHWBXSA-N -1 1 314.386 0.101 20 0 DCADMM CCOC[C@@H]1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000827393847 603762846 /nfs/dbraw/zinc/76/28/46/603762846.db2.gz GWIUFKQMYKBZND-GFCCVEGCSA-N -1 1 311.382 0.515 20 0 DCADMM CC(C)[C@@H](CCN(C)CC(=O)NC(=O)NC1CC1)NC(=O)[O-] ZINC000824098143 603824744 /nfs/dbraw/zinc/82/47/44/603824744.db2.gz FKTIAOBBRFXMPY-LLVKDONJSA-N -1 1 314.386 0.589 20 0 DCADMM CCNC(=O)NC(=O)CN(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000827248602 603827051 /nfs/dbraw/zinc/82/70/51/603827051.db2.gz FBSHLSSZPLEEPA-JTQLQIEISA-N -1 1 302.375 0.446 20 0 DCADMM CNC(=O)NC(=O)[C@@H](C)N(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000828552707 603853014 /nfs/dbraw/zinc/85/30/14/603853014.db2.gz XNRWWMZTQVRELJ-ZJUUUORDSA-N -1 1 302.375 0.445 20 0 DCADMM CCc1nc(CN2CCN(C[C@H]3CCN(C(=O)[O-])C3)CC2)no1 ZINC000827631506 603966429 /nfs/dbraw/zinc/96/64/29/603966429.db2.gz HUFDVOUJXJFLEV-GFCCVEGCSA-N -1 1 323.397 0.750 20 0 DCADMM CCC[C@H](NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)c1nn[nH]n1 ZINC000826745740 604003169 /nfs/dbraw/zinc/00/31/69/604003169.db2.gz YZKYLXPROTYQIY-GUBZILKMSA-N -1 1 310.358 0.984 20 0 DCADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)COC1CN(C(=O)[O-])C1 ZINC000826086818 604010695 /nfs/dbraw/zinc/01/06/95/604010695.db2.gz CMPZPDZROKXNDH-RYUDHWBXSA-N -1 1 311.382 0.450 20 0 DCADMM O=C([O-])N1CCN2C(=O)N(CN3CCC4(CCC4)C3)C[C@H]2C1 ZINC000832041914 604021219 /nfs/dbraw/zinc/02/12/19/604021219.db2.gz FXFHUFRMKMALOV-GFCCVEGCSA-N -1 1 308.382 0.920 20 0 DCADMM Cc1cc(CC(=O)NCCCN2CCN(C(=O)[O-])CC2)[nH]n1 ZINC000830030572 604171385 /nfs/dbraw/zinc/17/13/85/604171385.db2.gz PAMZXQLJQLVKIB-UHFFFAOYSA-N -1 1 309.370 0.063 20 0 DCADMM CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827249847 604191234 /nfs/dbraw/zinc/19/12/34/604191234.db2.gz OFBQCLVRUAZWQC-DCAQKATOSA-N -1 1 314.386 0.589 20 0 DCADMM Cc1cc(CC(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])[nH]n1 ZINC000830031746 604219943 /nfs/dbraw/zinc/21/99/43/604219943.db2.gz YGYMFURGMIVTBN-GXSJLCMTSA-N -1 1 310.354 0.880 20 0 DCADMM CN1CCN(CCNC(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000830955057 604270467 /nfs/dbraw/zinc/27/04/67/604270467.db2.gz YXHYROMREIJUIL-UHFFFAOYSA-N -1 1 309.341 0.501 20 0 DCADMM Nc1nsc(N2CCN(C[C@@H]3CCN(C(=O)[O-])C3)CC2)n1 ZINC000831265388 604321350 /nfs/dbraw/zinc/32/13/50/604321350.db2.gz JOHIQUYXFIZVGB-VIFPVBQESA-N -1 1 312.399 0.242 20 0 DCADMM CN1CCN(C)[C@H](CNC(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000387121956 604324139 /nfs/dbraw/zinc/32/41/39/604324139.db2.gz ZEFFQFDGASQEDY-GFCCVEGCSA-N -1 1 307.354 0.147 20 0 DCADMM C[C@@H]1CN(CCNC(=O)[O-])CCN1C[C@@H](O)c1ccccc1 ZINC000826059643 604362947 /nfs/dbraw/zinc/36/29/47/604362947.db2.gz XZJICPHVLGLHIA-UKRRQHHQSA-N -1 1 307.394 0.994 20 0 DCADMM CCN(CC)C(=O)C1CCN([C@H](C)C(=O)NCC(=O)[O-])CC1 ZINC000829649000 604588172 /nfs/dbraw/zinc/58/81/72/604588172.db2.gz XEWRPPXOQRYFON-LLVKDONJSA-N -1 1 313.398 0.156 20 0 DCADMM CN(C)C(=O)CN[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833688008 604618811 /nfs/dbraw/zinc/61/88/11/604618811.db2.gz HFPNOEBXHDKGIA-KRWDZBQOSA-N -1 1 319.405 0.784 20 0 DCADMM CCc1nc([C@@H]2CN(Cc3c[nH]c(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000830304594 604685860 /nfs/dbraw/zinc/68/58/60/604685860.db2.gz RNMRCLOGWZONIJ-NSHDSACASA-N -1 1 305.338 0.967 20 0 DCADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC(O)(C(=O)[O-])CC1 ZINC000833608614 604725402 /nfs/dbraw/zinc/72/54/02/604725402.db2.gz NOFBUPMZOXBSFU-OLZOCXBDSA-N -1 1 312.410 0.935 20 0 DCADMM C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC(O)(C(=O)[O-])CC1 ZINC000833610587 604729254 /nfs/dbraw/zinc/72/92/54/604729254.db2.gz FLLPBIQTRRGSTD-AGIUHOORSA-N -1 1 312.410 0.981 20 0 DCADMM C[C@@H](CN(CC(=O)NCC(=O)NC(C)(C)C)C1CC1)C(=O)[O-] ZINC000827448941 604739315 /nfs/dbraw/zinc/73/93/15/604739315.db2.gz DGXPGICDDJLRAB-JTQLQIEISA-N -1 1 313.398 0.202 20 0 DCADMM NS(=O)(=O)CCN(CCCC(=O)[O-])Cc1ccccc1 ZINC000833087802 604783411 /nfs/dbraw/zinc/78/34/11/604783411.db2.gz HOFCDNKWCUXTSY-UHFFFAOYSA-N -1 1 300.380 0.642 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CCC[C@H]([C@@H](C)O)C1)C(=O)[O-] ZINC000833477384 604922400 /nfs/dbraw/zinc/92/24/00/604922400.db2.gz HXBMMUYRVZSLGF-AGIUHOORSA-N -1 1 300.399 0.695 20 0 DCADMM C[C@H](C1CC1)N(C(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1)C1CC1 ZINC000833514281 604978644 /nfs/dbraw/zinc/97/86/44/604978644.db2.gz TVAONXIERFJPKV-BDJLRTHQSA-N -1 1 324.421 0.933 20 0 DCADMM Cc1cccc(S(=O)(=O)N(C)CCN(C)C)c1C(=O)[O-] ZINC000833753458 605042967 /nfs/dbraw/zinc/04/29/67/605042967.db2.gz NSCGIBPRQHRTBX-UHFFFAOYSA-N -1 1 300.380 0.875 20 0 DCADMM CC(C)CCn1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])nn1 ZINC000833483569 605080657 /nfs/dbraw/zinc/08/06/57/605080657.db2.gz CFUSYEMWSIBDTH-NSHDSACASA-N -1 1 320.353 0.473 20 0 DCADMM C[C@H]1C[C@@H](NCc2ccoc2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000833599906 605115416 /nfs/dbraw/zinc/11/54/16/605115416.db2.gz INTVTOAYJUVAIS-JOYOIKCWSA-N -1 1 318.333 0.995 20 0 DCADMM C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000833623033 605158429 /nfs/dbraw/zinc/15/84/29/605158429.db2.gz DBZMCFJICBPIIG-SNVBAGLBSA-N -1 1 321.333 0.401 20 0 DCADMM O[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCc2ccccc21 ZINC000826505990 607739456 /nfs/dbraw/zinc/73/94/56/607739456.db2.gz KDHJHMRDPLCTMY-OAHLLOKOSA-N -1 1 309.333 0.903 20 0 DCADMM O[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCc2ccccc21 ZINC000826505990 607739457 /nfs/dbraw/zinc/73/94/57/607739457.db2.gz KDHJHMRDPLCTMY-OAHLLOKOSA-N -1 1 309.333 0.903 20 0 DCADMM CN1CCC(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC000355471208 605197060 /nfs/dbraw/zinc/19/70/60/605197060.db2.gz KYPMOQQHKBXYCS-UHFFFAOYSA-N -1 1 316.354 0.896 20 0 DCADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)c1nnc[nH]1 ZINC000833683445 605442641 /nfs/dbraw/zinc/44/26/41/605442641.db2.gz SMSNQJMOHMXPBH-ZCFIWIBFSA-N -1 1 314.323 0.698 20 0 DCADMM CCNC(=O)NC(=O)[C@H](C)N1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000827251357 605443474 /nfs/dbraw/zinc/44/34/74/605443474.db2.gz YRETZZHSNBXNDT-DCAQKATOSA-N -1 1 314.386 0.731 20 0 DCADMM CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000827251257 605472106 /nfs/dbraw/zinc/47/21/06/605472106.db2.gz XDJFLQDHIBBUAD-UWVGGRQHSA-N -1 1 300.359 0.295 20 0 DCADMM CCc1noc([C@@H](C)N2CCN(C[C@@](C)(O)C(=O)[O-])CC2)n1 ZINC000833679315 605498347 /nfs/dbraw/zinc/49/83/47/605498347.db2.gz PBRLYYNWWSJIPG-QMTHXVAHSA-N -1 1 312.370 0.146 20 0 DCADMM CN(C1CCN(C[C@@H]2CCCN2C(=O)[O-])CC1)S(C)(=O)=O ZINC000833870888 605557282 /nfs/dbraw/zinc/55/72/82/605557282.db2.gz WEPIXINUWCBGER-LBPRGKRZSA-N -1 1 319.427 0.485 20 0 DCADMM CC(C)CNC(=O)NC(=O)CN1CC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833797175 605561443 /nfs/dbraw/zinc/56/14/43/605561443.db2.gz UJHGGXMXTGOYGG-MNOVXSKESA-N -1 1 314.386 0.446 20 0 DCADMM O=C([O-])Nc1ccccc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000740045228 605695987 /nfs/dbraw/zinc/69/59/87/605695987.db2.gz FQHYWANNVRYCMN-SNVBAGLBSA-N -1 1 318.293 0.503 20 0 DCADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NCC(=O)[O-] ZINC000820199861 605719656 /nfs/dbraw/zinc/71/96/56/605719656.db2.gz MHMGKTRZZGAERI-LLVKDONJSA-N -1 1 317.349 0.461 20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000833831570 605899520 /nfs/dbraw/zinc/89/95/20/605899520.db2.gz OIJAANADJUKRPW-WZRBSPASSA-N -1 1 321.381 0.503 20 0 DCADMM CCCNC(=O)NC(=O)CN1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833856080 605903707 /nfs/dbraw/zinc/90/37/07/605903707.db2.gz WQOYIZHWKNGFOC-NXEZZACHSA-N -1 1 300.359 0.200 20 0 DCADMM CC[C@H]1CN(C(=O)CCCCNC(=O)[O-])CCN1C[C@@H](C)O ZINC000833851012 605923128 /nfs/dbraw/zinc/92/31/28/605923128.db2.gz YLQPQQNADHRBPA-OLZOCXBDSA-N -1 1 315.414 0.728 20 0 DCADMM O=C([O-])N1CCC(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)CC1 ZINC000834070528 605960130 /nfs/dbraw/zinc/96/01/30/605960130.db2.gz BDVUWCCLJULCQG-JTQLQIEISA-N -1 1 308.342 0.296 20 0 DCADMM O=C(CN(C(=O)[O-])C1CC1)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000833997969 605989482 /nfs/dbraw/zinc/98/94/82/605989482.db2.gz HIQWSYNOUGTMEA-LBPRGKRZSA-N -1 1 316.321 0.548 20 0 DCADMM O=C([O-])Nc1cnc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cn1 ZINC000834281086 606061683 /nfs/dbraw/zinc/06/16/83/606061683.db2.gz WSGDLIXBWVNPNR-SSDOTTSWSA-N -1 1 302.294 0.577 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(O)cc2)n1 ZINC000822619867 606157360 /nfs/dbraw/zinc/15/73/60/606157360.db2.gz ISDJZLYWDGWZEY-UHFFFAOYSA-N -1 1 314.309 0.628 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(O)cc2)n1 ZINC000822619867 606157362 /nfs/dbraw/zinc/15/73/62/606157362.db2.gz ISDJZLYWDGWZEY-UHFFFAOYSA-N -1 1 314.309 0.628 20 0 DCADMM COCCCCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821686868 606163736 /nfs/dbraw/zinc/16/37/36/606163736.db2.gz CPJBXVOSAWUKJP-UHFFFAOYSA-N -1 1 308.346 0.538 20 0 DCADMM COCCCCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821686868 606163737 /nfs/dbraw/zinc/16/37/37/606163737.db2.gz CPJBXVOSAWUKJP-UHFFFAOYSA-N -1 1 308.346 0.538 20 0 DCADMM COC(=O)[C@@H]1CCC[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000821655323 606196718 /nfs/dbraw/zinc/19/67/18/606196718.db2.gz JFZNCXWZTUENHE-JGVFFNPUSA-N -1 1 319.325 0.265 20 0 DCADMM C[C@]1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC[C@@H]1O ZINC000820618415 606326328 /nfs/dbraw/zinc/32/63/28/606326328.db2.gz DBNCHOSYOPZLFL-SWLSCSKDSA-N -1 1 316.365 0.933 20 0 DCADMM C[C@]1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC[C@@H]1O ZINC000820618415 606326330 /nfs/dbraw/zinc/32/63/30/606326330.db2.gz DBNCHOSYOPZLFL-SWLSCSKDSA-N -1 1 316.365 0.933 20 0 DCADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000821640161 606522203 /nfs/dbraw/zinc/52/22/03/606522203.db2.gz BYTHVOJBFVQJJE-VIFPVBQESA-N -1 1 307.335 0.610 20 0 DCADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000821640161 606522205 /nfs/dbraw/zinc/52/22/05/606522205.db2.gz BYTHVOJBFVQJJE-VIFPVBQESA-N -1 1 307.335 0.610 20 0 DCADMM CS(=O)(=O)CCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821927458 606529321 /nfs/dbraw/zinc/52/93/21/606529321.db2.gz XXKYMXUHHXUKDS-UHFFFAOYSA-N -1 1 315.380 0.093 20 0 DCADMM CS(=O)(=O)CCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821927458 606529323 /nfs/dbraw/zinc/52/93/23/606529323.db2.gz XXKYMXUHHXUKDS-UHFFFAOYSA-N -1 1 315.380 0.093 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823269412 606554376 /nfs/dbraw/zinc/55/43/76/606554376.db2.gz GAIIKGHYGRHTSW-UHFFFAOYSA-N -1 1 316.350 0.785 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823269412 606554377 /nfs/dbraw/zinc/55/43/77/606554377.db2.gz GAIIKGHYGRHTSW-UHFFFAOYSA-N -1 1 316.350 0.785 20 0 DCADMM COC(=O)[C@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821638598 606560384 /nfs/dbraw/zinc/56/03/84/606560384.db2.gz CMZVBJFPMQOFQL-SSDOTTSWSA-N -1 1 309.351 0.809 20 0 DCADMM COC(=O)[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821638598 606560385 /nfs/dbraw/zinc/56/03/85/606560385.db2.gz CMZVBJFPMQOFQL-SSDOTTSWSA-N -1 1 309.351 0.809 20 0 DCADMM CN1CC[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC000821622171 606650992 /nfs/dbraw/zinc/65/09/92/606650992.db2.gz UYXPXOWHHMVHBX-JTQLQIEISA-N -1 1 316.321 0.173 20 0 DCADMM CN1CC[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC000821622171 606650993 /nfs/dbraw/zinc/65/09/93/606650993.db2.gz UYXPXOWHHMVHBX-JTQLQIEISA-N -1 1 316.321 0.173 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1ccc(F)c(F)c1 ZINC000822904410 606695305 /nfs/dbraw/zinc/69/53/05/606695305.db2.gz YILJWCXAGUWONS-UHFFFAOYSA-N -1 1 305.248 0.807 20 0 DCADMM CN1CCO[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC000821628667 606751895 /nfs/dbraw/zinc/75/18/95/606751895.db2.gz NYPLXPWNVTXRHK-BDAKNGLRSA-N -1 1 320.378 0.083 20 0 DCADMM CN1CCO[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC000821628667 606751897 /nfs/dbraw/zinc/75/18/97/606751897.db2.gz NYPLXPWNVTXRHK-BDAKNGLRSA-N -1 1 320.378 0.083 20 0 DCADMM Cc1c(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cnn1C ZINC000822105994 606836367 /nfs/dbraw/zinc/83/63/67/606836367.db2.gz ZWWBBXXFZWZDPO-UHFFFAOYSA-N -1 1 302.302 0.286 20 0 DCADMM Cc1c(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cnn1C ZINC000822105994 606836369 /nfs/dbraw/zinc/83/63/69/606836369.db2.gz ZWWBBXXFZWZDPO-UHFFFAOYSA-N -1 1 302.302 0.286 20 0 DCADMM COC(=O)c1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)s1 ZINC000821669497 606862930 /nfs/dbraw/zinc/86/29/30/606862930.db2.gz OMFZODMMPBHHRA-UHFFFAOYSA-N -1 1 317.330 0.925 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H]2CCC[C@@H]21 ZINC000823600054 606874146 /nfs/dbraw/zinc/87/41/46/606874146.db2.gz CEGJCEHQFIGNLU-KCJUWKMLSA-N -1 1 306.351 0.435 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H]2CCC[C@@H]21 ZINC000823600054 606874147 /nfs/dbraw/zinc/87/41/47/606874147.db2.gz CEGJCEHQFIGNLU-KCJUWKMLSA-N -1 1 306.351 0.435 20 0 DCADMM C[C@H]1SCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@H]1C ZINC000820820082 607069789 /nfs/dbraw/zinc/06/97/89/607069789.db2.gz MNBIQBFRWPANNS-JGVFFNPUSA-N -1 1 322.398 0.958 20 0 DCADMM C[C@H]1SCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@H]1C ZINC000820820082 607069791 /nfs/dbraw/zinc/06/97/91/607069791.db2.gz MNBIQBFRWPANNS-JGVFFNPUSA-N -1 1 322.398 0.958 20 0 DCADMM C[C@H](CCNC(=O)c1ccc(-c2nnn[n-]2)nc1)[S@](C)=O ZINC000820241910 607098474 /nfs/dbraw/zinc/09/84/74/607098474.db2.gz JVSSODMZAWGBCW-ZEDNOMKYSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)nc1)[S@](C)=O ZINC000820241910 607098475 /nfs/dbraw/zinc/09/84/75/607098475.db2.gz JVSSODMZAWGBCW-ZEDNOMKYSA-N -1 1 308.367 0.149 20 0 DCADMM NC(=O)c1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nc1 ZINC000822880591 607104754 /nfs/dbraw/zinc/10/47/54/607104754.db2.gz UBSBWJBDIGZBFR-UHFFFAOYSA-N -1 1 316.306 0.069 20 0 DCADMM NC(=O)c1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nc1 ZINC000822880591 607104755 /nfs/dbraw/zinc/10/47/55/607104755.db2.gz UBSBWJBDIGZBFR-UHFFFAOYSA-N -1 1 316.306 0.069 20 0 DCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820315326 607107712 /nfs/dbraw/zinc/10/77/12/607107712.db2.gz NPWDYPJFIZJUEB-LURJTMIESA-N -1 1 323.382 0.813 20 0 DCADMM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820315326 607107713 /nfs/dbraw/zinc/10/77/13/607107713.db2.gz NPWDYPJFIZJUEB-LURJTMIESA-N -1 1 323.382 0.813 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCCNC2=O)n1 ZINC000822427180 607161307 /nfs/dbraw/zinc/16/13/07/607161307.db2.gz DSCLJRUWTUERMJ-MRVPVSSYSA-N -1 1 305.367 0.644 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCc2ccccc2C1 ZINC000823126029 607206140 /nfs/dbraw/zinc/20/61/40/607206140.db2.gz FQMNAOIWOAHVSX-GFCCVEGCSA-N -1 1 324.348 0.132 20 0 DCADMM CC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC000820916109 607212374 /nfs/dbraw/zinc/21/23/74/607212374.db2.gz YVFXSNRVICPTPW-LLVKDONJSA-N -1 1 318.385 0.933 20 0 DCADMM Cn1ccc2c1cccc2NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822690133 607213903 /nfs/dbraw/zinc/21/39/03/607213903.db2.gz SUOXRZORTZFFBJ-UHFFFAOYSA-N -1 1 323.320 0.589 20 0 DCADMM CC[C@@H](C)[C@@H](C)N(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC000820859141 607214232 /nfs/dbraw/zinc/21/42/32/607214232.db2.gz BOSOKMNFZVZSPB-NXEZZACHSA-N -1 1 318.385 0.884 20 0 DCADMM CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821950461 607225054 /nfs/dbraw/zinc/22/50/54/607225054.db2.gz NDDPAGTYJGBYQS-RCOVLWMOSA-N -1 1 313.408 0.770 20 0 DCADMM CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821950461 607225055 /nfs/dbraw/zinc/22/50/55/607225055.db2.gz NDDPAGTYJGBYQS-RCOVLWMOSA-N -1 1 313.408 0.770 20 0 DCADMM C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824699060 607778718 /nfs/dbraw/zinc/77/87/18/607778718.db2.gz PSKXYRVKXBTUPC-MWLCHTKSSA-N -1 1 302.338 0.637 20 0 DCADMM C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824699060 607778719 /nfs/dbraw/zinc/77/87/19/607778719.db2.gz PSKXYRVKXBTUPC-MWLCHTKSSA-N -1 1 302.338 0.637 20 0 DCADMM Cc1noc(C)c1CCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000826334591 607893389 /nfs/dbraw/zinc/89/33/89/607893389.db2.gz AZBKTGHZXNIIPZ-UHFFFAOYSA-N -1 1 315.337 0.888 20 0 DCADMM c1nn(-c2ncccn2)cc1Nc1cccc(-c2nnn[n-]2)n1 ZINC000826524670 607900449 /nfs/dbraw/zinc/90/04/49/607900449.db2.gz DYXRLAFIKHYTIJ-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1nn(-c2ncccn2)cc1Nc1cccc(-c2nn[n-]n2)n1 ZINC000826524670 607900450 /nfs/dbraw/zinc/90/04/50/607900450.db2.gz DYXRLAFIKHYTIJ-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM CCOC(=O)C1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000825493860 607998027 /nfs/dbraw/zinc/99/80/27/607998027.db2.gz PHEGWHRENZMRAX-UHFFFAOYSA-N -1 1 317.305 0.854 20 0 DCADMM COc1ccc(C(=O)Cn2ccnc2-c2nnn[n-]2)cc1OC ZINC000826187506 608012791 /nfs/dbraw/zinc/01/27/91/608012791.db2.gz SYPTZHVOOIACJD-UHFFFAOYSA-N -1 1 314.305 0.963 20 0 DCADMM COc1ccc(C(=O)Cn2ccnc2-c2nn[n-]n2)cc1OC ZINC000826187506 608012792 /nfs/dbraw/zinc/01/27/92/608012792.db2.gz SYPTZHVOOIACJD-UHFFFAOYSA-N -1 1 314.305 0.963 20 0 DCADMM O=c1cc(Cn2ccnc2-c2nnn[n-]2)nc2sccn21 ZINC000826502146 608013185 /nfs/dbraw/zinc/01/31/85/608013185.db2.gz WAIIHYRVTPEADB-UHFFFAOYSA-N -1 1 300.307 0.181 20 0 DCADMM O=c1cc(Cn2ccnc2-c2nn[n-]n2)nc2sccn21 ZINC000826502146 608013186 /nfs/dbraw/zinc/01/31/86/608013186.db2.gz WAIIHYRVTPEADB-UHFFFAOYSA-N -1 1 300.307 0.181 20 0 DCADMM CC[C@@H](C)C(=O)Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC000825049719 608022651 /nfs/dbraw/zinc/02/26/51/608022651.db2.gz DLDVXTZFKLESNP-MRVPVSSYSA-N -1 1 319.321 0.430 20 0 DCADMM NC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000826392352 608099982 /nfs/dbraw/zinc/09/99/82/608099982.db2.gz VEPFQBPASSAUEC-VIFPVBQESA-N -1 1 324.348 0.662 20 0 DCADMM NC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000826392352 608099983 /nfs/dbraw/zinc/09/99/83/608099983.db2.gz VEPFQBPASSAUEC-VIFPVBQESA-N -1 1 324.348 0.662 20 0 DCADMM O=C1C[C@H]([C@@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)CN1 ZINC000826478949 608149448 /nfs/dbraw/zinc/14/94/48/608149448.db2.gz NACJSOMWZNZWIC-JQWIXIFHSA-N -1 1 313.365 0.757 20 0 DCADMM O=C1C[C@H]([C@@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)CN1 ZINC000826478949 608149449 /nfs/dbraw/zinc/14/94/49/608149449.db2.gz NACJSOMWZNZWIC-JQWIXIFHSA-N -1 1 313.365 0.757 20 0 DCADMM CC[C@@]1(C)COCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825164883 608167450 /nfs/dbraw/zinc/16/74/50/608167450.db2.gz LQYJMFRJIJBVRZ-AWEZNQCLSA-N -1 1 302.338 0.903 20 0 DCADMM CC[C@@]1(C)COCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825164883 608167451 /nfs/dbraw/zinc/16/74/51/608167451.db2.gz LQYJMFRJIJBVRZ-AWEZNQCLSA-N -1 1 302.338 0.903 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCOCC1 ZINC000826462721 608173424 /nfs/dbraw/zinc/17/34/24/608173424.db2.gz GRBLSRRWTBTXML-UHFFFAOYSA-N -1 1 317.305 0.414 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCOCC1 ZINC000826462721 608173425 /nfs/dbraw/zinc/17/34/25/608173425.db2.gz GRBLSRRWTBTXML-UHFFFAOYSA-N -1 1 317.305 0.414 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826514546 608198792 /nfs/dbraw/zinc/19/87/92/608198792.db2.gz VNQTWWLTMBVZOC-RNCFNFMXSA-N -1 1 303.326 0.407 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826514546 608198794 /nfs/dbraw/zinc/19/87/94/608198794.db2.gz VNQTWWLTMBVZOC-RNCFNFMXSA-N -1 1 303.326 0.407 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CCCCO)C1CC1 ZINC000826472390 608203551 /nfs/dbraw/zinc/20/35/51/608203551.db2.gz JJMMFMQYMMKLLE-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CCCCO)C1CC1 ZINC000826472390 608203553 /nfs/dbraw/zinc/20/35/53/608203553.db2.gz JJMMFMQYMMKLLE-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM c1ncn(-c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cn2)n1 ZINC000826526530 608401626 /nfs/dbraw/zinc/40/16/26/608401626.db2.gz CEZGMWDNJHCHEU-UHFFFAOYSA-N -1 1 321.308 0.245 20 0 DCADMM c1ncn(-c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cn2)n1 ZINC000826526530 608401628 /nfs/dbraw/zinc/40/16/28/608401628.db2.gz CEZGMWDNJHCHEU-UHFFFAOYSA-N -1 1 321.308 0.245 20 0 DCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(=O)NCc1ccccc1 ZINC000824649518 608402724 /nfs/dbraw/zinc/40/27/24/608402724.db2.gz NELXYBHZWOMOOF-JTQLQIEISA-N -1 1 324.348 0.774 20 0 DCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(=O)NCc1ccccc1 ZINC000824649518 608402725 /nfs/dbraw/zinc/40/27/25/608402725.db2.gz NELXYBHZWOMOOF-JTQLQIEISA-N -1 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ZINC000912862943 664238430 /nfs/dbraw/zinc/23/84/30/664238430.db2.gz GCOQOPCRNOGFNS-RVBZMBCESA-N -1 1 311.411 0.925 20 0 DCADMM CO[C@]1(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)CCSC1 ZINC000913436987 664314259 /nfs/dbraw/zinc/31/42/59/664314259.db2.gz JFUTYFVPSMAMEO-SMDDNHRTSA-N -1 1 319.390 0.927 20 0 DCADMM O=C(C[C@@H]1Cc2ccccc2O1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494211 664328672 /nfs/dbraw/zinc/32/86/72/664328672.db2.gz VUYWTJHEKOCZAK-RYUDHWBXSA-N -1 1 315.333 0.493 20 0 DCADMM O=C(c1ccc2c(c1)COC2)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494216 664328934 /nfs/dbraw/zinc/32/89/34/664328934.db2.gz AKGXNOUIPQCKBN-GFCCVEGCSA-N -1 1 301.306 0.444 20 0 DCADMM O=C(Cc1cnc2ccccc2c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494287 664329452 /nfs/dbraw/zinc/32/94/52/664329452.db2.gz DLGABGOYQROYHQ-CQSZACIVSA-N -1 1 324.344 0.891 20 0 DCADMM CC(C)c1cccc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)n1 ZINC000913495465 664330181 /nfs/dbraw/zinc/33/01/81/664330181.db2.gz KTICXFZXXDAGLO-LBPRGKRZSA-N -1 1 302.338 0.932 20 0 DCADMM CN1CCc2cc(C(=O)N3CCOC[C@H]3c3nn[n-]n3)ccc21 ZINC000913498657 664333883 /nfs/dbraw/zinc/33/38/83/664333883.db2.gz PUBWDCDNCHRIIE-ZDUSSCGKSA-N -1 1 314.349 0.406 20 0 DCADMM Cc1ncsc1C=CC(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913499743 664334182 /nfs/dbraw/zinc/33/41/82/664334182.db2.gz ZPBQCWOQOGUMDG-PKRMOACSSA-N -1 1 306.351 0.578 20 0 DCADMM CCNS(=O)(=O)CCNC(=O)c1ccc(Cl)cc1[O-] ZINC000225274601 664471266 /nfs/dbraw/zinc/47/12/66/664471266.db2.gz XWOASTGTTFQWAG-UHFFFAOYSA-N -1 1 306.771 0.715 20 0 DCADMM CC[C@H]1CCC[C@@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000950099554 664494032 /nfs/dbraw/zinc/49/40/32/664494032.db2.gz QNTHBJLVXLSRDD-STQMWFEESA-N -1 1 321.425 0.579 20 0 DCADMM Cn1[n-]c(CN2CC(NC(=O)[C@H]3CCC=CCCC3)C2)nc1=O ZINC001030511709 664573000 /nfs/dbraw/zinc/57/30/00/664573000.db2.gz BUEWOWFLPVAWIZ-LBPRGKRZSA-N -1 1 319.409 0.545 20 0 DCADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1ccc(-n2ccnc2)nc1 ZINC000174576356 664640569 /nfs/dbraw/zinc/64/05/69/664640569.db2.gz ABJXRDNGTKWMES-UHFFFAOYSA-N -1 1 313.321 0.041 20 0 DCADMM C[S@](=O)c1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913742766 664717976 /nfs/dbraw/zinc/71/79/76/664717976.db2.gz SVTMROOSEFRLBE-QFIPXVFZSA-N -1 1 319.390 0.957 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)CC(=O)OC)o1 ZINC000760337160 664736614 /nfs/dbraw/zinc/73/66/14/664736614.db2.gz IIVQJDYECLKPLY-SSDOTTSWSA-N -1 1 305.308 0.296 20 0 DCADMM O=C(Cc1ccc[nH]1)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000992616512 664751067 /nfs/dbraw/zinc/75/10/67/664751067.db2.gz GOIOIWMUUKJATF-UHFFFAOYSA-N -1 1 300.318 0.299 20 0 DCADMM CC(C)OC(=O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000312282434 664761714 /nfs/dbraw/zinc/76/17/14/664761714.db2.gz XZYSNVVSZQSFQW-UHFFFAOYSA-N -1 1 320.298 0.964 20 0 DCADMM C[C@H](NC(=O)NCCc1c(F)cc([O-])cc1F)C(=O)N(C)C ZINC000914169121 664762656 /nfs/dbraw/zinc/76/26/56/664762656.db2.gz ODPKPQPEODRNDM-QMMMGPOBSA-N -1 1 315.320 0.989 20 0 DCADMM COC(=O)[C@H](CO)[N-]S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000914327288 664772142 /nfs/dbraw/zinc/77/21/42/664772142.db2.gz GQMNVMZYRWBZKM-GRYCIOLGSA-N -1 1 317.338 0.135 20 0 DCADMM O=C(NC1CN(Cc2cnon2)C1)c1cnc(C2CC2)[n-]c1=O ZINC001031060807 664782805 /nfs/dbraw/zinc/78/28/05/664782805.db2.gz KHRIUQAHDPDCJP-UHFFFAOYSA-N -1 1 316.321 0.057 20 0 DCADMM C[C@@H]1[C@H](NC(=O)C(C)(C)F)CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000992940093 664785355 /nfs/dbraw/zinc/78/53/55/664785355.db2.gz DAXJTGWNLIMEQO-NXEZZACHSA-N -1 1 313.377 0.326 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)CC2CC2)CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000992948043 664786163 /nfs/dbraw/zinc/78/61/63/664786163.db2.gz ORWIEUPUZYVBRP-PWSUYJOCSA-N -1 1 307.398 0.378 20 0 DCADMM CCN1CCC(N(C)S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000737851360 664802591 /nfs/dbraw/zinc/80/25/91/664802591.db2.gz JHLPBFRQSGEMJQ-LBPRGKRZSA-N -1 1 319.427 0.196 20 0 DCADMM O=C(CCc1ccccc1F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855318 664885940 /nfs/dbraw/zinc/88/59/40/664885940.db2.gz ZAMFZNWRJQXNHN-LBPRGKRZSA-N -1 1 305.313 0.872 20 0 DCADMM O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855033 664886060 /nfs/dbraw/zinc/88/60/60/664886060.db2.gz BCUYABSPGCTEGM-CYBMUJFWSA-N -1 1 315.333 0.277 20 0 DCADMM CC(C)(C)OC(=O)NC1(C(=O)NCc2nn[n-]n2)CCCC1 ZINC000732158156 664906629 /nfs/dbraw/zinc/90/66/29/664906629.db2.gz VQYRKHLVSWDYGQ-UHFFFAOYSA-N -1 1 310.358 0.653 20 0 DCADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1CC(=O)N(C)C ZINC000993253361 664916246 /nfs/dbraw/zinc/91/62/46/664916246.db2.gz WORBQNSMCPHARY-NWDGAFQWSA-N -1 1 320.393 0.458 20 0 DCADMM O=C(NCc1nn[n-]n1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732660060 664950226 /nfs/dbraw/zinc/95/02/26/664950226.db2.gz HEFJLURQCPPZDX-JTQLQIEISA-N -1 1 308.248 0.287 20 0 DCADMM CN1c2ccccc2C[C@@H]([N-]S(=O)(=O)CC2(F)CC2)C1=O ZINC000917187033 665120321 /nfs/dbraw/zinc/12/03/21/665120321.db2.gz ZUXCUMGKFSXGED-LLVKDONJSA-N -1 1 312.366 0.996 20 0 DCADMM CCO[C@@H]1C[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000919430341 665214395 /nfs/dbraw/zinc/21/43/95/665214395.db2.gz PPSZJYDRYSLRPV-CHWSQXEVSA-N -1 1 321.329 0.920 20 0 DCADMM CO[C@@H]1CCC[C@H]1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000994624012 665236324 /nfs/dbraw/zinc/23/63/24/665236324.db2.gz JYUAHVHDVWIHIX-DGCLKSJQSA-N -1 1 319.361 0.543 20 0 DCADMM CCn1nncc1CN1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001031627101 665244811 /nfs/dbraw/zinc/24/48/11/665244811.db2.gz DFNHKIGDZHGATI-UHFFFAOYSA-N -1 1 316.365 0.260 20 0 DCADMM COC(=O)[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)CC1(F)CC1 ZINC000919940077 665246417 /nfs/dbraw/zinc/24/64/17/665246417.db2.gz OJVUTABUSDNSJG-VHSXEESVSA-N -1 1 309.359 0.519 20 0 DCADMM O=S(=O)([N-][C@@H]1C[C@@H](O)C12CCOCC2)c1ccns1 ZINC000920245937 665265065 /nfs/dbraw/zinc/26/50/65/665265065.db2.gz SCGNVOPYQIDNNW-RKDXNWHRSA-N -1 1 304.393 0.351 20 0 DCADMM CO[C@]12CCC[C@@]1([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)CCO2 ZINC000921314856 665295243 /nfs/dbraw/zinc/29/52/43/665295243.db2.gz JVOOQCGUAFGDDG-RTXFEEFZSA-N -1 1 320.411 0.068 20 0 DCADMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC000921377253 665298550 /nfs/dbraw/zinc/29/85/50/665298550.db2.gz ORHDFWNRQAIPLM-UKKRHICBSA-N -1 1 323.436 0.520 20 0 DCADMM CN1CC[C@@H]1C[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000921410861 665301041 /nfs/dbraw/zinc/30/10/41/665301041.db2.gz FWTFAZQHLMDLDJ-WYRIXSBYSA-N -1 1 323.484 0.955 20 0 DCADMM CN1CC[C@H]1C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000921412411 665301511 /nfs/dbraw/zinc/30/15/11/665301511.db2.gz NIWYAGHVOFHDAJ-JEOXALJRSA-N -1 1 317.436 0.682 20 0 DCADMM Cc1cnoc1C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000938625406 665403006 /nfs/dbraw/zinc/40/30/06/665403006.db2.gz URFOETNXMVINKT-JTQLQIEISA-N -1 1 316.317 0.728 20 0 DCADMM C[C@@]1(CNC(=O)CCc2nn[n-]n2)OCCc2ccccc21 ZINC000921831261 666021188 /nfs/dbraw/zinc/02/11/88/666021188.db2.gz PJBPGFFASUTFBH-HNNXBMFYSA-N -1 1 301.350 0.737 20 0 DCADMM CNC(=O)[C@H](C)N1CCC(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001001315676 666034327 /nfs/dbraw/zinc/03/43/27/666034327.db2.gz QZPJPJWFRNDRFX-JTQLQIEISA-N -1 1 323.397 0.000 20 0 DCADMM Cn1[n-]c(CN2CC(CNC(=O)[C@]34C[C@H]3CCCC4)C2)nc1=O ZINC001031964397 666035725 /nfs/dbraw/zinc/03/57/25/666035725.db2.gz YZYUGJYEPFCLEN-MLGOLLRUSA-N -1 1 319.409 0.237 20 0 DCADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@@H]1NC(=O)C(C)(F)F ZINC000941738707 666049438 /nfs/dbraw/zinc/04/94/38/666049438.db2.gz PXVBAOMETKPVCB-BDAKNGLRSA-N -1 1 317.340 0.090 20 0 DCADMM O=C(C[C@H]1CCOC1)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001536209 666069391 /nfs/dbraw/zinc/06/93/91/666069391.db2.gz GOKGWTNTHFEIJR-LLVKDONJSA-N -1 1 319.361 0.402 20 0 DCADMM C[C@@]1(C(=O)N2CC(CNC(=O)c3ncccc3[O-])C2)CCOC1 ZINC001001542140 666070562 /nfs/dbraw/zinc/07/05/62/666070562.db2.gz RHDVEBAUXBLSPT-MRXNPFEDSA-N -1 1 319.361 0.402 20 0 DCADMM Cc1c[nH]cc1C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001546093 666071219 /nfs/dbraw/zinc/07/12/19/666071219.db2.gz QLYPMEMYLTUBCD-UHFFFAOYSA-N -1 1 314.345 0.926 20 0 DCADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ccncn1 ZINC000942252540 666138546 /nfs/dbraw/zinc/13/85/46/666138546.db2.gz UTXRPLWADMYGDH-SNVBAGLBSA-N -1 1 313.317 0.222 20 0 DCADMM Cn1ncc(S(=O)(=O)[N-]C2CSC2)c1C(F)(F)F ZINC000921870706 666147263 /nfs/dbraw/zinc/14/72/63/666147263.db2.gz RYLFVCKRDQYYIO-UHFFFAOYSA-N -1 1 301.315 0.833 20 0 DCADMM CS(C)(=O)=NS(=O)(=O)[N-]Cc1cccc2c1OCC2 ZINC000921891617 666156435 /nfs/dbraw/zinc/15/64/35/666156435.db2.gz IUCCDVRHZRSDAR-UHFFFAOYSA-N -1 1 304.393 0.684 20 0 DCADMM O=C(NCC1CN(C(=O)c2ncccc2[O-])C1)[C@]12C[C@H]1COC2 ZINC001002393303 666164806 /nfs/dbraw/zinc/16/48/06/666164806.db2.gz DTARBGTVCIJGST-ZBEGNZNMSA-N -1 1 317.345 0.012 20 0 DCADMM COC[C@@H]1COCCN1S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000922058297 666241031 /nfs/dbraw/zinc/24/10/31/666241031.db2.gz GOPPXIBBRIMIJY-SNVBAGLBSA-N -1 1 317.363 0.437 20 0 DCADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@]12C[C@H]1COC21CCC1 ZINC000922106116 666254221 /nfs/dbraw/zinc/25/42/21/666254221.db2.gz LSOUDVUMJJPVNR-NWJBQHJCSA-N -1 1 323.440 0.107 20 0 DCADMM CC[C@H](OC)C(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000943906798 666349386 /nfs/dbraw/zinc/34/93/86/666349386.db2.gz LSBWJCBMAXDUMG-YPMHNXCESA-N -1 1 321.377 0.933 20 0 DCADMM CN(C(=O)C1CCCC1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001032856471 666357572 /nfs/dbraw/zinc/35/75/72/666357572.db2.gz NMGVMRVSMPJLCF-GFCCVEGCSA-N -1 1 307.398 0.331 20 0 DCADMM O=C(NC[C@H]1CCCN1C(=O)c1ncccc1[O-])c1ccn[nH]1 ZINC000943977208 666362971 /nfs/dbraw/zinc/36/29/71/666362971.db2.gz XQFAHRRLJXRFKH-SNVBAGLBSA-N -1 1 315.333 0.545 20 0 DCADMM CC(C)(O)CC(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000943987918 666364311 /nfs/dbraw/zinc/36/43/11/666364311.db2.gz XDHPUXRBQWCPKZ-LLVKDONJSA-N -1 1 321.377 0.669 20 0 DCADMM CN(C(=O)C1CCCCC1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001032869980 666365586 /nfs/dbraw/zinc/36/55/86/666365586.db2.gz MUWWKHGSVHQSAK-ZDUSSCGKSA-N -1 1 321.425 0.721 20 0 DCADMM CC(C)[C@@H](O)C(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000943995096 666368532 /nfs/dbraw/zinc/36/85/32/666368532.db2.gz KNZGHNLNNQTQQA-BXUZGUMPSA-N -1 1 321.377 0.525 20 0 DCADMM CN(C(=O)C[C@H]1C=CCC1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001032908368 666385210 /nfs/dbraw/zinc/38/52/10/666385210.db2.gz YXEZDQTYQBCGFZ-QWHCGFSZSA-N -1 1 319.409 0.497 20 0 DCADMM CC[C@@]1(C)C[C@H]1C(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001003880195 666391897 /nfs/dbraw/zinc/39/18/97/666391897.db2.gz SDFIFTZDPRVAJE-LRDDRELGSA-N -1 1 321.425 0.625 20 0 DCADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2ncccn2)C1 ZINC001033024467 666435570 /nfs/dbraw/zinc/43/55/70/666435570.db2.gz FLILFBWCMUKXBN-LBPRGKRZSA-N -1 1 313.361 0.924 20 0 DCADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001033037235 666446460 /nfs/dbraw/zinc/44/64/60/666446460.db2.gz XTWPMQNBWPOBOZ-NEPJUHHUSA-N -1 1 318.377 0.164 20 0 DCADMM CC1(C)CN(C(=O)C[C@H]2CCCO2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000995510132 666460400 /nfs/dbraw/zinc/46/04/00/666460400.db2.gz PLWOJMLCNNJJBL-GHMZBOCLSA-N -1 1 323.397 0.406 20 0 DCADMM CC1(C)CN(C(=O)[C@@H]2CCCOC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000995541933 666482727 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ZINC001576415741 1164336768 /nfs/dbraw/zinc/33/67/68/1164336768.db2.gz BHUYWGMDOHGYNQ-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001576425160 1164339309 /nfs/dbraw/zinc/33/93/09/1164339309.db2.gz FNOAMONWPSLSGJ-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001576425160 1164339316 /nfs/dbraw/zinc/33/93/16/1164339316.db2.gz FNOAMONWPSLSGJ-VHSXEESVSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001576445127 1164347775 /nfs/dbraw/zinc/34/77/75/1164347775.db2.gz PGOHSVXNINCSPM-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001576445127 1164347782 /nfs/dbraw/zinc/34/77/82/1164347782.db2.gz PGOHSVXNINCSPM-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001576470856 1164354140 /nfs/dbraw/zinc/35/41/40/1164354140.db2.gz GTFISTQOCALYHG-JTQLQIEISA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)NC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001576471045 1164354413 /nfs/dbraw/zinc/35/44/13/1164354413.db2.gz LZVWHJOJKXWGMT-LLVKDONJSA-N -1 1 318.385 0.928 20 0 DCADMM CCC(=O)NC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001576471045 1164354419 /nfs/dbraw/zinc/35/44/19/1164354419.db2.gz LZVWHJOJKXWGMT-LLVKDONJSA-N -1 1 318.385 0.928 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576565345 1164392829 /nfs/dbraw/zinc/39/28/29/1164392829.db2.gz BUIJZLHMLPBXIJ-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H](C)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576565345 1164392835 /nfs/dbraw/zinc/39/28/35/1164392835.db2.gz BUIJZLHMLPBXIJ-NXEZZACHSA-N -1 1 316.369 0.716 20 0 DCADMM CC[C@@H](C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576573436 1164398818 /nfs/dbraw/zinc/39/88/18/1164398818.db2.gz QOYKXQIIENISBL-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@@H](C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576573436 1164398825 /nfs/dbraw/zinc/39/88/25/1164398825.db2.gz QOYKXQIIENISBL-SNVBAGLBSA-N -1 1 316.369 0.351 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576577290 1164402560 /nfs/dbraw/zinc/40/25/60/1164402560.db2.gz WCQXDAKQXWESPE-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576577290 1164402567 /nfs/dbraw/zinc/40/25/67/1164402567.db2.gz WCQXDAKQXWESPE-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)NCC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576586383 1164407182 /nfs/dbraw/zinc/40/71/82/1164407182.db2.gz XSOAZQJBSWESTC-VHSXEESVSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576939280 1164546004 /nfs/dbraw/zinc/54/60/04/1164546004.db2.gz FCPHMEMFLIGFER-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576939280 1164546012 /nfs/dbraw/zinc/54/60/12/1164546012.db2.gz FCPHMEMFLIGFER-RKDXNWHRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576952725 1164551595 /nfs/dbraw/zinc/55/15/95/1164551595.db2.gz DRHASXYUUDXUQS-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576952725 1164551602 /nfs/dbraw/zinc/55/16/02/1164551602.db2.gz DRHASXYUUDXUQS-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576951527 1164552753 /nfs/dbraw/zinc/55/27/53/1164552753.db2.gz IAQDGDWJKGOVKJ-IUCAKERBSA-N -1 1 322.348 0.133 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576966543 1164562085 /nfs/dbraw/zinc/56/20/85/1164562085.db2.gz UXRQKTUFUMVHHC-IUCAKERBSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576966543 1164562096 /nfs/dbraw/zinc/56/20/96/1164562096.db2.gz UXRQKTUFUMVHHC-IUCAKERBSA-N -1 1 320.332 0.100 20 0 DCADMM CCC1(C(=O)N(C)CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001577061600 1164595477 /nfs/dbraw/zinc/59/54/77/1164595477.db2.gz FQBHZXYDMOINCK-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCC1(C(=O)N(C)CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001577061600 1164595480 /nfs/dbraw/zinc/59/54/80/1164595480.db2.gz FQBHZXYDMOINCK-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577215669 1164638701 /nfs/dbraw/zinc/63/87/01/1164638701.db2.gz GAMODSHQHRALPN-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(CC)c1cnc(-c2nnn[n-]2)cn1 ZINC001577218782 1164640025 /nfs/dbraw/zinc/64/00/25/1164640025.db2.gz HKNGIZJOSDPBMV-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(CC)c1cnc(-c2nn[n-]n2)cn1 ZINC001577218782 1164640031 /nfs/dbraw/zinc/64/00/31/1164640031.db2.gz HKNGIZJOSDPBMV-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001577225633 1164643269 /nfs/dbraw/zinc/64/32/69/1164643269.db2.gz VZZKRCSXQJLHAZ-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001577225633 1164643272 /nfs/dbraw/zinc/64/32/72/1164643272.db2.gz VZZKRCSXQJLHAZ-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCCC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577225621 1164643961 /nfs/dbraw/zinc/64/39/61/1164643961.db2.gz VWFRLQXGHQLUMD-MGCOHNPYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577225621 1164643966 /nfs/dbraw/zinc/64/39/66/1164643966.db2.gz VWFRLQXGHQLUMD-MGCOHNPYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCCC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001577396428 1164685136 /nfs/dbraw/zinc/68/51/36/1164685136.db2.gz RLYICKUMKYNENJ-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCCCC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001577396428 1164685140 /nfs/dbraw/zinc/68/51/40/1164685140.db2.gz RLYICKUMKYNENJ-UHFFFAOYSA-N -1 1 304.358 0.717 20 0 DCADMM CCCCC(=O)NC[C@H](CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577418042 1164688125 /nfs/dbraw/zinc/68/81/25/1164688125.db2.gz ZURXYAVIFWSPAK-JTQLQIEISA-N -1 1 318.385 0.576 20 0 DCADMM O=C([N-]OCc1cn[nH]n1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC001578014422 1164894918 /nfs/dbraw/zinc/89/49/18/1164894918.db2.gz CMROOOPAHYEXHH-VIFPVBQESA-N -1 1 319.296 0.545 20 0 DCADMM CCNC(=O)[C@@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001578227748 1164957454 /nfs/dbraw/zinc/95/74/54/1164957454.db2.gz UGLYJQJNBQDGKC-SSDOTTSWSA-N -1 1 323.382 0.252 20 0 DCADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001578254144 1164964436 /nfs/dbraw/zinc/96/44/36/1164964436.db2.gz AHGRBAVBKSENFY-UHFFFAOYSA-N -1 1 316.281 0.347 20 0 DCADMM CCOC(=O)c1cnn(Cc2ccncc2F)c1-c1nn[n-]n1 ZINC001578254394 1164965739 /nfs/dbraw/zinc/96/57/39/1164965739.db2.gz NIVPIBMJKVVAOP-UHFFFAOYSA-N -1 1 317.284 0.822 20 0 DCADMM CCc1c[nH]c(CC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)n1 ZINC001578553979 1165058066 /nfs/dbraw/zinc/05/80/66/1165058066.db2.gz DXQHEAFXFMIGCA-UHFFFAOYSA-N -1 1 301.314 0.365 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCNC(=O)C2CC2)n1 ZINC001578573510 1165064453 /nfs/dbraw/zinc/06/44/53/1165064453.db2.gz YPGFOLMUOOKPLK-UHFFFAOYSA-N -1 1 316.369 0.182 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCNC(=O)C2CC2)n1 ZINC001578573510 1165064458 /nfs/dbraw/zinc/06/44/58/1165064458.db2.gz YPGFOLMUOOKPLK-UHFFFAOYSA-N -1 1 316.369 0.182 20 0 DCADMM CCc1nc(N[C@H]2CN(C(C)=O)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001578645953 1165076145 /nfs/dbraw/zinc/07/61/45/1165076145.db2.gz ZBFZCEPNTWGMKW-KCJUWKMLSA-N -1 1 316.369 0.498 20 0 DCADMM CCc1nc(N[C@H]2CN(C(C)=O)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001578645953 1165076149 /nfs/dbraw/zinc/07/61/49/1165076149.db2.gz ZBFZCEPNTWGMKW-KCJUWKMLSA-N -1 1 316.369 0.498 20 0 DCADMM CCc1nc(NC[C@@H]2CCN(C(C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001578657810 1165082031 /nfs/dbraw/zinc/08/20/31/1165082031.db2.gz SGDNPOOSAFAIBL-JTQLQIEISA-N -1 1 316.369 0.499 20 0 DCADMM CCc1nc(NC[C@@H]2CCN(C(C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001578657810 1165082038 /nfs/dbraw/zinc/08/20/38/1165082038.db2.gz SGDNPOOSAFAIBL-JTQLQIEISA-N -1 1 316.369 0.499 20 0 DCADMM CCc1ncc(Cl)c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)n1 ZINC001578685921 1165086540 /nfs/dbraw/zinc/08/65/40/1165086540.db2.gz DCKDCVPWDGONSR-UHFFFAOYSA-N -1 1 319.716 0.848 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)CCC1CC1 ZINC001579211336 1165238360 /nfs/dbraw/zinc/23/83/60/1165238360.db2.gz XILWRZSFWUIJRV-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)CCC1CC1 ZINC001579211336 1165238365 /nfs/dbraw/zinc/23/83/65/1165238365.db2.gz XILWRZSFWUIJRV-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)c1ccoc1 ZINC001579212134 1165239483 /nfs/dbraw/zinc/23/94/83/1165239483.db2.gz ZSMFUWYEYKQGQM-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)c1ccoc1 ZINC001579212134 1165239491 /nfs/dbraw/zinc/23/94/91/1165239491.db2.gz ZSMFUWYEYKQGQM-UHFFFAOYSA-N -1 1 314.309 0.434 20 0 DCADMM CN1c2ccccc2C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC001579299082 1165263400 /nfs/dbraw/zinc/26/34/00/1165263400.db2.gz XGSGDMJAARGEMT-ZDUSSCGKSA-N -1 1 321.344 0.683 20 0 DCADMM CN1c2ccccc2C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC001579299082 1165263407 /nfs/dbraw/zinc/26/34/07/1165263407.db2.gz XGSGDMJAARGEMT-ZDUSSCGKSA-N -1 1 321.344 0.683 20 0 DCADMM CNc1cnc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001579431137 1165307647 /nfs/dbraw/zinc/30/76/47/1165307647.db2.gz CBNIOSQEGFXQDU-UHFFFAOYSA-N -1 1 317.338 0.085 20 0 DCADMM CNc1cnc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001579431137 1165307654 /nfs/dbraw/zinc/30/76/54/1165307654.db2.gz CBNIOSQEGFXQDU-UHFFFAOYSA-N -1 1 317.338 0.085 20 0 DCADMM COC(=O)C[C@@H]1CCC[C@H]1Nc1ncncc1-c1nn[n-]n1 ZINC001579450853 1165314465 /nfs/dbraw/zinc/31/44/65/1165314465.db2.gz DSYJYYJPCMHYHM-WCBMZHEXSA-N -1 1 303.326 0.800 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001579469342 1165319563 /nfs/dbraw/zinc/31/95/63/1165319563.db2.gz QAVOMNXNJKFIIH-SFYZADRCSA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001579469342 1165319571 /nfs/dbraw/zinc/31/95/71/1165319571.db2.gz QAVOMNXNJKFIIH-SFYZADRCSA-N -1 1 321.362 1.000 20 0 DCADMM COC(=O)[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C1CC1 ZINC001579470499 1165321902 /nfs/dbraw/zinc/32/19/02/1165321902.db2.gz LXYYZFNYSYIZLE-VHSXEESVSA-N -1 1 315.337 0.292 20 0 DCADMM COC(=O)[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C1CC1 ZINC001579470499 1165321908 /nfs/dbraw/zinc/32/19/08/1165321908.db2.gz LXYYZFNYSYIZLE-VHSXEESVSA-N -1 1 315.337 0.292 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001579475203 1165324252 /nfs/dbraw/zinc/32/42/52/1165324252.db2.gz XMSAAEXCKUZTPA-XPTSAGLGSA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001579475203 1165324256 /nfs/dbraw/zinc/32/42/56/1165324256.db2.gz XMSAAEXCKUZTPA-XPTSAGLGSA-N -1 1 315.337 0.436 20 0 DCADMM COCc1cccc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)c1 ZINC001579835116 1165405908 /nfs/dbraw/zinc/40/59/08/1165405908.db2.gz UVMKRYVQBZXOAI-UHFFFAOYSA-N -1 1 314.305 0.324 20 0 DCADMM COCc1nnc2n1CCN(c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001579844246 1165408108 /nfs/dbraw/zinc/40/81/08/1165408108.db2.gz RARRZLFHINCDKP-UHFFFAOYSA-N -1 1 313.325 0.020 20 0 DCADMM COCc1nnc2n1CCN(c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001579844246 1165408112 /nfs/dbraw/zinc/40/81/12/1165408112.db2.gz RARRZLFHINCDKP-UHFFFAOYSA-N -1 1 313.325 0.020 20 0 DCADMM CO[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001579848998 1165410123 /nfs/dbraw/zinc/41/01/23/1165410123.db2.gz UMYRRLKEYWLZQJ-IVZWLZJFSA-N -1 1 320.357 0.093 20 0 DCADMM CO[C@@H]1CCCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001579850419 1165410878 /nfs/dbraw/zinc/41/08/78/1165410878.db2.gz RQQURTVQRWONMG-HTQZYQBOSA-N -1 1 321.341 0.036 20 0 DCADMM COc1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)nn1C ZINC001579933838 1165443619 /nfs/dbraw/zinc/44/36/19/1165443619.db2.gz WFUNMKUDSVNQGC-UHFFFAOYSA-N -1 1 315.297 0.648 20 0 DCADMM COc1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)nn1C ZINC001579933838 1165443621 /nfs/dbraw/zinc/44/36/21/1165443621.db2.gz WFUNMKUDSVNQGC-UHFFFAOYSA-N -1 1 315.297 0.648 20 0 DCADMM COc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC001579988897 1165462979 /nfs/dbraw/zinc/46/29/79/1165462979.db2.gz YKTXRDFAUAGVTP-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC001579988897 1165462983 /nfs/dbraw/zinc/46/29/83/1165462983.db2.gz YKTXRDFAUAGVTP-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1ccc(CCNC(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001579996049 1165465484 /nfs/dbraw/zinc/46/54/84/1165465484.db2.gz LNYWCHFDGMWGDH-UHFFFAOYSA-N -1 1 314.305 0.836 20 0 DCADMM COc1ccc(CCNC(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001579996049 1165465488 /nfs/dbraw/zinc/46/54/88/1165465488.db2.gz LNYWCHFDGMWGDH-UHFFFAOYSA-N -1 1 314.305 0.836 20 0 DCADMM COc1cncc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)n1 ZINC001580113173 1165507668 /nfs/dbraw/zinc/50/76/68/1165507668.db2.gz LEFLPIRYJISRAB-UHFFFAOYSA-N -1 1 318.322 0.683 20 0 DCADMM COc1cncc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)n1 ZINC001580113173 1165507675 /nfs/dbraw/zinc/50/76/75/1165507675.db2.gz LEFLPIRYJISRAB-UHFFFAOYSA-N -1 1 318.322 0.683 20 0 DCADMM C[S@](=O)CCNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001580172316 1165528369 /nfs/dbraw/zinc/52/83/69/1165528369.db2.gz SSWIUMTUIUUQCR-FQEVSTJZSA-N -1 1 314.396 0.106 20 0 DCADMM C[C@@H](CCNC(=O)CCCF)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001580244731 1165546645 /nfs/dbraw/zinc/54/66/45/1165546645.db2.gz SKHGNPFCCDDFMV-VIFPVBQESA-N -1 1 322.348 0.135 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CC1(C)C ZINC001580295456 1165561794 /nfs/dbraw/zinc/56/17/94/1165561794.db2.gz MUPXNMLLHOQQAJ-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CC1(C)C ZINC001580295456 1165561799 /nfs/dbraw/zinc/56/17/99/1165561799.db2.gz MUPXNMLLHOQQAJ-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCC1CC1 ZINC001580430310 1165601233 /nfs/dbraw/zinc/60/12/33/1165601233.db2.gz YYFHXBMILPXPQC-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCC1CC1 ZINC001580430310 1165601237 /nfs/dbraw/zinc/60/12/37/1165601237.db2.gz YYFHXBMILPXPQC-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1cccnc1 ZINC001580441015 1165603472 /nfs/dbraw/zinc/60/34/72/1165603472.db2.gz GMLBROCZWPUYJF-ZETCQYMHSA-N -1 1 314.309 0.234 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C=Cc2cnn(C)c2)nn1C ZINC001580522022 1165629443 /nfs/dbraw/zinc/62/94/43/1165629443.db2.gz IRZLPBCBWBTENL-SNAWJCMRSA-N -1 1 313.325 0.294 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C=Cc2cnn(C)c2)nn1C ZINC001580522022 1165629447 /nfs/dbraw/zinc/62/94/47/1165629447.db2.gz IRZLPBCBWBTENL-SNAWJCMRSA-N -1 1 313.325 0.294 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H](CO)C(C)C ZINC001580604298 1165653275 /nfs/dbraw/zinc/65/32/75/1165653275.db2.gz PYSHBBZWEBWAQW-VIFPVBQESA-N -1 1 320.353 0.270 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CCCOCC1 ZINC001580604023 1165653386 /nfs/dbraw/zinc/65/33/86/1165653386.db2.gz ZDKZVQJSDFFVQC-VIFPVBQESA-N -1 1 318.337 0.575 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)[C@@H]2C[C@H]2C)n1 ZINC001580639603 1165670876 /nfs/dbraw/zinc/67/08/76/1165670876.db2.gz JXZZFOWMOUIYLK-PSASIEDQSA-N -1 1 316.369 0.174 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)[C@@H]2C[C@H]2C)n1 ZINC001580639603 1165670882 /nfs/dbraw/zinc/67/08/82/1165670882.db2.gz JXZZFOWMOUIYLK-PSASIEDQSA-N -1 1 316.369 0.174 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CNC(=O)CC(C)C)n1 ZINC001580694803 1165689812 /nfs/dbraw/zinc/68/98/12/1165689812.db2.gz FIHCPFJOTAKZLJ-JTQLQIEISA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CNC(=O)CC(C)C)n1 ZINC001580694803 1165689816 /nfs/dbraw/zinc/68/98/16/1165689816.db2.gz FIHCPFJOTAKZLJ-JTQLQIEISA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)NC(=O)[C@H]2C[C@@H]2C)n1 ZINC001580749854 1165708933 /nfs/dbraw/zinc/70/89/33/1165708933.db2.gz BEPOTYYUQQPVLC-HGNGGELXSA-N -1 1 316.369 0.538 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)NC(=O)[C@H]2C[C@@H]2C)n1 ZINC001580749854 1165708940 /nfs/dbraw/zinc/70/89/40/1165708940.db2.gz BEPOTYYUQQPVLC-HGNGGELXSA-N -1 1 316.369 0.538 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnc(F)cc2C)c1-c1nn[n-]n1 ZINC001580940160 1165760203 /nfs/dbraw/zinc/76/02/03/1165760203.db2.gz OMWXUIPQLJSLMK-UHFFFAOYSA-N -1 1 302.273 0.993 20 0 DCADMM Cc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001581171160 1165792372 /nfs/dbraw/zinc/79/23/72/1165792372.db2.gz VVTXEVDBNMIMDR-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001581171160 1165792380 /nfs/dbraw/zinc/79/23/80/1165792380.db2.gz VVTXEVDBNMIMDR-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cncc3ncn(C)c32)c1-c1nn[n-]n1 ZINC001581402840 1165821030 /nfs/dbraw/zinc/82/10/30/1165821030.db2.gz MDEVQVXHULUYFP-UHFFFAOYSA-N -1 1 324.308 0.432 20 0 DCADMM Cc1nc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)nn1C ZINC001581490839 1165833904 /nfs/dbraw/zinc/83/39/04/1165833904.db2.gz YZDKRENPNUBNTI-UHFFFAOYSA-N -1 1 320.263 0.834 20 0 DCADMM Cc1nc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)nn1C ZINC001581490839 1165833909 /nfs/dbraw/zinc/83/39/09/1165833909.db2.gz YZDKRENPNUBNTI-UHFFFAOYSA-N -1 1 320.263 0.834 20 0 DCADMM Cc1ncoc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001581581574 1165845175 /nfs/dbraw/zinc/84/51/75/1165845175.db2.gz ORRVGMUNUKHFLU-UHFFFAOYSA-N -1 1 310.295 0.235 20 0 DCADMM Cc1nsc(NC(=O)N[C@@]2(C)CCOC2=O)c1-c1nnn[n-]1 ZINC001581685757 1165859982 /nfs/dbraw/zinc/85/99/82/1165859982.db2.gz RLDRGUKHUDGTAB-NSHDSACASA-N -1 1 323.338 0.459 20 0 DCADMM Cc1nsc(NC(=O)N[C@@]2(C)CCOC2=O)c1-c1nn[n-]n1 ZINC001581685757 1165859985 /nfs/dbraw/zinc/85/99/85/1165859985.db2.gz RLDRGUKHUDGTAB-NSHDSACASA-N -1 1 323.338 0.459 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](CO)c1cccnc1 ZINC001581726998 1165862187 /nfs/dbraw/zinc/86/21/87/1165862187.db2.gz DYZNIVKLGNWHFL-LLVKDONJSA-N -1 1 314.305 0.627 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](CO)c1cccnc1 ZINC001581726998 1165862200 /nfs/dbraw/zinc/86/22/00/1165862200.db2.gz DYZNIVKLGNWHFL-LLVKDONJSA-N -1 1 314.305 0.627 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCc3n[nH]cc32)n1 ZINC001581754192 1165867393 /nfs/dbraw/zinc/86/73/93/1165867393.db2.gz KJOJIYSYIXRYPV-UHFFFAOYSA-N -1 1 314.313 0.308 20 0 DCADMM Cn1ccc(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001581791847 1165877904 /nfs/dbraw/zinc/87/79/04/1165877904.db2.gz PDIWUDUNPVULEX-UHFFFAOYSA-N -1 1 324.391 0.745 20 0 DCADMM Cn1ncc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)n1 ZINC001581832668 1165882612 /nfs/dbraw/zinc/88/26/12/1165882612.db2.gz OVPPKSOIOOAWOR-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM Cn1ncc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)n1 ZINC001581832668 1165882619 /nfs/dbraw/zinc/88/26/19/1165882619.db2.gz OVPPKSOIOOAWOR-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM Cn1nncc1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001581850320 1165887289 /nfs/dbraw/zinc/88/72/89/1165887289.db2.gz XYFIHDVNOIWHRI-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM Cn1nncc1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001581850320 1165887293 /nfs/dbraw/zinc/88/72/93/1165887293.db2.gz XYFIHDVNOIWHRI-UHFFFAOYSA-N -1 1 320.263 0.203 20 0 DCADMM O=C(CCCn1ccccc1=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582050268 1165944555 /nfs/dbraw/zinc/94/45/55/1165944555.db2.gz OQARCNFAEPKLCG-UHFFFAOYSA-N -1 1 314.309 0.170 20 0 DCADMM O=C(CCCn1ccccc1=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582050268 1165944558 /nfs/dbraw/zinc/94/45/58/1165944558.db2.gz OQARCNFAEPKLCG-UHFFFAOYSA-N -1 1 314.309 0.170 20 0 DCADMM O=C(COC[C@H]1CCCO1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582125854 1165962042 /nfs/dbraw/zinc/96/20/42/1165962042.db2.gz AQFILHSOTRRLLI-LLVKDONJSA-N -1 1 318.337 0.074 20 0 DCADMM O=C(COC[C@H]1CCCO1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582125854 1165962049 /nfs/dbraw/zinc/96/20/49/1165962049.db2.gz AQFILHSOTRRLLI-LLVKDONJSA-N -1 1 318.337 0.074 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCOc2ccncc21 ZINC001582137734 1165966508 /nfs/dbraw/zinc/96/65/08/1165966508.db2.gz JQUSLJIAFXVRQA-UHFFFAOYSA-N -1 1 323.316 0.625 20 0 DCADMM O=C(Cc1cn2ccccc2n1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582168524 1165975932 /nfs/dbraw/zinc/97/59/32/1165975932.db2.gz AMNMEPPPLBUFOW-UHFFFAOYSA-N -1 1 309.293 0.419 20 0 DCADMM O=C(Cc1cn2ccccc2n1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582168524 1165975937 /nfs/dbraw/zinc/97/59/37/1165975937.db2.gz AMNMEPPPLBUFOW-UHFFFAOYSA-N -1 1 309.293 0.419 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC001582197933 1165981200 /nfs/dbraw/zinc/98/12/00/1165981200.db2.gz FYLICDMEOXIMGU-QWRGUYRKSA-N -1 1 316.369 0.639 20 0 DCADMM O=C(N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)C1CC1 ZINC001582229838 1165986994 /nfs/dbraw/zinc/98/69/94/1165986994.db2.gz QQVHKOLCJQBEGL-JTQLQIEISA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)C1CC1 ZINC001582229838 1165986999 /nfs/dbraw/zinc/98/69/99/1165986999.db2.gz QQVHKOLCJQBEGL-JTQLQIEISA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)c1ccc(-c2nn[nH]n2)s1 ZINC001582246124 1165991552 /nfs/dbraw/zinc/99/15/52/1165991552.db2.gz FSJWGXDNPWQAIP-UHFFFAOYSA-N -1 1 317.338 0.251 20 0 DCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001582460130 1166022654 /nfs/dbraw/zinc/02/26/54/1166022654.db2.gz ZJSOBUNJZBCVRV-VIFPVBQESA-N -1 1 314.353 0.009 20 0 DCADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001582460130 1166022660 /nfs/dbraw/zinc/02/26/60/1166022660.db2.gz ZJSOBUNJZBCVRV-VIFPVBQESA-N -1 1 314.353 0.009 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCc2cncn2C1 ZINC001582554206 1166042050 /nfs/dbraw/zinc/04/20/50/1166042050.db2.gz AYNBCOGXPQMNBZ-NSHDSACASA-N -1 1 324.348 0.337 20 0 DCADMM O=C(NCc1nc2c([nH]1)CCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001582561314 1166046783 /nfs/dbraw/zinc/04/67/83/1166046783.db2.gz ZAEWZICLBGWTCM-UHFFFAOYSA-N -1 1 313.321 0.992 20 0 DCADMM O=C(NCc1nc2c([nH]1)CCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001582561314 1166046790 /nfs/dbraw/zinc/04/67/90/1166046790.db2.gz ZAEWZICLBGWTCM-UHFFFAOYSA-N -1 1 313.321 0.992 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ns[nH]c1=O ZINC001582629322 1166054981 /nfs/dbraw/zinc/05/49/81/1166054981.db2.gz IOJILRUJWKOJJW-UHFFFAOYSA-N -1 1 319.310 0.277 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CCO[C@H]1C1CC1 ZINC001582648110 1166060515 /nfs/dbraw/zinc/06/05/15/1166060515.db2.gz OHLUJCZFXOGQNI-PWSUYJOCSA-N -1 1 315.337 0.951 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CCO[C@H]1C1CC1 ZINC001582648110 1166060518 /nfs/dbraw/zinc/06/05/18/1166060518.db2.gz OHLUJCZFXOGQNI-PWSUYJOCSA-N -1 1 315.337 0.951 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001582741898 1166072044 /nfs/dbraw/zinc/07/20/44/1166072044.db2.gz MBYVEHODRUBSHX-ZETCQYMHSA-N -1 1 315.293 0.518 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001582741898 1166072049 /nfs/dbraw/zinc/07/20/49/1166072049.db2.gz MBYVEHODRUBSHX-ZETCQYMHSA-N -1 1 315.293 0.518 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCN2CCOC[C@@H]2C1 ZINC001582744685 1166073763 /nfs/dbraw/zinc/07/37/63/1166073763.db2.gz CVRRYMQKSPDWDE-JTQLQIEISA-N -1 1 320.378 0.085 20 0 DCADMM O=C(c1ncccn1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001582752171 1166075902 /nfs/dbraw/zinc/07/59/02/1166075902.db2.gz LBACNRNNMQNIJM-UHFFFAOYSA-N -1 1 308.305 0.645 20 0 DCADMM O=C1CN(c2cncc(-c3nnn[n-]3)n2)CN1Cc1ccccc1 ZINC001582777022 1166079280 /nfs/dbraw/zinc/07/92/80/1166079280.db2.gz BGWZZYJMBSDSJD-UHFFFAOYSA-N -1 1 322.332 0.463 20 0 DCADMM O=C1CN(c2cncc(-c3nn[n-]n3)n2)CN1Cc1ccccc1 ZINC001582777022 1166079285 /nfs/dbraw/zinc/07/92/85/1166079285.db2.gz BGWZZYJMBSDSJD-UHFFFAOYSA-N -1 1 322.332 0.463 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001582806748 1166086544 /nfs/dbraw/zinc/08/65/44/1166086544.db2.gz IPKHVDKPOGFEEJ-DOMZBBRYSA-N -1 1 317.349 0.757 20 0 DCADMM O[C@H](CNc1ccnc(-c2nn[n-]n2)n1)Cc1ccccc1F ZINC001582809726 1166088524 /nfs/dbraw/zinc/08/85/24/1166088524.db2.gz NXSKPVWWWFIRNS-JTQLQIEISA-N -1 1 315.312 0.233 20 0 DCADMM 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1 316.365 0.424 20 0 DCADMM C[C@H](O)CN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@@H](C)CO ZINC001590001543 1166747905 /nfs/dbraw/zinc/74/79/05/1166747905.db2.gz YEBVADVZZFRUBA-YUMQZZPRSA-N -1 1 311.367 0.132 20 0 DCADMM CC1(C)C(=O)NCCN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590073522 1166766114 /nfs/dbraw/zinc/76/61/14/1166766114.db2.gz SSEUXNFBFSRHAJ-UHFFFAOYSA-N -1 1 306.351 0.279 20 0 DCADMM CC1(C)C(=O)NCCN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590073522 1166766117 /nfs/dbraw/zinc/76/61/17/1166766117.db2.gz SSEUXNFBFSRHAJ-UHFFFAOYSA-N -1 1 306.351 0.279 20 0 DCADMM CC1(C)C[C@@H](O)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590085565 1166770258 /nfs/dbraw/zinc/77/02/58/1166770258.db2.gz SQSGVKZBRGPZCS-SNVBAGLBSA-N -1 1 302.338 0.495 20 0 DCADMM CC1(C)C[C@@H](O)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590085565 1166770265 /nfs/dbraw/zinc/77/02/65/1166770265.db2.gz SQSGVKZBRGPZCS-SNVBAGLBSA-N -1 1 302.338 0.495 20 0 DCADMM CC1(C)CC[C@@H](CO)N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590090225 1166770869 /nfs/dbraw/zinc/77/08/69/1166770869.db2.gz FQWOAHMQUHQYBB-NSHDSACASA-N -1 1 316.365 0.885 20 0 DCADMM CC1(C)CC[C@@H](CO)N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590090225 1166770873 /nfs/dbraw/zinc/77/08/73/1166770873.db2.gz FQWOAHMQUHQYBB-NSHDSACASA-N -1 1 316.365 0.885 20 0 DCADMM CC1(C)C[C@@H](Nc2ncncc2-c2nn[n-]n2)CCS1(=O)=O ZINC001590084020 1166771788 /nfs/dbraw/zinc/77/17/88/1166771788.db2.gz SIXDVQNDXNHFHQ-QMMMGPOBSA-N -1 1 323.382 0.424 20 0 DCADMM CC1(C)CNC(=O)[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001590108917 1166773833 /nfs/dbraw/zinc/77/38/33/1166773833.db2.gz AQCMEXBWCNXVDO-YFKPBYRVSA-N -1 1 313.774 0.913 20 0 DCADMM CC1(C)CNC(=O)[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001590108917 1166773840 /nfs/dbraw/zinc/77/38/40/1166773840.db2.gz AQCMEXBWCNXVDO-YFKPBYRVSA-N -1 1 313.774 0.913 20 0 DCADMM C[C@H]1CC(F)(F)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590190672 1166804047 /nfs/dbraw/zinc/80/40/47/1166804047.db2.gz BNBKHVHWJAADPL-ZETCQYMHSA-N -1 1 312.284 0.104 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001590201326 1166810104 /nfs/dbraw/zinc/81/01/04/1166810104.db2.gz ATMKNTHDHGIYPD-ILWJIGKKSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001590201326 1166810113 /nfs/dbraw/zinc/81/01/13/1166810113.db2.gz ATMKNTHDHGIYPD-ILWJIGKKSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@H]1C[C@@H](NCc2nc(-c3nnn[n-]3)cs2)c2ncnn21 ZINC001590206052 1166811980 /nfs/dbraw/zinc/81/19/80/1166811980.db2.gz SKKXLFXUHMNNTQ-NKWVEPMBSA-N -1 1 303.355 0.710 20 0 DCADMM C[C@H]1C[C@@H](NCc2nc(-c3nn[n-]n3)cs2)c2ncnn21 ZINC001590206052 1166811991 /nfs/dbraw/zinc/81/19/91/1166811991.db2.gz SKKXLFXUHMNNTQ-NKWVEPMBSA-N -1 1 303.355 0.710 20 0 DCADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)O1 ZINC001590207172 1166813405 /nfs/dbraw/zinc/81/34/05/1166813405.db2.gz PTJPQVGLGJJMQU-VHSKPIJISA-N -1 1 324.366 0.106 20 0 DCADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)O1 ZINC001590207172 1166813416 /nfs/dbraw/zinc/81/34/16/1166813416.db2.gz PTJPQVGLGJJMQU-VHSKPIJISA-N -1 1 324.366 0.106 20 0 DCADMM C[C@@H]1C[C@]2(CC[C@@H](CNc3nccnc3-c3nnn[n-]3)O2)CO1 ZINC001590219484 1166817671 /nfs/dbraw/zinc/81/76/71/1166817671.db2.gz LLJWEPNQBUDZRO-ISTVAULSSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1C[C@]2(CC[C@@H](CNc3nccnc3-c3nn[n-]n3)O2)CO1 ZINC001590219484 1166817677 /nfs/dbraw/zinc/81/76/77/1166817677.db2.gz LLJWEPNQBUDZRO-ISTVAULSSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1CC2(CC(NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)CO1 ZINC001590221783 1166817816 /nfs/dbraw/zinc/81/78/16/1166817816.db2.gz HMXXRDOVZMMSCZ-IWPPJYEWSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@@H]1CC2(CC(NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)CO1 ZINC001590221783 1166817822 /nfs/dbraw/zinc/81/78/22/1166817822.db2.gz HMXXRDOVZMMSCZ-IWPPJYEWSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@@H]1C[C@]2(CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)O2)CO1 ZINC001590220952 1166818304 /nfs/dbraw/zinc/81/83/04/1166818304.db2.gz SPPISSLMQGYBEE-GPCCPHFNSA-N -1 1 317.353 0.217 20 0 DCADMM CC1CCC(N(C)c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CC1 ZINC001590231235 1166821727 /nfs/dbraw/zinc/82/17/27/1166821727.db2.gz RKMMTLVQBMWFDX-UHFFFAOYSA-N -1 1 319.369 0.269 20 0 DCADMM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccncc1-c1nn[nH]n1 ZINC001590225415 1166821752 /nfs/dbraw/zinc/82/17/52/1166821752.db2.gz DONBKPXIHOKIRB-MWLCHTKSSA-N -1 1 302.338 0.947 20 0 DCADMM C[C@H]1CC[C@H](NS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590236864 1166823786 /nfs/dbraw/zinc/82/37/86/1166823786.db2.gz NJECHLWUWDLYIU-IUCAKERBSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@@H]1CC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@@H]1C ZINC001590239290 1166824890 /nfs/dbraw/zinc/82/48/90/1166824890.db2.gz XYHVBRFLRXFPCG-HRDYMLBCSA-N -1 1 319.369 0.903 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590253777 1166825801 /nfs/dbraw/zinc/82/58/01/1166825801.db2.gz JDUWKTDOKJFEPX-KXUCPTDWSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@@H]1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001590243347 1166826585 /nfs/dbraw/zinc/82/65/85/1166826585.db2.gz KILUPHCANFOPBE-KXUCPTDWSA-N -1 1 304.358 0.399 20 0 DCADMM C[C@@H](C(=O)NC[C@H]1CCC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590246140 1166826843 /nfs/dbraw/zinc/82/68/43/1166826843.db2.gz BTMUWKJKILPNLL-KXUCPTDWSA-N -1 1 304.358 0.572 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1CO ZINC001590268367 1166830945 /nfs/dbraw/zinc/83/09/45/1166830945.db2.gz WVRUMXVDIQRICR-WCBMZHEXSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1CO ZINC001590268367 1166830952 /nfs/dbraw/zinc/83/09/52/1166830952.db2.gz WVRUMXVDIQRICR-WCBMZHEXSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@@H](C)C1O ZINC001590292727 1166843120 /nfs/dbraw/zinc/84/31/20/1166843120.db2.gz OYVXIEMLHMHPKA-NXEZZACHSA-N -1 1 316.365 0.280 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@@H](C)C1O ZINC001590292727 1166843121 /nfs/dbraw/zinc/84/31/21/1166843121.db2.gz OYVXIEMLHMHPKA-NXEZZACHSA-N -1 1 316.365 0.280 20 0 DCADMM C[C@H]1CN(CCNC(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC001590304739 1166851281 /nfs/dbraw/zinc/85/12/81/1166851281.db2.gz OYRQIUWHRKYDMF-UWVGGRQHSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@H]1CN(CCNC(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](C)CO1 ZINC001590304739 1166851285 /nfs/dbraw/zinc/85/12/85/1166851285.db2.gz OYRQIUWHRKYDMF-UWVGGRQHSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590304741 1166852025 /nfs/dbraw/zinc/85/20/25/1166852025.db2.gz OYRQIUWHRKYDMF-ZJUUUORDSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590304741 1166852032 /nfs/dbraw/zinc/85/20/32/1166852032.db2.gz OYRQIUWHRKYDMF-ZJUUUORDSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)C[C@@]2(CCOC2)O1 ZINC001590313921 1166857522 /nfs/dbraw/zinc/85/75/22/1166857522.db2.gz PAWHIIIEPMTMLO-NOZJJQNGSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)C[C@@]2(CCOC2)O1 ZINC001590313921 1166857525 /nfs/dbraw/zinc/85/75/25/1166857525.db2.gz PAWHIIIEPMTMLO-NOZJJQNGSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC(=O)N1C ZINC001590314225 1166859887 /nfs/dbraw/zinc/85/98/87/1166859887.db2.gz AHSATTZCRYOVBO-RXMQYKEDSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H](C)S1(=O)=O ZINC001590315467 1166861364 /nfs/dbraw/zinc/86/13/64/1166861364.db2.gz MKBJZERFSVPLKI-RKDXNWHRSA-N -1 1 308.367 0.274 20 0 DCADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H](C)S1(=O)=O ZINC001590315467 1166861368 /nfs/dbraw/zinc/86/13/68/1166861368.db2.gz MKBJZERFSVPLKI-RKDXNWHRSA-N -1 1 308.367 0.274 20 0 DCADMM C[C@H]1Cc2n[nH]cc2CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590326289 1166867261 /nfs/dbraw/zinc/86/72/61/1166867261.db2.gz HPECTWQNUOESNP-VIFPVBQESA-N -1 1 324.348 0.819 20 0 DCADMM C[C@@H]1Cc2ccccc2N1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590331717 1166869210 /nfs/dbraw/zinc/86/92/10/1166869210.db2.gz RCSMMIFKEHQHEM-LLVKDONJSA-N -1 1 322.376 0.942 20 0 DCADMM C[C@@H]1OCC[C@]1(O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590333100 1166870583 /nfs/dbraw/zinc/87/05/83/1166870583.db2.gz BZMXLSCAJMQSEB-MADCSZMMSA-N -1 1 310.745 0.867 20 0 DCADMM C[C@@H]1OCC[C@]1(O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590333100 1166870592 /nfs/dbraw/zinc/87/05/92/1166870592.db2.gz BZMXLSCAJMQSEB-MADCSZMMSA-N -1 1 310.745 0.867 20 0 DCADMM C[C@H]1OCC[C@@]1(C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590335089 1166872865 /nfs/dbraw/zinc/87/28/65/1166872865.db2.gz UCBXUTOLKRTBDR-JMCQJSRRSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@H]1OCC[C@@]1(C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590335089 1166872870 /nfs/dbraw/zinc/87/28/70/1166872870.db2.gz UCBXUTOLKRTBDR-JMCQJSRRSA-N -1 1 306.330 0.289 20 0 DCADMM C/C=C(/C)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590341419 1166875547 /nfs/dbraw/zinc/87/55/47/1166875547.db2.gz GJKVHNKPRNAGPR-BNFOFFDWSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(/C)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590341419 1166875558 /nfs/dbraw/zinc/87/55/58/1166875558.db2.gz GJKVHNKPRNAGPR-BNFOFFDWSA-N -1 1 314.353 0.636 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001590361150 1166885473 /nfs/dbraw/zinc/88/54/73/1166885473.db2.gz VSZJGASPWRGWQA-JTQLQIEISA-N -1 1 301.354 0.415 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001590361150 1166885483 /nfs/dbraw/zinc/88/54/83/1166885483.db2.gz VSZJGASPWRGWQA-JTQLQIEISA-N -1 1 301.354 0.415 20 0 DCADMM CCC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590365386 1166890633 /nfs/dbraw/zinc/89/06/33/1166890633.db2.gz IWVFJFVSOLEWPP-KYZUINATSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590365386 1166890637 /nfs/dbraw/zinc/89/06/37/1166890637.db2.gz IWVFJFVSOLEWPP-KYZUINATSA-N -1 1 302.342 0.373 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)OC ZINC001590399738 1166896444 /nfs/dbraw/zinc/89/64/44/1166896444.db2.gz IJCAMJTVZNTBAU-OIBJUYFYSA-N -1 1 307.310 0.777 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)OC ZINC001590399738 1166896451 /nfs/dbraw/zinc/89/64/51/1166896451.db2.gz IJCAMJTVZNTBAU-OIBJUYFYSA-N -1 1 307.310 0.777 20 0 DCADMM CC/C(C)=C/C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590395426 1166898692 /nfs/dbraw/zinc/89/86/92/1166898692.db2.gz ZMNLCRIZPHAVKR-TTZKWOQHSA-N -1 1 316.369 0.352 20 0 DCADMM CC[C@@H](C)N(OC)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590412669 1166900635 /nfs/dbraw/zinc/90/06/35/1166900635.db2.gz QUOXKTMUFKEVKD-SSDOTTSWSA-N -1 1 301.328 0.810 20 0 DCADMM CC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)[C@H]1CC1(C)C ZINC001590472031 1166917247 /nfs/dbraw/zinc/91/72/47/1166917247.db2.gz QILXMDSAEJYPKO-SFYZADRCSA-N -1 1 319.369 0.903 20 0 DCADMM CC[C@@H]1CC[C@@H](C)N1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590504477 1166928145 /nfs/dbraw/zinc/92/81/45/1166928145.db2.gz GEVDSECWAJVZDC-NXEZZACHSA-N -1 1 319.373 0.431 20 0 DCADMM CC[C@H]1CC[C@H](C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)O1 ZINC001590505058 1166929355 /nfs/dbraw/zinc/92/93/55/1166929355.db2.gz PFJDYJHDMYIPNH-DTWKUNHWSA-N -1 1 305.342 0.805 20 0 DCADMM CC[C@H]1CC[C@H](C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)O1 ZINC001590505058 1166929361 /nfs/dbraw/zinc/92/93/61/1166929361.db2.gz PFJDYJHDMYIPNH-DTWKUNHWSA-N -1 1 305.342 0.805 20 0 DCADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590525621 1166934364 /nfs/dbraw/zinc/93/43/64/1166934364.db2.gz XEVMKRUDXSAMJI-GXSJLCMTSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590525621 1166934373 /nfs/dbraw/zinc/93/43/73/1166934373.db2.gz XEVMKRUDXSAMJI-GXSJLCMTSA-N -1 1 302.338 0.901 20 0 DCADMM CC/C=C(\C)C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590536172 1166937830 /nfs/dbraw/zinc/93/78/30/1166937830.db2.gz WOCZTIAYWFFQJD-NAZIUFLLSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C=C(\C)C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590536172 1166937832 /nfs/dbraw/zinc/93/78/32/1166937832.db2.gz WOCZTIAYWFFQJD-NAZIUFLLSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C=C(\C)C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001590534912 1166937871 /nfs/dbraw/zinc/93/78/71/1166937871.db2.gz MDBUSDLXDQCIQN-BJMVGYQFSA-N -1 1 316.369 0.931 20 0 DCADMM CC/C=C(\C)C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001590534912 1166937878 /nfs/dbraw/zinc/93/78/78/1166937878.db2.gz MDBUSDLXDQCIQN-BJMVGYQFSA-N -1 1 316.369 0.931 20 0 DCADMM CCCC(=O)NCCN(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001590538125 1166938789 /nfs/dbraw/zinc/93/87/89/1166938789.db2.gz ZAHOGNXIBLRUKF-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCCC(=O)NCCN(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001590538125 1166938793 /nfs/dbraw/zinc/93/87/93/1166938793.db2.gz ZAHOGNXIBLRUKF-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCC[C@@](C)(CO)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001590543320 1166939168 /nfs/dbraw/zinc/93/91/68/1166939168.db2.gz OXLURJWBTYISPH-ZDUSSCGKSA-N -1 1 308.342 0.373 20 0 DCADMM CCC[C@@](C)(CO)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 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CO[C@H]1CN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)CC[C@H]1C ZINC001591363083 1167235772 /nfs/dbraw/zinc/23/57/72/1167235772.db2.gz SINMBZXFTHPXRE-PWSUYJOCSA-N -1 1 318.381 0.651 20 0 DCADMM COCC1(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001591388422 1167258748 /nfs/dbraw/zinc/25/87/48/1167258748.db2.gz CVUPBNDXTNMYKQ-UHFFFAOYSA-N -1 1 302.338 0.490 20 0 DCADMM COCC1(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001591388422 1167258749 /nfs/dbraw/zinc/25/87/49/1167258749.db2.gz CVUPBNDXTNMYKQ-UHFFFAOYSA-N -1 1 302.338 0.490 20 0 DCADMM COC[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591393470 1167260175 /nfs/dbraw/zinc/26/01/75/1167260175.db2.gz DBOWYIGFLGKYRX-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM COC[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591393470 1167260178 /nfs/dbraw/zinc/26/01/78/1167260178.db2.gz DBOWYIGFLGKYRX-VIFPVBQESA-N -1 1 303.326 0.904 20 0 DCADMM COC[C@@H]1CCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591393930 1167261392 /nfs/dbraw/zinc/26/13/92/1167261392.db2.gz 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/nfs/dbraw/zinc/28/29/85/1167282985.db2.gz IQMIKKWGVXIBBF-SNVBAGLBSA-N -1 1 305.342 0.289 20 0 DCADMM COCCO[C@H]1CCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001591433409 1167283203 /nfs/dbraw/zinc/28/32/03/1167283203.db2.gz DXYPNXXDYVDDNX-VIFPVBQESA-N -1 1 310.383 0.561 20 0 DCADMM COCCO[C@H]1CCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001591433409 1167283209 /nfs/dbraw/zinc/28/32/09/1167283209.db2.gz DXYPNXXDYVDDNX-VIFPVBQESA-N -1 1 310.383 0.561 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1ncnn1C(C)C ZINC001591474528 1167304132 /nfs/dbraw/zinc/30/41/32/1167304132.db2.gz BXSCJLJCARCSCM-UHFFFAOYSA-N -1 1 316.325 0.258 20 0 DCADMM COc1ccc(CCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001591585211 1167332316 /nfs/dbraw/zinc/33/23/16/1167332316.db2.gz LSQZSAUXKQWEDS-UHFFFAOYSA-N -1 1 313.321 0.927 20 0 DCADMM COc1ccc(N(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001591606542 1167339095 /nfs/dbraw/zinc/33/90/95/1167339095.db2.gz LATMSAULBHGGDT-UHFFFAOYSA-N -1 1 311.305 0.942 20 0 DCADMM COc1ccc(N(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001591606542 1167339099 /nfs/dbraw/zinc/33/90/99/1167339099.db2.gz LATMSAULBHGGDT-UHFFFAOYSA-N -1 1 311.305 0.942 20 0 DCADMM COc1ncc(NC(=O)[C@H](O)C2CCC2)cc1-c1nn[n-]n1 ZINC001591664135 1167344324 /nfs/dbraw/zinc/34/43/24/1167344324.db2.gz HXMYOTKMOVZMIT-SNVBAGLBSA-N -1 1 304.310 0.370 20 0 DCADMM COc1ncc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1-c1nn[n-]n1 ZINC001591667400 1167346476 /nfs/dbraw/zinc/34/64/76/1167346476.db2.gz ITYYGYDZRLZIQQ-KKZNHRDASA-N -1 1 316.321 0.776 20 0 DCADMM CS(=O)(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001591677874 1167351958 /nfs/dbraw/zinc/35/19/58/1167351958.db2.gz BTIUMWAGAHKDEG-UHFFFAOYSA-N -1 1 314.396 0.010 20 0 DCADMM CS[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001591689539 1167354563 /nfs/dbraw/zinc/35/45/63/1167354563.db2.gz KKENBZAZLKMSGC-QMMMGPOBSA-N -1 1 324.414 0.352 20 0 DCADMM CSCCCSc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001591699820 1167358878 /nfs/dbraw/zinc/35/88/78/1167358878.db2.gz MHUBKOUFLLNYID-UHFFFAOYSA-N -1 1 314.396 0.099 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C[C@H]2CCCOC2)nn1C ZINC001591800411 1167384369 /nfs/dbraw/zinc/38/43/69/1167384369.db2.gz YYBYLHGWKOIBND-SECBINFHSA-N -1 1 305.342 0.664 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C[C@H]2CCCOC2)nn1C ZINC001591800411 1167384374 /nfs/dbraw/zinc/38/43/74/1167384374.db2.gz YYBYLHGWKOIBND-SECBINFHSA-N -1 1 305.342 0.664 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)Cc1ccon1 ZINC001591835119 1167389678 /nfs/dbraw/zinc/38/96/78/1167389678.db2.gz GVRHLZVFACZRSP-UHFFFAOYSA-N -1 1 315.293 0.536 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@]1(C)CCOC1 ZINC001591834911 1167390798 /nfs/dbraw/zinc/39/07/98/1167390798.db2.gz XCYJEOPNIVOBSJ-ZDUSSCGKSA-N -1 1 304.310 0.185 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NOCC(F)F ZINC001591835302 1167391000 /nfs/dbraw/zinc/39/10/00/1167391000.db2.gz FAPZOGBMPMHCSF-UHFFFAOYSA-N -1 1 300.225 0.202 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCC(=O)N(C)C2)n1 ZINC001591882142 1167408447 /nfs/dbraw/zinc/40/84/47/1167408447.db2.gz FODJXRSFLSTEBX-VIFPVBQESA-N -1 1 302.342 0.022 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCC(=O)N(C)C2)n1 ZINC001591882142 1167408450 /nfs/dbraw/zinc/40/84/50/1167408450.db2.gz FODJXRSFLSTEBX-VIFPVBQESA-N -1 1 302.342 0.022 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@H](C(=O)C3CC3)C2)n1 ZINC001591889174 1167411030 /nfs/dbraw/zinc/41/10/30/1167411030.db2.gz ZOAXXMHDJMWKGE-LLVKDONJSA-N -1 1 315.337 0.149 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@H](C(=O)C3CC3)C2)n1 ZINC001591889174 1167411039 /nfs/dbraw/zinc/41/10/39/1167411039.db2.gz ZOAXXMHDJMWKGE-LLVKDONJSA-N -1 1 315.337 0.149 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)[C@@H]2CC2(F)F)n1 ZINC001591899973 1167415511 /nfs/dbraw/zinc/41/55/11/1167415511.db2.gz GHORJBSWAZMSBG-ZETCQYMHSA-N -1 1 324.295 0.148 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)[C@@H]2CC2(F)F)n1 ZINC001591899973 1167415516 /nfs/dbraw/zinc/41/55/16/1167415516.db2.gz GHORJBSWAZMSBG-ZETCQYMHSA-N -1 1 324.295 0.148 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)NC(=O)C2CC2)n1 ZINC001591900450 1167416738 /nfs/dbraw/zinc/41/67/38/1167416738.db2.gz HZQBLVPKOGFVPD-QMMMGPOBSA-N -1 1 302.342 0.292 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)NC(=O)C2CC2)n1 ZINC001591900450 1167416743 /nfs/dbraw/zinc/41/67/43/1167416743.db2.gz HZQBLVPKOGFVPD-QMMMGPOBSA-N -1 1 302.342 0.292 20 0 DCADMM Cc1cc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)ncn1 ZINC001592007108 1167432721 /nfs/dbraw/zinc/43/27/21/1167432721.db2.gz IRSWDLGSFWJMSX-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1cc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)ncn1 ZINC001592007108 1167432724 /nfs/dbraw/zinc/43/27/24/1167432724.db2.gz IRSWDLGSFWJMSX-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1cc(NC[C@@H](CO)[C@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592042026 1167445120 /nfs/dbraw/zinc/44/51/20/1167445120.db2.gz SNCYCHABCYVKJE-QWRGUYRKSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(NC[C@@H](CO)[C@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592042026 1167445122 /nfs/dbraw/zinc/44/51/22/1167445122.db2.gz SNCYCHABCYVKJE-QWRGUYRKSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1ccc(NCC(=O)NCC(F)(F)F)nc1-c1nnn[n-]1 ZINC001592184897 1167473793 /nfs/dbraw/zinc/47/37/93/1167473793.db2.gz YEFWLGLZZWMUOS-UHFFFAOYSA-N -1 1 315.259 0.661 20 0 DCADMM Cc1ccc(NCC(=O)NCC(F)(F)F)nc1-c1nn[n-]n1 ZINC001592184897 1167473798 /nfs/dbraw/zinc/47/37/98/1167473798.db2.gz YEFWLGLZZWMUOS-UHFFFAOYSA-N -1 1 315.259 0.661 20 0 DCADMM Cc1ccc(NCCN2C(=O)CCC2=O)c(-c2nnn[n-]2)n1 ZINC001592185550 1167474058 /nfs/dbraw/zinc/47/40/58/1167474058.db2.gz CMDASPPLFXAIFM-UHFFFAOYSA-N -1 1 301.310 0.131 20 0 DCADMM Cc1ccc(NCCN2C(=O)CCC2=O)c(-c2nn[n-]n2)n1 ZINC001592185550 1167474062 /nfs/dbraw/zinc/47/40/62/1167474062.db2.gz CMDASPPLFXAIFM-UHFFFAOYSA-N -1 1 301.310 0.131 20 0 DCADMM Cc1c[nH]c(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)n1 ZINC001592293746 1167484224 /nfs/dbraw/zinc/48/42/24/1167484224.db2.gz KYSKIVHRYSJLTM-UHFFFAOYSA-N -1 1 300.282 0.560 20 0 DCADMM Cc1cnn(C)c1C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001592302863 1167487422 /nfs/dbraw/zinc/48/74/22/1167487422.db2.gz RSSSOXNXCOIYKY-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1cnn(C)c1C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001592302863 1167487425 /nfs/dbraw/zinc/48/74/25/1167487425.db2.gz RSSSOXNXCOIYKY-UHFFFAOYSA-N -1 1 301.314 0.203 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC001592338795 1167493312 /nfs/dbraw/zinc/49/33/12/1167493312.db2.gz NTZWPISIICZHKH-SECBINFHSA-N -1 1 302.342 0.022 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC001592338795 1167493315 /nfs/dbraw/zinc/49/33/15/1167493315.db2.gz NTZWPISIICZHKH-SECBINFHSA-N -1 1 302.342 0.022 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)CCNC(=O)C(C)C)n1 ZINC001592338521 1167493991 /nfs/dbraw/zinc/49/39/91/1167493991.db2.gz FBKGOQBFLJEQLK-UHFFFAOYSA-N -1 1 304.358 0.174 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)CCNC(=O)C(C)C)n1 ZINC001592338521 1167493994 /nfs/dbraw/zinc/49/39/94/1167493994.db2.gz FBKGOQBFLJEQLK-UHFFFAOYSA-N -1 1 304.358 0.174 20 0 DCADMM Cc1nc(C)c(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)o1 ZINC001592355756 1167503803 /nfs/dbraw/zinc/50/38/03/1167503803.db2.gz QVQQIPAEWBOQQE-UHFFFAOYSA-N -1 1 302.298 0.766 20 0 DCADMM Cc1nc(C)c(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)o1 ZINC001592355756 1167503809 /nfs/dbraw/zinc/50/38/09/1167503809.db2.gz QVQQIPAEWBOQQE-UHFFFAOYSA-N -1 1 302.298 0.766 20 0 DCADMM Cc1ncc(CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)o1 ZINC001592411216 1167514979 /nfs/dbraw/zinc/51/49/79/1167514979.db2.gz ZCANHMJAMIWHMQ-UHFFFAOYSA-N -1 1 314.309 0.945 20 0 DCADMM Cc1cnc(C)nc1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592408689 1167515273 /nfs/dbraw/zinc/51/52/73/1167515273.db2.gz YHZQAGCHTJKGJC-SSDOTTSWSA-N -1 1 314.313 0.065 20 0 DCADMM Cc1nn(C)c(NS(=O)(=O)CCCCF)c1-c1nn[n-]n1 ZINC001592433014 1167520631 /nfs/dbraw/zinc/52/06/31/1167520631.db2.gz QGCRHUXVTSHFTC-UHFFFAOYSA-N -1 1 317.350 0.400 20 0 DCADMM Cc1nn(C)c(NC(=O)COC[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC001592434064 1167521075 /nfs/dbraw/zinc/52/10/75/1167521075.db2.gz ORXQRJOGGYQDKW-VIFPVBQESA-N -1 1 321.341 0.043 20 0 DCADMM Cc1nn(C)c(NC(=O)COC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001592434064 1167521081 /nfs/dbraw/zinc/52/10/81/1167521081.db2.gz ORXQRJOGGYQDKW-VIFPVBQESA-N -1 1 321.341 0.043 20 0 DCADMM Cc1nn(C)cc1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001592435617 1167522981 /nfs/dbraw/zinc/52/29/81/1167522981.db2.gz RGOHUXNFZCNALL-UHFFFAOYSA-N -1 1 316.325 0.064 20 0 DCADMM Cc1nn(C)cc1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001592435617 1167522985 /nfs/dbraw/zinc/52/29/85/1167522985.db2.gz RGOHUXNFZCNALL-UHFFFAOYSA-N -1 1 316.325 0.064 20 0 DCADMM Cc1nn(Cc2cc(Cl)n(C)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438325 1167523472 /nfs/dbraw/zinc/52/34/72/1167523472.db2.gz XDYHUZXJIZJZRD-UHFFFAOYSA-N -1 1 320.744 0.475 20 0 DCADMM Cc1nnc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC001592443632 1167525383 /nfs/dbraw/zinc/52/53/83/1167525383.db2.gz FQTQCLGYZAWHCP-UHFFFAOYSA-N -1 1 303.257 0.627 20 0 DCADMM Cc1nnc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC001592443632 1167525386 /nfs/dbraw/zinc/52/53/86/1167525386.db2.gz FQTQCLGYZAWHCP-UHFFFAOYSA-N -1 1 303.257 0.627 20 0 DCADMM Cc1noc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001592461803 1167530057 /nfs/dbraw/zinc/53/00/57/1167530057.db2.gz ATXBHYLWYCMAGP-UHFFFAOYSA-N -1 1 303.257 0.627 20 0 DCADMM Cc1noc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001592461803 1167530061 /nfs/dbraw/zinc/53/00/61/1167530061.db2.gz ATXBHYLWYCMAGP-UHFFFAOYSA-N -1 1 303.257 0.627 20 0 DCADMM Cc1noc(C(F)F)c1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592456957 1167530345 /nfs/dbraw/zinc/53/03/45/1167530345.db2.gz SBGJNWSVBRVDCT-UHFFFAOYSA-N -1 1 310.224 0.568 20 0 DCADMM Cc1noc(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)n1 ZINC001592461933 1167532515 /nfs/dbraw/zinc/53/25/15/1167532515.db2.gz MGXBBORZNYUDFZ-UHFFFAOYSA-N -1 1 320.700 0.537 20 0 DCADMM Cc1nsc(N2CC[S@@](=O)C[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592476519 1167533778 /nfs/dbraw/zinc/53/37/78/1167533778.db2.gz QUUXUUQEKUAMOC-JLPJYYFKSA-N -1 1 312.424 0.836 20 0 DCADMM Cc1nsc(NC(=O)NCC2(CCO)CC2)c1-c1nnn[n-]1 ZINC001592481169 1167535612 /nfs/dbraw/zinc/53/56/12/1167535612.db2.gz HLIONBATXNFKDR-UHFFFAOYSA-N -1 1 323.382 0.916 20 0 DCADMM Cc1nsc(NC(=O)NCC2(CCO)CC2)c1-c1nn[n-]n1 ZINC001592481169 1167535619 /nfs/dbraw/zinc/53/56/19/1167535619.db2.gz HLIONBATXNFKDR-UHFFFAOYSA-N -1 1 323.382 0.916 20 0 DCADMM Cc1nsc(Nc2cnn(CC(N)=O)c2)c1-c1nn[n-]n1 ZINC001592494210 1167538764 /nfs/dbraw/zinc/53/87/64/1167538764.db2.gz PRFYWNDXWJDGQW-UHFFFAOYSA-N -1 1 305.327 0.057 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC001592517258 1167546745 /nfs/dbraw/zinc/54/67/45/1167546745.db2.gz GHZIEJZTOASBIP-GXSJLCMTSA-N -1 1 318.337 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001592517258 1167546747 /nfs/dbraw/zinc/54/67/47/1167546747.db2.gz GHZIEJZTOASBIP-GXSJLCMTSA-N -1 1 318.337 0.389 20 0 DCADMM Cc1onc(CC(=O)N2Cc3cncnc3C2)c1-c1nnn[n-]1 ZINC001592515720 1167546971 /nfs/dbraw/zinc/54/69/71/1167546971.db2.gz LFSDIXNWLFWNOT-UHFFFAOYSA-N -1 1 312.293 0.038 20 0 DCADMM Cc1onc(CC(=O)N2Cc3cncnc3C2)c1-c1nn[n-]n1 ZINC001592515720 1167546978 /nfs/dbraw/zinc/54/69/78/1167546978.db2.gz LFSDIXNWLFWNOT-UHFFFAOYSA-N -1 1 312.293 0.038 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@H]2CC=CCC2)c(-c2nn[n-]n2)c1=O ZINC001592546998 1167552481 /nfs/dbraw/zinc/55/24/81/1167552481.db2.gz ZVPAXPZQQQPHLD-QMMMGPOBSA-N -1 1 303.326 0.434 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2cnn3ccccc23)n1 ZINC001592558998 1167558748 /nfs/dbraw/zinc/55/87/48/1167558748.db2.gz SFXAFWCPJMYYAF-UHFFFAOYSA-N -1 1 323.320 0.429 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2cnn3ccccc23)n1 ZINC001592558998 1167558752 /nfs/dbraw/zinc/55/87/52/1167558752.db2.gz SFXAFWCPJMYYAF-UHFFFAOYSA-N -1 1 323.320 0.429 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccnc(C3CC3)n2)n1 ZINC001592559725 1167560664 /nfs/dbraw/zinc/56/06/64/1167560664.db2.gz BMDJYZOOAKUKJJ-UHFFFAOYSA-N -1 1 311.309 0.520 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccnc(C3CC3)n2)n1 ZINC001592559725 1167560666 /nfs/dbraw/zinc/56/06/66/1167560666.db2.gz BMDJYZOOAKUKJJ-UHFFFAOYSA-N -1 1 311.309 0.520 20 0 DCADMM Cn1cc(CCOC(=O)c2csc(-c3nnn[n-]3)c2)nn1 ZINC001592573568 1167567017 /nfs/dbraw/zinc/56/70/17/1167567017.db2.gz PDXORRBHVKYXOI-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM Cn1cc(CCOC(=O)c2csc(-c3nn[n-]n3)c2)nn1 ZINC001592573568 1167567025 /nfs/dbraw/zinc/56/70/25/1167567025.db2.gz PDXORRBHVKYXOI-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM Cn1ccc([C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001592578609 1167567329 /nfs/dbraw/zinc/56/73/29/1167567329.db2.gz AWFLMSDXOCDQEZ-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ccc([C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001592578609 1167567336 /nfs/dbraw/zinc/56/73/36/1167567336.db2.gz AWFLMSDXOCDQEZ-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ccnc1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592585898 1167570810 /nfs/dbraw/zinc/57/08/10/1167570810.db2.gz JPYQIDABZJINEN-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1cnc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001592587873 1167572559 /nfs/dbraw/zinc/57/25/59/1167572559.db2.gz WIFRWJCZRMTVNM-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1[n-]c(CSc2ccc(-c3nn[nH]n3)cc2F)nc1=O ZINC001592595080 1167576260 /nfs/dbraw/zinc/57/62/60/1167576260.db2.gz QQXHKOHGDJZSNQ-UHFFFAOYSA-N -1 1 307.314 0.720 20 0 DCADMM FC(F)CN1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592624621 1167586218 /nfs/dbraw/zinc/58/62/18/1167586218.db2.gz NCDDLZFSGUHHPL-QMMMGPOBSA-N -1 1 310.312 0.798 20 0 DCADMM FC(F)CN1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592624621 1167586224 /nfs/dbraw/zinc/58/62/24/1167586224.db2.gz NCDDLZFSGUHHPL-QMMMGPOBSA-N -1 1 310.312 0.798 20 0 DCADMM FC(F)(F)[C@H]1CCC[C@H](Cn2cc(-c3nn[n-]n3)nn2)O1 ZINC001592613729 1167586671 /nfs/dbraw/zinc/58/66/71/1167586671.db2.gz JWMNVQNAXYBSQB-HTRCEHHLSA-N -1 1 303.248 0.958 20 0 DCADMM NC(=O)[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592715191 1167608579 /nfs/dbraw/zinc/60/85/79/1167608579.db2.gz ITLJODRVNKFFKQ-NSHDSACASA-N -1 1 312.289 0.416 20 0 DCADMM NC(=O)[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592715191 1167608583 /nfs/dbraw/zinc/60/85/83/1167608583.db2.gz ITLJODRVNKFFKQ-NSHDSACASA-N -1 1 312.289 0.416 20 0 DCADMM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592721809 1167613856 /nfs/dbraw/zinc/61/38/56/1167613856.db2.gz VBOPBDWXNVZJOF-IUCAKERBSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592721809 1167613860 /nfs/dbraw/zinc/61/38/60/1167613860.db2.gz VBOPBDWXNVZJOF-IUCAKERBSA-N -1 1 304.310 0.234 20 0 DCADMM Nc1nnc(CNc2c3ccccc3nnc2-c2nnn[n-]2)o1 ZINC001592763603 1167637156 /nfs/dbraw/zinc/63/71/56/1167637156.db2.gz COAXFOOGDAJTBF-UHFFFAOYSA-N -1 1 310.281 0.387 20 0 DCADMM Nc1nnc(CNc2c3ccccc3nnc2-c2nn[n-]n2)o1 ZINC001592763603 1167637163 /nfs/dbraw/zinc/63/71/63/1167637163.db2.gz COAXFOOGDAJTBF-UHFFFAOYSA-N -1 1 310.281 0.387 20 0 DCADMM O=C(COc1cnc(-c2nn[n-]n2)nc1)NCc1cccs1 ZINC001592899415 1167661837 /nfs/dbraw/zinc/66/18/37/1167661837.db2.gz CJWIQQXXRXTNGO-UHFFFAOYSA-N -1 1 317.334 0.413 20 0 DCADMM O=C(CSC(F)F)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592901985 1167662167 /nfs/dbraw/zinc/66/21/67/1167662167.db2.gz OUTUKYOZWKAFBZ-UHFFFAOYSA-N -1 1 300.294 0.834 20 0 DCADMM O=C(CSC(F)F)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592901985 1167662171 /nfs/dbraw/zinc/66/21/71/1167662171.db2.gz OUTUKYOZWKAFBZ-UHFFFAOYSA-N -1 1 300.294 0.834 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC2(C1)CCCOC2 ZINC001592914050 1167662996 /nfs/dbraw/zinc/66/29/96/1167662996.db2.gz UQLXTPFQUUSZOV-UHFFFAOYSA-N -1 1 314.349 0.443 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC2(C1)CCCOC2 ZINC001592914050 1167663000 /nfs/dbraw/zinc/66/30/00/1167663000.db2.gz UQLXTPFQUUSZOV-UHFFFAOYSA-N -1 1 314.349 0.443 20 0 DCADMM O=C(Cc1cncc(O)c1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592928671 1167667294 /nfs/dbraw/zinc/66/72/94/1167667294.db2.gz SWPXDLOVPNACKF-UHFFFAOYSA-N -1 1 311.305 0.221 20 0 DCADMM O=C(NC1(c2ncon2)CCC1)c1ccc(-c2nnn[n-]2)o1 ZINC001592962531 1167673785 /nfs/dbraw/zinc/67/37/85/1167673785.db2.gz OEBQXSRGBBNOQQ-UHFFFAOYSA-N -1 1 301.266 0.652 20 0 DCADMM O=C(NC1(c2ncon2)CCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001592962531 1167673794 /nfs/dbraw/zinc/67/37/94/1167673794.db2.gz OEBQXSRGBBNOQQ-UHFFFAOYSA-N -1 1 301.266 0.652 20 0 DCADMM O=C(N[C@H]1CCCC12OCCO2)c1ccc(-c2nnn[n-]2)o1 ZINC001592980236 1167678869 /nfs/dbraw/zinc/67/88/69/1167678869.db2.gz XDGZGZOWJYCQJO-JTQLQIEISA-N -1 1 305.294 0.485 20 0 DCADMM O=C(N[C@H]1CCCC12OCCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001592980236 1167678872 /nfs/dbraw/zinc/67/88/72/1167678872.db2.gz XDGZGZOWJYCQJO-JTQLQIEISA-N -1 1 305.294 0.485 20 0 DCADMM O=C(N[C@H]1CCN(CC(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001592984732 1167679209 /nfs/dbraw/zinc/67/92/09/1167679209.db2.gz ODGFOABKTYICSE-VIFPVBQESA-N -1 1 323.307 0.331 20 0 DCADMM O=C(N[C@H]1CCN(CC(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592984732 1167679211 /nfs/dbraw/zinc/67/92/11/1167679211.db2.gz ODGFOABKTYICSE-VIFPVBQESA-N -1 1 323.307 0.331 20 0 DCADMM O=C(N[C@H]1CCC[C@H]1CCO)c1ccnc(-c2nnn[n-]2)c1 ZINC001592976178 1167679465 /nfs/dbraw/zinc/67/94/65/1167679465.db2.gz BFVIKLXOXBQPDS-ONGXEEELSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CCC[C@H]1CCO)c1ccnc(-c2nn[n-]n2)c1 ZINC001592976178 1167679468 /nfs/dbraw/zinc/67/94/68/1167679468.db2.gz BFVIKLXOXBQPDS-ONGXEEELSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1CCOC12CCOCC2)c1coc(-c2nnn[n-]2)c1 ZINC001592996804 1167680831 /nfs/dbraw/zinc/68/08/31/1167680831.db2.gz RSQLPCHPHNHNLM-LLVKDONJSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@@H]1CCOC12CCOCC2)c1coc(-c2nn[n-]n2)c1 ZINC001592996804 1167680832 /nfs/dbraw/zinc/68/08/32/1167680832.db2.gz RSQLPCHPHNHNLM-LLVKDONJSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(NC[C@H](O)C1CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593012440 1167687110 /nfs/dbraw/zinc/68/71/10/1167687110.db2.gz DXFLPLLOBWTWGO-NSHDSACASA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NC[C@H](O)C1CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593012440 1167687115 /nfs/dbraw/zinc/68/71/15/1167687115.db2.gz DXFLPLLOBWTWGO-NSHDSACASA-N -1 1 305.313 0.897 20 0 DCADMM O=C(NC[C@@H](O)c1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593014178 1167689274 /nfs/dbraw/zinc/68/92/74/1167689274.db2.gz VTFDCZZAEKQTJI-CYBMUJFWSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(NC[C@@H](O)c1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593014178 1167689276 /nfs/dbraw/zinc/68/92/76/1167689276.db2.gz VTFDCZZAEKQTJI-CYBMUJFWSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(NCCC1(CO)CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593059191 1167694436 /nfs/dbraw/zinc/69/44/36/1167694436.db2.gz RXOWRTAYGSVDQC-UHFFFAOYSA-N -1 1 317.353 0.936 20 0 DCADMM O=C(NCCC1(CO)CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593059191 1167694440 /nfs/dbraw/zinc/69/44/40/1167694440.db2.gz RXOWRTAYGSVDQC-UHFFFAOYSA-N -1 1 317.353 0.936 20 0 DCADMM O=C(NCC[C@H](O)C(F)(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001593056663 1167695719 /nfs/dbraw/zinc/69/57/19/1167695719.db2.gz JSCHDYRJEQIWKR-ZETCQYMHSA-N -1 1 305.216 0.503 20 0 DCADMM O=C(NCC[C@H](O)C(F)(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001593056663 1167695722 /nfs/dbraw/zinc/69/57/22/1167695722.db2.gz JSCHDYRJEQIWKR-ZETCQYMHSA-N -1 1 305.216 0.503 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NCc1cccs1 ZINC001593111093 1167713035 /nfs/dbraw/zinc/71/30/35/1167713035.db2.gz IVIKCEYNZYVXKX-UHFFFAOYSA-N -1 1 319.354 0.019 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@]12C[C@H]1COC2 ZINC001593136524 1167719515 /nfs/dbraw/zinc/71/95/15/1167719515.db2.gz PRJDPDOVAPJXSU-MADCSZMMSA-N -1 1 306.351 0.516 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1CCCO1 ZINC001593137633 1167719988 /nfs/dbraw/zinc/71/99/88/1167719988.db2.gz LNFQOLMRDSNKEV-MRVPVSSYSA-N -1 1 308.367 0.906 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N1CCC[C@H](O)CC1 ZINC001593149265 1167726051 /nfs/dbraw/zinc/72/60/51/1167726051.db2.gz LTBLAPGNCSJGAX-QMMMGPOBSA-N -1 1 323.382 0.380 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N1CCC[C@H](O)CC1 ZINC001593149265 1167726058 /nfs/dbraw/zinc/72/60/58/1167726058.db2.gz LTBLAPGNCSJGAX-QMMMGPOBSA-N -1 1 323.382 0.380 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC001593259519 1167746949 /nfs/dbraw/zinc/74/69/49/1167746949.db2.gz BHLCXFLVGMYACB-UHFFFAOYSA-N -1 1 313.277 0.613 20 0 DCADMM O=C(OCCCN1CCOC1=O)c1coc(-c2nnn[n-]2)c1 ZINC001593287374 1167761146 /nfs/dbraw/zinc/76/11/46/1167761146.db2.gz GUQDYVGDRCTFRZ-UHFFFAOYSA-N -1 1 307.266 0.459 20 0 DCADMM O=C(OCCCN1CCOC1=O)c1coc(-c2nn[n-]n2)c1 ZINC001593287374 1167761154 /nfs/dbraw/zinc/76/11/54/1167761154.db2.gz GUQDYVGDRCTFRZ-UHFFFAOYSA-N -1 1 307.266 0.459 20 0 DCADMM O=C(OCCOCC(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001593290548 1167763036 /nfs/dbraw/zinc/76/30/36/1167763036.db2.gz NYBKQJIIMKYOCN-UHFFFAOYSA-N -1 1 317.227 0.997 20 0 DCADMM O=C(OCCOCC(F)(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001593290548 1167763044 /nfs/dbraw/zinc/76/30/44/1167763044.db2.gz NYBKQJIIMKYOCN-UHFFFAOYSA-N -1 1 317.227 0.997 20 0 DCADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1CCCS1(=O)=O ZINC001593297286 1167763709 /nfs/dbraw/zinc/76/37/09/1167763709.db2.gz CUQLRZTUUJBGEC-SECBINFHSA-N -1 1 312.307 0.080 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1CCCS1(=O)=O ZINC001593297286 1167763716 /nfs/dbraw/zinc/76/37/16/1167763716.db2.gz CUQLRZTUUJBGEC-SECBINFHSA-N -1 1 312.307 0.080 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCC[C@H](O)C1 ZINC001593327831 1167774047 /nfs/dbraw/zinc/77/40/47/1167774047.db2.gz NWQWLWVTCTWYQP-QMMMGPOBSA-N -1 1 309.276 0.742 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCC[C@H](O)C1 ZINC001593327831 1167774057 /nfs/dbraw/zinc/77/40/57/1167774057.db2.gz NWQWLWVTCTWYQP-QMMMGPOBSA-N -1 1 309.276 0.742 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001593336783 1167779702 /nfs/dbraw/zinc/77/97/02/1167779702.db2.gz BBMQUUDHUKPXDA-AAEUAGOBSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001593336783 1167779709 /nfs/dbraw/zinc/77/97/09/1167779709.db2.gz BBMQUUDHUKPXDA-AAEUAGOBSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001593340885 1167782323 /nfs/dbraw/zinc/78/23/23/1167782323.db2.gz NOHYNVPGQBFBMM-PWSUYJOCSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001593340885 1167782333 /nfs/dbraw/zinc/78/23/33/1167782333.db2.gz NOHYNVPGQBFBMM-PWSUYJOCSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H]1[C@H]1CCCOC1 ZINC001593349040 1167784028 /nfs/dbraw/zinc/78/40/28/1167784028.db2.gz XDPPYWPKOIYSKW-GWCFXTLKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H]1[C@H]1CCCOC1 ZINC001593349040 1167784040 /nfs/dbraw/zinc/78/40/40/1167784040.db2.gz XDPPYWPKOIYSKW-GWCFXTLKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)C1=NNC(=O)CC1 ZINC001593387497 1167798893 /nfs/dbraw/zinc/79/88/93/1167798893.db2.gz KMBQYVGWSMGQDO-UHFFFAOYSA-N -1 1 306.307 0.237 20 0 DCADMM O=C1CCN(c2cc(-c3nnn[n-]3)ncn2)CCCCCCN1 ZINC001593394395 1167805453 /nfs/dbraw/zinc/80/54/53/1167805453.db2.gz OFEDNIVUNGAYNT-UHFFFAOYSA-N -1 1 316.369 0.543 20 0 DCADMM O=C1CCN(c2cc(-c3nn[n-]n3)ncn2)CCCCCCN1 ZINC001593394395 1167805467 /nfs/dbraw/zinc/80/54/67/1167805467.db2.gz OFEDNIVUNGAYNT-UHFFFAOYSA-N -1 1 316.369 0.543 20 0 DCADMM O=C1NCCC[C@@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593408928 1167823400 /nfs/dbraw/zinc/82/34/00/1167823400.db2.gz QXVKPNBVIFWYTA-RXMQYKEDSA-N -1 1 313.774 0.915 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cccnc1-c1nn[n-]n1 ZINC001593433517 1167838144 /nfs/dbraw/zinc/83/81/44/1167838144.db2.gz FWWKLAHYZHBPCR-KXUCPTDWSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1CCSCC1 ZINC001593454095 1167845980 /nfs/dbraw/zinc/84/59/80/1167845980.db2.gz AZZMWMFSCGMDCS-UHFFFAOYSA-N -1 1 317.421 0.666 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1CCSCC1 ZINC001593454095 1167845991 /nfs/dbraw/zinc/84/59/91/1167845991.db2.gz AZZMWMFSCGMDCS-UHFFFAOYSA-N -1 1 317.421 0.666 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ncccc1Cl ZINC001593489511 1167874233 /nfs/dbraw/zinc/87/42/33/1167874233.db2.gz QZPHMWOUGRSMRY-UHFFFAOYSA-N -1 1 305.685 0.226 20 0 DCADMM O=c1[n-]c([C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)n[nH]1 ZINC001593497955 1167878841 /nfs/dbraw/zinc/87/88/41/1167878841.db2.gz NZEDWCQFSWQKCS-MRVPVSSYSA-N -1 1 313.325 0.469 20 0 DCADMM O[C@@H]([C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)C1)C(F)(F)F ZINC001593498407 1167879743 /nfs/dbraw/zinc/87/97/43/1167879743.db2.gz MVSXEHAFVJQJIJ-MUWHJKNJSA-N -1 1 315.259 0.406 20 0 DCADMM O[C@@H]([C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)C1)C(F)(F)F ZINC001593498407 1167879752 /nfs/dbraw/zinc/87/97/52/1167879752.db2.gz MVSXEHAFVJQJIJ-MUWHJKNJSA-N -1 1 315.259 0.406 20 0 DCADMM OC1(C2(CNc3cncc(-c4nnn[n-]4)n3)CC2)CCOCC1 ZINC001593511294 1167889081 /nfs/dbraw/zinc/88/90/81/1167889081.db2.gz UISPDMNKIFDPAC-UHFFFAOYSA-N -1 1 317.353 0.390 20 0 DCADMM OC1(C2(CNc3cncc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001593511294 1167889088 /nfs/dbraw/zinc/88/90/88/1167889088.db2.gz UISPDMNKIFDPAC-UHFFFAOYSA-N -1 1 317.353 0.390 20 0 DCADMM O[C@@H]1C[C@H](c2ccccc2)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001593518079 1167893136 /nfs/dbraw/zinc/89/31/36/1167893136.db2.gz QSNNQLRBKMPPOR-VXGBXAGGSA-N -1 1 309.333 0.969 20 0 DCADMM O[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC2(CCOCC2)C1 ZINC001593519962 1167893868 /nfs/dbraw/zinc/89/38/68/1167893868.db2.gz ROWLQRVAISPMPX-SNVBAGLBSA-N -1 1 317.353 0.025 20 0 DCADMM O[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC2(CCOCC2)C1 ZINC001593519962 1167893873 /nfs/dbraw/zinc/89/38/73/1167893873.db2.gz ROWLQRVAISPMPX-SNVBAGLBSA-N -1 1 317.353 0.025 20 0 DCADMM c1cc(NCc2nnc(C3CC3)s2)nc(-c2nn[n-]n2)n1 ZINC001593560468 1167940616 /nfs/dbraw/zinc/94/06/16/1167940616.db2.gz BGCQGNRRKQWYGW-UHFFFAOYSA-N -1 1 301.339 0.420 20 0 DCADMM c1cn(-c2ccccc2CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001593569939 1167945566 /nfs/dbraw/zinc/94/55/66/1167945566.db2.gz LAKMIHBIAMADDD-UHFFFAOYSA-N -1 1 319.332 0.876 20 0 DCADMM c1ccc(N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001593576153 1167946019 /nfs/dbraw/zinc/94/60/19/1167946019.db2.gz NWNZZYNZPVCDSS-UHFFFAOYSA-N -1 1 323.364 0.555 20 0 DCADMM c1c(CNc2cncc(-c3nnn[n-]3)n2)nnn1-c1ccccc1 ZINC001593569319 1167947730 /nfs/dbraw/zinc/94/77/30/1167947730.db2.gz CYLBXWUJSTZMJK-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1c(CNc2cncc(-c3nn[n-]n3)n2)nnn1-c1ccccc1 ZINC001593569319 1167947742 /nfs/dbraw/zinc/94/77/42/1167947742.db2.gz CYLBXWUJSTZMJK-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nn(-c2ccccn2)cc1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001593569342 1167948098 /nfs/dbraw/zinc/94/80/98/1167948098.db2.gz DUKUBHASDXESLG-UHFFFAOYSA-N -1 1 306.293 0.403 20 0 DCADMM c1nc(-c2nn[n-]n2)nn1CCNc1cnc2ccccc2n1 ZINC001593582814 1167949976 /nfs/dbraw/zinc/94/99/76/1167949976.db2.gz ZYNUAYQEAXDCHO-UHFFFAOYSA-N -1 1 308.309 0.514 20 0 DCADMM c1ccc2c(c1)OC[C@H](CNc1ncncc1-c1nn[n-]n1)O2 ZINC001593579409 1167950475 /nfs/dbraw/zinc/95/04/75/1167950475.db2.gz GFLJMYFAOCWEOO-VIFPVBQESA-N -1 1 311.305 0.909 20 0 DCADMM c1ncc(-c2nn[n-]n2)c(N2CCC[C@H]([C@@H]3CCOC3)C2)n1 ZINC001593591887 1167953963 /nfs/dbraw/zinc/95/39/63/1167953963.db2.gz RPMOVIHOJGHDRU-WDEREUQCSA-N -1 1 301.354 0.910 20 0 DCADMM c1nc(N2CCC[C@H]([C@@H]3CCOC3)C2)cnc1-c1nnn[n-]1 ZINC001593591072 1167955256 /nfs/dbraw/zinc/95/52/56/1167955256.db2.gz KGKBYAHDRWTFSZ-WDEREUQCSA-N -1 1 301.354 0.910 20 0 DCADMM c1nc(N2CCC[C@H]([C@@H]3CCOC3)C2)cnc1-c1nn[n-]n1 ZINC001593591072 1167955260 /nfs/dbraw/zinc/95/52/60/1167955260.db2.gz KGKBYAHDRWTFSZ-WDEREUQCSA-N -1 1 301.354 0.910 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCOC[C@H]2[C@H]2CCCO2)n1 ZINC001593590499 1167955429 /nfs/dbraw/zinc/95/54/29/1167955429.db2.gz VODRRSKWVZWODC-WDEREUQCSA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCOC[C@H]2[C@H]2CCCO2)n1 ZINC001593590499 1167955435 /nfs/dbraw/zinc/95/54/35/1167955435.db2.gz VODRRSKWVZWODC-WDEREUQCSA-N -1 1 303.326 0.041 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)c1cnn(-c2cccnc2)c1 ZINC001593862952 1167962237 /nfs/dbraw/zinc/96/22/37/1167962237.db2.gz HXCWWSLUMXEKGQ-UHFFFAOYSA-N -1 1 310.321 0.590 20 0 DCADMM COC[C@H](NC(=O)c1c[nH]c2cc(=O)ccc-2c1)c1nn[n-]n1 ZINC001595889815 1167981722 /nfs/dbraw/zinc/98/17/22/1167981722.db2.gz YWBJZQAPAUTJBX-LBPRGKRZSA-N -1 1 314.305 0.571 20 0 DCADMM COCCn1cc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cn1 ZINC001599270589 1168071078 /nfs/dbraw/zinc/07/10/78/1168071078.db2.gz JSLOUCNNVRUSLH-LBPRGKRZSA-N -1 1 320.353 0.266 20 0 DCADMM Cc1cc(CNC(=O)C(=O)NCc2cc(C(=O)[O-])c(C)o2)n[nH]1 ZINC001600197306 1168135853 /nfs/dbraw/zinc/13/58/53/1168135853.db2.gz GOWKTPOEXAERMK-UHFFFAOYSA-N -1 1 320.305 0.250 20 0 DCADMM Cc1cc(CNC(=O)C2CN([C@@H]3CCOC3)C2)oc1C(=O)[O-] ZINC001600198296 1168137282 /nfs/dbraw/zinc/13/72/82/1168137282.db2.gz IQWOMHZHEKHOGL-LLVKDONJSA-N -1 1 308.334 0.623 20 0 DCADMM Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)nn1C ZINC001600212573 1168139047 /nfs/dbraw/zinc/13/90/47/1168139047.db2.gz UERSFKGBQJWLGD-WFFHOREQSA-N -1 1 306.366 0.186 20 0 DCADMM Cc1cc(CNCCOCCS(C)(=O)=O)oc1C(=O)[O-] ZINC001600205410 1168139076 /nfs/dbraw/zinc/13/90/76/1168139076.db2.gz JTDQFTWWLXCGFT-UHFFFAOYSA-N -1 1 305.352 0.437 20 0 DCADMM Cc1cc(COCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])no1 ZINC001600215477 1168139791 /nfs/dbraw/zinc/13/97/91/1168139791.db2.gz VRWXCDLBIRZBGL-NSHDSACASA-N -1 1 308.294 0.035 20 0 DCADMM Cc1ccc(F)c(N)c1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600428959 1168181537 /nfs/dbraw/zinc/18/15/37/1168181537.db2.gz OHHSOKZJRHZTAW-JTQLQIEISA-N -1 1 306.297 0.865 20 0 DCADMM Cc1ccc(NC(=O)CNCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC001600448594 1168186433 /nfs/dbraw/zinc/18/64/33/1168186433.db2.gz IVYZYXVHEWTZSG-QWHCGFSZSA-N -1 1 319.361 0.360 20 0 DCADMM Cc1ccc(NC(=O)CNCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC001600448593 1168186705 /nfs/dbraw/zinc/18/67/05/1168186705.db2.gz IVYZYXVHEWTZSG-OLZOCXBDSA-N -1 1 319.361 0.360 20 0 DCADMM Cc1ccc(NC(=O)CNCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC001600448595 1168187045 /nfs/dbraw/zinc/18/70/45/1168187045.db2.gz IVYZYXVHEWTZSG-STQMWFEESA-N -1 1 319.361 0.360 20 0 DCADMM Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001600532934 1168196996 /nfs/dbraw/zinc/19/69/96/1168196996.db2.gz FNIARJIYRUUQPJ-GJZGRUSLSA-N -1 1 320.389 0.911 20 0 DCADMM Cc1ccccc1CNC(=O)[C@H](C)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600581481 1168202530 /nfs/dbraw/zinc/20/25/30/1168202530.db2.gz YJGCTURDOGZDFG-AEGPPILISA-N -1 1 320.389 0.767 20 0 DCADMM Cc1cc[nH]c(=O)c1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001600600808 1168208385 /nfs/dbraw/zinc/20/83/85/1168208385.db2.gz SVPLLAVDRUZWHX-LLVKDONJSA-N -1 1 307.350 0.717 20 0 DCADMM Cc1cnn(C)c1CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001600635626 1168222821 /nfs/dbraw/zinc/22/28/21/1168222821.db2.gz OESQIPQTQBEBNK-NSHDSACASA-N -1 1 304.354 0.855 20 0 DCADMM Cc1nc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)cs1 ZINC001600701745 1168258120 /nfs/dbraw/zinc/25/81/20/1168258120.db2.gz MCVYRNAOHZOBTP-QCMRWSPLSA-N -1 1 309.391 0.909 20 0 DCADMM Cc1ncc(CNC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)o1 ZINC001600737251 1168269890 /nfs/dbraw/zinc/26/98/90/1168269890.db2.gz OHRCXEOEMWNILN-NWDGAFQWSA-N -1 1 307.350 0.832 20 0 DCADMM Cc1ncoc1CNC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1 ZINC001600757761 1168280423 /nfs/dbraw/zinc/28/04/23/1168280423.db2.gz BUCYJFSJDRQBGF-MNOVXSKESA-N -1 1 307.350 0.832 20 0 DCADMM Cc1nc([C@H](C)NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)n[nH]1 ZINC001600791830 1168297906 /nfs/dbraw/zinc/29/79/06/1168297906.db2.gz HQDMOTRSVLUVHJ-ZETCQYMHSA-N -1 1 317.305 0.627 20 0 DCADMM Cc1nocc1CN1CCC2(CN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)C1 ZINC001600817037 1168472155 /nfs/dbraw/zinc/47/21/55/1168472155.db2.gz WKQLBJOLVBIUTJ-STQMWFEESA-N -1 1 319.361 0.738 20 0 DCADMM Cn1c(C(=O)[O-])ccc1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC001600905293 1168500930 /nfs/dbraw/zinc/50/09/30/1168500930.db2.gz JRIQVRHVRBJABD-QMMMGPOBSA-N -1 1 304.310 0.256 20 0 DCADMM Cn1nc(Br)nc1CN[C@@](C)(CCF)C(=O)[O-] ZINC001600999112 1168555525 /nfs/dbraw/zinc/55/55/25/1168555525.db2.gz ORMRRQSPVMVJTK-VIFPVBQESA-N -1 1 309.139 0.870 20 0 DCADMM Cn1nc(NC(=O)c2cccc3nc(CO)[nH]c32)cc1C(=O)[O-] ZINC001601015721 1168564008 /nfs/dbraw/zinc/56/40/08/1168564008.db2.gz JPUYRPVMEOILSL-UHFFFAOYSA-N -1 1 315.289 0.739 20 0 DCADMM NC(=O)[C@H](NC[C@H]1[C@H](C(=O)[O-])C1(F)F)c1ccc(F)cc1 ZINC001601138642 1168595659 /nfs/dbraw/zinc/59/56/59/1168595659.db2.gz FCBIEUJPHUWFSL-IVZWLZJFSA-N -1 1 302.252 0.908 20 0 DCADMM NCc1nnnn1Cc1c(Br)cccc1C(=O)[O-] ZINC001601192183 1168646508 /nfs/dbraw/zinc/64/65/08/1168646508.db2.gz PKKAYMQXKYWVBJ-UHFFFAOYSA-N -1 1 312.127 0.641 20 0 DCADMM O=C([O-])C1(O)CN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC001601227576 1168669067 /nfs/dbraw/zinc/66/90/67/1168669067.db2.gz KAARFMLGFTZNAV-CYBMUJFWSA-N -1 1 304.346 0.309 20 0 DCADMM O=C(CCCc1nn[nH]n1)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001601272377 1168684776 /nfs/dbraw/zinc/68/47/76/1168684776.db2.gz WSEOZBWIKYGXPW-UHFFFAOYSA-N -1 1 305.298 0.002 20 0 DCADMM O=C([O-])[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC001601313995 1168702227 /nfs/dbraw/zinc/70/22/27/1168702227.db2.gz SITSZZZWNKMCTK-OCCSQVGLSA-N -1 1 308.334 0.144 20 0 DCADMM O=C([O-])[C@@H]1[C@H](O)CCC[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC001601313995 1168702235 /nfs/dbraw/zinc/70/22/35/1168702235.db2.gz SITSZZZWNKMCTK-OCCSQVGLSA-N -1 1 308.334 0.144 20 0 DCADMM O=C([O-])c1cccc2nc(NC(=O)CN3CCCNC3=O)[nH]c21 ZINC001601315614 1168704534 /nfs/dbraw/zinc/70/45/34/1168704534.db2.gz RDCKVVVUYPCFSX-UHFFFAOYSA-N -1 1 317.305 0.615 20 0 DCADMM O=C([O-])[C@H]1CSCCN(CC(=O)NCc2ccccn2)C1 ZINC001601319106 1168706233 /nfs/dbraw/zinc/70/62/33/1168706233.db2.gz MVYWFOZVVMLPBS-LLVKDONJSA-N -1 1 309.391 0.447 20 0 DCADMM O=C([O-])[C@H](Cc1cncs1)NC(=O)c1cncc2nc[nH]c21 ZINC001601425055 1168740810 /nfs/dbraw/zinc/74/08/10/1168740810.db2.gz QXRFUAXTJOFZHG-VIFPVBQESA-N -1 1 317.330 0.840 20 0 DCADMM O=C([O-])[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC001601487203 1168763134 /nfs/dbraw/zinc/76/31/34/1168763134.db2.gz YHGRFMUBOZYADF-WCQYABFASA-N -1 1 323.393 0.053 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](O)Cc1ccccc1 ZINC001601565677 1168783452 /nfs/dbraw/zinc/78/34/52/1168783452.db2.gz KVDZBDJUDXYVFR-STQMWFEESA-N -1 1 303.318 0.125 20 0 DCADMM O=C([O-])[C@H]1C[C@H]1C(=O)NCCC1(CNCc2cnns2)CC1 ZINC001601777058 1168878440 /nfs/dbraw/zinc/87/84/40/1168878440.db2.gz BYBZPBFFDZVCGF-MNOVXSKESA-N -1 1 324.406 0.635 20 0 DCADMM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(Cc2n[nH]c(C3CC3)n2)CC1 ZINC001601777511 1168878964 /nfs/dbraw/zinc/87/89/64/1168878964.db2.gz IFIHLBKBNWMLBK-GHMZBOCLSA-N -1 1 319.365 0.047 20 0 DCADMM O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001601777866 1168879534 /nfs/dbraw/zinc/87/95/34/1168879534.db2.gz BKPGQNGNORQIPL-QSLWVIQJSA-N -1 1 301.346 0.349 20 0 DCADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(CC2CCCC2)C1 ZINC001601778042 1168879580 /nfs/dbraw/zinc/87/95/80/1168879580.db2.gz JRHDMDVIBZKOLQ-CHWSQXEVSA-N -1 1 310.394 0.450 20 0 DCADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001601777863 1168881212 /nfs/dbraw/zinc/88/12/12/1168881212.db2.gz BKPGQNGNORQIPL-MEBFFEOJSA-N -1 1 301.346 0.349 20 0 DCADMM O=C([O-])C1CC2(C1)C[N@@H+](C[C@@H]1C[C@@]13CCOC3)C[C@H]2C(=O)[O-] ZINC001601781376 1168890196 /nfs/dbraw/zinc/89/01/96/1168890196.db2.gz OIXHNUFZGRLIBX-TXBWMVAQSA-N -1 1 309.362 0.910 20 0 DCADMM O=C([O-])/C=C\c1ccc(C(=O)NC[C@@H]2CN3CCN2CCC3)o1 ZINC001601876824 1168923873 /nfs/dbraw/zinc/92/38/73/1168923873.db2.gz TZSLEMKUOLTNQY-KTLBGCOUSA-N -1 1 319.361 0.497 20 0 DCADMM O=C([O-])C[C@@H]1CN(C(=O)c2n[nH]cc2Br)CCO1 ZINC001601960048 1168947214 /nfs/dbraw/zinc/94/72/14/1168947214.db2.gz RBVQUPCCSUVAHC-ZCFIWIBFSA-N -1 1 318.127 0.488 20 0 DCADMM O=C([O-])C[C@H]1CN(C(=O)c2n[nH]cc2Br)CCO1 ZINC001601960047 1168947733 /nfs/dbraw/zinc/94/77/33/1168947733.db2.gz RBVQUPCCSUVAHC-LURJTMIESA-N -1 1 318.127 0.488 20 0 DCADMM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccccc1O ZINC001601965038 1168950400 /nfs/dbraw/zinc/95/04/00/1168950400.db2.gz ISAMCKVDYVDOMC-SECBINFHSA-N -1 1 301.320 0.256 20 0 DCADMM O=C([O-])CCCS(=O)(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001601999444 1168955982 /nfs/dbraw/zinc/95/59/82/1168955982.db2.gz DNBCOHLXWZVRTQ-LBPRGKRZSA-N -1 1 304.412 0.788 20 0 DCADMM O=C([O-])CCN1CCC[C@@H](N2CC[C@@H](n3cccn3)C2)C1=O ZINC001602010717 1168961907 /nfs/dbraw/zinc/96/19/07/1168961907.db2.gz FNQMPPOLDACJJF-CHWSQXEVSA-N -1 1 306.366 0.596 20 0 DCADMM O=C([O-])CCNC(=O)CN1CCC(Cc2cccnc2)CC1 ZINC001602021684 1168969832 /nfs/dbraw/zinc/96/98/32/1168969832.db2.gz JCFCJWJXYAIUEC-UHFFFAOYSA-N -1 1 305.378 0.927 20 0 DCADMM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CSc3n[nH]c(=S)s3)C[C@@H]21 ZINC001602206498 1169029205 /nfs/dbraw/zinc/02/92/05/1169029205.db2.gz FVFPGALJYTTWFN-KCQQBQQISA-N -1 1 317.417 0.708 20 0 DCADMM O=C([O-])c1cc(CNCCS(=O)(=O)N2CCCC2)c[nH]1 ZINC001602259821 1169044379 /nfs/dbraw/zinc/04/43/79/1169044379.db2.gz BNFUFUZSQOYKSW-UHFFFAOYSA-N -1 1 301.368 0.228 20 0 DCADMM O=C([O-])c1cc(CN[C@H]2C(=O)NCC23CCOCC3)cs1 ZINC001602260124 1169045195 /nfs/dbraw/zinc/04/51/95/1169045195.db2.gz LKKJACOVBHYGOA-NSHDSACASA-N -1 1 310.375 0.831 20 0 DCADMM O=C([O-])c1cc(CN[C@H]2CCS(=O)(=O)C2)n2c1CCCC2 ZINC001602258049 1169045825 /nfs/dbraw/zinc/04/58/25/1169045825.db2.gz ARNOCQWUNQGIOM-JTQLQIEISA-N -1 1 312.391 0.799 20 0 DCADMM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)on1 ZINC001602297261 1169052559 /nfs/dbraw/zinc/05/25/59/1169052559.db2.gz UDGKGYFKQNTIDM-ZWKOPEQDSA-N -1 1 320.326 0.989 20 0 DCADMM O=C([O-])c1ccc(OCCNS(=O)(=O)c2ncc[nH]2)cc1 ZINC001602390623 1169068480 /nfs/dbraw/zinc/06/84/80/1169068480.db2.gz AIOFYRSNWZRQKP-UHFFFAOYSA-N -1 1 311.319 0.465 20 0 DCADMM O=C([O-])c1cccc(OCC[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001602449732 1169081431 /nfs/dbraw/zinc/08/14/31/1169081431.db2.gz UEZOYVZHWIIOFJ-AWEZNQCLSA-N -1 1 306.362 0.780 20 0 DCADMM O=C([O-])c1cccc(OCCN2CCN3CCOC[C@@H]3C2)c1 ZINC001602449732 1169081442 /nfs/dbraw/zinc/08/14/42/1169081442.db2.gz UEZOYVZHWIIOFJ-AWEZNQCLSA-N -1 1 306.362 0.780 20 0 DCADMM O=C([O-])c1cn([C@@H]2CCCN(CCNC(=O)C3CC3)C2)nn1 ZINC001602495934 1169094669 /nfs/dbraw/zinc/09/46/69/1169094669.db2.gz XRGIYANUFZXVRN-LLVKDONJSA-N -1 1 307.354 0.139 20 0 DCADMM O=C([O-])c1cnc(N[C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)nc1 ZINC001602534625 1169110572 /nfs/dbraw/zinc/11/05/72/1169110572.db2.gz HWVFWOCZRQQDMU-NSHDSACASA-N -1 1 316.321 0.153 20 0 DCADMM O=Cc1ccc(F)c(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC001602666565 1169154087 /nfs/dbraw/zinc/15/40/87/1169154087.db2.gz DQJROXDRRKTTAF-LBPRGKRZSA-N -1 1 305.265 0.787 20 0 DCADMM O=Cc1ccc(/C=C\C(=O)N2CCN(CC(=O)[O-])CC2)cc1 ZINC001602667292 1169155401 /nfs/dbraw/zinc/15/54/01/1169155401.db2.gz RJBJYMBOUDVCLV-WAYWQWQTSA-N -1 1 302.330 0.741 20 0 DCADMM C=CC(=O)N(CC)CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001602798277 1169185143 /nfs/dbraw/zinc/18/51/43/1169185143.db2.gz NPPSHZAMCPBCMX-GFCCVEGCSA-N -1 1 311.382 0.028 20 0 DCADMM CC(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001602939152 1169212086 /nfs/dbraw/zinc/21/20/86/1169212086.db2.gz GSTVPHKTVQSMHY-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001602939152 1169212090 /nfs/dbraw/zinc/21/20/90/1169212090.db2.gz GSTVPHKTVQSMHY-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)OC1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001602958330 1169219817 /nfs/dbraw/zinc/21/98/17/1169219817.db2.gz RRNIAMMRVQVCHS-UHFFFAOYSA-N -1 1 305.294 0.627 20 0 DCADMM CC(=O)OC1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001602958330 1169219826 /nfs/dbraw/zinc/21/98/26/1169219826.db2.gz RRNIAMMRVQVCHS-UHFFFAOYSA-N -1 1 305.294 0.627 20 0 DCADMM C[C@@H](C(=O)N(C)Cc1cscn1)n1cnc(-c2nn[n-]n2)n1 ZINC001602991945 1169225380 /nfs/dbraw/zinc/22/53/80/1169225380.db2.gz ZCDJIMUBPXLQFM-ZETCQYMHSA-N -1 1 319.354 0.134 20 0 DCADMM C[C@@H](C(=O)N(C)Cc1ccsc1)n1cnc(-c2nn[n-]n2)n1 ZINC001602991038 1169226071 /nfs/dbraw/zinc/22/60/71/1169226071.db2.gz OAACPJWZVYBZTN-QMMMGPOBSA-N -1 1 318.366 0.739 20 0 DCADMM CC(C)(C)C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001603056033 1169241626 /nfs/dbraw/zinc/24/16/26/1169241626.db2.gz NPDHZNGPPDVDKZ-SNAWJCMRSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001603056033 1169241630 /nfs/dbraw/zinc/24/16/30/1169241630.db2.gz NPDHZNGPPDVDKZ-SNAWJCMRSA-N -1 1 316.369 0.787 20 0 DCADMM CC(C)(C)CC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)C(N)=O ZINC001603071811 1169244299 /nfs/dbraw/zinc/24/42/99/1169244299.db2.gz QLFRQDRDQHPUEV-MRVPVSSYSA-N -1 1 304.358 0.749 20 0 DCADMM CC(C)(C)CC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)C(N)=O ZINC001603071811 1169244304 /nfs/dbraw/zinc/24/43/04/1169244304.db2.gz QLFRQDRDQHPUEV-MRVPVSSYSA-N -1 1 304.358 0.749 20 0 DCADMM CC(=O)c1[nH]c(CC(=O)OCc2nnc[nH]2)c(C(=O)[O-])c1C ZINC001603097473 1169247498 /nfs/dbraw/zinc/24/74/98/1169247498.db2.gz DJYHQBAUGWQSTC-UHFFFAOYSA-N -1 1 306.278 0.628 20 0 DCADMM C[C@H](CN(C)C(=O)c1cccc(N2CCN(C)CC2)n1)C(=O)[O-] ZINC001603155988 1169259320 /nfs/dbraw/zinc/25/93/20/1169259320.db2.gz QHUNVUKXNLTEPZ-GFCCVEGCSA-N -1 1 320.393 0.626 20 0 DCADMM CC(C)[C@@H](F)C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001603225274 1169277996 /nfs/dbraw/zinc/27/79/96/1169277996.db2.gz NOIOUDGFLKELIF-LLVKDONJSA-N -1 1 322.348 0.569 20 0 DCADMM CC(C)[C@@H](F)C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001603225274 1169278000 /nfs/dbraw/zinc/27/80/00/1169278000.db2.gz NOIOUDGFLKELIF-LLVKDONJSA-N -1 1 322.348 0.569 20 0 DCADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001603237355 1169279910 /nfs/dbraw/zinc/27/99/10/1169279910.db2.gz ABGGPOPMWCWDHD-ZANVPECISA-N -1 1 304.358 0.257 20 0 DCADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCO1 ZINC001603241299 1169282557 /nfs/dbraw/zinc/28/25/57/1169282557.db2.gz OODLQRDIKFPEHV-WPRPVWTQSA-N -1 1 305.342 0.980 20 0 DCADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCO1 ZINC001603241299 1169282560 /nfs/dbraw/zinc/28/25/60/1169282560.db2.gz OODLQRDIKFPEHV-WPRPVWTQSA-N -1 1 305.342 0.980 20 0 DCADMM CC(C)O[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCOC1 ZINC001603347908 1169298948 /nfs/dbraw/zinc/29/89/48/1169298948.db2.gz VBIODRYZKIQDDG-ZDUSSCGKSA-N -1 1 305.342 0.653 20 0 DCADMM CC(C)O[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCOC1 ZINC001603347908 1169298954 /nfs/dbraw/zinc/29/89/54/1169298954.db2.gz VBIODRYZKIQDDG-ZDUSSCGKSA-N -1 1 305.342 0.653 20 0 DCADMM CC(C)OC1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001603347566 1169299906 /nfs/dbraw/zinc/29/99/06/1169299906.db2.gz RBHMSISHGACFNN-UHFFFAOYSA-N -1 1 306.330 0.241 20 0 DCADMM CC(C)OC1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001603347566 1169299914 /nfs/dbraw/zinc/29/99/14/1169299914.db2.gz RBHMSISHGACFNN-UHFFFAOYSA-N -1 1 306.330 0.241 20 0 DCADMM CC(C)n1ncnc1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603436023 1169305217 /nfs/dbraw/zinc/30/52/17/1169305217.db2.gz LHGDYHHXVSLGGT-UHFFFAOYSA-N -1 1 313.325 0.364 20 0 DCADMM CC(C)n1ncnc1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603436023 1169305226 /nfs/dbraw/zinc/30/52/26/1169305226.db2.gz LHGDYHHXVSLGGT-UHFFFAOYSA-N -1 1 313.325 0.364 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001603520781 1169316610 /nfs/dbraw/zinc/31/66/10/1169316610.db2.gz JXNYCHHAGFWJCG-VIFPVBQESA-N -1 1 318.385 0.644 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001603520781 1169316618 /nfs/dbraw/zinc/31/66/18/1169316618.db2.gz JXNYCHHAGFWJCG-VIFPVBQESA-N -1 1 318.385 0.644 20 0 DCADMM C[C@@H](Cn1cccn1)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603591211 1169331230 /nfs/dbraw/zinc/33/12/30/1169331230.db2.gz ZTWIOMOKWLSEKN-JTQLQIEISA-N -1 1 313.321 0.633 20 0 DCADMM C[C@@H](Cn1cccn1)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603591211 1169331234 /nfs/dbraw/zinc/33/12/34/1169331234.db2.gz ZTWIOMOKWLSEKN-JTQLQIEISA-N -1 1 313.321 0.633 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCOC1 ZINC001603617081 1169333892 /nfs/dbraw/zinc/33/38/92/1169333892.db2.gz CCSHRZHGBPHUEF-MWLCHTKSSA-N -1 1 302.338 0.345 20 0 DCADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCOC1 ZINC001603617081 1169333902 /nfs/dbraw/zinc/33/39/02/1169333902.db2.gz CCSHRZHGBPHUEF-MWLCHTKSSA-N -1 1 302.338 0.345 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1nccn1C ZINC001603675115 1169349996 /nfs/dbraw/zinc/34/99/96/1169349996.db2.gz FZLHCAMSWCTZIP-SSDOTTSWSA-N -1 1 323.338 0.233 20 0 DCADMM CC(C)(NS(=O)(=O)c1ncc[nH]1)c1cc(C(=O)[O-])on1 ZINC001603685677 1169350083 /nfs/dbraw/zinc/35/00/83/1169350083.db2.gz KPYYUTKUQIOAEV-UHFFFAOYSA-N -1 1 300.296 0.310 20 0 DCADMM C[C@@](O)(CNC(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001603690571 1169353841 /nfs/dbraw/zinc/35/38/41/1169353841.db2.gz LVVPMJFEUXAYHU-GFCCVEGCSA-N -1 1 323.382 0.283 20 0 DCADMM C[C@@](O)(CNC(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001603690571 1169353851 /nfs/dbraw/zinc/35/38/51/1169353851.db2.gz LVVPMJFEUXAYHU-GFCCVEGCSA-N -1 1 323.382 0.283 20 0 DCADMM C[C@@](O)(CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001603690909 1169354829 /nfs/dbraw/zinc/35/48/29/1169354829.db2.gz QUUCKENFYIVSSO-CYBMUJFWSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@@](O)(CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001603690909 1169354838 /nfs/dbraw/zinc/35/48/38/1169354838.db2.gz QUUCKENFYIVSSO-CYBMUJFWSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@H](OCC1CC1)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001603711023 1169370279 /nfs/dbraw/zinc/37/02/79/1169370279.db2.gz VUNQEPSRWBGPDU-VIFPVBQESA-N -1 1 302.338 0.693 20 0 DCADMM C[C@H](OCC1CC1)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001603711023 1169370283 /nfs/dbraw/zinc/37/02/83/1169370283.db2.gz VUNQEPSRWBGPDU-VIFPVBQESA-N -1 1 302.338 0.693 20 0 DCADMM C[C@@H](Sc1cccc(F)c1-c1nn[n-]n1)C(=O)NC(N)=O ZINC001603720664 1169371914 /nfs/dbraw/zinc/37/19/14/1169371914.db2.gz QZAXFDRUSBLGEY-RXMQYKEDSA-N -1 1 310.314 0.681 20 0 DCADMM CC1(C)CC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603771697 1169383927 /nfs/dbraw/zinc/38/39/27/1169383927.db2.gz DKTINMAEQQYIBV-VIFPVBQESA-N -1 1 315.337 0.505 20 0 DCADMM CC1(C)CC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603771697 1169383935 /nfs/dbraw/zinc/38/39/35/1169383935.db2.gz DKTINMAEQQYIBV-VIFPVBQESA-N -1 1 315.337 0.505 20 0 DCADMM CC1(C)OC[C@@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)O1 ZINC001603794048 1169393304 /nfs/dbraw/zinc/39/33/04/1169393304.db2.gz CZOXNQLUKJIXCF-SNVBAGLBSA-N -1 1 318.337 0.072 20 0 DCADMM CC1(C)OC[C@@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)O1 ZINC001603794048 1169393319 /nfs/dbraw/zinc/39/33/19/1169393319.db2.gz CZOXNQLUKJIXCF-SNVBAGLBSA-N -1 1 318.337 0.072 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001603865698 1169416813 /nfs/dbraw/zinc/41/68/13/1169416813.db2.gz VWWYBPFICQNQIZ-LTFJCZIQSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001603865698 1169416818 /nfs/dbraw/zinc/41/68/18/1169416818.db2.gz VWWYBPFICQNQIZ-LTFJCZIQSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]1C ZINC001603902119 1169427149 /nfs/dbraw/zinc/42/71/49/1169427149.db2.gz TVXBBGZDLKIYGG-BDAKNGLRSA-N -1 1 315.337 0.457 20 0 DCADMM C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]1C ZINC001603902119 1169427153 /nfs/dbraw/zinc/42/71/53/1169427153.db2.gz 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CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001604492517 1169604274 /nfs/dbraw/zinc/60/42/74/1169604274.db2.gz KKJRAXYJWFHTLE-KOLCDFICSA-N -1 1 324.366 0.108 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(OC(C)=O)CC2)n1 ZINC001604544115 1169612454 /nfs/dbraw/zinc/61/24/54/1169612454.db2.gz DGSGQYQSBGVZOS-UHFFFAOYSA-N -1 1 317.353 0.751 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(OC(C)=O)CC2)n1 ZINC001604544115 1169612456 /nfs/dbraw/zinc/61/24/56/1169612456.db2.gz DGSGQYQSBGVZOS-UHFFFAOYSA-N -1 1 317.353 0.751 20 0 DCADMM CC1(C)[C@@H]2CC[C@@]1(C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])C(=O)C2 ZINC001604560925 1169617182 /nfs/dbraw/zinc/61/71/82/1169617182.db2.gz ORRBOJIBSOQGSP-RBIVETJNSA-N -1 1 319.361 0.917 20 0 DCADMM CCc1nc(NCCN2CCOC[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001604567150 1169618650 /nfs/dbraw/zinc/61/86/50/1169618650.db2.gz AOTDEGHNCYECPU-SNVBAGLBSA-N -1 1 318.385 0.352 20 0 DCADMM CCc1nc(NCCc2cncc(C)n2)cc(-c2nnn[n-]2)n1 ZINC001604568192 1169619107 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COC(=O)c1ccc(N2CCSCC2)c(-c2nn[n-]n2)n1 ZINC001604972724 1169768415 /nfs/dbraw/zinc/76/84/15/1169768415.db2.gz CWNQBILDGHOEIV-UHFFFAOYSA-N -1 1 306.351 0.602 20 0 DCADMM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001605011927 1169778470 /nfs/dbraw/zinc/77/84/70/1169778470.db2.gz KUFSFSPVUYDZOM-SNVBAGLBSA-N -1 1 322.365 0.433 20 0 DCADMM CO[C@H](Cn1ccc(C)c(-c2nn[n-]n2)c1=O)[C@H]1CCOC1 ZINC001605012608 1169779247 /nfs/dbraw/zinc/77/92/47/1169779247.db2.gz PPYDPDNEKYFGKY-WDEREUQCSA-N -1 1 305.338 0.388 20 0 DCADMM CO[C@H]1CCC[C@@H](C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001605030958 1169786783 /nfs/dbraw/zinc/78/67/83/1169786783.db2.gz XGQLHXCVQJEWGX-BDAKNGLRSA-N -1 1 305.342 0.744 20 0 DCADMM CO[C@H]1CCC[C@@H](C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001605030958 1169786788 /nfs/dbraw/zinc/78/67/88/1169786788.db2.gz XGQLHXCVQJEWGX-BDAKNGLRSA-N -1 1 305.342 0.744 20 0 DCADMM CO[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001605029201 1169787402 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C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)F ZINC001605400136 1169911966 /nfs/dbraw/zinc/91/19/66/1169911966.db2.gz QRZXJDJIBAHEDN-ZETCQYMHSA-N -1 1 308.321 0.321 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)F ZINC001605400136 1169911976 /nfs/dbraw/zinc/91/19/76/1169911976.db2.gz QRZXJDJIBAHEDN-ZETCQYMHSA-N -1 1 308.321 0.321 20 0 DCADMM CC[NH+](CC)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001605434928 1169920371 /nfs/dbraw/zinc/92/03/71/1169920371.db2.gz KNYQJWLYCOUATL-MRVPVSSYSA-N -1 1 305.356 0.381 20 0 DCADMM CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001605479250 1169935042 /nfs/dbraw/zinc/93/50/42/1169935042.db2.gz YFWIXWRTLZWMAG-VIFPVBQESA-N -1 1 316.383 0.261 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1COC[C@H]1C ZINC001605510612 1169942924 /nfs/dbraw/zinc/94/29/24/1169942924.db2.gz SBRWDZRNBTXJAI-APPZFPTMSA-N -1 1 304.310 0.040 20 0 DCADMM CCOC(=O)CCN(CN1C[C@@H](C(=O)[O-])CC1=O)C(C)C ZINC001605537052 1169952483 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Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C3CCC3)C2=O)n1 ZINC001605572456 1169962265 /nfs/dbraw/zinc/96/22/65/1169962265.db2.gz GXGDMUNGCUSRIB-JTQLQIEISA-N -1 1 314.353 0.530 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C3CCC3)C2=O)n1 ZINC001605572456 1169962269 /nfs/dbraw/zinc/96/22/69/1169962269.db2.gz GXGDMUNGCUSRIB-JTQLQIEISA-N -1 1 314.353 0.530 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](CO)C[C@H]2CCCO2)n1 ZINC001605568393 1169962478 /nfs/dbraw/zinc/96/24/78/1169962478.db2.gz JPVNHRODQYBMKE-VHSXEESVSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](CO)C[C@H]2CCCO2)n1 ZINC001605568393 1169962480 /nfs/dbraw/zinc/96/24/80/1169962480.db2.gz JPVNHRODQYBMKE-VHSXEESVSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1cc(-c2noc([C@@H](C)n3cnc(-c4nn[n-]n4)n3)n2)ccn1 ZINC001605585134 1169965775 /nfs/dbraw/zinc/96/57/75/1169965775.db2.gz LMQFWRDTWIIMMG-MRVPVSSYSA-N -1 1 324.308 0.821 20 0 DCADMM CCOCCNC(=O)CN[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC001605637009 1169979379 /nfs/dbraw/zinc/97/93/79/1169979379.db2.gz JBONSORQAWYARQ-BZPMIXESSA-N -1 1 316.398 0.387 20 0 DCADMM Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@H](O)CO)c2c1 ZINC001605644948 1169981213 /nfs/dbraw/zinc/98/12/13/1169981213.db2.gz UCCCOQBERSDCOF-JTQLQIEISA-N -1 1 314.349 0.219 20 0 DCADMM Cc1cc(NC[C@H]2CCCS2(=O)=O)nc(-c2nnn[n-]2)c1 ZINC001605732826 1169995502 /nfs/dbraw/zinc/99/55/02/1169995502.db2.gz WIIWKQYBMVVYCJ-SECBINFHSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1cc(NC[C@H]2CCCS2(=O)=O)nc(-c2nn[n-]n2)c1 ZINC001605732826 1169995506 /nfs/dbraw/zinc/99/55/06/1169995506.db2.gz WIIWKQYBMVVYCJ-SECBINFHSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 ZINC001605802708 1170005249 /nfs/dbraw/zinc/00/52/49/1170005249.db2.gz DHZVQXOHNKLZNX-NXEZZACHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 ZINC001605802708 1170005251 /nfs/dbraw/zinc/00/52/51/1170005251.db2.gz DHZVQXOHNKLZNX-NXEZZACHSA-N -1 1 322.394 0.582 20 0 DCADMM Cc1ccc(CN(CCO)c2cnc(-c3nnn[n-]3)cn2)o1 ZINC001605846623 1170010965 /nfs/dbraw/zinc/01/09/65/1170010965.db2.gz OGNQZJGCVGUMBQ-UHFFFAOYSA-N -1 1 301.310 0.557 20 0 DCADMM Cc1ccc(CN(CCO)c2cnc(-c3nn[n-]n3)cn2)o1 ZINC001605846623 1170010974 /nfs/dbraw/zinc/01/09/74/1170010974.db2.gz OGNQZJGCVGUMBQ-UHFFFAOYSA-N -1 1 301.310 0.557 20 0 DCADMM CCc1ncc(CN2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])cn1 ZINC001605861206 1170015545 /nfs/dbraw/zinc/01/55/45/1170015545.db2.gz KVYUXXDJHYGJQJ-NEPJUHHUSA-N -1 1 307.350 0.877 20 0 DCADMM Cc1ccc(N2CC[S@@](=O)C[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605868124 1170018488 /nfs/dbraw/zinc/01/84/88/1170018488.db2.gz ZCINDRNQGQRYFL-AOUSDQRYSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1ccc(N2CC[S@@](=O)C[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605868124 1170018495 /nfs/dbraw/zinc/01/84/95/1170018495.db2.gz ZCINDRNQGQRYFL-AOUSDQRYSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1ccn(CN(C)Cc2cnn(C)c2)c(=O)c1-c1nn[n-]n1 ZINC001605949996 1170032744 /nfs/dbraw/zinc/03/27/44/1170032744.db2.gz VTUVULJTLAPUDF-UHFFFAOYSA-N -1 1 314.353 0.160 20 0 DCADMM Cc1cnn([C@H]2CCN(C(=O)c3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC001605988913 1170042945 /nfs/dbraw/zinc/04/29/45/1170042945.db2.gz ADZNODDHMQLFPV-NSHDSACASA-N -1 1 324.348 0.854 20 0 DCADMM Cc1cnn([C@H]2CCN(C(=O)c3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC001605988913 1170042949 /nfs/dbraw/zinc/04/29/49/1170042949.db2.gz ADZNODDHMQLFPV-NSHDSACASA-N -1 1 324.348 0.854 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccnc(C3CC3)n2)c1-c1nn[n-]n1 ZINC001606014295 1170048532 /nfs/dbraw/zinc/04/85/32/1170048532.db2.gz GHFWTIXPSOFJDT-UHFFFAOYSA-N -1 1 311.309 0.818 20 0 DCADMM Cc1[nH]nc(NCc2nc(-c3nnn[n-]3)cs2)c1C(N)=O ZINC001606014414 1170048908 /nfs/dbraw/zinc/04/89/08/1170048908.db2.gz WWHQJMRAVVEROQ-UHFFFAOYSA-N -1 1 305.327 0.066 20 0 DCADMM Cc1[nH]nc(NCc2nc(-c3nn[n-]n3)cs2)c1C(N)=O ZINC001606014414 1170048922 /nfs/dbraw/zinc/04/89/22/1170048922.db2.gz WWHQJMRAVVEROQ-UHFFFAOYSA-N -1 1 305.327 0.066 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cc3n(n2)CCCC3)c1-c1nn[n-]n1 ZINC001606014727 1170050690 /nfs/dbraw/zinc/05/06/90/1170050690.db2.gz PJAOJESUQPNEEA-UHFFFAOYSA-N -1 1 313.325 0.683 20 0 DCADMM CN(C)Cc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1 ZINC001606033817 1170060943 /nfs/dbraw/zinc/06/09/43/1170060943.db2.gz MKFTWWRUSOZVND-CYBMUJFWSA-N -1 1 307.350 0.459 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ncccc2F)c1-c1nnn[n-]1 ZINC001606112780 1170079237 /nfs/dbraw/zinc/07/92/37/1170079237.db2.gz QBESQNAVUREZBC-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ncccc2F)c1-c1nn[n-]n1 ZINC001606112780 1170079245 /nfs/dbraw/zinc/07/92/45/1170079245.db2.gz QBESQNAVUREZBC-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1nsc(N(C)C(=O)Cc2cnn(C)c2)c1-c1nnn[n-]1 ZINC001606139911 1170091886 /nfs/dbraw/zinc/09/18/86/1170091886.db2.gz XSOVDYQBGNZXKQ-UHFFFAOYSA-N -1 1 318.366 0.571 20 0 DCADMM Cc1nsc(N(C)C(=O)Cc2cnn(C)c2)c1-c1nn[n-]n1 ZINC001606139911 1170091888 /nfs/dbraw/zinc/09/18/88/1170091888.db2.gz XSOVDYQBGNZXKQ-UHFFFAOYSA-N -1 1 318.366 0.571 20 0 DCADMM CN(Cc1cnc[nH]1)S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001606145602 1170094238 /nfs/dbraw/zinc/09/42/38/1170094238.db2.gz GJQSGONONFFCSI-UHFFFAOYSA-N -1 1 301.368 0.816 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](C)C[C@@H](C)O)c1-c1nnn[n-]1 ZINC001606152229 1170095651 /nfs/dbraw/zinc/09/56/51/1170095651.db2.gz SESPFIQZRXJXCT-NTSWFWBYSA-N -1 1 311.371 0.913 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](C)C[C@@H](C)O)c1-c1nn[n-]n1 ZINC001606152229 1170095657 /nfs/dbraw/zinc/09/56/57/1170095657.db2.gz SESPFIQZRXJXCT-NTSWFWBYSA-N -1 1 311.371 0.913 20 0 DCADMM Cc1nsc(NC(=O)N2CCO[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001606152729 1170096206 /nfs/dbraw/zinc/09/62/06/1170096206.db2.gz ZQHDIFFEYKGSQF-LURJTMIESA-N -1 1 309.355 0.884 20 0 DCADMM Cc1nsc(NC(=O)N2CCO[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001606152729 1170096210 /nfs/dbraw/zinc/09/62/10/1170096210.db2.gz ZQHDIFFEYKGSQF-LURJTMIESA-N -1 1 309.355 0.884 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H]1C1OCCO1 ZINC001606166113 1170097588 /nfs/dbraw/zinc/09/75/88/1170097588.db2.gz OEAPRGVPUYGEHU-JTQLQIEISA-N -1 1 319.321 0.746 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H]1C1OCCO1 ZINC001606166113 1170097591 /nfs/dbraw/zinc/09/75/91/1170097591.db2.gz OEAPRGVPUYGEHU-JTQLQIEISA-N -1 1 319.321 0.746 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCNC(=O)[C@@H]1C ZINC001606165255 1170097859 /nfs/dbraw/zinc/09/78/59/1170097859.db2.gz BNKSQZBLAYXVBE-ZETCQYMHSA-N -1 1 304.310 0.119 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCNC(=O)[C@@H]1C ZINC001606165255 1170097866 /nfs/dbraw/zinc/09/78/66/1170097866.db2.gz BNKSQZBLAYXVBE-ZETCQYMHSA-N -1 1 304.310 0.119 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1CC2(C1)OCCO2 ZINC001606167857 1170101202 /nfs/dbraw/zinc/10/12/02/1170101202.db2.gz YPOWRUCPDZWYAO-UHFFFAOYSA-N -1 1 319.321 0.651 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1CC2(C1)OCCO2 ZINC001606167857 1170101207 /nfs/dbraw/zinc/10/12/07/1170101207.db2.gz YPOWRUCPDZWYAO-UHFFFAOYSA-N -1 1 319.321 0.651 20 0 DCADMM CN(Cc1n[nH]c(=O)o1)C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001606175610 1170102838 /nfs/dbraw/zinc/10/28/38/1170102838.db2.gz NTNOIXSRSUKXCC-UHFFFAOYSA-N -1 1 309.282 0.109 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CS[C@H](C)C2)c1-c1nnn[n-]1 ZINC001606180092 1170103784 /nfs/dbraw/zinc/10/37/84/1170103784.db2.gz ZGQHEGGJTZXQTR-HTRCEHHLSA-N -1 1 308.367 0.716 20 0 DCADMM Cc1onc(CC(=O)N[C@H]2CS[C@H](C)C2)c1-c1nn[n-]n1 ZINC001606180092 1170103787 /nfs/dbraw/zinc/10/37/87/1170103787.db2.gz ZGQHEGGJTZXQTR-HTRCEHHLSA-N -1 1 308.367 0.716 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H]3CSC[C@@H]3C2)c1-c1nnn[n-]1 ZINC001606179898 1170105070 /nfs/dbraw/zinc/10/50/70/1170105070.db2.gz MWEKZLYHZIUIFP-DTORHVGOSA-N -1 1 320.378 0.527 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H]3CSC[C@@H]3C2)c1-c1nn[n-]n1 ZINC001606179898 1170105071 /nfs/dbraw/zinc/10/50/71/1170105071.db2.gz MWEKZLYHZIUIFP-DTORHVGOSA-N -1 1 320.378 0.527 20 0 DCADMM Clc1cc2c(nn1)CN(c1ncncc1-c1nn[n-]n1)CC2 ZINC001606188872 1170107759 /nfs/dbraw/zinc/10/77/59/1170107759.db2.gz FDUZZSPPHPVFMI-UHFFFAOYSA-N -1 1 315.728 0.663 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc3ncccc3o2)n1 ZINC001606222686 1170121701 /nfs/dbraw/zinc/12/17/01/1170121701.db2.gz OVABHHLGPFPTMX-UHFFFAOYSA-N -1 1 310.277 0.994 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc3ncccc3o2)n1 ZINC001606222686 1170121705 /nfs/dbraw/zinc/12/17/05/1170121705.db2.gz OVABHHLGPFPTMX-UHFFFAOYSA-N -1 1 310.277 0.994 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CC3(CSC3)C2)n1 ZINC001606223585 1170121772 /nfs/dbraw/zinc/12/17/72/1170121772.db2.gz VLJFBNVHKXSQRP-UHFFFAOYSA-N -1 1 320.382 0.617 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CC3(CSC3)C2)n1 ZINC001606223585 1170121776 /nfs/dbraw/zinc/12/17/76/1170121776.db2.gz VLJFBNVHKXSQRP-UHFFFAOYSA-N -1 1 320.382 0.617 20 0 DCADMM CN1CCCC[C@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606225061 1170123251 /nfs/dbraw/zinc/12/32/51/1170123251.db2.gz VZTZLCBZMIZGDT-PWSUYJOCSA-N -1 1 307.354 0.234 20 0 DCADMM CN1CCC[C@@H]1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606228749 1170126008 /nfs/dbraw/zinc/12/60/08/1170126008.db2.gz KAGQIYMFTJNZNL-CMPLNLGQSA-N -1 1 307.354 0.234 20 0 DCADMM CN1CCN(C(=O)c2cnn(C3CCC3)c2)C[C@@H](C(=O)[O-])C1 ZINC001606235852 1170130810 /nfs/dbraw/zinc/13/08/10/1170130810.db2.gz OTGONSGKJSSHGR-LBPRGKRZSA-N -1 1 306.366 0.697 20 0 DCADMM CN1CCN(C[C@@H](O)COc2ccccc2CC(=O)[O-])CC1 ZINC001606239438 1170132035 /nfs/dbraw/zinc/13/20/35/1170132035.db2.gz PXMJNCGCCKPYHR-CQSZACIVSA-N -1 1 308.378 0.301 20 0 DCADMM CN1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1(C)C ZINC001606239255 1170132595 /nfs/dbraw/zinc/13/25/95/1170132595.db2.gz LZHZFINPRAJLSY-UHFFFAOYSA-N -1 1 311.426 0.916 20 0 DCADMM CN1CCN(S(=O)(=O)CCC(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001606244493 1170133825 /nfs/dbraw/zinc/13/38/25/1170133825.db2.gz FDXONKLTUAIIAJ-MRVPVSSYSA-N -1 1 318.317 0.217 20 0 DCADMM Cn1cnnc1CCCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001606265492 1170140558 /nfs/dbraw/zinc/14/05/58/1170140558.db2.gz CKGSLZKMUSMKPE-UHFFFAOYSA-N -1 1 318.366 0.419 20 0 DCADMM Cn1cnnc1CCCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001606265492 1170140559 /nfs/dbraw/zinc/14/05/59/1170140559.db2.gz CKGSLZKMUSMKPE-UHFFFAOYSA-N -1 1 318.366 0.419 20 0 DCADMM CNc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)nc1 ZINC001606309844 1170157023 /nfs/dbraw/zinc/15/70/23/1170157023.db2.gz ADQUHARDGATMIS-NSHDSACASA-N -1 1 306.366 0.744 20 0 DCADMM COC(=O)[C@@H]1C[C@H](O)CN(CCOc2ccccc2C(=O)[O-])C1 ZINC001606379036 1170176086 /nfs/dbraw/zinc/17/60/86/1170176086.db2.gz ZMEYGWGXHLWASR-NEPJUHHUSA-N -1 1 323.345 0.619 20 0 DCADMM COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1CCC1OCCCO1 ZINC001606387350 1170178319 /nfs/dbraw/zinc/17/83/19/1170178319.db2.gz UBDRFDUDFQTNHN-WDEREUQCSA-N -1 1 301.339 0.478 20 0 DCADMM NC(=O)CCC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606412525 1170191570 /nfs/dbraw/zinc/19/15/70/1170191570.db2.gz AEZHARZJVOMRBV-UHFFFAOYSA-N -1 1 310.264 0.027 20 0 DCADMM NC(=O)CCC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606412525 1170191573 /nfs/dbraw/zinc/19/15/73/1170191573.db2.gz AEZHARZJVOMRBV-UHFFFAOYSA-N -1 1 310.264 0.027 20 0 DCADMM 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320.332 0.491 20 0 DCADMM O=C(CCCF)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001606518350 1170227163 /nfs/dbraw/zinc/22/71/63/1170227163.db2.gz YBEYMJFKQPRTEN-OWOJBTEDSA-N -1 1 320.332 0.491 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCCSCC1 ZINC001606594846 1170239494 /nfs/dbraw/zinc/23/94/94/1170239494.db2.gz OFBRDTVYMIQLED-UHFFFAOYSA-N -1 1 304.379 0.770 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCCSCC1 ZINC001606594846 1170239499 /nfs/dbraw/zinc/23/94/99/1170239499.db2.gz OFBRDTVYMIQLED-UHFFFAOYSA-N -1 1 304.379 0.770 20 0 DCADMM O=C(Cn1cnnc1-c1nn[n-]n1)NCCC1=CCCCC1 ZINC001606623768 1170247061 /nfs/dbraw/zinc/24/70/61/1170247061.db2.gz GJHMBJISNIYVQE-UHFFFAOYSA-N -1 1 302.342 0.465 20 0 DCADMM O=C(N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(-c2nnn[n-]2)nc1 ZINC001606648472 1170251429 /nfs/dbraw/zinc/25/14/29/1170251429.db2.gz UTXMYKXCNQXWQS-BSFRTMCYSA-N -1 1 312.333 0.415 20 0 DCADMM O=C(N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(-c2nn[n-]n2)nc1 ZINC001606648472 1170251431 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C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](C)[C@@H](C)O1 ZINC001609171442 1170841139 /nfs/dbraw/zinc/84/11/39/1170841139.db2.gz HCWZKZLKMITKOH-OPRDCNLKSA-N -1 1 302.338 0.900 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ncn2)C[C@H](C(F)(F)F)O1 ZINC001609175217 1170844600 /nfs/dbraw/zinc/84/46/00/1170844600.db2.gz KMGDUHLXHSATDC-HTRCEHHLSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ncn2)C[C@H](C(F)(F)F)O1 ZINC001609175217 1170844609 /nfs/dbraw/zinc/84/46/09/1170844609.db2.gz KMGDUHLXHSATDC-HTRCEHHLSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1nccnc1-c1nnn[n-]1)C[C@@H](C)O2 ZINC001609175963 1170848279 /nfs/dbraw/zinc/84/82/79/1170848279.db2.gz FFQCDNORIZJRJM-ISTVAULSSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1nccnc1-c1nn[n-]n1)C[C@@H](C)O2 ZINC001609175963 1170848287 /nfs/dbraw/zinc/84/82/87/1170848287.db2.gz FFQCDNORIZJRJM-ISTVAULSSA-N -1 1 317.353 0.429 20 0 DCADMM CC[C@](NC(=O)c1cc(-c2nnn[n-]2)oc1C)(C(N)=O)C(C)C ZINC001609192253 1170858644 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CCN(CCNCc1oc(C)nc1C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596339725 983784744 /nfs/dbraw/zinc/78/47/44/983784744.db2.gz OWSLGKWMSJQBLZ-RYUDHWBXSA-N -1 1 309.366 0.950 20 0 DCADMM CCN1C(=O)[C@@H]2CN(C[C@H]3CC(C(=O)[O-])=C(C)O3)CCN2C1=O ZINC001596389710 983921605 /nfs/dbraw/zinc/92/16/05/983921605.db2.gz LSYWLLAFRQWOST-PWSUYJOCSA-N -1 1 323.349 0.102 20 0 DCADMM CCN1C[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C(C)(C)C1 ZINC001596402434 983956271 /nfs/dbraw/zinc/95/62/71/983956271.db2.gz NMXMJEHUWIFEOR-SECBINFHSA-N -1 1 316.383 0.117 20 0 DCADMM CCN1CC[C@@H](N[C@H](Cc2cccc(OC)c2)C(=O)[O-])C1=O ZINC001596409442 983992529 /nfs/dbraw/zinc/99/25/29/983992529.db2.gz CEOJHOOEDNXUQB-ZIAGYGMSSA-N -1 1 306.362 0.901 20 0 DCADMM CCNC(=O)C(C)(C)NCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC ZINC001596450819 984155551 /nfs/dbraw/zinc/15/55/51/984155551.db2.gz ZRZHYHQPZDHQFY-GXSJLCMTSA-N -1 1 301.387 0.106 20 0 DCADMM CCNCc1cn(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)nn1 ZINC001596494758 984238523 /nfs/dbraw/zinc/23/85/23/984238523.db2.gz WSQDIZBOWODHRV-CYBMUJFWSA-N -1 1 320.349 0.526 20 0 DCADMM CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001596516399 984298821 /nfs/dbraw/zinc/29/88/21/984298821.db2.gz MFBXILALTALSAE-BQBZGAKWSA-N -1 1 320.323 0.239 20 0 DCADMM CC(C)OCC(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001450312551 1015040415 /nfs/dbraw/zinc/04/04/15/1015040415.db2.gz QUDSMLYBARAATE-NSHDSACASA-N -1 1 321.377 0.789 20 0 DCADMM C/C(=C/CN1CCC[C@H](N2CCCS2(=O)=O)C1)C(=O)[O-] ZINC001588959527 984725595 /nfs/dbraw/zinc/72/55/95/984725595.db2.gz MBYSUXFSWKJWKP-QJGQKNTRSA-N -1 1 302.396 0.517 20 0 DCADMM C/C(=C\CNC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)C(=O)[O-] ZINC001588968483 984776169 /nfs/dbraw/zinc/77/61/69/984776169.db2.gz MNSKQBKNLWUFMP-PUZDAVHHSA-N -1 1 311.382 0.258 20 0 DCADMM C/C(=C/COC(=O)c1ccc(NS(C)(=O)=O)nc1)C(=O)[O-] ZINC001588992372 984919566 /nfs/dbraw/zinc/91/95/66/984919566.db2.gz ZGTRGNLWMOSHPT-YVMONPNESA-N -1 1 314.319 0.641 20 0 DCADMM CC(=O)N[C@H](C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])C1CCCC1 ZINC001589100255 985311389 /nfs/dbraw/zinc/31/13/89/985311389.db2.gz IASSAZNILCYHNF-OLZOCXBDSA-N -1 1 322.365 0.217 20 0 DCADMM CCOCC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001384138507 985388077 /nfs/dbraw/zinc/38/80/77/985388077.db2.gz RNLCBFOAKNLYGK-VXGBXAGGSA-N -1 1 321.377 0.933 20 0 DCADMM CCO[C@@H]1C[C@@](NCc2ncnn2CCF)(C(=O)[O-])C1(C)C ZINC001596838777 985510569 /nfs/dbraw/zinc/51/05/69/985510569.db2.gz VIJQPEHDWWIHMF-QMTHXVAHSA-N -1 1 314.361 0.996 20 0 DCADMM COCCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)c1ncccc1[O-] ZINC001384386990 985541972 /nfs/dbraw/zinc/54/19/72/985541972.db2.gz WYNVQQKKQYNHMJ-VXGBXAGGSA-N -1 1 321.377 0.648 20 0 DCADMM C[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCN1CCC(=O)[O-] ZINC001594486071 985561172 /nfs/dbraw/zinc/56/11/72/985561172.db2.gz IHZTVUKUGHZJPG-PWNZVWSESA-N -1 1 310.394 0.809 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)CCN1CCC(=O)[O-] ZINC001594494295 985624271 /nfs/dbraw/zinc/62/42/71/985624271.db2.gz OILAUCFLESJMEI-SNVBAGLBSA-N -1 1 317.349 0.579 20 0 DCADMM C[C@H]1CN(C(=O)c2cn(C)nc2C2CC2)CCN1CCC(=O)[O-] ZINC001594495477 985632644 /nfs/dbraw/zinc/63/26/44/985632644.db2.gz APSFOESYCDRYBP-NSHDSACASA-N -1 1 320.393 0.919 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Cn1cc(C2CC2)cn1 ZINC001594516286 985897569 /nfs/dbraw/zinc/89/75/69/985897569.db2.gz NPMHAFKKNFKBSO-GFCCVEGCSA-N -1 1 320.393 0.768 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1CCCOCC1 ZINC001594517037 985924241 /nfs/dbraw/zinc/92/42/41/985924241.db2.gz YQLDLZYEMOARSU-CHWSQXEVSA-N -1 1 313.398 0.746 20 0 DCADMM CCOCCC[N@@H+](Cc1nc(=O)n(C)[n-]1)C[C@@H](C)C(=O)[O-] ZINC001596914948 985935679 /nfs/dbraw/zinc/93/56/79/985935679.db2.gz MCMVQYDDSGDFPR-SNVBAGLBSA-N -1 1 300.359 0.058 20 0 DCADMM CCOCCC[N@H+](Cc1nc(=O)n(C)[n-]1)C[C@@H](C)C(=O)[O-] ZINC001596914948 985935691 /nfs/dbraw/zinc/93/56/91/985935691.db2.gz MCMVQYDDSGDFPR-SNVBAGLBSA-N -1 1 300.359 0.058 20 0 DCADMM C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCN(CC(=O)[O-])CC1 ZINC001589344132 986276708 /nfs/dbraw/zinc/27/67/08/986276708.db2.gz YRLOFCPMGKQWTI-MELADBBJSA-N -1 1 311.426 0.867 20 0 DCADMM CO[C@@H](C)C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385365350 986295456 /nfs/dbraw/zinc/29/54/56/986295456.db2.gz JMLPVYARVSZTJN-JTQLQIEISA-N -1 1 307.350 0.543 20 0 DCADMM C[C@@H]1CN[C@@H](C)CN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001594557477 986305509 /nfs/dbraw/zinc/30/55/09/986305509.db2.gz ZZUPKEJUDHMKNW-WDEREUQCSA-N -1 1 312.391 0.685 20 0 DCADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H](n2cncn2)C1 ZINC001589351410 986318220 /nfs/dbraw/zinc/31/82/20/986318220.db2.gz ZJJALODEMIOPGM-DGCLKSJQSA-N -1 1 321.381 0.237 20 0 DCADMM C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001594584379 986461209 /nfs/dbraw/zinc/46/12/09/986461209.db2.gz FTZKGLZPYKTNLC-IUODEOHRSA-N -1 1 317.389 0.432 20 0 DCADMM C[C@@H]1CN2CCN1C[C@@H]2C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001594584965 986470791 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OFBFRZCNKBDUQE-SECBINFHSA-N -1 1 317.349 0.757 20 0 DCADMM CCC[C@@H](OC)C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001386746260 987363521 /nfs/dbraw/zinc/36/35/21/987363521.db2.gz YWIUQKSGSLBFCH-CMPLNLGQSA-N -1 1 309.366 0.837 20 0 DCADMM C[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)[C@H]1C[C@@H]1C ZINC001386780361 987392664 /nfs/dbraw/zinc/39/26/64/987392664.db2.gz GWSKZYRDYCOYTG-QXEWZRGKSA-N -1 1 318.377 0.950 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)CCNC(=O)c2ncccc2[O-])c1C ZINC001386852774 987453197 /nfs/dbraw/zinc/45/31/97/987453197.db2.gz REVSRIJBKYSEBP-UHFFFAOYSA-N -1 1 317.349 0.629 20 0 DCADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cnn(C3CC3)c2N)CC1 ZINC001589628363 987527993 /nfs/dbraw/zinc/52/79/93/987527993.db2.gz GXDSODFYDBVQCV-UHFFFAOYSA-N -1 1 321.381 0.421 20 0 DCADMM CCc1[nH]c(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)cc1C(=O)[O-] ZINC001597395109 987644992 /nfs/dbraw/zinc/64/49/92/987644992.db2.gz NIBSKSBWTUUMDO-PRHODGIISA-N -1 1 300.380 0.941 20 0 DCADMM CCc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)nn1C 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COC[C@@H](NC(=O)[C@@H]1Cc2ccc(Cl)cc21)c1nn[n-]n1 ZINC001455725686 1009931820 /nfs/dbraw/zinc/93/18/20/1009931820.db2.gz BBPYNZCEDFPHQX-GHMZBOCLSA-N -1 1 307.741 0.997 20 0 DCADMM COC[C@H](NC(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1)c1nn[n-]n1 ZINC001455730547 1009934410 /nfs/dbraw/zinc/93/44/10/1009934410.db2.gz SCOVYBIGIOALEZ-WXHSDQCUSA-N -1 1 319.365 0.476 20 0 DCADMM Cc1noc(C[N-]S(=O)(=O)C[C@H]2CC[C@H](C3CC3)O2)n1 ZINC001475271490 1017081960 /nfs/dbraw/zinc/08/19/60/1017081960.db2.gz BSLKYWRVPOWOPQ-GHMZBOCLSA-N -1 1 301.368 0.755 20 0 DCADMM C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1nnc2ccccn21 ZINC001434546304 1010071695 /nfs/dbraw/zinc/07/16/95/1010071695.db2.gz NISKCOCMNPYLGO-QMMMGPOBSA-N -1 1 317.396 0.352 20 0 DCADMM CC(C)c1nnc2n1CCN(C(=O)CCc1nn[n-]n1)[C@H]2C ZINC001456091084 1010090681 /nfs/dbraw/zinc/09/06/81/1010090681.db2.gz CXWYGHHBPNNCLP-VIFPVBQESA-N -1 1 304.358 0.451 20 0 DCADMM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001434578813 1010114225 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CC[C@H](C)C(=O)N(CCN(C)Cc1nc(=O)n(C)[n-]1)C(C)C ZINC001423556518 1011256729 /nfs/dbraw/zinc/25/67/29/1011256729.db2.gz NIHLTLSTYHWIRY-LBPRGKRZSA-N -1 1 311.430 0.823 20 0 DCADMM CC1CC(C(=O)NC[C@@H](O)CNC(=O)c2ncccc2[O-])C1 ZINC001533228817 1011260192 /nfs/dbraw/zinc/26/01/92/1011260192.db2.gz LEKLECNEYHOUCO-VQXHTEKXSA-N -1 1 307.350 0.040 20 0 DCADMM COc1nscc1S(=O)(=O)[N-]C[C@@H](O)C1CCOCC1 ZINC001423723253 1011452216 /nfs/dbraw/zinc/45/22/16/1011452216.db2.gz UWGVWJHGAUANPJ-SECBINFHSA-N -1 1 322.408 0.218 20 0 DCADMM CCc1cc(=O)n2[n-]c(NC(=O)COc3ccccc3)nc2n1 ZINC001533839145 1011502444 /nfs/dbraw/zinc/50/24/44/1011502444.db2.gz KEKFUTQVUNMLMV-UHFFFAOYSA-N -1 1 313.317 0.998 20 0 DCADMM CCN(CCNC(=O)c1nonc1C)C(=O)c1ncccc1[O-] ZINC001431657532 1011512461 /nfs/dbraw/zinc/51/24/61/1011512461.db2.gz MDAPSKJAUTXQOY-UHFFFAOYSA-N -1 1 319.321 0.371 20 0 DCADMM CC(=O)c1cn(C2CN(C(=O)c3ncc(C)cc3[O-])C2)nn1 ZINC001456991255 1011554664 /nfs/dbraw/zinc/55/46/64/1011554664.db2.gz 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DCADMM C[C@@H]1CO[C@@H](C(=O)NCC2(NC(=O)c3ncccc3[O-])CC2)C1 ZINC001432265853 1012226568 /nfs/dbraw/zinc/22/65/68/1012226568.db2.gz AONWMLPNFYPNPC-CMPLNLGQSA-N -1 1 319.361 0.591 20 0 DCADMM C[C@H](CNC(=O)CCn1cc[n-]c(=O)c1=O)CC(F)(F)F ZINC001557057274 1012253852 /nfs/dbraw/zinc/25/38/52/1012253852.db2.gz UMMKAOZKMAXIKS-QMMMGPOBSA-N -1 1 307.272 0.631 20 0 DCADMM CC(C)[C@@H](O)C(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001458691172 1012296949 /nfs/dbraw/zinc/29/69/49/1012296949.db2.gz CCFGLYMVICXNDF-ZWNOBZJWSA-N -1 1 307.350 0.135 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1cccc2ncccc12 ZINC001558255323 1012338158 /nfs/dbraw/zinc/33/81/58/1012338158.db2.gz XNXPGCKWECOOPQ-UHFFFAOYSA-N -1 1 324.340 0.791 20 0 DCADMM COC[C@@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1nn[n-]n1 ZINC001558340048 1012348221 /nfs/dbraw/zinc/34/82/21/1012348221.db2.gz TZERYSPZYWVVJT-LLVKDONJSA-N -1 1 304.285 0.938 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCCCN1CCCCCC1=O ZINC001540526055 1012454613 /nfs/dbraw/zinc/45/46/13/1012454613.db2.gz 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C[C@H](CNC(=O)[C@]1(C)CCOC1)N(C)C(=O)c1ncccc1[O-] ZINC001509039529 1017159834 /nfs/dbraw/zinc/15/98/34/1017159834.db2.gz QZUNHHFRWOEDHC-BDJLRTHQSA-N -1 1 321.377 0.791 20 0 DCADMM CC(C)[C@@H](CCO)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479156134 1017424924 /nfs/dbraw/zinc/42/49/24/1017424924.db2.gz HRWIBLIKXLBXRZ-LLVKDONJSA-N -1 1 324.381 0.461 20 0 DCADMM CC(C)=CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC001506720693 1017475618 /nfs/dbraw/zinc/47/56/18/1017475618.db2.gz MICWBWIDSMTXSE-LLVKDONJSA-N -1 1 307.398 0.401 20 0 DCADMM CC(C)C(=O)NCCCOCCNC(=O)c1ncccc1[O-] ZINC001510291942 1017578982 /nfs/dbraw/zinc/57/89/82/1017578982.db2.gz KAVQZMDTMXIHLS-UHFFFAOYSA-N -1 1 309.366 0.696 20 0 DCADMM CC(C)=C(C)CC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001494580198 1017808150 /nfs/dbraw/zinc/80/81/50/1017808150.db2.gz SFDOSTRDKLNUHL-UHFFFAOYSA-N -1 1 307.398 0.403 20 0 DCADMM CN(C(=O)/C=C/C(C)(C)C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001494814208 1018058742 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/nfs/dbraw/zinc/54/97/43/606549743.db2.gz XPMMZKKGKSYGEW-UHFFFAOYSA-N -1 1 322.350 0.500 20 0 DCADMM O=C(NCCCN1CCOC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823192340 606549744 /nfs/dbraw/zinc/54/97/44/606549744.db2.gz XPMMZKKGKSYGEW-UHFFFAOYSA-N -1 1 322.350 0.500 20 0 DCADMM COCC[C@](C)(O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821685536 606579799 /nfs/dbraw/zinc/57/97/99/606579799.db2.gz HLTQURUTFDFQLN-LBPRGKRZSA-N -1 1 311.367 0.446 20 0 DCADMM COCC[C@](C)(O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821685536 606579800 /nfs/dbraw/zinc/57/98/00/606579800.db2.gz HLTQURUTFDFQLN-LBPRGKRZSA-N -1 1 311.367 0.446 20 0 DCADMM CCCC(=O)NCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821009391 606646979 /nfs/dbraw/zinc/64/69/79/606646979.db2.gz QIMKYJBQJAXIGY-UHFFFAOYSA-N -1 1 304.310 0.221 20 0 DCADMM CCCC(=O)NCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821009391 606646980 /nfs/dbraw/zinc/64/69/80/606646980.db2.gz QIMKYJBQJAXIGY-UHFFFAOYSA-N -1 1 304.310 0.221 20 0 DCADMM COC(=O)NCCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821664656 606647387 /nfs/dbraw/zinc/64/73/87/606647387.db2.gz DDHNYHXZRGEINX-UHFFFAOYSA-N -1 1 320.309 0.441 20 0 DCADMM COC(=O)NCCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821664656 606647388 /nfs/dbraw/zinc/64/73/88/606647388.db2.gz DDHNYHXZRGEINX-UHFFFAOYSA-N -1 1 320.309 0.441 20 0 DCADMM Cn1cc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000822674623 606649591 /nfs/dbraw/zinc/64/95/91/606649591.db2.gz YCIQDVCCKSYOBG-IHWYPQMZSA-N -1 1 311.305 0.752 20 0 DCADMM Cn1cc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000822674623 606649592 /nfs/dbraw/zinc/64/95/92/606649592.db2.gz YCIQDVCCKSYOBG-IHWYPQMZSA-N -1 1 311.305 0.752 20 0 DCADMM Cc1noc(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000822528234 606650590 /nfs/dbraw/zinc/65/05/90/606650590.db2.gz XXTODWBHAGWINP-UHFFFAOYSA-N -1 1 315.293 0.629 20 0 DCADMM Cc1noc(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000822528234 606650591 /nfs/dbraw/zinc/65/05/91/606650591.db2.gz XXTODWBHAGWINP-UHFFFAOYSA-N -1 1 315.293 0.629 20 0 DCADMM CCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821001613 606819984 /nfs/dbraw/zinc/81/99/84/606819984.db2.gz SAJUXAUGHBPVST-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821001613 606819985 /nfs/dbraw/zinc/81/99/85/606819985.db2.gz SAJUXAUGHBPVST-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM O[C@]12CCCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC000823698735 607033153 /nfs/dbraw/zinc/03/31/53/607033153.db2.gz QUULQUWOVJLWEF-HZMBPMFUSA-N -1 1 301.354 0.788 20 0 DCADMM O[C@]12CCCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC000823698735 607033154 /nfs/dbraw/zinc/03/31/54/607033154.db2.gz QUULQUWOVJLWEF-HZMBPMFUSA-N -1 1 301.354 0.788 20 0 DCADMM O=C(C[C@@H]1COC(=O)C1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822945418 607093140 /nfs/dbraw/zinc/09/31/40/607093140.db2.gz DPYYDQZUTOICJG-VIFPVBQESA-N -1 1 303.278 0.258 20 0 DCADMM O=C(C[C@@H]1COC(=O)C1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822945418 607093141 /nfs/dbraw/zinc/09/31/41/607093141.db2.gz DPYYDQZUTOICJG-VIFPVBQESA-N -1 1 303.278 0.258 20 0 DCADMM O=C(COc1cccnc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823055551 607110438 /nfs/dbraw/zinc/11/04/38/607110438.db2.gz QHSJMOIJYHOMAY-UHFFFAOYSA-N -1 1 303.307 0.736 20 0 DCADMM O=C(COc1cccnc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823055551 607110439 /nfs/dbraw/zinc/11/04/39/607110439.db2.gz QHSJMOIJYHOMAY-UHFFFAOYSA-N -1 1 303.307 0.736 20 0 DCADMM COCCC1(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821686542 607195070 /nfs/dbraw/zinc/19/50/70/607195070.db2.gz VJTISIMUCUGSQZ-UHFFFAOYSA-N -1 1 320.357 0.538 20 0 DCADMM COCCC1(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821686542 607195071 /nfs/dbraw/zinc/19/50/71/607195071.db2.gz VJTISIMUCUGSQZ-UHFFFAOYSA-N -1 1 320.357 0.538 20 0 DCADMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCCC[C@H]1C ZINC000821154079 607213429 /nfs/dbraw/zinc/21/34/29/607213429.db2.gz IWXDRDUVQHLSRN-MNOVXSKESA-N -1 1 318.385 0.885 20 0 DCADMM CCC[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821040867 607213567 /nfs/dbraw/zinc/21/35/67/607213567.db2.gz TZRRAQYFXCAAIV-GHMZBOCLSA-N -1 1 318.385 0.933 20 0 DCADMM CC(C)[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820037514 607217174 /nfs/dbraw/zinc/21/71/74/607217174.db2.gz CNCCJEQRTSSXAW-LLVKDONJSA-N -1 1 318.385 0.743 20 0 DCADMM C[C@@H]1CCC[C@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820697385 607217377 /nfs/dbraw/zinc/21/73/77/607217377.db2.gz GQYIDFSEIQQVQS-GHMZBOCLSA-N -1 1 318.385 0.791 20 0 DCADMM CC[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820978471 607217515 /nfs/dbraw/zinc/21/75/15/607217515.db2.gz BOJFKTCOBRBIGN-JTQLQIEISA-N -1 1 304.358 0.497 20 0 DCADMM CCC[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821040679 607222974 /nfs/dbraw/zinc/22/29/74/607222974.db2.gz PETDPQYJOQGRSZ-SNVBAGLBSA-N -1 1 304.358 0.497 20 0 DCADMM CCc1cccc(OC[C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000825722860 607868897 /nfs/dbraw/zinc/86/88/97/607868897.db2.gz MWHJYDIHFZWELP-NSHDSACASA-N -1 1 315.337 0.461 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CSC(=O)N1 ZINC000826482168 607999134 /nfs/dbraw/zinc/99/91/34/607999134.db2.gz UNTNQUIDUYDVEP-SSDOTTSWSA-N -1 1 306.307 0.336 20 0 DCADMM C[C@H](CO)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824441417 607999766 /nfs/dbraw/zinc/99/97/66/607999766.db2.gz QDPPGADQXGTZCV-SSDOTTSWSA-N -1 1 315.330 0.007 20 0 DCADMM C[C@H](CO)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824441417 607999767 /nfs/dbraw/zinc/99/97/67/607999767.db2.gz QDPPGADQXGTZCV-SSDOTTSWSA-N -1 1 315.330 0.007 20 0 DCADMM O=C(O[C@H]1CC(=O)N(C2CC2)C1)c1sccc1-c1nn[n-]n1 ZINC000826462256 608075924 /nfs/dbraw/zinc/07/59/24/608075924.db2.gz SMIISWLGLGPKTG-QMMMGPOBSA-N -1 1 319.346 0.848 20 0 DCADMM c1nc(-c2ccccn2)nn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826519235 608097545 /nfs/dbraw/zinc/09/75/45/608097545.db2.gz PNOJSSBIUCSINU-UHFFFAOYSA-N -1 1 305.305 0.964 20 0 DCADMM c1nc(-c2ccccn2)nn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826519235 608097546 /nfs/dbraw/zinc/09/75/46/608097546.db2.gz PNOJSSBIUCSINU-UHFFFAOYSA-N -1 1 305.305 0.964 20 0 DCADMM CNC(=O)[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826060136 608177003 /nfs/dbraw/zinc/17/70/03/608177003.db2.gz HPVXVYCVMFIWAY-RXMQYKEDSA-N -1 1 313.774 0.691 20 0 DCADMM CNC(=O)[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826060136 608177004 /nfs/dbraw/zinc/17/70/04/608177004.db2.gz HPVXVYCVMFIWAY-RXMQYKEDSA-N -1 1 313.774 0.691 20 0 DCADMM OC1(CNc2ccc(-c3nnn[n-]3)nn2)Cc2ccccc2C1 ZINC000826506559 608422464 /nfs/dbraw/zinc/42/24/64/608422464.db2.gz XCIHBEDZPXLGEE-UHFFFAOYSA-N -1 1 309.333 0.599 20 0 DCADMM OC1(CNc2ccc(-c3nn[n-]n3)nn2)Cc2ccccc2C1 ZINC000826506559 608422466 /nfs/dbraw/zinc/42/24/66/608422466.db2.gz XCIHBEDZPXLGEE-UHFFFAOYSA-N -1 1 309.333 0.599 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1=O ZINC000824899803 608425748 /nfs/dbraw/zinc/42/57/48/608425748.db2.gz OQUVZHNBLJVBPR-MRTMQBJTSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1=O ZINC000824899803 608425751 /nfs/dbraw/zinc/42/57/51/608425751.db2.gz OQUVZHNBLJVBPR-MRTMQBJTSA-N -1 1 300.326 0.078 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000826395948 608532937 /nfs/dbraw/zinc/53/29/37/608532937.db2.gz ZUYJKMXYDUOGGE-UHFFFAOYSA-N -1 1 322.292 0.119 20 0 DCADMM Cc1ccn2c(=O)cc(Cn3ccnc3-c3nnn[n-]3)nc2c1 ZINC000826308619 608890890 /nfs/dbraw/zinc/89/08/90/608890890.db2.gz HVZBUCQILMQMMP-UHFFFAOYSA-N -1 1 308.305 0.428 20 0 DCADMM Cc1ccn2c(=O)cc(Cn3ccnc3-c3nn[n-]n3)nc2c1 ZINC000826308619 608890893 /nfs/dbraw/zinc/89/08/93/608890893.db2.gz HVZBUCQILMQMMP-UHFFFAOYSA-N -1 1 308.305 0.428 20 0 DCADMM COc1nc(C)ccc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826221748 609234036 /nfs/dbraw/zinc/23/40/36/609234036.db2.gz SRFBDNQCMDFGQY-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1nc(C)ccc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826221748 609234037 /nfs/dbraw/zinc/23/40/37/609234037.db2.gz SRFBDNQCMDFGQY-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COCc1noc(COC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000826165616 609240410 /nfs/dbraw/zinc/24/04/10/609240410.db2.gz CAMPROZGNXRKTJ-UHFFFAOYSA-N -1 1 322.306 0.815 20 0 DCADMM COCc1noc(COC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000826165616 609240411 /nfs/dbraw/zinc/24/04/11/609240411.db2.gz CAMPROZGNXRKTJ-UHFFFAOYSA-N -1 1 322.306 0.815 20 0 DCADMM CC(C)Cn1ncnc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC000824284405 609429256 /nfs/dbraw/zinc/42/92/56/609429256.db2.gz HTPGTTIDTJEPTL-UHFFFAOYSA-N -1 1 300.326 0.324 20 0 DCADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)c1ncc[nH]1 ZINC000977674857 660417471 /nfs/dbraw/zinc/41/74/71/660417471.db2.gz CFZVGORNYCYZIX-SNVBAGLBSA-N -1 1 315.333 0.497 20 0 DCADMM CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2n[nH]c(=O)[n-]2)C1)[NH+](C)C ZINC001027578444 660467398 /nfs/dbraw/zinc/46/73/98/660467398.db2.gz KCMOWAKXNMNECM-RYUDHWBXSA-N -1 1 324.429 0.273 20 0 DCADMM CN1CCC[C@H]1C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000909386685 660507425 /nfs/dbraw/zinc/50/74/25/660507425.db2.gz FUQQYVPWLXXZLE-QWHCGFSZSA-N -1 1 310.325 0.868 20 0 DCADMM 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CN1CC[C@@H]1CNC(=O)Nc1ccn2ncc(C(=O)[O-])c2c1 ZINC001573882419 1163575348 /nfs/dbraw/zinc/57/53/48/1163575348.db2.gz AJLHGEABZZZAJK-SNVBAGLBSA-N -1 1 303.322 0.858 20 0 DCADMM CN1CC[C@H]1CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC001573883157 1163577002 /nfs/dbraw/zinc/57/70/02/1163577002.db2.gz PEWRHSUQPWJDOX-DJLDLDEBSA-N -1 1 309.288 0.595 20 0 DCADMM COC(=O)Cn1cc(CN2C3CCC(CC3)[C@H]2C(=O)[O-])nn1 ZINC001573922184 1163587122 /nfs/dbraw/zinc/58/71/22/1163587122.db2.gz GFPZULKXVQXLOH-OCTTZUBCSA-N -1 1 308.338 0.279 20 0 DCADMM CC(C)=CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573944161 1163595359 /nfs/dbraw/zinc/59/53/59/1163595359.db2.gz WKCSHSUKNAAJHJ-SNVBAGLBSA-N -1 1 314.353 0.318 20 0 DCADMM CC(C)=CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573944161 1163595363 /nfs/dbraw/zinc/59/53/63/1163595363.db2.gz WKCSHSUKNAAJHJ-SNVBAGLBSA-N -1 1 314.353 0.318 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573951468 1163599188 /nfs/dbraw/zinc/59/91/88/1163599188.db2.gz VCQSOCMGKVEJAN-SNVBAGLBSA-N -1 1 316.369 0.350 20 0 DCADMM CC(C)C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573951468 1163599195 /nfs/dbraw/zinc/59/91/95/1163599195.db2.gz VCQSOCMGKVEJAN-SNVBAGLBSA-N -1 1 316.369 0.350 20 0 DCADMM CC(C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573959514 1163604254 /nfs/dbraw/zinc/60/42/54/1163604254.db2.gz YPHKPIVVKMWKRM-LLVKDONJSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573959514 1163604263 /nfs/dbraw/zinc/60/42/63/1163604263.db2.gz YPHKPIVVKMWKRM-LLVKDONJSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573965630 1163608750 /nfs/dbraw/zinc/60/87/50/1163608750.db2.gz ZTFARUBNVMHYKD-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573965630 1163608759 /nfs/dbraw/zinc/60/87/59/1163608759.db2.gz ZTFARUBNVMHYKD-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573967116 1163609914 /nfs/dbraw/zinc/60/99/14/1163609914.db2.gz RYDOCGQONWKOEY-JTQLQIEISA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573967116 1163609919 /nfs/dbraw/zinc/60/99/19/1163609919.db2.gz RYDOCGQONWKOEY-JTQLQIEISA-N -1 1 316.369 0.619 20 0 DCADMM COc1cc(C(=O)N2CC[C@@H](c3[nH]ncc3C(=O)[O-])C2)ncn1 ZINC001574012097 1163624581 /nfs/dbraw/zinc/62/45/81/1163624581.db2.gz DUNVOZPSQHYGQF-MRVPVSSYSA-N -1 1 317.305 0.536 20 0 DCADMM CC(C)[C@@H](CNC(=O)C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574023323 1163625846 /nfs/dbraw/zinc/62/58/46/1163625846.db2.gz OFXXMPSGZFAYNR-SNVBAGLBSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)[C@@H](CNC(=O)C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574023323 1163625847 /nfs/dbraw/zinc/62/58/47/1163625847.db2.gz OFXXMPSGZFAYNR-SNVBAGLBSA-N -1 1 316.369 0.619 20 0 DCADMM Cc1[nH]c(C(=O)N(Cc2nn[nH]n2)CC(C)C)cc1C(=O)[O-] ZINC001574112933 1163639251 /nfs/dbraw/zinc/63/92/51/1163639251.db2.gz MRPDTQHRFSSIQJ-UHFFFAOYSA-N -1 1 306.326 0.833 20 0 DCADMM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001574264684 1163680804 /nfs/dbraw/zinc/68/08/04/1163680804.db2.gz JGWIWZNSHBPFDB-SECBINFHSA-N -1 1 318.337 0.589 20 0 DCADMM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001574264684 1163680808 /nfs/dbraw/zinc/68/08/08/1163680808.db2.gz JGWIWZNSHBPFDB-SECBINFHSA-N -1 1 318.337 0.589 20 0 DCADMM O=C([O-])N1CSC[C@@H]1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC001574293179 1163686079 /nfs/dbraw/zinc/68/60/79/1163686079.db2.gz WMMVAFUKJQXGPO-DTWKUNHWSA-N -1 1 311.367 0.564 20 0 DCADMM O=C([O-])[C@H]1c2ccoc2CCN1C(=O)CCCc1nn[nH]n1 ZINC001574357040 1163703064 /nfs/dbraw/zinc/70/30/64/1163703064.db2.gz MLOKNALJJPWPFK-GFCCVEGCSA-N -1 1 305.294 0.326 20 0 DCADMM O=C([O-])C[C@H](O)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC001574363003 1163705003 /nfs/dbraw/zinc/70/50/03/1163705003.db2.gz NNNCUAYZQWHYGS-ZJUUUORDSA-N -1 1 308.338 0.224 20 0 DCADMM O=C([O-])c1c[nH]nc1[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC001574415751 1163717483 /nfs/dbraw/zinc/71/74/83/1163717483.db2.gz XCVGHKCFUSRQQZ-MRVPVSSYSA-N -1 1 304.310 0.175 20 0 DCADMM O=C([O-])c1noc(CN2CCC[C@@H](CN3CCOCC3)C2)n1 ZINC001574428517 1163721759 /nfs/dbraw/zinc/72/17/59/1163721759.db2.gz ASSNKRNIZBZIQP-NSHDSACASA-N -1 1 310.354 0.312 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574829987 1163762501 /nfs/dbraw/zinc/76/25/01/1163762501.db2.gz OGWFQDDZAVKEFS-QMMMGPOBSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)C ZINC001574824442 1163762827 /nfs/dbraw/zinc/76/28/27/1163762827.db2.gz TXQATGFVGGBRAD-VIFPVBQESA-N -1 1 318.385 0.644 20 0 DCADMM C[C@@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)C ZINC001574824442 1163762832 /nfs/dbraw/zinc/76/28/32/1163762832.db2.gz TXQATGFVGGBRAD-VIFPVBQESA-N -1 1 318.385 0.644 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574839649 1163767151 /nfs/dbraw/zinc/76/71/51/1163767151.db2.gz FPFFFIWMJJBKOE-GZMMTYOYSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@@H](F)C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574839649 1163767154 /nfs/dbraw/zinc/76/71/54/1163767154.db2.gz FPFFFIWMJJBKOE-GZMMTYOYSA-N -1 1 322.348 0.567 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC1(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574861946 1163777195 /nfs/dbraw/zinc/77/71/95/1163777195.db2.gz PJPAJNNECGNDHI-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CC1(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574861946 1163777201 /nfs/dbraw/zinc/77/72/01/1163777201.db2.gz PJPAJNNECGNDHI-RKDXNWHRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)CC1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574898270 1163790040 /nfs/dbraw/zinc/79/00/40/1163790040.db2.gz UMKKUPGEKLUSSH-SECBINFHSA-N -1 1 316.369 0.185 20 0 DCADMM C[C@@H](CNC(=O)CC1(C)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574896590 1163790532 /nfs/dbraw/zinc/79/05/32/1163790532.db2.gz ZPCAMCNKEHFLNA-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)CC1(C)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574896590 1163790536 /nfs/dbraw/zinc/79/05/36/1163790536.db2.gz ZPCAMCNKEHFLNA-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(=O)NCc1ccccc1 ZINC001575444359 1164017334 /nfs/dbraw/zinc/01/73/34/1164017334.db2.gz KYWSIZSLALHQOJ-SNVBAGLBSA-N -1 1 324.348 0.774 20 0 DCADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(=O)NCc1ccccc1 ZINC001575444359 1164017341 /nfs/dbraw/zinc/01/73/41/1164017341.db2.gz KYWSIZSLALHQOJ-SNVBAGLBSA-N -1 1 324.348 0.774 20 0 DCADMM Cc1c[nH]cc1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001575794973 1164154120 /nfs/dbraw/zinc/15/41/20/1164154120.db2.gz OCLINRLDJCPLLG-UHFFFAOYSA-N -1 1 302.334 0.974 20 0 DCADMM C[C@@H](CNC(=O)C1CC(C)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575958741 1164192931 /nfs/dbraw/zinc/19/29/31/1164192931.db2.gz NZABPTUWQPFIGP-KYHHOPLUSA-N -1 1 316.369 0.041 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576402560 1164327478 /nfs/dbraw/zinc/32/74/78/1164327478.db2.gz XYNXOZZGQGFICG-NVDWLVSRSA-N -1 1 316.369 0.848 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576402560 1164327487 /nfs/dbraw/zinc/32/74/87/1164327487.db2.gz XYNXOZZGQGFICG-NVDWLVSRSA-N -1 1 316.369 0.848 20 0 DCADMM CCC(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001576411436 1164332265 /nfs/dbraw/zinc/33/22/65/1164332265.db2.gz LCKMIRVAWLGHJX-JTQLQIEISA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001576411436 1164332272 /nfs/dbraw/zinc/33/22/72/1164332272.db2.gz LCKMIRVAWLGHJX-JTQLQIEISA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576415462 1164334423 /nfs/dbraw/zinc/33/44/23/1164334423.db2.gz UFBHQVKLXZMVSJ-VIFPVBQESA-N -1 1 302.342 0.327 20 0 DCADMM CCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576415462 1164334431 /nfs/dbraw/zinc/33/44/31/1164334431.db2.gz UFBHQVKLXZMVSJ-VIFPVBQESA-N -1 1 302.342 0.327 20 0 DCADMM CCC(=O)N1CCC[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001576416238 1164336251 /nfs/dbraw/zinc/33/62/51/1164336251.db2.gz MCOAXHOLYUPIAJ-MRVPVSSYSA-N -1 1 318.341 0.177 20 0 DCADMM CCC(=O)N1CCC[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001576416238 1164336259 /nfs/dbraw/zinc/33/62/59/1164336259.db2.gz MCOAXHOLYUPIAJ-MRVPVSSYSA-N -1 1 318.341 0.177 20 0 DCADMM CCC(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576441032 1164345252 /nfs/dbraw/zinc/34/52/52/1164345252.db2.gz PJAPOKCCDMHULY-UHFFFAOYSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576441032 1164345259 /nfs/dbraw/zinc/34/52/59/1164345259.db2.gz PJAPOKCCDMHULY-UHFFFAOYSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576477823 1164358104 /nfs/dbraw/zinc/35/81/04/1164358104.db2.gz RUNVOKSHMVKHMQ-NXEZZACHSA-N -1 1 316.369 0.906 20 0 DCADMM CCC(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576477823 1164358110 /nfs/dbraw/zinc/35/81/10/1164358110.db2.gz RUNVOKSHMVKHMQ-NXEZZACHSA-N -1 1 316.369 0.906 20 0 DCADMM CC[C@H](C)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576559889 1164390579 /nfs/dbraw/zinc/39/05/79/1164390579.db2.gz DPMKDJRLBGKBGU-UWVGGRQHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576559889 1164390581 /nfs/dbraw/zinc/39/05/81/1164390581.db2.gz DPMKDJRLBGKBGU-UWVGGRQHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576566584 1164397190 /nfs/dbraw/zinc/39/71/90/1164397190.db2.gz VHHQDTHUZLRABP-VHSXEESVSA-N -1 1 318.385 0.384 20 0 DCADMM CC[C@H](CNC(=O)C1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576789429 1164462967 /nfs/dbraw/zinc/46/29/67/1164462967.db2.gz HBPLRDRAQBPPMA-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)C1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576789429 1164462974 /nfs/dbraw/zinc/46/29/74/1164462974.db2.gz HBPLRDRAQBPPMA-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576939485 1164545070 /nfs/dbraw/zinc/54/50/70/1164545070.db2.gz FEMGXHQFCRQMCV-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576939485 1164545074 /nfs/dbraw/zinc/54/50/74/1164545074.db2.gz FEMGXHQFCRQMCV-BDAKNGLRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576966205 1164562815 /nfs/dbraw/zinc/56/28/15/1164562815.db2.gz PTFKOHFEYVXZQE-IUCAKERBSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@H]1CN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CCO1 ZINC001577170115 1164619224 /nfs/dbraw/zinc/61/92/24/1164619224.db2.gz UZGWUIQJROCBCX-VIFPVBQESA-N -1 1 318.337 0.527 20 0 DCADMM CCCC(=O)N(C)CCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001577184052 1164624554 /nfs/dbraw/zinc/62/45/54/1164624554.db2.gz FEIBMNCBJSDSMI-UHFFFAOYSA-N -1 1 318.385 0.890 20 0 DCADMM CCCC(=O)N(C)CCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001577184052 1164624559 /nfs/dbraw/zinc/62/45/59/1164624559.db2.gz FEIBMNCBJSDSMI-UHFFFAOYSA-N -1 1 318.385 0.890 20 0 DCADMM CCCC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577185640 1164627957 /nfs/dbraw/zinc/62/79/57/1164627957.db2.gz XTUATZJDSAMLFT-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577185640 1164627961 /nfs/dbraw/zinc/62/79/61/1164627961.db2.gz XTUATZJDSAMLFT-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577203255 1164632874 /nfs/dbraw/zinc/63/28/74/1164632874.db2.gz SVQASMXOEQDZJZ-AWEZNQCLSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577203255 1164632876 /nfs/dbraw/zinc/63/28/76/1164632876.db2.gz SVQASMXOEQDZJZ-AWEZNQCLSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001577202147 1164632891 /nfs/dbraw/zinc/63/28/91/1164632891.db2.gz CLCGERLFRLRTEO-UWVGGRQHSA-N -1 1 314.353 0.246 20 0 DCADMM CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001577202147 1164632894 /nfs/dbraw/zinc/63/28/94/1164632894.db2.gz CLCGERLFRLRTEO-UWVGGRQHSA-N -1 1 314.353 0.246 20 0 DCADMM CCCC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001577213438 1164635890 /nfs/dbraw/zinc/63/58/90/1164635890.db2.gz COGSGGZAIYUCEO-SNVBAGLBSA-N -1 1 316.369 0.185 20 0 DCADMM CCCC(=O)NC[C@@H](CC)Nc1cncc(-c2nnn[n-]2)n1 ZINC001577214040 1164638535 /nfs/dbraw/zinc/63/85/35/1164638535.db2.gz WYRDODFNBUZNDH-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)NC[C@@H](CC)Nc1cncc(-c2nn[n-]n2)n1 ZINC001577214040 1164638541 /nfs/dbraw/zinc/63/85/41/1164638541.db2.gz WYRDODFNBUZNDH-SECBINFHSA-N -1 1 304.358 0.764 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@H]1C)c1ccc(-c2nnn[n-]2)nn1 ZINC001577941464 1164853720 /nfs/dbraw/zinc/85/37/20/1164853720.db2.gz MLPANLPIVBPRLJ-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@H]1C)c1ccc(-c2nn[n-]n2)nn1 ZINC001577941464 1164853727 /nfs/dbraw/zinc/85/37/27/1164853727.db2.gz MLPANLPIVBPRLJ-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)C1(C)CC1 ZINC001578139359 1164933302 /nfs/dbraw/zinc/93/33/02/1164933302.db2.gz YBHICHKDPWYCDE-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)C1(C)CC1 ZINC001578139359 1164933309 /nfs/dbraw/zinc/93/33/09/1164933309.db2.gz YBHICHKDPWYCDE-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCOCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001578359246 1164984082 /nfs/dbraw/zinc/98/40/82/1164984082.db2.gz YVJJJBYROVZBRE-UHFFFAOYSA-N -1 1 322.394 0.265 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(C)=O)[C@H]2C)n1 ZINC001578595691 1165066944 /nfs/dbraw/zinc/06/69/44/1165066944.db2.gz DJQWFWFRXXDJJA-SCZZXKLOSA-N -1 1 316.369 0.322 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(C)=O)[C@H]2C)n1 ZINC001578595691 1165066951 /nfs/dbraw/zinc/06/69/51/1165066951.db2.gz DJQWFWFRXXDJJA-SCZZXKLOSA-N -1 1 316.369 0.322 20 0 DCADMM CN(C)C(=O)[C@@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001578954952 1165168625 /nfs/dbraw/zinc/16/86/25/1165168625.db2.gz AAWFXEHPINITSD-MRVPVSSYSA-N -1 1 320.378 0.479 20 0 DCADMM CN(C)C(=O)c1c[nH]nc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001578962473 1165171770 /nfs/dbraw/zinc/17/17/70/1165171770.db2.gz SYUFEQHKDJZUNG-UHFFFAOYSA-N -1 1 316.281 0.137 20 0 DCADMM CN(C)C(=O)c1c[nH]nc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001578962473 1165171773 /nfs/dbraw/zinc/17/17/73/1165171773.db2.gz SYUFEQHKDJZUNG-UHFFFAOYSA-N -1 1 316.281 0.137 20 0 DCADMM CNC(=O)NC1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001579402401 1165299498 /nfs/dbraw/zinc/29/94/98/1165299498.db2.gz JPPSWBBTTYKICJ-UHFFFAOYSA-N -1 1 322.398 0.217 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001579469248 1165319749 /nfs/dbraw/zinc/31/97/49/1165319749.db2.gz OFHGCIGHNDUNAJ-BDAKNGLRSA-N -1 1 303.326 0.719 20 0 DCADMM COC(=O)[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001579469248 1165319754 /nfs/dbraw/zinc/31/97/54/1165319754.db2.gz OFHGCIGHNDUNAJ-BDAKNGLRSA-N -1 1 303.326 0.719 20 0 DCADMM COC(=O)c1cccc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001579487700 1165329260 /nfs/dbraw/zinc/32/92/60/1165329260.db2.gz QRJIRRQLHUIICM-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1cccc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001579487700 1165329270 /nfs/dbraw/zinc/32/92/70/1165329270.db2.gz QRJIRRQLHUIICM-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1coc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001579491885 1165330068 /nfs/dbraw/zinc/33/00/68/1165330068.db2.gz QAZPHLRHIHAXEG-UHFFFAOYSA-N -1 1 318.249 0.164 20 0 DCADMM COC(=O)c1coc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001579491885 1165330076 /nfs/dbraw/zinc/33/00/76/1165330076.db2.gz QAZPHLRHIHAXEG-UHFFFAOYSA-N -1 1 318.249 0.164 20 0 DCADMM COC(=O)c1cnc(COc2cccnc2-c2nnn[n-]2)cn1 ZINC001579489352 1165330338 /nfs/dbraw/zinc/33/03/38/1165330338.db2.gz ZPYWMMMFMZNTSC-UHFFFAOYSA-N -1 1 313.277 0.417 20 0 DCADMM COC(=O)c1cnc(COc2cccnc2-c2nn[n-]n2)cn1 ZINC001579489352 1165330345 /nfs/dbraw/zinc/33/03/45/1165330345.db2.gz ZPYWMMMFMZNTSC-UHFFFAOYSA-N -1 1 313.277 0.417 20 0 DCADMM COC(=O)c1sccc1Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001579492903 1165332538 /nfs/dbraw/zinc/33/25/38/1165332538.db2.gz CIDYSGQLLDLMFB-UHFFFAOYSA-N -1 1 317.330 0.925 20 0 DCADMM COCC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001579628834 1165362968 /nfs/dbraw/zinc/36/29/68/1165362968.db2.gz MRCBYWLQYQWBCK-MRVPVSSYSA-N -1 1 323.382 0.291 20 0 DCADMM COC[C@@]1(CO)CCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001579747588 1165387303 /nfs/dbraw/zinc/38/73/03/1165387303.db2.gz PXSHJVPXGWLTPN-ZDUSSCGKSA-N -1 1 323.378 0.399 20 0 DCADMM COc1ccc(CCNc2ccnc(-c3nn[n-]n3)n2)cc1O ZINC001579996106 1165465562 /nfs/dbraw/zinc/46/55/62/1165465562.db2.gz OZJNYQKHNARWIR-UHFFFAOYSA-N -1 1 313.321 0.447 20 0 DCADMM COc1nccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001580143268 1165518285 /nfs/dbraw/zinc/51/82/85/1165518285.db2.gz YNVCZOCXKPMMGC-UHFFFAOYSA-N -1 1 318.322 0.052 20 0 DCADMM COc1nccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001580143268 1165518292 /nfs/dbraw/zinc/51/82/92/1165518292.db2.gz YNVCZOCXKPMMGC-UHFFFAOYSA-N -1 1 318.322 0.052 20 0 DCADMM C[S@](=O)[C@H]1CC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001580171884 1165525592 /nfs/dbraw/zinc/52/55/92/1165525592.db2.gz ANYDETLEQKTMNK-QTYUKPITSA-N -1 1 320.378 0.291 20 0 DCADMM C[S@](=O)[C@H]1CC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001580171884 1165525599 /nfs/dbraw/zinc/52/55/99/1165525599.db2.gz ANYDETLEQKTMNK-QTYUKPITSA-N -1 1 320.378 0.291 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001580187535 1165532487 /nfs/dbraw/zinc/53/24/87/1165532487.db2.gz HRMOKFNZSFZEJT-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001580187535 1165532496 /nfs/dbraw/zinc/53/24/96/1165532496.db2.gz HRMOKFNZSFZEJT-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCC1CC1 ZINC001580290143 1165559638 /nfs/dbraw/zinc/55/96/38/1165559638.db2.gz DEDFEESPOGBMBH-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccoc1 ZINC001580294313 1165561144 /nfs/dbraw/zinc/56/11/44/1165561144.db2.gz NVTKTQGWIDSLKD-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccoc1 ZINC001580294313 1165561152 /nfs/dbraw/zinc/56/11/52/1165561152.db2.gz NVTKTQGWIDSLKD-QMMMGPOBSA-N -1 1 314.309 0.480 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CC1(F)F ZINC001580294225 1165561557 /nfs/dbraw/zinc/56/15/57/1165561557.db2.gz ZAGRMJJZGLFGBI-NKWVEPMBSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC1(F)F ZINC001580294225 1165561561 /nfs/dbraw/zinc/56/15/61/1165561561.db2.gz ZAGRMJJZGLFGBI-NKWVEPMBSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@@H]1CC[C@@H](O)CN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001580315246 1165568946 /nfs/dbraw/zinc/56/89/46/1165568946.db2.gz IEXHKMDXMKVYHW-RKDXNWHRSA-N -1 1 322.394 0.983 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001580367605 1165586902 /nfs/dbraw/zinc/58/69/02/1165586902.db2.gz LNIOIWOBGSKRSP-OPRDCNLKSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001580367605 1165586911 /nfs/dbraw/zinc/58/69/11/1165586911.db2.gz LNIOIWOBGSKRSP-OPRDCNLKSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CC1(F)F ZINC001580413774 1165594979 /nfs/dbraw/zinc/59/49/79/1165594979.db2.gz XRHOHFXLCBZOPF-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CC1(F)F ZINC001580413774 1165594986 /nfs/dbraw/zinc/59/49/86/1165594986.db2.gz XRHOHFXLCBZOPF-RNFRBKRXSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1=CCCC1 ZINC001580414331 1165598264 /nfs/dbraw/zinc/59/82/64/1165598264.db2.gz WCIOLWFXOLKHCW-SECBINFHSA-N -1 1 314.353 0.106 20 0 DCADMM C[C@H]1C[C@@H](O)CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001580448429 1165604717 /nfs/dbraw/zinc/60/47/17/1165604717.db2.gz UZBMOZKBQGPYGU-DTWKUNHWSA-N -1 1 322.394 0.841 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cccn3nccc23)nn1C ZINC001580524195 1165629962 /nfs/dbraw/zinc/62/99/62/1165629962.db2.gz XZPQBXWRTQKWOD-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cccn3nccc23)nn1C ZINC001580524195 1165629966 /nfs/dbraw/zinc/62/99/66/1165629966.db2.gz XZPQBXWRTQKWOD-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC001580600454 1165651339 /nfs/dbraw/zinc/65/13/39/1165651339.db2.gz DJMJFTUVCNMMEI-RKDXNWHRSA-N -1 1 318.337 0.165 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)NC(=O)C2(C)CC2)n1 ZINC001580746437 1165708447 /nfs/dbraw/zinc/70/84/47/1165708447.db2.gz ISLGSFASBXEICK-SECBINFHSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)NC(=O)C2(C)CC2)n1 ZINC001580746437 1165708456 /nfs/dbraw/zinc/70/84/56/1165708456.db2.gz ISLGSFASBXEICK-SECBINFHSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)NC(=O)CC2CC2)n1 ZINC001580748740 1165709492 /nfs/dbraw/zinc/70/94/92/1165709492.db2.gz OQZCTNBJTZEKSC-SECBINFHSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)NC(=O)CC2CC2)n1 ZINC001580748740 1165709496 /nfs/dbraw/zinc/70/94/96/1165709496.db2.gz OQZCTNBJTZEKSC-SECBINFHSA-N -1 1 316.369 0.682 20 0 DCADMM Cc1[nH]nc(NC(=O)C2=C[S@](=O)CCC2)c1-c1nn[n-]n1 ZINC001581402962 1165821283 /nfs/dbraw/zinc/82/12/83/1165821283.db2.gz RVXVFBDMRVCEPN-OAQYLSRUSA-N -1 1 307.339 0.263 20 0 DCADMM Cc1nc(N[C@H](CO)C[C@@H](O)C(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001581494873 1165836024 /nfs/dbraw/zinc/83/60/24/1165836024.db2.gz CWPHOHKCAYRMIY-GXSJLCMTSA-N -1 1 321.385 0.535 20 0 DCADMM Cc1nc(N[C@H](CO)C[C@@H](O)C(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001581494873 1165836029 /nfs/dbraw/zinc/83/60/29/1165836029.db2.gz CWPHOHKCAYRMIY-GXSJLCMTSA-N -1 1 321.385 0.535 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ccc(Cl)nn2)c1-c1nnn[n-]1 ZINC001581593895 1165846554 /nfs/dbraw/zinc/84/65/54/1165846554.db2.gz YWJITLAGLUEYIQ-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ccc(Cl)nn2)c1-c1nn[n-]n1 ZINC001581593895 1165846561 /nfs/dbraw/zinc/84/65/61/1165846561.db2.gz YWJITLAGLUEYIQ-UHFFFAOYSA-N -1 1 319.716 0.604 20 0 DCADMM Cc1nnc(CN(C)C(=O)Cc2ccc(-c3nnn[n-]3)nc2)o1 ZINC001581609571 1165848738 /nfs/dbraw/zinc/84/87/38/1165848738.db2.gz NQZAHLSSUNLBIP-UHFFFAOYSA-N -1 1 314.309 0.154 20 0 DCADMM Cc1nnc(CN(C)C(=O)Cc2ccc(-c3nn[n-]n3)nc2)o1 ZINC001581609571 1165848747 /nfs/dbraw/zinc/84/87/47/1165848747.db2.gz NQZAHLSSUNLBIP-UHFFFAOYSA-N -1 1 314.309 0.154 20 0 DCADMM Cc1nnc2n1CCN(Cc1nc(-c3nnn[n-]3)cs1)[C@H]2C ZINC001581615489 1165852940 /nfs/dbraw/zinc/85/29/40/1165852940.db2.gz XVUZKKKONPALCI-ZETCQYMHSA-N -1 1 317.382 0.800 20 0 DCADMM Cc1nnc2n1CCN(Cc1nc(-c3nn[n-]n3)cs1)[C@H]2C ZINC001581615489 1165852946 /nfs/dbraw/zinc/85/29/46/1165852946.db2.gz XVUZKKKONPALCI-ZETCQYMHSA-N -1 1 317.382 0.800 20 0 DCADMM Cc1nnsc1CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581622035 1165853050 /nfs/dbraw/zinc/85/30/50/1165853050.db2.gz KIXYXIOSTILSJT-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nnsc1CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581622035 1165853056 /nfs/dbraw/zinc/85/30/56/1165853056.db2.gz KIXYXIOSTILSJT-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nsc(N(C)C(=O)c2ncccn2)c1-c1nnn[n-]1 ZINC001581658853 1165856495 /nfs/dbraw/zinc/85/64/95/1165856495.db2.gz RWJNXIQSSOPVSC-UHFFFAOYSA-N -1 1 302.323 0.698 20 0 DCADMM Cc1nsc(N(C)C(=O)c2ncccn2)c1-c1nn[n-]n1 ZINC001581658853 1165856500 /nfs/dbraw/zinc/85/65/00/1165856500.db2.gz RWJNXIQSSOPVSC-UHFFFAOYSA-N -1 1 302.323 0.698 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C2CCC1(C(N)=O)CC2 ZINC001581726872 1165862660 /nfs/dbraw/zinc/86/26/60/1165862660.db2.gz XWCMVLHANCPCFD-UHFFFAOYSA-N -1 1 316.321 0.391 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C2CCC1(C(N)=O)CC2 ZINC001581726872 1165862670 /nfs/dbraw/zinc/86/26/70/1165862670.db2.gz XWCMVLHANCPCFD-UHFFFAOYSA-N -1 1 316.321 0.391 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](O)c1cncs1 ZINC001581727230 1165862896 /nfs/dbraw/zinc/86/28/96/1165862896.db2.gz OAIGKHRDDKALFG-MRVPVSSYSA-N -1 1 320.334 0.688 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](O)c1cncs1 ZINC001581727230 1165862906 /nfs/dbraw/zinc/86/29/06/1165862906.db2.gz OAIGKHRDDKALFG-MRVPVSSYSA-N -1 1 320.334 0.688 20 0 DCADMM Cn1c(=O)[nH]c(NCCc2ccccc2)c(-c2nn[n-]n2)c1=O ZINC001581747302 1165864599 /nfs/dbraw/zinc/86/45/99/1165864599.db2.gz HTXJECHTLCKUPN-UHFFFAOYSA-N -1 1 313.321 0.321 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H]2c2ccco2)c1-c1nnn[n-]1 ZINC001581739736 1165865488 /nfs/dbraw/zinc/86/54/88/1165865488.db2.gz PGIJMMOJRGHZCP-RKDXNWHRSA-N -1 1 314.305 0.971 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H]2c2ccco2)c1-c1nn[n-]n1 ZINC001581739736 1165865490 /nfs/dbraw/zinc/86/54/90/1165865490.db2.gz PGIJMMOJRGHZCP-RKDXNWHRSA-N -1 1 314.305 0.971 20 0 DCADMM Cn1cc(C(N)=O)c(NC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001581764645 1165870965 /nfs/dbraw/zinc/87/09/65/1165870965.db2.gz MZXMFEZMZIHQQS-UHFFFAOYSA-N -1 1 318.322 0.013 20 0 DCADMM Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(C(N)=O)n1 ZINC001581775427 1165874165 /nfs/dbraw/zinc/87/41/65/1165874165.db2.gz WSAHEMVQBGSKJB-UHFFFAOYSA-N -1 1 318.322 0.013 20 0 DCADMM Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(C(N)=O)n1 ZINC001581775427 1165874171 /nfs/dbraw/zinc/87/41/71/1165874171.db2.gz WSAHEMVQBGSKJB-UHFFFAOYSA-N -1 1 318.322 0.013 20 0 DCADMM NC(=O)c1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001581904550 1165908938 /nfs/dbraw/zinc/90/89/38/1165908938.db2.gz LPTPPZYUNXUIAU-UHFFFAOYSA-N -1 1 323.316 0.542 20 0 DCADMM NC(=O)c1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001581904550 1165908943 /nfs/dbraw/zinc/90/89/43/1165908943.db2.gz LPTPPZYUNXUIAU-UHFFFAOYSA-N -1 1 323.316 0.542 20 0 DCADMM Nc1cc(F)ccc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581909837 1165911919 /nfs/dbraw/zinc/91/19/19/1165911919.db2.gz XDGJPUWBWPBMPW-UHFFFAOYSA-N -1 1 319.325 0.975 20 0 DCADMM Nc1cc(F)ccc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581909837 1165911925 /nfs/dbraw/zinc/91/19/25/1165911925.db2.gz XDGJPUWBWPBMPW-UHFFFAOYSA-N -1 1 319.325 0.975 20 0 DCADMM O=C(C[C@@H]1CCC(=O)N1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001581976106 1165929004 /nfs/dbraw/zinc/92/90/04/1165929004.db2.gz VYSYTHKDJYYVFK-ZETCQYMHSA-N -1 1 316.325 0.074 20 0 DCADMM O=C(CCNc1ncncc1-c1nn[n-]n1)NCc1ccccc1 ZINC001582055206 1165945390 /nfs/dbraw/zinc/94/53/90/1165945390.db2.gz ILPBXIVCHWHEBP-UHFFFAOYSA-N -1 1 324.348 0.775 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(CCO)cc1 ZINC001582139586 1165967157 /nfs/dbraw/zinc/96/71/57/1165967157.db2.gz WBIDXPFDVPIKPE-UHFFFAOYSA-N -1 1 324.344 0.978 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(CCO)cc1 ZINC001582139586 1165967160 /nfs/dbraw/zinc/96/71/60/1165967160.db2.gz WBIDXPFDVPIKPE-UHFFFAOYSA-N -1 1 324.344 0.978 20 0 DCADMM O=C(Cc1ccc2n[nH]cc2c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582142274 1165967780 /nfs/dbraw/zinc/96/77/80/1165967780.db2.gz MVQUBRGXLGXARV-UHFFFAOYSA-N -1 1 309.293 0.647 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)c1ccc2c(c1)COC2 ZINC001582198031 1165981410 /nfs/dbraw/zinc/98/14/10/1165981410.db2.gz JYMUGFUBWMKMOT-UHFFFAOYSA-N -1 1 324.300 0.337 20 0 DCADMM O=C(Cn1cncn1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582201791 1165981714 /nfs/dbraw/zinc/98/17/14/1165981714.db2.gz QJTHTMLRBXETCW-UHFFFAOYSA-N -1 1 320.263 0.053 20 0 DCADMM O=C(Cn1cncn1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582201791 1165981721 /nfs/dbraw/zinc/98/17/21/1165981721.db2.gz QJTHTMLRBXETCW-UHFFFAOYSA-N -1 1 320.263 0.053 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001582197952 1165982447 /nfs/dbraw/zinc/98/24/47/1165982447.db2.gz GQVWWUAOMUHBQH-UWVGGRQHSA-N -1 1 302.342 0.249 20 0 DCADMM O=C(N[C@@H](CO)c1cccnc1)c1csc(-c2nn[n-]n2)c1 ZINC001582233114 1165988954 /nfs/dbraw/zinc/98/89/54/1165988954.db2.gz SLMTYOFHSYNGRN-JTQLQIEISA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NCCNc1cnc(-c2nnn[n-]2)cn1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001582522039 1166030431 /nfs/dbraw/zinc/03/04/31/1166030431.db2.gz LYLJSWAWKUPILO-GDGBQDQQSA-N -1 1 314.353 0.231 20 0 DCADMM O=C(NCCNc1cnc(-c2nn[n-]n2)cn1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001582522039 1166030442 /nfs/dbraw/zinc/03/04/42/1166030442.db2.gz LYLJSWAWKUPILO-GDGBQDQQSA-N -1 1 314.353 0.231 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1C[C@H]2C[C@@]2(CO)C1 ZINC001582548650 1166039669 /nfs/dbraw/zinc/03/96/69/1166039669.db2.gz FVVRGEKISAASOK-OQPBUACISA-N -1 1 320.378 0.452 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1C[C@@]12CCOC2 ZINC001582548506 1166040411 /nfs/dbraw/zinc/04/04/11/1166040411.db2.gz RZVLWWYRJRDYLA-TVQRCGJNSA-N -1 1 305.363 0.971 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cnn(CC2CC2)c1 ZINC001582554955 1166041819 /nfs/dbraw/zinc/04/18/19/1166041819.db2.gz YNWKBBMEGWLDAE-UHFFFAOYSA-N -1 1 324.348 0.798 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cnn(CC2CC2)c1 ZINC001582554955 1166041829 /nfs/dbraw/zinc/04/18/29/1166041829.db2.gz YNWKBBMEGWLDAE-UHFFFAOYSA-N -1 1 324.348 0.798 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NCc1cnccn1 ZINC001582558273 1166043763 /nfs/dbraw/zinc/04/37/63/1166043763.db2.gz PVZYFLVBUDBUOA-UHFFFAOYSA-N -1 1 317.338 0.113 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NCc1cnccn1 ZINC001582558273 1166043767 /nfs/dbraw/zinc/04/37/67/1166043767.db2.gz PVZYFLVBUDBUOA-UHFFFAOYSA-N -1 1 317.338 0.113 20 0 DCADMM O=C(NCc1nc2c([nH]1)CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001582561318 1166045722 /nfs/dbraw/zinc/04/57/22/1166045722.db2.gz ZFGBANSDXWCAQL-UHFFFAOYSA-N -1 1 324.348 0.794 20 0 DCADMM O=C(NCc1nc2c([nH]1)CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001582561318 1166045724 /nfs/dbraw/zinc/04/57/24/1166045724.db2.gz ZFGBANSDXWCAQL-UHFFFAOYSA-N -1 1 324.348 0.794 20 0 DCADMM O=C(Nc1ccc[n+]([O-])c1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001582644071 1166057762 /nfs/dbraw/zinc/05/77/62/1166057762.db2.gz JFKYRACMTKFQHX-UHFFFAOYSA-N -1 1 317.696 0.801 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCc2ncncc2C1 ZINC001582728444 1166070751 /nfs/dbraw/zinc/07/07/51/1166070751.db2.gz ROIBLTUETBTJMZ-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCc2ncncc2C1 ZINC001582728444 1166070757 /nfs/dbraw/zinc/07/07/57/1166070757.db2.gz ROIBLTUETBTJMZ-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM O=C1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1c1ccccc1 ZINC001582759612 1166075670 /nfs/dbraw/zinc/07/56/70/1166075670.db2.gz DUYRUSFCNIKNKF-JTQLQIEISA-N -1 1 322.332 0.874 20 0 DCADMM O=C1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1c1ccccc1 ZINC001582759612 1166075676 /nfs/dbraw/zinc/07/56/76/1166075676.db2.gz DUYRUSFCNIKNKF-JTQLQIEISA-N -1 1 322.332 0.874 20 0 DCADMM O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582777681 1166079658 /nfs/dbraw/zinc/07/96/58/1166079658.db2.gz HOMRMNPKMPCVJB-UHFFFAOYSA-N -1 1 324.304 0.266 20 0 DCADMM O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582777681 1166079667 /nfs/dbraw/zinc/07/96/67/1166079667.db2.gz HOMRMNPKMPCVJB-UHFFFAOYSA-N -1 1 324.304 0.266 20 0 DCADMM O=S(=O)(CC1CCCC1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582790746 1166081000 /nfs/dbraw/zinc/08/10/00/1166081000.db2.gz MBNYGEMTSOMHGK-UHFFFAOYSA-N -1 1 322.394 0.871 20 0 DCADMM O=S(=O)(CC1CCCC1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582790746 1166081008 /nfs/dbraw/zinc/08/10/08/1166081008.db2.gz MBNYGEMTSOMHGK-UHFFFAOYSA-N -1 1 322.394 0.871 20 0 DCADMM O=S(=O)(N[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001582799030 1166084140 /nfs/dbraw/zinc/08/41/40/1166084140.db2.gz QZRXQRUPNXAKHY-ZETCQYMHSA-N -1 1 313.314 0.073 20 0 DCADMM O[C@@H](CNc1cncc(-c2nnn[n-]2)n1)Cc1ccc(F)cc1 ZINC001582809943 1166087754 /nfs/dbraw/zinc/08/77/54/1166087754.db2.gz SXPOFCDYQQQNPM-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H](CNc1cncc(-c2nn[n-]n2)n1)Cc1ccc(F)cc1 ZINC001582809943 1166087759 /nfs/dbraw/zinc/08/77/59/1166087759.db2.gz SXPOFCDYQQQNPM-LLVKDONJSA-N -1 1 315.312 0.811 20 0 DCADMM O=c1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)[nH]c(=O)[nH]1 ZINC001582807075 1166089162 /nfs/dbraw/zinc/08/91/62/1166089162.db2.gz OHLBWYQKKSYXAI-UHFFFAOYSA-N -1 1 320.700 0.728 20 0 DCADMM O=c1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)[nH]c(=O)[nH]1 ZINC001582807075 1166089169 /nfs/dbraw/zinc/08/91/69/1166089169.db2.gz OHLBWYQKKSYXAI-UHFFFAOYSA-N -1 1 320.700 0.728 20 0 DCADMM O[C@@H](CNc1ncncc1-c1nn[n-]n1)COc1ccccc1 ZINC001582809941 1166089609 /nfs/dbraw/zinc/08/96/09/1166089609.db2.gz SWPSXHNCCBHBCH-JTQLQIEISA-N -1 1 313.321 0.509 20 0 DCADMM COCCOc1cc(NC(=O)CCc2nn[n-]n2)ccc1OC ZINC001587733208 1166511319 /nfs/dbraw/zinc/51/13/19/1166511319.db2.gz CMRKNDUEVBPAPN-UHFFFAOYSA-N -1 1 321.337 0.805 20 0 DCADMM CC(C)C[C@@]1(C(=O)N2CCC(c3nn[n-]n3)CC2)CCNC1=O ZINC001587876303 1166514226 /nfs/dbraw/zinc/51/42/26/1166514226.db2.gz ZEBCYIKCKCPSJX-HNNXBMFYSA-N -1 1 320.397 0.458 20 0 DCADMM CC(=O)N[C@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001588838274 1166603315 /nfs/dbraw/zinc/60/33/15/1166603315.db2.gz WHLKCGFXOYOXLH-SECBINFHSA-N -1 1 307.383 0.958 20 0 DCADMM CC(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588855758 1166608289 /nfs/dbraw/zinc/60/82/89/1166608289.db2.gz ZPJKSTOJELOLJL-SNVBAGLBSA-N -1 1 302.342 0.070 20 0 DCADMM CC(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588855758 1166608294 /nfs/dbraw/zinc/60/82/94/1166608294.db2.gz 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ZINC001588951660 1166621199 /nfs/dbraw/zinc/62/11/99/1166621199.db2.gz IKZQZSKJMWSKCL-CPCISQLKSA-N -1 1 324.295 0.277 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1CCCC2(CC2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588973970 1166624630 /nfs/dbraw/zinc/62/46/30/1166624630.db2.gz VXCHIARRLNQZTI-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@H](C(=O)Nc1ccc(F)cc1O)n1cnc(-c2nn[n-]n2)n1 ZINC001589017627 1166629867 /nfs/dbraw/zinc/62/98/67/1166629867.db2.gz GCBQXDAYHQROHN-ZCFIWIBFSA-N -1 1 318.272 0.503 20 0 DCADMM CCc1nnsc1C(=O)[N-]NC(=O)c1[nH]nc2c1CCCC2 ZINC000021130148 1166633563 /nfs/dbraw/zinc/63/35/63/1166633563.db2.gz XKIOUJIZVYGSEC-UHFFFAOYSA-N -1 1 320.378 0.777 20 0 DCADMM CCc1nnsc1C(=O)N[N-]C(=O)c1n[nH]c2c1CCCC2 ZINC000021130148 1166633569 /nfs/dbraw/zinc/63/35/69/1166633569.db2.gz XKIOUJIZVYGSEC-UHFFFAOYSA-N -1 1 320.378 0.777 20 0 DCADMM CC(C)(C)[C@@H](O)C[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589095150 1166635052 /nfs/dbraw/zinc/63/50/52/1166635052.db2.gz HHRQXZWRGIFOAS-SCZZXKLOSA-N -1 1 307.358 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CC(C)=CC(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001589370222 1166651890 /nfs/dbraw/zinc/65/18/90/1166651890.db2.gz SHZAWOWXOAIABQ-UHFFFAOYSA-N -1 1 302.342 0.541 20 0 DCADMM CC(C)=CC(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001589370222 1166651892 /nfs/dbraw/zinc/65/18/92/1166651892.db2.gz SHZAWOWXOAIABQ-UHFFFAOYSA-N -1 1 302.342 0.541 20 0 DCADMM CC(C)CC(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001589536423 1166664086 /nfs/dbraw/zinc/66/40/86/1166664086.db2.gz SJOVMHYOJHGNNO-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)CC(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001589536423 1166664090 /nfs/dbraw/zinc/66/40/90/1166664090.db2.gz SJOVMHYOJHGNNO-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)CC(=O)N1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001589527767 1166665512 /nfs/dbraw/zinc/66/55/12/1166665512.db2.gz SWVOYVDBPCAVLW-UHFFFAOYSA-N -1 1 315.381 0.956 20 0 DCADMM CC(C)CC(=O)N1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001589527767 1166665517 /nfs/dbraw/zinc/66/55/17/1166665517.db2.gz SWVOYVDBPCAVLW-UHFFFAOYSA-N -1 1 315.381 0.956 20 0 DCADMM CC(C)C[C@H]1NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001589573906 1166667050 /nfs/dbraw/zinc/66/70/50/1166667050.db2.gz NZUZDRAILGSAKQ-SSDOTTSWSA-N -1 1 321.366 0.790 20 0 DCADMM CC(C)C[C@H]1NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001589573906 1166667055 /nfs/dbraw/zinc/66/70/55/1166667055.db2.gz NZUZDRAILGSAKQ-SSDOTTSWSA-N -1 1 321.366 0.790 20 0 DCADMM CC(C)N1C(=O)CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001589709423 1166673850 /nfs/dbraw/zinc/67/38/50/1166673850.db2.gz JOKWSKHAHDSGHD-UHFFFAOYSA-N -1 1 316.369 0.492 20 0 DCADMM CC(C)NC(=O)[C@@H](C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589720700 1166676732 /nfs/dbraw/zinc/67/67/32/1166676732.db2.gz LTQRCTLEULPOOA-SSDOTTSWSA-N -1 1 308.367 0.571 20 0 DCADMM CC(C)[C@@H](CO)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589763108 1166682962 /nfs/dbraw/zinc/68/29/62/1166682962.db2.gz REJRGWUPJOOWOS-SNVBAGLBSA-N -1 1 311.292 0.892 20 0 DCADMM CC(C)[C@@H](CO)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589763108 1166682966 /nfs/dbraw/zinc/68/29/66/1166682966.db2.gz REJRGWUPJOOWOS-SNVBAGLBSA-N -1 1 311.292 0.892 20 0 DCADMM CC(C)n1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC001589782892 1166685377 /nfs/dbraw/zinc/68/53/77/1166685377.db2.gz ADXQROYXSHSQSJ-UHFFFAOYSA-N -1 1 301.314 0.630 20 0 DCADMM CC(C)n1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC001589782892 1166685379 /nfs/dbraw/zinc/68/53/79/1166685379.db2.gz ADXQROYXSHSQSJ-UHFFFAOYSA-N -1 1 301.314 0.630 20 0 DCADMM C[C@@H](C[C@H](O)c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589802694 1166689684 /nfs/dbraw/zinc/68/96/84/1166689684.db2.gz HXERQLQRWQJDBJ-IUCAKERBSA-N -1 1 301.310 0.596 20 0 DCADMM C[C@@H](CC(F)(F)F)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001589798512 1166690927 /nfs/dbraw/zinc/69/09/27/1166690927.db2.gz GJFQBFPGZKBNQL-BYPYZUCNSA-N -1 1 319.247 0.419 20 0 DCADMM C[C@H](CC(N)=O)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589803492 1166691546 /nfs/dbraw/zinc/69/15/46/1166691546.db2.gz OFQMMQCGFGWMFZ-RXMQYKEDSA-N -1 1 315.259 0.956 20 0 DCADMM C[C@H](CC(N)=O)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589803492 1166691550 /nfs/dbraw/zinc/69/15/50/1166691550.db2.gz OFQMMQCGFGWMFZ-RXMQYKEDSA-N -1 1 315.259 0.956 20 0 DCADMM CC(C)C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001589819577 1166692995 /nfs/dbraw/zinc/69/29/95/1166692995.db2.gz BBNPBBQWCDDPHH-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001589819577 1166692999 /nfs/dbraw/zinc/69/29/99/1166692999.db2.gz BBNPBBQWCDDPHH-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC1 ZINC001589832066 1166694225 /nfs/dbraw/zinc/69/42/25/1166694225.db2.gz QLYLSCHUZMDABN-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC1 ZINC001589832066 1166694229 /nfs/dbraw/zinc/69/42/29/1166694229.db2.gz QLYLSCHUZMDABN-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CN1CCOCC1)OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589847116 1166697569 /nfs/dbraw/zinc/69/75/69/1166697569.db2.gz 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ZINC001590034249 1166758997 /nfs/dbraw/zinc/75/89/97/1166758997.db2.gz HTTMAFFSLJDEFB-ZETCQYMHSA-N -1 1 300.282 0.391 20 0 DCADMM C[C@H](Oc1cccnc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590034249 1166759003 /nfs/dbraw/zinc/75/90/03/1166759003.db2.gz HTTMAFFSLJDEFB-ZETCQYMHSA-N -1 1 300.282 0.391 20 0 DCADMM C[C@@H](c1nc(C2CCOCC2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590054005 1166760349 /nfs/dbraw/zinc/76/03/49/1166760349.db2.gz PDPPRMXSKLQEHP-ZETCQYMHSA-N -1 1 317.313 0.345 20 0 DCADMM C[C@@]1(C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCNC(=O)C1 ZINC001590074369 1166765210 /nfs/dbraw/zinc/76/52/10/1166765210.db2.gz STPRRPZCBCUAAY-CYBMUJFWSA-N -1 1 321.362 0.888 20 0 DCADMM CC1(C)CC(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590080752 1166768663 /nfs/dbraw/zinc/76/86/63/1166768663.db2.gz PYLMURICTRPUFH-UHFFFAOYSA-N -1 1 322.394 0.976 20 0 DCADMM CC1(C)COC[C@@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590111121 1166775790 /nfs/dbraw/zinc/77/57/90/1166775790.db2.gz OIEAGSPNMDLFTG-JTQLQIEISA-N -1 1 303.326 0.808 20 0 DCADMM CC1(C)COC[C@@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590111121 1166775796 /nfs/dbraw/zinc/77/57/96/1166775796.db2.gz OIEAGSPNMDLFTG-JTQLQIEISA-N -1 1 303.326 0.808 20 0 DCADMM CC1(C)CNC(=O)CN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590108962 1166776304 /nfs/dbraw/zinc/77/63/04/1166776304.db2.gz CLFFNQHFOABQLK-UHFFFAOYSA-N -1 1 306.351 0.279 20 0 DCADMM CC1(C)OCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590118960 1166782031 /nfs/dbraw/zinc/78/20/31/1166782031.db2.gz QLAYAWGIWVDKKC-JTQLQIEISA-N -1 1 302.338 0.807 20 0 DCADMM CC1(C)OCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590118960 1166782039 /nfs/dbraw/zinc/78/20/39/1166782039.db2.gz QLAYAWGIWVDKKC-JTQLQIEISA-N -1 1 302.338 0.807 20 0 DCADMM CC1=C[C@@H](C)CN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001590156737 1166792484 /nfs/dbraw/zinc/79/24/84/1166792484.db2.gz IHABEPQWLVKSNY-PSASIEDQSA-N -1 1 302.342 0.444 20 0 DCADMM C[C@H]1C(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C(=O)N1C1CC1 ZINC001590165924 1166794861 /nfs/dbraw/zinc/79/48/61/1166794861.db2.gz QKBNZBYJGSVZAG-LURJTMIESA-N -1 1 319.350 0.638 20 0 DCADMM C[C@H]1C(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C(=O)N1C1CC1 ZINC001590165924 1166794865 /nfs/dbraw/zinc/79/48/65/1166794865.db2.gz QKBNZBYJGSVZAG-LURJTMIESA-N -1 1 319.350 0.638 20 0 DCADMM C[C@H]1C[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001590183300 1166804691 /nfs/dbraw/zinc/80/46/91/1166804691.db2.gz HTQVZQPAGZBNJT-YUMQZZPRSA-N -1 1 308.367 0.755 20 0 DCADMM C[C@H]1C[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001590183300 1166804697 /nfs/dbraw/zinc/80/46/97/1166804697.db2.gz HTQVZQPAGZBNJT-YUMQZZPRSA-N -1 1 308.367 0.755 20 0 DCADMM C[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C(=O)O1 ZINC001590198223 1166808867 /nfs/dbraw/zinc/80/88/67/1166808867.db2.gz AUGVEPDLBDBVLI-XPUUQOCRSA-N -1 1 303.282 0.087 20 0 DCADMM C[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C(=O)O1 ZINC001590198223 1166808872 /nfs/dbraw/zinc/80/88/72/1166808872.db2.gz AUGVEPDLBDBVLI-XPUUQOCRSA-N -1 1 303.282 0.087 20 0 DCADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590222585 1166818448 /nfs/dbraw/zinc/81/84/48/1166818448.db2.gz LEJSUAALUDFNRG-GWOFURMSSA-N -1 1 316.369 0.257 20 0 DCADMM C[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CS1(=O)=O ZINC001590238602 1166825330 /nfs/dbraw/zinc/82/53/30/1166825330.db2.gz GNZZWOXNUYXLPY-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CS1(=O)=O ZINC001590238602 1166825335 /nfs/dbraw/zinc/82/53/35/1166825335.db2.gz GNZZWOXNUYXLPY-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CCC[C@@]1(O)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590250690 1166826568 /nfs/dbraw/zinc/82/65/68/1166826568.db2.gz WJGFTQQHXGBJES-LKFCYVNXSA-N -1 1 302.338 0.543 20 0 DCADMM C[C@H]1CCC[C@@]1(O)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590250690 1166826573 /nfs/dbraw/zinc/82/65/73/1166826573.db2.gz WJGFTQQHXGBJES-LKFCYVNXSA-N -1 1 302.338 0.543 20 0 DCADMM C[C@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001590263721 1166828626 /nfs/dbraw/zinc/82/86/26/1166828626.db2.gz KPUYNJXZTYQPAP-CABZTGNLSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001590263721 1166828631 /nfs/dbraw/zinc/82/86/31/1166828631.db2.gz KPUYNJXZTYQPAP-CABZTGNLSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1CO ZINC001590270325 1166832276 /nfs/dbraw/zinc/83/22/76/1166832276.db2.gz UGSSFUWMWMGGKV-ONGXEEELSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1CO ZINC001590270325 1166832281 /nfs/dbraw/zinc/83/22/81/1166832281.db2.gz UGSSFUWMWMGGKV-ONGXEEELSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@H]1O ZINC001590277316 1166837655 /nfs/dbraw/zinc/83/76/55/1166837655.db2.gz VJGSKGVTDMQJOY-GZMMTYOYSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@H]1O ZINC001590277316 1166837663 /nfs/dbraw/zinc/83/76/63/1166837663.db2.gz VJGSKGVTDMQJOY-GZMMTYOYSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H](C2CC2)O1 ZINC001590299597 1166847892 /nfs/dbraw/zinc/84/78/92/1166847892.db2.gz IKIGZKVWKRYQOZ-RNCFNFMXSA-N -1 1 314.349 0.901 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H](C2CC2)O1 ZINC001590299597 1166847898 /nfs/dbraw/zinc/84/78/98/1166847898.db2.gz IKIGZKVWKRYQOZ-RNCFNFMXSA-N -1 1 314.349 0.901 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCN1CCO ZINC001590299245 1166848904 /nfs/dbraw/zinc/84/89/04/1166848904.db2.gz ZFSXQVVFVOMFCH-VIFPVBQESA-N -1 1 322.394 0.067 20 0 DCADMM C[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590303484 1166849248 /nfs/dbraw/zinc/84/92/48/1166849248.db2.gz MMBXCZLDQLJSCH-ZETCQYMHSA-N -1 1 306.351 0.231 20 0 DCADMM C[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590303484 1166849254 /nfs/dbraw/zinc/84/92/54/1166849254.db2.gz MMBXCZLDQLJSCH-ZETCQYMHSA-N -1 1 306.351 0.231 20 0 DCADMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@](C)(C(F)F)O1 ZINC001590317381 1166863989 /nfs/dbraw/zinc/86/39/89/1166863989.db2.gz YNRHJJZHLYPYBV-JVXZTZIISA-N -1 1 311.296 0.906 20 0 DCADMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@](C)(C(F)F)O1 ZINC001590317381 1166863995 /nfs/dbraw/zinc/86/39/95/1166863995.db2.gz YNRHJJZHLYPYBV-JVXZTZIISA-N -1 1 311.296 0.906 20 0 DCADMM C[C@H]1CO[C@H](C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)C1 ZINC001590322879 1166865365 /nfs/dbraw/zinc/86/53/65/1166865365.db2.gz VTWKMGXKLOFYBH-RNCFNFMXSA-N -1 1 314.349 0.966 20 0 DCADMM C[C@H]1CO[C@H](C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)C1 ZINC001590322879 1166865372 /nfs/dbraw/zinc/86/53/72/1166865372.db2.gz VTWKMGXKLOFYBH-RNCFNFMXSA-N -1 1 314.349 0.966 20 0 DCADMM C[C@@H]1OCC[C@@]1(C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590333890 1166870418 /nfs/dbraw/zinc/87/04/18/1166870418.db2.gz LNNGYPXNFKRODU-ISVAXAHUSA-N -1 1 303.326 0.951 20 0 DCADMM C[C@@H]1OCC[C@@]1(C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590333890 1166870423 /nfs/dbraw/zinc/87/04/23/1166870423.db2.gz LNNGYPXNFKRODU-ISVAXAHUSA-N -1 1 303.326 0.951 20 0 DCADMM C[C@H]1OCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)[C@@H]1C ZINC001590336056 1166873177 /nfs/dbraw/zinc/87/31/77/1166873177.db2.gz JHFNGZKWKODWRQ-HTQZYQBOSA-N -1 1 323.382 0.642 20 0 DCADMM C[C@H]1OCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)[C@@H]1C ZINC001590336056 1166873183 /nfs/dbraw/zinc/87/31/83/1166873183.db2.gz JHFNGZKWKODWRQ-HTQZYQBOSA-N -1 1 323.382 0.642 20 0 DCADMM C/C=C(\C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001590342834 1166876013 /nfs/dbraw/zinc/87/60/13/1166876013.db2.gz QTEJALVNBVPRPO-OTVCUZDGSA-N -1 1 314.353 0.636 20 0 DCADMM C/C=C(\C)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001590342834 1166876020 /nfs/dbraw/zinc/87/60/20/1166876020.db2.gz QTEJALVNBVPRPO-OTVCUZDGSA-N -1 1 314.353 0.636 20 0 DCADMM CCC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590360367 1166884633 /nfs/dbraw/zinc/88/46/33/1166884633.db2.gz WSQIXZWCJXXCKL-UHFFFAOYSA-N -1 1 313.314 0.263 20 0 DCADMM CCC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590361388 1166885387 /nfs/dbraw/zinc/88/53/87/1166885387.db2.gz ATOJTEPILWRHMA-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590361388 1166885390 /nfs/dbraw/zinc/88/53/90/1166885390.db2.gz ATOJTEPILWRHMA-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(C)(C)NC(=O)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590376446 1166892236 /nfs/dbraw/zinc/89/22/36/1166892236.db2.gz CBVWNQBIYRRRLS-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CCC(C)(C)NC(=O)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590376446 1166892238 /nfs/dbraw/zinc/89/22/38/1166892238.db2.gz CBVWNQBIYRRRLS-UHFFFAOYSA-N -1 1 318.337 0.723 20 0 DCADMM CC/C(C)=C/C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590387444 1166894046 /nfs/dbraw/zinc/89/40/46/1166894046.db2.gz BIVOVFZTDICLNC-PCYYEKQGSA-N -1 1 316.369 0.352 20 0 DCADMM CC[C@@H](C)C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590393951 1166896657 /nfs/dbraw/zinc/89/66/57/1166896657.db2.gz OARKLNTWAFGASW-SECBINFHSA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@@H](C)C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590393951 1166896665 /nfs/dbraw/zinc/89/66/65/1166896665.db2.gz OARKLNTWAFGASW-SECBINFHSA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](C)C(=O)NCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590394347 1166897844 /nfs/dbraw/zinc/89/78/44/1166897844.db2.gz YKHXIEBKPNWABV-VIFPVBQESA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](C)C(=O)NCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590394347 1166897851 /nfs/dbraw/zinc/89/78/51/1166897851.db2.gz YKHXIEBKPNWABV-VIFPVBQESA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590395282 1166898175 /nfs/dbraw/zinc/89/81/75/1166898175.db2.gz ZWTNVGQIBWJHGQ-IUCAKERBSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590395282 1166898182 /nfs/dbraw/zinc/89/81/82/1166898182.db2.gz ZWTNVGQIBWJHGQ-IUCAKERBSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](C)[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590398999 1166898755 /nfs/dbraw/zinc/89/87/55/1166898755.db2.gz GYQGAVOGVSTCEF-SFYZADRCSA-N -1 1 307.358 0.111 20 0 DCADMM CC[C@@H](C)NC(=O)CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590413342 1166902121 /nfs/dbraw/zinc/90/21/21/1166902121.db2.gz XJGXDQAWNXTFJS-MRVPVSSYSA-N -1 1 322.394 0.963 20 0 DCADMM CC[C@@H](C)NC(=O)CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590413342 1166902132 /nfs/dbraw/zinc/90/21/32/1166902132.db2.gz XJGXDQAWNXTFJS-MRVPVSSYSA-N -1 1 322.394 0.963 20 0 DCADMM CCC(CC)(NC(=O)c1cccc(-c2nnn[n-]2)n1)C(N)=O ZINC001590427818 1166902460 /nfs/dbraw/zinc/90/24/60/1166902460.db2.gz NSAHLCWLRYACBD-UHFFFAOYSA-N -1 1 303.326 0.036 20 0 DCADMM CCC(CC)(NC(=O)c1cccc(-c2nn[n-]n2)n1)C(N)=O ZINC001590427818 1166902467 /nfs/dbraw/zinc/90/24/67/1166902467.db2.gz NSAHLCWLRYACBD-UHFFFAOYSA-N -1 1 303.326 0.036 20 0 DCADMM CC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@H](O)C(F)(F)F ZINC001590472742 1166917784 /nfs/dbraw/zinc/91/77/84/1166917784.db2.gz HCOLLTBJVIWPGA-CBAPKCEASA-N -1 1 302.260 0.797 20 0 DCADMM CC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)[C@H](O)C(F)(F)F ZINC001590472742 1166917788 /nfs/dbraw/zinc/91/77/88/1166917788.db2.gz HCOLLTBJVIWPGA-CBAPKCEASA-N -1 1 302.260 0.797 20 0 DCADMM CCC1(CC)CN(c2nccnc2-c2nnn[n-]2)CC[S@]1=O ZINC001590493556 1166922993 /nfs/dbraw/zinc/92/29/93/1166922993.db2.gz LXLIIFDRDPNLQL-JOCHJYFZSA-N -1 1 321.410 0.784 20 0 DCADMM CCC1(CC)CN(c2nccnc2-c2nn[n-]n2)CC[S@]1=O ZINC001590493556 1166923005 /nfs/dbraw/zinc/92/30/05/1166923005.db2.gz LXLIIFDRDPNLQL-JOCHJYFZSA-N -1 1 321.410 0.784 20 0 DCADMM CC[C@H]1[C@@H](CO)CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590502906 1166927127 /nfs/dbraw/zinc/92/71/27/1166927127.db2.gz UFWMFRKYDDSWJX-SKDRFNHKSA-N -1 1 302.338 0.495 20 0 DCADMM CC[C@H]1[C@@H](CO)CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590502906 1166927142 /nfs/dbraw/zinc/92/71/42/1166927142.db2.gz UFWMFRKYDDSWJX-SKDRFNHKSA-N -1 1 302.338 0.495 20 0 DCADMM CC[C@@H]1[C@H](CO)CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590502833 1166927203 /nfs/dbraw/zinc/92/72/03/1166927203.db2.gz UFWMFRKYDDSWJX-JOYOIKCWSA-N -1 1 302.338 0.495 20 0 DCADMM CC[C@@H]1[C@H](CO)CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590502833 1166927214 /nfs/dbraw/zinc/92/72/14/1166927214.db2.gz UFWMFRKYDDSWJX-JOYOIKCWSA-N -1 1 302.338 0.495 20 0 DCADMM CC[C@H]1CCCC[C@@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590510030 1166927704 /nfs/dbraw/zinc/92/77/04/1166927704.db2.gz DYZVROSIGMPMMN-WDEREUQCSA-N -1 1 318.385 0.791 20 0 DCADMM CC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)CO1 ZINC001590522671 1166933719 /nfs/dbraw/zinc/93/37/19/1166933719.db2.gz WOYCVTUMPQOIGN-GXSJLCMTSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)CO1 ZINC001590522671 1166933722 /nfs/dbraw/zinc/93/37/22/1166933722.db2.gz WOYCVTUMPQOIGN-GXSJLCMTSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H](C)S1(=O)=O ZINC001590521257 1166933790 /nfs/dbraw/zinc/93/37/90/1166933790.db2.gz LVTATEUXHAKDEW-IUCAKERBSA-N -1 1 323.382 0.059 20 0 DCADMM CCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590538559 1166939420 /nfs/dbraw/zinc/93/94/20/1166939420.db2.gz VHFPHVQYBJMTBC-DTORHVGOSA-N -1 1 302.342 0.516 20 0 DCADMM CCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590538559 1166939426 /nfs/dbraw/zinc/93/94/26/1166939426.db2.gz VHFPHVQYBJMTBC-DTORHVGOSA-N -1 1 302.342 0.516 20 0 DCADMM CCCC(=O)NCCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590537903 1166940293 /nfs/dbraw/zinc/94/02/93/1166940293.db2.gz CKHQEBKVJQJLBW-UHFFFAOYSA-N -1 1 304.358 0.547 20 0 DCADMM CCCC(=O)NCCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590537903 1166940296 /nfs/dbraw/zinc/94/02/96/1166940296.db2.gz CKHQEBKVJQJLBW-UHFFFAOYSA-N -1 1 304.358 0.547 20 0 DCADMM CCCC(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590536846 1166940634 /nfs/dbraw/zinc/94/06/34/1166940634.db2.gz TUYHPTLWSCELIO-RKDXNWHRSA-N -1 1 304.358 0.762 20 0 DCADMM CCCC(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590536846 1166940637 /nfs/dbraw/zinc/94/06/37/1166940637.db2.gz TUYHPTLWSCELIO-RKDXNWHRSA-N -1 1 304.358 0.762 20 0 DCADMM CCC[C@@H](C)[C@@H](CO)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590547309 1166942599 /nfs/dbraw/zinc/94/25/99/1166942599.db2.gz CDQKZKHTRBOREY-ZWNOBZJWSA-N -1 1 318.381 0.718 20 0 DCADMM CCC[C@@H](C)[C@@H](CO)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590547309 1166942604 /nfs/dbraw/zinc/94/26/04/1166942604.db2.gz CDQKZKHTRBOREY-ZWNOBZJWSA-N -1 1 318.381 0.718 20 0 DCADMM CCCCOCCOCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590612773 1166948918 /nfs/dbraw/zinc/94/89/18/1166948918.db2.gz OABORPWUIRUCOC-UHFFFAOYSA-N -1 1 307.358 0.324 20 0 DCADMM CCCCOCCn1c(=O)c(-c2nn[n-]n2)cn(CC)c1=O ZINC001590613246 1166949520 /nfs/dbraw/zinc/94/95/20/1166949520.db2.gz RCWLKJKHZIVYQB-UHFFFAOYSA-N -1 1 308.342 0.027 20 0 DCADMM CCCn1c(C)nnc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001590662290 1166962289 /nfs/dbraw/zinc/96/22/89/1166962289.db2.gz NUDCOGHKYIUSNO-UHFFFAOYSA-N -1 1 301.314 0.546 20 0 DCADMM CCN(CC)C(=O)COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590684379 1166973846 /nfs/dbraw/zinc/97/38/46/1166973846.db2.gz ZPGRFFIZIBJNSU-UHFFFAOYSA-N 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CCn1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)nn1 ZINC001590953585 1167059995 /nfs/dbraw/zinc/05/99/95/1167059995.db2.gz LTJQMORFBJJBPD-UHFFFAOYSA-N -1 1 304.339 0.470 20 0 DCADMM CCn1ncc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001590968691 1167061631 /nfs/dbraw/zinc/06/16/31/1167061631.db2.gz SCUJFTIZTBOSFN-UHFFFAOYSA-N -1 1 316.300 0.547 20 0 DCADMM CCn1ncc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001590968691 1167061638 /nfs/dbraw/zinc/06/16/38/1167061638.db2.gz SCUJFTIZTBOSFN-UHFFFAOYSA-N -1 1 316.300 0.547 20 0 DCADMM CN(C)C(=O)C1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001590999757 1167068866 /nfs/dbraw/zinc/06/88/66/1167068866.db2.gz OKYAPAZUIUCJFU-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(C)C(=O)C1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001590999757 1167068870 /nfs/dbraw/zinc/06/88/70/1167068870.db2.gz OKYAPAZUIUCJFU-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)OC(C)(C)C ZINC001591106511 1167105282 /nfs/dbraw/zinc/10/52/82/1167105282.db2.gz USCSYWUSWAFHAC-UHFFFAOYSA-N 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/nfs/dbraw/zinc/13/78/80/1167137880.db2.gz RXGAKFAZISYYBB-VIFPVBQESA-N -1 1 316.325 0.004 20 0 DCADMM CNC(=O)[C@H](C)CN(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001591198537 1167147475 /nfs/dbraw/zinc/14/74/75/1167147475.db2.gz XPHNUYQLPSEEAF-SSDOTTSWSA-N -1 1 308.367 0.382 20 0 DCADMM CNC(=O)[C@H](C)CN(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001591198537 1167147481 /nfs/dbraw/zinc/14/74/81/1167147481.db2.gz XPHNUYQLPSEEAF-SSDOTTSWSA-N -1 1 308.367 0.382 20 0 DCADMM CNC(=O)CC1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001591204826 1167155788 /nfs/dbraw/zinc/15/57/88/1167155788.db2.gz MFIVLWTVRTYKDE-UHFFFAOYSA-N -1 1 316.369 0.318 20 0 DCADMM CNC(=O)CC1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001591204826 1167155790 /nfs/dbraw/zinc/15/57/90/1167155790.db2.gz MFIVLWTVRTYKDE-UHFFFAOYSA-N -1 1 316.369 0.318 20 0 DCADMM CNC(=O)c1ccc(CNc2ncncc2-c2nn[n-]n2)cc1 ZINC001591213139 1167159932 /nfs/dbraw/zinc/15/99/32/1167159932.db2.gz LNZVVDWXYXNJAD-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM COC(=O)[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001591247975 1167176009 /nfs/dbraw/zinc/17/60/09/1167176009.db2.gz IGNBKSVKZFEDOO-VIFPVBQESA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001591247975 1167176015 /nfs/dbraw/zinc/17/60/15/1167176015.db2.gz IGNBKSVKZFEDOO-VIFPVBQESA-N -1 1 315.337 0.436 20 0 DCADMM COC(=O)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001591251927 1167179550 /nfs/dbraw/zinc/17/95/50/1167179550.db2.gz GTDKVNANKFHCBQ-IUCAKERBSA-N -1 1 303.326 0.353 20 0 DCADMM COC(=O)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001591251927 1167179564 /nfs/dbraw/zinc/17/95/64/1167179564.db2.gz GTDKVNANKFHCBQ-IUCAKERBSA-N -1 1 303.326 0.353 20 0 DCADMM COC(=O)/C=C(/C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001591257963 1167180876 /nfs/dbraw/zinc/18/08/76/1167180876.db2.gz ZJPJTUPQEWTAIN-TWGQIWQCSA-N -1 1 315.333 0.636 20 0 DCADMM COC(=O)CC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001591262971 1167186714 /nfs/dbraw/zinc/18/67/14/1167186714.db2.gz KWTOYGBCWIAYBP-SNVBAGLBSA-N -1 1 317.353 0.826 20 0 DCADMM COC(=O)CC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001591262971 1167186717 /nfs/dbraw/zinc/18/67/17/1167186717.db2.gz KWTOYGBCWIAYBP-SNVBAGLBSA-N -1 1 317.353 0.826 20 0 DCADMM COC(=O)CSc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001591268114 1167189603 /nfs/dbraw/zinc/18/96/03/1167189603.db2.gz DKVVRASAQZDLCC-UHFFFAOYSA-N -1 1 309.307 0.313 20 0 DCADMM COC(=O)CSc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001591268114 1167189608 /nfs/dbraw/zinc/18/96/08/1167189608.db2.gz DKVVRASAQZDLCC-UHFFFAOYSA-N -1 1 309.307 0.313 20 0 DCADMM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001591278158 1167196425 /nfs/dbraw/zinc/19/64/25/1167196425.db2.gz QNAWEUKDQHGHMF-DTWKUNHWSA-N -1 1 317.305 0.710 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001591279221 1167197448 /nfs/dbraw/zinc/19/74/48/1167197448.db2.gz AKBRJMXRXHHBOD-RITPCOANSA-N -1 1 309.307 0.176 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001591279221 1167197454 /nfs/dbraw/zinc/19/74/54/1167197454.db2.gz AKBRJMXRXHHBOD-RITPCOANSA-N -1 1 309.307 0.176 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCOC(F)F)c1 ZINC001591285658 1167201581 /nfs/dbraw/zinc/20/15/81/1167201581.db2.gz LJVALLVQKFXGDB-UHFFFAOYSA-N -1 1 315.236 0.054 20 0 DCADMM COC(=O)c1ccc(N2CC[C@@H]2C(F)F)c(-c2nnn[n-]2)n1 ZINC001591294199 1167202607 /nfs/dbraw/zinc/20/26/07/1167202607.db2.gz CWJWPPWAANTPLA-MRVPVSSYSA-N -1 1 310.264 0.892 20 0 DCADMM COC(=O)c1ccc(N2CC[C@@H]2C(F)F)c(-c2nn[n-]n2)n1 ZINC001591294199 1167202612 /nfs/dbraw/zinc/20/26/12/1167202612.db2.gz CWJWPPWAANTPLA-MRVPVSSYSA-N -1 1 310.264 0.892 20 0 DCADMM COC(=O)c1ccc(N[C@H]2C[C@H](O)C2(C)C)c(-c2nnn[n-]2)n1 ZINC001591296766 1167203508 /nfs/dbraw/zinc/20/35/08/1167203508.db2.gz XZYMTRUEGRWJHI-UWVGGRQHSA-N -1 1 318.337 0.620 20 0 DCADMM COC(=O)c1ccc(N[C@H]2C[C@H](O)C2(C)C)c(-c2nn[n-]n2)n1 ZINC001591296766 1167203512 /nfs/dbraw/zinc/20/35/12/1167203512.db2.gz XZYMTRUEGRWJHI-UWVGGRQHSA-N -1 1 318.337 0.620 20 0 DCADMM COC(=O)c1ccccc1Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001591304294 1167207115 /nfs/dbraw/zinc/20/71/15/1167207115.db2.gz QUAOZSCFYUMXGJ-UHFFFAOYSA-N -1 1 311.301 0.863 20 0 DCADMM CO[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCOC1 ZINC001591313932 1167210824 /nfs/dbraw/zinc/21/08/24/1167210824.db2.gz GRMGRRHNAZJUPN-PWSUYJOCSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC001591313932 1167210829 /nfs/dbraw/zinc/21/08/29/1167210829.db2.gz GRMGRRHNAZJUPN-PWSUYJOCSA-N -1 1 319.321 0.356 20 0 DCADMM CO[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)oc1C)[C@@H]1CCOC1 ZINC001591330654 1167218803 /nfs/dbraw/zinc/21/88/03/1167218803.db2.gz UGCSEPBAMPIKLZ-SKDRFNHKSA-N -1 1 321.337 0.549 20 0 DCADMM CO[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)oc1C)[C@@H]1CCOC1 ZINC001591330654 1167218811 /nfs/dbraw/zinc/21/88/11/1167218811.db2.gz UGCSEPBAMPIKLZ-SKDRFNHKSA-N -1 1 321.337 0.549 20 0 DCADMM COC1(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CCCC1 ZINC001591342338 1167224091 /nfs/dbraw/zinc/22/40/91/1167224091.db2.gz LNOMGOLWPFQHKW-UHFFFAOYSA-N -1 1 321.341 0.037 20 0 DCADMM CO[C@@H]1CC[C@H](C)N(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001591348296 1167228399 /nfs/dbraw/zinc/22/83/99/1167228399.db2.gz QVIJALYZRUKUEC-IVZWLZJFSA-N -1 1 320.357 0.045 20 0 DCADMM CO[C@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001591354352 1167231619 /nfs/dbraw/zinc/23/16/19/1167231619.db2.gz LXTXKBMTJCBGJE-UWVGGRQHSA-N -1 1 320.357 0.047 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591360581 1167234243 /nfs/dbraw/zinc/23/42/43/1167234243.db2.gz IZQUAWNEGYZJTB-MWLCHTKSSA-N -1 1 305.342 0.429 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591360581 1167234248 /nfs/dbraw/zinc/23/42/48/1167234248.db2.gz IZQUAWNEGYZJTB-MWLCHTKSSA-N -1 1 305.342 0.429 20 0 DCADMM COCC(C)(C)CCNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001591369840 1167243050 /nfs/dbraw/zinc/24/30/50/1167243050.db2.gz YTOKEGVSXHLYNQ-UHFFFAOYSA-N -1 1 323.357 0.141 20 0 DCADMM COCC1(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CCC1 ZINC001591388880 1167256960 /nfs/dbraw/zinc/25/69/60/1167256960.db2.gz LQZQNNATZBENOR-UHFFFAOYSA-N -1 1 323.382 0.692 20 0 DCADMM COCC1(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CCC1 ZINC001591388880 1167256964 /nfs/dbraw/zinc/25/69/64/1167256964.db2.gz LQZQNNATZBENOR-UHFFFAOYSA-N -1 1 323.382 0.692 20 0 DCADMM COC[C@H]1CCCN1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591393426 1167260112 /nfs/dbraw/zinc/26/01/12/1167260112.db2.gz BVKUPPQWIPMVOI-SECBINFHSA-N -1 1 320.328 0.761 20 0 DCADMM COC[C@H]1CCCN1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591393426 1167260119 /nfs/dbraw/zinc/26/01/19/1167260119.db2.gz BVKUPPQWIPMVOI-SECBINFHSA-N -1 1 320.328 0.761 20 0 DCADMM COC[C@@H]1CCCN1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591394150 1167260518 /nfs/dbraw/zinc/26/05/18/1167260518.db2.gz NOFZNTPMVQMIKK-JTQLQIEISA-N -1 1 303.326 0.017 20 0 DCADMM COC[C@@H]1CCCN1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591394150 1167260520 /nfs/dbraw/zinc/26/05/20/1167260520.db2.gz NOFZNTPMVQMIKK-JTQLQIEISA-N -1 1 303.326 0.017 20 0 DCADMM COCC1(NS(=O)(=O)c2cccnc2-c2nn[n-]n2)CCC1 ZINC001591391027 1167261378 /nfs/dbraw/zinc/26/13/78/1167261378.db2.gz UBAIYIRUKKZHLF-UHFFFAOYSA-N -1 1 324.366 0.109 20 0 DCADMM COCCCn1ccc(Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001591419945 1167279276 /nfs/dbraw/zinc/27/92/76/1167279276.db2.gz ZYKBRQDYSMZBCM-UHFFFAOYSA-N -1 1 301.314 0.055 20 0 DCADMM COCCOCCC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001591435806 1167287093 /nfs/dbraw/zinc/28/70/93/1167287093.db2.gz IFHXZMOCTIAHMI-UHFFFAOYSA-N -1 1 306.326 0.278 20 0 DCADMM COCCOCCC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001591435806 1167287102 /nfs/dbraw/zinc/28/71/02/1167287102.db2.gz IFHXZMOCTIAHMI-UHFFFAOYSA-N -1 1 306.326 0.278 20 0 DCADMM COCCOC[C@@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC001591437123 1167287144 /nfs/dbraw/zinc/28/71/44/1167287144.db2.gz SECHPFQORVMLBO-SECBINFHSA-N -1 1 312.301 0.409 20 0 DCADMM COCCOC[C@@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC001591437123 1167287149 /nfs/dbraw/zinc/28/71/49/1167287149.db2.gz SECHPFQORVMLBO-SECBINFHSA-N -1 1 312.301 0.409 20 0 DCADMM COCCc1ncc(CNc2n[nH]cc2-c2nnn[n-]2)s1 ZINC001591448011 1167288460 /nfs/dbraw/zinc/28/84/60/1167288460.db2.gz SZISKPOTBMEZNZ-UHFFFAOYSA-N -1 1 306.355 0.847 20 0 DCADMM COCCc1ncc(CNc2n[nH]cc2-c2nn[n-]n2)s1 ZINC001591448011 1167288468 /nfs/dbraw/zinc/28/84/68/1167288468.db2.gz SZISKPOTBMEZNZ-UHFFFAOYSA-N -1 1 306.355 0.847 20 0 DCADMM CON(C)C(=O)[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591462800 1167297230 /nfs/dbraw/zinc/29/72/30/1167297230.db2.gz OIAIKEBHHFREEQ-SSDOTTSWSA-N -1 1 318.341 0.354 20 0 DCADMM CON(C)C(=O)[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591462800 1167297236 /nfs/dbraw/zinc/29/72/36/1167297236.db2.gz OIAIKEBHHFREEQ-SSDOTTSWSA-N -1 1 318.341 0.354 20 0 DCADMM CO[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001591470386 1167300499 /nfs/dbraw/zinc/30/04/99/1167300499.db2.gz GERVQNYVVGZAHJ-RFZPGFLSSA-N -1 1 302.747 0.173 20 0 DCADMM CON1CC[C@H](OC(=O)c2csc(-c3nnn[n-]3)c2)C1=O ZINC001591468129 1167302442 /nfs/dbraw/zinc/30/24/42/1167302442.db2.gz GVTRALXISDKPAO-ZETCQYMHSA-N -1 1 309.307 0.247 20 0 DCADMM CON1CC[C@H](OC(=O)c2csc(-c3nn[n-]n3)c2)C1=O ZINC001591468129 1167302448 /nfs/dbraw/zinc/30/24/48/1167302448.db2.gz GVTRALXISDKPAO-ZETCQYMHSA-N -1 1 309.307 0.247 20 0 DCADMM COc1cc(CN(C)c2cc(-c3nnn[n-]3)ncn2)sn1 ZINC001591526286 1167323419 /nfs/dbraw/zinc/32/34/19/1167323419.db2.gz QINVSABQACIZEV-UHFFFAOYSA-N -1 1 304.339 0.758 20 0 DCADMM COc1cc(CN(C)c2cc(-c3nn[n-]n3)ncn2)sn1 ZINC001591526286 1167323426 /nfs/dbraw/zinc/32/34/26/1167323426.db2.gz QINVSABQACIZEV-UHFFFAOYSA-N -1 1 304.339 0.758 20 0 DCADMM COc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1OC ZINC001591602170 1167336975 /nfs/dbraw/zinc/33/69/75/1167336975.db2.gz FXKAOCMABWWOML-UHFFFAOYSA-N -1 1 313.321 0.708 20 0 DCADMM COc1ccccc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591650701 1167340412 /nfs/dbraw/zinc/34/04/12/1167340412.db2.gz HKUJHYOPSOUQLA-QMMMGPOBSA-N -1 1 314.309 0.667 20 0 DCADMM COc1ccccc1C(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001591645987 1167340828 /nfs/dbraw/zinc/34/08/28/1167340828.db2.gz LICXSDCZKGMNDV-UHFFFAOYSA-N -1 1 311.301 0.920 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001591674226 1167349024 /nfs/dbraw/zinc/34/90/24/1167349024.db2.gz RUNZUBYKACBFEW-SNVBAGLBSA-N -1 1 311.367 0.469 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001591674226 1167349027 /nfs/dbraw/zinc/34/90/27/1167349027.db2.gz RUNZUBYKACBFEW-SNVBAGLBSA-N -1 1 311.367 0.469 20 0 DCADMM CS[C@@H]1CCN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)C1 ZINC001591693862 1167356207 /nfs/dbraw/zinc/35/62/07/1167356207.db2.gz VAZKQYBTZAPGLN-SNVBAGLBSA-N -1 1 306.395 0.732 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)Nc2cc[nH]n2)cc1-c1nn[n-]n1 ZINC001591706080 1167358788 /nfs/dbraw/zinc/35/87/88/1167358788.db2.gz XZBMYZOKGYIRMY-UHFFFAOYSA-N -1 1 318.322 0.665 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCC[C@@H](C)CO ZINC001591835720 1167390269 /nfs/dbraw/zinc/39/02/69/1167390269.db2.gz JTUIQRHIGPJBRM-MRVPVSSYSA-N -1 1 320.353 0.414 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@@H]2[C@H]2CCCO2)n1 ZINC001591888924 1167411295 /nfs/dbraw/zinc/41/12/95/1167411295.db2.gz UGFZJMMJYVGSTK-VXGBXAGGSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@@H]2[C@H]2CCCO2)n1 ZINC001591888924 1167411298 /nfs/dbraw/zinc/41/12/98/1167411298.db2.gz UGFZJMMJYVGSTK-VXGBXAGGSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C)[S@@](=O)CC2)n1 ZINC001591885289 1167411615 /nfs/dbraw/zinc/41/16/15/1167411615.db2.gz OMIMQIHDSSGYAN-BTKVJGODSA-N -1 1 307.383 0.312 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C)[S@@](=O)CC2)n1 ZINC001591885289 1167411616 /nfs/dbraw/zinc/41/16/16/1167411616.db2.gz OMIMQIHDSSGYAN-BTKVJGODSA-N -1 1 307.383 0.312 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@]3(CCCOC3)C2)n1 ZINC001591888262 1167411841 /nfs/dbraw/zinc/41/18/41/1167411841.db2.gz HVWPGQOYEJUXRE-AWEZNQCLSA-N -1 1 317.353 0.351 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@]3(CCCOC3)C2)n1 ZINC001591888262 1167411844 /nfs/dbraw/zinc/41/18/44/1167411844.db2.gz HVWPGQOYEJUXRE-AWEZNQCLSA-N -1 1 317.353 0.351 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC/C=C/CNC(=O)C(C)C)n1 ZINC001591896663 1167412568 /nfs/dbraw/zinc/41/25/68/1167412568.db2.gz OPGHOZVIWYLILT-SNAWJCMRSA-N -1 1 316.369 0.705 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC/C=C/CNC(=O)C(C)C)n1 ZINC001591896663 1167412570 /nfs/dbraw/zinc/41/25/70/1167412570.db2.gz OPGHOZVIWYLILT-SNAWJCMRSA-N -1 1 316.369 0.705 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](CO)Cc2ccco2)n1 ZINC001591894525 1167412762 /nfs/dbraw/zinc/41/27/62/1167412762.db2.gz KGQPXJYEBGCBGQ-JTQLQIEISA-N -1 1 315.337 0.821 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](CO)Cc2ccco2)n1 ZINC001591894525 1167412764 /nfs/dbraw/zinc/41/27/64/1167412764.db2.gz KGQPXJYEBGCBGQ-JTQLQIEISA-N -1 1 315.337 0.821 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCC[C@H]2CCOC2=O)n1 ZINC001591898370 1167413239 /nfs/dbraw/zinc/41/32/39/1167413239.db2.gz QIIOMAJAMZQNQO-VIFPVBQESA-N -1 1 303.326 0.720 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCC[C@H]2CCOC2=O)n1 ZINC001591898370 1167413243 /nfs/dbraw/zinc/41/32/43/1167413243.db2.gz QIIOMAJAMZQNQO-VIFPVBQESA-N -1 1 303.326 0.720 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ncc(Cl)n2C)n1 ZINC001591901292 1167415712 /nfs/dbraw/zinc/41/57/12/1167415712.db2.gz VUVAVHQBAVYNBO-UHFFFAOYSA-N -1 1 305.733 0.964 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ncc(Cl)n2C)n1 ZINC001591901292 1167415715 /nfs/dbraw/zinc/41/57/15/1167415715.db2.gz VUVAVHQBAVYNBO-UHFFFAOYSA-N -1 1 305.733 0.964 20 0 DCADMM Cc1cc(C)cc(OC[C@H](O)Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001591954584 1167426017 /nfs/dbraw/zinc/42/60/17/1167426017.db2.gz BWVCSNWPIZQYNJ-LLVKDONJSA-N -1 1 315.337 0.515 20 0 DCADMM Cc1cc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001591999624 1167432626 /nfs/dbraw/zinc/43/26/26/1167432626.db2.gz RCYWFFGYFJJNSH-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001591999624 1167432628 /nfs/dbraw/zinc/43/26/28/1167432628.db2.gz RCYWFFGYFJJNSH-ABAIWWIYSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc(-c2nnn[n-]2)n1 ZINC001592036276 1167441205 /nfs/dbraw/zinc/44/12/05/1167441205.db2.gz POIMGLKDBXXWHS-DYLAAIIWSA-N -1 1 313.365 0.413 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc(-c2nn[n-]n2)n1 ZINC001592036276 1167441212 /nfs/dbraw/zinc/44/12/12/1167441212.db2.gz POIMGLKDBXXWHS-DYLAAIIWSA-N -1 1 313.365 0.413 20 0 DCADMM Cc1cc(NCC[C@@H]2CC(=O)N(C)C2)cc(-c2nnn[n-]2)n1 ZINC001592046129 1167443928 /nfs/dbraw/zinc/44/39/28/1167443928.db2.gz PAZJOJMQVWQQMB-SNVBAGLBSA-N -1 1 301.354 0.850 20 0 DCADMM Cc1cc(NCC[C@@H]2CC(=O)N(C)C2)cc(-c2nn[n-]n2)n1 ZINC001592046129 1167443932 /nfs/dbraw/zinc/44/39/32/1167443932.db2.gz PAZJOJMQVWQQMB-SNVBAGLBSA-N -1 1 301.354 0.850 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCN1CCCC1=O ZINC001592114037 1167457284 /nfs/dbraw/zinc/45/72/84/1167457284.db2.gz MNQHLJJSBWJOAQ-UHFFFAOYSA-N -1 1 301.354 0.995 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001592115060 1167459071 /nfs/dbraw/zinc/45/90/71/1167459071.db2.gz XIGHIXKJUMWGSN-LLVKDONJSA-N -1 1 313.365 0.993 20 0 DCADMM Cc1ccc(NCC2CCS(=O)(=O)CC2)c(-c2nnn[n-]2)n1 ZINC001592182960 1167469880 /nfs/dbraw/zinc/46/98/80/1167469880.db2.gz HKFYAMNHGZJCOF-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(NCC2CCS(=O)(=O)CC2)c(-c2nn[n-]n2)n1 ZINC001592182960 1167469885 /nfs/dbraw/zinc/46/98/85/1167469885.db2.gz HKFYAMNHGZJCOF-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1C(N)=O ZINC001592180197 1167470340 /nfs/dbraw/zinc/47/03/40/1167470340.db2.gz BWYSONHDHBJFAL-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1C(N)=O ZINC001592180197 1167470350 /nfs/dbraw/zinc/47/03/50/1167470350.db2.gz BWYSONHDHBJFAL-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccc(N2CC[C@H]3NC(=O)CC[C@H]3C2)nc1-c1nnn[n-]1 ZINC001592177646 1167471360 /nfs/dbraw/zinc/47/13/60/1167471360.db2.gz DYCBSGDHVLAYMS-WDEREUQCSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(N2CC[C@H]3NC(=O)CC[C@H]3C2)nc1-c1nn[n-]n1 ZINC001592177646 1167471362 /nfs/dbraw/zinc/47/13/62/1167471362.db2.gz DYCBSGDHVLAYMS-WDEREUQCSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(OCCn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)cc1 ZINC001592190657 1167473864 /nfs/dbraw/zinc/47/38/64/1167473864.db2.gz NRBPIHKJPOXRPR-UHFFFAOYSA-N -1 1 314.305 0.516 20 0 DCADMM Cc1cccc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1O ZINC001592236448 1167477678 /nfs/dbraw/zinc/47/76/78/1167477678.db2.gz BBPZTSONAIKAQS-MRVPVSSYSA-N -1 1 314.309 0.672 20 0 DCADMM Cc1cn(C)nc1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592285213 1167485238 /nfs/dbraw/zinc/48/52/38/1167485238.db2.gz LLUJFBLULGKJRS-UHFFFAOYSA-N -1 1 324.348 0.897 20 0 DCADMM Cc1nsc(NC(=O)c2cnc(C)cn2)c1-c1nnn[n-]1 ZINC001592292090 1167485426 /nfs/dbraw/zinc/48/54/26/1167485426.db2.gz VFIHYTLXTKHXPG-UHFFFAOYSA-N -1 1 302.323 0.982 20 0 DCADMM Cc1nsc(NC(=O)c2cnc(C)cn2)c1-c1nn[n-]n1 ZINC001592292090 1167485431 /nfs/dbraw/zinc/48/54/31/1167485431.db2.gz VFIHYTLXTKHXPG-UHFFFAOYSA-N -1 1 302.323 0.982 20 0 DCADMM Cc1n[nH]cc1CN(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592331805 1167490570 /nfs/dbraw/zinc/49/05/70/1167490570.db2.gz NKAXYYGRTIGJCY-UHFFFAOYSA-N -1 1 312.337 0.494 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccnc(N(C)C)c2)c1-c1nn[n-]n1 ZINC001592332873 1167491654 /nfs/dbraw/zinc/49/16/54/1167491654.db2.gz UFYCJNWUHZEYSX-UHFFFAOYSA-N -1 1 313.325 0.612 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(CC2CCS(=O)(=O)CC2)c1C ZINC001592339363 1167492698 /nfs/dbraw/zinc/49/26/98/1167492698.db2.gz JOFRKCFFKUEKHZ-UHFFFAOYSA-N -1 1 310.383 0.505 20 0 DCADMM Cc1nc(-c2nn[n-]n2)n(CC2CCS(=O)(=O)CC2)c1C ZINC001592339363 1167492704 /nfs/dbraw/zinc/49/27/04/1167492704.db2.gz JOFRKCFFKUEKHZ-UHFFFAOYSA-N -1 1 310.383 0.505 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)n1 ZINC001592338026 1167493390 /nfs/dbraw/zinc/49/33/90/1167493390.db2.gz SPPZJXISAMFGFI-ZJUUUORDSA-N -1 1 314.353 0.070 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)n1 ZINC001592338026 1167493393 /nfs/dbraw/zinc/49/33/93/1167493393.db2.gz SPPZJXISAMFGFI-ZJUUUORDSA-N -1 1 314.353 0.070 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCN(c3ccnnc3)CC2)n1 ZINC001592341334 1167495014 /nfs/dbraw/zinc/49/50/14/1167495014.db2.gz PWJYYEZJHVRLOE-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCN(c3ccnnc3)CC2)n1 ZINC001592341334 1167495019 /nfs/dbraw/zinc/49/50/19/1167495019.db2.gz PWJYYEZJHVRLOE-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)no1 ZINC001592362962 1167505760 /nfs/dbraw/zinc/50/57/60/1167505760.db2.gz MGIOFXSQDKMTQJ-UHFFFAOYSA-N -1 1 309.289 0.921 20 0 DCADMM Cc1nc(N[C@@H](C)[C@@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592378192 1167510513 /nfs/dbraw/zinc/51/05/13/1167510513.db2.gz FKPRKTWEWMJPCR-RNHFCUEFSA-N -1 1 303.248 0.689 20 0 DCADMM Cc1nc(N[C@@H](C)[C@@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592378192 1167510522 /nfs/dbraw/zinc/51/05/22/1167510522.db2.gz FKPRKTWEWMJPCR-RNHFCUEFSA-N -1 1 303.248 0.689 20 0 DCADMM Cc1nc(NCCO[C@H]2CCCCO2)cc(-c2nnn[n-]2)n1 ZINC001592390982 1167511730 /nfs/dbraw/zinc/51/17/30/1167511730.db2.gz APJVILUFTYBXAP-LBPRGKRZSA-N -1 1 305.342 0.920 20 0 DCADMM Cc1nc(NCCO[C@H]2CCCCO2)cc(-c2nn[n-]n2)n1 ZINC001592390982 1167511738 /nfs/dbraw/zinc/51/17/38/1167511738.db2.gz APJVILUFTYBXAP-LBPRGKRZSA-N -1 1 305.342 0.920 20 0 DCADMM Cc1nccc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)n1 ZINC001592416637 1167516683 /nfs/dbraw/zinc/51/66/83/1167516683.db2.gz MCWPHRDTSUIECC-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nccc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)n1 ZINC001592416637 1167516688 /nfs/dbraw/zinc/51/66/88/1167516688.db2.gz MCWPHRDTSUIECC-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](O)CNc1ncncc1-c1nn[n-]n1 ZINC001592427699 1167519493 /nfs/dbraw/zinc/51/94/93/1167519493.db2.gz NQHDQGYFPYCPHL-JTQLQIEISA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)c1-c1nnn[n-]1 ZINC001592433981 1167520023 /nfs/dbraw/zinc/52/00/23/1167520023.db2.gz KVQNGEOQBNEPNX-XVKPBYJWSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001592433981 1167520031 /nfs/dbraw/zinc/52/00/31/1167520031.db2.gz KVQNGEOQBNEPNX-XVKPBYJWSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nn(CC(=O)c2ccccc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438428 1167522346 /nfs/dbraw/zinc/52/23/46/1167522346.db2.gz ADFBXZFVWIKMPQ-UHFFFAOYSA-N -1 1 310.317 0.923 20 0 DCADMM Cc1nnc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)n1C ZINC001592441161 1167526214 /nfs/dbraw/zinc/52/62/14/1167526214.db2.gz JLDSICVXNCJORY-UHFFFAOYSA-N -1 1 318.366 0.338 20 0 DCADMM Cc1nnc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)n1C ZINC001592441161 1167526217 /nfs/dbraw/zinc/52/62/17/1167526217.db2.gz JLDSICVXNCJORY-UHFFFAOYSA-N -1 1 318.366 0.338 20 0 DCADMM Cc1nnn(NC(=O)c2cccc(F)c2-c2nnn[n-]2)c1C ZINC001592450906 1167530142 /nfs/dbraw/zinc/53/01/42/1167530142.db2.gz FUKUFHNAUOAMML-UHFFFAOYSA-N -1 1 302.273 0.598 20 0 DCADMM Cc1nnn(NC(=O)c2cccc(F)c2-c2nn[n-]n2)c1C ZINC001592450906 1167530143 /nfs/dbraw/zinc/53/01/43/1167530143.db2.gz FUKUFHNAUOAMML-UHFFFAOYSA-N -1 1 302.273 0.598 20 0 DCADMM Cc1nsc(N(C)CCNC(=O)C(C)C)c1-c1nn[n-]n1 ZINC001592470647 1167532056 /nfs/dbraw/zinc/53/20/56/1167532056.db2.gz IKYCLMFRULFJRI-UHFFFAOYSA-N -1 1 309.399 0.840 20 0 DCADMM Cc1nsc(NC(=O)N(CCO)CC2CC2)c1-c1nnn[n-]1 ZINC001592479623 1167533825 /nfs/dbraw/zinc/53/38/25/1167533825.db2.gz NQXLMUVGLYFNRZ-UHFFFAOYSA-N -1 1 323.382 0.868 20 0 DCADMM Cc1nsc(NC(=O)N(CCO)CC2CC2)c1-c1nn[n-]n1 ZINC001592479623 1167533833 /nfs/dbraw/zinc/53/38/33/1167533833.db2.gz NQXLMUVGLYFNRZ-UHFFFAOYSA-N -1 1 323.382 0.868 20 0 DCADMM Cc1nsc(NC(=O)N2C[C@H](O)C(C)(C)C2)c1-c1nnn[n-]1 ZINC001592479637 1167533976 /nfs/dbraw/zinc/53/39/76/1167533976.db2.gz ODLCSGOWJZJMHR-ZETCQYMHSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2C[C@H](O)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001592479637 1167533983 /nfs/dbraw/zinc/53/39/83/1167533983.db2.gz ODLCSGOWJZJMHR-ZETCQYMHSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N(C)CC[C@H](C)O)c1-c1nnn[n-]1 ZINC001592479982 1167535429 /nfs/dbraw/zinc/53/54/29/1167535429.db2.gz SLHKZUMBFKOMDF-LURJTMIESA-N -1 1 311.371 0.866 20 0 DCADMM Cc1nsc(NC(=O)N(C)CC[C@H](C)O)c1-c1nn[n-]n1 ZINC001592479982 1167535432 /nfs/dbraw/zinc/53/54/32/1167535432.db2.gz SLHKZUMBFKOMDF-LURJTMIESA-N -1 1 311.371 0.866 20 0 DCADMM Cc1nsc(NCCS(=O)(=O)C2CC2)c1-c1nn[n-]n1 ZINC001592491540 1167538114 /nfs/dbraw/zinc/53/81/14/1167538114.db2.gz NSFGMZTZBWMFAN-UHFFFAOYSA-N -1 1 314.396 0.621 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@]2(CCOC2)C1 ZINC001592500346 1167540719 /nfs/dbraw/zinc/54/07/19/1167540719.db2.gz VYBQHTYNOLZKKL-CQSZACIVSA-N -1 1 319.321 0.400 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@]2(CCOC2)C1 ZINC001592500346 1167540727 /nfs/dbraw/zinc/54/07/27/1167540727.db2.gz VYBQHTYNOLZKKL-CQSZACIVSA-N -1 1 319.321 0.400 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCSC[C@H]1CO ZINC001592500290 1167540806 /nfs/dbraw/zinc/54/08/06/1167540806.db2.gz VGIYBRMTPNJRMP-MRVPVSSYSA-N -1 1 309.351 0.318 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCSC[C@H]1CO ZINC001592500290 1167540813 /nfs/dbraw/zinc/54/08/13/1167540813.db2.gz VGIYBRMTPNJRMP-MRVPVSSYSA-N -1 1 309.351 0.318 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCOC[C@@]12CCOC2 ZINC001592500352 1167540874 /nfs/dbraw/zinc/54/08/74/1167540874.db2.gz WHHCVTUGMOEZCK-AWEZNQCLSA-N -1 1 319.321 0.400 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCOC[C@@]12CCOC2 ZINC001592500352 1167540879 /nfs/dbraw/zinc/54/08/79/1167540879.db2.gz WHHCVTUGMOEZCK-AWEZNQCLSA-N -1 1 319.321 0.400 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCc1cnnn1C ZINC001592503707 1167543518 /nfs/dbraw/zinc/54/35/18/1167543518.db2.gz LBYCJRRJSWJLIG-UHFFFAOYSA-N -1 1 303.282 0.296 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCc1cnnn1C ZINC001592503707 1167543524 /nfs/dbraw/zinc/54/35/24/1167543524.db2.gz LBYCJRRJSWJLIG-UHFFFAOYSA-N -1 1 303.282 0.296 20 0 DCADMM Cc1onc(Cc2nnc(-c3cnn(C)c3)o2)c1-c1nnn[n-]1 ZINC001592516633 1167546910 /nfs/dbraw/zinc/54/69/10/1167546910.db2.gz CVZJBADXLCJBTA-UHFFFAOYSA-N -1 1 313.281 0.537 20 0 DCADMM Cc1onc(Cc2nnc(-c3cnn(C)c3)o2)c1-c1nn[n-]n1 ZINC001592516633 1167546922 /nfs/dbraw/zinc/54/69/22/1167546922.db2.gz CVZJBADXLCJBTA-UHFFFAOYSA-N -1 1 313.281 0.537 20 0 DCADMM Clc1cnn([C@@H]2CCN(c3ncncc3-c3nn[n-]n3)C2)c1 ZINC001592538282 1167549113 /nfs/dbraw/zinc/54/91/13/1167549113.db2.gz JUIUSRXHYDNZRP-SECBINFHSA-N -1 1 317.744 0.958 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592556684 1167557146 /nfs/dbraw/zinc/55/71/46/1167557146.db2.gz CAYOHXSGYIRWNC-SNVBAGLBSA-N -1 1 324.348 0.267 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001592557078 1167557735 /nfs/dbraw/zinc/55/77/35/1167557735.db2.gz OKYOHEUMOHUTSL-JTQLQIEISA-N -1 1 324.348 0.845 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001592557078 1167557738 /nfs/dbraw/zinc/55/77/38/1167557738.db2.gz OKYOHEUMOHUTSL-JTQLQIEISA-N -1 1 324.348 0.845 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2C[C@H](O)CC(C)(C)C2)n1 ZINC001592559019 1167557797 /nfs/dbraw/zinc/55/77/97/1167557797.db2.gz STUUJHIPUCXWEC-MRVPVSSYSA-N -1 1 320.357 0.225 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2C[C@H](O)CC(C)(C)C2)n1 ZINC001592559019 1167557801 /nfs/dbraw/zinc/55/78/01/1167557801.db2.gz STUUJHIPUCXWEC-MRVPVSSYSA-N -1 1 320.357 0.225 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@H](CCF)C2)n1 ZINC001592559508 1167561178 /nfs/dbraw/zinc/56/11/78/1167561178.db2.gz TXEIEMPHYHGMOZ-MRVPVSSYSA-N -1 1 324.320 0.193 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@H](CCF)C2)n1 ZINC001592559508 1167561184 /nfs/dbraw/zinc/56/11/84/1167561184.db2.gz TXEIEMPHYHGMOZ-MRVPVSSYSA-N -1 1 324.320 0.193 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2COC[C@H]2C2CC2)n1 ZINC001592560107 1167561482 /nfs/dbraw/zinc/56/14/82/1167561482.db2.gz YJVHWCHDDNACSN-UWVGGRQHSA-N -1 1 318.341 0.147 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2COC[C@H]2C2CC2)n1 ZINC001592560107 1167561487 /nfs/dbraw/zinc/56/14/87/1167561487.db2.gz YJVHWCHDDNACSN-UWVGGRQHSA-N -1 1 318.341 0.147 20 0 DCADMM Cn1cc([C@H]2CCCN(c3ccnc(-c4nnn[n-]4)c3)C2)nn1 ZINC001592569548 1167566849 /nfs/dbraw/zinc/56/68/49/1167566849.db2.gz GQBPJVFRXHPUMA-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cc([C@H]2CCCN(c3ccnc(-c4nn[n-]n4)c3)C2)nn1 ZINC001592569548 1167566856 /nfs/dbraw/zinc/56/68/56/1167566856.db2.gz GQBPJVFRXHPUMA-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM Cn1nc2c(c1N)CN(c1nc(-c3nn[n-]n3)c(Cl)s1)C2 ZINC001592596921 1167575355 /nfs/dbraw/zinc/57/53/55/1167575355.db2.gz LBKAAJUMEQZGHS-UHFFFAOYSA-N -1 1 323.773 0.813 20 0 DCADMM Cn1nncc1CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592611917 1167583216 /nfs/dbraw/zinc/58/32/16/1167583216.db2.gz XBHYDMSDVYUFJM-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM Cn1nncc1CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592611917 1167583223 /nfs/dbraw/zinc/58/32/23/1167583223.db2.gz XBHYDMSDVYUFJM-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM FC(F)C(F)(F)COCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592625201 1167586835 /nfs/dbraw/zinc/58/68/35/1167586835.db2.gz SJVMBQWQDBLSPT-UHFFFAOYSA-N -1 1 321.238 0.408 20 0 DCADMM FC(F)(F)CN1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592614166 1167586982 /nfs/dbraw/zinc/58/69/82/1167586982.db2.gz GFQWEZHWJWHURL-SECBINFHSA-N -1 1 313.287 0.732 20 0 DCADMM FC(F)(F)CN1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592614166 1167586986 /nfs/dbraw/zinc/58/69/86/1167586986.db2.gz GFQWEZHWJWHURL-SECBINFHSA-N -1 1 313.287 0.732 20 0 DCADMM FC(F)(F)c1nnn(Cc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592625723 1167587911 /nfs/dbraw/zinc/58/79/11/1167587911.db2.gz ZWELWALLDLMBEY-UHFFFAOYSA-N -1 1 303.233 0.377 20 0 DCADMM FC(F)(F)c1nnn(Cc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592625723 1167587915 /nfs/dbraw/zinc/58/79/15/1167587915.db2.gz ZWELWALLDLMBEY-UHFFFAOYSA-N -1 1 303.233 0.377 20 0 DCADMM NC(=O)[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592715189 1167609886 /nfs/dbraw/zinc/60/98/86/1167609886.db2.gz ITLJODRVNKFFKQ-LLVKDONJSA-N -1 1 312.289 0.416 20 0 DCADMM NC(=O)[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592715189 1167609888 /nfs/dbraw/zinc/60/98/88/1167609888.db2.gz ITLJODRVNKFFKQ-LLVKDONJSA-N -1 1 312.289 0.416 20 0 DCADMM NC(=O)[C@@H]1CC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592719520 1167610953 /nfs/dbraw/zinc/61/09/53/1167610953.db2.gz DCXHAHRJMFXUAI-HTQZYQBOSA-N -1 1 302.294 0.022 20 0 DCADMM NC(=O)[C@H]1CCCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001592719634 1167611644 /nfs/dbraw/zinc/61/16/44/1167611644.db2.gz GEMWGPCLKVXBDA-ZETCQYMHSA-N -1 1 306.351 0.266 20 0 DCADMM NC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001592715768 1167612286 /nfs/dbraw/zinc/61/22/86/1167612286.db2.gz MDHLPGJXEBPDOK-NSHDSACASA-N -1 1 312.289 0.416 20 0 DCADMM NC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001592715768 1167612291 /nfs/dbraw/zinc/61/22/91/1167612291.db2.gz MDHLPGJXEBPDOK-NSHDSACASA-N -1 1 312.289 0.416 20 0 DCADMM NC(=O)Cc1ccc(CNc2ncncc2-c2nn[n-]n2)cc1 ZINC001592730217 1167618651 /nfs/dbraw/zinc/61/86/51/1167618651.db2.gz OUJGTFDWYAQQBM-UHFFFAOYSA-N -1 1 310.321 0.297 20 0 DCADMM NC(=O)c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)cs1 ZINC001592735040 1167620595 /nfs/dbraw/zinc/62/05/95/1167620595.db2.gz APOOQNOKQGSEIF-UHFFFAOYSA-N -1 1 304.291 0.872 20 0 DCADMM NC(=O)c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)cs1 ZINC001592735040 1167620599 /nfs/dbraw/zinc/62/05/99/1167620599.db2.gz APOOQNOKQGSEIF-UHFFFAOYSA-N -1 1 304.291 0.872 20 0 DCADMM NC(=O)c1ncc(NC(=O)c2coc(-c3nnn[n-]3)c2)s1 ZINC001592738286 1167623237 /nfs/dbraw/zinc/62/32/37/1167623237.db2.gz KJCNTWNUQFBZHC-UHFFFAOYSA-N -1 1 305.279 0.267 20 0 DCADMM NC(=O)c1ncc(NC(=O)c2coc(-c3nn[n-]n3)c2)s1 ZINC001592738286 1167623242 /nfs/dbraw/zinc/62/32/42/1167623242.db2.gz KJCNTWNUQFBZHC-UHFFFAOYSA-N -1 1 305.279 0.267 20 0 DCADMM NC(=O)c1cccc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001592736689 1167623968 /nfs/dbraw/zinc/62/39/68/1167623968.db2.gz LJTZWUNRIRUSOH-UHFFFAOYSA-N -1 1 323.316 0.291 20 0 DCADMM NC(=O)c1cccc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001592736689 1167623971 /nfs/dbraw/zinc/62/39/71/1167623971.db2.gz LJTZWUNRIRUSOH-UHFFFAOYSA-N -1 1 323.316 0.291 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2c(c1)CCOC2 ZINC001592752937 1167632398 /nfs/dbraw/zinc/63/23/98/1167632398.db2.gz ICACALOCDDWDMR-UHFFFAOYSA-N -1 1 311.305 0.407 20 0 DCADMM Nc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc(Cl)n1 ZINC001592759297 1167636068 /nfs/dbraw/zinc/63/60/68/1167636068.db2.gz UCUFMYPKUVWVCF-UHFFFAOYSA-N -1 1 305.689 0.473 20 0 DCADMM Nc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc(Cl)n1 ZINC001592759297 1167636073 /nfs/dbraw/zinc/63/60/73/1167636073.db2.gz UCUFMYPKUVWVCF-UHFFFAOYSA-N -1 1 305.689 0.473 20 0 DCADMM Nc1nccnc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592764565 1167639015 /nfs/dbraw/zinc/63/90/15/1167639015.db2.gz QUBQRPAGLYHIQS-UHFFFAOYSA-N -1 1 312.297 0.092 20 0 DCADMM O=C(/C=C/[C@@H]1CCOC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592795258 1167642093 /nfs/dbraw/zinc/64/20/93/1167642093.db2.gz PQJGZZCLVZGWNT-TXXBHVLJSA-N -1 1 301.306 0.898 20 0 DCADMM O=C(/C=C/[C@@H]1CCOC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592795258 1167642101 /nfs/dbraw/zinc/64/21/01/1167642101.db2.gz PQJGZZCLVZGWNT-TXXBHVLJSA-N -1 1 301.306 0.898 20 0 DCADMM O=C(CCCF)NCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001592836496 1167646850 /nfs/dbraw/zinc/64/68/50/1167646850.db2.gz LQSFQXXZRVWHOU-UHFFFAOYSA-N -1 1 308.321 0.325 20 0 DCADMM O=C(CCCF)NCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001592836496 1167646857 /nfs/dbraw/zinc/64/68/57/1167646857.db2.gz LQSFQXXZRVWHOU-UHFFFAOYSA-N -1 1 308.321 0.325 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@H]1CCCC[C@@H]1O ZINC001592914393 1167664141 /nfs/dbraw/zinc/66/41/41/1167664141.db2.gz ZQAYQXNDBGKXDC-YPMHNXCESA-N -1 1 316.365 0.472 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@H]1CCCC[C@@H]1O ZINC001592914393 1167664146 /nfs/dbraw/zinc/66/41/46/1167664146.db2.gz ZQAYQXNDBGKXDC-YPMHNXCESA-N -1 1 316.365 0.472 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@@H]1C[C@]12CCOC2 ZINC001592915510 1167664537 /nfs/dbraw/zinc/66/45/37/1167664537.db2.gz XVAXWBLDKRNFOQ-NHYWBVRUSA-N -1 1 315.333 0.774 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@@H]1C[C@]12CCOC2 ZINC001592915510 1167664541 /nfs/dbraw/zinc/66/45/41/1167664541.db2.gz XVAXWBLDKRNFOQ-NHYWBVRUSA-N -1 1 315.333 0.774 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](OC(F)F)C1 ZINC001592915615 1167665482 /nfs/dbraw/zinc/66/54/82/1167665482.db2.gz RNHXKHBECBWRNJ-VIFPVBQESA-N -1 1 324.291 0.644 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](OC(F)F)C1 ZINC001592915615 1167665487 /nfs/dbraw/zinc/66/54/87/1167665487.db2.gz RNHXKHBECBWRNJ-VIFPVBQESA-N -1 1 324.291 0.644 20 0 DCADMM O=C(Cc1ccc(Cl)cc1)Cn1cc(-c2nn[n-]n2)nn1 ZINC001592917665 1167665499 /nfs/dbraw/zinc/66/54/99/1167665499.db2.gz VZNMBZAMLFQNEF-UHFFFAOYSA-N -1 1 303.713 0.923 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2cc[nH]c2c1 ZINC001592941852 1167668858 /nfs/dbraw/zinc/66/88/58/1167668858.db2.gz OADDQDCYLYOLFY-UHFFFAOYSA-N -1 1 309.293 0.578 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)cc(F)c1F ZINC001592941662 1167669020 /nfs/dbraw/zinc/66/90/20/1167669020.db2.gz IAKPFDOPSJTVLM-UHFFFAOYSA-N -1 1 324.226 0.514 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC[C@H]1C1CCC1 ZINC001592940298 1167670340 /nfs/dbraw/zinc/67/03/40/1167670340.db2.gz XWJATRGHCBJSPR-NSHDSACASA-N -1 1 316.369 0.639 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCC1=CCCCCC1 ZINC001592940871 1167670508 /nfs/dbraw/zinc/67/05/08/1167670508.db2.gz GDLUXIUXZGCSBX-UHFFFAOYSA-N -1 1 316.369 0.855 20 0 DCADMM O=C(N[C@H](CO)[C@@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001592953778 1167671580 /nfs/dbraw/zinc/67/15/80/1167671580.db2.gz NVBZKSVNIQXQCN-VXNVDRBHSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@H](CO)[C@@H]1CCOC1)c1ccsc1-c1nn[n-]n1 ZINC001592953778 1167671600 /nfs/dbraw/zinc/67/16/00/1167671600.db2.gz NVBZKSVNIQXQCN-VXNVDRBHSA-N -1 1 309.351 0.055 20 0 DCADMM O=C(N[C@@H](CO)c1ncc[nH]1)c1ccsc1-c1nnn[n-]1 ZINC001592954364 1167673882 /nfs/dbraw/zinc/67/38/82/1167673882.db2.gz JWRSVFBENYOXBX-ZETCQYMHSA-N -1 1 305.323 0.115 20 0 DCADMM O=C(N[C@@H](CO)c1ncc[nH]1)c1ccsc1-c1nn[n-]n1 ZINC001592954364 1167673886 /nfs/dbraw/zinc/67/38/86/1167673886.db2.gz JWRSVFBENYOXBX-ZETCQYMHSA-N -1 1 305.323 0.115 20 0 DCADMM O=C(NC[C@@H](CO)Cc1ccoc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593006763 1167686413 /nfs/dbraw/zinc/68/64/13/1167686413.db2.gz RTGGNXGDMOJXFJ-JTQLQIEISA-N -1 1 317.305 0.634 20 0 DCADMM O=C(NC[C@@H](CO)Cc1ccoc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593006763 1167686420 /nfs/dbraw/zinc/68/64/20/1167686420.db2.gz RTGGNXGDMOJXFJ-JTQLQIEISA-N -1 1 317.305 0.634 20 0 DCADMM O=C(NCCNc1cc(-c2nnn[n-]2)ncn1)c1ccco1 ZINC001593087105 1167702797 /nfs/dbraw/zinc/70/27/97/1167702797.db2.gz PCEAEQXOWBQZHM-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCNc1cc(-c2nn[n-]n2)ncn1)c1ccco1 ZINC001593087105 1167702804 /nfs/dbraw/zinc/70/28/04/1167702804.db2.gz PCEAEQXOWBQZHM-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001593115721 1167715945 /nfs/dbraw/zinc/71/59/45/1167715945.db2.gz WTXAHRULQGXXSW-WAAGHKOSSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001593115721 1167715955 /nfs/dbraw/zinc/71/59/55/1167715955.db2.gz WTXAHRULQGXXSW-WAAGHKOSSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCc2n[nH]cc21 ZINC001593146056 1167722752 /nfs/dbraw/zinc/72/27/52/1167722752.db2.gz HIUIGSQARLFREO-JTQLQIEISA-N -1 1 324.348 0.721 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnn2ncccc12 ZINC001593203357 1167737370 /nfs/dbraw/zinc/73/73/70/1167737370.db2.gz MMJLRODSXQQPOX-UHFFFAOYSA-N -1 1 322.288 0.867 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnc2nccn2c1 ZINC001593202957 1167737529 /nfs/dbraw/zinc/73/75/29/1167737529.db2.gz GIBFREOYNWXRJO-UHFFFAOYSA-N -1 1 322.288 0.867 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)nn1 ZINC001593245579 1167743703 /nfs/dbraw/zinc/74/37/03/1167743703.db2.gz WKDKJESAHRRMDY-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)nn1 ZINC001593245579 1167743710 /nfs/dbraw/zinc/74/37/10/1167743710.db2.gz WKDKJESAHRRMDY-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1cnc2nccn2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593258863 1167745577 /nfs/dbraw/zinc/74/55/77/1167745577.db2.gz UMUDHKZAMVMNGC-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1cnc2nccn2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593258863 1167745579 /nfs/dbraw/zinc/74/55/79/1167745579.db2.gz UMUDHKZAMVMNGC-UHFFFAOYSA-N -1 1 307.277 0.557 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1CCCC[C@H]1O ZINC001593256647 1167746735 /nfs/dbraw/zinc/74/67/35/1167746735.db2.gz VHFLTLXTGJNOTF-GXSJLCMTSA-N -1 1 303.326 0.687 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1CCCC[C@H]1O ZINC001593256647 1167746738 /nfs/dbraw/zinc/74/67/38/1167746738.db2.gz VHFLTLXTGJNOTF-GXSJLCMTSA-N -1 1 303.326 0.687 20 0 DCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC001593263762 1167749597 /nfs/dbraw/zinc/74/95/97/1167749597.db2.gz XIVMIOFYUZXOMW-SCSAIBSYSA-N -1 1 300.731 0.952 20 0 DCADMM O=C(O[C@H]1CCN(C2CC2)C1=O)c1csc(-c2nnn[n-]2)c1 ZINC001593279744 1167753577 /nfs/dbraw/zinc/75/35/77/1167753577.db2.gz DDYVBBOZJIFLMD-VIFPVBQESA-N -1 1 319.346 0.848 20 0 DCADMM O=C(O[C@H]1CCN(C2CC2)C1=O)c1csc(-c2nn[n-]n2)c1 ZINC001593279744 1167753588 /nfs/dbraw/zinc/75/35/88/1167753588.db2.gz DDYVBBOZJIFLMD-VIFPVBQESA-N -1 1 319.346 0.848 20 0 DCADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ccc2nncn2c1 ZINC001593301813 1167765775 /nfs/dbraw/zinc/76/57/75/1167765775.db2.gz PTQDSNRCUVXHDR-UHFFFAOYSA-N -1 1 322.288 0.661 20 0 DCADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ccc2nncn2c1 ZINC001593301813 1167765779 /nfs/dbraw/zinc/76/57/79/1167765779.db2.gz PTQDSNRCUVXHDR-UHFFFAOYSA-N -1 1 322.288 0.661 20 0 DCADMM O=C(OCc1ncnn1CCF)c1ccc(-c2nnn[n-]2)nc1 ZINC001593306479 1167767335 /nfs/dbraw/zinc/76/73/35/1167767335.db2.gz PYEXIAMGQGCCMW-UHFFFAOYSA-N -1 1 318.272 0.180 20 0 DCADMM O=C(OCc1ncnn1CCF)c1ccc(-c2nn[n-]n2)nc1 ZINC001593306479 1167767342 /nfs/dbraw/zinc/76/73/42/1167767342.db2.gz PYEXIAMGQGCCMW-UHFFFAOYSA-N -1 1 318.272 0.180 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001593339715 1167782675 /nfs/dbraw/zinc/78/26/75/1167782675.db2.gz TZEQKFKIRROCFA-LKFCYVNXSA-N -1 1 303.322 0.694 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001593339715 1167782683 /nfs/dbraw/zinc/78/26/83/1167782683.db2.gz TZEQKFKIRROCFA-LKFCYVNXSA-N -1 1 303.322 0.694 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H](N2CCCC2=O)C1 ZINC001593367590 1167786385 /nfs/dbraw/zinc/78/63/85/1167786385.db2.gz MPLBUYJDIBIWAM-SNVBAGLBSA-N -1 1 316.321 0.297 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H](N2CCCC2=O)C1 ZINC001593367590 1167786392 /nfs/dbraw/zinc/78/63/92/1167786392.db2.gz MPLBUYJDIBIWAM-SNVBAGLBSA-N -1 1 316.321 0.297 20 0 DCADMM O=C1[C@H](NCc2nc(-c3nnn[n-]3)cs2)CCN1C1CCC1 ZINC001593379135 1167793257 /nfs/dbraw/zinc/79/32/57/1167793257.db2.gz OSLBBFOFJOFHMS-SECBINFHSA-N -1 1 319.394 0.566 20 0 DCADMM O=C1[C@H](NCc2nc(-c3nn[n-]n3)cs2)CCN1C1CCC1 ZINC001593379135 1167793272 /nfs/dbraw/zinc/79/32/72/1167793272.db2.gz OSLBBFOFJOFHMS-SECBINFHSA-N -1 1 319.394 0.566 20 0 DCADMM O=C1C[C@H]([C@H]2CCCCN2c2cc(-c3nnn[n-]3)ncn2)CN1 ZINC001593383520 1167796115 /nfs/dbraw/zinc/79/61/15/1167796115.db2.gz XOXQUVQYMYHYMM-GXSJLCMTSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1C[C@H]([C@H]2CCCCN2c2cc(-c3nn[n-]n3)ncn2)CN1 ZINC001593383520 1167796121 /nfs/dbraw/zinc/79/61/21/1167796121.db2.gz XOXQUVQYMYHYMM-GXSJLCMTSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CN1CC1CC1 ZINC001593386634 1167797296 /nfs/dbraw/zinc/79/72/96/1167797296.db2.gz RYBPGRBSQJCPGY-SECBINFHSA-N -1 1 300.326 0.080 20 0 DCADMM O=C1C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CN1CC1CC1 ZINC001593386634 1167797305 /nfs/dbraw/zinc/79/73/05/1167797305.db2.gz RYBPGRBSQJCPGY-SECBINFHSA-N -1 1 300.326 0.080 20 0 DCADMM O=C1CCCN1C[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001593392200 1167804328 /nfs/dbraw/zinc/80/43/28/1167804328.db2.gz PBLAULDAOLPWGR-JTQLQIEISA-N -1 1 314.353 0.105 20 0 DCADMM O=C1CCCN1C[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001593392200 1167804339 /nfs/dbraw/zinc/80/43/39/1167804339.db2.gz PBLAULDAOLPWGR-JTQLQIEISA-N -1 1 314.353 0.105 20 0 DCADMM O=C1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CN1C1CC1 ZINC001593399698 1167812908 /nfs/dbraw/zinc/81/29/08/1167812908.db2.gz OVYZYGYUCYCEAP-UHFFFAOYSA-N -1 1 311.758 0.745 20 0 DCADMM O=S(=O)(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593433577 1167837694 /nfs/dbraw/zinc/83/76/94/1167837694.db2.gz ANAFWHIAZIROAW-LPEHRKFASA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593433577 1167837703 /nfs/dbraw/zinc/83/77/03/1167837703.db2.gz ANAFWHIAZIROAW-LPEHRKFASA-N -1 1 320.378 0.729 20 0 DCADMM O=S1(=O)CCC[C@@H](Sc2cncc(-c3nnn[n-]3)n2)C1 ZINC001593462674 1167849511 /nfs/dbraw/zinc/84/95/11/1167849511.db2.gz CWKHTVFRXBTEQL-SSDOTTSWSA-N -1 1 312.380 0.326 20 0 DCADMM O=S1(=O)CCC[C@@H](Sc2cncc(-c3nn[n-]n3)n2)C1 ZINC001593462674 1167849522 /nfs/dbraw/zinc/84/95/22/1167849522.db2.gz CWKHTVFRXBTEQL-SSDOTTSWSA-N -1 1 312.380 0.326 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1cc(F)ccc1F ZINC001593489130 1167871350 /nfs/dbraw/zinc/87/13/50/1167871350.db2.gz AGPWBVRGZUXTQV-UHFFFAOYSA-N -1 1 306.232 0.456 20 0 DCADMM O=c1c(-c2nnn[n-]2)cccn1CN1CCC2(C1)CCOCC2 ZINC001593493009 1167876963 /nfs/dbraw/zinc/87/69/63/1167876963.db2.gz TWPQDYCBYYWTEK-UHFFFAOYSA-N -1 1 316.365 0.488 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC[C@@H]1CCOC1)CCC2 ZINC001593492170 1167877827 /nfs/dbraw/zinc/87/78/27/1167877827.db2.gz JPYXKWQWCJLLJU-SNVBAGLBSA-N -1 1 301.350 0.944 20 0 DCADMM O=c1c2ccccc2nnn1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593495219 1167879369 /nfs/dbraw/zinc/87/93/69/1167879369.db2.gz YIMGOQULZMTSKI-UHFFFAOYSA-N -1 1 312.318 0.476 20 0 DCADMM O=c1c2ccccc2nnn1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593495219 1167879373 /nfs/dbraw/zinc/87/93/73/1167879373.db2.gz YIMGOQULZMTSKI-UHFFFAOYSA-N -1 1 312.318 0.476 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1cccc2nsnc21 ZINC001593495324 1167880622 /nfs/dbraw/zinc/88/06/22/1167880622.db2.gz ZLWQARIUQDJRET-UHFFFAOYSA-N -1 1 312.318 0.476 20 0 DCADMM O[C@@H](Cc1cccc(Cl)c1)Cn1cnc(-c2nn[n-]n2)n1 ZINC001593510796 1167888766 /nfs/dbraw/zinc/88/87/66/1167888766.db2.gz CEBVPQQTIHHJFW-JTQLQIEISA-N -1 1 305.729 0.715 20 0 DCADMM O[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@H]1F ZINC001593518521 1167891701 /nfs/dbraw/zinc/89/17/01/1167891701.db2.gz ASXOANIXCDTCAB-MWLCHTKSSA-N -1 1 315.312 0.719 20 0 DCADMM O[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@H]1F ZINC001593518521 1167891705 /nfs/dbraw/zinc/89/17/05/1167891705.db2.gz ASXOANIXCDTCAB-MWLCHTKSSA-N -1 1 315.312 0.719 20 0 DCADMM O[C@H]1C[C@H](c2ccccc2)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001593518077 1167892325 /nfs/dbraw/zinc/89/23/25/1167892325.db2.gz QSNNQLRBKMPPOR-NWDGAFQWSA-N -1 1 309.333 0.969 20 0 DCADMM OC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCOC1 ZINC001593520490 1167895054 /nfs/dbraw/zinc/89/50/54/1167895054.db2.gz LBHDXPNPYHKDGT-APPZFPTMSA-N -1 1 310.745 0.724 20 0 DCADMM OC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC001593520490 1167895059 /nfs/dbraw/zinc/89/50/59/1167895059.db2.gz LBHDXPNPYHKDGT-APPZFPTMSA-N -1 1 310.745 0.724 20 0 DCADMM OC[C@H](CNc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC001593525531 1167900997 /nfs/dbraw/zinc/90/09/97/1167900997.db2.gz WVLJSQUGAPTWSV-ZDUSSCGKSA-N -1 1 310.361 0.947 20 0 DCADMM OC[C@H](CNc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC001593525531 1167901004 /nfs/dbraw/zinc/90/10/04/1167901004.db2.gz WVLJSQUGAPTWSV-ZDUSSCGKSA-N -1 1 310.361 0.947 20 0 DCADMM OCC[C@H](NCc1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001593528715 1167904377 /nfs/dbraw/zinc/90/43/77/1167904377.db2.gz KMTROIIMKGDKGY-VIFPVBQESA-N -1 1 302.260 0.665 20 0 DCADMM OCC[C@H](NCc1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001593528715 1167904392 /nfs/dbraw/zinc/90/43/92/1167904392.db2.gz KMTROIIMKGDKGY-VIFPVBQESA-N -1 1 302.260 0.665 20 0 DCADMM O[C@H](CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)C(F)(F)F ZINC001593536439 1167915246 /nfs/dbraw/zinc/91/52/46/1167915246.db2.gz JOENDMHSXOOMIK-SSDOTTSWSA-N -1 1 315.259 0.869 20 0 DCADMM O[C@H](CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)C(F)(F)F ZINC001593536439 1167915256 /nfs/dbraw/zinc/91/52/56/1167915256.db2.gz JOENDMHSXOOMIK-SSDOTTSWSA-N -1 1 315.259 0.869 20 0 DCADMM c1ccc(N2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)nc1 ZINC001593577148 1167945846 /nfs/dbraw/zinc/94/58/46/1167945846.db2.gz XJCKOOKFAPYICT-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM c1ccc(N2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)nc1 ZINC001593577148 1167945857 /nfs/dbraw/zinc/94/58/57/1167945857.db2.gz XJCKOOKFAPYICT-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM c1nn(-c2ccccn2)cc1Nc1cncc(-c2nnn[n-]2)n1 ZINC001593570053 1167947944 /nfs/dbraw/zinc/94/79/44/1167947944.db2.gz RDBVVUBHPMUJSL-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1nn(-c2ccccn2)cc1Nc1cncc(-c2nn[n-]n2)n1 ZINC001593570053 1167947951 /nfs/dbraw/zinc/94/79/51/1167947951.db2.gz RDBVVUBHPMUJSL-UHFFFAOYSA-N -1 1 306.293 0.981 20 0 DCADMM c1nc(-c2nn[n-]n2)ncc1OCC1CCC2(CC1)OCCO2 ZINC001593590285 1167955148 /nfs/dbraw/zinc/95/51/48/1167955148.db2.gz NFIDPYNVWJCHPQ-UHFFFAOYSA-N -1 1 318.337 0.969 20 0 DCADMM COC[C@H](NC(=O)c1ocnc1-c1ccccc1)c1nn[n-]n1 ZINC001595889374 1167981216 /nfs/dbraw/zinc/98/12/16/1167981216.db2.gz MUUXNVFWZQIEGY-JTQLQIEISA-N -1 1 314.305 0.972 20 0 DCADMM Cc1cnc(C(=O)N[C@H](C)c2nnc3c(=O)[nH]ccn32)c([O-])c1 ZINC001595934624 1167983501 /nfs/dbraw/zinc/98/35/01/1167983501.db2.gz LOBGZHQTQGWLGR-MRVPVSSYSA-N -1 1 314.305 0.318 20 0 DCADMM Cc1cc(CNC(=O)[C@H](C)CN2CCOCC2)oc1C(=O)[O-] ZINC001600197357 1168135407 /nfs/dbraw/zinc/13/54/07/1168135407.db2.gz JTCQDGFNRDRUHZ-LLVKDONJSA-N -1 1 310.350 0.871 20 0 DCADMM Cc1cc(CNC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n[nH]1 ZINC001600200419 1168137339 /nfs/dbraw/zinc/13/73/39/1168137339.db2.gz XWRGAVWUDKHEFM-SNVBAGLBSA-N -1 1 319.325 0.164 20 0 DCADMM Cc1cc(NC(=O)C(=O)N2CCN[C@@H](C(C)C)C2)c(C(=O)[O-])[nH]1 ZINC001600245718 1168146933 /nfs/dbraw/zinc/14/69/33/1168146933.db2.gz UJGQDSUHWPMKHJ-LLVKDONJSA-N -1 1 322.365 0.416 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@@H]1C(=O)NCC[C@H]1C ZINC001600355073 1168172209 /nfs/dbraw/zinc/17/22/09/1168172209.db2.gz AIARARWSPXOTIQ-YGRLFVJLSA-N -1 1 319.361 0.746 20 0 DCADMM Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)C2)c(C(=O)[O-])c1C ZINC001600441359 1168185386 /nfs/dbraw/zinc/18/53/86/1168185386.db2.gz WTHCXLWMOFRCMK-LLVKDONJSA-N -1 1 319.361 0.760 20 0 DCADMM Cc1ccc2nc(CNCCC(=O)NCCC(=O)[O-])cn2c1 ZINC001600503644 1168193965 /nfs/dbraw/zinc/19/39/65/1168193965.db2.gz PJFMMMRNGHNUBA-UHFFFAOYSA-N -1 1 304.350 0.713 20 0 DCADMM Cc1cccc(C[C@@H](CNC(=O)CCc2nn[nH]n2)C(=O)[O-])c1 ZINC001600526570 1168194970 /nfs/dbraw/zinc/19/49/70/1168194970.db2.gz MCZSKMASJJXXAB-LBPRGKRZSA-N -1 1 317.349 0.500 20 0 DCADMM Cc1cccc(NC(=O)CNCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC001600539686 1168196971 /nfs/dbraw/zinc/19/69/71/1168196971.db2.gz WLPGROBVYTUUMP-OLZOCXBDSA-N -1 1 319.361 0.360 20 0 DCADMM Cc1ccccc1CNC(=O)[C@H](C)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600581482 1168203910 /nfs/dbraw/zinc/20/39/10/1168203910.db2.gz YJGCTURDOGZDFG-CFVMTHIKSA-N -1 1 320.389 0.767 20 0 DCADMM Cc1cccnc1NC(=O)CN1CCN(CCC(=O)[O-])C[C@H]1C ZINC001600592520 1168205386 /nfs/dbraw/zinc/20/53/86/1168205386.db2.gz HMGBDXXYPMASRF-CYBMUJFWSA-N -1 1 320.393 0.809 20 0 DCADMM Cc1cn(C(C)(C)C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cn1 ZINC001600611912 1168212290 /nfs/dbraw/zinc/21/22/90/1168212290.db2.gz WUPXHERUOSZARI-CYBMUJFWSA-N -1 1 322.409 0.934 20 0 DCADMM Cc1cnc(CNC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)cn1 ZINC001600621275 1168216014 /nfs/dbraw/zinc/21/60/14/1168216014.db2.gz QDWUCOPHQJRCCT-QWHCGFSZSA-N -1 1 318.377 0.634 20 0 DCADMM Cc1cnc(CCN2CCC[C@H]2C(=O)NCC(=O)[O-])c(C)c1 ZINC001600620064 1168216844 /nfs/dbraw/zinc/21/68/44/1168216844.db2.gz WOMUVVVPVSINHF-AWEZNQCLSA-N -1 1 305.378 0.906 20 0 DCADMM Cc1cnn(C)c1CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001600635970 1168222341 /nfs/dbraw/zinc/22/23/41/1168222341.db2.gz WJNWYBQBNMFLFB-OAHLLOKOSA-N -1 1 308.382 0.090 20 0 DCADMM Cc1csc(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1C(=O)[O-] ZINC001600663502 1168235183 /nfs/dbraw/zinc/23/51/83/1168235183.db2.gz WCQKDIFKYIAKFN-ZETCQYMHSA-N -1 1 320.392 0.973 20 0 DCADMM Cc1nc(NC(=O)[C@@H](C)N[C@H]2CCO[C@H]2C(=O)[O-])sc1C ZINC001600710482 1168260457 /nfs/dbraw/zinc/26/04/57/1168260457.db2.gz DCEKEAPQJZICAD-FKTZTGRPSA-N -1 1 313.379 0.919 20 0 DCADMM Cc1nc[nH]c1-c1nnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1C ZINC001600732691 1168265449 /nfs/dbraw/zinc/26/54/49/1168265449.db2.gz XTGOVJHYKKODRR-APPZFPTMSA-N -1 1 306.326 0.192 20 0 DCADMM Cc1ncc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c(C2CC2)n1 ZINC001600733631 1168266531 /nfs/dbraw/zinc/26/65/31/1168266531.db2.gz SUYPJPLWKOAFOG-GFCCVEGCSA-N -1 1 318.377 0.751 20 0 DCADMM Cc1ncc(CNC2(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)s1 ZINC001600737314 1168270064 /nfs/dbraw/zinc/27/00/64/1168270064.db2.gz QNIMVUKXABZPMH-WDEREUQCSA-N -1 1 309.391 0.911 20 0 DCADMM Cc1ncsc1CCN1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC001600759666 1168282260 /nfs/dbraw/zinc/28/22/60/1168282260.db2.gz SYFUBCYIDZTNTC-VXGBXAGGSA-N -1 1 323.418 0.763 20 0 DCADMM Cc1nn(C)cc1CNC/C=C\CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001600779273 1168293271 /nfs/dbraw/zinc/29/32/71/1168293271.db2.gz ZUTFMXPCCOTTHZ-FGTRRKKMSA-N -1 1 306.366 0.211 20 0 DCADMM Cn1cc(-c2[nH]ncc2C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cn1 ZINC001600925874 1168510277 /nfs/dbraw/zinc/51/02/77/1168510277.db2.gz ZXJXKBQAJIZFIQ-PRHODGIISA-N -1 1 319.321 0.030 20 0 DCADMM CN1CC(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)=NC1=O ZINC001600931264 1168513008 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O=C([O-])c1n[nH]c2ccc(NC(=O)CCc3nc[nH]n3)cc21 ZINC001601297687 1168694609 /nfs/dbraw/zinc/69/46/09/1168694609.db2.gz XRVUDYVAZMCBEB-UHFFFAOYSA-N -1 1 300.278 0.951 20 0 DCADMM O=C([O-])[C@@]1(O)CCN(CC(=O)NCCCc2ccccc2)C1 ZINC001601304239 1168697866 /nfs/dbraw/zinc/69/78/66/1168697866.db2.gz PMIAZRGQUZYFBY-MRXNPFEDSA-N -1 1 306.362 0.257 20 0 DCADMM O=C([O-])[C@]1(O)CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC001601304232 1168698402 /nfs/dbraw/zinc/69/84/02/1168698402.db2.gz PHDFQMAEKGXCIB-RDJZCZTQSA-N -1 1 318.373 0.775 20 0 DCADMM O=C([O-])c1ccc(NC(=O)CN2CCn3c(=O)[nH]nc3C2)cc1 ZINC001601318372 1168706023 /nfs/dbraw/zinc/70/60/23/1168706023.db2.gz SMHQFRKNFNGJQC-UHFFFAOYSA-N -1 1 317.305 0.136 20 0 DCADMM O=C(CN[C@@H](C(=O)[O-])C1CC1)NC1CCC2(CC1)OCCO2 ZINC001601323314 1168709080 /nfs/dbraw/zinc/70/90/80/1168709080.db2.gz VQKZQISTDBXVEW-CYBMUJFWSA-N -1 1 312.366 0.241 20 0 DCADMM O=C(CN[C@H]1CCO[C@H]1C(=O)[O-])Nc1cccc2nsnc21 ZINC001601329209 1168710069 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O=C([O-])C1(O)CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC001601722783 1168830850 /nfs/dbraw/zinc/83/08/50/1168830850.db2.gz VZIPQJIUGOMDFE-UHFFFAOYSA-N -1 1 303.318 0.106 20 0 DCADMM O=C([O-])C1=CC[C@H](NC(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC001601733554 1168837254 /nfs/dbraw/zinc/83/72/54/1168837254.db2.gz DZRCOZMHAZZEMK-ZDUSSCGKSA-N -1 1 323.393 0.666 20 0 DCADMM O=C([O-])C1=NO[C@]2(CCN(C(=O)[C@H]3CCN3C3CCCC3)C2)C1 ZINC001601738592 1168842770 /nfs/dbraw/zinc/84/27/70/1168842770.db2.gz FMZCWMXNCCXZDI-CZUORRHYSA-N -1 1 321.377 0.835 20 0 DCADMM O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cc(F)cc(F)c1O ZINC001601757149 1168854257 /nfs/dbraw/zinc/85/42/57/1168854257.db2.gz FULFQSNVTKZLIC-VHSXEESVSA-N -1 1 301.245 0.721 20 0 DCADMM O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1ccn(-c2ccncc2)n1 ZINC001601758424 1168856891 /nfs/dbraw/zinc/85/68/91/1168856891.db2.gz QNWYCGUDAMLPSN-CHWSQXEVSA-N -1 1 316.317 0.317 20 0 DCADMM O=C([O-])C1CC(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)C1 ZINC001601759925 1168859363 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307.350 0.655 20 0 DCADMM O=C([O-])CC1CC(NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)C1 ZINC001601943323 1168943902 /nfs/dbraw/zinc/94/39/02/1168943902.db2.gz IKVHNUSYECKCMH-UDNWOFFPSA-N -1 1 323.353 0.709 20 0 DCADMM O=C([O-])CCNC(=O)CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001602022001 1168970215 /nfs/dbraw/zinc/97/02/15/1168970215.db2.gz OLEHPJGMIYBCJE-LSDHHAIUSA-N -1 1 320.389 0.675 20 0 DCADMM O=C([O-])CCOc1ccc(NC(=O)CCc2nn[nH]n2)cc1 ZINC001602025398 1168971770 /nfs/dbraw/zinc/97/17/70/1168971770.db2.gz PAZLVLQTIYXPHI-UHFFFAOYSA-N -1 1 305.294 0.625 20 0 DCADMM O=C([O-])CN1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC001602060442 1168978600 /nfs/dbraw/zinc/97/86/00/1168978600.db2.gz AKHOUELVAKUGIM-AWEZNQCLSA-N -1 1 303.362 0.642 20 0 DCADMM O=C([O-])[C@@H]1CN(C(=O)NCCCc2nc[nH]n2)C[C@H]1C1CC1 ZINC001602182804 1169020296 /nfs/dbraw/zinc/02/02/96/1169020296.db2.gz FOYCVAFOQYLDHL-WDEREUQCSA-N -1 1 307.354 0.490 20 0 DCADMM O=C([O-])[C@]12CN(Cc3nnc4n3CCCCC4)C[C@H]1COCC2 ZINC001602207624 1169031274 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Cc1cc(=O)n(C)cc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609393015 1170965256 /nfs/dbraw/zinc/96/52/56/1170965256.db2.gz SRZQLHMZTDGMNY-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM Cc1cc(N2CCO[C@]3(CCO[C@@H]3C)C2)cc(-c2nnn[n-]2)n1 ZINC001609405537 1170967354 /nfs/dbraw/zinc/96/73/54/1170967354.db2.gz ORWLNIDJRFEQOZ-IAQYHMDHSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(N2CCO[C@]3(CCO[C@@H]3C)C2)cc(-c2nn[n-]n2)n1 ZINC001609405537 1170967356 /nfs/dbraw/zinc/96/73/56/1170967356.db2.gz ORWLNIDJRFEQOZ-IAQYHMDHSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cccnc1S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC001609437383 1170976928 /nfs/dbraw/zinc/97/69/28/1170976928.db2.gz CMWWBKBJIFZSNR-UHFFFAOYSA-N -1 1 316.346 0.939 20 0 DCADMM Cc1cccnc1S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC001609437383 1170976932 /nfs/dbraw/zinc/97/69/32/1170976932.db2.gz CMWWBKBJIFZSNR-UHFFFAOYSA-N -1 1 316.346 0.939 20 0 DCADMM Cc1onc(CC(=O)NCc2cc(C)ccn2)c1-c1nnn[n-]1 ZINC001609438594 1170977303 /nfs/dbraw/zinc/97/73/03/1170977303.db2.gz 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ZINC001713046493 1180648151 /nfs/dbraw/zinc/64/81/51/1180648151.db2.gz GYCOVWBVOBZMGS-UHFFFAOYSA-N -1 1 322.394 0.751 20 0 DCADMM CC(C)Cn1ccc(C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)n1 ZINC001713596312 1180953427 /nfs/dbraw/zinc/95/34/27/1180953427.db2.gz NRTLUXCHKUNBPW-UHFFFAOYSA-N -1 1 321.385 0.225 20 0 DCADMM CC(C)Cn1cc(C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001713649043 1180993056 /nfs/dbraw/zinc/99/30/56/1180993056.db2.gz YLINQETUWIYMII-UHFFFAOYSA-N -1 1 321.385 0.225 20 0 DCADMM COCCC1(C(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)CCC1 ZINC001713658400 1181001278 /nfs/dbraw/zinc/00/12/78/1181001278.db2.gz AMUKBHFNHGQRSU-UHFFFAOYSA-N -1 1 311.386 0.265 20 0 DCADMM C[C@H](CNC(=O)c1ccc2cccnn21)NCc1n[nH]c(=O)[n-]1 ZINC001714281201 1181305304 /nfs/dbraw/zinc/30/53/04/1181305304.db2.gz NUPJGVLIFPXDCT-SECBINFHSA-N -1 1 315.337 0.066 20 0 DCADMM Cc1noc(C)c1CCC(=O)N(C)CCNCc1n[nH]c(=O)[n-]1 ZINC001714790577 1181546898 /nfs/dbraw/zinc/54/68/98/1181546898.db2.gz LYZVHLNSOVAEIK-UHFFFAOYSA-N -1 1 322.369 0.296 20 0 DCADMM CC(C)(C)C(=O)C(=O)N[C@](C)(CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001715109441 1181691167 /nfs/dbraw/zinc/69/11/67/1181691167.db2.gz WIQCXEONHNZZJP-OAHLLOKOSA-N -1 1 323.397 0.500 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)C1(COC)CCC1 ZINC001716229794 1182266023 /nfs/dbraw/zinc/26/60/23/1182266023.db2.gz GZTSCLOHBZAVBJ-UHFFFAOYSA-N -1 1 311.386 0.265 20 0 DCADMM COCCCCC(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001716773674 1182520421 /nfs/dbraw/zinc/52/04/21/1182520421.db2.gz MPRUXIWNKZBGJT-NSHDSACASA-N -1 1 311.386 0.408 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCOCCNC(=O)c1ncccc1[O-] ZINC001718468914 1183231834 /nfs/dbraw/zinc/23/18/34/1183231834.db2.gz CANSVJRYBAQSFB-NWDGAFQWSA-N -1 1 321.377 0.648 20 0 DCADMM COCCCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001718656731 1183310952 /nfs/dbraw/zinc/31/09/52/1183310952.db2.gz NSORDTXPPXRAKC-VXGBXAGGSA-N -1 1 321.377 0.933 20 0 DCADMM C[C@@H]1OCC[C@H]1C(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001720471125 1183618611 /nfs/dbraw/zinc/61/86/11/1183618611.db2.gz PQVABWXCEOGJCL-NWDGAFQWSA-N -1 1 321.377 0.791 20 0 DCADMM O=C(NC/C=C/CNC(=O)[C@H]1CC12CC2)c1ncccc1[O-] ZINC001721838316 1184071122 /nfs/dbraw/zinc/07/11/22/1184071122.db2.gz OIWGNWHTOIIECK-FMBMQGQPSA-N -1 1 301.346 0.990 20 0 DCADMM CCCCCCC(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001733316593 1186225227 /nfs/dbraw/zinc/22/52/27/1186225227.db2.gz BPBKEYQQUDHUAI-UHFFFAOYSA-N -1 1 309.414 0.721 20 0 DCADMM Cc1ocnc1C(=O)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001733639798 1186386093 /nfs/dbraw/zinc/38/60/93/1186386093.db2.gz SVFXRMKFELIGOH-SNVBAGLBSA-N -1 1 320.353 0.449 20 0 DCADMM Cc1noc(C(=O)NCCNC(=O)c2ncccc2[O-])c1C ZINC001736722831 1187065218 /nfs/dbraw/zinc/06/52/18/1187065218.db2.gz GDTIKBBETUEIRK-UHFFFAOYSA-N -1 1 304.306 0.552 20 0 DCADMM CN(CCCNC(=O)[C@@H]1CCCO1)C(=O)c1ncccc1[O-] ZINC001737094597 1187238012 /nfs/dbraw/zinc/23/80/12/1187238012.db2.gz VSQDJPICAHCMOH-LBPRGKRZSA-N -1 1 307.350 0.545 20 0 DCADMM CC[C@@H](CNC(=O)CCCOC)NC(=O)c1ncccc1[O-] ZINC001738106869 1187474709 /nfs/dbraw/zinc/47/47/09/1187474709.db2.gz GVVXVAXZHVUCRN-NSHDSACASA-N -1 1 309.366 0.838 20 0 DCADMM COCCCC(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001738235966 1187497035 /nfs/dbraw/zinc/49/70/35/1187497035.db2.gz CNZJNRAXTVBSLP-NSHDSACASA-N -1 1 309.366 0.696 20 0 DCADMM CCOCCC(=O)N[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001739679177 1187826790 /nfs/dbraw/zinc/82/67/90/1187826790.db2.gz AYNCXWHCPKJIQQ-MRXNPFEDSA-N -1 1 321.377 0.935 20 0 DCADMM Cc1nccc(C(=O)NCCNC(=O)c2ncccc2[O-])n1 ZINC001742356572 1187964713 /nfs/dbraw/zinc/96/47/13/1187964713.db2.gz RAAGMGBJDMYRJZ-UHFFFAOYSA-N -1 1 301.306 0.045 20 0 DCADMM C[C@@]1(C(=O)NCCCNC(=O)c2ncccc2[O-])CCCOC1 ZINC001742832682 1188061670 /nfs/dbraw/zinc/06/16/70/1188061670.db2.gz CGUPURVLJQBYJQ-MRXNPFEDSA-N -1 1 321.377 0.840 20 0 DCADMM C[C@H]1CO[C@H](C(=O)N(C)CCCNC(=O)c2ncccc2[O-])C1 ZINC001743435399 1188131225 /nfs/dbraw/zinc/13/12/25/1188131225.db2.gz VDNNLOVGYKKOBZ-YPMHNXCESA-N -1 1 321.377 0.791 20 0 DCADMM Cn1ccc(C(=O)NC/C=C\CNC(=O)c2ncccc2[O-])n1 ZINC001747181207 1188246652 /nfs/dbraw/zinc/24/66/52/1188246652.db2.gz KFFVSBCCAIREOF-IHWYPQMZSA-N -1 1 315.333 0.237 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)/C=C\C(C)(C)C)nc1=O ZINC001753099071 1188497625 /nfs/dbraw/zinc/49/76/25/1188497625.db2.gz ZVZJAIFUQPCYJZ-KRZKBDHCSA-N -1 1 321.425 0.791 20 0 DCADMM CC/C=C(/C)C(=O)NCCN(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC001753151015 1188515339 /nfs/dbraw/zinc/51/53/39/1188515339.db2.gz PULUVLVMWSNUGW-WZUFQYTHSA-N -1 1 307.398 0.545 20 0 DCADMM COc1cccc(CC(=O)N(C)CCNCc2n[nH]c(=O)[n-]2)c1 ZINC001753258170 1188551314 /nfs/dbraw/zinc/55/13/14/1188551314.db2.gz YIBXIRPLNMNBQG-UHFFFAOYSA-N -1 1 319.365 0.310 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H](C)c1ccco1 ZINC001754067249 1188726823 /nfs/dbraw/zinc/72/68/23/1188726823.db2.gz OWNODOXPIZTQDL-JTQLQIEISA-N -1 1 307.354 0.845 20 0 DCADMM O=C(C[C@H]1CCCCO1)NCCCNC(=O)c1ncccc1[O-] ZINC001758152526 1189756105 /nfs/dbraw/zinc/75/61/05/1189756105.db2.gz IRJGRMOKCWXUOV-GFCCVEGCSA-N -1 1 321.377 0.983 20 0 DCADMM CCn1nnnc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001771936955 1190382570 /nfs/dbraw/zinc/38/25/70/1190382570.db2.gz IYIDMEUEPUPKHQ-QMMMGPOBSA-N -1 1 306.292 0.588 20 0 DCADMM COC(=O)c1cccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)n1 ZINC001771657300 1190415929 /nfs/dbraw/zinc/41/59/29/1190415929.db2.gz CENZMDVTJXDYNX-MRVPVSSYSA-N -1 1 304.310 0.257 20 0 DCADMM Cc1noc(CCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)n1 ZINC001771661171 1190422761 /nfs/dbraw/zinc/42/27/61/1190422761.db2.gz UIEXUEXFPIXBAS-MRVPVSSYSA-N -1 1 309.355 0.140 20 0 DCADMM C[C@H]1CCN(c2nnc(Cc3nnn[n-]3)n2C)CC12CCC2 ZINC001772156272 1190616806 /nfs/dbraw/zinc/61/68/06/1190616806.db2.gz JMUPTYOPTWXTIY-JTQLQIEISA-N -1 1 302.386 0.936 20 0 DCADMM C[C@H]1CCN(c2nnc(Cc3nn[n-]n3)n2C)CC12CCC2 ZINC001772156272 1190616808 /nfs/dbraw/zinc/61/68/08/1190616808.db2.gz JMUPTYOPTWXTIY-JTQLQIEISA-N -1 1 302.386 0.936 20 0 DCADMM CC[C@@H]1CN(c2nnc(Cc3nnn[n-]3)n2C)C[C@H](CC)O1 ZINC001772158599 1190617513 /nfs/dbraw/zinc/61/75/13/1190617513.db2.gz YVFYJCSTFBILMS-AOOOYVTPSA-N -1 1 306.374 0.313 20 0 DCADMM CC[C@@H]1CN(c2nnc(Cc3nn[n-]n3)n2C)C[C@H](CC)O1 ZINC001772158599 1190617515 /nfs/dbraw/zinc/61/75/15/1190617515.db2.gz YVFYJCSTFBILMS-AOOOYVTPSA-N -1 1 306.374 0.313 20 0 DCADMM CCn1c(-c2nnn[n-]2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001772184345 1190624560 /nfs/dbraw/zinc/62/45/60/1190624560.db2.gz RIBRDRVYGGHIGM-CYBMUJFWSA-N -1 1 304.358 0.485 20 0 DCADMM CCn1c(-c2nn[n-]n2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001772184345 1190624561 /nfs/dbraw/zinc/62/45/61/1190624561.db2.gz RIBRDRVYGGHIGM-CYBMUJFWSA-N -1 1 304.358 0.485 20 0 DCADMM COCCn1c(Cc2nnn[n-]2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001772296474 1190656480 /nfs/dbraw/zinc/65/64/80/1190656480.db2.gz XRXFLRRURRGYDQ-ZJUUUORDSA-N -1 1 306.374 0.263 20 0 DCADMM COCCn1c(Cc2nn[n-]n2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001772296474 1190656481 /nfs/dbraw/zinc/65/64/81/1190656481.db2.gz XRXFLRRURRGYDQ-ZJUUUORDSA-N -1 1 306.374 0.263 20 0 DCADMM C[C@H]1CCN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)C[C@@H]1F ZINC001772399641 1190672517 /nfs/dbraw/zinc/67/25/17/1190672517.db2.gz KLDHCHSHAQNLLC-ONGXEEELSA-N -1 1 320.376 0.976 20 0 DCADMM C[C@H]1CCN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)C[C@@H]1F ZINC001772399641 1190672521 /nfs/dbraw/zinc/67/25/21/1190672521.db2.gz KLDHCHSHAQNLLC-ONGXEEELSA-N -1 1 320.376 0.976 20 0 DCADMM COCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715816 751385028 /nfs/dbraw/zinc/38/50/28/751385028.db2.gz LCELBMULCIIIQJ-HAQNSBGRSA-N -1 1 321.377 0.838 20 0 DCADMM CC[C@]1(C(=O)N[C@@H](CCSC)c2nn[n-]n2)CCNC1=O ZINC001167448409 747227331 /nfs/dbraw/zinc/22/73/31/747227331.db2.gz HYBQWBYIGPKLDI-UFBFGSQYSA-N -1 1 312.399 0.026 20 0 DCADMM COCCOC1(CNC(=O)c2cncc([O-])c2)CCOCC1 ZINC001141029918 747896573 /nfs/dbraw/zinc/89/65/73/747896573.db2.gz HXYWKFATFQKMPZ-UHFFFAOYSA-N -1 1 310.350 0.729 20 0 DCADMM O=C1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CN1 ZINC000692849004 748296763 /nfs/dbraw/zinc/29/67/63/748296763.db2.gz MHLHGUOYHOPNSJ-ZCFIWIBFSA-N -1 1 307.734 0.289 20 0 DCADMM CC(C)(C)NC(=O)CN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001112783789 761918083 /nfs/dbraw/zinc/91/80/83/761918083.db2.gz CQERHRNDTMTHTC-UHFFFAOYSA-N -1 1 320.393 0.460 20 0 DCADMM Cc1ncc(C)c(NC[C@H](O)CNC(=O)c2ncccc2[O-])n1 ZINC001105802659 750485915 /nfs/dbraw/zinc/48/59/15/750485915.db2.gz PIDDCWIOMZHPHG-NSHDSACASA-N -1 1 317.349 0.397 20 0 DCADMM CC(=O)OCC(COC(C)=O)OCCCC[P@](=O)([O-])O ZINC001225019672 750519630 /nfs/dbraw/zinc/51/96/30/750519630.db2.gz ZSANVLWJTZQIRK-UHFFFAOYSA-N -1 1 312.255 0.456 20 0 DCADMM COCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001071700254 762073070 /nfs/dbraw/zinc/07/30/70/762073070.db2.gz PULUKFGATZSVHE-VXGBXAGGSA-N -1 1 321.377 0.791 20 0 DCADMM O=C([O-])[C@@]1(C(=O)N[C@@H]2CCSC3(CCC3)C2)CNCCO1 ZINC001122201793 751012449 /nfs/dbraw/zinc/01/24/49/751012449.db2.gz DBPIOOITFDJSMM-YGRLFVJLSA-N -1 1 314.407 0.364 20 0 DCADMM CO[C@H](C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1)C1CCC1 ZINC001045140782 753057921 /nfs/dbraw/zinc/05/79/21/753057921.db2.gz VQAJSNGALKQION-AAEUAGOBSA-N -1 1 323.397 0.406 20 0 DCADMM CC(C)(F)C(=O)N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2 ZINC001078536562 753288197 /nfs/dbraw/zinc/28/81/97/753288197.db2.gz OESSCQCPCUKNHR-IUCAKERBSA-N -1 1 311.361 0.775 20 0 DCADMM CC(C)[C@H](C)C(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1 ZINC001046952399 754039218 /nfs/dbraw/zinc/03/92/18/754039218.db2.gz WVVBPHVCVRJXTI-NSHDSACASA-N -1 1 321.377 0.382 20 0 DCADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2)C(F)F ZINC001047001681 754061553 /nfs/dbraw/zinc/06/15/53/754061553.db2.gz TXWWYFKYHVAJLZ-FXQIFTODSA-N -1 1 301.297 0.245 20 0 DCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2)c1ccc[nH]1 ZINC001047024864 754067342 /nfs/dbraw/zinc/06/73/42/754067342.db2.gz STFODZUVNSRMTE-AXFHLTTASA-N -1 1 316.365 0.621 20 0 DCADMM CC[C@@H](F)CN1C[C@H](O)[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001047359416 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IKYPUDAFBVCWAG-LLVKDONJSA-N -1 1 309.341 0.720 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054329327 756439462 /nfs/dbraw/zinc/43/94/62/756439462.db2.gz QRAMQYJTVOAAIQ-BXKDBHETSA-N -1 1 319.340 0.900 20 0 DCADMM Cc1noc(C)c1C(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054370725 756456330 /nfs/dbraw/zinc/45/63/30/756456330.db2.gz CMBLRHBHKDRENK-OIBJUYFYSA-N -1 1 320.353 0.365 20 0 DCADMM C[C@@H]1CN(C(=O)COC2CCCC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054411226 756472834 /nfs/dbraw/zinc/47/28/34/756472834.db2.gz LCTMMMZQOSPORA-PWSUYJOCSA-N -1 1 323.397 0.406 20 0 DCADMM C[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054540058 756534605 /nfs/dbraw/zinc/53/46/05/756534605.db2.gz JJQBKPCDMYNMJJ-LDYMZIIASA-N -1 1 320.328 0.295 20 0 DCADMM C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054547003 756536309 /nfs/dbraw/zinc/53/63/09/756536309.db2.gz HKQRALPEXDWIOD-CBAPKCEASA-N -1 1 315.324 0.492 20 0 DCADMM 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ZINC001070648239 761374059 /nfs/dbraw/zinc/37/40/59/761374059.db2.gz BUXVASKLRRVWOV-DGCLKSJQSA-N -1 1 321.377 0.933 20 0 DCADMM CC(=O)N1CCC([C@@H]2OCC[C@H]2NCc2n[nH]c(=O)[n-]2)CC1 ZINC001071029221 761592743 /nfs/dbraw/zinc/59/27/43/761592743.db2.gz NKKIIHYMTOCKBY-YPMHNXCESA-N -1 1 309.370 0.016 20 0 DCADMM O=C(N[C@H]1COC(=O)C1)c1cc([O-])c(Br)c(O)c1 ZINC001148995728 768063320 /nfs/dbraw/zinc/06/33/20/768063320.db2.gz GYMWXKKQOPVQHJ-ZCFIWIBFSA-N -1 1 316.107 0.906 20 0 DCADMM CC[C@@H](C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001115007509 761715876 /nfs/dbraw/zinc/71/58/76/761715876.db2.gz KVNPASHOTSOETR-FJJYHAOUSA-N -1 1 321.425 0.481 20 0 DCADMM C[C@H]1CC[C@@H](NC(=O)c2ccc[nH]2)CN1Cc1nc(=O)n(C)[n-]1 ZINC001071342597 761787236 /nfs/dbraw/zinc/78/72/36/761787236.db2.gz KSMSRYIMQAFZLS-WDEREUQCSA-N -1 1 318.381 0.219 20 0 DCADMM CCC[C@@H](C)CC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001114015083 762758942 /nfs/dbraw/zinc/75/89/42/762758942.db2.gz 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/nfs/dbraw/zinc/16/18/64/1013161864.db2.gz NXGIXLBXRZJIMY-ZDUSSCGKSA-N -1 1 319.342 0.399 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)c1 ZINC001594300871 957906567 /nfs/dbraw/zinc/90/65/67/957906567.db2.gz WPLUTODDURDOEM-UHFFFAOYSA-N -1 1 320.345 0.792 20 0 DCADMM Cc1ccncc1C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1 ZINC001367505867 957920076 /nfs/dbraw/zinc/92/00/76/957920076.db2.gz FFWLDJVZSZNSCJ-UHFFFAOYSA-N -1 1 318.381 0.016 20 0 DCADMM Cc1cc(CN2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)[nH]n1 ZINC001594303096 957928988 /nfs/dbraw/zinc/92/89/88/957928988.db2.gz JWRGSCJBHUNJKI-LLVKDONJSA-N -1 1 306.366 0.616 20 0 DCADMM C[C@@H](COC(=O)c1ccc(C(=O)[O-])cn1)CN1CCOCC1 ZINC001603201372 972308801 /nfs/dbraw/zinc/30/88/01/972308801.db2.gz AHAVPJBKNMWOJK-LLVKDONJSA-N -1 1 308.334 0.905 20 0 DCADMM COc1cc(CN[C@@H]2CCCCN(CC(=O)[O-])C2=O)sn1 ZINC001594058398 958062222 /nfs/dbraw/zinc/06/22/22/958062222.db2.gz UUXCFZYHDCJOAW-SNVBAGLBSA-N -1 1 313.379 0.707 20 0 DCADMM Cc1cc(NC(=O)CN[C@@H](Cc2ccccc2)C(=O)[O-])n(C)n1 ZINC001594316875 958072284 /nfs/dbraw/zinc/07/22/84/958072284.db2.gz UGAMNIKKNBZWLD-ZDUSSCGKSA-N -1 1 316.361 0.953 20 0 DCADMM COC(=O)COc1ccc(NC(=O)CCc2nn[n-]n2)cc1 ZINC001361648458 958174558 /nfs/dbraw/zinc/17/45/58/958174558.db2.gz YRXLJOAMZIRWPU-UHFFFAOYSA-N -1 1 305.294 0.323 20 0 DCADMM O=C(CCc1nn[n-]n1)Nc1nc(CN2CCOCC2)cs1 ZINC001361665530 958192639 /nfs/dbraw/zinc/19/26/39/958192639.db2.gz IDRISPODAJWXMN-UHFFFAOYSA-N -1 1 323.382 0.060 20 0 DCADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@]1(F)CCS(=O)(=O)C1 ZINC001361670748 958198557 /nfs/dbraw/zinc/19/85/57/958198557.db2.gz BXUFPULMSLKUJD-ZETCQYMHSA-N -1 1 316.236 0.289 20 0 DCADMM Cc1csc(CCNC(=O)CNC(=O)c2ncccc2[O-])n1 ZINC001361696980 958226993 /nfs/dbraw/zinc/22/69/93/958226993.db2.gz WITXXVIUNJMXTH-UHFFFAOYSA-N -1 1 320.374 0.641 20 0 DCADMM Cc1ccc(NC(=O)CN(C)C(=O)CCc2nn[n-]n2)cc1 ZINC001361770487 958308919 /nfs/dbraw/zinc/30/89/19/958308919.db2.gz CFHHGOGWAXMNKI-UHFFFAOYSA-N -1 1 302.338 0.538 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1c(C)[nH][nH]c1=O ZINC001361771997 958313491 /nfs/dbraw/zinc/31/34/91/958313491.db2.gz PSLXQZVXWZYNJL-MRVPVSSYSA-N -1 1 323.378 0.454 20 0 DCADMM CCOC(=O)c1csc(CNC(=O)CCc2nn[n-]n2)n1 ZINC001361772089 958313684 /nfs/dbraw/zinc/31/36/84/958313684.db2.gz QNCZCUZHFKLLSK-UHFFFAOYSA-N -1 1 310.339 0.082 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H](C)c1ccsc1 ZINC001367694804 958383254 /nfs/dbraw/zinc/38/32/54/958383254.db2.gz GGJRHGMRWQZULL-BDAKNGLRSA-N -1 1 309.395 0.970 20 0 DCADMM COc1cc(CNC(=O)c2cnncc2[O-])ccc1OCCO ZINC001361877125 958438598 /nfs/dbraw/zinc/43/85/98/958438598.db2.gz OTVPQELNHRFYNY-UHFFFAOYSA-N -1 1 319.317 0.492 20 0 DCADMM COc1ncccc1CNC[C@H](C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001367729772 958457026 /nfs/dbraw/zinc/45/70/26/958457026.db2.gz GRTSBOZFIDTJPV-VIFPVBQESA-N -1 1 319.365 0.735 20 0 DCADMM O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1cnncc1[O-] ZINC001361946367 958523589 /nfs/dbraw/zinc/52/35/89/958523589.db2.gz 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/nfs/dbraw/zinc/67/81/03/958678103.db2.gz GISGKNRSGUWYCU-NSHDSACASA-N -1 1 307.350 0.497 20 0 DCADMM CC(=O)NCc1ccc(-c2nc([C@@H](N)CC(=O)[O-])no2)s1 ZINC001588514672 958780437 /nfs/dbraw/zinc/78/04/37/958780437.db2.gz UCQKJSARVJZLAY-QMMMGPOBSA-N -1 1 310.335 0.909 20 0 DCADMM CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)Nc2nnn[n-]2)CO1 ZINC001362137414 958802427 /nfs/dbraw/zinc/80/24/27/958802427.db2.gz HIPNTEICQIMQPS-IUCAKERBSA-N -1 1 311.342 0.665 20 0 DCADMM CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)Nc2nn[n-]n2)CO1 ZINC001362137414 958802449 /nfs/dbraw/zinc/80/24/49/958802449.db2.gz HIPNTEICQIMQPS-IUCAKERBSA-N -1 1 311.342 0.665 20 0 DCADMM CCS(=O)(=O)c1cccc(NC(=O)CCCc2nn[n-]n2)c1 ZINC001362143622 958817450 /nfs/dbraw/zinc/81/74/50/958817450.db2.gz ONEMFIFXQLNMDN-UHFFFAOYSA-N -1 1 323.378 0.955 20 0 DCADMM CN(C)C[C@H]1CCCN1S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134706292 958854380 /nfs/dbraw/zinc/85/43/80/958854380.db2.gz WBRKTFIHLGUJFG-MRVPVSSYSA-N -1 1 319.408 0.556 20 0 DCADMM CN1C(=O)CC[C@@H]1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001362164663 958859362 /nfs/dbraw/zinc/85/93/62/958859362.db2.gz DBNCBXMIDKAHBU-LLVKDONJSA-N -1 1 316.321 0.338 20 0 DCADMM CCC[C@@H](NC(=O)[C@@H]1CC(c2ccccn2)=NO1)c1nn[n-]n1 ZINC001362211227 958934153 /nfs/dbraw/zinc/93/41/53/958934153.db2.gz MVSBCQPDDNNPIO-PWSUYJOCSA-N -1 1 315.337 0.745 20 0 DCADMM COC(=O)CCCc1csc(NC(=O)CCc2nn[n-]n2)n1 ZINC001362222981 958956408 /nfs/dbraw/zinc/95/64/08/958956408.db2.gz FTOCMVRWSRRBRL-UHFFFAOYSA-N -1 1 324.366 0.723 20 0 DCADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001367972900 958985615 /nfs/dbraw/zinc/98/56/15/958985615.db2.gz CDDIZWZJOZECNI-STQMWFEESA-N -1 1 323.441 0.871 20 0 DCADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001362268138 959035911 /nfs/dbraw/zinc/03/59/11/959035911.db2.gz JTMNXQLCWWBTOE-HBNTYKKESA-N -1 1 301.354 0.443 20 0 DCADMM CC(C)(C(N)=O)N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC001362287795 959076417 /nfs/dbraw/zinc/07/64/17/959076417.db2.gz RZHNQIMLYDCGBE-UHFFFAOYSA-N -1 1 309.341 0.553 20 0 DCADMM C[C@H]1OC(=O)N[C@H]1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001362294039 959087885 /nfs/dbraw/zinc/08/78/85/959087885.db2.gz BJOYXYBVNZHSEQ-RDDDGLTNSA-N -1 1 318.293 0.214 20 0 DCADMM O=C(NCCCNC(=O)[C@H]1C[C@]12CCOC2)c1ncccc1[O-] ZINC001491678254 959124657 /nfs/dbraw/zinc/12/46/57/959124657.db2.gz FWQHXSATSWSJPI-BZNIZROVSA-N -1 1 319.361 0.450 20 0 DCADMM COc1ccc2c(c1)OC[C@@H](NC(=O)CCCc1nn[n-]n1)C2 ZINC001362317158 959130484 /nfs/dbraw/zinc/13/04/84/959130484.db2.gz PPTLNYWQHHVFFC-NSHDSACASA-N -1 1 317.349 0.651 20 0 DCADMM COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC001362326200 959150563 /nfs/dbraw/zinc/15/05/63/959150563.db2.gz ODEISEXQTSXIBA-GARJFASQSA-N -1 1 309.370 0.741 20 0 DCADMM CSc1ncc(C(=O)N(C)[C@@H](CO)COC(C)C)c(=O)[n-]1 ZINC001362351403 959194619 /nfs/dbraw/zinc/19/46/19/959194619.db2.gz FJOAZLJLVJRBQR-VIFPVBQESA-N -1 1 315.395 0.762 20 0 DCADMM CSc1ncc(C(=O)NC[C@H](C)c2nncn2C)c(=O)[n-]1 ZINC001362369481 959230396 /nfs/dbraw/zinc/23/03/96/959230396.db2.gz GCKCAQSAEHUKDA-ZETCQYMHSA-N -1 1 308.367 0.566 20 0 DCADMM O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1ccc([O-])cn1 ZINC001362377318 959246668 /nfs/dbraw/zinc/24/66/68/959246668.db2.gz NTBHIRONFSUUSS-VIFPVBQESA-N -1 1 322.346 0.596 20 0 DCADMM CCC[C@@H](NC(=O)[C@H]1CCc2nncn2CC1)c1nn[n-]n1 ZINC001362387360 959258301 /nfs/dbraw/zinc/25/83/01/959258301.db2.gz VEEPXQPFMKSXSR-VHSXEESVSA-N -1 1 304.358 0.401 20 0 DCADMM CO[C@H]1CCC[C@@H](C(=O)N2CCC(O)(c3nn[n-]n3)CC2)C1 ZINC001362439938 959359044 /nfs/dbraw/zinc/35/90/44/959359044.db2.gz ZAFKISNVQFTDMC-MNOVXSKESA-N -1 1 309.370 0.215 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](O)CC(C)(C)C1 ZINC001362440906 959362376 /nfs/dbraw/zinc/36/23/76/959362376.db2.gz ISKKHNWOEUPKLB-QMMMGPOBSA-N -1 1 311.338 0.520 20 0 DCADMM O=C(CCc1nn[n-]n1)NCc1nnc(C2CC2)n1C1CC1 ZINC001362452031 959382485 /nfs/dbraw/zinc/38/24/85/959382485.db2.gz HHNKDZXRRXTQDG-UHFFFAOYSA-N -1 1 302.342 0.253 20 0 DCADMM CCOC(=O)c1cc(NC(=O)[C@@H]2CCc3nncn3CC2)n[nH]1 ZINC001362453001 959384292 /nfs/dbraw/zinc/38/42/92/959384292.db2.gz QMHXGHZMWORXPU-SECBINFHSA-N -1 1 318.337 0.769 20 0 DCADMM O=C(Nc1cn[nH]c1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001362475584 959427978 /nfs/dbraw/zinc/42/79/78/959427978.db2.gz QEAJQZNMOOSGBF-SECBINFHSA-N -1 1 301.306 0.611 20 0 DCADMM CN(C(=O)c1cnncc1[O-])[C@H](CC(N)=O)c1ccccc1 ZINC001362493675 959462798 /nfs/dbraw/zinc/46/27/98/959462798.db2.gz PWFQXVRCGKNFTJ-GFCCVEGCSA-N -1 1 300.318 0.871 20 0 DCADMM Cn1cc(NC(=O)CCCc2nn[n-]n2)c(C(F)(F)F)n1 ZINC001362498168 959469140 /nfs/dbraw/zinc/46/91/40/959469140.db2.gz SXTTYUJKAXHFIG-UHFFFAOYSA-N -1 1 303.248 0.913 20 0 DCADMM COC(=O)Cc1occc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC001362497884 959469435 /nfs/dbraw/zinc/46/94/35/959469435.db2.gz ISKOUHKCMMLJEK-QMMMGPOBSA-N -1 1 307.310 0.384 20 0 DCADMM C[C@@H](NC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1)c1nnc[nH]1 ZINC001573620564 959501270 /nfs/dbraw/zinc/50/12/70/959501270.db2.gz 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/nfs/dbraw/zinc/65/32/24/606653224.db2.gz TWZFWSZGQJVBIN-SNVBAGLBSA-N -1 1 321.337 0.747 20 0 DCADMM CCOCCO[C@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821384298 606653225 /nfs/dbraw/zinc/65/32/25/606653225.db2.gz TWZFWSZGQJVBIN-SNVBAGLBSA-N -1 1 321.337 0.747 20 0 DCADMM O=C(NC[C@H](CO)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823162003 606698408 /nfs/dbraw/zinc/69/84/08/606698408.db2.gz RFWWNBQIWCSCDK-CYBMUJFWSA-N -1 1 324.344 0.768 20 0 DCADMM O=C(NC[C@H](CO)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823162003 606698409 /nfs/dbraw/zinc/69/84/09/606698409.db2.gz RFWWNBQIWCSCDK-CYBMUJFWSA-N -1 1 324.344 0.768 20 0 DCADMM CC[C@H]1CCC[C@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820980135 606807232 /nfs/dbraw/zinc/80/72/32/606807232.db2.gz KSGYCPHYPUVSCU-DTWKUNHWSA-N -1 1 319.369 0.255 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C/C=C/Cl ZINC000820789278 606853444 /nfs/dbraw/zinc/85/34/44/606853444.db2.gz ZQBANMKALWYGLC-PBKGFPTLSA-N -1 1 320.788 0.920 20 0 DCADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C/C=C/Cl ZINC000820789278 606853442 /nfs/dbraw/zinc/85/34/42/606853442.db2.gz ZQBANMKALWYGLC-PBKGFPTLSA-N -1 1 320.788 0.920 20 0 DCADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(=O)n(C)c1 ZINC000822209829 607099031 /nfs/dbraw/zinc/09/90/31/607099031.db2.gz YXEUOLOJWDMGKB-UHFFFAOYSA-N -1 1 311.305 0.521 20 0 DCADMM NC(=O)[C@@H]1CC[C@@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)O1 ZINC000822860058 607118591 /nfs/dbraw/zinc/11/85/91/607118591.db2.gz MOPPALSRUWVQRA-XPUUQOCRSA-N -1 1 323.744 0.360 20 0 DCADMM NC(=O)[C@@H]1CC[C@@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)O1 ZINC000822860058 607118593 /nfs/dbraw/zinc/11/85/93/607118593.db2.gz MOPPALSRUWVQRA-XPUUQOCRSA-N -1 1 323.744 0.360 20 0 DCADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820675523 607217210 /nfs/dbraw/zinc/21/72/10/607217210.db2.gz JYUBVAIFBMTJAE-MXWKQRLJSA-N -1 1 316.369 0.638 20 0 DCADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000825132845 607919727 /nfs/dbraw/zinc/91/97/27/607919727.db2.gz DTVFNMVJIRZZDV-UWVGGRQHSA-N -1 1 320.357 0.679 20 0 DCADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825132845 607919728 /nfs/dbraw/zinc/91/97/28/607919728.db2.gz DTVFNMVJIRZZDV-UWVGGRQHSA-N -1 1 320.357 0.679 20 0 DCADMM c1ncn(C[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC000826526630 607990840 /nfs/dbraw/zinc/99/08/40/607990840.db2.gz GFVUJTJNAQKKOU-JTQLQIEISA-N -1 1 312.341 0.165 20 0 DCADMM c1ncn(C[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC000826526630 607990841 /nfs/dbraw/zinc/99/08/41/607990841.db2.gz GFVUJTJNAQKKOU-JTQLQIEISA-N -1 1 312.341 0.165 20 0 DCADMM c1ccn2c(c1)nnc2CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826525197 607990948 /nfs/dbraw/zinc/99/09/48/607990948.db2.gz ZWQNCECLVWSWMI-UHFFFAOYSA-N -1 1 308.309 0.354 20 0 DCADMM c1ccn2c(c1)nnc2CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826525197 607990949 /nfs/dbraw/zinc/99/09/49/607990949.db2.gz ZWQNCECLVWSWMI-UHFFFAOYSA-N -1 1 308.309 0.354 20 0 DCADMM COCC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826153771 608007969 /nfs/dbraw/zinc/00/79/69/608007969.db2.gz ZNJPLMYKJUUENM-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM COCC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826153771 608007970 /nfs/dbraw/zinc/00/79/70/608007970.db2.gz ZNJPLMYKJUUENM-UHFFFAOYSA-N -1 1 323.378 0.542 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000826433085 608079960 /nfs/dbraw/zinc/07/99/60/608079960.db2.gz TWKDUZMMXACBNH-UHFFFAOYSA-N -1 1 314.330 0.936 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000826433085 608079961 /nfs/dbraw/zinc/07/99/61/608079961.db2.gz TWKDUZMMXACBNH-UHFFFAOYSA-N -1 1 314.330 0.936 20 0 DCADMM O=C(NC[C@@H](O)c1ccccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000826433940 608197827 /nfs/dbraw/zinc/19/78/27/608197827.db2.gz WIYVHAKEMAISIE-SECBINFHSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC[C@@H](O)c1ccccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000826433940 608197829 /nfs/dbraw/zinc/19/78/29/608197829.db2.gz WIYVHAKEMAISIE-SECBINFHSA-N -1 1 316.346 0.787 20 0 DCADMM C[C@@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCOC1 ZINC000824838877 608250832 /nfs/dbraw/zinc/25/08/32/608250832.db2.gz VVHMRANDJSAQJE-GFCCVEGCSA-N -1 1 324.366 0.109 20 0 DCADMM C[C@@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCOC1 ZINC000824838877 608250833 /nfs/dbraw/zinc/25/08/33/608250833.db2.gz VVHMRANDJSAQJE-GFCCVEGCSA-N -1 1 324.366 0.109 20 0 DCADMM OC[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccco1 ZINC000826507371 608396167 /nfs/dbraw/zinc/39/61/67/608396167.db2.gz NLINNWLJPAIMKH-VIFPVBQESA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccco1 ZINC000826507371 608396168 /nfs/dbraw/zinc/39/61/68/608396168.db2.gz NLINNWLJPAIMKH-VIFPVBQESA-N -1 1 301.310 0.513 20 0 DCADMM CN(C)C(=O)[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825840002 608419503 /nfs/dbraw/zinc/41/95/03/608419503.db2.gz MPFQUUPDSFABMI-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM CN(C)C(=O)[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825840002 608419505 /nfs/dbraw/zinc/41/95/05/608419505.db2.gz MPFQUUPDSFABMI-ZJUUUORDSA-N -1 1 316.369 0.716 20 0 DCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1nnc2n1CCCC2 ZINC000824657946 608432705 /nfs/dbraw/zinc/43/27/05/608432705.db2.gz STKLCMVFKSKFJQ-QMMMGPOBSA-N -1 1 312.341 0.758 20 0 DCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1nnc2n1CCCC2 ZINC000824657946 608432707 /nfs/dbraw/zinc/43/27/07/608432707.db2.gz STKLCMVFKSKFJQ-QMMMGPOBSA-N -1 1 312.341 0.758 20 0 DCADMM c1cn(C[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)nn1 ZINC000826524755 608437016 /nfs/dbraw/zinc/43/70/16/608437016.db2.gz IVXVGGGUWNOHTD-JTQLQIEISA-N -1 1 312.341 0.165 20 0 DCADMM c1cn(C[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)nn1 ZINC000826524755 608437017 /nfs/dbraw/zinc/43/70/17/608437017.db2.gz IVXVGGGUWNOHTD-JTQLQIEISA-N -1 1 312.341 0.165 20 0 DCADMM C[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)S(N)(=O)=O ZINC000824426476 608444381 /nfs/dbraw/zinc/44/43/81/608444381.db2.gz GGBUSMGJDGPERE-YFKPBYRVSA-N -1 1 317.762 0.004 20 0 DCADMM C[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)S(N)(=O)=O ZINC000824426476 608444382 /nfs/dbraw/zinc/44/43/82/608444382.db2.gz GGBUSMGJDGPERE-YFKPBYRVSA-N -1 1 317.762 0.004 20 0 DCADMM CN(CC1CCOCC1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825914602 608472096 /nfs/dbraw/zinc/47/20/96/608472096.db2.gz LCAUHPMINZTSOR-UHFFFAOYSA-N -1 1 320.357 0.491 20 0 DCADMM CN(CC1CCOCC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825914602 608472098 /nfs/dbraw/zinc/47/20/98/608472098.db2.gz LCAUHPMINZTSOR-UHFFFAOYSA-N -1 1 320.357 0.491 20 0 DCADMM Cc1cnc([C@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)o1 ZINC000826317813 609472510 /nfs/dbraw/zinc/47/25/10/609472510.db2.gz NVOMMDKSIJTYRT-ZETCQYMHSA-N -1 1 317.309 0.879 20 0 DCADMM Cc1cnc([C@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)o1 ZINC000826317813 609472511 /nfs/dbraw/zinc/47/25/11/609472511.db2.gz NVOMMDKSIJTYRT-ZETCQYMHSA-N -1 1 317.309 0.879 20 0 DCADMM C[C@@H](O)c1cn(C2CN(Cc3ccc(-c4nnn[n-]4)o3)C2)nn1 ZINC000824707518 609494784 /nfs/dbraw/zinc/49/47/84/609494784.db2.gz SEIQPGUIDBEZRU-MRVPVSSYSA-N -1 1 316.325 0.161 20 0 DCADMM C[C@@H](O)c1cn(C2CN(Cc3ccc(-c4nn[n-]n4)o3)C2)nn1 ZINC000824707518 609494785 /nfs/dbraw/zinc/49/47/85/609494785.db2.gz SEIQPGUIDBEZRU-MRVPVSSYSA-N -1 1 316.325 0.161 20 0 DCADMM CC(=O)NC1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC000823988710 609605942 /nfs/dbraw/zinc/60/59/42/609605942.db2.gz ILDVSZBZOZXJMZ-UHFFFAOYSA-N -1 1 316.369 0.540 20 0 DCADMM CC(=O)NC1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC000823988710 609605945 /nfs/dbraw/zinc/60/59/45/609605945.db2.gz ILDVSZBZOZXJMZ-UHFFFAOYSA-N -1 1 316.369 0.540 20 0 DCADMM C[C@@H]1OCC[C@]1(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825012624 609611713 /nfs/dbraw/zinc/61/17/13/609611713.db2.gz KNGZMDXARCOENU-UFBFGSQYSA-N -1 1 324.366 0.108 20 0 DCADMM C[C@@H]1OCC[C@]1(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825012624 609611715 /nfs/dbraw/zinc/61/17/15/609611715.db2.gz KNGZMDXARCOENU-UFBFGSQYSA-N -1 1 324.366 0.108 20 0 DCADMM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2CCCO2)C1)c1ncccc1[O-] ZINC000978578577 660564805 /nfs/dbraw/zinc/56/48/05/660564805.db2.gz RKRBHPAWSWBXJG-NTZNESFSSA-N -1 1 319.361 0.591 20 0 DCADMM CO[C@H]1C[C@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)C1(C)C ZINC000866937944 662556892 /nfs/dbraw/zinc/55/68/92/662556892.db2.gz LNLDFYCHWSXAMW-UWVGGRQHSA-N -1 1 310.441 0.896 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)C2=CCCC2)CCO1 ZINC000979268355 660698413 /nfs/dbraw/zinc/69/84/13/660698413.db2.gz JMQRYNSEHNFTAP-PWSUYJOCSA-N -1 1 321.381 0.326 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)CC2CCC2)CCO1 ZINC000979254394 660696393 /nfs/dbraw/zinc/69/63/93/660696393.db2.gz LSYBHADUOFWVOY-CMPLNLGQSA-N -1 1 323.397 0.406 20 0 DCADMM COC(=O)c1ccc(C(=O)O[C@@H]2CN(C)[C@](C)(C(=O)OC)C2)[n-]1 ZINC000893569225 660819235 /nfs/dbraw/zinc/81/92/35/660819235.db2.gz AKUJCBACMFRKMF-VFZGTOFNSA-N -1 1 324.333 0.594 20 0 DCADMM Cn1[n-]c(CN2CC[C@H](NC(=O)c3ccsc3)C2)nc1=O ZINC001010083819 660870758 /nfs/dbraw/zinc/87/07/58/660870758.db2.gz YRYSCEBHSHIOOP-JTQLQIEISA-N -1 1 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/nfs/dbraw/zinc/87/22/93/1163872293.db2.gz MYRGHTIDXRHYMT-PWSUYJOCSA-N -1 1 307.350 0.448 20 0 DCADMM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)C(=O)N(C)C ZINC001575298553 1163965063 /nfs/dbraw/zinc/96/50/63/1163965063.db2.gz UUUBAYLARXUQEA-ZETCQYMHSA-N -1 1 323.382 0.204 20 0 DCADMM C[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)C1N=NC(=O)N1C ZINC001575346446 1163982545 /nfs/dbraw/zinc/98/25/45/1163982545.db2.gz XPMGIRGIGLXCBV-RXMQYKEDSA-N -1 1 320.338 0.253 20 0 DCADMM C[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)C1N=NC(=O)N1C ZINC001575346446 1163982549 /nfs/dbraw/zinc/98/25/49/1163982549.db2.gz XPMGIRGIGLXCBV-RXMQYKEDSA-N -1 1 320.338 0.253 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576085407 1164235989 /nfs/dbraw/zinc/23/59/89/1164235989.db2.gz NDAOLSUELIVOOU-AXTSPUMRSA-N -1 1 314.353 0.372 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576085407 1164235997 /nfs/dbraw/zinc/23/59/97/1164235997.db2.gz NDAOLSUELIVOOU-AXTSPUMRSA-N -1 1 314.353 0.372 20 0 DCADMM CCC(=O)NCC1(Nc2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001576471824 1164356300 /nfs/dbraw/zinc/35/63/00/1164356300.db2.gz SIAARBVJRWMXRX-UHFFFAOYSA-N -1 1 316.369 0.690 20 0 DCADMM CCC(=O)NCC1(Nc2cc(-c3nn[n-]n3)nc(CC)n2)CC1 ZINC001576471824 1164356304 /nfs/dbraw/zinc/35/63/04/1164356304.db2.gz SIAARBVJRWMXRX-UHFFFAOYSA-N -1 1 316.369 0.690 20 0 DCADMM CCC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001576487084 1164363503 /nfs/dbraw/zinc/36/35/03/1164363503.db2.gz LAVNXOSIRRKGBW-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CCC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001576487084 1164363506 /nfs/dbraw/zinc/36/35/06/1164363506.db2.gz LAVNXOSIRRKGBW-SNVBAGLBSA-N -1 1 316.369 0.399 20 0 DCADMM CC[C@H](C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576563938 1164393177 /nfs/dbraw/zinc/39/31/77/1164393177.db2.gz OUNXFYVOQAHJRG-UWVGGRQHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576563938 1164393186 /nfs/dbraw/zinc/39/31/86/1164393186.db2.gz OUNXFYVOQAHJRG-UWVGGRQHSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H](C)CC[C@@H](O)CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001576652488 1164423309 /nfs/dbraw/zinc/42/33/09/1164423309.db2.gz SMINOIAPJVBQOD-RKDXNWHRSA-N -1 1 307.358 0.863 20 0 DCADMM CC[C@H](F)C(=O)N(CC)CCNc1nccnc1-c1nnn[n-]1 ZINC001576927646 1164537055 /nfs/dbraw/zinc/53/70/55/1164537055.db2.gz OUVNRZZYUQHBDG-VIFPVBQESA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@H](F)C(=O)N(CC)CCNc1nccnc1-c1nn[n-]n1 ZINC001576927646 1164537061 /nfs/dbraw/zinc/53/70/61/1164537061.db2.gz OUVNRZZYUQHBDG-VIFPVBQESA-N -1 1 322.348 0.665 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001576939642 1164544082 /nfs/dbraw/zinc/54/40/82/1164544082.db2.gz GUCGSLYHFMIZSQ-DTWKUNHWSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001576939642 1164544084 /nfs/dbraw/zinc/54/40/84/1164544084.db2.gz GUCGSLYHFMIZSQ-DTWKUNHWSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@@H](F)C(=O)NCCN(CC)c1cnc(-c2nnn[n-]2)cn1 ZINC001576956378 1164553986 /nfs/dbraw/zinc/55/39/86/1164553986.db2.gz GAMDZPJVPXTIGE-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM CC[C@@H](F)C(=O)NCCN(CC)c1cnc(-c2nn[n-]n2)cn1 ZINC001576956378 1164553992 /nfs/dbraw/zinc/55/39/92/1164553992.db2.gz GAMDZPJVPXTIGE-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM CN(CCCNC(=O)c1ncccc1[O-])C(=O)c1cnccn1 ZINC001576974674 1164566860 /nfs/dbraw/zinc/56/68/60/1164566860.db2.gz MNWISXSAXUTCKO-UHFFFAOYSA-N -1 1 315.333 0.469 20 0 DCADMM COC[C@H](C)C(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001576975662 1164568194 /nfs/dbraw/zinc/56/81/94/1164568194.db2.gz ZSWMHNWBBZWEFM-NSHDSACASA-N -1 1 309.366 0.648 20 0 DCADMM CCCC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001577194094 1164629925 /nfs/dbraw/zinc/62/99/25/1164629925.db2.gz FCEALLUJWUVQNR-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001577194094 1164629930 /nfs/dbraw/zinc/62/99/30/1164629930.db2.gz FCEALLUJWUVQNR-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001577197288 1164631279 /nfs/dbraw/zinc/63/12/79/1164631279.db2.gz DVOXXIPRNWQSMF-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001577197288 1164631286 /nfs/dbraw/zinc/63/12/86/1164631286.db2.gz DVOXXIPRNWQSMF-SNVBAGLBSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577225571 1164643600 /nfs/dbraw/zinc/64/36/00/1164643600.db2.gz UOUCVOLMLKRZSO-MGCOHNPYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577225571 1164643608 /nfs/dbraw/zinc/64/36/08/1164643608.db2.gz UOUCVOLMLKRZSO-MGCOHNPYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCCC(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001577408055 1164685894 /nfs/dbraw/zinc/68/58/94/1164685894.db2.gz IVXZECULCYRORV-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001577408055 1164685898 /nfs/dbraw/zinc/68/58/98/1164685898.db2.gz IVXZECULCYRORV-JTQLQIEISA-N -1 1 318.385 0.788 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CCCNC(C)=O)C1CC1 ZINC001577685550 1164767090 /nfs/dbraw/zinc/76/70/90/1164767090.db2.gz NFFYKVYFFHBYOD-UHFFFAOYSA-N -1 1 324.337 0.027 20 0 DCADMM CCN(CCNc1nccnc1-c1nnn[n-]1)C(=O)C1CC1 ZINC001578165596 1164942131 /nfs/dbraw/zinc/94/21/31/1164942131.db2.gz PAYPBGUILFLRAS-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CCN(CCNc1nccnc1-c1nn[n-]n1)C(=O)C1CC1 ZINC001578165596 1164942138 /nfs/dbraw/zinc/94/21/38/1164942138.db2.gz PAYPBGUILFLRAS-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CCN(c1ccnc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)C1CC1 ZINC001578192399 1164947791 /nfs/dbraw/zinc/94/77/91/1164947791.db2.gz LSUWBEYYJVCBMA-SECBINFHSA-N -1 1 316.369 0.398 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001578249633 1164962889 /nfs/dbraw/zinc/96/28/89/1164962889.db2.gz QLERSDCJXWBPNW-RNFRBKRXSA-N -1 1 322.350 0.139 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001578249633 1164962894 /nfs/dbraw/zinc/96/28/94/1164962894.db2.gz QLERSDCJXWBPNW-RNFRBKRXSA-N -1 1 322.350 0.139 20 0 DCADMM CCOC(=O)N[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C(C)C ZINC001578247336 1164963992 /nfs/dbraw/zinc/96/39/92/1164963992.db2.gz FXPKDLCKOHWHNJ-QMMMGPOBSA-N -1 1 322.329 0.299 20 0 DCADMM CCOC(=O)N[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C(C)C ZINC001578247336 1164963999 /nfs/dbraw/zinc/96/39/99/1164963999.db2.gz FXPKDLCKOHWHNJ-QMMMGPOBSA-N -1 1 322.329 0.299 20 0 DCADMM CCOC(=O)c1cnn(Cc2cn(C)nc2C)c1-c1nn[n-]n1 ZINC001578254375 1164964753 /nfs/dbraw/zinc/96/47/53/1164964753.db2.gz MJUXZGKLCPCOKY-UHFFFAOYSA-N -1 1 316.325 0.330 20 0 DCADMM CCO[C@@H]1COC[C@H]1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001578383368 1164993902 /nfs/dbraw/zinc/99/39/02/1164993902.db2.gz NUHZEPWMADYHOR-GHMZBOCLSA-N -1 1 317.353 0.750 20 0 DCADMM CCO[C@@H]1COC[C@H]1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001578383368 1164993906 /nfs/dbraw/zinc/99/39/06/1164993906.db2.gz NUHZEPWMADYHOR-GHMZBOCLSA-N -1 1 317.353 0.750 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(C)=O)C2)n1 ZINC001578590936 1165067053 /nfs/dbraw/zinc/06/70/53/1165067053.db2.gz LKZFVRPXNPEKRD-SNVBAGLBSA-N -1 1 316.369 0.324 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(C)=O)C2)n1 ZINC001578590936 1165067059 /nfs/dbraw/zinc/06/70/59/1165067059.db2.gz LKZFVRPXNPEKRD-SNVBAGLBSA-N -1 1 316.369 0.324 20 0 DCADMM CCc1nc(N[C@H](C)CNC(=O)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001578625092 1165071884 /nfs/dbraw/zinc/07/18/84/1165071884.db2.gz AKJVIQPOGPPXAL-MRVPVSSYSA-N -1 1 316.369 0.546 20 0 DCADMM CCc1nc(N[C@H](C)CNC(=O)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001578625092 1165071890 /nfs/dbraw/zinc/07/18/90/1165071890.db2.gz AKJVIQPOGPPXAL-MRVPVSSYSA-N -1 1 316.369 0.546 20 0 DCADMM CN(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)C(C)(C)F ZINC001579148187 1165224076 /nfs/dbraw/zinc/22/40/76/1165224076.db2.gz KCCRIHRSWUSBNF-UHFFFAOYSA-N -1 1 322.348 0.299 20 0 DCADMM CN(CCNC(=O)c1ccco1)c1cnc(-c2nnn[n-]2)cn1 ZINC001579200870 1165235655 /nfs/dbraw/zinc/23/56/55/1165235655.db2.gz WFBAWWBDFDVDQU-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN(CCNC(=O)c1ccco1)c1cnc(-c2nn[n-]n2)cn1 ZINC001579200870 1165235735 /nfs/dbraw/zinc/23/57/35/1165235735.db2.gz WFBAWWBDFDVDQU-UHFFFAOYSA-N -1 1 314.309 0.116 20 0 DCADMM CN(Cc1cnn(C)c1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001579268051 1165256045 /nfs/dbraw/zinc/25/60/45/1165256045.db2.gz PICCJBMLQRIPFN-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM CN(Cc1cnn(C)c1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001579268051 1165256051 /nfs/dbraw/zinc/25/60/51/1165256051.db2.gz PICCJBMLQRIPFN-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM CN1C(=O)c2ccccc2[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001579312200 1165269287 /nfs/dbraw/zinc/26/92/87/1165269287.db2.gz SWNXSIYHAZDWBP-NSHDSACASA-N -1 1 322.332 0.317 20 0 DCADMM CNC(=O)C1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001579387021 1165295413 /nfs/dbraw/zinc/29/54/13/1165295413.db2.gz SAMPATAEVQLZHG-UHFFFAOYSA-N -1 1 320.378 0.461 20 0 DCADMM CNC(=O)[C@@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001579386410 1165296398 /nfs/dbraw/zinc/29/63/98/1165296398.db2.gz IWZHSBBSXWDJNS-MRVPVSSYSA-N -1 1 318.312 0.214 20 0 DCADMM CNC(=O)[C@@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001579386410 1165296407 /nfs/dbraw/zinc/29/64/07/1165296407.db2.gz IWZHSBBSXWDJNS-MRVPVSSYSA-N -1 1 318.312 0.214 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001579466599 1165319089 /nfs/dbraw/zinc/31/90/89/1165319089.db2.gz DJWXNLBYQVAWMK-ZJUUUORDSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001579466599 1165319093 /nfs/dbraw/zinc/31/90/93/1165319093.db2.gz DJWXNLBYQVAWMK-ZJUUUORDSA-N -1 1 316.321 0.333 20 0 DCADMM COC(=O)[C@@H]1CN(Cc2csc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC001579469987 1165319694 /nfs/dbraw/zinc/31/96/94/1165319694.db2.gz HZZMEOJUCGIIDU-WPRPVWTQSA-N -1 1 323.378 0.691 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001579471870 1165322950 /nfs/dbraw/zinc/32/29/50/1165322950.db2.gz JNEMELUJQLLSBJ-VXNVDRBHSA-N -1 1 319.296 0.545 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001579471870 1165322955 /nfs/dbraw/zinc/32/29/55/1165322955.db2.gz JNEMELUJQLLSBJ-VXNVDRBHSA-N -1 1 319.296 0.545 20 0 DCADMM COC(=O)c1ccc(NCc2nocc2C)c(-c2nnn[n-]2)n1 ZINC001579485329 1165329453 /nfs/dbraw/zinc/32/94/53/1165329453.db2.gz UWMWLJSAIRXIMK-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1ccc(NCc2nocc2C)c(-c2nn[n-]n2)n1 ZINC001579485329 1165329459 /nfs/dbraw/zinc/32/94/59/1165329459.db2.gz UWMWLJSAIRXIMK-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM CO[C@H](Cn1cnc(-c2nn[n-]n2)cc1=O)c1ccc(F)cc1 ZINC001579596088 1165356318 /nfs/dbraw/zinc/35/63/18/1165356318.db2.gz NLUZICVZJXKHKV-GFCCVEGCSA-N -1 1 316.296 0.950 20 0 DCADMM COc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001579984851 1165460647 /nfs/dbraw/zinc/46/06/47/1165460647.db2.gz RBUWVQZOTLYVPZ-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1ccc(CCC(=O)n2ncc(-c3nn[n-]n3)c2N)cn1 ZINC001579995407 1165465332 /nfs/dbraw/zinc/46/53/32/1165465332.db2.gz DRNGEUNONKZCBL-UHFFFAOYSA-N -1 1 314.309 0.322 20 0 DCADMM COc1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1OC ZINC001580061757 1165489215 /nfs/dbraw/zinc/48/92/15/1165489215.db2.gz RNXABFQMTXAQCU-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM COc1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1OC ZINC001580061757 1165489219 /nfs/dbraw/zinc/48/92/19/1165489219.db2.gz RNXABFQMTXAQCU-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM COc1ncc(NC(=O)Cn2cc(C)cn2)cc1-c1nn[n-]n1 ZINC001580135025 1165512949 /nfs/dbraw/zinc/51/29/49/1165512949.db2.gz QZOXXVHOWYBUME-UHFFFAOYSA-N -1 1 314.309 0.414 20 0 DCADMM COc1nn(C)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001580150994 1165518723 /nfs/dbraw/zinc/51/87/23/1165518723.db2.gz FAKSQHDUVXEIFV-UHFFFAOYSA-N -1 1 314.309 0.185 20 0 DCADMM COc1nn(C)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001580150994 1165518735 /nfs/dbraw/zinc/51/87/35/1165518735.db2.gz FAKSQHDUVXEIFV-UHFFFAOYSA-N -1 1 314.309 0.185 20 0 DCADMM CS[C@H](C)C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001580191739 1165533509 /nfs/dbraw/zinc/53/35/09/1165533509.db2.gz FCVPBJHRWRHWHR-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001580191739 1165533515 /nfs/dbraw/zinc/53/35/15/1165533515.db2.gz FCVPBJHRWRHWHR-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001580248518 1165547666 /nfs/dbraw/zinc/54/76/66/1165547666.db2.gz KTMPCYNGBDMWOF-GUBZILKMSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001580248518 1165547671 /nfs/dbraw/zinc/54/76/71/1165547671.db2.gz KTMPCYNGBDMWOF-GUBZILKMSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CC1(F)F ZINC001580413775 1165596378 /nfs/dbraw/zinc/59/63/78/1165596378.db2.gz XRHOHFXLCBZOPF-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CC1(F)F ZINC001580413775 1165596387 /nfs/dbraw/zinc/59/63/87/1165596387.db2.gz XRHOHFXLCBZOPF-RQJHMYQMSA-N -1 1 324.295 0.229 20 0 DCADMM Nc1ccc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)nc1 ZINC001580440096 1165603664 /nfs/dbraw/zinc/60/36/64/1165603664.db2.gz PKUPJPAQMLTPIX-UHFFFAOYSA-N -1 1 301.306 0.162 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001580450163 1165605537 /nfs/dbraw/zinc/60/55/37/1165605537.db2.gz ZCZIOJUXNWEMSN-GUBZILKMSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001580450163 1165605542 /nfs/dbraw/zinc/60/55/42/1165605542.db2.gz ZCZIOJUXNWEMSN-GUBZILKMSA-N -1 1 314.353 0.326 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)Cc1c[nH]cn1 ZINC001580595817 1165648449 /nfs/dbraw/zinc/64/84/49/1165648449.db2.gz BSJWOIRGBFQFHY-UHFFFAOYSA-N -1 1 314.309 0.271 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@](C)(O)C1 ZINC001580598236 1165649211 /nfs/dbraw/zinc/64/92/11/1165649211.db2.gz TZOGHBSZTXRJGO-AWEZNQCLSA-N -1 1 318.337 0.263 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@@H](C)[C@@H]1CO ZINC001580597559 1165650081 /nfs/dbraw/zinc/65/00/81/1165650081.db2.gz JFVABSMHSYFTKP-XCBNKYQSSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@H](C)[C@H]1CO ZINC001580597557 1165650401 /nfs/dbraw/zinc/65/04/01/1165650401.db2.gz JFVABSMHSYFTKP-OIBJUYFYSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C1CC1)C1COC1 ZINC001580596498 1165650506 /nfs/dbraw/zinc/65/05/06/1165650506.db2.gz VYDHOZRFQOTKIR-UHFFFAOYSA-N -1 1 316.321 0.279 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H]1CCC=CO1 ZINC001580603401 1165652492 /nfs/dbraw/zinc/65/24/92/1165652492.db2.gz LSJHRSYUIZINBS-SECBINFHSA-N -1 1 316.321 0.698 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)C3CC3)C2)n1 ZINC001580710660 1165693674 /nfs/dbraw/zinc/69/36/74/1165693674.db2.gz JUZPCKQBUTWQTE-JTQLQIEISA-N -1 1 314.353 0.388 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)C3CC3)C2)n1 ZINC001580710660 1165693679 /nfs/dbraw/zinc/69/36/79/1165693679.db2.gz JUZPCKQBUTWQTE-JTQLQIEISA-N -1 1 314.353 0.388 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(CC(F)F)C2)n1 ZINC001580739345 1165707026 /nfs/dbraw/zinc/70/70/26/1165707026.db2.gz LMRLCBFPGVLBRF-VIFPVBQESA-N -1 1 324.339 0.964 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(CC(F)F)C2)n1 ZINC001580739345 1165707036 /nfs/dbraw/zinc/70/70/36/1165707036.db2.gz LMRLCBFPGVLBRF-VIFPVBQESA-N -1 1 324.339 0.964 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCN(C)C(=O)C2(C)CC2)n1 ZINC001580741927 1165707276 /nfs/dbraw/zinc/70/72/76/1165707276.db2.gz UMKRHYBUOLTKAA-UHFFFAOYSA-N -1 1 316.369 0.636 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCN(C)C(=O)C2(C)CC2)n1 ZINC001580741927 1165707284 /nfs/dbraw/zinc/70/72/84/1165707284.db2.gz UMKRHYBUOLTKAA-UHFFFAOYSA-N -1 1 316.369 0.636 20 0 DCADMM Cc1cc(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)no1 ZINC001580925881 1165758369 /nfs/dbraw/zinc/75/83/69/1165758369.db2.gz ULOIOPJXWFCJDW-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM Cc1cncc(S(=O)(=O)Oc2cccnc2-c2nn[n-]n2)c1 ZINC001581328985 1165813078 /nfs/dbraw/zinc/81/30/78/1165813078.db2.gz FRMXZHIVPUWDEW-UHFFFAOYSA-N -1 1 318.318 0.733 20 0 DCADMM Cc1[nH]nc(NC(=O)Cc2ccc(O)c(F)c2)c1-c1nn[n-]n1 ZINC001581402673 1165821603 /nfs/dbraw/zinc/82/16/03/1165821603.db2.gz DWDYGJPQRWFWQN-UHFFFAOYSA-N -1 1 317.284 0.924 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2cccc(C(N)=O)c2)n1 ZINC001581410884 1165823243 /nfs/dbraw/zinc/82/32/43/1165823243.db2.gz ASCMKWDYOAFZCQ-UHFFFAOYSA-N -1 1 324.348 0.700 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2cccc(C(N)=O)c2)n1 ZINC001581410884 1165823247 /nfs/dbraw/zinc/82/32/47/1165823247.db2.gz ASCMKWDYOAFZCQ-UHFFFAOYSA-N -1 1 324.348 0.700 20 0 DCADMM Cc1nc(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC001581449244 1165828882 /nfs/dbraw/zinc/82/88/82/1165828882.db2.gz MNESZGSGMCNFGF-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1nc(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC001581449244 1165828885 /nfs/dbraw/zinc/82/88/85/1165828885.db2.gz MNESZGSGMCNFGF-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1nc(CNc2ccc(-c3nnn[n-]3)nn2)sc1C(N)=O ZINC001581454334 1165829936 /nfs/dbraw/zinc/82/99/36/1165829936.db2.gz VBQSEXAQTGLKRL-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cc1nc(CNc2ccc(-c3nn[n-]n3)nn2)sc1C(N)=O ZINC001581454334 1165829941 /nfs/dbraw/zinc/82/99/41/1165829941.db2.gz VBQSEXAQTGLKRL-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cn1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1=O ZINC001581793156 1165878628 /nfs/dbraw/zinc/87/86/28/1165878628.db2.gz CWDCSGRIAVBSPN-UHFFFAOYSA-N -1 1 316.346 0.557 20 0 DCADMM FC(F)(F)c1noc(CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001581851494 1165886928 /nfs/dbraw/zinc/88/69/28/1165886928.db2.gz ZJSRJVZJLFQKQD-UHFFFAOYSA-N -1 1 313.203 0.093 20 0 DCADMM NC(=O)C[C@H]1CCCN(C(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001581891603 1165907926 /nfs/dbraw/zinc/90/79/26/1165907926.db2.gz OFYCFDGGALPLEI-MRVPVSSYSA-N -1 1 320.378 0.656 20 0 DCADMM O=C(C1CCC1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001581933777 1165916725 /nfs/dbraw/zinc/91/67/25/1165916725.db2.gz IDRHIXKVQLPRCS-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CCC1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001581933777 1165916731 /nfs/dbraw/zinc/91/67/31/1165916731.db2.gz IDRHIXKVQLPRCS-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001581965912 1165926248 /nfs/dbraw/zinc/92/62/48/1165926248.db2.gz QKJHJDZCSRXWKW-QMMMGPOBSA-N -1 1 324.304 0.654 20 0 DCADMM O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001581965912 1165926254 /nfs/dbraw/zinc/92/62/54/1165926254.db2.gz QKJHJDZCSRXWKW-QMMMGPOBSA-N -1 1 324.304 0.654 20 0 DCADMM O=C(CC1CC1)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001581970879 1165927612 /nfs/dbraw/zinc/92/76/12/1165927612.db2.gz UCLNZDQNTWTLPZ-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(CCCF)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001582046721 1165944075 /nfs/dbraw/zinc/94/40/75/1165944075.db2.gz VZGZNUWVYWOHEN-DTORHVGOSA-N -1 1 320.332 0.466 20 0 DCADMM O=C(CCCF)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001582046721 1165944080 /nfs/dbraw/zinc/94/40/80/1165944080.db2.gz VZGZNUWVYWOHEN-DTORHVGOSA-N -1 1 320.332 0.466 20 0 DCADMM O=C(CCc1cccnc1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001582063316 1165946929 /nfs/dbraw/zinc/94/69/29/1165946929.db2.gz HJBURNYECOFQPA-UHFFFAOYSA-N -1 1 315.362 0.967 20 0 DCADMM O=C(CCc1cccnc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001582063316 1165946936 /nfs/dbraw/zinc/94/69/36/1165946936.db2.gz HJBURNYECOFQPA-UHFFFAOYSA-N -1 1 315.362 0.967 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)c1cc(F)ccc1F ZINC001582199568 1165981304 /nfs/dbraw/zinc/98/13/04/1165981304.db2.gz PNUXSOMLFXDPAI-UHFFFAOYSA-N -1 1 318.243 0.585 20 0 DCADMM O=C(NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)C1CC1 ZINC001582361745 1166005341 /nfs/dbraw/zinc/00/53/41/1166005341.db2.gz GOLKJFCMECULTD-SNVBAGLBSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)C1CC1 ZINC001582361745 1166005347 /nfs/dbraw/zinc/00/53/47/1166005347.db2.gz GOLKJFCMECULTD-SNVBAGLBSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H](O)c1ccco1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582380582 1166008283 /nfs/dbraw/zinc/00/82/83/1166008283.db2.gz BVKRAVJEOLVKAC-VIFPVBQESA-N -1 1 315.293 0.710 20 0 DCADMM O=C(NC[C@H](O)c1ccco1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582380582 1166008289 /nfs/dbraw/zinc/00/82/89/1166008289.db2.gz BVKRAVJEOLVKAC-VIFPVBQESA-N -1 1 315.293 0.710 20 0 DCADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001582537389 1166034667 /nfs/dbraw/zinc/03/46/67/1166034667.db2.gz SINAKFSUHHWHLY-WAAGHKOSSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001582537389 1166034677 /nfs/dbraw/zinc/03/46/77/1166034677.db2.gz SINAKFSUHHWHLY-WAAGHKOSSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001582540892 1166035235 /nfs/dbraw/zinc/03/52/35/1166035235.db2.gz PREYREDUEYYFJN-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001582540892 1166035244 /nfs/dbraw/zinc/03/52/44/1166035244.db2.gz PREYREDUEYYFJN-CZMCAQCFSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc(F)c[nH]c1=O ZINC001582554392 1166042023 /nfs/dbraw/zinc/04/20/23/1166042023.db2.gz GSRKBEWNOVXAQT-UHFFFAOYSA-N -1 1 315.268 0.431 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc(F)c[nH]c1=O ZINC001582554392 1166042029 /nfs/dbraw/zinc/04/20/29/1166042029.db2.gz GSRKBEWNOVXAQT-UHFFFAOYSA-N -1 1 315.268 0.431 20 0 DCADMM O=C(NCc1nc2c([nH]1)CCCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001582560880 1166046674 /nfs/dbraw/zinc/04/66/74/1166046674.db2.gz KLWFQEFQDNFSBP-UHFFFAOYSA-N -1 1 324.348 0.794 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cnn(-c2cccnc2)c1 ZINC001582632113 1166057536 /nfs/dbraw/zinc/05/75/36/1166057536.db2.gz WGXXTYYDPZAJFQ-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cnn(-c2cccnc2)c1 ZINC001582632113 1166057541 /nfs/dbraw/zinc/05/75/41/1166057541.db2.gz WGXXTYYDPZAJFQ-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1CCn2ccnc21 ZINC001582645284 1166059091 /nfs/dbraw/zinc/05/90/91/1166059091.db2.gz QSZOWQSICSIPFH-VIFPVBQESA-N -1 1 311.309 0.725 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1CCn2ccnc21 ZINC001582645284 1166059098 /nfs/dbraw/zinc/05/90/98/1166059098.db2.gz QSZOWQSICSIPFH-VIFPVBQESA-N -1 1 311.309 0.725 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc2nsnc2c1 ZINC001582650655 1166060528 /nfs/dbraw/zinc/06/05/28/1166060528.db2.gz ZQKHSBUOOVNOFR-UHFFFAOYSA-N -1 1 313.306 0.847 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C[C@@H](O)CC(F)(F)C1 ZINC001582744642 1166074802 /nfs/dbraw/zinc/07/48/02/1166074802.db2.gz AEKMZHWKFWWVAN-ZETCQYMHSA-N -1 1 315.305 0.770 20 0 DCADMM O=S1(=O)CCN(Cc2ccc(-c3nnn[n-]3)o2)[C@H]2CCC[C@@H]21 ZINC001582802305 1166086896 /nfs/dbraw/zinc/08/68/96/1166086896.db2.gz OPSHQTCOCRWAGT-JQWIXIFHSA-N -1 1 323.378 0.611 20 0 DCADMM O=S1(=O)CCN(Cc2ccc(-c3nn[n-]n3)o2)[C@H]2CCC[C@@H]21 ZINC001582802305 1166086898 /nfs/dbraw/zinc/08/68/98/1166086898.db2.gz OPSHQTCOCRWAGT-JQWIXIFHSA-N -1 1 323.378 0.611 20 0 DCADMM OCC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001582811797 1166092376 /nfs/dbraw/zinc/09/23/76/1166092376.db2.gz FAEMCQDSPMRLLR-LLVKDONJSA-N -1 1 315.312 0.753 20 0 DCADMM O=C(NC/C=C/CNC(=O)c1ncccc1[O-])c1cncs1 ZINC001583110444 1166204629 /nfs/dbraw/zinc/20/46/29/1166204629.db2.gz VSILOEPDZYHEJS-OWOJBTEDSA-N -1 1 318.358 0.960 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)NCCCc2c[nH][nH]c2=O)c1 ZINC001585938578 1166471337 /nfs/dbraw/zinc/47/13/37/1166471337.db2.gz ZYIJERPJNOZVRB-JTQLQIEISA-N -1 1 303.318 0.755 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccn2nccc2n1 ZINC001586105290 1166480092 /nfs/dbraw/zinc/48/00/92/1166480092.db2.gz MHQFAPDAWNERRJ-ZDUSSCGKSA-N -1 1 320.316 0.762 20 0 DCADMM O=C(CCc1nn[n-]n1)NCCc1cnn(-c2ccccc2)c1 ZINC001587825162 1166512297 /nfs/dbraw/zinc/51/22/97/1166512297.db2.gz QFYKFIHBNZNUAM-UHFFFAOYSA-N -1 1 311.349 0.677 20 0 DCADMM CC(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588819269 1166597647 /nfs/dbraw/zinc/59/76/47/1166597647.db2.gz XPKVSOMPCBZFAK-JTQLQIEISA-N -1 1 302.342 0.388 20 0 DCADMM CC(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588819269 1166597651 /nfs/dbraw/zinc/59/76/51/1166597651.db2.gz XPKVSOMPCBZFAK-JTQLQIEISA-N -1 1 302.342 0.388 20 0 DCADMM CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588819265 1166598610 /nfs/dbraw/zinc/59/86/10/1166598610.db2.gz XIHOVCQKGDFBTH-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588819265 1166598616 /nfs/dbraw/zinc/59/86/16/1166598616.db2.gz XIHOVCQKGDFBTH-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N[C@@H](C)CCCCNc1nccnc1-c1nnn[n-]1 ZINC001588836005 1166602593 /nfs/dbraw/zinc/60/25/93/1166602593.db2.gz XYGVGPXTYWZRFG-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CC(=O)N[C@@H](C)CCCCNc1nccnc1-c1nn[n-]n1 ZINC001588836005 1166602602 /nfs/dbraw/zinc/60/26/02/1166602602.db2.gz XYGVGPXTYWZRFG-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CC(=O)N[C@@H]1CC[C@@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588839291 1166603832 /nfs/dbraw/zinc/60/38/32/1166603832.db2.gz BPSRPZSWVQWNHE-PSASIEDQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CC[C@@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588839291 1166603839 /nfs/dbraw/zinc/60/38/39/1166603839.db2.gz BPSRPZSWVQWNHE-PSASIEDQSA-N -1 1 302.342 0.150 20 0 DCADMM C[C@H](C(=O)N1CCC2(CCC2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951997 1166622611 /nfs/dbraw/zinc/62/26/11/1166622611.db2.gz MCHCEBKWVLSSRW-SNVBAGLBSA-N -1 1 316.369 0.812 20 0 DCADMM C[C@@H](C(=O)NC1(C)C(C)(C)C1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588970750 1166624949 /nfs/dbraw/zinc/62/49/49/1166624949.db2.gz ONJSFXQNKIODES-QMMMGPOBSA-N -1 1 318.385 0.960 20 0 DCADMM C[C@@H](C(=O)NCCNc1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001588992535 1166627350 /nfs/dbraw/zinc/62/73/50/1166627350.db2.gz UYMYJLBZCWPSPN-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](C(=O)NCCNc1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001588992535 1166627354 /nfs/dbraw/zinc/62/73/54/1166627354.db2.gz UYMYJLBZCWPSPN-SECBINFHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H](C(=O)OCC(=O)c1ccoc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028228 1166631007 /nfs/dbraw/zinc/63/10/07/1166631007.db2.gz UREKLWPJITVQIJ-ZETCQYMHSA-N -1 1 317.265 0.038 20 0 DCADMM CC(C)(C)C(=O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589075643 1166633235 /nfs/dbraw/zinc/63/32/35/1166633235.db2.gz VZKPJXGNTIVZJT-UHFFFAOYSA-N -1 1 302.338 0.536 20 0 DCADMM CC(C)(C)C(=O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589075643 1166633242 /nfs/dbraw/zinc/63/32/42/1166633242.db2.gz VZKPJXGNTIVZJT-UHFFFAOYSA-N -1 1 302.338 0.536 20 0 DCADMM CC(C)(C)OC(=O)CCCn1cnc(-c2nn[n-]n2)cc1=O ZINC001589151860 1166638763 /nfs/dbraw/zinc/63/87/63/1166638763.db2.gz VFQYBMRQUXNDEL-UHFFFAOYSA-N -1 1 306.326 0.545 20 0 DCADMM CC(C)(C)c1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)on1 ZINC001589214812 1166639455 /nfs/dbraw/zinc/63/94/55/1166639455.db2.gz CJSYOUWKYRBXGD-UHFFFAOYSA-N -1 1 317.313 0.382 20 0 DCADMM CC(C)(C)[S@@](=O)CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589207532 1166639952 /nfs/dbraw/zinc/63/99/52/1166639952.db2.gz GAHOFKAELWUWON-QFIPXVFZSA-N -1 1 322.394 0.539 20 0 DCADMM CC(C)(C)[S@@](=O)CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589207532 1166639957 /nfs/dbraw/zinc/63/99/57/1166639957.db2.gz GAHOFKAELWUWON-QFIPXVFZSA-N -1 1 322.394 0.539 20 0 DCADMM CC(C)(CNc1cncc(-c2nnn[n-]2)n1)C1(O)CCOCC1 ZINC001589292488 1166645223 /nfs/dbraw/zinc/64/52/23/1166645223.db2.gz OUZHKYOACSUBJW-UHFFFAOYSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)(CNc1cncc(-c2nn[n-]n2)n1)C1(O)CCOCC1 ZINC001589292488 1166645228 /nfs/dbraw/zinc/64/52/28/1166645228.db2.gz OUZHKYOACSUBJW-UHFFFAOYSA-N -1 1 319.369 0.636 20 0 DCADMM CC(C)C(=O)NCCN(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589406086 1166657158 /nfs/dbraw/zinc/65/71/58/1166657158.db2.gz OMNZSGVYQOUEKT-UHFFFAOYSA-N -1 1 317.353 0.106 20 0 DCADMM CC(C)C(=O)NCCN(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589406086 1166657162 /nfs/dbraw/zinc/65/71/62/1166657162.db2.gz OMNZSGVYQOUEKT-UHFFFAOYSA-N -1 1 317.353 0.106 20 0 DCADMM CC(C)[C@](C)(O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589429230 1166659631 /nfs/dbraw/zinc/65/96/31/1166659631.db2.gz QUJPZUXDKAZDHE-CQSZACIVSA-N -1 1 304.354 0.327 20 0 DCADMM CC(C)[C@](C)(O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589429230 1166659637 /nfs/dbraw/zinc/65/96/37/1166659637.db2.gz QUJPZUXDKAZDHE-CQSZACIVSA-N -1 1 304.354 0.327 20 0 DCADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ncon1 ZINC001589471350 1166662277 /nfs/dbraw/zinc/66/22/77/1166662277.db2.gz CCXZOQOMBNOWMG-SECBINFHSA-N -1 1 303.282 0.970 20 0 DCADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ncon1 ZINC001589471350 1166662278 /nfs/dbraw/zinc/66/22/78/1166662278.db2.gz CCXZOQOMBNOWMG-SECBINFHSA-N -1 1 303.282 0.970 20 0 DCADMM CC(C)[C@@]1(CO)CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001589493843 1166663443 /nfs/dbraw/zinc/66/34/43/1166663443.db2.gz HXYOPTHOXKXYGR-AWEZNQCLSA-N -1 1 305.338 0.940 20 0 DCADMM CC(C)[C@@]1(CO)CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001589493843 1166663446 /nfs/dbraw/zinc/66/34/46/1166663446.db2.gz HXYOPTHOXKXYGR-AWEZNQCLSA-N -1 1 305.338 0.940 20 0 DCADMM CC(C)Cc1cc(NCCn2cnc(-c3nn[n-]n3)n2)ncn1 ZINC001589661435 1166671057 /nfs/dbraw/zinc/67/10/57/1166671057.db2.gz WBDWUGTTWADKIW-UHFFFAOYSA-N -1 1 314.357 0.559 20 0 DCADMM CC(C)OC[C@@H](O)COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589746621 1166680326 /nfs/dbraw/zinc/68/03/26/1166680326.db2.gz XQKUHTSVEWZUGN-SECBINFHSA-N -1 1 307.310 0.204 20 0 DCADMM CC(C)OC[C@@H](O)COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589746621 1166680331 /nfs/dbraw/zinc/68/03/31/1166680331.db2.gz XQKUHTSVEWZUGN-SECBINFHSA-N -1 1 307.310 0.204 20 0 DCADMM CC(C)OC(=O)c1cn(Cc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001589736259 1166680473 /nfs/dbraw/zinc/68/04/73/1166680473.db2.gz UTWDHJUNYHRLTO-UHFFFAOYSA-N -1 1 320.338 0.528 20 0 DCADMM CC(C)OC(=O)c1cn(Cc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001589736259 1166680479 /nfs/dbraw/zinc/68/04/79/1166680479.db2.gz UTWDHJUNYHRLTO-UHFFFAOYSA-N -1 1 320.338 0.528 20 0 DCADMM CC(C)OCCCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589747881 1166680833 /nfs/dbraw/zinc/68/08/33/1166680833.db2.gz HZOXCXJKXLHHHU-UHFFFAOYSA-N -1 1 304.354 0.736 20 0 DCADMM CC(C)OCCCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589747881 1166680838 /nfs/dbraw/zinc/68/08/38/1166680838.db2.gz HZOXCXJKXLHHHU-UHFFFAOYSA-N -1 1 304.354 0.736 20 0 DCADMM C[C@H](C[C@H]1CCOC1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589803829 1166689852 /nfs/dbraw/zinc/68/98/52/1166689852.db2.gz UMRSEBPLWYVARW-NXEZZACHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](C[C@H]1CCOC1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589803829 1166689857 /nfs/dbraw/zinc/68/98/57/1166689857.db2.gz UMRSEBPLWYVARW-NXEZZACHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](C[C@H](O)c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589802688 1166691450 /nfs/dbraw/zinc/69/14/50/1166691450.db2.gz 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/nfs/dbraw/zinc/77/13/52/1166771352.db2.gz YRRZVWDMGPTDNG-SNVBAGLBSA-N -1 1 318.385 0.791 20 0 DCADMM CC1([C@H]2CCCN(c3ncncc3-c3nn[n-]n3)C2)OCCO1 ZINC001590119402 1166781683 /nfs/dbraw/zinc/78/16/83/1166781683.db2.gz BTEWHMLEPXOGHB-JTQLQIEISA-N -1 1 317.353 0.636 20 0 DCADMM CC1(C)O[C@@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2O1 ZINC001590118973 1166781875 /nfs/dbraw/zinc/78/18/75/1166781875.db2.gz VVUXHDCPZDNBGW-PSVAKVPMSA-N -1 1 303.326 0.173 20 0 DCADMM C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590166558 1166794846 /nfs/dbraw/zinc/79/48/46/1166794846.db2.gz DEUAJHBMTFYYLH-GXSJLCMTSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590166558 1166794850 /nfs/dbraw/zinc/79/48/50/1166794850.db2.gz DEUAJHBMTFYYLH-GXSJLCMTSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1[C@H](CO)CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590166701 1166796218 /nfs/dbraw/zinc/79/62/18/1166796218.db2.gz GLZQGFSROFLFSV-ZJUUUORDSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1[C@H](CO)CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590166701 1166796227 /nfs/dbraw/zinc/79/62/27/1166796227.db2.gz GLZQGFSROFLFSV-ZJUUUORDSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@H]1[C@H](CO)CCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590166561 1166796367 /nfs/dbraw/zinc/79/63/67/1166796367.db2.gz DEUAJHBMTFYYLH-ONGXEEELSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@H]1[C@H](CO)CCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590166561 1166796374 /nfs/dbraw/zinc/79/63/74/1166796374.db2.gz DEUAJHBMTFYYLH-ONGXEEELSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1[C@@H](CO)CCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590168281 1166797860 /nfs/dbraw/zinc/79/78/60/1166797860.db2.gz KHVQHSPYNQUHEL-RKDXNWHRSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H]1[C@@H](CO)CCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590168281 1166797862 /nfs/dbraw/zinc/79/78/62/1166797862.db2.gz KHVQHSPYNQUHEL-RKDXNWHRSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)O1 ZINC001590190775 1166804026 /nfs/dbraw/zinc/80/40/26/1166804026.db2.gz GHTVMDWZEJUBNB-BRDIYROLSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)O1 ZINC001590190775 1166804036 /nfs/dbraw/zinc/80/40/36/1166804036.db2.gz GHTVMDWZEJUBNB-BRDIYROLSA-N -1 1 308.367 0.753 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CS1 ZINC001590200959 1166809449 /nfs/dbraw/zinc/80/94/49/1166809449.db2.gz SSTUVXVZMZLMOL-RQJHMYQMSA-N -1 1 308.371 0.616 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CS1 ZINC001590200959 1166809455 /nfs/dbraw/zinc/80/94/55/1166809455.db2.gz SSTUVXVZMZLMOL-RQJHMYQMSA-N -1 1 308.371 0.616 20 0 DCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCS1(=O)=O ZINC001590211078 1166814361 /nfs/dbraw/zinc/81/43/61/1166814361.db2.gz HOWPQGSIRVLBRK-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCS1(=O)=O ZINC001590211078 1166814368 /nfs/dbraw/zinc/81/43/68/1166814368.db2.gz HOWPQGSIRVLBRK-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590213453 1166816169 /nfs/dbraw/zinc/81/61/69/1166816169.db2.gz APWLQZPVGOXBBD-JGVFFNPUSA-N -1 1 304.358 0.219 20 0 DCADMM C[C@H]1C[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590213453 1166816179 /nfs/dbraw/zinc/81/61/79/1166816179.db2.gz APWLQZPVGOXBBD-JGVFFNPUSA-N -1 1 304.358 0.219 20 0 DCADMM C[C@@H]1CC=C(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590218191 1166818142 /nfs/dbraw/zinc/81/81/42/1166818142.db2.gz HPGYTEWRVLPGEF-SECBINFHSA-N -1 1 302.342 0.321 20 0 DCADMM C[C@H]1CCC[C@@H](Cn2cnc3ncc(-c4nn[n-]n4)c(=O)n32)C1 ZINC001590240152 1166823408 /nfs/dbraw/zinc/82/34/08/1166823408.db2.gz CWSWUOVWMCMFCK-VHSXEESVSA-N -1 1 314.353 0.897 20 0 DCADMM C[C@@H]1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001590243348 1166827017 /nfs/dbraw/zinc/82/70/17/1166827017.db2.gz KILUPHCANFOPBE-OPRDCNLKSA-N -1 1 304.358 0.399 20 0 DCADMM C[C@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H]1CCO ZINC001590259908 1166828291 /nfs/dbraw/zinc/82/82/91/1166828291.db2.gz CVHOATHKLVEBPM-GXFFZTMASA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H]1CCO ZINC001590259908 1166828297 /nfs/dbraw/zinc/82/82/97/1166828297.db2.gz CVHOATHKLVEBPM-GXFFZTMASA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001590263725 1166829045 /nfs/dbraw/zinc/82/90/45/1166829045.db2.gz KPUYNJXZTYQPAP-SKDRFNHKSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001590263725 1166829053 /nfs/dbraw/zinc/82/90/53/1166829053.db2.gz KPUYNJXZTYQPAP-SKDRFNHKSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590331345 1166868161 /nfs/dbraw/zinc/86/81/61/1166868161.db2.gz MDMLRNLHVVBMPL-XLPZGREQSA-N -1 1 320.378 0.666 20 0 DCADMM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590331345 1166868163 /nfs/dbraw/zinc/86/81/63/1166868163.db2.gz MDMLRNLHVVBMPL-XLPZGREQSA-N -1 1 320.378 0.666 20 0 DCADMM C[C@H](C(=O)N1CCS[C@@H](C)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590339348 1166876450 /nfs/dbraw/zinc/87/64/50/1166876450.db2.gz XKZXBHNGBCLZFI-YIZRAAEISA-N -1 1 322.398 0.372 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001590349193 1166878850 /nfs/dbraw/zinc/87/88/50/1166878850.db2.gz JHUWFZBRIFNKFP-OTOXVQDCSA-N -1 1 302.342 0.540 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001590349193 1166878856 /nfs/dbraw/zinc/87/88/56/1166878856.db2.gz JHUWFZBRIFNKFP-OTOXVQDCSA-N -1 1 302.342 0.540 20 0 DCADMM C/C=C(/C)C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001590345990 1166880236 /nfs/dbraw/zinc/88/02/36/1166880236.db2.gz CEVJLXIGAYELMB-OQFOIZHKSA-N -1 1 302.342 0.541 20 0 DCADMM C/C=C(/C)C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001590345990 1166880241 /nfs/dbraw/zinc/88/02/41/1166880241.db2.gz CEVJLXIGAYELMB-OQFOIZHKSA-N -1 1 302.342 0.541 20 0 DCADMM C/C=C\C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001590352231 1166882929 /nfs/dbraw/zinc/88/29/29/1166882929.db2.gz JZLXXXWJLZXYFD-ARJAWSKDSA-N -1 1 319.394 0.856 20 0 DCADMM CCC(=O)N[C@@H](C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590363752 1166886179 /nfs/dbraw/zinc/88/61/79/1166886179.db2.gz TZIQGMIKGOMIFP-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCC(=O)N[C@@H](C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590363752 1166886182 /nfs/dbraw/zinc/88/61/82/1166886182.db2.gz TZIQGMIKGOMIFP-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCC(=O)N[C@H](C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590363745 1166887311 /nfs/dbraw/zinc/88/73/11/1166887311.db2.gz SLWQACAYJOHAPV-MRVPVSSYSA-N -1 1 304.358 0.682 20 0 DCADMM CCC(=O)N[C@H](C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590363745 1166887314 /nfs/dbraw/zinc/88/73/14/1166887314.db2.gz SLWQACAYJOHAPV-MRVPVSSYSA-N -1 1 304.358 0.682 20 0 DCADMM CCC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001590364293 1166889436 /nfs/dbraw/zinc/88/94/36/1166889436.db2.gz TWQWVFYNVIQLHM-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CCC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001590364293 1166889439 /nfs/dbraw/zinc/88/94/39/1166889439.db2.gz TWQWVFYNVIQLHM-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CCC(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590366165 1166889839 /nfs/dbraw/zinc/88/98/39/1166889839.db2.gz HKIKYWSQIPRZFI-QMMMGPOBSA-N -1 1 304.358 0.682 20 0 DCADMM CCC(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590366165 1166889845 /nfs/dbraw/zinc/88/98/45/1166889845.db2.gz HKIKYWSQIPRZFI-QMMMGPOBSA-N -1 1 304.358 0.682 20 0 DCADMM CC/C(C)=C\C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590387476 1166894155 /nfs/dbraw/zinc/89/41/55/1166894155.db2.gz BVDXIJVQPIJHNE-YFHOEESVSA-N -1 1 316.369 0.565 20 0 DCADMM CC/C(C)=C\C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590387476 1166894160 /nfs/dbraw/zinc/89/41/60/1166894160.db2.gz BVDXIJVQPIJHNE-YFHOEESVSA-N -1 1 316.369 0.565 20 0 DCADMM CC[C@](C)(CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)OC ZINC001590380590 1166895142 /nfs/dbraw/zinc/89/51/42/1166895142.db2.gz CTDXMJYWQRMAGM-CYBMUJFWSA-N -1 1 308.342 0.637 20 0 DCADMM CC[C@](C)(CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)OC ZINC001590380590 1166895148 /nfs/dbraw/zinc/89/51/48/1166895148.db2.gz CTDXMJYWQRMAGM-CYBMUJFWSA-N -1 1 308.342 0.637 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590391592 1166897054 /nfs/dbraw/zinc/89/70/54/1166897054.db2.gz WIDWKPZLHRKLCN-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590391592 1166897058 /nfs/dbraw/zinc/89/70/58/1166897058.db2.gz WIDWKPZLHRKLCN-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@H](C)[C@H](OC)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001590402730 1166897715 /nfs/dbraw/zinc/89/77/15/1166897715.db2.gz PFQOTFROEDXNBI-XVKPBYJWSA-N -1 1 307.358 0.908 20 0 DCADMM CC[C@H](C)[C@H](OC)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001590402730 1166897719 /nfs/dbraw/zinc/89/77/19/1166897719.db2.gz PFQOTFROEDXNBI-XVKPBYJWSA-N -1 1 307.358 0.908 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590400657 1166898376 /nfs/dbraw/zinc/89/83/76/1166898376.db2.gz SCMGAZYBRFFIGT-GZMMTYOYSA-N -1 1 318.337 0.579 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)OC ZINC001590400657 1166898378 /nfs/dbraw/zinc/89/83/78/1166898378.db2.gz SCMGAZYBRFFIGT-GZMMTYOYSA-N -1 1 318.337 0.579 20 0 DCADMM CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590412569 1166901124 /nfs/dbraw/zinc/90/11/24/1166901124.db2.gz LTGMDQDTAIPJNZ-IUCAKERBSA-N -1 1 318.337 0.722 20 0 DCADMM CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590412569 1166901132 /nfs/dbraw/zinc/90/11/32/1166901132.db2.gz LTGMDQDTAIPJNZ-IUCAKERBSA-N -1 1 318.337 0.722 20 0 DCADMM CCC(CC)(NC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)OC ZINC001590427940 1166902913 /nfs/dbraw/zinc/90/29/13/1166902913.db2.gz RQDGIZMWADYTHG-UHFFFAOYSA-N -1 1 307.310 0.921 20 0 DCADMM CCC(CC)(NC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)OC ZINC001590427940 1166902916 /nfs/dbraw/zinc/90/29/16/1166902916.db2.gz RQDGIZMWADYTHG-UHFFFAOYSA-N -1 1 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COC(=O)[C@H](CC(F)F)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591231999 1167168399 /nfs/dbraw/zinc/16/83/99/1167168399.db2.gz OWUMYIFJTPJLLR-LURJTMIESA-N -1 1 315.236 0.386 20 0 DCADMM COC(=O)[C@H](CC(F)F)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591231999 1167168403 /nfs/dbraw/zinc/16/84/03/1167168403.db2.gz OWUMYIFJTPJLLR-LURJTMIESA-N -1 1 315.236 0.386 20 0 DCADMM COC(=O)[C@H]1CSCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591253783 1167179473 /nfs/dbraw/zinc/17/94/73/1167179473.db2.gz MWEULHLVRVWFIJ-SSDOTTSWSA-N -1 1 323.334 0.190 20 0 DCADMM COC(=O)[C@H]1CSCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591253783 1167179475 /nfs/dbraw/zinc/17/94/75/1167179475.db2.gz MWEULHLVRVWFIJ-SSDOTTSWSA-N -1 1 323.334 0.190 20 0 DCADMM COC(=O)CCCCNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001591262000 1167184213 /nfs/dbraw/zinc/18/42/13/1167184213.db2.gz GJXZJYGCNYURPK-UHFFFAOYSA-N -1 1 322.325 0.165 20 0 DCADMM COC(=O)CCCCNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001591262000 1167184215 /nfs/dbraw/zinc/18/42/15/1167184215.db2.gz 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DCADMM COC(=O)[C@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001591282133 1167198471 /nfs/dbraw/zinc/19/84/71/1167198471.db2.gz DQIJPHMYDULJTP-BYPYZUCNSA-N -1 1 302.747 0.974 20 0 DCADMM COC(=O)[C@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591282170 1167199281 /nfs/dbraw/zinc/19/92/81/1167199281.db2.gz GFIDPTPFQDCQRZ-BYPYZUCNSA-N -1 1 302.747 0.974 20 0 DCADMM COC(=O)[C@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591282170 1167199287 /nfs/dbraw/zinc/19/92/87/1167199287.db2.gz GFIDPTPFQDCQRZ-BYPYZUCNSA-N -1 1 302.747 0.974 20 0 DCADMM COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591284089 1167199799 /nfs/dbraw/zinc/19/97/99/1167199799.db2.gz WOCTYPDTXRNUJT-NSHDSACASA-N -1 1 318.337 0.579 20 0 DCADMM COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591284089 1167199816 /nfs/dbraw/zinc/19/98/16/1167199816.db2.gz WOCTYPDTXRNUJT-NSHDSACASA-N -1 1 318.337 0.579 20 0 DCADMM COC(=O)c1cncc(Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC001591306003 1167207171 /nfs/dbraw/zinc/20/71/71/1167207171.db2.gz 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ZINC001591400253 1167269624 /nfs/dbraw/zinc/26/96/24/1167269624.db2.gz SDHPEZDRSKDOCL-SECBINFHSA-N -1 1 323.309 0.076 20 0 DCADMM COCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)C(=O)OC ZINC001591400253 1167269631 /nfs/dbraw/zinc/26/96/31/1167269631.db2.gz SDHPEZDRSKDOCL-SECBINFHSA-N -1 1 323.309 0.076 20 0 DCADMM COCCC1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001591400278 1167269947 /nfs/dbraw/zinc/26/99/47/1167269947.db2.gz BDBBAPHPBMZYQP-UHFFFAOYSA-N -1 1 308.367 0.756 20 0 DCADMM COCCC1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001591400278 1167269954 /nfs/dbraw/zinc/26/99/54/1167269954.db2.gz BDBBAPHPBMZYQP-UHFFFAOYSA-N -1 1 308.367 0.756 20 0 DCADMM COCCO[C@@H]1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001591433275 1167283436 /nfs/dbraw/zinc/28/34/36/1167283436.db2.gz CLKCLZFPALJRIH-LLVKDONJSA-N -1 1 304.354 0.812 20 0 DCADMM COCCO[C@@H]1CCN(c2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001591433275 1167283443 /nfs/dbraw/zinc/28/34/43/1167283443.db2.gz CLKCLZFPALJRIH-LLVKDONJSA-N -1 1 304.354 0.812 20 0 DCADMM COCCOCCN(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591438740 1167289845 /nfs/dbraw/zinc/28/98/45/1167289845.db2.gz AEDSWMLXPSBECC-UHFFFAOYSA-N -1 1 319.369 0.633 20 0 DCADMM COCCOCCN(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591438740 1167289853 /nfs/dbraw/zinc/28/98/53/1167289853.db2.gz AEDSWMLXPSBECC-UHFFFAOYSA-N -1 1 319.369 0.633 20 0 DCADMM CON1CCC(N(C)c2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001591468154 1167302420 /nfs/dbraw/zinc/30/24/20/1167302420.db2.gz IABVLLYBJWSHGJ-UHFFFAOYSA-N -1 1 304.358 0.427 20 0 DCADMM CON1CCC(N(C)c2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001591468154 1167302421 /nfs/dbraw/zinc/30/24/21/1167302421.db2.gz IABVLLYBJWSHGJ-UHFFFAOYSA-N -1 1 304.358 0.427 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(F)c1 ZINC001591574062 1167332794 /nfs/dbraw/zinc/33/27/94/1167332794.db2.gz SVVAFEMEZVQHAE-UHFFFAOYSA-N -1 1 303.257 0.990 20 0 DCADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(F)c1 ZINC001591574062 1167332796 /nfs/dbraw/zinc/33/27/96/1167332796.db2.gz SVVAFEMEZVQHAE-UHFFFAOYSA-N -1 1 303.257 0.990 20 0 DCADMM COc1cccnc1N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591655110 1167340473 /nfs/dbraw/zinc/34/04/73/1167340473.db2.gz VJPOHHAFRGKGFU-UHFFFAOYSA-N -1 1 311.305 0.942 20 0 DCADMM COc1cccnc1N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591655110 1167340479 /nfs/dbraw/zinc/34/04/79/1167340479.db2.gz VJPOHHAFRGKGFU-UHFFFAOYSA-N -1 1 311.305 0.942 20 0 DCADMM COc1ccc(OC)c([C@H](O)Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001591619464 1167341808 /nfs/dbraw/zinc/34/18/08/1167341808.db2.gz JXUQNUNFBWQMDQ-LLVKDONJSA-N -1 1 317.309 0.209 20 0 DCADMM COc1cn(C)nc1[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591656653 1167342990 /nfs/dbraw/zinc/34/29/90/1167342990.db2.gz FTQDYOYAGOFEHH-ZETCQYMHSA-N -1 1 315.341 0.880 20 0 DCADMM COc1cn(C)nc1[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591656653 1167342994 /nfs/dbraw/zinc/34/29/94/1167342994.db2.gz FTQDYOYAGOFEHH-ZETCQYMHSA-N -1 1 315.341 0.880 20 0 DCADMM COc1cnc(F)c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001591660288 1167343414 /nfs/dbraw/zinc/34/34/14/1167343414.db2.gz YXXZMVJNAJRSGF-UHFFFAOYSA-N -1 1 304.245 0.385 20 0 DCADMM COc1cnc(F)c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001591660288 1167343419 /nfs/dbraw/zinc/34/34/19/1167343419.db2.gz YXXZMVJNAJRSGF-UHFFFAOYSA-N -1 1 304.245 0.385 20 0 DCADMM COc1cn(C)nc1[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591656652 1167343930 /nfs/dbraw/zinc/34/39/30/1167343930.db2.gz FTQDYOYAGOFEHH-SSDOTTSWSA-N -1 1 315.341 0.880 20 0 DCADMM COc1cn(C)nc1[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591656652 1167343940 /nfs/dbraw/zinc/34/39/40/1167343940.db2.gz FTQDYOYAGOFEHH-SSDOTTSWSA-N -1 1 315.341 0.880 20 0 DCADMM CS(=O)(=O)[C@H]1CCN(Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001591673363 1167349500 /nfs/dbraw/zinc/34/95/00/1167349500.db2.gz RNRBFEFHSBYJAX-VIFPVBQESA-N -1 1 313.408 0.547 20 0 DCADMM C[S@](=O)[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001591682538 1167351306 /nfs/dbraw/zinc/35/13/06/1167351306.db2.gz IYQWFKKFCFEMLK-JYFUKTADSA-N -1 1 307.383 0.758 20 0 DCADMM C[S@](=O)[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001591682538 1167351310 /nfs/dbraw/zinc/35/13/10/1167351310.db2.gz IYQWFKKFCFEMLK-JYFUKTADSA-N -1 1 307.383 0.758 20 0 DCADMM CS[C@H](C)CNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001591688844 1167353420 /nfs/dbraw/zinc/35/34/20/1167353420.db2.gz BEFWMHKGQJMDSC-SSDOTTSWSA-N -1 1 314.396 0.292 20 0 DCADMM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1cnccn1 ZINC001591771405 1167371902 /nfs/dbraw/zinc/37/19/02/1167371902.db2.gz NTFWQUQMDKKBLF-VIFPVBQESA-N -1 1 311.305 0.899 20 0 DCADMM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1cnccn1 ZINC001591771405 1167371908 /nfs/dbraw/zinc/37/19/08/1167371908.db2.gz NTFWQUQMDKKBLF-VIFPVBQESA-N -1 1 311.305 0.899 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H](C)C2CCOCC2)nn1C ZINC001591798005 1167383290 /nfs/dbraw/zinc/38/32/90/1167383290.db2.gz CPGBGMGCLNMEGF-MRVPVSSYSA-N -1 1 319.369 0.910 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H](C)C2CCOCC2)nn1C ZINC001591798005 1167383298 /nfs/dbraw/zinc/38/32/98/1167383298.db2.gz CPGBGMGCLNMEGF-MRVPVSSYSA-N -1 1 319.369 0.910 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)nn1C ZINC001591798035 1167384156 /nfs/dbraw/zinc/38/41/56/1167384156.db2.gz DMGBEQITOKHVAI-VXNVDRBHSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)nn1C ZINC001591798035 1167384160 /nfs/dbraw/zinc/38/41/60/1167384160.db2.gz DMGBEQITOKHVAI-VXNVDRBHSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1c(CN(C)C(=O)c2coc(-c3nnn[n-]3)c2)cnn1C ZINC001591819468 1167388191 /nfs/dbraw/zinc/38/81/91/1167388191.db2.gz WAUJNQKKRDNYRH-UHFFFAOYSA-N -1 1 301.310 0.774 20 0 DCADMM Cc1c(CN(C)C(=O)c2coc(-c3nn[n-]n3)c2)cnn1C ZINC001591819468 1167388198 /nfs/dbraw/zinc/38/81/98/1167388198.db2.gz WAUJNQKKRDNYRH-UHFFFAOYSA-N -1 1 301.310 0.774 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NOCC(F)(F)F ZINC001591835678 1167390585 /nfs/dbraw/zinc/39/05/85/1167390585.db2.gz PNVJINCAEXPWHO-UHFFFAOYSA-N -1 1 318.215 0.499 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@]2(OC(C)C)CCOC2)c1 ZINC001591836705 1167390705 /nfs/dbraw/zinc/39/07/05/1167390705.db2.gz HZCUZXPPPOOOQL-OAHLLOKOSA-N -1 1 319.365 0.921 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H](C)CCO ZINC001591835840 1167390748 /nfs/dbraw/zinc/39/07/48/1167390748.db2.gz OFDHZJXOMOPXHI-ZETCQYMHSA-N -1 1 306.326 0.024 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCCCCCO ZINC001591836020 1167391071 /nfs/dbraw/zinc/39/10/71/1167391071.db2.gz UHXQCWDCXCOZFC-UHFFFAOYSA-N -1 1 320.353 0.558 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C)c3ncccc3C2)n1 ZINC001591888230 1167411321 /nfs/dbraw/zinc/41/13/21/1167411321.db2.gz UYCZLSVLRFNUQE-UHFFFAOYSA-N -1 1 323.364 0.817 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C)c3ncccc3C2)n1 ZINC001591888230 1167411338 /nfs/dbraw/zinc/41/13/38/1167411338.db2.gz UYCZLSVLRFNUQE-UHFFFAOYSA-N -1 1 323.364 0.817 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(O)(C(C)C)CC2)n1 ZINC001591887073 1167411682 /nfs/dbraw/zinc/41/16/82/1167411682.db2.gz YKMQEBPKRCOZII-UHFFFAOYSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(O)(C(C)C)CC2)n1 ZINC001591887073 1167411684 /nfs/dbraw/zinc/41/16/84/1167411684.db2.gz YKMQEBPKRCOZII-UHFFFAOYSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC[C@@H]2[C@@H]2CCCO2)n1 ZINC001591888918 1167411917 /nfs/dbraw/zinc/41/19/17/1167411917.db2.gz UGFZJMMJYVGSTK-NEPJUHHUSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC[C@@H]2[C@@H]2CCCO2)n1 ZINC001591888918 1167411922 /nfs/dbraw/zinc/41/19/22/1167411922.db2.gz UGFZJMMJYVGSTK-NEPJUHHUSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)c2ccoc2)n1 ZINC001591899939 1167416927 /nfs/dbraw/zinc/41/69/27/1167416927.db2.gz FERPOZAOHBAIRF-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)c2ccoc2)n1 ZINC001591899939 1167416930 /nfs/dbraw/zinc/41/69/30/1167416930.db2.gz FERPOZAOHBAIRF-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1cc(CC(=O)OCc2cccnc2-c2nnn[n-]2)no1 ZINC001591960936 1167426244 /nfs/dbraw/zinc/42/62/44/1167426244.db2.gz JTHZRJWUUNZTAC-UHFFFAOYSA-N -1 1 300.278 0.844 20 0 DCADMM Cc1cc(CC(=O)OCc2cccnc2-c2nn[n-]n2)no1 ZINC001591960936 1167426247 /nfs/dbraw/zinc/42/62/47/1167426247.db2.gz JTHZRJWUUNZTAC-UHFFFAOYSA-N -1 1 300.278 0.844 20 0 DCADMM Cc1cc(N2CCN(c3ncccn3)CC2)cc(-c2nnn[n-]2)n1 ZINC001592007035 1167432378 /nfs/dbraw/zinc/43/23/78/1167432378.db2.gz FAQOAPDLBFSXSH-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1cc(N2CCN(c3ncccn3)CC2)cc(-c2nn[n-]n2)n1 ZINC001592007035 1167432380 /nfs/dbraw/zinc/43/23/80/1167432380.db2.gz FAQOAPDLBFSXSH-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1cc(N2C[C@H](C)O[C@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001591999634 1167433099 /nfs/dbraw/zinc/43/30/99/1167433099.db2.gz RCYWFFGYFJJNSH-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(N2C[C@H](C)O[C@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001591999634 1167433101 /nfs/dbraw/zinc/43/31/01/1167433101.db2.gz RCYWFFGYFJJNSH-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(N[C@@H]2CCc3c(nnn3C)C2)cc(-c2nnn[n-]2)n1 ZINC001592038958 1167440611 /nfs/dbraw/zinc/44/06/11/1167440611.db2.gz GPWRCYAIHKKIID-SECBINFHSA-N -1 1 311.353 0.090 20 0 DCADMM Cc1cc(N[C@@H]2CCc3c(nnn3C)C2)cc(-c2nn[n-]n2)n1 ZINC001592038958 1167440616 /nfs/dbraw/zinc/44/06/16/1167440616.db2.gz GPWRCYAIHKKIID-SECBINFHSA-N -1 1 311.353 0.090 20 0 DCADMM Cc1cc(N[C@@H](C)c2nnnn2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001592033187 1167442628 /nfs/dbraw/zinc/44/26/28/1167442628.db2.gz CAEYHUZALGEXOE-QMMMGPOBSA-N -1 1 312.341 0.487 20 0 DCADMM Cc1cc(N[C@@H](C)c2nnnn2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001592033187 1167442631 /nfs/dbraw/zinc/44/26/31/1167442631.db2.gz CAEYHUZALGEXOE-QMMMGPOBSA-N -1 1 312.341 0.487 20 0 DCADMM Cc1cc(NC[C@H](CO)[C@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592042027 1167443837 /nfs/dbraw/zinc/44/38/37/1167443837.db2.gz SNCYCHABCYVKJE-WDEREUQCSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(NC[C@H](CO)[C@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592042027 1167443840 /nfs/dbraw/zinc/44/38/40/1167443840.db2.gz SNCYCHABCYVKJE-WDEREUQCSA-N -1 1 304.354 0.627 20 0 DCADMM Cc1cc(NCC[C@H]2CC(=O)N(C)C2)cc(-c2nnn[n-]2)n1 ZINC001592046128 1167444993 /nfs/dbraw/zinc/44/49/93/1167444993.db2.gz PAZJOJMQVWQQMB-JTQLQIEISA-N -1 1 301.354 0.850 20 0 DCADMM Cc1cc(NCC[C@H]2CC(=O)N(C)C2)cc(-c2nn[n-]n2)n1 ZINC001592046128 1167444999 /nfs/dbraw/zinc/44/49/99/1167444999.db2.gz PAZJOJMQVWQQMB-JTQLQIEISA-N -1 1 301.354 0.850 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001592114404 1167458185 /nfs/dbraw/zinc/45/81/85/1167458185.db2.gz QVIYSQFTPWRJKD-VIFPVBQESA-N -1 1 301.310 0.211 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001592114404 1167458189 /nfs/dbraw/zinc/45/81/89/1167458189.db2.gz QVIYSQFTPWRJKD-VIFPVBQESA-N -1 1 301.310 0.211 20 0 DCADMM Cc1ccc(CN(CCO)c2cncc(-c3nnn[n-]3)n2)o1 ZINC001592152752 1167462686 /nfs/dbraw/zinc/46/26/86/1167462686.db2.gz GMQAUWIUISGDPH-UHFFFAOYSA-N -1 1 301.310 0.557 20 0 DCADMM Cc1ccc(CN(CCO)c2cncc(-c3nn[n-]n3)n2)o1 ZINC001592152752 1167462692 /nfs/dbraw/zinc/46/26/92/1167462692.db2.gz GMQAUWIUISGDPH-UHFFFAOYSA-N -1 1 301.310 0.557 20 0 DCADMM Cc1ccc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)nc1 ZINC001592167543 1167467618 /nfs/dbraw/zinc/46/76/18/1167467618.db2.gz MFFKCDNMORQRIG-SECBINFHSA-N -1 1 314.309 0.466 20 0 DCADMM Cc1ccc(F)c(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001592173992 1167468500 /nfs/dbraw/zinc/46/85/00/1167468500.db2.gz ZXHVZWZLHYQVBC-UHFFFAOYSA-N -1 1 301.285 0.976 20 0 DCADMM Cc1ccc(NCC[C@H]2CC(=O)N(C)C2)c(-c2nnn[n-]2)n1 ZINC001592183572 1167470029 /nfs/dbraw/zinc/47/00/29/1167470029.db2.gz UPFMRUMYTZHZQN-JTQLQIEISA-N -1 1 301.354 0.850 20 0 DCADMM Cc1ccc(NCC[C@H]2CC(=O)N(C)C2)c(-c2nn[n-]n2)n1 ZINC001592183572 1167470034 /nfs/dbraw/zinc/47/00/34/1167470034.db2.gz UPFMRUMYTZHZQN-JTQLQIEISA-N -1 1 301.354 0.850 20 0 DCADMM Cc1ccc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592177682 1167470501 /nfs/dbraw/zinc/47/05/01/1167470501.db2.gz FVPMVIMDFNFZNM-MNOVXSKESA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592177682 1167470505 /nfs/dbraw/zinc/47/05/05/1167470505.db2.gz FVPMVIMDFNFZNM-MNOVXSKESA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)nc1-c1nnn[n-]1 ZINC001592183893 1167473359 /nfs/dbraw/zinc/47/33/59/1167473359.db2.gz LSLPDZBVGBPGRP-NXEZZACHSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1ccc(N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)nc1-c1nn[n-]n1 ZINC001592183893 1167473366 /nfs/dbraw/zinc/47/33/66/1167473366.db2.gz LSLPDZBVGBPGRP-NXEZZACHSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1ccnc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592269350 1167480478 /nfs/dbraw/zinc/48/04/78/1167480478.db2.gz MOOIVRVGCYVORQ-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1ccnc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592269350 1167480482 /nfs/dbraw/zinc/48/04/82/1167480482.db2.gz MOOIVRVGCYVORQ-UHFFFAOYSA-N -1 1 302.323 0.352 20 0 DCADMM Cc1cncc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC001592300183 1167485598 /nfs/dbraw/zinc/48/55/98/1167485598.db2.gz OOHMBCFBAIHQJA-UHFFFAOYSA-N -1 1 314.357 0.339 20 0 DCADMM Cc1cncc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC001592300183 1167485600 /nfs/dbraw/zinc/48/56/00/1167485600.db2.gz OOHMBCFBAIHQJA-UHFFFAOYSA-N -1 1 314.357 0.339 20 0 DCADMM Cc1[nH]nc(NC(=O)COC[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC001592327585 1167489534 /nfs/dbraw/zinc/48/95/34/1167489534.db2.gz GFZHDKKKIDXKBH-MRVPVSSYSA-N -1 1 307.314 0.032 20 0 DCADMM Cc1n[nH]c(C)c1S(=O)(=O)Oc1cccnc1-c1nn[n-]n1 ZINC001592325757 1167489948 /nfs/dbraw/zinc/48/99/48/1167489948.db2.gz ZTFHWSMIYBCPRS-UHFFFAOYSA-N -1 1 321.322 0.369 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCCC[C@H]2[C@@H](C)CO)n1 ZINC001592341306 1167494916 /nfs/dbraw/zinc/49/49/16/1167494916.db2.gz PIJAWVCUUOAAGK-CABZTGNLSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCCC[C@H]2[C@@H](C)CO)n1 ZINC001592341306 1167494920 /nfs/dbraw/zinc/49/49/20/1167494920.db2.gz PIJAWVCUUOAAGK-CABZTGNLSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc([C@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)no1 ZINC001592354108 1167501432 /nfs/dbraw/zinc/50/14/32/1167501432.db2.gz CISLDXBUSBJKKL-LURJTMIESA-N -1 1 300.282 0.444 20 0 DCADMM Cc1nc([C@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)no1 ZINC001592354108 1167501437 /nfs/dbraw/zinc/50/14/37/1167501437.db2.gz CISLDXBUSBJKKL-LURJTMIESA-N -1 1 300.282 0.444 20 0 DCADMM Cc1nc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)no1 ZINC001592362937 1167505072 /nfs/dbraw/zinc/50/50/72/1167505072.db2.gz KKYCPLJLMQHWOE-UHFFFAOYSA-N -1 1 309.293 0.865 20 0 DCADMM Cc1nc(N[C@@H](CO)C[C@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001592379694 1167510271 /nfs/dbraw/zinc/51/02/71/1167510271.db2.gz JTRBYOBZOOJBGF-NXEZZACHSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1nc(N[C@@H](CO)C[C@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001592379694 1167510277 /nfs/dbraw/zinc/51/02/77/1167510277.db2.gz JTRBYOBZOOJBGF-NXEZZACHSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1nc(NCCS(=O)(=O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001592391719 1167511704 /nfs/dbraw/zinc/51/17/04/1167511704.db2.gz RNRKOGKZQKXUGC-UHFFFAOYSA-N -1 1 311.371 0.200 20 0 DCADMM Cc1nc(NCCS(=O)(=O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001592391719 1167511715 /nfs/dbraw/zinc/51/17/15/1167511715.db2.gz RNRKOGKZQKXUGC-UHFFFAOYSA-N -1 1 311.371 0.200 20 0 DCADMM Cc1nc(NCCC(=O)Nc2ncc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001592388091 1167513369 /nfs/dbraw/zinc/51/33/69/1167513369.db2.gz RPMAZMRQEBYOQL-UHFFFAOYSA-N -1 1 314.313 0.129 20 0 DCADMM Cc1nc(NCCC(=O)Nc2ncc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001592388091 1167513374 /nfs/dbraw/zinc/51/33/74/1167513374.db2.gz RPMAZMRQEBYOQL-UHFFFAOYSA-N -1 1 314.313 0.129 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cnc(C)nc2C)nn1C ZINC001592408832 1167514444 /nfs/dbraw/zinc/51/44/44/1167514444.db2.gz LRODVWGVACBKCC-UHFFFAOYSA-N -1 1 313.325 0.568 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cnc(C)nc2C)nn1C ZINC001592408832 1167514451 /nfs/dbraw/zinc/51/44/51/1167514451.db2.gz LRODVWGVACBKCC-UHFFFAOYSA-N -1 1 313.325 0.568 20 0 DCADMM Cc1ncc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)c(N)n1 ZINC001592407273 1167516042 /nfs/dbraw/zinc/51/60/42/1167516042.db2.gz KGIRMOQOTAKYJD-UHFFFAOYSA-N -1 1 322.292 0.659 20 0 DCADMM Cc1ncc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c(N)n1 ZINC001592407273 1167516045 /nfs/dbraw/zinc/51/60/45/1167516045.db2.gz KGIRMOQOTAKYJD-UHFFFAOYSA-N -1 1 322.292 0.659 20 0 DCADMM Cc1ncc(S(=O)(=O)Oc2cccnc2-c2nn[n-]n2)s1 ZINC001592412855 1167516099 /nfs/dbraw/zinc/51/60/99/1167516099.db2.gz LJDQKXVFSDEVJR-UHFFFAOYSA-N -1 1 324.347 0.794 20 0 DCADMM Cc1nn(C)cc1CC(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001592435580 1167519208 /nfs/dbraw/zinc/51/92/08/1167519208.db2.gz OBQNTIHUMNCSFC-UHFFFAOYSA-N -1 1 315.341 0.132 20 0 DCADMM Cc1nn(C)cc1CC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001592435580 1167519218 /nfs/dbraw/zinc/51/92/18/1167519218.db2.gz OBQNTIHUMNCSFC-UHFFFAOYSA-N -1 1 315.341 0.132 20 0 DCADMM Cc1nn(CC(=O)c2nccs2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436192 1167523554 /nfs/dbraw/zinc/52/35/54/1167523554.db2.gz JZWKFBUEGUGVKX-UHFFFAOYSA-N -1 1 317.334 0.380 20 0 DCADMM Cc1nnc(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)o1 ZINC001592444079 1167528379 /nfs/dbraw/zinc/52/83/79/1167528379.db2.gz NNHLPMXMVRRQLI-UHFFFAOYSA-N -1 1 321.326 0.014 20 0 DCADMM Cc1nnc(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)o1 ZINC001592444079 1167528385 /nfs/dbraw/zinc/52/83/85/1167528385.db2.gz NNHLPMXMVRRQLI-UHFFFAOYSA-N -1 1 321.326 0.014 20 0 DCADMM Cc1nsc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1-c1nn[n-]n1 ZINC001592474430 1167535890 /nfs/dbraw/zinc/53/58/90/1167535890.db2.gz JZDONYSVACBNPI-BDAKNGLRSA-N -1 1 319.394 0.737 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCNC(=O)C(C)(C)C ZINC001592500797 1167542461 /nfs/dbraw/zinc/54/24/61/1167542461.db2.gz IMDSBFIWUVGYCX-UHFFFAOYSA-N -1 1 320.353 0.660 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCNC(=O)C(C)(C)C ZINC001592500797 1167542465 /nfs/dbraw/zinc/54/24/65/1167542465.db2.gz IMDSBFIWUVGYCX-UHFFFAOYSA-N -1 1 320.353 0.660 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H](O)c1ccncc1 ZINC001592503764 1167543264 /nfs/dbraw/zinc/54/32/64/1167543264.db2.gz YXUCYCYZRORYPM-NSHDSACASA-N -1 1 314.305 0.627 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H](O)c1ccncc1 ZINC001592503764 1167543270 /nfs/dbraw/zinc/54/32/70/1167543270.db2.gz YXUCYCYZRORYPM-NSHDSACASA-N -1 1 314.305 0.627 20 0 DCADMM Cc1occc1COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592512148 1167545561 /nfs/dbraw/zinc/54/55/61/1167545561.db2.gz FISGIRXVLBPGKX-SSDOTTSWSA-N -1 1 303.282 0.664 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@@H]2CC[C@H]3C[C@H]3C2)c(-c2nn[n-]n2)c1=O ZINC001592546157 1167551045 /nfs/dbraw/zinc/55/10/45/1167551045.db2.gz KSZQCGHGEXKQSP-HRDYMLBCSA-N -1 1 317.353 0.514 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@]23C[C@H]2CCC3)c(-c2nn[n-]n2)c1=O ZINC001592545514 1167551479 /nfs/dbraw/zinc/55/14/79/1167551479.db2.gz BUKZVHJTPXSCQJ-UHLUBPPHSA-N -1 1 303.326 0.268 20 0 DCADMM Cn1c(CNc2nc(-c3nn[n-]n3)c(Cl)s2)n[nH]c1=O ZINC001592552971 1167557791 /nfs/dbraw/zinc/55/77/91/1167557791.db2.gz XDXYEOROWSRTMV-UHFFFAOYSA-N -1 1 313.734 0.423 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@H]2Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592556705 1167558463 /nfs/dbraw/zinc/55/84/63/1167558463.db2.gz DAJZMNCMCPWBJH-SNVBAGLBSA-N -1 1 324.348 0.845 20 0 DCADMM Cn1c(=O)ccc2c1CCC[C@H]2Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592556705 1167558468 /nfs/dbraw/zinc/55/84/68/1167558468.db2.gz DAJZMNCMCPWBJH-SNVBAGLBSA-N -1 1 324.348 0.845 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC(=O)c3ccccc32)n1 ZINC001592558834 1167558678 /nfs/dbraw/zinc/55/86/78/1167558678.db2.gz HXLJKZUQPXJKHM-SNVBAGLBSA-N -1 1 323.316 0.909 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC(=O)c3ccccc32)n1 ZINC001592558834 1167558689 /nfs/dbraw/zinc/55/86/89/1167558689.db2.gz HXLJKZUQPXJKHM-SNVBAGLBSA-N -1 1 323.316 0.909 20 0 DCADMM Cn1cc(N2CC[C@H](Nc3cccc(-c4nnn[n-]4)n3)C2)cn1 ZINC001592575223 1167565904 /nfs/dbraw/zinc/56/59/04/1167565904.db2.gz BHSCIJGAHAVNBA-JTQLQIEISA-N -1 1 311.353 0.686 20 0 DCADMM Cn1cc(N2CC[C@H](Nc3cccc(-c4nn[n-]n4)n3)C2)cn1 ZINC001592575223 1167565908 /nfs/dbraw/zinc/56/59/08/1167565908.db2.gz BHSCIJGAHAVNBA-JTQLQIEISA-N -1 1 311.353 0.686 20 0 DCADMM Cn1ccc([C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001592580232 1167567352 /nfs/dbraw/zinc/56/73/52/1167567352.db2.gz VDXAFOLGQQMHML-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ccc([C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001592580232 1167567429 /nfs/dbraw/zinc/56/74/29/1167567429.db2.gz VDXAFOLGQQMHML-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ccc(COC(=O)c2ccc(-c3nn[n-]n3)o2)cc1=O ZINC001592580873 1167571737 /nfs/dbraw/zinc/57/17/37/1167571737.db2.gz PBWOOICGZACCFF-UHFFFAOYSA-N -1 1 301.262 0.515 20 0 DCADMM Cn1cnnc1C1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001592590825 1167572451 /nfs/dbraw/zinc/57/24/51/1167572451.db2.gz CZBLYMDWGJPYRF-UHFFFAOYSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cnnc1C1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001592590825 1167572454 /nfs/dbraw/zinc/57/24/54/1167572454.db2.gz CZBLYMDWGJPYRF-UHFFFAOYSA-N -1 1 312.341 0.169 20 0 DCADMM Cn1ncc(C2CCC2)c1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001592600670 1167579163 /nfs/dbraw/zinc/57/91/63/1167579163.db2.gz QERBXJNGJMDTSY-UHFFFAOYSA-N -1 1 311.353 0.692 20 0 DCADMM Cn1nccc1CCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592605550 1167580997 /nfs/dbraw/zinc/58/09/97/1167580997.db2.gz LPMQKGWKOZVVIN-UHFFFAOYSA-N -1 1 312.337 0.244 20 0 DCADMM Cn1nccc1CCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592605550 1167581004 /nfs/dbraw/zinc/58/10/04/1167581004.db2.gz LPMQKGWKOZVVIN-UHFFFAOYSA-N -1 1 312.337 0.244 20 0 DCADMM NC(=O)[C@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001592735605 1167622981 /nfs/dbraw/zinc/62/29/81/1167622981.db2.gz VWFZTAOUZYNPTF-OCAPTIKFSA-N -1 1 310.321 0.486 20 0 DCADMM NC(=O)[C@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001592735605 1167622992 /nfs/dbraw/zinc/62/29/92/1167622992.db2.gz VWFZTAOUZYNPTF-OCAPTIKFSA-N -1 1 310.321 0.486 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cc(C2CC2)no1 ZINC001592753652 1167631413 /nfs/dbraw/zinc/63/14/13/1167631413.db2.gz YKNWIFZNTNWIEI-UHFFFAOYSA-N -1 1 300.282 0.394 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001592755008 1167632931 /nfs/dbraw/zinc/63/29/31/1167632931.db2.gz ZEOCISSUFPGNGD-SNVBAGLBSA-N -1 1 324.348 0.812 20 0 DCADMM Nc1nnc(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)o1 ZINC001592763629 1167638344 /nfs/dbraw/zinc/63/83/44/1167638344.db2.gz DTRNFSDJSONOSM-UHFFFAOYSA-N -1 1 307.705 0.535 20 0 DCADMM Nc1nnc(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)o1 ZINC001592763629 1167638346 /nfs/dbraw/zinc/63/83/46/1167638346.db2.gz DTRNFSDJSONOSM-UHFFFAOYSA-N -1 1 307.705 0.535 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](CCF)C1 ZINC001592940547 1167669225 /nfs/dbraw/zinc/66/92/25/1167669225.db2.gz MYSMLMMXWSTZOJ-SECBINFHSA-N -1 1 308.321 0.056 20 0 DCADMM O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592995196 1167682571 /nfs/dbraw/zinc/68/25/71/1167682571.db2.gz DNDMDOOOIYMNTG-IINYFYTJSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592995196 1167682575 /nfs/dbraw/zinc/68/25/75/1167682575.db2.gz DNDMDOOOIYMNTG-IINYFYTJSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@H]1COCCC1=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593001315 1167684601 /nfs/dbraw/zinc/68/46/01/1167684601.db2.gz JXDXOEIJDDTSKJ-VIFPVBQESA-N -1 1 323.259 0.233 20 0 DCADMM O=C(N[C@H]1COCCC1=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593001315 1167684607 /nfs/dbraw/zinc/68/46/07/1167684607.db2.gz JXDXOEIJDDTSKJ-VIFPVBQESA-N -1 1 323.259 0.233 20 0 DCADMM O=C(NCC1(CO)CCCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593016181 1167688600 /nfs/dbraw/zinc/68/86/00/1167688600.db2.gz UEPODVIVMSHSBU-UHFFFAOYSA-N -1 1 316.365 0.934 20 0 DCADMM O=C(NCC1(CO)CCCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593016181 1167688607 /nfs/dbraw/zinc/68/86/07/1167688607.db2.gz UEPODVIVMSHSBU-UHFFFAOYSA-N -1 1 316.365 0.934 20 0 DCADMM O=C(NC[C@@H]1CSCCS1)c1cccc(-c2nnn[n-]2)n1 ZINC001593047262 1167692183 /nfs/dbraw/zinc/69/21/83/1167692183.db2.gz JGHFIWMCKACLEO-MRVPVSSYSA-N -1 1 322.419 0.840 20 0 DCADMM O=C(NC[C@@H]1CSCCS1)c1cccc(-c2nn[n-]n2)n1 ZINC001593047262 1167692192 /nfs/dbraw/zinc/69/21/92/1167692192.db2.gz JGHFIWMCKACLEO-MRVPVSSYSA-N -1 1 322.419 0.840 20 0 DCADMM O=C(NCC[C@@H](O)C1CC1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001593057614 1167695939 /nfs/dbraw/zinc/69/59/39/1167695939.db2.gz XBBFGSLERQNFJU-SECBINFHSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCC[C@@H](O)C1CC1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001593057614 1167695943 /nfs/dbraw/zinc/69/59/43/1167695943.db2.gz XBBFGSLERQNFJU-SECBINFHSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCCNc1cnccn1)c1ccc(-c2nnn[n-]2)o1 ZINC001593091814 1167705886 /nfs/dbraw/zinc/70/58/86/1167705886.db2.gz OMQVGFXCLPERAZ-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCNc1cnccn1)c1ccc(-c2nn[n-]n2)o1 ZINC001593091814 1167705895 /nfs/dbraw/zinc/70/58/95/1167705895.db2.gz OMQVGFXCLPERAZ-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001593112367 1167713204 /nfs/dbraw/zinc/71/32/04/1167713204.db2.gz MZBCEEXUNYESTP-VHSXEESVSA-N -1 1 302.342 0.011 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@H]1CC[C@@H](O)C1 ZINC001593151384 1167725353 /nfs/dbraw/zinc/72/53/53/1167725353.db2.gz WWLURBXSIBCCQI-JGVFFNPUSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@H]1CC[C@@H](O)C1 ZINC001593151384 1167725359 /nfs/dbraw/zinc/72/53/59/1167725359.db2.gz WWLURBXSIBCCQI-JGVFFNPUSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cccc(O)c1 ZINC001593151770 1167727134 /nfs/dbraw/zinc/72/71/34/1167727134.db2.gz BOYCCSNQGRPYCF-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cccc(O)c1 ZINC001593151770 1167727137 /nfs/dbraw/zinc/72/71/37/1167727137.db2.gz BOYCCSNQGRPYCF-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccnc(OC(F)F)c1 ZINC001593200022 1167734618 /nfs/dbraw/zinc/73/46/18/1167734618.db2.gz ZPUFTJMBMUCKRY-UHFFFAOYSA-N -1 1 322.235 0.839 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccnc(OC(F)F)c1 ZINC001593200022 1167734627 /nfs/dbraw/zinc/73/46/27/1167734627.db2.gz ZPUFTJMBMUCKRY-UHFFFAOYSA-N -1 1 322.235 0.839 20 0 DCADMM O=C(O[C@H]1CCN(CCF)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001593281155 1167756208 /nfs/dbraw/zinc/75/62/08/1167756208.db2.gz PRRSGGBXQRKZOV-VIFPVBQESA-N -1 1 306.301 0.462 20 0 DCADMM O=C(OCCCN1CCOC1=O)c1ccsc1-c1nnn[n-]1 ZINC001593287210 1167760557 /nfs/dbraw/zinc/76/05/57/1167760557.db2.gz CFXOLNFMSQRJNJ-UHFFFAOYSA-N -1 1 323.334 0.927 20 0 DCADMM O=C(OCCCN1CCOC1=O)c1ccsc1-c1nn[n-]n1 ZINC001593287210 1167760567 /nfs/dbraw/zinc/76/05/67/1167760567.db2.gz CFXOLNFMSQRJNJ-UHFFFAOYSA-N -1 1 323.334 0.927 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCN(CC(F)F)CC1 ZINC001593339021 1167779102 /nfs/dbraw/zinc/77/91/02/1167779102.db2.gz KZYAVBDGDVMUSB-UHFFFAOYSA-N -1 1 312.280 0.483 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCN(CC(F)F)CC1 ZINC001593339021 1167779109 /nfs/dbraw/zinc/77/91/09/1167779109.db2.gz KZYAVBDGDVMUSB-UHFFFAOYSA-N -1 1 312.280 0.483 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC(F)(F)C[C@H]1CO ZINC001593337002 1167779726 /nfs/dbraw/zinc/77/97/26/1167779726.db2.gz KGXLFHJEVYDDGS-QMMMGPOBSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC(F)(F)C[C@H]1CO ZINC001593337002 1167779735 /nfs/dbraw/zinc/77/97/35/1167779735.db2.gz KGXLFHJEVYDDGS-QMMMGPOBSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC2(C1)OCCO2 ZINC001593351049 1167785970 /nfs/dbraw/zinc/78/59/70/1167785970.db2.gz VLPNXGUJWUENLL-UHFFFAOYSA-N -1 1 319.296 0.595 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC2(C1)OCCO2 ZINC001593351049 1167785976 /nfs/dbraw/zinc/78/59/76/1167785976.db2.gz VLPNXGUJWUENLL-UHFFFAOYSA-N -1 1 319.296 0.595 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001593370134 1167789712 /nfs/dbraw/zinc/78/97/12/1167789712.db2.gz HPKRKKZBHDNTBM-FKTZTGRPSA-N -1 1 305.363 0.771 20 0 DCADMM O=C1C[C@@H](CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)CN1 ZINC001593386686 1167797503 /nfs/dbraw/zinc/79/75/03/1167797503.db2.gz XVRCZFYHRVTERY-SSDOTTSWSA-N -1 1 307.745 0.853 20 0 DCADMM O=C1C[C@@H](CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)CN1 ZINC001593386686 1167797511 /nfs/dbraw/zinc/79/75/11/1167797511.db2.gz XVRCZFYHRVTERY-SSDOTTSWSA-N -1 1 307.745 0.853 20 0 DCADMM O=C1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCN1 ZINC001593390339 1167801771 /nfs/dbraw/zinc/80/17/71/1167801771.db2.gz LAFSXSAEXOJGQH-SECBINFHSA-N -1 1 314.353 0.615 20 0 DCADMM O=C1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCN1 ZINC001593390339 1167801783 /nfs/dbraw/zinc/80/17/83/1167801783.db2.gz LAFSXSAEXOJGQH-SECBINFHSA-N -1 1 314.353 0.615 20 0 DCADMM O=S(=O)(NC1CC2(CCC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593435280 1167836294 /nfs/dbraw/zinc/83/62/94/1167836294.db2.gz USLGSDYVQPNUOO-UHFFFAOYSA-N -1 1 320.378 0.873 20 0 DCADMM O=S(=O)(NC1CC2(CCC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593435280 1167836335 /nfs/dbraw/zinc/83/63/35/1167836335.db2.gz USLGSDYVQPNUOO-UHFFFAOYSA-N -1 1 320.378 0.873 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1cccnc1-c1nn[n-]n1 ZINC001593433516 1167836808 /nfs/dbraw/zinc/83/68/08/1167836808.db2.gz FWWKLAHYZHBPCR-IVZWLZJFSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(NCC1(O)CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593432563 1167837492 /nfs/dbraw/zinc/83/74/92/1167837492.db2.gz MNPHHGMVLPJOKC-UHFFFAOYSA-N -1 1 315.380 0.122 20 0 DCADMM O=S(=O)(NCC1(O)CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593432563 1167837507 /nfs/dbraw/zinc/83/75/07/1167837507.db2.gz MNPHHGMVLPJOKC-UHFFFAOYSA-N -1 1 315.380 0.122 20 0 DCADMM O=S(=O)(NC/C=C/Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001593437648 1167842072 /nfs/dbraw/zinc/84/20/72/1167842072.db2.gz AXAOSJULLWXOLS-DAFODLJHSA-N -1 1 300.731 0.293 20 0 DCADMM O=S(=O)(NC/C=C/Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001593437648 1167842086 /nfs/dbraw/zinc/84/20/86/1167842086.db2.gz AXAOSJULLWXOLS-DAFODLJHSA-N -1 1 300.731 0.293 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@@H]1CC2(CCC2)CO1 ZINC001593489465 1167873593 /nfs/dbraw/zinc/87/35/93/1167873593.db2.gz ORZZOAQESZWZAS-QMMMGPOBSA-N -1 1 304.310 0.088 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccc2nccnc2c1 ZINC001593489217 1167874328 /nfs/dbraw/zinc/87/43/28/1167874328.db2.gz FGPKNQMGGSRJKG-UHFFFAOYSA-N -1 1 322.288 0.121 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CN1CC[C@]2(CCOC2)C1 ZINC001593492985 1167876341 /nfs/dbraw/zinc/87/63/41/1167876341.db2.gz SHBCJKVJNNRNHQ-AWEZNQCLSA-N -1 1 302.338 0.098 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@H]1C[C@@]13CCOC3)CCC2 ZINC001593491869 1167876854 /nfs/dbraw/zinc/87/68/54/1167876854.db2.gz AJFKZNCQHHDJGN-BDJLRTHQSA-N -1 1 313.361 0.944 20 0 DCADMM O[C@@H](COc1cccnc1-c1nnn[n-]1)COC1CCOCC1 ZINC001593510847 1167889724 /nfs/dbraw/zinc/88/97/24/1167889724.db2.gz CYVGHRHAWRCMLS-SNVBAGLBSA-N -1 1 321.337 0.197 20 0 DCADMM O[C@@H](COc1cccnc1-c1nn[n-]n1)COC1CCOCC1 ZINC001593510847 1167889730 /nfs/dbraw/zinc/88/97/30/1167889730.db2.gz CYVGHRHAWRCMLS-SNVBAGLBSA-N -1 1 321.337 0.197 20 0 DCADMM c1cc(CN2CCO[C@H]([C@H]3CCCO3)C2)nc(-c2nn[n-]n2)c1 ZINC001593555083 1167933561 /nfs/dbraw/zinc/93/35/61/1167933561.db2.gz HEDSDISFGCNGCP-KGLIPLIRSA-N -1 1 316.365 0.642 20 0 DCADMM c1cc(CNCc2noc3c2COCC3)nc(-c2nn[n-]n2)c1 ZINC001593554870 1167933916 /nfs/dbraw/zinc/93/39/16/1167933916.db2.gz UMXVWLITPAVSIH-UHFFFAOYSA-N -1 1 313.321 0.612 20 0 DCADMM c1cc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)nc(-c2nn[n-]n2)n1 ZINC001593558704 1167936171 /nfs/dbraw/zinc/93/61/71/1167936171.db2.gz PGXSXGIVBLWRON-MRTMQBJTSA-N -1 1 321.435 0.870 20 0 DCADMM c1cc(N2CCOC3(CCOCC3)CC2)nnc1-c1nnn[n-]1 ZINC001593559410 1167942250 /nfs/dbraw/zinc/94/22/50/1167942250.db2.gz VBABLNOZKMWIHX-UHFFFAOYSA-N -1 1 317.353 0.433 20 0 DCADMM c1cc(N2CCOC3(CCOCC3)CC2)nnc1-c1nn[n-]n1 ZINC001593559410 1167942258 /nfs/dbraw/zinc/94/22/58/1167942258.db2.gz VBABLNOZKMWIHX-UHFFFAOYSA-N -1 1 317.353 0.433 20 0 DCADMM c1ccc2c(c1)CCCN2CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001593579793 1167950280 /nfs/dbraw/zinc/95/02/80/1167950280.db2.gz CCQRQMOLIRRWJH-UHFFFAOYSA-N -1 1 322.376 0.943 20 0 DCADMM c1cnc(N2CCOC3(CCOCC3)CC2)c(-c2nnn[n-]2)n1 ZINC001593585311 1167951279 /nfs/dbraw/zinc/95/12/79/1167951279.db2.gz YZGUADFRJCDNHN-UHFFFAOYSA-N -1 1 317.353 0.433 20 0 DCADMM c1cnc(N2CCOC3(CCOCC3)CC2)c(-c2nn[n-]n2)n1 ZINC001593585311 1167951280 /nfs/dbraw/zinc/95/12/80/1167951280.db2.gz YZGUADFRJCDNHN-UHFFFAOYSA-N -1 1 317.353 0.433 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCC(C3OCCO3)CC2)n1 ZINC001593590167 1167953052 /nfs/dbraw/zinc/95/30/52/1167953052.db2.gz ISOWTHJSLYJRTM-UHFFFAOYSA-N -1 1 303.326 0.246 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCC(C3OCCO3)CC2)n1 ZINC001593590167 1167953055 /nfs/dbraw/zinc/95/30/55/1167953055.db2.gz ISOWTHJSLYJRTM-UHFFFAOYSA-N -1 1 303.326 0.246 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCOC[C@@H]2[C@@H]2CCCO2)n1 ZINC001593590497 1167954763 /nfs/dbraw/zinc/95/47/63/1167954763.db2.gz VODRRSKWVZWODC-MNOVXSKESA-N -1 1 303.326 0.041 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCOC[C@@H]2[C@@H]2CCCO2)n1 ZINC001593590497 1167954766 /nfs/dbraw/zinc/95/47/66/1167954766.db2.gz VODRRSKWVZWODC-MNOVXSKESA-N -1 1 303.326 0.041 20 0 DCADMM Cc1cc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c2nccn2c1 ZINC001596088049 1167987031 /nfs/dbraw/zinc/98/70/31/1167987031.db2.gz 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CC(C)(C)C(=O)NCC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001603056142 1169240489 /nfs/dbraw/zinc/24/04/89/1169240489.db2.gz OQNWAMCZTFQOAV-UHFFFAOYSA-N -1 1 323.382 0.102 20 0 DCADMM CC(C)(C)n1cc(Cn2cc(-c3nn[n-]n3)ccc2=O)nn1 ZINC001603130837 1169250208 /nfs/dbraw/zinc/25/02/08/1169250208.db2.gz RIHDGBDAYWLNAI-UHFFFAOYSA-N -1 1 300.326 0.423 20 0 DCADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccnn1C ZINC001603145150 1169254310 /nfs/dbraw/zinc/25/43/10/1169254310.db2.gz CTHDSQHQRLDHQQ-VXGBXAGGSA-N -1 1 308.382 0.531 20 0 DCADMM C[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccnn1C ZINC001603145146 1169255623 /nfs/dbraw/zinc/25/56/23/1169255623.db2.gz CTHDSQHQRLDHQQ-NEPJUHHUSA-N -1 1 308.382 0.531 20 0 DCADMM C[C@H](C(=O)NCc1ccc(F)cc1)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001603168472 1169265859 /nfs/dbraw/zinc/26/58/59/1169265859.db2.gz SCJPJKGDQVDVNY-BMIGLBTASA-N -1 1 310.325 0.352 20 0 DCADMM CC(C)=CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001603185788 1169270200 /nfs/dbraw/zinc/27/02/00/1169270200.db2.gz VRSMTJMSDHGPQY-AOOOYVTPSA-N -1 1 314.353 0.682 20 0 DCADMM CC(C)=CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001603185788 1169270207 /nfs/dbraw/zinc/27/02/07/1169270207.db2.gz VRSMTJMSDHGPQY-AOOOYVTPSA-N -1 1 314.353 0.682 20 0 DCADMM CC(C)[C@](C)(CO)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603206034 1169275595 /nfs/dbraw/zinc/27/55/95/1169275595.db2.gz GOBFAYNNKLNMOX-ZDUSSCGKSA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)[C@](C)(CO)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603206034 1169275603 /nfs/dbraw/zinc/27/56/03/1169275603.db2.gz GOBFAYNNKLNMOX-ZDUSSCGKSA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)CC(=O)N1CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001603251229 1169281131 /nfs/dbraw/zinc/28/11/31/1169281131.db2.gz DJUUTJJEGSJCOV-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CC(C)CC(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001603256366 1169281995 /nfs/dbraw/zinc/28/19/95/1169281995.db2.gz BYSQSYLORZJMHK-UHFFFAOYSA-N -1 1 304.358 0.255 20 0 DCADMM CC(C)CC(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001603256366 1169281996 /nfs/dbraw/zinc/28/19/96/1169281996.db2.gz BYSQSYLORZJMHK-UHFFFAOYSA-N -1 1 304.358 0.255 20 0 DCADMM CC(C)c1noc(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001603420500 1169305184 /nfs/dbraw/zinc/30/51/84/1169305184.db2.gz COGLAVVYSMUZEY-UHFFFAOYSA-N -1 1 317.309 0.939 20 0 DCADMM CC(C)c1noc(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001603420500 1169305193 /nfs/dbraw/zinc/30/51/93/1169305193.db2.gz COGLAVVYSMUZEY-UHFFFAOYSA-N -1 1 317.309 0.939 20 0 DCADMM C[C@@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)n1cccc1 ZINC001603449782 1169305392 /nfs/dbraw/zinc/30/53/92/1169305392.db2.gz YWWDGWNGCFVHDO-VIFPVBQESA-N -1 1 300.326 0.992 20 0 DCADMM C[C@@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)n1cccc1 ZINC001603449782 1169305402 /nfs/dbraw/zinc/30/54/02/1169305402.db2.gz YWWDGWNGCFVHDO-VIFPVBQESA-N -1 1 300.326 0.992 20 0 DCADMM C[C@H](CNC(=O)C1CCC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001603525227 1169318629 /nfs/dbraw/zinc/31/86/29/1169318629.db2.gz WQSKKMBHJLIFSF-VIFPVBQESA-N -1 1 316.369 0.043 20 0 DCADMM C[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)c1nncn1C ZINC001603548071 1169320177 /nfs/dbraw/zinc/32/01/77/1169320177.db2.gz VVHYKRLGHRPWOK-SSDOTTSWSA-N -1 1 302.298 0.122 20 0 DCADMM C[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)c1nncn1C ZINC001603548071 1169320186 /nfs/dbraw/zinc/32/01/86/1169320186.db2.gz VVHYKRLGHRPWOK-SSDOTTSWSA-N -1 1 302.298 0.122 20 0 DCADMM CC(C)(CO)[C@@H](NCC(=O)NCCC(=O)[O-])c1cccs1 ZINC001603651604 1169341098 /nfs/dbraw/zinc/34/10/98/1169341098.db2.gz GRDABPMMCIYXBI-ZDUSSCGKSA-N -1 1 314.407 0.988 20 0 DCADMM CC(C)(CNCc1ccc(/C=C/C(=O)[O-])o1)NS(C)(=O)=O ZINC001603644513 1169341306 /nfs/dbraw/zinc/34/13/06/1169341306.db2.gz FMHOSHHVJYMTBA-VOTSOKGWSA-N -1 1 316.379 0.795 20 0 DCADMM C[C@H](O)CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001603695803 1169358826 /nfs/dbraw/zinc/35/88/26/1169358826.db2.gz LZVJSIOFSCTXER-QMMMGPOBSA-N -1 1 303.322 0.318 20 0 DCADMM C[C@@H](OCc1ccncc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001603709462 1169367298 /nfs/dbraw/zinc/36/72/98/1169367298.db2.gz FLZNVTIDSVTHIN-MRVPVSSYSA-N -1 1 314.309 0.286 20 0 DCADMM CC(C)C[C@@H](C)C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001603768412 1169383863 /nfs/dbraw/zinc/38/38/63/1169383863.db2.gz QKKSVFXYKACTLX-CQSZACIVSA-N -1 1 313.442 0.829 20 0 DCADMM CC1(C)CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC[S@@]1=O ZINC001603778164 1169389316 /nfs/dbraw/zinc/38/93/16/1169389316.db2.gz DJVQAFQYUIYVOG-QFIPXVFZSA-N -1 1 323.378 0.833 20 0 DCADMM CC1(C)CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC[S@@]1=O ZINC001603778164 1169389327 /nfs/dbraw/zinc/38/93/27/1169389327.db2.gz DJVQAFQYUIYVOG-QFIPXVFZSA-N -1 1 323.378 0.833 20 0 DCADMM C[C@@]1(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCCCO1 ZINC001603801830 1169397366 /nfs/dbraw/zinc/39/73/66/1169397366.db2.gz AROXDQUZBDSDGK-HNNXBMFYSA-N -1 1 316.365 0.880 20 0 DCADMM C[C@@]1(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCCCO1 ZINC001603801830 1169397374 /nfs/dbraw/zinc/39/73/74/1169397374.db2.gz AROXDQUZBDSDGK-HNNXBMFYSA-N -1 1 316.365 0.880 20 0 DCADMM C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001603830783 1169406368 /nfs/dbraw/zinc/40/63/68/1169406368.db2.gz OEYLPJDAAPWRCO-HTQZYQBOSA-N -1 1 320.378 0.945 20 0 DCADMM C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001603830783 1169406371 /nfs/dbraw/zinc/40/63/71/1169406371.db2.gz OEYLPJDAAPWRCO-HTQZYQBOSA-N -1 1 320.378 0.945 20 0 DCADMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001603830784 1169406517 /nfs/dbraw/zinc/40/65/17/1169406517.db2.gz OEYLPJDAAPWRCO-JGVFFNPUSA-N -1 1 320.378 0.945 20 0 DCADMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001603830784 1169406520 /nfs/dbraw/zinc/40/65/20/1169406520.db2.gz OEYLPJDAAPWRCO-JGVFFNPUSA-N -1 1 320.378 0.945 20 0 DCADMM C[C@@H]1C[C@H](CO)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603850191 1169411517 /nfs/dbraw/zinc/41/15/17/1169411517.db2.gz DBHHTWBMDDZKFF-ZJUUUORDSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1C[C@H](CO)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603850191 1169411524 /nfs/dbraw/zinc/41/15/24/1169411524.db2.gz DBHHTWBMDDZKFF-ZJUUUORDSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2nccn21 ZINC001603851830 1169412206 /nfs/dbraw/zinc/41/22/06/1169412206.db2.gz AABRUVAZLFFZAW-LDYMZIIASA-N -1 1 310.321 0.894 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2nccn21 ZINC001603851830 1169412211 /nfs/dbraw/zinc/41/22/11/1169412211.db2.gz AABRUVAZLFFZAW-LDYMZIIASA-N -1 1 310.321 0.894 20 0 DCADMM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603874339 1169418992 /nfs/dbraw/zinc/41/89/92/1169418992.db2.gz JNEBANXMIQHNTI-JGVFFNPUSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603874339 1169419001 /nfs/dbraw/zinc/41/90/01/1169419001.db2.gz JNEBANXMIQHNTI-JGVFFNPUSA-N -1 1 304.310 0.186 20 0 DCADMM C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603896291 1169425477 /nfs/dbraw/zinc/42/54/77/1169425477.db2.gz PECMEFQMRBJVSF-SECBINFHSA-N -1 1 315.337 0.601 20 0 DCADMM C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603896291 1169425482 /nfs/dbraw/zinc/42/54/82/1169425482.db2.gz PECMEFQMRBJVSF-SECBINFHSA-N -1 1 315.337 0.601 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)Cc2c[nH]nc21 ZINC001603926501 1169437331 /nfs/dbraw/zinc/43/73/31/1169437331.db2.gz FVXSYGWRJXDIEZ-MRVPVSSYSA-N -1 1 310.321 0.744 20 0 DCADMM C[C@@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@@H](C)S1(=O)=O ZINC001603940331 1169447228 /nfs/dbraw/zinc/44/72/28/1169447228.db2.gz HAIWKWOWBUOELA-RKDXNWHRSA-N -1 1 308.367 0.274 20 0 DCADMM C[C@@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@@H](C)S1(=O)=O ZINC001603940331 1169447234 /nfs/dbraw/zinc/44/72/34/1169447234.db2.gz HAIWKWOWBUOELA-RKDXNWHRSA-N -1 1 308.367 0.274 20 0 DCADMM C[C@H]1OCC[C@H]1COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603955743 1169451876 /nfs/dbraw/zinc/45/18/76/1169451876.db2.gz QRCVIQWPBWKKAM-KOLCDFICSA-N -1 1 303.322 0.772 20 0 DCADMM C[C@H]1OCC[C@H]1COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603955743 1169451880 /nfs/dbraw/zinc/45/18/80/1169451880.db2.gz QRCVIQWPBWKKAM-KOLCDFICSA-N -1 1 303.322 0.772 20 0 DCADMM C/C=C(\C)C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603958460 1169453851 /nfs/dbraw/zinc/45/38/51/1169453851.db2.gz IXZZJTBCZGPRJK-NAZIUFLLSA-N -1 1 316.369 0.304 20 0 DCADMM CCC(=O)N(CC)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603967816 1169455683 /nfs/dbraw/zinc/45/56/83/1169455683.db2.gz PUCJMEIOBASUDX-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N(CC)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603967816 1169455689 /nfs/dbraw/zinc/45/56/89/1169455689.db2.gz PUCJMEIOBASUDX-SNVBAGLBSA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001603974695 1169461178 /nfs/dbraw/zinc/46/11/78/1169461178.db2.gz VMJADLAHPDLAKB-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001603974695 1169461181 /nfs/dbraw/zinc/46/11/81/1169461181.db2.gz VMJADLAHPDLAKB-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM 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ZINC001605057606 1169799485 /nfs/dbraw/zinc/79/94/85/1169799485.db2.gz ILGUQYSBUHSFEH-NWDGAFQWSA-N -1 1 318.337 0.186 20 0 DCADMM COC[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001605057606 1169799488 /nfs/dbraw/zinc/79/94/88/1169799488.db2.gz ILGUQYSBUHSFEH-NWDGAFQWSA-N -1 1 318.337 0.186 20 0 DCADMM COC[C@@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC001605059720 1169801257 /nfs/dbraw/zinc/80/12/57/1169801257.db2.gz OHCLJYGNTQATNK-SMDDNHRTSA-N -1 1 318.381 0.846 20 0 DCADMM COC[C@@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC001605059720 1169801270 /nfs/dbraw/zinc/80/12/70/1169801270.db2.gz OHCLJYGNTQATNK-SMDDNHRTSA-N -1 1 318.381 0.846 20 0 DCADMM COC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)oc2C)CCO1 ZINC001605072898 1169807196 /nfs/dbraw/zinc/80/71/96/1169807196.db2.gz RPYSKKFTRDWIHA-SECBINFHSA-N -1 1 307.310 0.256 20 0 DCADMM COC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)oc2C)CCO1 ZINC001605072898 1169807203 /nfs/dbraw/zinc/80/72/03/1169807203.db2.gz RPYSKKFTRDWIHA-SECBINFHSA-N -1 1 307.310 0.256 20 0 DCADMM COC[C@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC001605073451 1169807538 /nfs/dbraw/zinc/80/75/38/1169807538.db2.gz BVMQBNLQXGZLAV-PSASIEDQSA-N -1 1 323.378 0.804 20 0 DCADMM COC[C@H]1CCCN(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001605071568 1169808699 /nfs/dbraw/zinc/80/86/99/1169808699.db2.gz GSFMVPRQISCQBA-NSHDSACASA-N -1 1 304.354 0.344 20 0 DCADMM COCCOC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001605109284 1169829914 /nfs/dbraw/zinc/82/99/14/1169829914.db2.gz JZWIDFOBQYJVGC-SNVBAGLBSA-N -1 1 305.342 0.146 20 0 DCADMM COCCOC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001605109284 1169829922 /nfs/dbraw/zinc/82/99/22/1169829922.db2.gz JZWIDFOBQYJVGC-SNVBAGLBSA-N -1 1 305.342 0.146 20 0 DCADMM COCCO[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001605108813 1169829986 /nfs/dbraw/zinc/82/99/86/1169829986.db2.gz XYZWGGVUXCIPHF-JTQLQIEISA-N -1 1 305.342 0.207 20 0 DCADMM COCCO[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001605108813 1169829997 /nfs/dbraw/zinc/82/99/97/1169829997.db2.gz XYZWGGVUXCIPHF-JTQLQIEISA-N -1 1 305.342 0.207 20 0 DCADMM COCCc1nc(COc2ccc(F)nc2-c2nn[n-]n2)no1 ZINC001605123311 1169833404 /nfs/dbraw/zinc/83/34/04/1169833404.db2.gz MSBVUMXCSKCGNA-UHFFFAOYSA-N -1 1 321.272 0.552 20 0 DCADMM COC[C@H]1C[C@@H](O)CN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001605128896 1169836844 /nfs/dbraw/zinc/83/68/44/1169836844.db2.gz CWMCETAFECDWAC-PHDIDXHHSA-N -1 1 316.774 0.563 20 0 DCADMM COCc1ncc2c(n1)CCN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC001605138738 1169840527 /nfs/dbraw/zinc/84/05/27/1169840527.db2.gz ZPVJBTVQUIHZNO-UHFFFAOYSA-N -1 1 324.348 0.761 20 0 DCADMM COCc1ncc2c(n1)CCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001605138738 1169840540 /nfs/dbraw/zinc/84/05/40/1169840540.db2.gz ZPVJBTVQUIHZNO-UHFFFAOYSA-N -1 1 324.348 0.761 20 0 DCADMM COc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c(OC)c1 ZINC001605261067 1169883287 /nfs/dbraw/zinc/88/32/87/1169883287.db2.gz XRXMIESJFNMILF-UHFFFAOYSA-N -1 1 315.293 0.859 20 0 DCADMM COc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001605293432 1169889700 /nfs/dbraw/zinc/88/97/00/1169889700.db2.gz ISOSUGMIDWRBMN-UHFFFAOYSA-N -1 1 311.305 0.847 20 0 DCADMM COc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001605293432 1169889706 /nfs/dbraw/zinc/88/97/06/1169889706.db2.gz ISOSUGMIDWRBMN-UHFFFAOYSA-N -1 1 311.305 0.847 20 0 DCADMM COc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001605317718 1169893309 /nfs/dbraw/zinc/89/33/09/1169893309.db2.gz CFSVNOHLWQQOIY-UHFFFAOYSA-N -1 1 300.278 0.793 20 0 DCADMM COc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001605317718 1169893315 /nfs/dbraw/zinc/89/33/15/1169893315.db2.gz CFSVNOHLWQQOIY-UHFFFAOYSA-N -1 1 300.278 0.793 20 0 DCADMM COc1cccc([C@@H](O)C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001605315227 1169893766 /nfs/dbraw/zinc/89/37/66/1169893766.db2.gz NNXWKVJFAQJHRP-SNVBAGLBSA-N -1 1 315.293 0.271 20 0 DCADMM COc1cccc([C@@H](O)C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001605315227 1169893770 /nfs/dbraw/zinc/89/37/70/1169893770.db2.gz NNXWKVJFAQJHRP-SNVBAGLBSA-N -1 1 315.293 0.271 20 0 DCADMM COc1ncc(NC(=O)[C@@H]2CCO[C@H]2C)cc1-c1nn[n-]n1 ZINC001605347451 1169897778 /nfs/dbraw/zinc/89/77/78/1169897778.db2.gz IUXJQFRRDMZGBK-IONNQARKSA-N -1 1 304.310 0.634 20 0 DCADMM COc1cnc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001605339759 1169897912 /nfs/dbraw/zinc/89/79/12/1169897912.db2.gz KVQDJTWHLZWZHR-UHFFFAOYSA-N -1 1 312.293 0.337 20 0 DCADMM COc1ncc(NC(=O)N2CC[C@H](F)C2)cc1-c1nn[n-]n1 ZINC001605347600 1169900542 /nfs/dbraw/zinc/90/05/42/1169900542.db2.gz OZCTWZVGPXHDTE-ZETCQYMHSA-N -1 1 307.289 0.846 20 0 DCADMM C[S@](=O)CCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001605363087 1169904507 /nfs/dbraw/zinc/90/45/07/1169904507.db2.gz PDLFRYQMBQOZDO-NRFANRHFSA-N -1 1 307.383 0.715 20 0 DCADMM C[S@](=O)CCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001605363087 1169904513 /nfs/dbraw/zinc/90/45/13/1169904513.db2.gz PDLFRYQMBQOZDO-NRFANRHFSA-N -1 1 307.383 0.715 20 0 DCADMM C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001605361997 1169904611 /nfs/dbraw/zinc/90/46/11/1169904611.db2.gz BRBUPDYIRQXLAO-UWVJKVLLSA-N -1 1 309.351 0.489 20 0 DCADMM C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001605361997 1169904615 /nfs/dbraw/zinc/90/46/15/1169904615.db2.gz BRBUPDYIRQXLAO-UWVJKVLLSA-N -1 1 309.351 0.489 20 0 DCADMM CCCc1n[nH]c(-c2nnc(N3CC[C@@H](C(=O)[O-])C3)n2C)n1 ZINC001605378392 1169908523 /nfs/dbraw/zinc/90/85/23/1169908523.db2.gz CAJAVIJQZFANLZ-MRVPVSSYSA-N -1 1 305.342 0.464 20 0 DCADMM CCCc1nnc(-c2nnc(N3CC[C@@H](C(=O)[O-])C3)n2C)[nH]1 ZINC001605378392 1169908527 /nfs/dbraw/zinc/90/85/27/1169908527.db2.gz CAJAVIJQZFANLZ-MRVPVSSYSA-N -1 1 305.342 0.464 20 0 DCADMM CCCn1nccc1NC(=O)CN1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001605390549 1169909417 /nfs/dbraw/zinc/90/94/17/1169909417.db2.gz HBRBQMAZWRVEFY-LBPRGKRZSA-N -1 1 323.397 0.180 20 0 DCADMM CCN(CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC)C1CC1 ZINC001605411526 1169913972 /nfs/dbraw/zinc/91/39/72/1169913972.db2.gz OTQHOWYMNNIUOQ-CMPLNLGQSA-N -1 1 312.366 0.336 20 0 DCADMM CCN(CC(=O)N[C@H](CCC1OCCO1)C(=O)[O-])C1CC1 ZINC001605414109 1169916122 /nfs/dbraw/zinc/91/61/22/1169916122.db2.gz XSNOBYZTUVILAB-LLVKDONJSA-N -1 1 300.355 0.193 20 0 DCADMM CCN(CCC(=O)NCC(=O)[O-])CC(=O)N1CCCCCC1 ZINC001605438787 1169921621 /nfs/dbraw/zinc/92/16/21/1169921621.db2.gz OQIOQHQOGFBOFO-UHFFFAOYSA-N -1 1 313.398 0.302 20 0 DCADMM CCN1CCN(C2CN(C(=O)c3ccc(C(=O)[O-])o3)C2)CC1 ZINC001605479487 1169935080 /nfs/dbraw/zinc/93/50/80/1169935080.db2.gz BNEDTWPQAXZBSI-UHFFFAOYSA-N -1 1 307.350 0.440 20 0 DCADMM CCN1[C@H](C)C[N@H+]([C@H]2CCCN(CCC(=O)[O-])C2=O)C[C@@H]1C ZINC001605487444 1169938029 /nfs/dbraw/zinc/93/80/29/1169938029.db2.gz ODSMAOFPPUMLQV-MJBXVCDLSA-N -1 1 311.426 0.867 20 0 DCADMM CCOC(=O)CC[C@H]1CCCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC001605538483 1169952877 /nfs/dbraw/zinc/95/28/77/1169952877.db2.gz WWOMMNBFLFJFDB-NWDGAFQWSA-N -1 1 314.382 0.631 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)S(=O)[C@H](C)C2)c1 ZINC001605557811 1169959110 /nfs/dbraw/zinc/95/91/10/1169959110.db2.gz OFKMHAMWKMLJRO-NXEZZACHSA-N -1 1 306.395 0.916 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)S(=O)[C@H](C)C2)c1 ZINC001605557811 1169959120 /nfs/dbraw/zinc/95/91/20/1169959120.db2.gz OFKMHAMWKMLJRO-NXEZZACHSA-N -1 1 306.395 0.916 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)C2(S(C)(=O)=O)CC2)n1 ZINC001605567900 1169963132 /nfs/dbraw/zinc/96/31/32/1169963132.db2.gz VCWHIHAITUXJBZ-MRVPVSSYSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)C2(S(C)(=O)=O)CC2)n1 ZINC001605567900 1169963138 /nfs/dbraw/zinc/96/31/38/1169963138.db2.gz VCWHIHAITUXJBZ-MRVPVSSYSA-N -1 1 323.382 0.343 20 0 DCADMM CCOCCOCC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001605638997 1169980169 /nfs/dbraw/zinc/98/01/69/1169980169.db2.gz XHMLFQIDHZYYMK-GFCCVEGCSA-N -1 1 302.371 0.047 20 0 DCADMM CCOc1ccc(CN2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)nc1 ZINC001605690379 1169985271 /nfs/dbraw/zinc/98/52/71/1169985271.db2.gz KHZBWHBMVWOPJU-OLZOCXBDSA-N -1 1 308.334 0.786 20 0 DCADMM Cc1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001605722993 1169993091 /nfs/dbraw/zinc/99/30/91/1169993091.db2.gz DWWVATSHIGVDOD-ABAIWWIYSA-N -1 1 316.365 0.742 20 0 DCADMM Cc1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001605722993 1169993094 /nfs/dbraw/zinc/99/30/94/1169993094.db2.gz DWWVATSHIGVDOD-ABAIWWIYSA-N -1 1 316.365 0.742 20 0 DCADMM Cc1cc(N[C@H]2CC[C@H](C)S(=O)(=O)C2)cc(-c2nnn[n-]2)n1 ZINC001605722543 1169993128 /nfs/dbraw/zinc/99/31/28/1169993128.db2.gz DOPRBQLBTQQDMS-UWVGGRQHSA-N -1 1 322.394 0.370 20 0 DCADMM Cc1cc(N[C@H]2CC[C@H](C)S(=O)(=O)C2)cc(-c2nn[n-]n2)n1 ZINC001605722543 1169993131 /nfs/dbraw/zinc/99/31/31/1169993131.db2.gz DOPRBQLBTQQDMS-UWVGGRQHSA-N -1 1 322.394 0.370 20 0 DCADMM CCc1[nH]c(C(=O)N[C@H](COC)c2nn[nH]n2)c(C)c1C(=O)[O-] ZINC001605764862 1169998003 /nfs/dbraw/zinc/99/80/03/1169998003.db2.gz CMLUVRGHKFPYBK-MRVPVSSYSA-N -1 1 322.325 0.214 20 0 DCADMM CCc1[nH]c(CNC2(C(=O)NCCOC)CC2)cc1C(=O)[O-] ZINC001605774137 1169999736 /nfs/dbraw/zinc/99/97/36/1169999736.db2.gz KRZOOXVNMPCJRU-UHFFFAOYSA-N -1 1 309.366 0.660 20 0 DCADMM Cc1ccc(OCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001605877528 1170019015 /nfs/dbraw/zinc/01/90/15/1170019015.db2.gz BDOAQCCCGIPPJY-UHFFFAOYSA-N -1 1 313.321 0.926 20 0 DCADMM Cc1ccc(OCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001605877528 1170019020 /nfs/dbraw/zinc/01/90/20/1170019020.db2.gz BDOAQCCCGIPPJY-UHFFFAOYSA-N -1 1 313.321 0.926 20 0 DCADMM CCn1ccnc1CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001605931711 1170029058 /nfs/dbraw/zinc/02/90/58/1170029058.db2.gz YIYLWQDVSWAHFL-OAHLLOKOSA-N -1 1 308.382 0.264 20 0 DCADMM Cc1[nH]nc(NC(=O)c2c(C)cc[nH]c2=O)c1-c1nn[n-]n1 ZINC001605959176 1170037995 /nfs/dbraw/zinc/03/79/95/1170037995.db2.gz AWMWXQDEAQMEJF-UHFFFAOYSA-N -1 1 300.282 0.560 20 0 DCADMM Cc1n[nH]cc1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001606014641 1170048498 /nfs/dbraw/zinc/04/84/98/1170048498.db2.gz PIVSITBOAIUXQM-UHFFFAOYSA-N -1 1 301.285 0.967 20 0 DCADMM CN(C)[C@H](CNC(=O)NCCOCC(=O)[O-])c1ccsc1 ZINC001606012247 1170048880 /nfs/dbraw/zinc/04/88/80/1170048880.db2.gz POKBVIDJUXAUMM-LLVKDONJSA-N -1 1 315.395 0.751 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC3(CC2)COCCO3)n1 ZINC001606019777 1170053212 /nfs/dbraw/zinc/05/32/12/1170053212.db2.gz LUYCUZRYKBUICK-UHFFFAOYSA-N -1 1 317.353 0.351 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC3(CC2)COCCO3)n1 ZINC001606019777 1170053214 /nfs/dbraw/zinc/05/32/14/1170053214.db2.gz LUYCUZRYKBUICK-UHFFFAOYSA-N -1 1 317.353 0.351 20 0 DCADMM CN(C)C[C@H]1CCCCN1S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001606022796 1170055480 /nfs/dbraw/zinc/05/54/80/1170055480.db2.gz SACRRVSWLJEKEI-LLVKDONJSA-N -1 1 304.412 0.597 20 0 DCADMM CN(C)Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cn1 ZINC001606033746 1170059987 /nfs/dbraw/zinc/05/99/87/1170059987.db2.gz JZEFYDFVWGSFPD-AWEZNQCLSA-N -1 1 309.391 0.833 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606107062 1170077583 /nfs/dbraw/zinc/07/75/83/1170077583.db2.gz KAWIDSWYNXAFJU-ZCFIWIBFSA-N -1 1 315.341 0.682 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606107062 1170077590 /nfs/dbraw/zinc/07/75/90/1170077590.db2.gz KAWIDSWYNXAFJU-ZCFIWIBFSA-N -1 1 315.341 0.682 20 0 DCADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606114140 1170079343 /nfs/dbraw/zinc/07/93/43/1170079343.db2.gz SGBDYQHGRASPAP-MRVPVSSYSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606114140 1170079349 /nfs/dbraw/zinc/07/93/49/1170079349.db2.gz SGBDYQHGRASPAP-MRVPVSSYSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1nn(CC[C@H]2CCCCO2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114435 1170079403 /nfs/dbraw/zinc/07/94/03/1170079403.db2.gz OJHMBHLBEORIGV-LLVKDONJSA-N -1 1 304.354 0.999 20 0 DCADMM CN(CCN1CCCC1)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001606127250 1170086270 /nfs/dbraw/zinc/08/62/70/1170086270.db2.gz NRRJEDLFRIKAJK-OLZOCXBDSA-N -1 1 318.439 0.987 20 0 DCADMM Cc1noc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001606128142 1170086545 /nfs/dbraw/zinc/08/65/45/1170086545.db2.gz RMOXNUGLQGSXMB-YFKPBYRVSA-N -1 1 303.282 0.951 20 0 DCADMM Cc1noc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001606128142 1170086548 /nfs/dbraw/zinc/08/65/48/1170086548.db2.gz RMOXNUGLQGSXMB-YFKPBYRVSA-N -1 1 303.282 0.951 20 0 DCADMM Cc1nsc(N(C)C(=O)[C@@H]2CC(=O)N(C)C2)c1-c1nnn[n-]1 ZINC001606139193 1170092690 /nfs/dbraw/zinc/09/26/90/1170092690.db2.gz FIUOXAYXHXZNSR-SSDOTTSWSA-N -1 1 321.366 0.073 20 0 DCADMM Cc1nsc(N(C)C(=O)[C@@H]2CC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC001606139193 1170092694 /nfs/dbraw/zinc/09/26/94/1170092694.db2.gz FIUOXAYXHXZNSR-SSDOTTSWSA-N -1 1 321.366 0.073 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1-c1nnn[n-]1 ZINC001606151501 1170096250 /nfs/dbraw/zinc/09/62/50/1170096250.db2.gz VASXUJMSUMERME-OLQVQODUSA-N -1 1 322.354 0.017 20 0 DCADMM Cc1nsc(NC(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1-c1nn[n-]n1 ZINC001606151501 1170096255 /nfs/dbraw/zinc/09/62/55/1170096255.db2.gz VASXUJMSUMERME-OLQVQODUSA-N -1 1 322.354 0.017 20 0 DCADMM Cc1nsc(NCCNC(=O)c2ccn[nH]2)c1-c1nn[n-]n1 ZINC001606161425 1170098312 /nfs/dbraw/zinc/09/83/12/1170098312.db2.gz ORDWLYSRXARREI-UHFFFAOYSA-N -1 1 319.354 0.197 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cnn(C)c1C ZINC001606168120 1170099912 /nfs/dbraw/zinc/09/99/12/1170099912.db2.gz AETZSSKAYQXVIW-UHFFFAOYSA-N -1 1 301.310 0.740 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cnn(C)c1C ZINC001606168120 1170099918 /nfs/dbraw/zinc/09/99/18/1170099918.db2.gz AETZSSKAYQXVIW-UHFFFAOYSA-N -1 1 301.310 0.740 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)N1CCCC1 ZINC001606169177 1170100493 /nfs/dbraw/zinc/10/04/93/1170100493.db2.gz DKJHIFLSKIJFQG-UHFFFAOYSA-N -1 1 305.294 0.547 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)N1CCCC1 ZINC001606169177 1170100494 /nfs/dbraw/zinc/10/04/94/1170100494.db2.gz DKJHIFLSKIJFQG-UHFFFAOYSA-N -1 1 305.294 0.547 20 0 DCADMM CN1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001606206663 1170112346 /nfs/dbraw/zinc/11/23/46/1170112346.db2.gz YCCWMVLLAUSIDK-IAQYHMDHSA-N -1 1 310.325 0.595 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@@]2(C)CCCCO2)c(-c2nn[n-]n2)c1=O ZINC001606205900 1170113229 /nfs/dbraw/zinc/11/32/29/1170113229.db2.gz MMOQDXGGJBXKBI-CYBMUJFWSA-N -1 1 321.341 0.037 20 0 DCADMM CN1C[C@H]2CCN(S(=O)(=O)Cc3ccccc3C(=O)[O-])[C@H]2C1 ZINC001606207963 1170113938 /nfs/dbraw/zinc/11/39/38/1170113938.db2.gz BQNGVQNGSPLCOP-RISCZKNCSA-N -1 1 324.402 0.851 20 0 DCADMM CN1CCN(C(=O)C(=O)Nc2ccsc2)C[C@@H](C(=O)[O-])C1 ZINC001606228440 1170126077 /nfs/dbraw/zinc/12/60/77/1170126077.db2.gz IQBVQUKFTIPRBQ-VIFPVBQESA-N -1 1 311.363 0.161 20 0 DCADMM Cn1cc(C=CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001606237295 1170130471 /nfs/dbraw/zinc/13/04/71/1170130471.db2.gz KGGKORFCUDERMQ-IHWYPQMZSA-N -1 1 310.321 0.325 20 0 DCADMM Cn1cc(C=CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001606237295 1170130474 /nfs/dbraw/zinc/13/04/74/1170130474.db2.gz KGGKORFCUDERMQ-IHWYPQMZSA-N -1 1 310.321 0.325 20 0 DCADMM CN1CCN(c2cc(C(=O)N3CC(C)(C(=O)[O-])C3)ccn2)CC1 ZINC001606245352 1170136087 /nfs/dbraw/zinc/13/60/87/1170136087.db2.gz CXYKWEXJGRLFNJ-UHFFFAOYSA-N -1 1 318.377 0.380 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001606266018 1170141160 /nfs/dbraw/zinc/14/11/60/1170141160.db2.gz XGUSEGVOIVQVLM-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cnnc1[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001606266018 1170141165 /nfs/dbraw/zinc/14/11/65/1170141165.db2.gz XGUSEGVOIVQVLM-VIFPVBQESA-N -1 1 312.341 0.169 20 0 DCADMM Cn1cncc1[C@H](CO)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001606264072 1170141445 /nfs/dbraw/zinc/14/14/45/1170141445.db2.gz OFBQONGBHZDBPK-QMMMGPOBSA-N -1 1 319.350 0.125 20 0 DCADMM CNC(=O)Cc1noc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)n1 ZINC001606277109 1170145967 /nfs/dbraw/zinc/14/59/67/1170145967.db2.gz BIURRFSXOPMCAW-DCAQKATOSA-N -1 1 322.365 0.433 20 0 DCADMM CNC(=O)Nc1cccc(C(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001606281154 1170147927 /nfs/dbraw/zinc/14/79/27/1170147927.db2.gz PTGORXUPGHGSQL-UHFFFAOYSA-N -1 1 320.349 0.280 20 0 DCADMM Cn1nnc2c1ncnc2NCc1ccc(-c2nn[n-]n2)s1 ZINC001606283014 1170148227 /nfs/dbraw/zinc/14/82/27/1170148227.db2.gz ICBUYBJDJRZEOC-UHFFFAOYSA-N -1 1 314.338 0.612 20 0 DCADMM COC(=O)[C@H](CCC(=O)[O-])N1CCC[C@H](CCC(N)=O)C1 ZINC001606334528 1170162374 /nfs/dbraw/zinc/16/23/74/1170162374.db2.gz YPOYTQIPHJIVLQ-MNOVXSKESA-N -1 1 300.355 0.370 20 0 DCADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1Cc1n[nH]c(C(C)C)n1 ZINC001606374701 1170173842 /nfs/dbraw/zinc/17/38/42/1170173842.db2.gz HIWDXOIBVBGVIN-UWVGGRQHSA-N -1 1 310.354 0.766 20 0 DCADMM COC(=O)[C@@H]1CCN(CC(=O)NCCC(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001606409349 1170188285 /nfs/dbraw/zinc/18/82/85/1170188285.db2.gz GAMDHPQBCZCLMD-QJPTWQEYSA-N -1 1 312.366 0.241 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001606444933 1170204229 /nfs/dbraw/zinc/20/42/29/1170204229.db2.gz IAYLWIBBCUGAKC-PSASIEDQSA-N -1 1 303.326 0.633 20 0 DCADMM COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccnc(C(=O)[O-])c1 ZINC001606505945 1170223114 /nfs/dbraw/zinc/22/31/14/1170223114.db2.gz PCUGUMHRKLTBHO-LLVKDONJSA-N -1 1 318.289 0.017 20 0 DCADMM O=C(CCc1ncccn1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001606535538 1170229215 /nfs/dbraw/zinc/22/92/15/1170229215.db2.gz VEUXJOTWNNWVRU-UHFFFAOYSA-N -1 1 310.321 0.301 20 0 DCADMM O=C(CCc1ncccn1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001606535538 1170229216 /nfs/dbraw/zinc/22/92/16/1170229216.db2.gz VEUXJOTWNNWVRU-UHFFFAOYSA-N -1 1 310.321 0.301 20 0 DCADMM COC(=O)c1cc(CN2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)[nH]c1C ZINC001606542317 1170232534 /nfs/dbraw/zinc/23/25/34/1170232534.db2.gz WMIUTTWJUYGRBG-NWDGAFQWSA-N -1 1 324.333 0.415 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]1C(F)(F)F ZINC001606593931 1170238952 /nfs/dbraw/zinc/23/89/52/1170238952.db2.gz AMIHOKUZRCOWEJ-SECBINFHSA-N -1 1 312.255 0.967 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]1C(F)(F)F ZINC001606593931 1170238960 /nfs/dbraw/zinc/23/89/60/1170238960.db2.gz AMIHOKUZRCOWEJ-SECBINFHSA-N -1 1 312.255 0.967 20 0 DCADMM O=C(Cc1ccc2c(c1)CCO2)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606599680 1170240204 /nfs/dbraw/zinc/24/02/04/1170240204.db2.gz CYNAENUDMSPTPP-UHFFFAOYSA-N -1 1 311.305 0.706 20 0 DCADMM O=C(Cc1ccc2c(c1)CCO2)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606599680 1170240213 /nfs/dbraw/zinc/24/02/13/1170240213.db2.gz CYNAENUDMSPTPP-UHFFFAOYSA-N -1 1 311.305 0.706 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(F)cc1F ZINC001606620188 1170245728 /nfs/dbraw/zinc/24/57/28/1170245728.db2.gz GASIVJKWAOFVRY-UHFFFAOYSA-N -1 1 320.263 0.053 20 0 DCADMM O=C(N[C@@H]1COC2(CCC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606689390 1170262894 /nfs/dbraw/zinc/26/28/94/1170262894.db2.gz SNNBYMGPABITIB-JTQLQIEISA-N -1 1 300.322 0.703 20 0 DCADMM O=C(N[C@@H]1COC2(CCC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606689390 1170262903 /nfs/dbraw/zinc/26/29/03/1170262903.db2.gz SNNBYMGPABITIB-JTQLQIEISA-N -1 1 300.322 0.703 20 0 DCADMM CO[C@]1(C(=O)[O-])CCN(C(=O)c2n[nH]cc2Br)C1 ZINC001606700208 1170266115 /nfs/dbraw/zinc/26/61/15/1170266115.db2.gz PTRNRMYGHAEWOQ-SNVBAGLBSA-N -1 1 318.127 0.488 20 0 DCADMM O=C(NCC[C@H](O)C(F)(F)F)c1ccsc1-c1nnn[n-]1 ZINC001606753225 1170279819 /nfs/dbraw/zinc/27/98/19/1170279819.db2.gz TWKVEGZEDFLHIE-LURJTMIESA-N -1 1 321.284 0.971 20 0 DCADMM O=C(NCC[C@H](O)C(F)(F)F)c1ccsc1-c1nn[n-]n1 ZINC001606753225 1170279824 /nfs/dbraw/zinc/27/98/24/1170279824.db2.gz TWKVEGZEDFLHIE-LURJTMIESA-N -1 1 321.284 0.971 20 0 DCADMM CO[C@@H]1CN(C(=O)[C@H](N)Cc2ccccn2)[C@](C)(C(=O)[O-])C1 ZINC001606765697 1170282284 /nfs/dbraw/zinc/28/22/84/1170282284.db2.gz UDYMPYPQHVCTKG-ZOWXZIJZSA-N -1 1 307.350 0.042 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC1(CO)CCC1 ZINC001606830602 1170305233 /nfs/dbraw/zinc/30/52/33/1170305233.db2.gz HTALLSFHMYYCTG-UHFFFAOYSA-N -1 1 308.367 0.642 20 0 DCADMM O=C(NN1CCCC1=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606850951 1170313891 /nfs/dbraw/zinc/31/38/91/1170313891.db2.gz URRHRZAIDRQFNT-UHFFFAOYSA-N -1 1 311.305 0.615 20 0 DCADMM COCCCn1ccc(NS(=O)(=O)CC(C)(C)C(=O)[O-])n1 ZINC001606878467 1170320536 /nfs/dbraw/zinc/32/05/36/1170320536.db2.gz ZVVLKUHZOHMJRH-UHFFFAOYSA-N -1 1 319.383 0.772 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(CO)c(F)c1 ZINC001606892968 1170324221 /nfs/dbraw/zinc/32/42/21/1170324221.db2.gz BYBVUUIBNANRAF-UHFFFAOYSA-N -1 1 303.257 0.474 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(CO)c(F)c1 ZINC001606892968 1170324234 /nfs/dbraw/zinc/32/42/34/1170324234.db2.gz BYBVUUIBNANRAF-UHFFFAOYSA-N -1 1 303.257 0.474 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cc(=O)cc[nH]1 ZINC001606892254 1170324912 /nfs/dbraw/zinc/32/49/12/1170324912.db2.gz CYGREYDDUXLOSK-UHFFFAOYSA-N -1 1 312.293 0.408 20 0 DCADMM COCCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)[O-])O2)C1 ZINC001606895497 1170326516 /nfs/dbraw/zinc/32/65/16/1170326516.db2.gz NULZVKBOBUHUHQ-RNJOBUHISA-N -1 1 314.382 0.092 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc2cccnc2n1 ZINC001606945545 1170336675 /nfs/dbraw/zinc/33/66/75/1170336675.db2.gz IIURWMUGQCPWQQ-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(OCc1ncnn1CCF)c1ccnc(-c2nnn[n-]2)c1 ZINC001606987326 1170347032 /nfs/dbraw/zinc/34/70/32/1170347032.db2.gz JCRBDPFWBQILTJ-UHFFFAOYSA-N -1 1 318.272 0.180 20 0 DCADMM O=C(OCc1ncnn1CCF)c1ccnc(-c2nn[n-]n2)c1 ZINC001606987326 1170347039 /nfs/dbraw/zinc/34/70/39/1170347039.db2.gz JCRBDPFWBQILTJ-UHFFFAOYSA-N -1 1 318.272 0.180 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCN([C@@H]2CCOC2)CC1 ZINC001607017606 1170355747 /nfs/dbraw/zinc/35/57/47/1170355747.db2.gz YWFBFPNARFJSGQ-SNVBAGLBSA-N -1 1 318.337 0.006 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCN([C@@H]2CCOC2)CC1 ZINC001607017606 1170355750 /nfs/dbraw/zinc/35/57/50/1170355750.db2.gz YWFBFPNARFJSGQ-SNVBAGLBSA-N -1 1 318.337 0.006 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](C(F)F)CC1 ZINC001607017153 1170356776 /nfs/dbraw/zinc/35/67/76/1170356776.db2.gz MAESVLLJHDLOLC-SNVBAGLBSA-N -1 1 324.291 0.758 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](C(F)F)CC1 ZINC001607017153 1170356780 /nfs/dbraw/zinc/35/67/80/1170356780.db2.gz MAESVLLJHDLOLC-SNVBAGLBSA-N -1 1 324.291 0.758 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCOC[C@@H]1CC(F)F ZINC001607017366 1170357063 /nfs/dbraw/zinc/35/70/63/1170357063.db2.gz RUTOFSBZYHNKFH-ZETCQYMHSA-N -1 1 313.264 0.956 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCOC[C@@H]1CC(F)F ZINC001607017366 1170357071 /nfs/dbraw/zinc/35/70/71/1170357071.db2.gz RUTOFSBZYHNKFH-ZETCQYMHSA-N -1 1 313.264 0.956 20 0 DCADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1C[C@@H]2C[C@]2(CO)C1 ZINC001607022335 1170358019 /nfs/dbraw/zinc/35/80/19/1170358019.db2.gz MPVCAVWOXZOQPF-RMLUDKJBSA-N -1 1 303.297 0.460 20 0 DCADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1C[C@@H]2C[C@]2(CO)C1 ZINC001607022335 1170358024 /nfs/dbraw/zinc/35/80/24/1170358024.db2.gz MPVCAVWOXZOQPF-RMLUDKJBSA-N -1 1 303.297 0.460 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCO[C@@H](C(F)F)CC1 ZINC001607021826 1170358064 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O=C1Nc2ccccc2C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001607052156 1170370083 /nfs/dbraw/zinc/37/00/83/1170370083.db2.gz GMXXUYLQSGBXSW-JTQLQIEISA-N -1 1 308.305 0.632 20 0 DCADMM O=C1Nc2ccccc2C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001607052156 1170370090 /nfs/dbraw/zinc/37/00/90/1170370090.db2.gz GMXXUYLQSGBXSW-JTQLQIEISA-N -1 1 308.305 0.632 20 0 DCADMM O=S(=O)(NCc1nc(-c2nnn[n-]2)cs1)c1ccco1 ZINC001607067083 1170375862 /nfs/dbraw/zinc/37/58/62/1170375862.db2.gz VHKKERYBKVCKTL-UHFFFAOYSA-N -1 1 312.336 0.395 20 0 DCADMM O=S(=O)(NCc1nc(-c2nn[n-]n2)cs1)c1ccco1 ZINC001607067083 1170375871 /nfs/dbraw/zinc/37/58/71/1170375871.db2.gz VHKKERYBKVCKTL-UHFFFAOYSA-N -1 1 312.336 0.395 20 0 DCADMM O=S(=O)(NCc1ccc(-c2nn[n-]n2)s1)c1cccnc1 ZINC001607067334 1170379361 /nfs/dbraw/zinc/37/93/61/1170379361.db2.gz MKLICLBEEXEMFS-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM O=[S@](CCNc1cncc(-c2nnn[n-]2)n1)CC(F)(F)F ZINC001607073151 1170381048 /nfs/dbraw/zinc/38/10/48/1170381048.db2.gz FXCOWKOFSRKNFR-OAQYLSRUSA-N -1 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/nfs/dbraw/zinc/79/37/20/1176793720.db2.gz KMANNJSOMPSBPQ-IHWYPQMZSA-N -1 1 316.317 0.800 20 0 DCADMM CCOCCCC(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001689579320 1176960816 /nfs/dbraw/zinc/96/08/16/1176960816.db2.gz VKERSZBPJXSACY-UHFFFAOYSA-N -1 1 321.377 0.983 20 0 DCADMM Cn1cccc1C(=O)NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001689975809 1177133663 /nfs/dbraw/zinc/13/36/63/1177133663.db2.gz MHTUKEXJVDMRMQ-UHFFFAOYSA-N -1 1 318.381 0.633 20 0 DCADMM C[C@H]1OCC[C@@H]1C(=O)NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001690010633 1177141316 /nfs/dbraw/zinc/14/13/16/1177141316.db2.gz NHFINRDOUPSLIK-PWSUYJOCSA-N -1 1 323.397 0.406 20 0 DCADMM CC/C(C)=C\C(=O)N(CC)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001698580793 1177567886 /nfs/dbraw/zinc/56/78/86/1177567886.db2.gz HNRYIBJFQAUCMI-KIWPFMIBSA-N -1 1 321.425 0.888 20 0 DCADMM CC(C)(C)C(=O)C(=O)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001700051538 1178460747 /nfs/dbraw/zinc/46/07/47/1178460747.db2.gz BWOXZLKCDFHTPY-SNVBAGLBSA-N -1 1 323.397 0.454 20 0 DCADMM COC[C@@H](C)C(=O)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001700054846 1178462807 /nfs/dbraw/zinc/46/28/07/1178462807.db2.gz RLPVJRSJDPGYBG-GHMZBOCLSA-N -1 1 311.386 0.121 20 0 DCADMM C/C=C(\C)C(=O)NCCCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001703341039 1179485634 /nfs/dbraw/zinc/48/56/34/1179485634.db2.gz FDLPAHQVAJVZDZ-XBXARRHUSA-N -1 1 324.337 0.099 20 0 DCADMM CN(CCCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CCCOC1 ZINC001703569466 1179596631 /nfs/dbraw/zinc/59/66/31/1179596631.db2.gz PRBMYVKUMAZQPU-GFCCVEGCSA-N -1 1 321.377 0.792 20 0 DCADMM O=C(C[C@@H]1CCOC1)NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001707475516 1180531548 /nfs/dbraw/zinc/53/15/48/1180531548.db2.gz IXPOKMJTBXBGHL-NSHDSACASA-N -1 1 323.397 0.408 20 0 DCADMM Cn1[n-]c(CN2CC[C@H](CNC(=O)C3(C)CC=CC3)C2)nc1=O ZINC001713536578 1180908613 /nfs/dbraw/zinc/90/86/13/1180908613.db2.gz ZJRGEWMSEDZERU-GFCCVEGCSA-N -1 1 319.409 0.403 20 0 DCADMM CC(C)c1oncc1C(=O)N(C)CCNCc1n[nH]c(=O)[n-]1 ZINC001713649781 1180993824 /nfs/dbraw/zinc/99/38/24/1180993824.db2.gz QSCGGQYYERGWBE-UHFFFAOYSA-N -1 1 308.342 0.484 20 0 DCADMM CCN(CCNC(=O)/C=C/C(C)(C)C)Cc1nc(=O)n(C)[n-]1 ZINC001714578488 1181424396 /nfs/dbraw/zinc/42/43/96/1181424396.db2.gz LMLCRIXAINLGMF-BQYQJAHWSA-N -1 1 309.414 0.649 20 0 DCADMM O=C(c1ncc[nH]1)N1CCC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001715137147 1181699215 /nfs/dbraw/zinc/69/92/15/1181699215.db2.gz LKWJSLUKPFMSBH-JTQLQIEISA-N -1 1 319.369 0.266 20 0 DCADMM CCn1ncc(CNCCCN(C)C(=O)c2ncccc2O)n1 ZINC001716537159 1182429755 /nfs/dbraw/zinc/42/97/55/1182429755.db2.gz BMAITXQMSAAEGG-UHFFFAOYSA-N -1 1 318.381 0.651 20 0 DCADMM CCCOCC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])C[C@@H]1C ZINC001718678563 1183318440 /nfs/dbraw/zinc/31/84/40/1183318440.db2.gz MNWRDSSDRHYPBZ-NWDGAFQWSA-N -1 1 321.377 0.933 20 0 DCADMM COCCCC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001720724145 1183699782 /nfs/dbraw/zinc/69/97/82/1183699782.db2.gz XTFVZGVHEYHAJM-LBPRGKRZSA-N -1 1 321.377 0.838 20 0 DCADMM CCCOCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001721421354 1183939379 /nfs/dbraw/zinc/93/93/79/1183939379.db2.gz LCOIAJFHYZLFKJ-RYUDHWBXSA-N -1 1 319.361 0.639 20 0 DCADMM CC(C)c1nnnn1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000174124097 1183962655 /nfs/dbraw/zinc/96/26/55/1183962655.db2.gz VVMJJYHWIPGLBU-UHFFFAOYSA-N -1 1 304.236 0.572 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](C)NC(=O)C=C(C)C ZINC001721910241 1184103894 /nfs/dbraw/zinc/10/38/94/1184103894.db2.gz TUJZFDUQZZKEPP-MRVPVSSYSA-N -1 1 324.337 0.097 20 0 DCADMM CC(C)OCC(=O)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001724692596 1184524432 /nfs/dbraw/zinc/52/44/32/1184524432.db2.gz AJTHXNKXOQEBSO-LLVKDONJSA-N -1 1 311.386 0.264 20 0 DCADMM CCN(CCNC(=O)[C@@]1(C)C=CCC1)Cc1nc(=O)n(C)[n-]1 ZINC001731809987 1185497534 /nfs/dbraw/zinc/49/75/34/1185497534.db2.gz YOVDEBVHAYGFLP-HNNXBMFYSA-N -1 1 307.398 0.403 20 0 DCADMM Cn1[n-]c(CN(CCNC(=O)[C@@H]2CC=CCC2)C2CC2)nc1=O ZINC001731873213 1185539855 /nfs/dbraw/zinc/53/98/55/1185539855.db2.gz YYWYIHDSONBTTE-GFCCVEGCSA-N -1 1 319.409 0.545 20 0 DCADMM CC(C)=C(C)CC(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001733745006 1186427428 /nfs/dbraw/zinc/42/74/28/1186427428.db2.gz YCEYDLHPVOGVCL-GFCCVEGCSA-N -1 1 323.397 0.574 20 0 DCADMM COCCCCC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001734388419 1186638578 /nfs/dbraw/zinc/63/85/78/1186638578.db2.gz QICHJFSJUDTXKR-WDEREUQCSA-N -1 1 311.386 0.406 20 0 DCADMM CC(C)=C(C)CC(=O)N(C)C[C@@H](O)CNCc1n[nH]c(=O)[n-]1 ZINC001734522621 1186675518 /nfs/dbraw/zinc/67/55/18/1186675518.db2.gz CMJOCNLIXPPLRA-NSHDSACASA-N -1 1 311.386 0.166 20 0 DCADMM C/C(=C/C(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-])C1CC1 ZINC001735257272 1186840757 /nfs/dbraw/zinc/84/07/57/1186840757.db2.gz NRLPWBPPOOMIBZ-UMAGTOLTSA-N -1 1 319.361 0.350 20 0 DCADMM Cc1ccncc1CC(=O)NCCNC(=O)c1ncccc1[O-] ZINC001736724865 1187067059 /nfs/dbraw/zinc/06/70/59/1187067059.db2.gz AXMYHLSXYUUCEF-UHFFFAOYSA-N -1 1 314.345 0.579 20 0 DCADMM O=C(NCCCNC(=O)C1CCOCC1)c1ncccc1[O-] ZINC001736866823 1187145003 /nfs/dbraw/zinc/14/50/03/1187145003.db2.gz FADQOOLZCANJNR-UHFFFAOYSA-N -1 1 307.350 0.450 20 0 DCADMM CCN(CCCNC(=O)c1cn[nH]n1)C(=O)c1ncccc1[O-] ZINC001737274166 1187301592 /nfs/dbraw/zinc/30/15/92/1187301592.db2.gz XKJLFXGGLCXAGG-UHFFFAOYSA-N -1 1 318.337 0.188 20 0 DCADMM O=C(NC/C=C/CNC(=O)c1ncccc1[O-])c1ncc[nH]1 ZINC001738492002 1187571717 /nfs/dbraw/zinc/57/17/17/1187571717.db2.gz HOBQROXXLOIFSX-OWOJBTEDSA-N -1 1 301.306 0.226 20 0 DCADMM COCCCC(=O)N(C)C[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001739769387 1187838396 /nfs/dbraw/zinc/83/83/96/1187838396.db2.gz APHIUIUAMYRVCY-LBPRGKRZSA-N -1 1 321.377 0.887 20 0 DCADMM O=C(NCCCNC(=O)c1ncccc1[O-])c1ncccn1 ZINC001742833951 1188062117 /nfs/dbraw/zinc/06/21/17/1188062117.db2.gz UMZZCAZWNUCWBF-UHFFFAOYSA-N -1 1 301.306 0.127 20 0 DCADMM COCCCCC(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001747763172 1188289434 /nfs/dbraw/zinc/28/94/34/1188289434.db2.gz ZVCRQPSBRGSJSV-UHFFFAOYSA-N -1 1 321.377 0.983 20 0 DCADMM Cn1[n-]c(CN2CC(CNC(=O)C=C3CCCCC3)C2)nc1=O ZINC001753398150 1188583413 /nfs/dbraw/zinc/58/34/13/1188583413.db2.gz YQVPEIIHUZMNDI-UHFFFAOYSA-N -1 1 319.409 0.547 20 0 DCADMM CCn1cc(CNC/C=C\CNC(=O)c2ncccc2[O-])nn1 ZINC001754112686 1188744740 /nfs/dbraw/zinc/74/47/40/1188744740.db2.gz BCMMOVRBSDJOBY-ARJAWSKDSA-N -1 1 316.365 0.474 20 0 DCADMM C[C@@H](CCCNC(=O)c1cn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001756296851 1189327373 /nfs/dbraw/zinc/32/73/73/1189327373.db2.gz ZCUAPXZGELANCY-VIFPVBQESA-N -1 1 318.337 0.234 20 0 DCADMM O=C(C[C@H]1C=CCC1)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001756514386 1189371552 /nfs/dbraw/zinc/37/15/52/1189371552.db2.gz ZEBZJTSGTNFKTC-RYUDHWBXSA-N -1 1 319.361 0.350 20 0 DCADMM Cc1nc(C(=O)NCCNC(=O)c2ncccc2[O-])cs1 ZINC001757966954 1189644410 /nfs/dbraw/zinc/64/44/10/1189644410.db2.gz NEWNITHSMNIYDP-UHFFFAOYSA-N -1 1 306.347 0.712 20 0 DCADMM CCCOCC(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001759879240 1190326674 /nfs/dbraw/zinc/32/66/74/1190326674.db2.gz MANUZGFCDIRWRI-UHFFFAOYSA-N -1 1 307.350 0.592 20 0 DCADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)Cc2ccon2)no1 ZINC001771708435 1190473452 /nfs/dbraw/zinc/47/34/52/1190473452.db2.gz SJHYFKVIVFSFMU-QMMMGPOBSA-N -1 1 316.339 0.775 20 0 DCADMM Nc1nc2nc(CN3CCSC[C@@H]3C3CC3)cc(=O)n2[n-]1 ZINC001771806412 1190506126 /nfs/dbraw/zinc/50/61/26/1190506126.db2.gz ACSRJHFSNGSXMW-SNVBAGLBSA-N -1 1 306.395 0.327 20 0 DCADMM O=C([O-])Cn1cc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)nn1 ZINC001771908818 1190551166 /nfs/dbraw/zinc/55/11/66/1190551166.db2.gz IPPUSPQJZFBFQH-NWANDNLSSA-N -1 1 302.309 0.930 20 0 DCADMM CCN(CC(=O)NCc1c(C)nn(CC(=O)[O-])c1C)C1CC1 ZINC001771918920 1190555330 /nfs/dbraw/zinc/55/53/30/1190555330.db2.gz UEHKXBWBKAXLHS-UHFFFAOYSA-N -1 1 308.382 0.685 20 0 DCADMM Cc1csc(CCNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001771921740 1190557348 /nfs/dbraw/zinc/55/73/48/1190557348.db2.gz XQRISOKJFFJDNP-LLVKDONJSA-N -1 1 311.407 0.907 20 0 DCADMM C[C@@H]1CCN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)C[C@H]1F ZINC001772399640 1190672790 /nfs/dbraw/zinc/67/27/90/1190672790.db2.gz KLDHCHSHAQNLLC-MWLCHTKSSA-N -1 1 320.376 0.976 20 0 DCADMM C[C@@H]1CCN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)C[C@H]1F ZINC001772399640 1190672794 /nfs/dbraw/zinc/67/27/94/1190672794.db2.gz KLDHCHSHAQNLLC-MWLCHTKSSA-N -1 1 320.376 0.976 20 0 DCADMM O=C(N1CC[C@@H](c2nn[n-]n2)C1)C1(c2ccccc2)CC(=O)C1 ZINC001772458067 1190689088 /nfs/dbraw/zinc/68/90/88/1190689088.db2.gz UDYGUFOBXHVPPZ-LLVKDONJSA-N -1 1 311.345 0.817 20 0 DCADMM Cn1cc(Cl)c(C[N-]S(=O)(=O)c2cccnc2C#N)n1 ZINC000393653757 1190701994 /nfs/dbraw/zinc/70/19/94/1190701994.db2.gz GKDVLAQLRFDOKW-UHFFFAOYSA-N -1 1 311.754 0.819 20 0 DCADMM CCC(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001576487124 1164362332 /nfs/dbraw/zinc/36/23/32/1164362332.db2.gz MLEXSSBAYHBEQP-UHFFFAOYSA-N -1 1 315.790 0.939 20 0 DCADMM CCC1(C(=O)N2CC(O)(CNC(=O)c3ncccc3[O-])C2)CC1 ZINC001042716677 751860978 /nfs/dbraw/zinc/86/09/78/751860978.db2.gz XOYKMLSIMQCPCB-UHFFFAOYSA-N -1 1 319.361 0.281 20 0 DCADMM O=C(NCC1(O)CN(C(=O)C2CCCC2)C1)c1ncccc1[O-] ZINC001042716555 751861385 /nfs/dbraw/zinc/86/13/85/751861385.db2.gz SBXYCHXXYVVADM-UHFFFAOYSA-N -1 1 319.361 0.281 20 0 DCADMM CCc1ccc(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)o1 ZINC001043108346 752078361 /nfs/dbraw/zinc/07/83/61/752078361.db2.gz DRLIACNIBRLFSB-UHFFFAOYSA-N -1 1 319.365 0.220 20 0 DCADMM CN(C(=O)[C@@H]1CCC[C@H]2C[C@H]21)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001043154110 752104132 /nfs/dbraw/zinc/10/41/32/752104132.db2.gz LDUNPFYZMNOKOV-CYZMBNFOSA-N -1 1 319.409 0.187 20 0 DCADMM CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1Cc1n[nH]c(=O)[n-]1 ZINC001087325278 747661836 /nfs/dbraw/zinc/66/18/36/747661836.db2.gz ZUAAPPSPSFKJJG-QCNOEVLYSA-N -1 1 305.382 0.589 20 0 DCADMM COCc1nc(CNCCNC(=O)c2ncccc2[O-])cs1 ZINC001126118494 748225714 /nfs/dbraw/zinc/22/57/14/748225714.db2.gz CWHBJZLPNJEZLI-UHFFFAOYSA-N -1 1 322.390 0.910 20 0 DCADMM COc1nscc1CNCCNC(=O)c1ncccc1[O-] ZINC001126124516 748228875 /nfs/dbraw/zinc/22/88/75/748228875.db2.gz BIZDTSGWIGVRDH-UHFFFAOYSA-N -1 1 308.363 0.772 20 0 DCADMM C[C@H](NCCNC(=O)c1ncccc1[O-])c1nnnn1C1CC1 ZINC001126124774 748229646 /nfs/dbraw/zinc/22/96/46/748229646.db2.gz GFKZFHJAQMIVSC-VIFPVBQESA-N -1 1 317.353 0.189 20 0 DCADMM COCc1noc([C@H](C)NCCNC(=O)c2ncccc2[O-])n1 ZINC001126125352 748229978 /nfs/dbraw/zinc/22/99/78/748229978.db2.gz UCKQZEGQTUOKQT-VIFPVBQESA-N -1 1 321.337 0.397 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2CC2(C)C)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087544241 748957495 /nfs/dbraw/zinc/95/74/95/748957495.db2.gz AGRUQOLNCMRYEI-GRYCIOLGSA-N -1 1 321.425 0.624 20 0 DCADMM O=C(CN1CCN(C(=O)c2ncccc2[O-])CC1)NCC1CC1 ZINC001112782113 761916732 /nfs/dbraw/zinc/91/67/32/761916732.db2.gz DUHACURMHPJMAO-UHFFFAOYSA-N -1 1 318.377 0.071 20 0 DCADMM O=C(c1ncccc1[O-])N1CCN(CCOCC(F)F)CC1 ZINC001112782541 761917623 /nfs/dbraw/zinc/91/76/23/761917623.db2.gz ZDWDGRVXSPTMFM-UHFFFAOYSA-N -1 1 315.320 0.827 20 0 DCADMM Cc1noc(CN2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)n1 ZINC001088536359 749559494 /nfs/dbraw/zinc/55/94/94/749559494.db2.gz RCHQGQVJJNXYGH-KOLCDFICSA-N -1 1 317.349 0.871 20 0 DCADMM O=C(Cc1cccs1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044900433 752921641 /nfs/dbraw/zinc/92/16/41/752921641.db2.gz YMGBNOAZWXMYOR-JTQLQIEISA-N -1 1 321.406 0.895 20 0 DCADMM CC[C@@H](SC)C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044996281 752984139 /nfs/dbraw/zinc/98/41/39/752984139.db2.gz AHJVVIVBEVPNRU-VHSXEESVSA-N -1 1 313.427 0.733 20 0 DCADMM Cc1ccc(CC(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)o1 ZINC001045000944 752986431 /nfs/dbraw/zinc/98/64/31/752986431.db2.gz MQXOATLKHWZLSS-NSHDSACASA-N -1 1 319.365 0.735 20 0 DCADMM CCc1cc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)no1 ZINC001045280020 753127421 /nfs/dbraw/zinc/12/74/21/753127421.db2.gz YQCNCNWCPBEQQK-VIFPVBQESA-N -1 1 320.353 0.455 20 0 DCADMM O=C(c1ccoc1)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078332390 753186456 /nfs/dbraw/zinc/18/64/56/753186456.db2.gz NZDBVXXGJLLMIC-LLVKDONJSA-N -1 1 321.337 0.124 20 0 DCADMM O=C(C1CC=CC1)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078363090 753203620 /nfs/dbraw/zinc/20/36/20/753203620.db2.gz DYGJCSVROYUMJP-GFCCVEGCSA-N -1 1 321.381 0.184 20 0 DCADMM O=C(/C=C/C1CC1)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078365890 753205077 /nfs/dbraw/zinc/20/50/77/753205077.db2.gz NMQAFERDPYTGOG-ZYOFXKKJSA-N -1 1 321.381 0.184 20 0 DCADMM O=C(N[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2)c1ccoc1 ZINC001078554297 753290835 /nfs/dbraw/zinc/29/08/35/753290835.db2.gz RSHWSBDEYBOLJU-WDEREUQCSA-N -1 1 317.349 0.934 20 0 DCADMM O=C(N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2)c1cc[nH]c1 ZINC001078633063 753316701 /nfs/dbraw/zinc/31/67/01/753316701.db2.gz YULIUBRHFYHXLK-QWRGUYRKSA-N -1 1 316.365 0.669 20 0 DCADMM O=C(N[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2)c1cnco1 ZINC001078693203 753346838 /nfs/dbraw/zinc/34/68/38/753346838.db2.gz NIZVSEIJKSCIQR-NXEZZACHSA-N -1 1 318.337 0.329 20 0 DCADMM Cc1noc(CN2CC[C@@](C)(NC(=O)c3ncccc3[O-])C2)n1 ZINC001046262505 753599048 /nfs/dbraw/zinc/59/90/48/753599048.db2.gz UUOJANBAZXTMEZ-OAHLLOKOSA-N -1 1 317.349 0.873 20 0 DCADMM CCCCC(=O)NC[C@H]1COCCN1C(=O)c1ncccc1[O-] ZINC001061302955 753741325 /nfs/dbraw/zinc/74/13/25/753741325.db2.gz ZPYOMSSHTZGKIE-LBPRGKRZSA-N -1 1 321.377 0.935 20 0 DCADMM Cn1[n-]c(CN2CC[C@@](C)(NC(=O)[C@H]3CC34CCC4)C2)nc1=O ZINC001046655758 753853810 /nfs/dbraw/zinc/85/38/10/753853810.db2.gz AKKIXTPDBXJSMC-IAQYHMDHSA-N -1 1 319.409 0.379 20 0 DCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2)C1CC=CC1 ZINC001047043061 754071747 /nfs/dbraw/zinc/07/17/47/754071747.db2.gz QGGRXTQPSQRRCZ-UHTWSYAYSA-N -1 1 317.393 0.946 20 0 DCADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)c1ncnc2ccsc21 ZINC001128955136 754388249 /nfs/dbraw/zinc/38/82/49/754388249.db2.gz KKXWXJKKNZVZAX-UHFFFAOYSA-N -1 1 319.350 0.035 20 0 DCADMM O=C(C[C@@H]1CCC(F)(F)C1)NCCNCc1n[nH]c(=O)[n-]1 ZINC001128995762 754456525 /nfs/dbraw/zinc/45/65/25/754456525.db2.gz LVTXTFNFSJTFFR-QMMMGPOBSA-N -1 1 303.313 0.542 20 0 DCADMM CCC[C@@](C)(CC)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001113460542 762308746 /nfs/dbraw/zinc/30/87/46/762308746.db2.gz VWAQLZCBJBJJGB-MRXNPFEDSA-N -1 1 323.441 0.969 20 0 DCADMM CCC[C@H](CC)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001113470150 762312999 /nfs/dbraw/zinc/31/29/99/762312999.db2.gz JTXFTWXTGFMDAK-LBPRGKRZSA-N -1 1 309.414 0.579 20 0 DCADMM CC[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001048285486 754696351 /nfs/dbraw/zinc/69/63/51/754696351.db2.gz PNYVKYLJIIILOZ-GVXVVHGQSA-N -1 1 321.377 0.477 20 0 DCADMM O=C(NCC1(NC(=O)c2ncccc2[O-])CCC1)c1ccn[nH]1 ZINC001062592362 754802429 /nfs/dbraw/zinc/80/24/29/754802429.db2.gz MGCGNKVQFXLKEH-UHFFFAOYSA-N -1 1 315.333 0.593 20 0 DCADMM CCCCC(=O)N1CCO[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001064866291 755547048 /nfs/dbraw/zinc/54/70/48/755547048.db2.gz KVTOBTZITWDURY-GFCCVEGCSA-N -1 1 321.377 0.935 20 0 DCADMM CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1 ZINC001065072541 755670135 /nfs/dbraw/zinc/67/01/35/755670135.db2.gz CRNZVHJFGDXLSL-LLVKDONJSA-N -1 1 321.377 0.791 20 0 DCADMM C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079611135 755924119 /nfs/dbraw/zinc/92/41/19/755924119.db2.gz PIBVCABVPZCJAC-IJLUTSLNSA-N -1 1 318.377 0.116 20 0 DCADMM C[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079610890 755924449 /nfs/dbraw/zinc/92/44/49/755924449.db2.gz FWBJORGYGRLNST-ZYHUDNBSSA-N -1 1 316.365 0.166 20 0 DCADMM CC(C)C(=O)NC1(CO)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001080726211 756317558 /nfs/dbraw/zinc/31/75/58/756317558.db2.gz UMWXQQJQFSGXCV-UHFFFAOYSA-N -1 1 321.377 0.527 20 0 DCADMM CCCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001081174251 756471592 /nfs/dbraw/zinc/47/15/92/756471592.db2.gz CDPHSLYHUVIYPC-JQWIXIFHSA-N -1 1 307.350 0.136 20 0 DCADMM CCCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001081174252 756471719 /nfs/dbraw/zinc/47/17/19/756471719.db2.gz CDPHSLYHUVIYPC-PWSUYJOCSA-N -1 1 307.350 0.136 20 0 DCADMM C[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054540055 756533983 /nfs/dbraw/zinc/53/39/83/756533983.db2.gz JJQBKPCDMYNMJJ-KCJUWKMLSA-N -1 1 320.328 0.295 20 0 DCADMM Cc1cc[nH]c1C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054625124 756580951 /nfs/dbraw/zinc/58/09/51/756580951.db2.gz VUZVFSYLOCESHB-NXEZZACHSA-N -1 1 304.354 0.397 20 0 DCADMM C[C@H]1CN(C(=O)c2ccns2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054701629 756611778 /nfs/dbraw/zinc/61/17/78/756611778.db2.gz LBEMSFBAEPACKE-JGVFFNPUSA-N -1 1 308.367 0.217 20 0 DCADMM O=C(N[C@]1(CO)CCCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001055683701 756862563 /nfs/dbraw/zinc/86/25/63/756862563.db2.gz GDOQBFHQFQKCMN-MRXNPFEDSA-N -1 1 319.361 0.281 20 0 DCADMM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001057283482 757452408 /nfs/dbraw/zinc/45/24/08/757452408.db2.gz UPWSKWLWHRUTMP-LLVKDONJSA-N -1 1 321.377 0.384 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)CCC4CC4)[C@@H]3C2)nc1=O ZINC001084240327 757729048 /nfs/dbraw/zinc/72/90/48/757729048.db2.gz ZZEQGLUXWARHQO-CHWSQXEVSA-N -1 1 319.409 0.331 20 0 DCADMM COC(OC)c1nccnc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170219192 762570053 /nfs/dbraw/zinc/57/00/53/762570053.db2.gz YYBYLYUKAILGAH-UHFFFAOYSA-N -1 1 319.281 0.541 20 0 DCADMM CC[C@@H](F)C(=O)NCCN(CCO)C(=O)c1ncccc1[O-] ZINC001057416051 757746796 /nfs/dbraw/zinc/74/67/96/757746796.db2.gz CEHIGOLKZGHHGW-SNVBAGLBSA-N -1 1 313.329 0.086 20 0 DCADMM Cc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)nc(S(C)(=O)=O)n1 ZINC001170230304 762582228 /nfs/dbraw/zinc/58/22/28/762582228.db2.gz NSZCUPWWURLXKZ-UHFFFAOYSA-N -1 1 321.322 0.304 20 0 DCADMM CON(C)C(=O)c1cccc(Nc2[n-]c(=O)nc3nc[nH]c32)n1 ZINC001170229277 762582426 /nfs/dbraw/zinc/58/24/26/762582426.db2.gz PZTNICUOAFTMMA-UHFFFAOYSA-N -1 1 315.293 0.831 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001084671831 757960523 /nfs/dbraw/zinc/96/05/23/757960523.db2.gz MHQWYQHQWCMGMG-FDYHWXHSSA-N -1 1 319.409 0.187 20 0 DCADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O ZINC000822341437 758191497 /nfs/dbraw/zinc/19/14/97/758191497.db2.gz XOJHBWRFPLZKSP-RXMQYKEDSA-N -1 1 319.243 0.664 20 0 DCADMM O=C(NC[C@H]1COCCN1C[C@@H]1CCOC1)c1ncccc1[O-] ZINC001050887439 758210986 /nfs/dbraw/zinc/21/09/86/758210986.db2.gz DVFKQPPOCAVIPB-STQMWFEESA-N -1 1 321.377 0.254 20 0 DCADMM O=C(NC[C@H]1COCCN1Cc1ccon1)c1ncccc1[O-] ZINC001050891162 758215252 /nfs/dbraw/zinc/21/52/52/758215252.db2.gz NPJNKIRJDVAOKG-LBPRGKRZSA-N -1 1 318.333 0.406 20 0 DCADMM CC[C@@H](CN1CCOC[C@@H]1CNC(=O)c1ncccc1[O-])OC ZINC001050890211 758215640 /nfs/dbraw/zinc/21/56/40/758215640.db2.gz DRHFAKUSAYQKGR-STQMWFEESA-N -1 1 323.393 0.643 20 0 DCADMM O=C(C[C@H]1CCCO1)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001085140946 758234917 /nfs/dbraw/zinc/23/49/17/758234917.db2.gz DJMILWNWRLCBSZ-IJLUTSLNSA-N -1 1 323.397 0.596 20 0 DCADMM CO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065928928 758630852 /nfs/dbraw/zinc/63/08/52/758630852.db2.gz UPXYMMHUTWRIAY-NWDGAFQWSA-N -1 1 321.377 0.933 20 0 DCADMM O=C(c1ncccc1[O-])N1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001065996055 758672775 /nfs/dbraw/zinc/67/27/75/758672775.db2.gz ZYLWBUOJEVVBGD-TXEJJXNPSA-N -1 1 311.345 0.786 20 0 DCADMM COCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001051722296 758892903 /nfs/dbraw/zinc/89/29/03/758892903.db2.gz ZQMZJGWEIGZKOT-NWDGAFQWSA-N -1 1 321.377 0.648 20 0 DCADMM CC(C)[C@H](C)C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051856476 758992220 /nfs/dbraw/zinc/99/22/20/758992220.db2.gz YHHZRCQCTHQOSM-QWRGUYRKSA-N -1 1 311.386 0.119 20 0 DCADMM C[C@@H](C(=O)N(C)C)N1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001085561347 759044025 /nfs/dbraw/zinc/04/40/25/759044025.db2.gz JKFDCCLMJSTDGR-NWDGAFQWSA-N -1 1 320.393 0.410 20 0 DCADMM CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001085776973 759305576 /nfs/dbraw/zinc/30/55/76/759305576.db2.gz GMIPUOQRYBGFLQ-MROQNXINSA-N -1 1 319.409 0.187 20 0 DCADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNC(=O)C(F)F ZINC001052420618 759408766 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/nfs/dbraw/zinc/35/67/69/949356769.db2.gz RHJJXZMKXIICTE-UHFFFAOYSA-N -1 1 314.305 0.524 20 0 DCADMM CC(=O)N1C[C@@H](C(=O)Nc2c[n-][nH]c2=O)Oc2ccccc21 ZINC001364502565 949439100 /nfs/dbraw/zinc/43/91/00/949439100.db2.gz CPSINCJSFCCLOJ-LBPRGKRZSA-N -1 1 302.290 0.868 20 0 DCADMM COc1ccc(C(=O)NCC(=O)Nc2c[n-][nH]c2=O)cc1OC ZINC001364508658 949447901 /nfs/dbraw/zinc/44/79/01/949447901.db2.gz UGEBWHLUKJMOBS-UHFFFAOYSA-N -1 1 320.305 0.501 20 0 DCADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001364510745 949457253 /nfs/dbraw/zinc/45/72/53/949457253.db2.gz BVSJHOOCURCDBZ-UHFFFAOYSA-N -1 1 316.317 0.840 20 0 DCADMM O=C(c1cc(C(F)F)ncn1)N1CCC(c2nn[n-]n2)CC1 ZINC001364528777 949491652 /nfs/dbraw/zinc/49/16/52/949491652.db2.gz MHJSASGFFTYDEB-UHFFFAOYSA-N -1 1 309.280 0.947 20 0 DCADMM O=C(c1cnc(OCC2CC2)cn1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001364567884 949564656 /nfs/dbraw/zinc/56/46/56/949564656.db2.gz NNWBTVSYLPGXIB-JTQLQIEISA-N -1 1 315.337 0.408 20 0 DCADMM O=C([O-])c1ccccc1CC(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC001595253905 949571002 /nfs/dbraw/zinc/57/10/02/949571002.db2.gz IIPBLSUXCGJEGW-NSHDSACASA-N -1 1 315.333 0.847 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574956159 949574352 /nfs/dbraw/zinc/57/43/52/949574352.db2.gz GIWOJEOTXGSJSA-IVZWLZJFSA-N -1 1 316.369 0.477 20 0 DCADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574956159 949574366 /nfs/dbraw/zinc/57/43/66/949574366.db2.gz GIWOJEOTXGSJSA-IVZWLZJFSA-N -1 1 316.369 0.477 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574956736 949586508 /nfs/dbraw/zinc/58/65/08/949586508.db2.gz MUZCXQRIAHALSH-OPRDCNLKSA-N -1 1 316.369 0.477 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574956736 949586528 /nfs/dbraw/zinc/58/65/28/949586528.db2.gz MUZCXQRIAHALSH-OPRDCNLKSA-N -1 1 316.369 0.477 20 0 DCADMM C[C@@H]1Cn2nccc2N(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001364595255 949608605 /nfs/dbraw/zinc/60/86/05/949608605.db2.gz SAXJBTBVOQVEDX-JTQLQIEISA-N -1 1 315.333 0.396 20 0 DCADMM O=C([C@@H]1COc2ccc(F)cc2C1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548763177 1013094235 /nfs/dbraw/zinc/09/42/35/1013094235.db2.gz FEAQLGZMTLSFGK-ONGXEEELSA-N -1 1 317.324 0.906 20 0 DCADMM C[C@H](CN(C)C(=O)CCCF)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715505 949654548 /nfs/dbraw/zinc/65/45/48/949654548.db2.gz DKFVVDXTJODYHV-SECBINFHSA-N -1 1 322.348 0.087 20 0 DCADMM C[C@H](NC(=O)CCCF)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575273617 949668419 /nfs/dbraw/zinc/66/84/19/949668419.db2.gz XODASFBPFUFWIU-IUCAKERBSA-N -1 1 322.348 0.133 20 0 DCADMM COc1cc(S(=O)(=O)[N-][C@H](C)CN2CCOCC2)sn1 ZINC001462824083 1013094051 /nfs/dbraw/zinc/09/40/51/1013094051.db2.gz FAVBBMCCCCEZAK-SECBINFHSA-N -1 1 321.424 0.151 20 0 DCADMM C[C@](O)(C(=O)N1CC[C@H](c2nn[n-]n2)C1)c1ccc(F)cc1 ZINC001548762398 1013094746 /nfs/dbraw/zinc/09/47/46/1013094746.db2.gz PAUILNBIWBXRRL-LKFCYVNXSA-N -1 1 305.313 0.562 20 0 DCADMM 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MMOWACVCVLGHAD-UHFFFAOYSA-N -1 1 315.351 0.140 20 0 DCADMM CO[C@@H]1CC[C@H](NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001365140494 950592388 /nfs/dbraw/zinc/59/23/88/950592388.db2.gz BOJDGUUSFBHCEZ-VHSXEESVSA-N -1 1 322.365 0.622 20 0 DCADMM COc1cnc([C@@H]2CCCN2C(=O)[C@H](C)CC(N)=O)[n-]c1=O ZINC001365148464 950607698 /nfs/dbraw/zinc/60/76/98/950607698.db2.gz UYOJAPAGERMUDV-BDAKNGLRSA-N -1 1 308.338 0.366 20 0 DCADMM CC(C)(C)OC(=O)N1CC2(CCN2C(=O)CCc2nn[n-]n2)C1 ZINC001365166044 950648952 /nfs/dbraw/zinc/64/89/52/950648952.db2.gz VLPMMNYZJSIRQX-UHFFFAOYSA-N -1 1 322.369 0.354 20 0 DCADMM CO[C@H]1CCC[C@H](C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC001365187438 950694852 /nfs/dbraw/zinc/69/48/52/950694852.db2.gz XRZMLMZFVMQODE-YUMQZZPRSA-N -1 1 302.356 0.352 20 0 DCADMM CO[C@H]1CCC[C@H](C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC001365187438 950694862 /nfs/dbraw/zinc/69/48/62/950694862.db2.gz XRZMLMZFVMQODE-YUMQZZPRSA-N -1 1 302.356 0.352 20 0 DCADMM O=C(C1=CCOCC1)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001280020045 950758392 /nfs/dbraw/zinc/75/83/92/950758392.db2.gz JXRKIOKEXIBWCZ-LLVKDONJSA-N -1 1 321.381 0.185 20 0 DCADMM CC(C)CCC(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574184087 950772474 /nfs/dbraw/zinc/77/24/74/950772474.db2.gz DBDWRNFXBAUPKR-SNVBAGLBSA-N -1 1 318.385 0.431 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC2(CCCC2=O)CC1 ZINC001330956132 950789210 /nfs/dbraw/zinc/78/92/10/950789210.db2.gz KYVFEIKUOKDIHG-UHFFFAOYSA-N -1 1 319.361 0.289 20 0 DCADMM O=C([O-])CC1(NC(=O)[C@H]2CCc3nc[nH]c3C2)CCOCC1 ZINC001594977962 950948574 /nfs/dbraw/zinc/94/85/74/950948574.db2.gz CIYXBWFHFLXQPH-JTQLQIEISA-N -1 1 307.350 0.655 20 0 DCADMM O=C([O-])CC1(NC(=O)CN2CCC(CO)CC2)CCCCC1 ZINC001594979766 950977168 /nfs/dbraw/zinc/97/71/68/950977168.db2.gz JGUSRIDWYRWLFK-UHFFFAOYSA-N -1 1 312.410 0.985 20 0 DCADMM CCc1nc(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)c(C)o1 ZINC001331196367 951009661 /nfs/dbraw/zinc/00/96/61/951009661.db2.gz MFXLZYJKGLRMBA-UHFFFAOYSA-N -1 1 302.294 0.837 20 0 DCADMM 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972774362 /nfs/dbraw/zinc/77/43/62/972774362.db2.gz OBLFUNAZMHZPIF-SNVBAGLBSA-N -1 1 322.365 0.502 20 0 DCADMM Cc1cc(CCC(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)n[nH]1 ZINC001605166031 972866087 /nfs/dbraw/zinc/86/60/87/972866087.db2.gz UPQMDEKUJYKQMC-UHFFFAOYSA-N -1 1 319.321 0.714 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@H](CO)NCc2cnccc2C)c1[O-] ZINC001448839917 1014066615 /nfs/dbraw/zinc/06/66/15/1014066615.db2.gz QMVOZKNHQKEEJN-GFCCVEGCSA-N -1 1 319.365 0.008 20 0 DCADMM O=C([O-])C1=NO[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001605967732 972958983 /nfs/dbraw/zinc/95/89/83/972958983.db2.gz MHHLGIGUXIQVER-CYBMUJFWSA-N -1 1 309.366 0.693 20 0 DCADMM Cc1ncncc1[C@@H](C)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605424420 973455070 /nfs/dbraw/zinc/45/50/70/973455070.db2.gz RVYOGDZFWPPMOW-DGCLKSJQSA-N -1 1 306.366 0.901 20 0 DCADMM CC[C@H](C)N1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001603512792 973515406 /nfs/dbraw/zinc/51/54/06/973515406.db2.gz POKAKWNULFNDBD-NSHDSACASA-N -1 1 309.370 0.916 20 0 DCADMM Cn1cc(-c2[nH]ncc2C(=O)N(CC(=O)[O-])CC2CC2)cn1 ZINC001605476861 973591700 /nfs/dbraw/zinc/59/17/00/973591700.db2.gz JOIUWVQNMLHPHP-UHFFFAOYSA-N -1 1 303.322 0.747 20 0 DCADMM Cn1nccc1[C@H](NC(=O)c1ccc2[nH]nnc2c1)C(=O)[O-] ZINC000402536820 973621232 /nfs/dbraw/zinc/62/12/32/973621232.db2.gz CFZIOGNLGSMLRN-NSHDSACASA-N -1 1 300.278 0.247 20 0 DCADMM O=C([O-])Cc1ccccc1NC(=O)NCCN1CC[C@H](O)C1 ZINC001606317902 973732543 /nfs/dbraw/zinc/73/25/43/973732543.db2.gz GCFDEJGTODQJJR-LBPRGKRZSA-N -1 1 307.350 0.502 20 0 DCADMM COCc1nc(CNC(=O)C=Cc2ccc(C(=O)[O-])o2)n[nH]1 ZINC001604651291 973790007 /nfs/dbraw/zinc/79/00/07/973790007.db2.gz LMOAXTHQEWHYTA-HWKANZROSA-N -1 1 306.278 0.572 20 0 DCADMM COCc1nc(CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)n[nH]1 ZINC001604651867 973797395 /nfs/dbraw/zinc/79/73/95/973797395.db2.gz YPBDOOIRHHBFEL-SECBINFHSA-N -1 1 311.342 0.347 20 0 DCADMM COc1ccc([C@H](CCO)N[C@@H]2CCN(CC(=O)[O-])C2=O)cc1 ZINC001604764631 973985586 /nfs/dbraw/zinc/98/55/86/973985586.db2.gz FORZZKRTKAMMPW-UONOGXRCSA-N -1 1 322.361 0.394 20 0 DCADMM CCCCn1c(=O)[nH]nc1S[C@H]1CCN(CC(=O)[O-])C1=O ZINC001603653030 974018994 /nfs/dbraw/zinc/01/89/94/974018994.db2.gz NBRYICSXAQEZFH-QMMMGPOBSA-N -1 1 314.367 0.561 20 0 DCADMM CO[C@H]1C[C@H](c2n[nH]c(C)n2)N(C(=O)c2cc(=O)n(C)[n-]2)C1 ZINC001549377440 1014234641 /nfs/dbraw/zinc/23/46/41/1014234641.db2.gz CTSJFMMZPVCTHU-WCBMZHEXSA-N -1 1 306.326 0.154 20 0 DCADMM COCc1ccc(C(=O)NCCNC(=O)c2ncccc2[O-])o1 ZINC001522601862 1014235744 /nfs/dbraw/zinc/23/57/44/1014235744.db2.gz ZUBMIFYJMFQTAE-UHFFFAOYSA-N -1 1 319.317 0.686 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001522617179 1014247476 /nfs/dbraw/zinc/24/74/76/1014247476.db2.gz OKGUVAHVDIPGAG-CHWSQXEVSA-N -1 1 305.378 0.869 20 0 DCADMM CC(C)OCCCNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001591722836 975667785 /nfs/dbraw/zinc/66/77/85/975667785.db2.gz SQUZUZVJPCGYEM-CYBMUJFWSA-N -1 1 315.414 0.992 20 0 DCADMM CC(C)[C@H](NC(=O)CN(C[C@H]1CCC(=O)N1)C(C)C)C(=O)[O-] ZINC001591866563 976172985 /nfs/dbraw/zinc/17/29/85/976172985.db2.gz HBZNGDZZESCPMD-RISCZKNCSA-N -1 1 313.398 0.201 20 0 DCADMM CC(C)[C@H](NC(=O)CN1CCC[C@H](CCO)CC1)C(=O)[O-] ZINC001591868670 976193211 /nfs/dbraw/zinc/19/32/11/976193211.db2.gz YUCACLVELZIGOE-JSGCOSHPSA-N -1 1 300.399 0.696 20 0 DCADMM CC(C)[C@H]([NH2+]CCCNC(=O)C(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC001591898789 976280545 /nfs/dbraw/zinc/28/05/45/976280545.db2.gz XZQLABVQYGIZRN-ZDUSSCGKSA-N -1 1 322.361 0.780 20 0 DCADMM CCCN1C[C@H](CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)CC1=O ZINC001528502959 1014317030 /nfs/dbraw/zinc/31/70/30/1014317030.db2.gz XZLBBYYDKRVWGH-VIFPVBQESA-N -1 1 324.406 0.768 20 0 DCADMM CCN(CCNC(=O)c1ncoc1C)C(=O)c1ncccc1[O-] ZINC001449322345 1014411575 /nfs/dbraw/zinc/41/15/75/1014411575.db2.gz WBXLKUFNMBYQLU-UHFFFAOYSA-N -1 1 318.333 0.976 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1ocnc1C ZINC001528814487 1014429983 /nfs/dbraw/zinc/42/99/83/1014429983.db2.gz IKESAVSUYVIZPB-UHFFFAOYSA-N -1 1 318.333 0.976 20 0 DCADMM CC(C)[C@H](NC(N)=O)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001449384393 1014449550 /nfs/dbraw/zinc/44/95/50/1014449550.db2.gz CJDLHDKIPMJQJE-VIFPVBQESA-N -1 1 311.342 0.174 20 0 DCADMM Cn1cc(O[C@H]2C[N@@H+](Cc3cccc(C(=O)[O-])c3)C[C@@H]2O)cn1 ZINC001549923291 1014492163 /nfs/dbraw/zinc/49/21/63/1014492163.db2.gz WHYVDTOKLNVVMF-GJZGRUSLSA-N -1 1 317.345 0.742 20 0 DCADMM Cn1cc(O[C@H]2CN(Cc3cccc(C(=O)[O-])c3)C[C@@H]2O)cn1 ZINC001549923291 1014492171 /nfs/dbraw/zinc/49/21/71/1014492171.db2.gz WHYVDTOKLNVVMF-GJZGRUSLSA-N -1 1 317.345 0.742 20 0 DCADMM C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)CN1CCCC1 ZINC001592593738 978526989 /nfs/dbraw/zinc/52/69/89/978526989.db2.gz KEXCCTZTMWVVML-NSHDSACASA-N -1 1 321.381 0.212 20 0 DCADMM C[C@H](CNC(=O)NCC(C)(C)CC(=O)[O-])N1CCN(C)CC1 ZINC001592664858 979067098 /nfs/dbraw/zinc/06/70/98/979067098.db2.gz HAZHRVUJOSOEHB-GFCCVEGCSA-N -1 1 314.430 0.422 20 0 DCADMM C[C@H](Cc1cnc[nH]1)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001592906346 979844061 /nfs/dbraw/zinc/84/40/61/979844061.db2.gz FSIBAVIKQAHZLG-SNVBAGLBSA-N -1 1 320.349 0.810 20 0 DCADMM C[C@](NC(=O)CCc1c[nH]nn1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593019911 980275174 /nfs/dbraw/zinc/27/51/74/980275174.db2.gz MDVGQOKFXCWDKD-CQSZACIVSA-N -1 1 306.297 0.993 20 0 DCADMM C[C@](NC(=O)CCc1cnn[nH]1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593019911 980275182 /nfs/dbraw/zinc/27/51/82/980275182.db2.gz MDVGQOKFXCWDKD-CQSZACIVSA-N -1 1 306.297 0.993 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)[C@H]1CN(C)CCN1C ZINC001593040072 980322766 /nfs/dbraw/zinc/32/27/66/980322766.db2.gz LUWWSTOLVHSLOZ-SMDDNHRTSA-N -1 1 320.393 0.073 20 0 DCADMM CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)[C@H]1CCCOC1 ZINC001595311276 980471074 /nfs/dbraw/zinc/47/10/74/980471074.db2.gz SACGSYXAFXSPDY-IUCAKERBSA-N -1 1 318.351 0.856 20 0 DCADMM CC[C@@]1(C2CC2)NC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1=O ZINC001595372583 980863835 /nfs/dbraw/zinc/86/38/35/980863835.db2.gz NJFNRGAIPVYAIW-NHYWBVRUSA-N -1 1 309.366 0.994 20 0 DCADMM CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001595523667 981348752 /nfs/dbraw/zinc/34/87/52/981348752.db2.gz NSCIOZUFUXFJEE-RYUDHWBXSA-N -1 1 322.365 0.313 20 0 DCADMM CCCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)no1)C(=O)[O-] ZINC001595640889 981964781 /nfs/dbraw/zinc/96/47/81/981964781.db2.gz PAXDAHKNMKCFQL-ZETCQYMHSA-N -1 1 320.323 0.383 20 0 DCADMM CC[C@@](C)(NCC(=O)N1CCC2(CC1)OCCO2)C(=O)[O-] ZINC001594849275 982087487 /nfs/dbraw/zinc/08/74/87/982087487.db2.gz VHLMGLMNGMWHBB-CYBMUJFWSA-N -1 1 300.355 0.195 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)CN(C)CC1(O)CCOCC1)C(=O)[O-] ZINC001594888057 982277991 /nfs/dbraw/zinc/27/79/91/982277991.db2.gz YQXSIVLQTLPABE-AAEUAGOBSA-N -1 1 316.398 0.075 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](CCCO)C1)C(=O)[O-] ZINC001594890459 982285603 /nfs/dbraw/zinc/28/56/03/982285603.db2.gz HSAXOJWKNAEECI-SCRDCRAPSA-N -1 1 300.399 0.696 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](C)[C@@H](CO)C1)C(=O)[O-] ZINC001594890884 982287786 /nfs/dbraw/zinc/28/77/86/982287786.db2.gz JFCRRSHVZYXOMN-FMSGJZPZSA-N -1 1 300.399 0.552 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@H](C(=O)N(C)C)C1)C(=O)[O-] ZINC001594893756 982310349 /nfs/dbraw/zinc/31/03/49/982310349.db2.gz XNEVZBKDMDJPEQ-GMXVVIOVSA-N -1 1 313.398 0.012 20 0 DCADMM CC[C@@H](C)[C@H](NC(=O)Cn1cc(C(C)(C)NC)nn1)C(=O)[O-] ZINC001594909014 982406331 /nfs/dbraw/zinc/40/63/31/982406331.db2.gz OMXCNXCDMMCEBY-SKDRFNHKSA-N -1 1 311.386 0.348 20 0 DCADMM CCCCNC(=O)[C@@H]1CCCN(CC(=O)NCCC(=O)[O-])C1 ZINC001595755942 982451693 /nfs/dbraw/zinc/45/16/93/982451693.db2.gz LXDZVZFEWJITOW-GFCCVEGCSA-N -1 1 313.398 0.206 20 0 DCADMM CCN1C[C@@H](CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)OC1=O ZINC001596397960 983949416 /nfs/dbraw/zinc/94/94/16/983949416.db2.gz QLOATXMCJXBFQF-ZWNOBZJWSA-N -1 1 324.333 0.957 20 0 DCADMM CCOCC(=O)N[C@@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001450293259 1015017177 /nfs/dbraw/zinc/01/71/77/1015017177.db2.gz IJFVYVOKOLXTPE-JTQLQIEISA-N -1 1 307.350 0.400 20 0 DCADMM CCOC(=O)C1([S@](C)=O)CCN(CC2(C(=O)[O-])CC2)CC1 ZINC001596563441 984443882 /nfs/dbraw/zinc/44/38/82/984443882.db2.gz QNIYQVSBDZGUOA-NRFANRHFSA-N -1 1 317.407 0.627 20 0 DCADMM CNC(=O)[C@@]12CN(c3cc(Cl)[n-]c(=O)n3)C[C@H]1COCC2 ZINC001551409226 1015045009 /nfs/dbraw/zinc/04/50/09/1015045009.db2.gz NELXKZZEKBJUHK-SDBXPKJASA-N -1 1 312.757 0.425 20 0 DCADMM CNC(=O)[C@@]12CN(C(=O)c3ncc(C)cc3[O-])C[C@H]1COCC2 ZINC001551413501 1015048949 /nfs/dbraw/zinc/04/89/49/1015048949.db2.gz WLQQJHLGGBDAAS-ZBEGNZNMSA-N -1 1 319.361 0.320 20 0 DCADMM C/C(=C/C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1cnccn1 ZINC001588937774 984619126 /nfs/dbraw/zinc/61/91/26/984619126.db2.gz RTXWJYGCDPNLQE-SUIFULHWSA-N -1 1 318.377 0.887 20 0 DCADMM C/C(=C/CNC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)C(=O)[O-] ZINC001588967578 984770510 /nfs/dbraw/zinc/77/05/10/984770510.db2.gz CKWPZFSFPVUWJE-QJGQKNTRSA-N -1 1 313.398 0.504 20 0 DCADMM CCOC(=O)c1c(C)[nH]nc1CN1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001596696627 984840849 /nfs/dbraw/zinc/84/08/49/984840849.db2.gz KUBWISUIPRSJPE-NXEZZACHSA-N -1 1 311.338 0.162 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](SC)C2)o1 ZINC001450359893 1015084485 /nfs/dbraw/zinc/08/44/85/1015084485.db2.gz AZBQEGZEVQWHNM-QMMMGPOBSA-N -1 1 304.393 0.765 20 0 DCADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@]2(O)CC3CCC2CC3)C1 ZINC001551457505 1015094047 /nfs/dbraw/zinc/09/40/47/1015094047.db2.gz CQQMRPNGYYPBRL-NHMAURGWSA-N -1 1 324.421 0.840 20 0 DCADMM CC[C@H](C)CC(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001383895357 985178489 /nfs/dbraw/zinc/17/84/89/985178489.db2.gz BOHBPVWUNGHDNZ-QWRGUYRKSA-N -1 1 309.366 0.430 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cn2)CCN1CC(C)(C)O ZINC001594492931 985608185 /nfs/dbraw/zinc/60/81/85/985608185.db2.gz JNYBTDZMMRPHRP-LLVKDONJSA-N -1 1 321.377 0.697 20 0 DCADMM C[C@H]1CN(C(=O)c2cnn3ncccc23)CCN1CCC(=O)[O-] ZINC001594495923 985636357 /nfs/dbraw/zinc/63/63/57/985636357.db2.gz GQAGNGKJDUOXQD-NSHDSACASA-N -1 1 317.349 0.350 20 0 DCADMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCC1(C(=O)[O-])CC1 ZINC001594505506 985713461 /nfs/dbraw/zinc/71/34/61/985713461.db2.gz FGEBGCWZZRJLCJ-LLVKDONJSA-N -1 1 313.398 0.338 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CCN1CCCC1=O ZINC001594514139 985825982 /nfs/dbraw/zinc/82/59/82/985825982.db2.gz CNBSQAGTDIFVRB-LBPRGKRZSA-N -1 1 311.382 0.006 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCC(=O)N1C ZINC001594514389 985835270 /nfs/dbraw/zinc/83/52/70/985835270.db2.gz GUIATAAUNWMKAE-NWDGAFQWSA-N -1 1 311.382 0.005 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C ZINC001450483393 1015167166 /nfs/dbraw/zinc/16/71/66/1015167166.db2.gz LAVHRJPLWWOVNH-ZETCQYMHSA-N -1 1 300.315 0.248 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1CCCOCC1 ZINC001594517040 985927303 /nfs/dbraw/zinc/92/73/03/985927303.db2.gz YQLDLZYEMOARSU-STQMWFEESA-N -1 1 313.398 0.746 20 0 DCADMM C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC001594520420 985977761 /nfs/dbraw/zinc/97/77/61/985977761.db2.gz RLZAXGBFKPKKDK-SNVBAGLBSA-N -1 1 321.333 0.401 20 0 DCADMM COCC(=O)N[C@@H](C)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001385539619 986412968 /nfs/dbraw/zinc/41/29/68/986412968.db2.gz VCDMRJBQEGASFM-RYUDHWBXSA-N -1 1 321.377 0.933 20 0 DCADMM C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@](O)(C(=O)[O-])C1 ZINC001589375303 986431754 /nfs/dbraw/zinc/43/17/54/986431754.db2.gz SWCFDSQGEAOOIS-XWCIJXRUSA-N -1 1 318.373 0.874 20 0 DCADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC001589401966 986575405 /nfs/dbraw/zinc/57/54/05/986575405.db2.gz ZLKFPEYRIHNSEI-DZGCQCFKSA-N -1 1 319.405 0.434 20 0 DCADMM C[C@H]1NCCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])[C@H]1C ZINC001594630445 986717854 /nfs/dbraw/zinc/71/78/54/986717854.db2.gz AJPLOJNTQHRKAL-MNOVXSKESA-N -1 1 312.391 0.897 20 0 DCADMM C[C@@H]1[C@H](C)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001594632914 986745126 /nfs/dbraw/zinc/74/51/26/986745126.db2.gz RGLRYUGTYAFGMI-DTWKUNHWSA-N -1 1 301.368 0.094 20 0 DCADMM CN(C(=O)c1cnc(F)c(Br)c1)c1nn[n-]n1 ZINC001532085807 1015261599 /nfs/dbraw/zinc/26/15/99/1015261599.db2.gz UZHVUYGXJOLRAN-UHFFFAOYSA-N -1 1 301.079 0.773 20 0 DCADMM C[C@@H](CNC(=O)c1ccc(F)cn1)NC(=O)c1ncccc1[O-] ZINC001386235050 986983455 /nfs/dbraw/zinc/98/34/55/986983455.db2.gz XLCBTZIGUPHCHT-VIFPVBQESA-N -1 1 318.308 0.870 20 0 DCADMM CCO[C@H](CC)C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001386674124 987294374 /nfs/dbraw/zinc/29/43/74/987294374.db2.gz BSTGPTWQQZWRIF-ZYHUDNBSSA-N -1 1 309.366 0.837 20 0 DCADMM COCC1(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])CCC1 ZINC001386739205 987355398 /nfs/dbraw/zinc/35/53/98/987355398.db2.gz FVIUIPZJPQFMDI-NSHDSACASA-N -1 1 321.377 0.838 20 0 DCADMM CC(C)(C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])C1CCOCC1 ZINC001589579168 987358349 /nfs/dbraw/zinc/35/83/49/987358349.db2.gz DYCDWYWETCKRSL-GFCCVEGCSA-N -1 1 309.366 0.974 20 0 DCADMM Cc1c[nH]cc1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001386744091 987360745 /nfs/dbraw/zinc/36/07/45/987360745.db2.gz 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C[C@@]1(C2CC2)NC(=O)N(CN2CCC[C@@H](CC(=O)[O-])C2)C1=O ZINC000818080539 597044324 /nfs/dbraw/zinc/04/43/24/597044324.db2.gz QDJWHDOAJVRPER-BONVTDFDSA-N -1 1 309.366 0.851 20 0 DCADMM CC(C)(C)NC(=O)CNC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000817803589 597074238 /nfs/dbraw/zinc/07/42/38/597074238.db2.gz ZYQUEDWMSSDREH-NSHDSACASA-N -1 1 313.398 0.204 20 0 DCADMM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000817768561 597467277 /nfs/dbraw/zinc/46/72/77/597467277.db2.gz CTHSUNGPYOELDR-NSHDSACASA-N -1 1 306.366 0.379 20 0 DCADMM NC(=O)COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822869268 607309242 /nfs/dbraw/zinc/30/92/42/607309242.db2.gz SKLKQOUJRYVPJI-UHFFFAOYSA-N -1 1 314.305 0.936 20 0 DCADMM NC(=O)COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822869268 607309243 /nfs/dbraw/zinc/30/92/43/607309243.db2.gz SKLKQOUJRYVPJI-UHFFFAOYSA-N -1 1 314.305 0.936 20 0 DCADMM O=C([O-])[C@@H]1CCN(CC(=O)NC(=O)NCc2cccs2)C1 ZINC000819151764 597530469 /nfs/dbraw/zinc/53/04/69/597530469.db2.gz 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/nfs/dbraw/zinc/34/09/40/598340940.db2.gz JBOHJIVJJSIBQX-UHFFFAOYSA-N -1 1 314.353 0.470 20 0 DCADMM CNC(=O)c1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000736881854 598343006 /nfs/dbraw/zinc/34/30/06/598343006.db2.gz LRCIPZZEAYWDQZ-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM CNC(=O)c1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000736881854 598343008 /nfs/dbraw/zinc/34/30/08/598343008.db2.gz LRCIPZZEAYWDQZ-UHFFFAOYSA-N -1 1 310.321 0.628 20 0 DCADMM CCCC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736409836 598344149 /nfs/dbraw/zinc/34/41/49/598344149.db2.gz FQNKSAPRVPVDCR-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736409836 598344151 /nfs/dbraw/zinc/34/41/51/598344151.db2.gz FQNKSAPRVPVDCR-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM c1ccc(N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC000738436063 598384815 /nfs/dbraw/zinc/38/48/15/598384815.db2.gz NIGFJBDWPYSALE-UHFFFAOYSA-N -1 1 309.337 0.378 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](CO)C(C)(C)C)n1 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Brc1c[nH]nc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000823832838 608416395 /nfs/dbraw/zinc/41/63/95/608416395.db2.gz WFMYEEQFPRDCQM-UHFFFAOYSA-N -1 1 322.130 0.754 20 0 DCADMM Cc1ccnc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000737437952 599399494 /nfs/dbraw/zinc/39/94/94/599399494.db2.gz VOYSVKVVHUSMLI-UHFFFAOYSA-N -1 1 314.357 0.339 20 0 DCADMM Cc1ccnc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000737437952 599399497 /nfs/dbraw/zinc/39/94/97/599399497.db2.gz VOYSVKVVHUSMLI-UHFFFAOYSA-N -1 1 314.357 0.339 20 0 DCADMM O=C(NC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC000738034070 599404975 /nfs/dbraw/zinc/40/49/75/599404975.db2.gz FKRZGOHLQWKSEY-UHFFFAOYSA-N -1 1 313.365 0.757 20 0 DCADMM O=C(NC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC000738034070 599404977 /nfs/dbraw/zinc/40/49/77/599404977.db2.gz FKRZGOHLQWKSEY-UHFFFAOYSA-N -1 1 313.365 0.757 20 0 DCADMM C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736760684 599711907 /nfs/dbraw/zinc/71/19/07/599711907.db2.gz DFXHSOKAFKUGSV-CMPLNLGQSA-N -1 1 319.361 0.909 20 0 DCADMM C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736760721 599712228 /nfs/dbraw/zinc/71/22/28/599712228.db2.gz DHPUTVUEFYLFLH-ZYHUDNBSSA-N -1 1 319.361 0.909 20 0 DCADMM C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736760714 599712348 /nfs/dbraw/zinc/71/23/48/599712348.db2.gz DHPUTVUEFYLFLH-CMPLNLGQSA-N -1 1 319.361 0.909 20 0 DCADMM O=C([O-])Cn1ccc(NS(=O)(=O)CCc2ccccc2)n1 ZINC000739920473 599739826 /nfs/dbraw/zinc/73/98/26/599739826.db2.gz OXASSCJTLMGGQY-UHFFFAOYSA-N -1 1 309.347 0.952 20 0 DCADMM CCCC(=O)NC[C@H]1CCCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000736950921 599784488 /nfs/dbraw/zinc/78/44/88/599784488.db2.gz ARWHGPCSGMMHOX-NWDGAFQWSA-N -1 1 313.398 0.204 20 0 DCADMM C[C@H](CN1CCN(C)CC1)NC(=O)NCCCCCC(=O)[O-] ZINC000736584706 600016811 /nfs/dbraw/zinc/01/68/11/600016811.db2.gz GJTLIFQSUGURFI-CYBMUJFWSA-N -1 1 314.430 0.567 20 0 DCADMM C[C@@H](CN1CCN(C)CC1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000736586765 600076324 /nfs/dbraw/zinc/07/63/24/600076324.db2.gz QISRGYQDENONHB-LBPRGKRZSA-N -1 1 305.378 0.751 20 0 DCADMM Cc1[nH]c(C(=O)N[C@H](C)CN2CCN(C)CC2)c(C)c1C(=O)[O-] ZINC000738153398 600076529 /nfs/dbraw/zinc/07/65/29/600076529.db2.gz CCVVZELUXCAMSZ-SNVBAGLBSA-N -1 1 322.409 0.695 20 0 DCADMM O=C([O-])c1ccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)s1 ZINC000740108906 600165215 /nfs/dbraw/zinc/16/52/15/600165215.db2.gz AUQLFLBMFLAAFH-LURJTMIESA-N -1 1 309.307 0.173 20 0 DCADMM Cn1cc([C@@H]2CCN(CC(=O)N3CCC(C(=O)[O-])CC3)C2)cn1 ZINC000738407305 600217218 /nfs/dbraw/zinc/21/72/18/600217218.db2.gz VWKGWGBUDDXGRE-CYBMUJFWSA-N -1 1 320.393 0.533 20 0 DCADMM CCOC(=O)CN(C)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737139284 600303081 /nfs/dbraw/zinc/30/30/81/600303081.db2.gz YMFFBCFUYNLOFS-LLVKDONJSA-N -1 1 312.366 0.195 20 0 DCADMM CNC(=O)C1(NCC(=O)Nc2ccc(C(=O)[O-])cc2)CCCC1 ZINC000737535411 600396382 /nfs/dbraw/zinc/39/63/82/600396382.db2.gz NWUPYQKSSPKNAC-UHFFFAOYSA-N -1 1 319.361 0.972 20 0 DCADMM CN1CCN(C)[C@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000316346467 600411359 /nfs/dbraw/zinc/41/13/59/600411359.db2.gz QSZKABIVQAOHEW-WXRRBKDZSA-N -1 1 312.414 0.175 20 0 DCADMM O=C([O-])c1ccc(NC(=O)C(=O)NCCN2CCCC2)cc1 ZINC000738501022 600468030 /nfs/dbraw/zinc/46/80/30/600468030.db2.gz TZKFQXNQOHMMCQ-UHFFFAOYSA-N -1 1 305.334 0.535 20 0 DCADMM Cc1c(NC(=O)C(=O)NC[C@H]2CCCN2C)cccc1C(=O)[O-] ZINC000738301806 600468199 /nfs/dbraw/zinc/46/81/99/600468199.db2.gz MYCKTLQRQXAXND-LLVKDONJSA-N -1 1 319.361 0.842 20 0 DCADMM Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2C)ccc1C(=O)[O-] ZINC000738411491 600468211 /nfs/dbraw/zinc/46/82/11/600468211.db2.gz UHXGDRGJDGONJS-GFCCVEGCSA-N -1 1 319.361 0.842 20 0 DCADMM C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736581525 600495476 /nfs/dbraw/zinc/49/54/76/600495476.db2.gz IHHCISSCVVZMFU-QWHCGFSZSA-N -1 1 312.414 0.129 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)CN1CCC(COC)CC1)C(=O)[O-] ZINC000736880652 600501080 /nfs/dbraw/zinc/50/10/80/600501080.db2.gz YRETUOIZVXIVKJ-FZMZJTMJSA-N -1 1 300.399 0.960 20 0 DCADMM O=C([O-])C1CCN(C(=O)NCCCCN2CCOCC2)CC1 ZINC000739592337 600560074 /nfs/dbraw/zinc/56/00/74/600560074.db2.gz OMPFTZGJAPPQMD-UHFFFAOYSA-N -1 1 313.398 0.605 20 0 DCADMM COc1ccc(S(=O)(=O)Nc2ccnn2C)cc1C(=O)[O-] ZINC000044593627 600658330 /nfs/dbraw/zinc/65/83/30/600658330.db2.gz QFDJKRURKQQISZ-UHFFFAOYSA-N -1 1 311.319 0.928 20 0 DCADMM C[C@H]1CCCN(CCNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000828266104 600710912 /nfs/dbraw/zinc/71/09/12/600710912.db2.gz PFNPOTUNSOAYOA-JTQLQIEISA-N -1 1 315.395 0.723 20 0 DCADMM CCN1C[C@@H](C)[C@H](NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000829752898 600788282 /nfs/dbraw/zinc/78/82/82/600788282.db2.gz LSHKZESBSRVIPS-MWLCHTKSSA-N -1 1 315.395 0.342 20 0 DCADMM CN1CCN(c2cc(C(=O)NC(C)(C)CC(=O)[O-])ccn2)CC1 ZINC000737528546 600788460 /nfs/dbraw/zinc/78/84/60/600788460.db2.gz HPQKEVAVFMKYLN-UHFFFAOYSA-N -1 1 320.393 0.817 20 0 DCADMM CCOC(=O)N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000825523988 607479936 /nfs/dbraw/zinc/47/99/36/607479936.db2.gz XXOIGMQOKCPLBR-UHFFFAOYSA-N -1 1 317.353 0.536 20 0 DCADMM CCOC(=O)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000825523988 607479938 /nfs/dbraw/zinc/47/99/38/607479938.db2.gz XXOIGMQOKCPLBR-UHFFFAOYSA-N -1 1 317.353 0.536 20 0 DCADMM Cc1nnc([C@H]2CN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CCO2)[nH]1 ZINC000738339325 601100323 /nfs/dbraw/zinc/10/03/23/601100323.db2.gz YWGLJUIADUYHQH-ZJUUUORDSA-N -1 1 311.342 0.305 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCN2CCCC2=O)CC1 ZINC000827361618 601106112 /nfs/dbraw/zinc/10/61/12/601106112.db2.gz CVDHENIQLMBKPQ-LBPRGKRZSA-N -1 1 311.382 0.006 20 0 DCADMM CC(=O)N1CCC[C@H]1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000825833804 601122714 /nfs/dbraw/zinc/12/27/14/601122714.db2.gz GYSOWXGVGAGDLE-AAEUAGOBSA-N -1 1 311.382 0.005 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccn(C)c2=O)CC1 ZINC000827369177 601134724 /nfs/dbraw/zinc/13/47/24/601134724.db2.gz PYIMVCOPEZNQIK-NSHDSACASA-N -1 1 322.365 0.398 20 0 DCADMM 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606165200 /nfs/dbraw/zinc/16/52/00/606165200.db2.gz TUFDMMMZUGFCRQ-SECBINFHSA-N -1 1 322.373 0.927 20 0 DCADMM CCCC[C@H](COC)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821043711 606165201 /nfs/dbraw/zinc/16/52/01/606165201.db2.gz TUFDMMMZUGFCRQ-SECBINFHSA-N -1 1 322.373 0.927 20 0 DCADMM CC[C@@H](C)CN(CC)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820870563 606241267 /nfs/dbraw/zinc/24/12/67/606241267.db2.gz VHJCUYRFRNVPHI-SECBINFHSA-N -1 1 321.385 0.137 20 0 DCADMM COC(=O)C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000821660144 606428312 /nfs/dbraw/zinc/42/83/12/606428312.db2.gz HIUUBFWOCGHTCW-VIFPVBQESA-N -1 1 304.310 0.030 20 0 DCADMM COC(=O)C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000821660144 606428315 /nfs/dbraw/zinc/42/83/15/606428315.db2.gz HIUUBFWOCGHTCW-VIFPVBQESA-N -1 1 304.310 0.030 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccc(F)n1 ZINC000821601744 606443345 /nfs/dbraw/zinc/44/33/45/606443345.db2.gz XRWKQKPXYSBGDF-UHFFFAOYSA-N -1 1 317.332 0.775 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC(C)(C)C ZINC000820390202 606533586 /nfs/dbraw/zinc/53/35/86/606533586.db2.gz GEDYTVREOYZXKF-SSDOTTSWSA-N -1 1 322.394 0.961 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC(C)(C)C ZINC000820390202 606533587 /nfs/dbraw/zinc/53/35/87/606533587.db2.gz GEDYTVREOYZXKF-SSDOTTSWSA-N -1 1 322.394 0.961 20 0 DCADMM Cc1nnc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)n1C ZINC000822509764 606552209 /nfs/dbraw/zinc/55/22/09/606552209.db2.gz DYAWEPMULBALMO-UHFFFAOYSA-N -1 1 304.339 0.295 20 0 DCADMM Cc1nnc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)n1C ZINC000822509764 606552210 /nfs/dbraw/zinc/55/22/10/606552210.db2.gz DYAWEPMULBALMO-UHFFFAOYSA-N -1 1 304.339 0.295 20 0 DCADMM CN(Cc1ccncc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821615659 606596219 /nfs/dbraw/zinc/59/62/19/606596219.db2.gz HQORWFWFDOGTPW-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM CN(Cc1ccncc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821615659 606596221 /nfs/dbraw/zinc/59/62/21/606596221.db2.gz HQORWFWFDOGTPW-UHFFFAOYSA-N -1 1 313.325 0.659 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1ccccc1F ZINC000823122637 606655282 /nfs/dbraw/zinc/65/52/82/606655282.db2.gz FTLLCISUANBRDH-UHFFFAOYSA-N -1 1 301.285 0.519 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1ccccc1F ZINC000823122637 606655283 /nfs/dbraw/zinc/65/52/83/606655283.db2.gz FTLLCISUANBRDH-UHFFFAOYSA-N -1 1 301.285 0.519 20 0 DCADMM C[C@@]1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC000820618519 606743077 /nfs/dbraw/zinc/74/30/77/606743077.db2.gz HCMMSEUXADUBAC-LBPRGKRZSA-N -1 1 324.366 0.109 20 0 DCADMM C[C@@]1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC000820618519 606743079 /nfs/dbraw/zinc/74/30/79/606743079.db2.gz HCMMSEUXADUBAC-LBPRGKRZSA-N -1 1 324.366 0.109 20 0 DCADMM CC1(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)OCCO1 ZINC000820612211 606761609 /nfs/dbraw/zinc/76/16/09/606761609.db2.gz BYNQPALRKZEWAQ-UHFFFAOYSA-N -1 1 317.353 0.636 20 0 DCADMM CC1(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)OCCO1 ZINC000820612211 606761611 /nfs/dbraw/zinc/76/16/11/606761611.db2.gz BYNQPALRKZEWAQ-UHFFFAOYSA-N -1 1 317.353 0.636 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000736117336 606932946 /nfs/dbraw/zinc/93/29/46/606932946.db2.gz GAPIXMCMQQVXFT-MRVPVSSYSA-N -1 1 318.337 0.722 20 0 DCADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000736117336 606932949 /nfs/dbraw/zinc/93/29/49/606932949.db2.gz GAPIXMCMQQVXFT-MRVPVSSYSA-N -1 1 318.337 0.722 20 0 DCADMM O=C(COc1ccc(Cl)cc1)Cn1cnc(-c2nn[n-]n2)n1 ZINC000823040144 607161911 /nfs/dbraw/zinc/16/19/11/607161911.db2.gz DHSVUWDYXDKLEK-UHFFFAOYSA-N -1 1 319.712 0.760 20 0 DCADMM Cc1cn2cc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccc2n1 ZINC000822389466 607212791 /nfs/dbraw/zinc/21/27/91/607212791.db2.gz XQHNDJCNIZUJDO-UHFFFAOYSA-N -1 1 324.308 0.053 20 0 DCADMM CCC[C@H]1CCCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821040870 607214069 /nfs/dbraw/zinc/21/40/69/607214069.db2.gz TZRRAQYFXCAAIV-WDEREUQCSA-N -1 1 318.385 0.933 20 0 DCADMM C[C@H]1Cc2ccccc2N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820813239 607214078 /nfs/dbraw/zinc/21/40/78/607214078.db2.gz BRLBPLLNDBMUKY-JTQLQIEISA-N -1 1 324.348 0.684 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCc2ccccc2C1 ZINC000823126351 607215762 /nfs/dbraw/zinc/21/57/62/607215762.db2.gz IUQOFYSPMSOPRG-UHFFFAOYSA-N -1 1 324.348 0.433 20 0 DCADMM CC(C)[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820037515 607217264 /nfs/dbraw/zinc/21/72/64/607217264.db2.gz CNCCJEQRTSSXAW-NSHDSACASA-N -1 1 318.385 0.743 20 0 DCADMM CC[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820978473 607217631 /nfs/dbraw/zinc/21/76/31/607217631.db2.gz BOJFKTCOBRBIGN-SNVBAGLBSA-N -1 1 304.358 0.497 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]2CCC[C@@H]21 ZINC000823125730 607219689 /nfs/dbraw/zinc/21/96/89/607219689.db2.gz CBPYEAPETRKAMH-ZJUUUORDSA-N -1 1 302.342 0.249 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]2CCC[C@H]21 ZINC000823125729 607219695 /nfs/dbraw/zinc/21/96/95/607219695.db2.gz CBPYEAPETRKAMH-VHSXEESVSA-N -1 1 302.342 0.249 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CC1CC1)c1ccccc1 ZINC000823123344 607222232 /nfs/dbraw/zinc/22/22/32/607222232.db2.gz XINZKPNGVSPDJH-UHFFFAOYSA-N -1 1 324.348 0.901 20 0 DCADMM NC(=O)[C@H](Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000826388610 607903364 /nfs/dbraw/zinc/90/33/64/607903364.db2.gz FFRMZLIKWPWBTF-LBPRGKRZSA-N -1 1 309.333 0.770 20 0 DCADMM NC(=O)[C@H](Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000826388610 607903365 /nfs/dbraw/zinc/90/33/65/607903365.db2.gz FFRMZLIKWPWBTF-LBPRGKRZSA-N -1 1 309.333 0.770 20 0 DCADMM c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826522273 607987459 /nfs/dbraw/zinc/98/74/59/607987459.db2.gz UFLIJKPLDGLKAM-UHFFFAOYSA-N -1 1 308.349 0.983 20 0 DCADMM c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826522273 607987460 /nfs/dbraw/zinc/98/74/60/607987460.db2.gz UFLIJKPLDGLKAM-UHFFFAOYSA-N -1 1 308.349 0.983 20 0 DCADMM CCC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000825251821 608010020 /nfs/dbraw/zinc/01/00/20/608010020.db2.gz DIVZMGDZFOUPNN-NSHDSACASA-N -1 1 302.338 0.903 20 0 DCADMM CCC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000825251821 608010021 /nfs/dbraw/zinc/01/00/21/608010021.db2.gz DIVZMGDZFOUPNN-NSHDSACASA-N -1 1 302.338 0.903 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ncn(-c2ccccc2)n1 ZINC000826501425 608152868 /nfs/dbraw/zinc/15/28/68/608152868.db2.gz PKCHFTVDZGRTGL-UHFFFAOYSA-N -1 1 320.316 0.657 20 0 DCADMM C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825006694 608186529 /nfs/dbraw/zinc/18/65/29/608186529.db2.gz OCQZWHOFIZKDJO-SFYZADRCSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825006694 608186530 /nfs/dbraw/zinc/18/65/30/608186530.db2.gz OCQZWHOFIZKDJO-SFYZADRCSA-N -1 1 309.351 0.150 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(O)CCSCC1 ZINC000826451046 608205414 /nfs/dbraw/zinc/20/54/14/608205414.db2.gz NHTLGLMBJAHSHO-UHFFFAOYSA-N -1 1 321.362 0.769 20 0 DCADMM Cn1nnnc1CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826366874 608239789 /nfs/dbraw/zinc/23/97/89/608239789.db2.gz BNITVLWTOJNMFR-UHFFFAOYSA-N -1 1 322.336 0.593 20 0 DCADMM Cn1nnnc1CCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826366874 608239791 /nfs/dbraw/zinc/23/97/91/608239791.db2.gz BNITVLWTOJNMFR-UHFFFAOYSA-N -1 1 322.336 0.593 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826060641 608244442 /nfs/dbraw/zinc/24/44/42/608244442.db2.gz QAONOPAEKRGAIJ-HTQZYQBOSA-N -1 1 320.378 0.573 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826060641 608244443 /nfs/dbraw/zinc/24/44/43/608244443.db2.gz QAONOPAEKRGAIJ-HTQZYQBOSA-N -1 1 320.378 0.573 20 0 DCADMM CN1C[C@@H](COC(=O)c2sccc2-c2nn[n-]n2)CC1=O ZINC000826017293 608275755 /nfs/dbraw/zinc/27/57/55/608275755.db2.gz JZQDOXKARNXSNW-ZETCQYMHSA-N -1 1 307.335 0.563 20 0 DCADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)COc1ccccc1 ZINC000826503487 608399106 /nfs/dbraw/zinc/39/91/06/608399106.db2.gz YUSKSSXFRIESGX-SNVBAGLBSA-N -1 1 313.321 0.509 20 0 DCADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)COc1ccccc1 ZINC000826503487 608399108 /nfs/dbraw/zinc/39/91/08/608399108.db2.gz YUSKSSXFRIESGX-SNVBAGLBSA-N -1 1 313.321 0.509 20 0 DCADMM Brc1c[nH]nc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000823832838 608416394 /nfs/dbraw/zinc/41/63/94/608416394.db2.gz WFMYEEQFPRDCQM-UHFFFAOYSA-N -1 1 322.130 0.754 20 0 DCADMM FC(F)(F)[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000826368025 608421599 /nfs/dbraw/zinc/42/15/99/608421599.db2.gz ZGSKJGUHVBICQW-ZETCQYMHSA-N -1 1 301.232 0.424 20 0 DCADMM FC(F)(F)[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000826368025 608421601 /nfs/dbraw/zinc/42/16/01/608421601.db2.gz ZGSKJGUHVBICQW-ZETCQYMHSA-N -1 1 301.232 0.424 20 0 DCADMM O[C@@]12CCCC[C@@H]1CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826506184 608433113 /nfs/dbraw/zinc/43/31/13/608433113.db2.gz OGFKJCXQJMATNU-QMTHXVAHSA-N -1 1 301.354 0.788 20 0 DCADMM O[C@@]12CCCC[C@@H]1CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826506184 608433114 /nfs/dbraw/zinc/43/31/14/608433114.db2.gz OGFKJCXQJMATNU-QMTHXVAHSA-N -1 1 301.354 0.788 20 0 DCADMM CCOC(=O)c1cc(Nc2ccc(-c3nnn[n-]3)nn2)cn1C ZINC000825560301 608433143 /nfs/dbraw/zinc/43/31/43/608433143.db2.gz PBPASWWXXSCBBZ-UHFFFAOYSA-N -1 1 314.309 0.916 20 0 DCADMM CCOC(=O)c1cc(Nc2ccc(-c3nn[n-]n3)nn2)cn1C ZINC000825560301 608433144 /nfs/dbraw/zinc/43/31/44/608433144.db2.gz PBPASWWXXSCBBZ-UHFFFAOYSA-N -1 1 314.309 0.916 20 0 DCADMM CO[C@@H]1CC[C@@H]2OCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C1 ZINC000826145261 608437293 /nfs/dbraw/zinc/43/72/93/608437293.db2.gz CNGGLULEZXXSPJ-USWWRNFRSA-N -1 1 317.353 0.429 20 0 DCADMM CO[C@@H]1CC[C@@H]2OCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C1 ZINC000826145261 608437294 /nfs/dbraw/zinc/43/72/94/608437294.db2.gz CNGGLULEZXXSPJ-USWWRNFRSA-N -1 1 317.353 0.429 20 0 DCADMM NC(=O)[C@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826388920 608437493 /nfs/dbraw/zinc/43/74/93/608437493.db2.gz MDWLKGHHHNYVOW-NSHDSACASA-N -1 1 310.321 0.165 20 0 DCADMM NC(=O)[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826388920 608437495 /nfs/dbraw/zinc/43/74/95/608437495.db2.gz MDWLKGHHHNYVOW-NSHDSACASA-N -1 1 310.321 0.165 20 0 DCADMM COC(=O)[C@@](C)(NCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000826098401 608458634 /nfs/dbraw/zinc/45/86/34/608458634.db2.gz DFEMCUBBYSPCMN-AWEZNQCLSA-N -1 1 302.338 0.693 20 0 DCADMM COC(=O)[C@@](C)(NCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC000826098401 608458635 /nfs/dbraw/zinc/45/86/35/608458635.db2.gz DFEMCUBBYSPCMN-AWEZNQCLSA-N -1 1 302.338 0.693 20 0 DCADMM O=S1(=O)CC[C@@H](N(Cc2ccc(-c3nnn[n-]3)o2)C2CC2)C1 ZINC000826497140 608545047 /nfs/dbraw/zinc/54/50/47/608545047.db2.gz VTKQNUHINCUTSW-SNVBAGLBSA-N -1 1 323.378 0.611 20 0 DCADMM O=S1(=O)CC[C@@H](N(Cc2ccc(-c3nn[n-]n3)o2)C2CC2)C1 ZINC000826497140 608545048 /nfs/dbraw/zinc/54/50/48/608545048.db2.gz VTKQNUHINCUTSW-SNVBAGLBSA-N -1 1 323.378 0.611 20 0 DCADMM O=S1(=O)CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826497067 608552896 /nfs/dbraw/zinc/55/28/96/608552896.db2.gz SYVDLLIXEVYSRN-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM O=S1(=O)CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826497067 608552899 /nfs/dbraw/zinc/55/28/99/608552899.db2.gz SYVDLLIXEVYSRN-UHFFFAOYSA-N -1 1 323.382 0.284 20 0 DCADMM Cc1onc(CC(=O)N2CCOC3(CCC3)C2)c1-c1nnn[n-]1 ZINC000826344582 609468954 /nfs/dbraw/zinc/46/89/54/609468954.db2.gz LSUJGRVGORCQRG-UHFFFAOYSA-N -1 1 318.337 0.487 20 0 DCADMM Cc1onc(CC(=O)N2CCOC3(CCC3)C2)c1-c1nn[n-]n1 ZINC000826344582 609468955 /nfs/dbraw/zinc/46/89/55/609468955.db2.gz LSUJGRVGORCQRG-UHFFFAOYSA-N -1 1 318.337 0.487 20 0 DCADMM Cc1onc(CC(=O)NCC(=O)C(C)(C)C)c1-c1nnn[n-]1 ZINC000826346157 609469157 /nfs/dbraw/zinc/46/91/57/609469157.db2.gz DVLZFEAOVLZBFC-UHFFFAOYSA-N -1 1 306.326 0.437 20 0 DCADMM Cc1onc(CC(=O)NCC(=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC000826346157 609469160 /nfs/dbraw/zinc/46/91/60/609469160.db2.gz DVLZFEAOVLZBFC-UHFFFAOYSA-N -1 1 306.326 0.437 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccns2)C1 ZINC000885028789 667638480 /nfs/dbraw/zinc/63/84/80/667638480.db2.gz NEMKDDMFFHQYEN-DTWKUNHWSA-N -1 1 324.449 0.777 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)C2CCCC2)nc1=O ZINC001027718565 660650614 /nfs/dbraw/zinc/65/06/14/660650614.db2.gz VBLRLJXTFHSPIF-GFCCVEGCSA-N -1 1 307.398 0.379 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2ccco2)CCO1 ZINC000979169784 660675820 /nfs/dbraw/zinc/67/58/20/660675820.db2.gz SIVWAGQNVUCHTC-MWLCHTKSSA-N -1 1 321.337 0.123 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)C2(C)CC2)CCO1 ZINC000979303995 660706163 /nfs/dbraw/zinc/70/61/63/660706163.db2.gz PQFGMTLXVJXMHQ-VHSXEESVSA-N -1 1 309.370 0.016 20 0 DCADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC000979432986 660745235 /nfs/dbraw/zinc/74/52/35/660745235.db2.gz QJTONQSEGMFLJF-ZJUUUORDSA-N -1 1 311.386 0.262 20 0 DCADMM COC(=O)c1ccc(C(=O)O[C@H]2CN(C)[C@](C)(C(=O)OC)C2)[n-]1 ZINC000893569221 660819225 /nfs/dbraw/zinc/81/92/25/660819225.db2.gz AKUJCBACMFRKMF-PSLIRLAXSA-N -1 1 324.333 0.594 20 0 DCADMM CC1(C(=O)N2C[C@@H]3CC[C@H](NC(=O)c4cnn[nH]4)[C@H]3C2)CC1 ZINC000979840663 660826661 /nfs/dbraw/zinc/82/66/61/660826661.db2.gz NEKATAOXGQQTLW-DCAQKATOSA-N -1 1 303.366 0.572 20 0 DCADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000936710294 661111916 /nfs/dbraw/zinc/11/19/16/661111916.db2.gz AJQOUTJINRGNFA-JTQLQIEISA-N -1 1 315.333 0.497 20 0 DCADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000936710294 661111917 /nfs/dbraw/zinc/11/19/17/661111917.db2.gz AJQOUTJINRGNFA-JTQLQIEISA-N -1 1 315.333 0.497 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)nc1=O ZINC000981798646 661220930 /nfs/dbraw/zinc/22/09/30/661220930.db2.gz QXRPIORJVCCUNK-ITGUQSILSA-N -1 1 319.409 0.189 20 0 DCADMM Cc1ncc(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)n1C ZINC000998162721 665408958 /nfs/dbraw/zinc/40/89/58/665408958.db2.gz IPMUBAKUCKSUHE-UHFFFAOYSA-N -1 1 315.333 0.084 20 0 DCADMM O=C(CN1CCC[C@@H](OCCO)C1)[N-]OCc1ccccc1 ZINC000180496139 665440397 /nfs/dbraw/zinc/44/03/97/665440397.db2.gz LVUMWPLXMMKNRW-OAHLLOKOSA-N -1 1 308.378 0.708 20 0 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671453752 /nfs/dbraw/zinc/45/37/52/671453752.db2.gz KDAMSXUWTPRBQA-CYBMUJFWSA-N -1 1 308.342 0.373 20 0 DCADMM CCC[C@@](C)(O)CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825232760 671453754 /nfs/dbraw/zinc/45/37/54/671453754.db2.gz KDAMSXUWTPRBQA-CYBMUJFWSA-N -1 1 308.342 0.373 20 0 DCADMM CCCCNC(=O)Cn1ncc(C(=O)OCC)c1-c1nn[n-]n1 ZINC000825285017 671455323 /nfs/dbraw/zinc/45/53/23/671455323.db2.gz GJZODMOXUBAEGL-UHFFFAOYSA-N -1 1 321.341 0.156 20 0 DCADMM CCOC(=O)c1cnn(CC(=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC000825565090 671465794 /nfs/dbraw/zinc/46/57/94/671465794.db2.gz LPMCSXCHTKUHSZ-UHFFFAOYSA-N -1 1 306.326 0.855 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H]2C[C@@H](C)O)c1-c1nnn[n-]1 ZINC000826344349 671484395 /nfs/dbraw/zinc/48/43/95/671484395.db2.gz FMALWRVNBBETKV-SCZZXKLOSA-N -1 1 320.353 0.468 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@H]2C[C@@H](C)O)c1-c1nn[n-]n1 ZINC000826344349 671484396 /nfs/dbraw/zinc/48/43/96/671484396.db2.gz FMALWRVNBBETKV-SCZZXKLOSA-N -1 1 320.353 0.468 20 0 DCADMM 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ZINC001578404490 1165001602 /nfs/dbraw/zinc/00/16/02/1165001602.db2.gz XALKEUPSOBQWLX-UHFFFAOYSA-N -1 1 301.270 0.031 20 0 DCADMM CCOc1cnc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cn1 ZINC001578404490 1165001608 /nfs/dbraw/zinc/00/16/08/1165001608.db2.gz XALKEUPSOBQWLX-UHFFFAOYSA-N -1 1 301.270 0.031 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001578436194 1165015663 /nfs/dbraw/zinc/01/56/63/1165015663.db2.gz FWELRCZSYXZOSY-IVZWLZJFSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001578436194 1165015668 /nfs/dbraw/zinc/01/56/68/1165015668.db2.gz FWELRCZSYXZOSY-IVZWLZJFSA-N -1 1 316.369 0.619 20 0 DCADMM O=C(C=Cc1ccc[nH]1)N[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001578551730 1165056271 /nfs/dbraw/zinc/05/62/71/1165056271.db2.gz LKGJJMUOVRFJPN-PJAPWPDISA-N -1 1 300.322 0.223 20 0 DCADMM CCc1nc(N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc(-c2nnn[n-]2)n1 ZINC001578644045 1165075114 /nfs/dbraw/zinc/07/51/14/1165075114.db2.gz COJLNOWADGBUHZ-UIKWRGBMSA-N -1 1 319.369 0.295 20 0 DCADMM CCc1nc(N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc(-c2nn[n-]n2)n1 ZINC001578644045 1165075121 /nfs/dbraw/zinc/07/51/21/1165075121.db2.gz COJLNOWADGBUHZ-UIKWRGBMSA-N -1 1 319.369 0.295 20 0 DCADMM CN(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)C1(C)CC1 ZINC001579149847 1165224832 /nfs/dbraw/zinc/22/48/32/1165224832.db2.gz KYRFZHAKHXJWCK-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)C1(C)CC1 ZINC001579149847 1165224835 /nfs/dbraw/zinc/22/48/35/1165224835.db2.gz KYRFZHAKHXJWCK-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)CC1CC1 ZINC001579149591 1165225188 /nfs/dbraw/zinc/22/51/88/1165225188.db2.gz ARJWTIMDDUISSX-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)CC1CC1 ZINC001579149591 1165225195 /nfs/dbraw/zinc/22/51/95/1165225195.db2.gz ARJWTIMDDUISSX-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)C1CC=CC1 ZINC001579217406 1165241279 /nfs/dbraw/zinc/24/12/79/1165241279.db2.gz IDAFJBVJHTUMFF-UHFFFAOYSA-N -1 1 314.353 0.493 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)C1CC=CC1 ZINC001579217406 1165241288 /nfs/dbraw/zinc/24/12/88/1165241288.db2.gz IDAFJBVJHTUMFF-UHFFFAOYSA-N -1 1 314.353 0.493 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)c1cc[nH]c1 ZINC001579220313 1165243171 /nfs/dbraw/zinc/24/31/71/1165243171.db2.gz UVEBOSZNJGMMIZ-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)c1cc[nH]c1 ZINC001579220313 1165243179 /nfs/dbraw/zinc/24/31/79/1165243179.db2.gz UVEBOSZNJGMMIZ-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN1c2ccccc2C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1=O ZINC001579298642 1165263697 /nfs/dbraw/zinc/26/36/97/1165263697.db2.gz NKIVYBCJBLWVEN-NSHDSACASA-N -1 1 322.332 0.656 20 0 DCADMM CN1c2ccccc2C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1=O ZINC001579298642 1165263704 /nfs/dbraw/zinc/26/37/04/1165263704.db2.gz NKIVYBCJBLWVEN-NSHDSACASA-N -1 1 322.332 0.656 20 0 DCADMM COC(=O)[C@@H]1C[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@H]2C[C@H]21 ZINC001579471735 1165322156 /nfs/dbraw/zinc/32/21/56/1165322156.db2.gz BREDYMVQDZZUJJ-RGOKHQFPSA-N -1 1 317.305 0.387 20 0 DCADMM COC(=O)[C@@H]1C[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@H]2C[C@H]21 ZINC001579471735 1165322166 /nfs/dbraw/zinc/32/21/66/1165322166.db2.gz BREDYMVQDZZUJJ-RGOKHQFPSA-N -1 1 317.305 0.387 20 0 DCADMM COC(=O)[C@]12C[C@H]1CCCN2C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579475168 1165325044 /nfs/dbraw/zinc/32/50/44/1165325044.db2.gz VKFMOHFVKDXCCN-OTYXRUKQSA-N -1 1 317.305 0.627 20 0 DCADMM COC(=O)[C@]12C[C@H]1CCCN2C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579475168 1165325049 /nfs/dbraw/zinc/32/50/49/1165325049.db2.gz VKFMOHFVKDXCCN-OTYXRUKQSA-N -1 1 317.305 0.627 20 0 DCADMM COC(=O)c1oc(CNc2cncc(-c3nnn[n-]3)n2)cc1C ZINC001579493088 1165334063 /nfs/dbraw/zinc/33/40/63/1165334063.db2.gz JBMRBNPYYSHEDU-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COC(=O)c1oc(CNc2cncc(-c3nn[n-]n3)n2)cc1C ZINC001579493088 1165334069 /nfs/dbraw/zinc/33/40/69/1165334069.db2.gz JBMRBNPYYSHEDU-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM CO[C@H](C)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001579544910 1165343640 /nfs/dbraw/zinc/34/36/40/1165343640.db2.gz NSTAQYFZGOMUEY-MRVPVSSYSA-N -1 1 322.394 0.264 20 0 DCADMM CO[C@H]1COCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001579619420 1165361650 /nfs/dbraw/zinc/36/16/50/1165361650.db2.gz RVCNQVWHLQDWMK-SKDRFNHKSA-N -1 1 318.337 0.043 20 0 DCADMM CO[C@H]1COCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001579619420 1165361655 /nfs/dbraw/zinc/36/16/55/1165361655.db2.gz RVCNQVWHLQDWMK-SKDRFNHKSA-N -1 1 318.337 0.043 20 0 DCADMM COC[C@]1(C)CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001579740003 1165385318 /nfs/dbraw/zinc/38/53/18/1165385318.db2.gz KDYJTOQGWISNMW-CQSZACIVSA-N -1 1 302.338 0.760 20 0 DCADMM COC[C@]1(C)CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001579740003 1165385325 /nfs/dbraw/zinc/38/53/25/1165385325.db2.gz KDYJTOQGWISNMW-CQSZACIVSA-N -1 1 302.338 0.760 20 0 DCADMM CO[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@H]1O ZINC001579856141 1165413330 /nfs/dbraw/zinc/41/33/30/1165413330.db2.gz RSQSVBUXBDKEEJ-GHMZBOCLSA-N -1 1 313.321 0.006 20 0 DCADMM CO[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@H]1O ZINC001579856141 1165413332 /nfs/dbraw/zinc/41/33/32/1165413332.db2.gz RSQSVBUXBDKEEJ-GHMZBOCLSA-N -1 1 313.321 0.006 20 0 DCADMM COc1ncc(NC(=O)N[C@H](CO)C2CC2)cc1-c1nn[n-]n1 ZINC001580136022 1165515273 /nfs/dbraw/zinc/51/52/73/1165515273.db2.gz IVGYFMVLISKSAK-SNVBAGLBSA-N -1 1 319.325 0.163 20 0 DCADMM CS[C@@H](C)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001580193024 1165533723 /nfs/dbraw/zinc/53/37/23/1165533723.db2.gz VTIHREFPNYWLAJ-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001580193024 1165533727 /nfs/dbraw/zinc/53/37/27/1165533727.db2.gz VTIHREFPNYWLAJ-SFYZADRCSA-N -1 1 322.398 0.325 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](F)C2)cc1-c1nn[n-]n1 ZINC001580231408 1165542128 /nfs/dbraw/zinc/54/21/28/1165542128.db2.gz RUHDSAWWEFPQAF-ZCFIWIBFSA-N -1 1 324.341 0.873 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC(C)(C)C ZINC001580290231 1165560404 /nfs/dbraw/zinc/56/04/04/1165560404.db2.gz GIGSNSPPRVQIJC-VIFPVBQESA-N -1 1 318.385 0.431 20 0 DCADMM C[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)ccc1=O)c1ccccc1 ZINC001580307150 1165566295 /nfs/dbraw/zinc/56/62/95/1165566295.db2.gz LHWRPBFOQOZWNQ-LLVKDONJSA-N -1 1 324.344 0.906 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CC1(C)C ZINC001580413386 1165595189 /nfs/dbraw/zinc/59/51/89/1165595189.db2.gz IJBFIBIMZFVEEU-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CC1(C)C ZINC001580413386 1165595200 /nfs/dbraw/zinc/59/52/00/1165595200.db2.gz IJBFIBIMZFVEEU-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001580454768 1165607333 /nfs/dbraw/zinc/60/73/33/1165607333.db2.gz QPLIWMHVGXLFOV-AQHVTNBVSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001580454768 1165607335 /nfs/dbraw/zinc/60/73/35/1165607335.db2.gz QPLIWMHVGXLFOV-AQHVTNBVSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@]12CN(Cc3ccc(-c4nnn[n-]4)o3)C[C@H]1CS(=O)(=O)C2 ZINC001580460950 1165607775 /nfs/dbraw/zinc/60/77/75/1165607775.db2.gz VZVZEVGCUHBRSL-TVQRCGJNSA-N -1 1 323.378 0.326 20 0 DCADMM C[C@]12CN(Cc3ccc(-c4nn[n-]n4)o3)C[C@H]1CS(=O)(=O)C2 ZINC001580460950 1165607783 /nfs/dbraw/zinc/60/77/83/1165607783.db2.gz VZVZEVGCUHBRSL-TVQRCGJNSA-N -1 1 323.378 0.326 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CSC1(C)C ZINC001580603384 1165652951 /nfs/dbraw/zinc/65/29/51/1165652951.db2.gz LOQOUWKHPMLGNN-QMMMGPOBSA-N -1 1 320.378 0.900 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H](C)NC(=O)C(C)C)n1 ZINC001580685337 1165687032 /nfs/dbraw/zinc/68/70/32/1165687032.db2.gz QNJGAZVPOBQRMV-NXEZZACHSA-N -1 1 318.385 0.926 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H](C)NC(=O)C(C)C)n1 ZINC001580685337 1165687033 /nfs/dbraw/zinc/68/70/33/1165687033.db2.gz QNJGAZVPOBQRMV-NXEZZACHSA-N -1 1 318.385 0.926 20 0 DCADMM Cc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1 ZINC001581200456 1165796455 /nfs/dbraw/zinc/79/64/55/1165796455.db2.gz NZKRNJXSNRZDLU-UHFFFAOYSA-N -1 1 313.321 0.587 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](c3cc(=O)[nH][nH]3)C2)n1 ZINC001581410974 1165823196 /nfs/dbraw/zinc/82/31/96/1165823196.db2.gz FVJGMKGTDQYTHJ-MRVPVSSYSA-N -1 1 313.325 0.388 20 0 DCADMM Cc1nc(NCc2ccc(CC(N)=O)cc2)cc(-c2nnn[n-]2)n1 ZINC001581526347 1165838857 /nfs/dbraw/zinc/83/88/57/1165838857.db2.gz UFXRSEBNZSYHMN-UHFFFAOYSA-N -1 1 324.348 0.605 20 0 DCADMM Cc1nc(NCc2ccc(CC(N)=O)cc2)cc(-c2nn[n-]n2)n1 ZINC001581526347 1165838863 /nfs/dbraw/zinc/83/88/63/1165838863.db2.gz UFXRSEBNZSYHMN-UHFFFAOYSA-N -1 1 324.348 0.605 20 0 DCADMM Cc1nccc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001581556228 1165843351 /nfs/dbraw/zinc/84/33/51/1165843351.db2.gz GZQYJVLXQLICSR-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1nccc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001581556228 1165843357 /nfs/dbraw/zinc/84/33/57/1165843357.db2.gz GZQYJVLXQLICSR-UHFFFAOYSA-N -1 1 317.338 0.743 20 0 DCADMM Cc1n[nH]c(=O)c(CNC(=O)c2coc(-c3nnn[n-]3)c2)c1C ZINC001581612016 1165848705 /nfs/dbraw/zinc/84/87/05/1165848705.db2.gz INFIFMITADTDTH-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM Cc1n[nH]c(=O)c(CNC(=O)c2coc(-c3nn[n-]n3)c2)c1C ZINC001581612016 1165848712 /nfs/dbraw/zinc/84/87/12/1165848712.db2.gz INFIFMITADTDTH-UHFFFAOYSA-N -1 1 315.293 0.502 20 0 DCADMM Cc1oc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc1C1CC1 ZINC001581729957 1165861439 /nfs/dbraw/zinc/86/14/39/1165861439.db2.gz WLLCBSYCFFXHOY-UHFFFAOYSA-N -1 1 315.297 0.271 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)c1-c1nnn[n-]1 ZINC001581739858 1165862231 /nfs/dbraw/zinc/86/22/31/1165862231.db2.gz ZKUXTWJZIGGKSQ-JGVFFNPUSA-N -1 1 324.291 0.819 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)c1-c1nn[n-]n1 ZINC001581739858 1165862235 /nfs/dbraw/zinc/86/22/35/1165862235.db2.gz ZKUXTWJZIGGKSQ-JGVFFNPUSA-N -1 1 324.291 0.819 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[C@@H]([S@@](C)=O)C1 ZINC001581726975 1165862685 /nfs/dbraw/zinc/86/26/85/1165862685.db2.gz CWRGBVMDXHYSNL-PGJXFVMDSA-N -1 1 323.378 0.798 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[C@@H]([S@@](C)=O)C1 ZINC001581726975 1165862694 /nfs/dbraw/zinc/86/26/94/1165862694.db2.gz CWRGBVMDXHYSNL-PGJXFVMDSA-N -1 1 323.378 0.798 20 0 DCADMM Cc1oc(NC(=O)CN2NC(=O)C[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC001581730034 1165862824 /nfs/dbraw/zinc/86/28/24/1165862824.db2.gz YYRVNAVMRQMXGE-LURJTMIESA-N -1 1 319.325 0.140 20 0 DCADMM Cn1c(=O)[nH]c(Oc2cc(F)cc(F)c2)c(-c2nn[n-]n2)c1=O ZINC001581747632 1165864377 /nfs/dbraw/zinc/86/43/77/1165864377.db2.gz SCABWOPCCMUUNS-UHFFFAOYSA-N -1 1 322.231 0.324 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1cncc(F)c1 ZINC001581908824 1165908714 /nfs/dbraw/zinc/90/87/14/1165908714.db2.gz DDVXOPXGBUYBAT-OWOJBTEDSA-N -1 1 300.257 0.533 20 0 DCADMM O=C(C1CC1)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001581921945 1165915545 /nfs/dbraw/zinc/91/55/45/1165915545.db2.gz BVAXIMHRRLQWFH-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C1CC1)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001581921945 1165915549 /nfs/dbraw/zinc/91/55/49/1165915549.db2.gz BVAXIMHRRLQWFH-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(Cc1ccon1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582167583 1165974133 /nfs/dbraw/zinc/97/41/33/1165974133.db2.gz XZRJAIZJTONTCL-UHFFFAOYSA-N -1 1 320.259 0.992 20 0 DCADMM O=C(Cc1ccon1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582167583 1165974135 /nfs/dbraw/zinc/97/41/35/1165974135.db2.gz XZRJAIZJTONTCL-UHFFFAOYSA-N -1 1 320.259 0.992 20 0 DCADMM O=C(Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2)c1ccc[nH]1 ZINC001582185858 1165979393 /nfs/dbraw/zinc/97/93/93/1165979393.db2.gz WKICYKQNXGGXIK-UHFFFAOYSA-N -1 1 310.317 0.728 20 0 DCADMM O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001582258128 1165992091 /nfs/dbraw/zinc/99/20/91/1165992091.db2.gz NQOBZKFQGIFVTB-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001582258128 1165992094 /nfs/dbraw/zinc/99/20/94/1165992094.db2.gz NQOBZKFQGIFVTB-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@H]1CCC2(C1)OCCO2)c1cccc(-c2nnn[n-]2)n1 ZINC001582276501 1165996082 /nfs/dbraw/zinc/99/60/82/1165996082.db2.gz GUPWUCMZCHTBFN-VIFPVBQESA-N -1 1 316.321 0.287 20 0 DCADMM O=C(N[C@H]1CCC2(C1)OCCO2)c1cccc(-c2nn[n-]n2)n1 ZINC001582276501 1165996087 /nfs/dbraw/zinc/99/60/87/1165996087.db2.gz GUPWUCMZCHTBFN-VIFPVBQESA-N -1 1 316.321 0.287 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1O ZINC001582559090 1166043055 /nfs/dbraw/zinc/04/30/55/1166043055.db2.gz PGTDGVQFIPGACK-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1O ZINC001582559090 1166043062 /nfs/dbraw/zinc/04/30/62/1166043062.db2.gz PGTDGVQFIPGACK-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(N[C@H](CO)C(F)(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001582586538 1166050087 /nfs/dbraw/zinc/05/00/87/1166050087.db2.gz VYOTWROWGXLCGE-SSDOTTSWSA-N -1 1 319.218 0.659 20 0 DCADMM O=C(N[C@H](CO)C(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001582586538 1166050092 /nfs/dbraw/zinc/05/00/92/1166050092.db2.gz VYOTWROWGXLCGE-SSDOTTSWSA-N -1 1 319.218 0.659 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1n[nH]c2c1CCCCC2 ZINC001582632124 1166056259 /nfs/dbraw/zinc/05/62/59/1166056259.db2.gz WMEBOYXYCJPPLQ-UHFFFAOYSA-N -1 1 313.325 0.834 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1n[nH]c2c1CCCCC2 ZINC001582632124 1166056265 /nfs/dbraw/zinc/05/62/65/1166056265.db2.gz WMEBOYXYCJPPLQ-UHFFFAOYSA-N -1 1 313.325 0.834 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1c[nH]nc1[C@H]1CCCO1 ZINC001582631708 1166056934 /nfs/dbraw/zinc/05/69/34/1166056934.db2.gz MVVPBJDBNBPCIJ-MRVPVSSYSA-N -1 1 315.297 0.417 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCc2c(=O)[nH]cnc21 ZINC001582701087 1166067837 /nfs/dbraw/zinc/06/78/37/1166067837.db2.gz GILUCNWLFBRLSE-UHFFFAOYSA-N -1 1 324.304 0.350 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCc2c(=O)[nH]cnc21 ZINC001582701087 1166067842 /nfs/dbraw/zinc/06/78/42/1166067842.db2.gz GILUCNWLFBRLSE-UHFFFAOYSA-N -1 1 324.304 0.350 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H](CCO)CC1 ZINC001582708864 1166069149 /nfs/dbraw/zinc/06/91/49/1166069149.db2.gz YPDBWCMEWQQRKF-NSHDSACASA-N -1 1 316.365 0.886 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H](CCO)CC1 ZINC001582708864 1166069155 /nfs/dbraw/zinc/06/91/55/1166069155.db2.gz YPDBWCMEWQQRKF-NSHDSACASA-N -1 1 316.365 0.886 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCC2(C1)OCCO2 ZINC001582745044 1166074670 /nfs/dbraw/zinc/07/46/70/1166074670.db2.gz PRLBAJRGLSFUGC-UHFFFAOYSA-N -1 1 321.362 0.907 20 0 DCADMM O=c1ccncn1CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001582808306 1166087738 /nfs/dbraw/zinc/08/77/38/1166087738.db2.gz CZAGHNVCAYFNDE-UHFFFAOYSA-N -1 1 324.757 0.645 20 0 DCADMM OC[C@@H](Cc1ccc(O)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001582813793 1166093225 /nfs/dbraw/zinc/09/32/25/1166093225.db2.gz DMDOMBNUZSTIJG-SNVBAGLBSA-N -1 1 313.321 0.378 20 0 DCADMM OC[C@@H](Cc1ccc(O)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001582813793 1166093229 /nfs/dbraw/zinc/09/32/29/1166093229.db2.gz DMDOMBNUZSTIJG-SNVBAGLBSA-N -1 1 313.321 0.378 20 0 DCADMM c1sc(CNc2ccc3nccnc3n2)nc1-c1nnn[n-]1 ZINC001582818497 1166098515 /nfs/dbraw/zinc/09/85/15/1166098515.db2.gz FOXMBNYGZIMRKY-UHFFFAOYSA-N -1 1 311.334 0.647 20 0 DCADMM c1sc(CNc2ccc3nccnc3n2)nc1-c1nn[n-]n1 ZINC001582818497 1166098519 /nfs/dbraw/zinc/09/85/19/1166098519.db2.gz FOXMBNYGZIMRKY-UHFFFAOYSA-N -1 1 311.334 0.647 20 0 DCADMM CCS(=O)(=O)NCCCNC(=O)c1cccc([O-])c1F ZINC001583985418 1166298175 /nfs/dbraw/zinc/29/81/75/1166298175.db2.gz SNXPWQRSRGHDSJ-UHFFFAOYSA-N -1 1 304.343 0.591 20 0 DCADMM O=C(NCc1nn[n-]n1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001584968030 1166391181 /nfs/dbraw/zinc/39/11/81/1166391181.db2.gz NYIRLQVZYCXMPB-UHFFFAOYSA-N -1 1 312.215 0.191 20 0 DCADMM O=Cc1cc(F)c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1F ZINC001585182852 1166409726 /nfs/dbraw/zinc/40/97/26/1166409726.db2.gz BPSYYTBUOMFLMI-LLVKDONJSA-N -1 1 323.259 0.504 20 0 DCADMM CSCC[C@H](NC(=O)Cc1ccnc(F)c1)c1nn[n-]n1 ZINC001585197613 1166410620 /nfs/dbraw/zinc/41/06/20/1166410620.db2.gz XGLRAUSSMKCEQA-VIFPVBQESA-N -1 1 310.358 0.887 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cc(F)c[nH]c1=O ZINC001586105516 1166479991 /nfs/dbraw/zinc/47/99/91/1166479991.db2.gz PEKJLFKVJNGYRM-NSHDSACASA-N -1 1 314.280 0.959 20 0 DCADMM CC(=CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)c1cnccn1 ZINC001588764887 1166587210 /nfs/dbraw/zinc/58/72/10/1166587210.db2.gz DGSNRWRMRFLLLB-ALCCZGGFSA-N -1 1 311.309 0.730 20 0 DCADMM CC(=O)N1CCC[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588815977 1166598473 /nfs/dbraw/zinc/59/84/73/1166598473.db2.gz OKYPVKCDFAHHMQ-GXSJLCMTSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588815977 1166598480 /nfs/dbraw/zinc/59/84/80/1166598480.db2.gz OKYPVKCDFAHHMQ-GXSJLCMTSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001588818906 1166598534 /nfs/dbraw/zinc/59/85/34/1166598534.db2.gz GGWWQNNYCFTLML-UHFFFAOYSA-N -1 1 307.383 0.690 20 0 DCADMM CC(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588839301 1166603535 /nfs/dbraw/zinc/60/35/35/1166603535.db2.gz BWTFICPLDYPVGT-UWVGGRQHSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588839301 1166603538 /nfs/dbraw/zinc/60/35/38/1166603538.db2.gz BWTFICPLDYPVGT-UWVGGRQHSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@@H](C)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001588832003 1166603806 /nfs/dbraw/zinc/60/38/06/1166603806.db2.gz HKAQNYCVXGEXED-QMMMGPOBSA-N -1 1 315.337 0.066 20 0 DCADMM CC(=O)N[C@@H](C)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001588832003 1166603811 /nfs/dbraw/zinc/60/38/11/1166603811.db2.gz HKAQNYCVXGEXED-QMMMGPOBSA-N -1 1 315.337 0.066 20 0 DCADMM CC(=O)N[C@@H]1CC[C@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588840170 1166604936 /nfs/dbraw/zinc/60/49/36/1166604936.db2.gz OUBILOAOMGDCJJ-WCBMZHEXSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001588841941 1166605564 /nfs/dbraw/zinc/60/55/64/1166605564.db2.gz SPWBIRSIAIFING-WCBMZHEXSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001588841941 1166605568 /nfs/dbraw/zinc/60/55/68/1166605568.db2.gz SPWBIRSIAIFING-WCBMZHEXSA-N -1 1 302.342 0.150 20 0 DCADMM C[C@@H](C(=O)N(C)CCC(F)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588940990 1166619944 /nfs/dbraw/zinc/61/99/44/1166619944.db2.gz ZUTVTQQIIBRYBX-LURJTMIESA-N -1 1 318.263 0.430 20 0 DCADMM C[C@H](C(=O)N1CCC[C@H](CF)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588954854 1166621181 /nfs/dbraw/zinc/62/11/81/1166621181.db2.gz PGZQQSSGOFOSBC-RKDXNWHRSA-N -1 1 308.321 0.227 20 0 DCADMM C[C@H](C(=O)N1CC(c2ccccc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588944980 1166621885 /nfs/dbraw/zinc/62/18/85/1166621885.db2.gz HFQRYECLGPEIPM-SNVBAGLBSA-N -1 1 324.348 0.645 20 0 DCADMM C[C@@H](C(=O)N(C)Cc1cccs1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943471 1166622213 /nfs/dbraw/zinc/62/22/13/1166622213.db2.gz PHNYKUDLGDXRPQ-QMMMGPOBSA-N -1 1 318.366 0.739 20 0 DCADMM C[C@@H](C(=O)NC[C@@]1(C)CCCS1)n1cnc(-c2nn[n-]n2)n1 ZINC001588978816 1166624415 /nfs/dbraw/zinc/62/44/15/1166624415.db2.gz OTJVSIAVSJOIPF-QPUJVOFHSA-N -1 1 322.398 0.421 20 0 DCADMM C[C@H](C(=O)NCC[C@H]1CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588985029 1166627464 /nfs/dbraw/zinc/62/74/64/1166627464.db2.gz HDRFAMYIEIUGCO-RQJHMYQMSA-N -1 1 312.284 0.181 20 0 DCADMM C[C@@H](C(=O)Nc1ccc(F)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589016152 1166629178 /nfs/dbraw/zinc/62/91/78/1166629178.db2.gz YWGRVAQELVLPIH-ZETCQYMHSA-N -1 1 302.273 0.797 20 0 DCADMM C[C@H](C(=O)Nc1cc(F)ccn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589011990 1166629307 /nfs/dbraw/zinc/62/93/07/1166629307.db2.gz SFXSKGSYCWEAOQ-ZCFIWIBFSA-N -1 1 303.261 0.192 20 0 DCADMM C[C@H](C(=O)OCc1cccs1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029486 1166631668 /nfs/dbraw/zinc/63/16/68/1166631668.db2.gz BTQNLWPWOYLKGB-SSDOTTSWSA-N -1 1 305.323 0.824 20 0 DCADMM CC(C)(C)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1=O ZINC001589133652 1166637624 /nfs/dbraw/zinc/63/76/24/1166637624.db2.gz ACPBHAASXBWKHM-MRVPVSSYSA-N -1 1 318.337 0.589 20 0 DCADMM CC(C)(C)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1=O ZINC001589133652 1166637629 /nfs/dbraw/zinc/63/76/29/1166637629.db2.gz ACPBHAASXBWKHM-MRVPVSSYSA-N -1 1 318.337 0.589 20 0 DCADMM CC(C)(O)C1CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589327889 1166646437 /nfs/dbraw/zinc/64/64/37/1166646437.db2.gz PFAZRYXBJLKPOF-UHFFFAOYSA-N -1 1 303.326 0.496 20 0 DCADMM CC(C)(O)C1CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589327889 1166646441 /nfs/dbraw/zinc/64/64/41/1166646441.db2.gz PFAZRYXBJLKPOF-UHFFFAOYSA-N -1 1 303.326 0.496 20 0 DCADMM CC(C)(O)[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001589327905 1166648027 /nfs/dbraw/zinc/64/80/27/1166648027.db2.gz PRBPRFLHGCAAAO-VIFPVBQESA-N -1 1 302.338 0.495 20 0 DCADMM CC(C)(O)[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001589327905 1166648035 /nfs/dbraw/zinc/64/80/35/1166648035.db2.gz PRBPRFLHGCAAAO-VIFPVBQESA-N -1 1 302.338 0.495 20 0 DCADMM CC(C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001589403317 1166654009 /nfs/dbraw/zinc/65/40/09/1166654009.db2.gz BTDLMAXWHKBAQP-UHFFFAOYSA-N -1 1 302.342 0.373 20 0 DCADMM CC(C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001589403317 1166654012 /nfs/dbraw/zinc/65/40/12/1166654012.db2.gz BTDLMAXWHKBAQP-UHFFFAOYSA-N -1 1 302.342 0.373 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589403666 1166654392 /nfs/dbraw/zinc/65/43/92/1166654392.db2.gz GPXNIFDNCIWVPX-SECBINFHSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589403666 1166654398 /nfs/dbraw/zinc/65/43/98/1166654398.db2.gz GPXNIFDNCIWVPX-SECBINFHSA-N -1 1 302.342 0.008 20 0 DCADMM CC(C)CC(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001589534128 1166664706 /nfs/dbraw/zinc/66/47/06/1166664706.db2.gz PKUOEMJBEOFLKY-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CC(C)CC(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001589534128 1166664711 /nfs/dbraw/zinc/66/47/11/1166664711.db2.gz PKUOEMJBEOFLKY-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CC(C)C[C@@H](C(N)=O)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001589541949 1166665211 /nfs/dbraw/zinc/66/52/11/1166665211.db2.gz OJDWCAQHAYUACS-JTQLQIEISA-N -1 1 318.337 0.453 20 0 DCADMM CC(C)C[C@@H](C(N)=O)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001589541949 1166665217 /nfs/dbraw/zinc/66/52/17/1166665217.db2.gz OJDWCAQHAYUACS-JTQLQIEISA-N -1 1 318.337 0.453 20 0 DCADMM CC(C)N(CCOCCO)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589692680 1166673429 /nfs/dbraw/zinc/67/34/29/1166673429.db2.gz YWNWWVVKYWDLBE-UHFFFAOYSA-N -1 1 320.353 0.121 20 0 DCADMM CC(C)N(CCOCCO)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589692680 1166673438 /nfs/dbraw/zinc/67/34/38/1166673438.db2.gz YWNWWVVKYWDLBE-UHFFFAOYSA-N -1 1 320.353 0.121 20 0 DCADMM CC(C)OC(=O)CC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589802531 1166690124 /nfs/dbraw/zinc/69/01/24/1166690124.db2.gz KFVNBMGJOZDZGU-VIFPVBQESA-N -1 1 305.342 0.611 20 0 DCADMM C[C@@H](CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1)[S@@](C)=O ZINC001589824825 1166693558 /nfs/dbraw/zinc/69/35/58/1166693558.db2.gz CUONQMXEDLTWHG-QSIZCVBASA-N -1 1 323.382 0.540 20 0 DCADMM C[C@@H](CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1)[S@@](C)=O ZINC001589824825 1166693562 /nfs/dbraw/zinc/69/35/62/1166693562.db2.gz CUONQMXEDLTWHG-QSIZCVBASA-N -1 1 323.382 0.540 20 0 DCADMM C[C@H](CCNC(=O)c1csc(-c2nn[n-]n2)c1)[S@](C)=O ZINC001589826192 1166694805 /nfs/dbraw/zinc/69/48/05/1166694805.db2.gz KGTAFTDOERSQIC-GLEHDBDLSA-N -1 1 313.408 0.815 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1CC1 ZINC001589879563 1166705572 /nfs/dbraw/zinc/70/55/72/1166705572.db2.gz SLRJYYZTJSUGRX-MRVPVSSYSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1CC1 ZINC001589879563 1166705578 /nfs/dbraw/zinc/70/55/78/1166705578.db2.gz SLRJYYZTJSUGRX-MRVPVSSYSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@@H](O)[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589997112 1166742369 /nfs/dbraw/zinc/74/23/69/1166742369.db2.gz QNPDFFNPOMLBJH-MFKMUULPSA-N -1 1 316.365 0.566 20 0 DCADMM C[C@@H](O)[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589997112 1166742374 /nfs/dbraw/zinc/74/23/74/1166742374.db2.gz QNPDFFNPOMLBJH-MFKMUULPSA-N -1 1 316.365 0.566 20 0 DCADMM C[C@H](O)[C@H]1CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001589995617 1166742622 /nfs/dbraw/zinc/74/26/22/1166742622.db2.gz MVFSDBGXSWIPDT-YUMQZZPRSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@H](O)[C@H]1CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001589995617 1166742628 /nfs/dbraw/zinc/74/26/28/1166742628.db2.gz MVFSDBGXSWIPDT-YUMQZZPRSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H](O)CN(C)c1cc(Br)cnc1-c1nnn[n-]1 ZINC001590000709 1166749077 /nfs/dbraw/zinc/74/90/77/1166749077.db2.gz PMLYZLRKQSOCHI-ZCFIWIBFSA-N -1 1 313.159 0.841 20 0 DCADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ncnn1C ZINC001590009698 1166752322 /nfs/dbraw/zinc/75/23/22/1166752322.db2.gz HUKNEWMFEZXSIZ-LURJTMIESA-N -1 1 305.323 0.975 20 0 DCADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ncnn1C ZINC001590009698 1166752328 /nfs/dbraw/zinc/75/23/28/1166752328.db2.gz HUKNEWMFEZXSIZ-LURJTMIESA-N -1 1 305.323 0.975 20 0 DCADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1nncn1C ZINC001590015771 1166754211 /nfs/dbraw/zinc/75/42/11/1166754211.db2.gz LAXJLWRWKCGTNA-LURJTMIESA-N -1 1 305.323 0.975 20 0 DCADMM CC1(C)CN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)CC[NH2+]1 ZINC001590105622 1166774903 /nfs/dbraw/zinc/77/49/03/1166774903.db2.gz FATPCCRRJHLGMM-UHFFFAOYSA-N -1 1 322.394 0.239 20 0 DCADMM CC1(C)C[S@@](=O)CCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC001590111125 1166776207 /nfs/dbraw/zinc/77/62/07/1166776207.db2.gz HLTTXLWVSHECOB-NRFANRHFSA-N -1 1 306.395 0.605 20 0 DCADMM CC1(C)C[S@@](=O)CCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001590111125 1166776210 /nfs/dbraw/zinc/77/62/10/1166776210.db2.gz HLTTXLWVSHECOB-NRFANRHFSA-N -1 1 306.395 0.605 20 0 DCADMM C[C@@]1(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCOC1 ZINC001590126771 1166781364 /nfs/dbraw/zinc/78/13/64/1166781364.db2.gz HVCCSANINGMWBE-AWEZNQCLSA-N -1 1 302.338 0.347 20 0 DCADMM C[C@@]1(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCOC1 ZINC001590126771 1166781371 /nfs/dbraw/zinc/78/13/71/1166781371.db2.gz HVCCSANINGMWBE-AWEZNQCLSA-N -1 1 302.338 0.347 20 0 DCADMM CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590120002 1166782774 /nfs/dbraw/zinc/78/27/74/1166782774.db2.gz WNGKHFJUVGNPCZ-CPFSXVBKSA-N -1 1 320.378 0.755 20 0 DCADMM CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590120002 1166782777 /nfs/dbraw/zinc/78/27/77/1166782777.db2.gz WNGKHFJUVGNPCZ-CPFSXVBKSA-N -1 1 320.378 0.755 20 0 DCADMM CC1(CO)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590137433 1166787463 /nfs/dbraw/zinc/78/74/63/1166787463.db2.gz YMHCZHRCXQNSNI-UHFFFAOYSA-N -1 1 317.353 0.888 20 0 DCADMM CC1(CO)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590137433 1166787466 /nfs/dbraw/zinc/78/74/66/1166787466.db2.gz YMHCZHRCXQNSNI-UHFFFAOYSA-N -1 1 317.353 0.888 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001590193650 1166805727 /nfs/dbraw/zinc/80/57/27/1166805727.db2.gz MTORMZZJPWECRV-ZJUUUORDSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001590193650 1166805734 /nfs/dbraw/zinc/80/57/34/1166805734.db2.gz MTORMZZJPWECRV-ZJUUUORDSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001590216347 1166814761 /nfs/dbraw/zinc/81/47/61/1166814761.db2.gz OQYBACSFYVXKFQ-DTWKUNHWSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@H]1C[C@H]1C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001590216347 1166814767 /nfs/dbraw/zinc/81/47/67/1166814767.db2.gz OQYBACSFYVXKFQ-DTWKUNHWSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC001590245744 1166827194 /nfs/dbraw/zinc/82/71/94/1166827194.db2.gz ZFWJEOIOFABQPE-UWVGGRQHSA-N -1 1 304.358 0.543 20 0 DCADMM C[C@H]1CCCN(C(=O)C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC001590256680 1166829532 /nfs/dbraw/zinc/82/95/32/1166829532.db2.gz JSLWRKVWPRJXTM-ZETCQYMHSA-N -1 1 321.366 0.520 20 0 DCADMM C[C@H]1CCCN(C(=O)C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC001590256680 1166829536 /nfs/dbraw/zinc/82/95/36/1166829536.db2.gz JSLWRKVWPRJXTM-ZETCQYMHSA-N -1 1 321.366 0.520 20 0 DCADMM C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590266328 1166832532 /nfs/dbraw/zinc/83/25/32/1166832532.db2.gz QKIHNWWTMXMODS-QMMMGPOBSA-N -1 1 301.310 0.069 20 0 DCADMM C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590266328 1166832538 /nfs/dbraw/zinc/83/25/38/1166832538.db2.gz QKIHNWWTMXMODS-QMMMGPOBSA-N -1 1 301.310 0.069 20 0 DCADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1CO ZINC001590270322 1166832666 /nfs/dbraw/zinc/83/26/66/1166832666.db2.gz UGSSFUWMWMGGKV-GXSJLCMTSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1CO ZINC001590270322 1166832670 /nfs/dbraw/zinc/83/26/70/1166832670.db2.gz UGSSFUWMWMGGKV-GXSJLCMTSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)CCS1(=O)=O ZINC001590272860 1166835640 /nfs/dbraw/zinc/83/56/40/1166835640.db2.gz SMSVFHHKJJRGLX-SECBINFHSA-N -1 1 311.367 0.469 20 0 DCADMM C[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)o2)CCS1(=O)=O ZINC001590272860 1166835645 /nfs/dbraw/zinc/83/56/45/1166835645.db2.gz SMSVFHHKJJRGLX-SECBINFHSA-N -1 1 311.367 0.469 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590284686 1166841236 /nfs/dbraw/zinc/84/12/36/1166841236.db2.gz LSQNLQUHCBWDNW-IMSYWVGJSA-N -1 1 320.357 0.044 20 0 DCADMM C[C@@H]1CN(C)C(=O)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590304532 1166851937 /nfs/dbraw/zinc/85/19/37/1166851937.db2.gz TWTGBTGWYHJOMM-SSDOTTSWSA-N -1 1 307.745 0.582 20 0 DCADMM C[C@@H]1CN(C)C(=O)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590304532 1166851942 /nfs/dbraw/zinc/85/19/42/1166851942.db2.gz TWTGBTGWYHJOMM-SSDOTTSWSA-N -1 1 307.745 0.582 20 0 DCADMM C[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)n2)C[C@@H](C)S1=O ZINC001590309990 1166853922 /nfs/dbraw/zinc/85/39/22/1166853922.db2.gz RRFCCBWGKXSSFY-NXEZZACHSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)C[C@@H](C)S1=O ZINC001590309990 1166853927 /nfs/dbraw/zinc/85/39/27/1166853927.db2.gz RRFCCBWGKXSSFY-NXEZZACHSA-N -1 1 306.395 0.603 20 0 DCADMM C[C@@H]1CN(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)CCO1 ZINC001590311987 1166857505 /nfs/dbraw/zinc/85/75/05/1166857505.db2.gz ZFOSWQOFKGBHQY-SNVBAGLBSA-N -1 1 316.365 0.195 20 0 DCADMM C[C@@H]1CN(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2C)CCO1 ZINC001590319425 1166862240 /nfs/dbraw/zinc/86/22/40/1166862240.db2.gz BANZZDMDGSIJJH-MRVPVSSYSA-N -1 1 316.325 0.480 20 0 DCADMM C[C@@H]1CN(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2C)CCO1 ZINC001590319425 1166862245 /nfs/dbraw/zinc/86/22/45/1166862245.db2.gz BANZZDMDGSIJJH-MRVPVSSYSA-N -1 1 316.325 0.480 20 0 DCADMM C/C=C(\C)C(=O)NCCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590349780 1166879832 /nfs/dbraw/zinc/87/98/32/1166879832.db2.gz NNDPSTXTJAULTG-RUDMXATFSA-N -1 1 316.369 0.850 20 0 DCADMM C/C=C(\C)C(=O)NCCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590349780 1166879836 /nfs/dbraw/zinc/87/98/36/1166879836.db2.gz NNDPSTXTJAULTG-RUDMXATFSA-N -1 1 316.369 0.850 20 0 DCADMM C/C=C(/C)C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590350920 1166880985 /nfs/dbraw/zinc/88/09/85/1166880985.db2.gz SWBFCBJIDOBMTP-WMZJFQQLSA-N -1 1 316.369 0.565 20 0 DCADMM C/C=C(/C)C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590350920 1166880991 /nfs/dbraw/zinc/88/09/91/1166880991.db2.gz SWBFCBJIDOBMTP-WMZJFQQLSA-N -1 1 316.369 0.565 20 0 DCADMM C/C=C(\C)C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590350919 1166882315 /nfs/dbraw/zinc/88/23/15/1166882315.db2.gz SWBFCBJIDOBMTP-ONNFQVAWSA-N -1 1 316.369 0.565 20 0 DCADMM C/C=C(\C)C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590350919 1166882319 /nfs/dbraw/zinc/88/23/19/1166882319.db2.gz SWBFCBJIDOBMTP-ONNFQVAWSA-N -1 1 316.369 0.565 20 0 DCADMM C/C=C/C[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590353064 1166882727 /nfs/dbraw/zinc/88/27/27/1166882727.db2.gz NPGCZIRVGRUADX-RTMURIBGSA-N -1 1 306.330 0.049 20 0 DCADMM C/C=C/C[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590353064 1166882731 /nfs/dbraw/zinc/88/27/31/1166882731.db2.gz NPGCZIRVGRUADX-RTMURIBGSA-N -1 1 306.330 0.049 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590354498 1166882809 /nfs/dbraw/zinc/88/28/09/1166882809.db2.gz LPOPABOFECEWLV-LLGDCAAFSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590354498 1166882815 /nfs/dbraw/zinc/88/28/15/1166882815.db2.gz LPOPABOFECEWLV-LLGDCAAFSA-N -1 1 316.369 0.930 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001590360752 1166885159 /nfs/dbraw/zinc/88/51/59/1166885159.db2.gz JEKGQZFVUJSIQO-RKDXNWHRSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001590360752 1166885164 /nfs/dbraw/zinc/88/51/64/1166885164.db2.gz JEKGQZFVUJSIQO-RKDXNWHRSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N[C@H](C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590363462 1166887581 /nfs/dbraw/zinc/88/75/81/1166887581.db2.gz AMKXJIASKCWVON-DTWKUNHWSA-N -1 1 304.358 0.762 20 0 DCADMM CCC(=O)N[C@H](C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590363462 1166887588 /nfs/dbraw/zinc/88/75/88/1166887588.db2.gz AMKXJIASKCWVON-DTWKUNHWSA-N -1 1 304.358 0.762 20 0 DCADMM CCC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001590364308 1166889976 /nfs/dbraw/zinc/88/99/76/1166889976.db2.gz UESQFOBWEWNMLQ-VIFPVBQESA-N -1 1 304.358 0.041 20 0 DCADMM CC/C(C)=C/C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590387475 1166894718 /nfs/dbraw/zinc/89/47/18/1166894718.db2.gz BVDXIJVQPIJHNE-JXMROGBWSA-N -1 1 316.369 0.565 20 0 DCADMM CC/C(C)=C/C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590387475 1166894726 /nfs/dbraw/zinc/89/47/26/1166894726.db2.gz BVDXIJVQPIJHNE-JXMROGBWSA-N -1 1 316.369 0.565 20 0 DCADMM CC[C@@H](C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)OC ZINC001590399736 1166897571 /nfs/dbraw/zinc/89/75/71/1166897571.db2.gz IJCAMJTVZNTBAU-GMSGAONNSA-N -1 1 307.310 0.777 20 0 DCADMM CC[C@@H](C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)OC ZINC001590399736 1166897576 /nfs/dbraw/zinc/89/75/76/1166897576.db2.gz IJCAMJTVZNTBAU-GMSGAONNSA-N -1 1 307.310 0.777 20 0 DCADMM CC[C@H](C)NC(=O)COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590415279 1166902284 /nfs/dbraw/zinc/90/22/84/1166902284.db2.gz WEZYCCMXQKEICQ-VIFPVBQESA-N -1 1 318.337 0.262 20 0 DCADMM CC[C@H](C)NC(=O)COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590415279 1166902290 /nfs/dbraw/zinc/90/22/90/1166902290.db2.gz WEZYCCMXQKEICQ-VIFPVBQESA-N -1 1 318.337 0.262 20 0 DCADMM CCC1(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001590488569 1166922065 /nfs/dbraw/zinc/92/20/65/1166922065.db2.gz YTHUYSGWUNBFGR-UHFFFAOYSA-N -1 1 318.385 0.935 20 0 DCADMM CC[C@]1(C)CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCO1 ZINC001590490595 1166922303 /nfs/dbraw/zinc/92/23/03/1166922303.db2.gz QGRAMWGTGDLLNK-CQSZACIVSA-N -1 1 304.354 0.487 20 0 DCADMM CC[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(C)n2)C[C@H](C)[S@]1=O ZINC001590522477 1166933937 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/nfs/dbraw/zinc/26/23/57/1167262357.db2.gz SXTWACFFZLFHMR-UHFFFAOYSA-N -1 1 304.354 0.548 20 0 DCADMM COCCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591414758 1167276319 /nfs/dbraw/zinc/27/63/19/1167276319.db2.gz WEVZMEXLEWXZCT-UHFFFAOYSA-N -1 1 309.326 0.239 20 0 DCADMM COCCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591414758 1167276325 /nfs/dbraw/zinc/27/63/25/1167276325.db2.gz WEVZMEXLEWXZCT-UHFFFAOYSA-N -1 1 309.326 0.239 20 0 DCADMM COCCOC1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001591433440 1167284432 /nfs/dbraw/zinc/28/44/32/1167284432.db2.gz GAWULKDIXFHAPT-UHFFFAOYSA-N -1 1 321.337 0.727 20 0 DCADMM COCCOC1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001591433440 1167284437 /nfs/dbraw/zinc/28/44/37/1167284437.db2.gz GAWULKDIXFHAPT-UHFFFAOYSA-N -1 1 321.337 0.727 20 0 DCADMM COCCOC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591434498 1167286454 /nfs/dbraw/zinc/28/64/54/1167286454.db2.gz BNCIAAPBOMNBMM-MRVPVSSYSA-N -1 1 309.326 0.549 20 0 DCADMM COCCOC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591434498 1167286460 /nfs/dbraw/zinc/28/64/60/1167286460.db2.gz BNCIAAPBOMNBMM-MRVPVSSYSA-N -1 1 309.326 0.549 20 0 DCADMM COCCn1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)n1 ZINC001591451361 1167291607 /nfs/dbraw/zinc/29/16/07/1167291607.db2.gz MSQBLRNTHFNSQD-UHFFFAOYSA-N -1 1 320.338 0.418 20 0 DCADMM COCCn1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)n1 ZINC001591451361 1167291612 /nfs/dbraw/zinc/29/16/12/1167291612.db2.gz MSQBLRNTHFNSQD-UHFFFAOYSA-N -1 1 320.338 0.418 20 0 DCADMM COC[C@@H]1C[C@@H](O)CN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591452573 1167291636 /nfs/dbraw/zinc/29/16/36/1167291636.db2.gz CVLNLXCLZNBGTQ-VHSXEESVSA-N -1 1 317.353 0.120 20 0 DCADMM COC[C@@H]1C[C@@H](O)CN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591452573 1167291641 /nfs/dbraw/zinc/29/16/41/1167291641.db2.gz CVLNLXCLZNBGTQ-VHSXEESVSA-N -1 1 317.353 0.120 20 0 DCADMM CON(C)C1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001591465742 1167298532 /nfs/dbraw/zinc/29/85/32/1167298532.db2.gz FQZDAZIEWWUOOA-UHFFFAOYSA-N -1 1 324.291 0.463 20 0 DCADMM CON(C)C1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001591465742 1167298536 /nfs/dbraw/zinc/29/85/36/1167298536.db2.gz FQZDAZIEWWUOOA-UHFFFAOYSA-N -1 1 324.291 0.463 20 0 DCADMM CO[C@@H]1COC[C@@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591472129 1167301004 /nfs/dbraw/zinc/30/10/04/1167301004.db2.gz SAJWZJJUOLJQMX-CRCLSJGQSA-N -1 1 302.747 0.802 20 0 DCADMM CO[C@@H]1COC[C@@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591472129 1167301009 /nfs/dbraw/zinc/30/10/09/1167301009.db2.gz SAJWZJJUOLJQMX-CRCLSJGQSA-N -1 1 302.747 0.802 20 0 DCADMM CO[C@@H]1COC[C@H]1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591472390 1167304458 /nfs/dbraw/zinc/30/44/58/1167304458.db2.gz RRBKNSNPEVFUCP-NXEZZACHSA-N -1 1 303.326 0.360 20 0 DCADMM CO[C@@H]1COC[C@H]1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591472390 1167304464 /nfs/dbraw/zinc/30/44/64/1167304464.db2.gz RRBKNSNPEVFUCP-NXEZZACHSA-N -1 1 303.326 0.360 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCC1OCCCO1 ZINC001591474891 1167307546 /nfs/dbraw/zinc/30/75/46/1167307546.db2.gz OUYAUODNNLSWNA-UHFFFAOYSA-N -1 1 307.310 0.190 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCc1cnn(C)c1 ZINC001591474840 1167307636 /nfs/dbraw/zinc/30/76/36/1167307636.db2.gz LIJSLONERPRPDH-UHFFFAOYSA-N -1 1 301.310 0.013 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1ncc(C)s1 ZINC001591475115 1167307814 /nfs/dbraw/zinc/30/78/14/1167307814.db2.gz QOERDAOAAOOTQK-UHFFFAOYSA-N -1 1 304.335 0.850 20 0 DCADMM COc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001591572493 1167333355 /nfs/dbraw/zinc/33/33/55/1167333355.db2.gz RJZRMUJWLXQVDH-UHFFFAOYSA-N -1 1 312.293 0.337 20 0 DCADMM COc1ccc(F)cc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001591605714 1167339690 /nfs/dbraw/zinc/33/96/90/1167339690.db2.gz DCTODIXOJSVWLC-UHFFFAOYSA-N -1 1 303.257 0.990 20 0 DCADMM COc1cccc(OC)c1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001591644411 1167340345 /nfs/dbraw/zinc/34/03/45/1167340345.db2.gz BQUFTZQHWNWCQO-UHFFFAOYSA-N -1 1 315.293 0.351 20 0 DCADMM COc1cccc(NC(=O)Cn2cc(-c3nn[n-]n3)nn2)c1 ZINC001591645685 1167340673 /nfs/dbraw/zinc/34/06/73/1167340673.db2.gz NYKPCKPISFKDGJ-UHFFFAOYSA-N -1 1 300.282 0.106 20 0 DCADMM COc1cccnc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591653920 1167342310 /nfs/dbraw/zinc/34/23/10/1167342310.db2.gz IAZZVKDGBPGUJB-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1cccnc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591653920 1167342315 /nfs/dbraw/zinc/34/23/15/1167342315.db2.gz IAZZVKDGBPGUJB-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1ncc(NC(=O)[C@H]2CO[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001591663578 1167344661 /nfs/dbraw/zinc/34/46/61/1167344661.db2.gz CELNHQBNUQOYNN-JGVFFNPUSA-N -1 1 304.310 0.634 20 0 DCADMM COc1ncc(NC(=O)N2CC[C@H](O)[C@@H]2C)cc1-c1nn[n-]n1 ZINC001591666297 1167346137 /nfs/dbraw/zinc/34/61/37/1167346137.db2.gz MPMKQIZDAFGJND-XVKPBYJWSA-N -1 1 319.325 0.257 20 0 DCADMM CS(=O)(=O)[C@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001591674247 1167348544 /nfs/dbraw/zinc/34/85/44/1167348544.db2.gz SHTCVPNLGKQBME-VIFPVBQESA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001591674247 1167348551 /nfs/dbraw/zinc/34/85/51/1167348551.db2.gz SHTCVPNLGKQBME-VIFPVBQESA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001591672801 1167348625 /nfs/dbraw/zinc/34/86/25/1167348625.db2.gz CSCOLNLFNSINRW-DTWKUNHWSA-N -1 1 323.382 0.424 20 0 DCADMM CS(=O)(=O)[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001591672801 1167348630 /nfs/dbraw/zinc/34/86/30/1167348630.db2.gz CSCOLNLFNSINRW-DTWKUNHWSA-N -1 1 323.382 0.424 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001591674246 1167349525 /nfs/dbraw/zinc/34/95/25/1167349525.db2.gz SHTCVPNLGKQBME-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001591674246 1167349531 /nfs/dbraw/zinc/34/95/31/1167349531.db2.gz SHTCVPNLGKQBME-SECBINFHSA-N -1 1 323.382 0.060 20 0 DCADMM C[S@](=O)C1(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001591683067 1167352326 /nfs/dbraw/zinc/35/23/26/1167352326.db2.gz RTUXGPGQXDPRQI-QFIPXVFZSA-N -1 1 323.353 0.647 20 0 DCADMM C[S@](=O)C1(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001591683067 1167352335 /nfs/dbraw/zinc/35/23/35/1167352335.db2.gz RTUXGPGQXDPRQI-QFIPXVFZSA-N -1 1 323.353 0.647 20 0 DCADMM CSC[C@H](C)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591696810 1167356917 /nfs/dbraw/zinc/35/69/17/1167356917.db2.gz ZEOSLCJZXZGALQ-LURJTMIESA-N -1 1 313.412 0.874 20 0 DCADMM CSC[C@H](C)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591696810 1167356921 /nfs/dbraw/zinc/35/69/21/1167356921.db2.gz ZEOSLCJZXZGALQ-LURJTMIESA-N -1 1 313.412 0.874 20 0 DCADMM CSC[C@@H](C)C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001591694883 1167357009 /nfs/dbraw/zinc/35/70/09/1167357009.db2.gz YMMDAJWXFCMNGN-MRVPVSSYSA-N -1 1 322.398 0.184 20 0 DCADMM CSC[C@@H](C)C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001591694883 1167357014 /nfs/dbraw/zinc/35/70/14/1167357014.db2.gz YMMDAJWXFCMNGN-MRVPVSSYSA-N -1 1 322.398 0.184 20 0 DCADMM C[C@@H](NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001591727915 1167364186 /nfs/dbraw/zinc/36/41/86/1167364186.db2.gz PMVXMWHMDHEOCN-MRVPVSSYSA-N -1 1 307.362 0.192 20 0 DCADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591753223 1167365537 /nfs/dbraw/zinc/36/55/37/1167365537.db2.gz JRBAATAPUCSIEM-ZIYJGFGOSA-N -1 1 320.378 0.585 20 0 DCADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591753223 1167365543 /nfs/dbraw/zinc/36/55/43/1167365543.db2.gz JRBAATAPUCSIEM-ZIYJGFGOSA-N -1 1 320.378 0.585 20 0 DCADMM C[C@@H]1C[C@H](O)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591757732 1167366098 /nfs/dbraw/zinc/36/60/98/1167366098.db2.gz NSJLGTCCGCVFLB-SCZZXKLOSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H]1C[C@H](O)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591757732 1167366103 /nfs/dbraw/zinc/36/61/03/1167366103.db2.gz NSJLGTCCGCVFLB-SCZZXKLOSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)C(C)(C)O ZINC001591768328 1167370556 /nfs/dbraw/zinc/37/05/56/1167370556.db2.gz IRRUPXUZKZYEMO-ZETCQYMHSA-N -1 1 310.383 0.887 20 0 DCADMM C[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(=O)N(C)C ZINC001591770159 1167371231 /nfs/dbraw/zinc/37/12/31/1167371231.db2.gz NUMQWUNGXCHAJH-BYPYZUCNSA-N -1 1 301.763 0.865 20 0 DCADMM C[C@H]1[C@@H](O)CCN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001591775918 1167374785 /nfs/dbraw/zinc/37/47/85/1167374785.db2.gz NDOFZKVLBXMNOE-CBAPKCEASA-N -1 1 308.367 0.593 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC001591835411 1167390146 /nfs/dbraw/zinc/39/01/46/1167390146.db2.gz WNYAXYAAMDVVHY-RKDXNWHRSA-N -1 1 300.322 0.758 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCC[C@@H](C)O ZINC001591836084 1167390637 /nfs/dbraw/zinc/39/06/37/1167390637.db2.gz WUFKVXOUDPNULD-MRVPVSSYSA-N -1 1 306.326 0.167 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H](C)CCO ZINC001591835837 1167390760 /nfs/dbraw/zinc/39/07/60/1167390760.db2.gz OFDHZJXOMOPXHI-SSDOTTSWSA-N -1 1 306.326 0.024 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCCC(=O)[C@@H]1C ZINC001591835417 1167391302 /nfs/dbraw/zinc/39/13/02/1167391302.db2.gz WWNKRFNADKNHGJ-QMMMGPOBSA-N -1 1 316.321 0.469 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](CCO)C1CC1 ZINC001591834944 1167391558 /nfs/dbraw/zinc/39/15/58/1167391558.db2.gz ZFCKHEVIOJTISI-JTQLQIEISA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C)S(=O)[C@@H](C)C2)n1 ZINC001591884232 1167408547 /nfs/dbraw/zinc/40/85/47/1167408547.db2.gz SVYQEHYLXBSUEH-IUCAKERBSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C)S(=O)[C@@H](C)C2)n1 ZINC001591884232 1167408548 /nfs/dbraw/zinc/40/85/48/1167408548.db2.gz SVYQEHYLXBSUEH-IUCAKERBSA-N -1 1 307.383 0.311 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C3OCCO3)C2)c1 ZINC001591885847 1167410500 /nfs/dbraw/zinc/41/05/00/1167410500.db2.gz YPAWTZYKGDUJBE-JTQLQIEISA-N -1 1 302.338 0.769 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C3OCCO3)C2)c1 ZINC001591885847 1167410502 /nfs/dbraw/zinc/41/05/02/1167410502.db2.gz YPAWTZYKGDUJBE-JTQLQIEISA-N -1 1 302.338 0.769 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(O)(C(F)F)CC2)n1 ZINC001591887017 1167411794 /nfs/dbraw/zinc/41/17/94/1167411794.db2.gz VRHJQGQPIMRWLE-UHFFFAOYSA-N -1 1 311.296 0.562 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(O)(C(F)F)CC2)n1 ZINC001591887017 1167411796 /nfs/dbraw/zinc/41/17/96/1167411796.db2.gz VRHJQGQPIMRWLE-UHFFFAOYSA-N -1 1 311.296 0.562 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(OCCCO)CC2)n1 ZINC001591886842 1167412011 /nfs/dbraw/zinc/41/20/11/1167412011.db2.gz JGFPOKMCTIMDDG-UHFFFAOYSA-N -1 1 319.369 0.333 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(OCCCO)CC2)n1 ZINC001591886842 1167412016 /nfs/dbraw/zinc/41/20/16/1167412016.db2.gz JGFPOKMCTIMDDG-UHFFFAOYSA-N -1 1 319.369 0.333 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)C2CC(C)C2)n1 ZINC001591899838 1167413309 /nfs/dbraw/zinc/41/33/09/1167413309.db2.gz AUGUMCJKEXHSCV-UHFFFAOYSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)C2CC(C)C2)n1 ZINC001591899838 1167413316 /nfs/dbraw/zinc/41/33/16/1167413316.db2.gz AUGUMCJKEXHSCV-UHFFFAOYSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(N2C[C@@H](CO)OC(C)(C)C2)cc(-c2nnn[n-]2)n1 ZINC001592001436 1167432702 /nfs/dbraw/zinc/43/27/02/1167432702.db2.gz VMFWWUHLMMMDNE-NSHDSACASA-N -1 1 304.354 0.546 20 0 DCADMM Cc1cc(N2C[C@@H](CO)OC(C)(C)C2)cc(-c2nn[n-]n2)n1 ZINC001592001436 1167432707 /nfs/dbraw/zinc/43/27/07/1167432707.db2.gz VMFWWUHLMMMDNE-NSHDSACASA-N -1 1 304.354 0.546 20 0 DCADMM Cc1cc(NC(=O)COc2ccc(F)nc2-c2nn[n-]n2)on1 ZINC001592018069 1167435876 /nfs/dbraw/zinc/43/58/76/1167435876.db2.gz SINXXWDPAJQEDE-UHFFFAOYSA-N -1 1 319.256 0.715 20 0 DCADMM Cc1cc(NCCCN2CCOC2=O)cc(-c2nnn[n-]2)n1 ZINC001592047887 1167445042 /nfs/dbraw/zinc/44/50/42/1167445042.db2.gz SCSWGZXAZCYFGY-UHFFFAOYSA-N -1 1 303.326 0.824 20 0 DCADMM Cc1cc(NCCCN2CCOC2=O)cc(-c2nn[n-]n2)n1 ZINC001592047887 1167445046 /nfs/dbraw/zinc/44/50/46/1167445046.db2.gz SCSWGZXAZCYFGY-UHFFFAOYSA-N -1 1 303.326 0.824 20 0 DCADMM Cc1cc(NCc2nc(-c3nnn[n-]3)cs2)n(CCO)n1 ZINC001592053754 1167445555 /nfs/dbraw/zinc/44/55/55/1167445555.db2.gz RXTMEJJEDVVZJM-UHFFFAOYSA-N -1 1 306.355 0.433 20 0 DCADMM Cc1cc(NCc2nc(-c3nn[n-]n3)cs2)n(CCO)n1 ZINC001592053754 1167445564 /nfs/dbraw/zinc/44/55/64/1167445564.db2.gz RXTMEJJEDVVZJM-UHFFFAOYSA-N -1 1 306.355 0.433 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](O)COCC1CC1 ZINC001592113034 1167457728 /nfs/dbraw/zinc/45/77/28/1167457728.db2.gz DADZUTOMEQEZHQ-NSHDSACASA-N -1 1 304.354 0.770 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001592109917 1167457940 /nfs/dbraw/zinc/45/79/40/1167457940.db2.gz HZQPVUKUMNNISJ-MNOVXSKESA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1-c1nn[nH]n1 ZINC001592154617 1167462847 /nfs/dbraw/zinc/46/28/47/1167462847.db2.gz FKBFKNJFGDDGFR-GFCCVEGCSA-N -1 1 314.349 0.812 20 0 DCADMM Cc1ccc(C)c(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001592139572 1167463317 /nfs/dbraw/zinc/46/33/17/1167463317.db2.gz SZUBGHJEENCEBR-UHFFFAOYSA-N -1 1 312.337 0.505 20 0 DCADMM Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1-c1nn[nH]n1 ZINC001592155984 1167463412 /nfs/dbraw/zinc/46/34/12/1167463412.db2.gz WDSDAWGAJIQHJP-GFCCVEGCSA-N -1 1 313.365 0.385 20 0 DCADMM Cc1ccc(N2CCO[C@H]([C@@H]3CCCO3)C2)nc1-c1nnn[n-]1 ZINC001592175096 1167468810 /nfs/dbraw/zinc/46/88/10/1167468810.db2.gz GRWQCKVQTNQHTQ-RYUDHWBXSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@H]([C@@H]3CCCO3)C2)nc1-c1nn[n-]n1 ZINC001592175096 1167468813 /nfs/dbraw/zinc/46/88/13/1167468813.db2.gz GRWQCKVQTNQHTQ-RYUDHWBXSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(NCC[C@H]2CC(=O)N(C)C2)nc1-c1nnn[n-]1 ZINC001592183152 1167470400 /nfs/dbraw/zinc/47/04/00/1167470400.db2.gz NZZSVHBFULXCLM-JTQLQIEISA-N -1 1 301.354 0.850 20 0 DCADMM Cc1ccc(NCC[C@H]2CC(=O)N(C)C2)nc1-c1nn[n-]n1 ZINC001592183152 1167470403 /nfs/dbraw/zinc/47/04/03/1167470403.db2.gz NZZSVHBFULXCLM-JTQLQIEISA-N -1 1 301.354 0.850 20 0 DCADMM Cc1ccc(N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(-c2nnn[n-]2)n1 ZINC001592177400 1167471416 /nfs/dbraw/zinc/47/14/16/1167471416.db2.gz SQSAZNDODYCKFF-AOOOYVTPSA-N -1 1 320.378 0.051 20 0 DCADMM Cc1ccc(N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(-c2nn[n-]n2)n1 ZINC001592177400 1167471420 /nfs/dbraw/zinc/47/14/20/1167471420.db2.gz SQSAZNDODYCKFF-AOOOYVTPSA-N -1 1 320.378 0.051 20 0 DCADMM Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001592190085 1167472732 /nfs/dbraw/zinc/47/27/32/1167472732.db2.gz CMLKLRNCVZPGJH-UHFFFAOYSA-N -1 1 318.318 0.733 20 0 DCADMM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001592190085 1167472737 /nfs/dbraw/zinc/47/27/37/1167472737.db2.gz CMLKLRNCVZPGJH-UHFFFAOYSA-N -1 1 318.318 0.733 20 0 DCADMM Cc1ccccc1C(=O)NCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592250888 1167477042 /nfs/dbraw/zinc/47/70/42/1167477042.db2.gz IHTBCPXZPSQPSG-UHFFFAOYSA-N -1 1 324.348 0.229 20 0 DCADMM Cc1ccn(CN(C)Cc2cccn2C)c(=O)c1-c1nn[n-]n1 ZINC001592266950 1167479842 /nfs/dbraw/zinc/47/98/42/1167479842.db2.gz KIJBMBGTJOXHTB-UHFFFAOYSA-N -1 1 313.365 0.765 20 0 DCADMM Cc1cccnc1CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592263091 1167480352 /nfs/dbraw/zinc/48/03/52/1167480352.db2.gz OMENARGNBHHQOM-UHFFFAOYSA-N -1 1 323.360 0.867 20 0 DCADMM Cc1cccnc1CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592263091 1167480360 /nfs/dbraw/zinc/48/03/60/1167480360.db2.gz OMENARGNBHHQOM-UHFFFAOYSA-N -1 1 323.360 0.867 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1Cl ZINC001592328640 1167488582 /nfs/dbraw/zinc/48/85/82/1167488582.db2.gz WOGFKDKNCJQONU-YFKPBYRVSA-N -1 1 322.720 0.343 20 0 DCADMM Cc1[nH]nc(NC(=O)C2(Br)CC2)c1-c1nn[n-]n1 ZINC001592327379 1167489809 /nfs/dbraw/zinc/48/98/09/1167489809.db2.gz IGKLVQIVNFSRLO-UHFFFAOYSA-N -1 1 312.131 0.764 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cc3ncccn3n2)c1-c1nn[n-]n1 ZINC001592332266 1167490740 /nfs/dbraw/zinc/49/07/40/1167490740.db2.gz CZFYDPFROQJDMB-UHFFFAOYSA-N -1 1 310.281 0.193 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]([C@H]3CCCO3)C2)n1 ZINC001592337353 1167493353 /nfs/dbraw/zinc/49/33/53/1167493353.db2.gz HOMNBRKCRFBFHQ-ZYHUDNBSSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]([C@H]3CCCO3)C2)n1 ZINC001592337353 1167493354 /nfs/dbraw/zinc/49/33/54/1167493354.db2.gz HOMNBRKCRFBFHQ-ZYHUDNBSSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2nnc3ccccn32)n1 ZINC001592339227 1167493696 /nfs/dbraw/zinc/49/36/96/1167493696.db2.gz ZVAFGWNUANUANW-UHFFFAOYSA-N -1 1 322.336 0.644 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2nnc3ccccn32)n1 ZINC001592339227 1167493698 /nfs/dbraw/zinc/49/36/98/1167493698.db2.gz ZVAFGWNUANUANW-UHFFFAOYSA-N -1 1 322.336 0.644 20 0 DCADMM Cc1nc(C2CC2)ccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592358391 1167504817 /nfs/dbraw/zinc/50/48/17/1167504817.db2.gz AXXIXJBHGLPXMD-UHFFFAOYSA-N -1 1 310.321 0.915 20 0 DCADMM Cc1nc(N[C@@H](C)C(=O)NC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592377085 1167508726 /nfs/dbraw/zinc/50/87/26/1167508726.db2.gz MQKOUHGPVDKCOF-ZETCQYMHSA-N -1 1 304.358 0.680 20 0 DCADMM Cc1nc(N[C@@H](C)C(=O)NC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592377085 1167508728 /nfs/dbraw/zinc/50/87/28/1167508728.db2.gz MQKOUHGPVDKCOF-ZETCQYMHSA-N -1 1 304.358 0.680 20 0 DCADMM Cc1nc(N[C@H](CO)Cc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001592396218 1167511974 /nfs/dbraw/zinc/51/19/74/1167511974.db2.gz ONOKGEICTXAVLB-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1nc(N[C@H](CO)Cc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001592396218 1167511981 /nfs/dbraw/zinc/51/19/81/1167511981.db2.gz ONOKGEICTXAVLB-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1nn(Cc2nnc(C(C)C)[nH]2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438298 1167522137 /nfs/dbraw/zinc/52/21/37/1167522137.db2.gz WKTUDRGODSUMPP-UHFFFAOYSA-N -1 1 315.341 0.330 20 0 DCADMM Cc1nn(C[C@@H]2CC[C@H](C3CC3)O2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436665 1167522608 /nfs/dbraw/zinc/52/26/08/1167522608.db2.gz YERZXULFDAYNER-NWDGAFQWSA-N -1 1 316.365 0.998 20 0 DCADMM Cc1nn(CCc2cncs2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437323 1167523587 /nfs/dbraw/zinc/52/35/87/1167523587.db2.gz SCPFZDJSRBFMDY-UHFFFAOYSA-N -1 1 303.351 0.739 20 0 DCADMM Cc1nnsc1Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001592454233 1167530410 /nfs/dbraw/zinc/53/04/10/1167530410.db2.gz MNNAWDUFBVOEGI-UHFFFAOYSA-N -1 1 315.362 0.725 20 0 DCADMM Cc1noc(CN(C)C(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001592461980 1167531133 /nfs/dbraw/zinc/53/11/33/1167531133.db2.gz PJMWKHZFCWGIGR-UHFFFAOYSA-N -1 1 305.323 0.892 20 0 DCADMM Cc1nsc(N2CCn3nc(N)cc3C2)c1-c1nn[n-]n1 ZINC001592476185 1167533915 /nfs/dbraw/zinc/53/39/15/1167533915.db2.gz IFPDICZECALYMX-UHFFFAOYSA-N -1 1 303.355 0.431 20 0 DCADMM Cc1nsc(NC(=O)[C@H]2C[C@]23CCOC3)c1-c1nnn[n-]1 ZINC001592479850 1167534841 /nfs/dbraw/zinc/53/48/41/1167534841.db2.gz QPXXPEXGCHKNJU-KRTXAFLBSA-N -1 1 306.351 0.997 20 0 DCADMM Cc1nsc(NC(=O)[C@H]2C[C@]23CCOC3)c1-c1nn[n-]n1 ZINC001592479850 1167534846 /nfs/dbraw/zinc/53/48/46/1167534846.db2.gz QPXXPEXGCHKNJU-KRTXAFLBSA-N -1 1 306.351 0.997 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)CN1CCOCC1 ZINC001592502790 1167542419 /nfs/dbraw/zinc/54/24/19/1167542419.db2.gz XJEAGEWXCLHHDY-SECBINFHSA-N -1 1 321.337 0.646 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)CN1CCOCC1 ZINC001592502790 1167542424 /nfs/dbraw/zinc/54/24/24/1167542424.db2.gz XJEAGEWXCLHHDY-SECBINFHSA-N -1 1 321.337 0.646 20 0 DCADMM Cc1onc(CC(=O)N(C)CC(=O)C(C)(C)C)c1-c1nnn[n-]1 ZINC001592515065 1167542996 /nfs/dbraw/zinc/54/29/96/1167542996.db2.gz DJEOHKLVYLPFRK-UHFFFAOYSA-N -1 1 320.353 0.779 20 0 DCADMM Cc1onc(CC(=O)N(C)CC(=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC001592515065 1167543001 /nfs/dbraw/zinc/54/30/01/1167543001.db2.gz DJEOHKLVYLPFRK-UHFFFAOYSA-N -1 1 320.353 0.779 20 0 DCADMM Cc1ocnc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592514810 1167544345 /nfs/dbraw/zinc/54/43/45/1167544345.db2.gz DRAMAKCKGRWDAM-UHFFFAOYSA-N -1 1 310.295 0.235 20 0 DCADMM Cn1c(=O)cc(Oc2cccc(F)c2-c2nnn[n-]2)[nH]c1=O ZINC001592547053 1167552842 /nfs/dbraw/zinc/55/28/42/1167552842.db2.gz CXPNWNBYNREQBA-UHFFFAOYSA-N -1 1 304.241 0.597 20 0 DCADMM Cn1c(=O)cc(Oc2cccc(F)c2-c2nn[n-]n2)[nH]c1=O ZINC001592547053 1167552846 /nfs/dbraw/zinc/55/28/46/1167552846.db2.gz CXPNWNBYNREQBA-UHFFFAOYSA-N -1 1 304.241 0.597 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2CC(F)(F)C2)n1 ZINC001592560047 1167560557 /nfs/dbraw/zinc/56/05/57/1167560557.db2.gz VKZYRBATEXFJEK-UHFFFAOYSA-N -1 1 312.284 0.767 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2CC(F)(F)C2)n1 ZINC001592560047 1167560561 /nfs/dbraw/zinc/56/05/61/1167560561.db2.gz VKZYRBATEXFJEK-UHFFFAOYSA-N -1 1 312.284 0.767 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnc(C3CC3)o2)n1 ZINC001592559737 1167561679 /nfs/dbraw/zinc/56/16/79/1167561679.db2.gz CBOPSTDDYQLOKO-UHFFFAOYSA-N -1 1 300.282 0.718 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnc(C3CC3)o2)n1 ZINC001592559737 1167561684 /nfs/dbraw/zinc/56/16/84/1167561684.db2.gz CBOPSTDDYQLOKO-UHFFFAOYSA-N -1 1 300.282 0.718 20 0 DCADMM Cn1cc(CCSCc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001592573441 1167565394 /nfs/dbraw/zinc/56/53/94/1167565394.db2.gz NEUMIMJEPCNFEN-UHFFFAOYSA-N -1 1 308.396 0.928 20 0 DCADMM Cn1cc(CCSCc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001592573441 1167565398 /nfs/dbraw/zinc/56/53/98/1167565398.db2.gz NEUMIMJEPCNFEN-UHFFFAOYSA-N -1 1 308.396 0.928 20 0 DCADMM Cn1cc(C[C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)cn1 ZINC001592571213 1167566935 /nfs/dbraw/zinc/56/69/35/1167566935.db2.gz SUVZKOBXABGKKV-JTQLQIEISA-N -1 1 311.353 0.459 20 0 DCADMM Cn1cc(C[C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)cn1 ZINC001592571213 1167566940 /nfs/dbraw/zinc/56/69/40/1167566940.db2.gz SUVZKOBXABGKKV-JTQLQIEISA-N -1 1 311.353 0.459 20 0 DCADMM Cn1ccc(CCC(=O)OCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001592579298 1167567527 /nfs/dbraw/zinc/56/75/27/1167567527.db2.gz NIJFEHZFTYXRPS-UHFFFAOYSA-N -1 1 302.294 0.869 20 0 DCADMM Cn1ccc(CCC(=O)OCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001592579298 1167567534 /nfs/dbraw/zinc/56/75/34/1167567534.db2.gz NIJFEHZFTYXRPS-UHFFFAOYSA-N -1 1 302.294 0.869 20 0 DCADMM Cn1cccc1C(=O)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592581895 1167570357 /nfs/dbraw/zinc/57/03/57/1167570357.db2.gz QRBYLZSLJXZZJY-UHFFFAOYSA-N -1 1 311.305 0.099 20 0 DCADMM Cn1cccc1C(=O)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592581895 1167570359 /nfs/dbraw/zinc/57/03/59/1167570359.db2.gz QRBYLZSLJXZZJY-UHFFFAOYSA-N -1 1 311.305 0.099 20 0 DCADMM Cn1nc2ccccc2c1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592596440 1167576171 /nfs/dbraw/zinc/57/61/71/1167576171.db2.gz RHPGSPOAMUJBQA-UHFFFAOYSA-N -1 1 309.293 0.729 20 0 DCADMM Cn1nccc1CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001592607829 1167582059 /nfs/dbraw/zinc/58/20/59/1167582059.db2.gz RNERJHQMASCFDG-UHFFFAOYSA-N -1 1 311.349 0.493 20 0 DCADMM FC1(F)Oc2ccc(Cn3cc(-c4nn[n-]n4)nn3)cc2O1 ZINC001592630290 1167587377 /nfs/dbraw/zinc/58/73/77/1167587377.db2.gz GPHQPWBTPPREDS-UHFFFAOYSA-N -1 1 307.220 0.828 20 0 DCADMM NC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592720475 1167611783 /nfs/dbraw/zinc/61/17/83/1167611783.db2.gz HLLKODWAPWZKEB-SFYZADRCSA-N -1 1 306.351 0.056 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592726193 1167616732 /nfs/dbraw/zinc/61/67/32/1167616732.db2.gz XLMOJRBQTJGNIA-VIFPVBQESA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)CC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592726193 1167616736 /nfs/dbraw/zinc/61/67/36/1167616736.db2.gz XLMOJRBQTJGNIA-VIFPVBQESA-N -1 1 302.342 0.139 20 0 DCADMM NC(=O)Cc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001592730693 1167617690 /nfs/dbraw/zinc/61/76/90/1167617690.db2.gz SOSDIHGISVZSDI-UHFFFAOYSA-N -1 1 310.321 0.297 20 0 DCADMM NC(=O)Cc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001592730693 1167617700 /nfs/dbraw/zinc/61/77/00/1167617700.db2.gz SOSDIHGISVZSDI-UHFFFAOYSA-N -1 1 310.321 0.297 20 0 DCADMM NC(=O)C[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001592730122 1167619296 /nfs/dbraw/zinc/61/92/96/1167619296.db2.gz KTVUPTRNIRXCNH-JTQLQIEISA-N -1 1 310.321 0.685 20 0 DCADMM NC(=O)C[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001592730122 1167619299 /nfs/dbraw/zinc/61/92/99/1167619299.db2.gz KTVUPTRNIRXCNH-JTQLQIEISA-N -1 1 310.321 0.685 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001592735779 1167623795 /nfs/dbraw/zinc/62/37/95/1167623795.db2.gz JQGUSZXCQRFSTM-UHFFFAOYSA-N -1 1 309.289 0.613 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592735779 1167623799 /nfs/dbraw/zinc/62/37/99/1167623799.db2.gz JQGUSZXCQRFSTM-UHFFFAOYSA-N -1 1 309.289 0.613 20 0 DCADMM O=C(/C=C/[C@H]1CCOC1)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592794119 1167641679 /nfs/dbraw/zinc/64/16/79/1167641679.db2.gz HXZMHNSVUACDMC-CMLYIYFCSA-N -1 1 307.335 0.959 20 0 DCADMM O=C(/C=C/[C@H]1CCOC1)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592794119 1167641685 /nfs/dbraw/zinc/64/16/85/1167641685.db2.gz HXZMHNSVUACDMC-CMLYIYFCSA-N -1 1 307.335 0.959 20 0 DCADMM O=C(C=C1CCC1)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592787422 1167643547 /nfs/dbraw/zinc/64/35/47/1167643547.db2.gz MDYLEILHNIQCMO-UHFFFAOYSA-N -1 1 314.353 0.107 20 0 DCADMM O=C(CC1(O)CCOCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592806416 1167644676 /nfs/dbraw/zinc/64/46/76/1167644676.db2.gz LGCTWIXGAVGIDB-UHFFFAOYSA-N -1 1 319.321 0.442 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H](CCO)C1CC1 ZINC001592914923 1167664995 /nfs/dbraw/zinc/66/49/95/1167664995.db2.gz IMFDYYBQCYJHJS-LLVKDONJSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H](CCO)C1CC1 ZINC001592914923 1167664999 /nfs/dbraw/zinc/66/49/99/1167664999.db2.gz IMFDYYBQCYJHJS-LLVKDONJSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(C1CC1)C1CCCC1 ZINC001592940478 1167669144 /nfs/dbraw/zinc/66/91/44/1167669144.db2.gz JERRMVBDRIOTNL-UHFFFAOYSA-N -1 1 302.342 0.392 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ncsc1C1CC1 ZINC001592941892 1167670319 /nfs/dbraw/zinc/67/03/19/1167670319.db2.gz YAPDTOLSKGZBQE-UHFFFAOYSA-N -1 1 317.338 0.431 20 0 DCADMM O=C(N[C@@H]1CC[S@@](=O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592996830 1167681990 /nfs/dbraw/zinc/68/19/90/1167681990.db2.gz SEMHQSGYDCCATP-WODJRTHDSA-N -1 1 309.326 0.257 20 0 DCADMM O=C(N[C@@H]1CC[S@@](=O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592996830 1167681992 /nfs/dbraw/zinc/68/19/92/1167681992.db2.gz SEMHQSGYDCCATP-WODJRTHDSA-N -1 1 309.326 0.257 20 0 DCADMM O=C(NC[C@@H](CO)[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593006787 1167686398 /nfs/dbraw/zinc/68/63/98/1167686398.db2.gz SOGUJEOQGLCUAM-IUCAKERBSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@@H](CO)[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593006787 1167686403 /nfs/dbraw/zinc/68/64/03/1167686403.db2.gz SOGUJEOQGLCUAM-IUCAKERBSA-N -1 1 323.378 0.303 20 0 DCADMM O=C(NC[C@@H](O)COCC1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593016965 1167689362 /nfs/dbraw/zinc/68/93/62/1167689362.db2.gz XLAVGFIQCJGXJM-SNVBAGLBSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(NCC1CC=CC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593029985 1167690133 /nfs/dbraw/zinc/69/01/33/1167690133.db2.gz KEKIYQCBGJLXQJ-UHFFFAOYSA-N -1 1 313.321 0.283 20 0 DCADMM O=C(NCC1CC=CC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593029985 1167690141 /nfs/dbraw/zinc/69/01/41/1167690141.db2.gz KEKIYQCBGJLXQJ-UHFFFAOYSA-N -1 1 313.321 0.283 20 0 DCADMM O=C(NC[C@@H]1CC[C@H](C2CC2)O1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593030026 1167690203 /nfs/dbraw/zinc/69/02/03/1167690203.db2.gz KOZAJEBTBIREIZ-WCQYABFASA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@@H]1CC[C@H](C2CC2)O1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593030026 1167690209 /nfs/dbraw/zinc/69/02/09/1167690209.db2.gz KOZAJEBTBIREIZ-WCQYABFASA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@@H]1CC2(CCC2)CO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593029264 1167691264 /nfs/dbraw/zinc/69/12/64/1167691264.db2.gz VFQBRODHYBNNBC-NSHDSACASA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NC[C@@H]1CC2(CCC2)CO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593029264 1167691270 /nfs/dbraw/zinc/69/12/70/1167691270.db2.gz VFQBRODHYBNNBC-NSHDSACASA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NCC[C@]1(O)CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593060041 1167698424 /nfs/dbraw/zinc/69/84/24/1167698424.db2.gz YIOYHAPVIFLYKZ-LBPRGKRZSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(NCC[C@]1(O)CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593060041 1167698430 /nfs/dbraw/zinc/69/84/30/1167698430.db2.gz YIOYHAPVIFLYKZ-LBPRGKRZSA-N -1 1 309.351 0.200 20 0 DCADMM O=C(NCCO[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593096660 1167706659 /nfs/dbraw/zinc/70/66/59/1167706659.db2.gz PWWRYDXULVHCNQ-GFCCVEGCSA-N -1 1 318.337 0.535 20 0 DCADMM O=C(NCCO[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593096660 1167706666 /nfs/dbraw/zinc/70/66/66/1167706666.db2.gz PWWRYDXULVHCNQ-GFCCVEGCSA-N -1 1 318.337 0.535 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001593091545 1167707138 /nfs/dbraw/zinc/70/71/38/1167707138.db2.gz GRFYKLWJRHTDOX-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001593091545 1167707144 /nfs/dbraw/zinc/70/71/44/1167707144.db2.gz GRFYKLWJRHTDOX-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCC[C@H]1F ZINC001593111604 1167710995 /nfs/dbraw/zinc/71/09/95/1167710995.db2.gz PJBNPDVHAPAAOR-RKDXNWHRSA-N -1 1 323.336 0.038 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)C(=O)NC1CC1 ZINC001593122100 1167716163 /nfs/dbraw/zinc/71/61/63/1167716163.db2.gz XQLKKAVRODBSCB-UHFFFAOYSA-N -1 1 322.275 0.040 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)C(=O)NC1CC1 ZINC001593122100 1167716166 /nfs/dbraw/zinc/71/61/66/1167716166.db2.gz XQLKKAVRODBSCB-UHFFFAOYSA-N -1 1 322.275 0.040 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccc2nccn21 ZINC001593146540 1167722682 /nfs/dbraw/zinc/72/26/82/1167722682.db2.gz RYZAMUNPOHMFPQ-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(CO)cc1 ZINC001593146027 1167724475 /nfs/dbraw/zinc/72/44/75/1167724475.db2.gz FYHZMPCTICGLBG-UHFFFAOYSA-N -1 1 310.317 0.684 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(CO)cc1 ZINC001593146027 1167724483 /nfs/dbraw/zinc/72/44/83/1167724483.db2.gz FYHZMPCTICGLBG-UHFFFAOYSA-N -1 1 310.317 0.684 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@H]1CCSC1 ZINC001593151239 1167727743 /nfs/dbraw/zinc/72/77/43/1167727743.db2.gz SEKKXNVYSMJWRC-LURJTMIESA-N -1 1 311.396 0.628 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@H]1CCSC1 ZINC001593151239 1167727749 /nfs/dbraw/zinc/72/77/49/1167727749.db2.gz SEKKXNVYSMJWRC-LURJTMIESA-N -1 1 311.396 0.628 20 0 DCADMM O=C(Nc1n[nH]c2c1COCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593195452 1167734641 /nfs/dbraw/zinc/73/46/41/1167734641.db2.gz DMTRFVQOWCKGOQ-UHFFFAOYSA-N -1 1 312.293 0.310 20 0 DCADMM O=C(Nc1n[nH]c2c1COCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593195452 1167734650 /nfs/dbraw/zinc/73/46/50/1167734650.db2.gz DMTRFVQOWCKGOQ-UHFFFAOYSA-N -1 1 312.293 0.310 20 0 DCADMM O=C(Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1)c1cc[nH]n1 ZINC001593253128 1167744167 /nfs/dbraw/zinc/74/41/67/1167744167.db2.gz ZPLMGJVNGPQULV-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1ncc(CCO)s1)c1ccc(-c2nn[n-]n2)o1 ZINC001593268191 1167749981 /nfs/dbraw/zinc/74/99/81/1167749981.db2.gz NHIRPMNGLDLVEZ-UHFFFAOYSA-N -1 1 306.307 0.703 20 0 DCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCOC1 ZINC001593263761 1167750378 /nfs/dbraw/zinc/75/03/78/1167750378.db2.gz XIVMIOFYUZXOMW-BYPYZUCNSA-N -1 1 300.731 0.952 20 0 DCADMM O=C(OC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593286542 1167761447 /nfs/dbraw/zinc/76/14/47/1167761447.db2.gz JJQBXYKFXYKTLC-ZETCQYMHSA-N -1 1 312.307 0.051 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCOC[C@@H]1C1CCC1 ZINC001593358507 1167784500 /nfs/dbraw/zinc/78/45/00/1167784500.db2.gz JFMJRNBIKOLCGM-CYBMUJFWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCOC[C@@H]1C1CCC1 ZINC001593358507 1167784503 /nfs/dbraw/zinc/78/45/03/1167784503.db2.gz JFMJRNBIKOLCGM-CYBMUJFWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCO[C@@H]2CCC[C@@H]21 ZINC001593348770 1167785002 /nfs/dbraw/zinc/78/50/02/1167785002.db2.gz PENBLGWKTOUARV-NWDGAFQWSA-N -1 1 300.322 0.655 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCO[C@@H]2CCC[C@@H]21 ZINC001593348770 1167785010 /nfs/dbraw/zinc/78/50/10/1167785010.db2.gz PENBLGWKTOUARV-NWDGAFQWSA-N -1 1 300.322 0.655 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C[C@@H]2COC[C@H](C1)O2 ZINC001593370745 1167789656 /nfs/dbraw/zinc/78/96/56/1167789656.db2.gz HFWBYJQBPHJXOJ-DTORHVGOSA-N -1 1 307.335 0.168 20 0 DCADMM O=C1CCCN1C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001593392982 1167805080 /nfs/dbraw/zinc/80/50/80/1167805080.db2.gz RXQGJHKOGGKIIQ-UHFFFAOYSA-N -1 1 314.353 0.248 20 0 DCADMM O=C1CCCN1C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001593392982 1167805084 /nfs/dbraw/zinc/80/50/84/1167805084.db2.gz RXQGJHKOGGKIIQ-UHFFFAOYSA-N -1 1 314.353 0.248 20 0 DCADMM O=CN1CCC(OC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001593413932 1167828807 /nfs/dbraw/zinc/82/88/07/1167828807.db2.gz BUSBNPPKHDBDCA-UHFFFAOYSA-N -1 1 302.294 0.039 20 0 DCADMM O=CN1CCC(OC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001593413932 1167828822 /nfs/dbraw/zinc/82/88/22/1167828822.db2.gz BUSBNPPKHDBDCA-UHFFFAOYSA-N -1 1 302.294 0.039 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001593422486 1167831877 /nfs/dbraw/zinc/83/18/77/1167831877.db2.gz JWTDJAOYHUFDIO-YUMQZZPRSA-N -1 1 305.319 0.173 20 0 DCADMM O=S(=O)(NC1(CO)CCC1)c1ccsc1-c1nn[n-]n1 ZINC001593429828 1167838544 /nfs/dbraw/zinc/83/85/44/1167838544.db2.gz QCHFVXDTLPFLTQ-UHFFFAOYSA-N -1 1 315.380 0.122 20 0 DCADMM O=S(=O)(NCc1ccncc1)c1cccnc1-c1nn[n-]n1 ZINC001593442922 1167841381 /nfs/dbraw/zinc/84/13/81/1167841381.db2.gz NZJXXWKOQNCUDD-UHFFFAOYSA-N -1 1 317.334 0.135 20 0 DCADMM O=S(=O)(NC/C=C/Cl)c1cccnc1-c1nn[n-]n1 ZINC001593439113 1167841891 /nfs/dbraw/zinc/84/18/91/1167841891.db2.gz RLJDQHAOTJXXIV-DUXPYHPUSA-N -1 1 300.731 0.293 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@@H]1C[C@H]1c1ccccc1 ZINC001593489438 1167870315 /nfs/dbraw/zinc/87/03/15/1167870315.db2.gz MYCRYBAVEJBUNO-QWRGUYRKSA-N -1 1 310.317 0.933 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001593489190 1167872798 /nfs/dbraw/zinc/87/27/98/1167872798.db2.gz CZEWLMIYNPDDHE-WEDXCCLWSA-N -1 1 304.310 0.087 20 0 DCADMM O=c1c2c(ncn1Cc1nc(-c3nnn[n-]3)cs1)CCC2 ZINC001593494436 1167875699 /nfs/dbraw/zinc/87/56/99/1167875699.db2.gz XQYSTXBMHFQGPQ-UHFFFAOYSA-N -1 1 301.335 0.417 20 0 DCADMM O=c1c2c(ncn1Cc1nc(-c3nn[n-]n3)cs1)CCC2 ZINC001593494436 1167875706 /nfs/dbraw/zinc/87/57/06/1167875706.db2.gz XQYSTXBMHFQGPQ-UHFFFAOYSA-N -1 1 301.335 0.417 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1C[C@H](O)CCc1ccccc1 ZINC001593494080 1167877007 /nfs/dbraw/zinc/87/70/07/1167877007.db2.gz OAJWQRBILLRTNV-GFCCVEGCSA-N -1 1 312.333 0.417 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1nncn1-c1ccccc1 ZINC001593495087 1167878438 /nfs/dbraw/zinc/87/84/38/1167878438.db2.gz UHJSUTGPWACSBH-UHFFFAOYSA-N -1 1 321.304 0.052 20 0 DCADMM O=c1cc(C=Cc2cc(-c3nn[nH]n3)cs2)nc2nc[n-]n21 ZINC001593495566 1167878532 /nfs/dbraw/zinc/87/85/32/1167878532.db2.gz JATDQLXILAOTIJ-OWOJBTEDSA-N -1 1 312.318 0.830 20 0 DCADMM O[C@@H](COc1ccc(F)nc1-c1nn[n-]n1)C1(O)CCCC1 ZINC001593507710 1167886351 /nfs/dbraw/zinc/88/63/51/1167886351.db2.gz JRJPQFODHSQOSM-VIFPVBQESA-N -1 1 309.301 0.446 20 0 DCADMM O[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1F ZINC001593519445 1167894400 /nfs/dbraw/zinc/89/44/00/1167894400.db2.gz NVEZVOZURZBLKZ-CRCLSJGQSA-N -1 1 304.738 0.886 20 0 DCADMM O[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1F ZINC001593519445 1167894405 /nfs/dbraw/zinc/89/44/05/1167894405.db2.gz NVEZVOZURZBLKZ-CRCLSJGQSA-N -1 1 304.738 0.886 20 0 DCADMM O[C@@H]1c2ccccc2OC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001593522773 1167897036 /nfs/dbraw/zinc/89/70/36/1167897036.db2.gz SDBRMZIYGLMGIQ-GXFFZTMASA-N -1 1 311.305 0.563 20 0 DCADMM O[C@@H]1c2ccccc2OC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001593522773 1167897043 /nfs/dbraw/zinc/89/70/43/1167897043.db2.gz SDBRMZIYGLMGIQ-GXFFZTMASA-N -1 1 311.305 0.563 20 0 DCADMM O[C@@H]1c2ccccc2OC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001593521578 1167899430 /nfs/dbraw/zinc/89/94/30/1167899430.db2.gz MSLBKVGGWSFVEZ-GXFFZTMASA-N -1 1 311.305 0.563 20 0 DCADMM O[C@@H]1c2ccccc2OC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001593521578 1167899435 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1167955506 /nfs/dbraw/zinc/95/55/06/1167955506.db2.gz KGKBYAHDRWTFSZ-MNOVXSKESA-N -1 1 301.354 0.910 20 0 DCADMM c1nn(C[C@H]2CCCO2)cc1Nc1ncncc1-c1nn[n-]n1 ZINC001593595138 1167957303 /nfs/dbraw/zinc/95/73/03/1167957303.db2.gz NYRIALDDNYUPJH-SNVBAGLBSA-N -1 1 313.325 0.776 20 0 DCADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCNC(=O)c1ccn[nH]1 ZINC001597388390 1168007305 /nfs/dbraw/zinc/00/73/05/1168007305.db2.gz HVNTYAYKMZYRQU-UHFFFAOYSA-N -1 1 322.752 0.857 20 0 DCADMM COC(=O)[C@H]1CCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001598799691 1168042318 /nfs/dbraw/zinc/04/23/18/1168042318.db2.gz QMNSUSAZLOGXRU-JQWIXIFHSA-N -1 1 312.366 0.193 20 0 DCADMM COC(=O)CC[C@@H](C(=O)[O-])N1CCN(c2nccnc2C)CC1 ZINC001598849108 1168047421 /nfs/dbraw/zinc/04/74/21/1168047421.db2.gz UEHQIHHUHRIASO-LBPRGKRZSA-N -1 1 322.365 0.313 20 0 DCADMM Cc1c(C(=O)[O-])cc(CNC(=O)[C@H]2CCCc3n[nH]nc32)n1C ZINC001599990727 1168081578 /nfs/dbraw/zinc/08/15/78/1168081578.db2.gz YUESNUWOJBTBFI-JTQLQIEISA-N -1 1 317.349 0.886 20 0 DCADMM 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CO[C@@H](CNCc1nc(-c2nnn[n-]2)cs1)C(F)(F)F ZINC001605008575 1169775526 /nfs/dbraw/zinc/77/55/26/1169775526.db2.gz JUPQDGWRCFSLBS-LURJTMIESA-N -1 1 308.289 0.990 20 0 DCADMM CO[C@@H](CNCc1nc(-c2nn[n-]n2)cs1)C(F)(F)F ZINC001605008575 1169775529 /nfs/dbraw/zinc/77/55/29/1169775529.db2.gz JUPQDGWRCFSLBS-LURJTMIESA-N -1 1 308.289 0.990 20 0 DCADMM CO[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC001605007618 1169776840 /nfs/dbraw/zinc/77/68/40/1169776840.db2.gz BFIMKWLVPDERML-BDAKNGLRSA-N -1 1 323.378 0.710 20 0 DCADMM CO[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCOC1 ZINC001605007618 1169776843 /nfs/dbraw/zinc/77/68/43/1169776843.db2.gz BFIMKWLVPDERML-BDAKNGLRSA-N -1 1 323.378 0.710 20 0 DCADMM CO[C@H](C)[C@H](C)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001605006544 1169777446 /nfs/dbraw/zinc/77/74/46/1169777446.db2.gz ZQIGIXQHFBEJLS-JGVFFNPUSA-N -1 1 306.326 0.429 20 0 DCADMM CO[C@H]1C[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C12CCC2 ZINC001605024807 1169785221 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COC(=O)[C@@H]1CNCCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001606431240 1170198754 /nfs/dbraw/zinc/19/87/54/1170198754.db2.gz IVIFHOHLIHBMLL-QZPNVGJNSA-N -1 1 322.317 0.355 20 0 DCADMM COC(=O)C[C@@](C)(NCCC(=O)NCC(=O)[O-])c1ccncc1 ZINC001606439913 1170202601 /nfs/dbraw/zinc/20/26/01/1170202601.db2.gz IPRNUDVNHAYAFT-OAHLLOKOSA-N -1 1 323.349 0.040 20 0 DCADMM COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001606506416 1170222617 /nfs/dbraw/zinc/22/26/17/1170222617.db2.gz JOMBBISPSNEJMY-TUAOUCFPSA-N -1 1 323.349 0.501 20 0 DCADMM O=C(CC1OCCO1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606507647 1170223031 /nfs/dbraw/zinc/22/30/31/1170223031.db2.gz JXVOKMJMNHUKQS-UHFFFAOYSA-N -1 1 305.298 0.169 20 0 DCADMM COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001606515556 1170225339 /nfs/dbraw/zinc/22/53/39/1170225339.db2.gz VDUBZMZSLBVCFY-TUAOUCFPSA-N -1 1 323.349 0.501 20 0 DCADMM COC(=O)[C@@]12CN(Cc3cn(CC(=O)[O-])nn3)C[C@@H]1CCCC2 ZINC001606520660 1170227524 /nfs/dbraw/zinc/22/75/24/1170227524.db2.gz GMDUZVWQGPBFDS-NHYWBVRUSA-N -1 1 322.365 0.528 20 0 DCADMM O=C(COc1cccnc1-c1nnn[n-]1)NCc1ccco1 ZINC001606579691 1170237376 /nfs/dbraw/zinc/23/73/76/1170237376.db2.gz SAWXNRKFWRXMCY-UHFFFAOYSA-N -1 1 300.278 0.550 20 0 DCADMM O=C(COc1cccnc1-c1nn[n-]n1)NCc1ccco1 ZINC001606579691 1170237377 /nfs/dbraw/zinc/23/73/77/1170237377.db2.gz SAWXNRKFWRXMCY-UHFFFAOYSA-N -1 1 300.278 0.550 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NOC1CCOCC1 ZINC001606596606 1170240024 /nfs/dbraw/zinc/24/00/24/1170240024.db2.gz QPKSAXMAKKWQKO-UHFFFAOYSA-N -1 1 304.310 0.031 20 0 DCADMM O=C(Cc1ccco1)NCCNc1nccnc1-c1nnn[n-]1 ZINC001606604473 1170242644 /nfs/dbraw/zinc/24/26/44/1170242644.db2.gz MGFOYBYWDXINFG-UHFFFAOYSA-N -1 1 314.309 0.021 20 0 DCADMM O=C(Cc1ccco1)NCCNc1nccnc1-c1nn[n-]n1 ZINC001606604473 1170242651 /nfs/dbraw/zinc/24/26/51/1170242651.db2.gz MGFOYBYWDXINFG-UHFFFAOYSA-N -1 1 314.309 0.021 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1c(F)cccc1F ZINC001606623669 1170246569 /nfs/dbraw/zinc/24/65/69/1170246569.db2.gz XVXNNDZTEAXMJI-UHFFFAOYSA-N -1 1 306.236 0.375 20 0 DCADMM O=C(N[C@H]1CCC2(C1)OCCO2)c1csc(-c2nn[n-]n2)c1 ZINC001606657059 1170253367 /nfs/dbraw/zinc/25/33/67/1170253367.db2.gz AVTVAGKKKVHRJN-VIFPVBQESA-N -1 1 321.362 0.954 20 0 DCADMM O=C(NC[C@@H](O)c1ccco1)c1ccsc1-c1nnn[n-]1 ZINC001606704185 1170268296 /nfs/dbraw/zinc/26/82/96/1170268296.db2.gz DJGVQBJFQNBBFE-MRVPVSSYSA-N -1 1 305.319 0.985 20 0 DCADMM O=C(NC[C@@H](O)c1ccco1)c1ccsc1-c1nn[n-]n1 ZINC001606704185 1170268300 /nfs/dbraw/zinc/26/83/00/1170268300.db2.gz DJGVQBJFQNBBFE-MRVPVSSYSA-N -1 1 305.319 0.985 20 0 DCADMM CO[C@]1(C(=O)[O-])CCN([C@H](C)C(=O)NCc2cccs2)C1 ZINC001606703849 1170268600 /nfs/dbraw/zinc/26/86/00/1170268600.db2.gz SJVWNRKCKNCPTO-QMTHXVAHSA-N -1 1 312.391 0.928 20 0 DCADMM CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC001606707005 1170269106 /nfs/dbraw/zinc/26/91/06/1170269106.db2.gz UJAREAAQLUMTFW-HNNXBMFYSA-N -1 1 302.334 0.943 20 0 DCADMM O=C(NCCO[C@@H]1CCOC1)c1ccsc1-c1nnn[n-]1 ZINC001606786609 1170289447 /nfs/dbraw/zinc/28/94/47/1170289447.db2.gz CZPBJFXGJWDVBZ-MRVPVSSYSA-N -1 1 309.351 0.464 20 0 DCADMM O=C(NCCO[C@@H]1CCOC1)c1ccsc1-c1nn[n-]n1 ZINC001606786609 1170289454 /nfs/dbraw/zinc/28/94/54/1170289454.db2.gz CZPBJFXGJWDVBZ-MRVPVSSYSA-N -1 1 309.351 0.464 20 0 DCADMM COCC[C@H](NC(=O)c1cn[nH]c1-c1ccccn1)C(=O)[O-] ZINC001606857065 1170315878 /nfs/dbraw/zinc/31/58/78/1170315878.db2.gz QWYSAZKTVQLNNU-NSHDSACASA-N -1 1 304.306 0.691 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC2(C1)CCOC2 ZINC001606941498 1170335328 /nfs/dbraw/zinc/33/53/28/1170335328.db2.gz YJXSSFWXOAWHNV-UHFFFAOYSA-N -1 1 301.310 0.516 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC2(C1)CCOC2 ZINC001606941498 1170335335 /nfs/dbraw/zinc/33/53/35/1170335335.db2.gz YJXSSFWXOAWHNV-UHFFFAOYSA-N -1 1 301.310 0.516 20 0 DCADMM O=C(Nc1cnc2c(c1)CNC2=O)c1coc(-c2nnn[n-]2)c1 ZINC001606946074 1170335686 /nfs/dbraw/zinc/33/56/86/1170335686.db2.gz LBIXMJUDIZOQLB-UHFFFAOYSA-N -1 1 311.261 0.350 20 0 DCADMM O=C(Nc1cnc2c(c1)CNC2=O)c1coc(-c2nn[n-]n2)c1 ZINC001606946074 1170335691 /nfs/dbraw/zinc/33/56/91/1170335691.db2.gz LBIXMJUDIZOQLB-UHFFFAOYSA-N -1 1 311.261 0.350 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@@](O)(C2CC2)C1 ZINC001606941484 1170336497 /nfs/dbraw/zinc/33/64/97/1170336497.db2.gz XQJGGRLFHCQPHY-AWEZNQCLSA-N -1 1 315.337 0.640 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@@](O)(C2CC2)C1 ZINC001606941484 1170336502 /nfs/dbraw/zinc/33/65/02/1170336502.db2.gz XQJGGRLFHCQPHY-AWEZNQCLSA-N -1 1 315.337 0.640 20 0 DCADMM O=C(Nc1nnc2n1CCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001606954344 1170337443 /nfs/dbraw/zinc/33/74/43/1170337443.db2.gz PHYGWFFODHKKPN-UHFFFAOYSA-N -1 1 300.282 0.640 20 0 DCADMM O=C(O[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606962788 1170340963 /nfs/dbraw/zinc/34/09/63/1170340963.db2.gz JZBOKHLLDFPLML-SECBINFHSA-N -1 1 314.305 0.182 20 0 DCADMM O=C(O[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606962788 1170340968 /nfs/dbraw/zinc/34/09/68/1170340968.db2.gz JZBOKHLLDFPLML-SECBINFHSA-N -1 1 314.305 0.182 20 0 DCADMM COCc1nc(NC(=O)C[C@H]2COCCN2)sc1C(=O)[O-] ZINC001606976792 1170343426 /nfs/dbraw/zinc/34/34/26/1170343426.db2.gz WMKDKOXTBHZZGL-ZETCQYMHSA-N -1 1 315.351 0.305 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(CCO)Cc1cccnc1 ZINC001607017320 1170356731 /nfs/dbraw/zinc/35/67/31/1170356731.db2.gz PIDQFVPOWXRBDD-UHFFFAOYSA-N -1 1 314.305 0.489 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(CCO)Cc1cccnc1 ZINC001607017320 1170356734 /nfs/dbraw/zinc/35/67/34/1170356734.db2.gz PIDQFVPOWXRBDD-UHFFFAOYSA-N -1 1 314.305 0.489 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2cc[nH]c(=O)c2C1 ZINC001607017354 1170357201 /nfs/dbraw/zinc/35/72/01/1170357201.db2.gz QTCAWKKAKNJNLA-UHFFFAOYSA-N -1 1 323.316 0.561 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2cc[nH]c(=O)c2C1 ZINC001607017354 1170357209 /nfs/dbraw/zinc/35/72/09/1170357209.db2.gz QTCAWKKAKNJNLA-UHFFFAOYSA-N -1 1 323.316 0.561 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCN2C(=O)OCC[C@H]2C1 ZINC001607033056 1170359787 /nfs/dbraw/zinc/35/97/87/1170359787.db2.gz OLNTXPMQWAMXKJ-VIFPVBQESA-N -1 1 318.293 0.126 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCN2C(=O)OCC[C@H]2C1 ZINC001607033056 1170359797 /nfs/dbraw/zinc/35/97/97/1170359797.db2.gz OLNTXPMQWAMXKJ-VIFPVBQESA-N -1 1 318.293 0.126 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCOC[C@]12CCOC2 ZINC001607033580 1170361331 /nfs/dbraw/zinc/36/13/31/1170361331.db2.gz YNWHASLDEYANKA-CYBMUJFWSA-N -1 1 305.294 0.091 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCOC[C@]12CCOC2 ZINC001607033580 1170361334 /nfs/dbraw/zinc/36/13/34/1170361334.db2.gz YNWHASLDEYANKA-CYBMUJFWSA-N -1 1 305.294 0.091 20 0 DCADMM O=C1C[C@@H](CCNc2snc(Cl)c2-c2nnn[n-]2)CN1 ZINC001607038934 1170362359 /nfs/dbraw/zinc/36/23/59/1170362359.db2.gz AZUIMNWJPGABLY-RXMQYKEDSA-N -1 1 313.774 0.915 20 0 DCADMM O=C1C[C@@H](CCNc2snc(Cl)c2-c2nn[n-]n2)CN1 ZINC001607038934 1170362366 /nfs/dbraw/zinc/36/23/66/1170362366.db2.gz AZUIMNWJPGABLY-RXMQYKEDSA-N -1 1 313.774 0.915 20 0 DCADMM O=C1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CN1C1CC1 ZINC001607047349 1170368808 /nfs/dbraw/zinc/36/88/08/1170368808.db2.gz KOMDHPBJTHJJHD-UHFFFAOYSA-N -1 1 305.729 0.684 20 0 DCADMM O=C1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CN1C1CC1 ZINC001607047349 1170368811 /nfs/dbraw/zinc/36/88/11/1170368811.db2.gz KOMDHPBJTHJJHD-UHFFFAOYSA-N -1 1 305.729 0.684 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC001607052572 1170372409 /nfs/dbraw/zinc/37/24/09/1170372409.db2.gz SWYCILOMEMTAGI-GZMMTYOYSA-N -1 1 316.321 0.200 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC001607052572 1170372419 /nfs/dbraw/zinc/37/24/19/1170372419.db2.gz SWYCILOMEMTAGI-GZMMTYOYSA-N -1 1 316.321 0.200 20 0 DCADMM O=S(=O)(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccnc1-c1nn[n-]n1 ZINC001607060230 1170375108 /nfs/dbraw/zinc/37/51/08/1170375108.db2.gz QOQBTTBEOMKXOO-OPRDCNLKSA-N -1 1 320.378 0.729 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@@H]1CC2(CO1)CCOCC2 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CON(C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001609331706 1170942186 /nfs/dbraw/zinc/94/21/86/1170942186.db2.gz APYKSLLSWMIWRZ-QMMMGPOBSA-N -1 1 306.330 0.352 20 0 DCADMM CSc1c(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cnn1C ZINC001609372551 1170951316 /nfs/dbraw/zinc/95/13/16/1170951316.db2.gz QNJWUPKDAWIFOP-UHFFFAOYSA-N -1 1 319.354 0.606 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](CC(N)=O)C2)n1 ZINC001609391649 1170961242 /nfs/dbraw/zinc/96/12/42/1170961242.db2.gz QHGQAJUNEBNJKH-VIFPVBQESA-N -1 1 302.342 0.057 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](CC(N)=O)C2)n1 ZINC001609391649 1170961248 /nfs/dbraw/zinc/96/12/48/1170961248.db2.gz QHGQAJUNEBNJKH-VIFPVBQESA-N -1 1 302.342 0.057 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](O)COCC(C)C)n1 ZINC001609392661 1170964765 /nfs/dbraw/zinc/96/47/65/1170964765.db2.gz ZAMSFJOOMXXKJH-JTQLQIEISA-N -1 1 307.358 0.411 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](O)COCC(C)C)n1 ZINC001609392661 1170964777 /nfs/dbraw/zinc/96/47/77/1170964777.db2.gz ZAMSFJOOMXXKJH-JTQLQIEISA-N -1 1 307.358 0.411 20 0 DCADMM Cc1cc(NCc2nnnn2CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001609410325 1170969283 /nfs/dbraw/zinc/96/92/83/1170969283.db2.gz DQNUTKGZANJHBH-UHFFFAOYSA-N -1 1 312.341 0.579 20 0 DCADMM Cc1cc(NCc2nnnn2CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001609410325 1170969286 /nfs/dbraw/zinc/96/92/86/1170969286.db2.gz DQNUTKGZANJHBH-UHFFFAOYSA-N -1 1 312.341 0.579 20 0 DCADMM Cc1ccc(N2CCC3(CNC(=O)C3)CC2)nc1-c1nnn[n-]1 ZINC001609425577 1170974292 /nfs/dbraw/zinc/97/42/92/1170974292.db2.gz XIKDUCSFOHNBMU-UHFFFAOYSA-N -1 1 313.365 0.677 20 0 DCADMM Cc1ccc(N2CCC3(CNC(=O)C3)CC2)nc1-c1nn[n-]n1 ZINC001609425577 1170974297 /nfs/dbraw/zinc/97/42/97/1170974297.db2.gz XIKDUCSFOHNBMU-UHFFFAOYSA-N -1 1 313.365 0.677 20 0 DCADMM Cc1ccn(CN2CCSC[C@H](C)C2)c(=O)c1-c1nn[n-]n1 ZINC001609437957 1170976678 /nfs/dbraw/zinc/97/66/78/1170976678.db2.gz JJVPFWHVBVFPLP-SNVBAGLBSA-N -1 1 320.422 0.979 20 0 DCADMM Cc1cnc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)s1 ZINC001609441010 1170976990 /nfs/dbraw/zinc/97/69/90/1170976990.db2.gz JEEJXBJSGHYWRB-SSDOTTSWSA-N -1 1 320.338 0.528 20 0 DCADMM Cc1ccn(C)c(=O)c1NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609437544 1170977662 /nfs/dbraw/zinc/97/76/62/1170977662.db2.gz KREDTHXRAYURQJ-UHFFFAOYSA-N -1 1 300.278 0.719 20 0 DCADMM Cc1ccn(C)c(=O)c1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609437544 1170977669 /nfs/dbraw/zinc/97/76/69/1170977669.db2.gz KREDTHXRAYURQJ-UHFFFAOYSA-N -1 1 300.278 0.719 20 0 DCADMM Cc1[nH]nc(NC(=O)C(=O)c2ccc([O-])cc2)c1-c1nn[nH]n1 ZINC001609444371 1170978578 /nfs/dbraw/zinc/97/85/78/1170978578.db2.gz YPTKBDUJLCERPC-UHFFFAOYSA-N -1 1 313.277 0.425 20 0 DCADMM Cc1[nH]nc(NC(=O)CCc2nccs2)c1-c1nn[n-]n1 ZINC001609444560 1170978827 /nfs/dbraw/zinc/97/88/27/1170978827.db2.gz IPTHFJBPXZWRLM-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nsc(NC(=O)N2CCC[C@H]2CO)c1-c1nnn[n-]1 ZINC001609464811 1170987937 /nfs/dbraw/zinc/98/79/37/1170987937.db2.gz HIKBSRWFJINAHE-ZETCQYMHSA-N -1 1 309.355 0.620 20 0 DCADMM Cc1nsc(NC(=O)N2CCC[C@H]2CO)c1-c1nn[n-]n1 ZINC001609464811 1170987943 /nfs/dbraw/zinc/98/79/43/1170987943.db2.gz HIKBSRWFJINAHE-ZETCQYMHSA-N -1 1 309.355 0.620 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](C)[S@](=O)CC1 ZINC001609466718 1170989876 /nfs/dbraw/zinc/98/98/76/1170989876.db2.gz HZHFNBHRLIBTBY-QSIZCVBASA-N -1 1 323.378 0.751 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](C)[S@](=O)CC1 ZINC001609466718 1170989880 /nfs/dbraw/zinc/98/98/80/1170989880.db2.gz HZHFNBHRLIBTBY-QSIZCVBASA-N -1 1 323.378 0.751 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@](C)(O)c1ccco1 ZINC001609467439 1170990361 /nfs/dbraw/zinc/99/03/61/1170990361.db2.gz GMUVLCUGKGGKGY-AWEZNQCLSA-N -1 1 317.305 0.999 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@](C)(O)c1ccco1 ZINC001609467439 1170990363 /nfs/dbraw/zinc/99/03/63/1170990363.db2.gz GMUVLCUGKGGKGY-AWEZNQCLSA-N -1 1 317.305 0.999 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CC23CCCC3)n(C)c1=O ZINC001609476656 1170991705 /nfs/dbraw/zinc/99/17/05/1170991705.db2.gz PHFKFMSRBUNEBO-QMMMGPOBSA-N -1 1 317.353 0.009 20 0 DCADMM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609502931 1171001136 /nfs/dbraw/zinc/00/11/36/1171001136.db2.gz ULDMNXLLRHHMOE-SFYZADRCSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609502931 1171001139 /nfs/dbraw/zinc/00/11/39/1171001139.db2.gz ULDMNXLLRHHMOE-SFYZADRCSA-N -1 1 304.310 0.234 20 0 DCADMM NC(=O)[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001609502462 1171001935 /nfs/dbraw/zinc/00/19/35/1171001935.db2.gz LYOKOAFZDHMUEF-ZETCQYMHSA-N -1 1 307.745 0.617 20 0 DCADMM NC(=O)[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001609502462 1171001942 /nfs/dbraw/zinc/00/19/42/1171001942.db2.gz LYOKOAFZDHMUEF-ZETCQYMHSA-N -1 1 307.745 0.617 20 0 DCADMM O=C(NC1CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001609540047 1171015013 /nfs/dbraw/zinc/01/50/13/1171015013.db2.gz KRXBAEPJHUMPMK-SECBINFHSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC1CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001609540047 1171015020 /nfs/dbraw/zinc/01/50/20/1171015020.db2.gz KRXBAEPJHUMPMK-SECBINFHSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCC(F)(F)CO)c1cccc(F)c1-c1nnn[n-]1 ZINC001609543861 1171016682 /nfs/dbraw/zinc/01/66/82/1171016682.db2.gz BUVQQLWVEDFVAO-UHFFFAOYSA-N -1 1 301.228 0.363 20 0 DCADMM O=C(NCC(F)(F)CO)c1cccc(F)c1-c1nn[n-]n1 ZINC001609543861 1171016686 /nfs/dbraw/zinc/01/66/86/1171016686.db2.gz BUVQQLWVEDFVAO-UHFFFAOYSA-N -1 1 301.228 0.363 20 0 DCADMM O=C(NCCCn1cccc(-c2nn[n-]n2)c1=O)C1CCCC1 ZINC001609548367 1171019750 /nfs/dbraw/zinc/01/97/50/1171019750.db2.gz DWERSTWWNPPTTB-UHFFFAOYSA-N -1 1 316.365 0.725 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)o1)[C@H]1CCCOC1 ZINC001609573938 1171024958 /nfs/dbraw/zinc/02/49/58/1171024958.db2.gz YESOQJHMTLJLTH-QMMMGPOBSA-N -1 1 306.278 0.612 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001609581558 1171030589 /nfs/dbraw/zinc/03/05/89/1171030589.db2.gz RWRNPQOPGZFEHF-ZJUUUORDSA-N -1 1 303.322 0.958 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001609581558 1171030596 /nfs/dbraw/zinc/03/05/96/1171030596.db2.gz RWRNPQOPGZFEHF-ZJUUUORDSA-N -1 1 303.322 0.958 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1nc(-c2ccccc2)no1 ZINC001609604649 1171039694 /nfs/dbraw/zinc/03/96/94/1171039694.db2.gz CXRNNDBTQBDWIH-UHFFFAOYSA-N -1 1 322.288 0.522 20 0 DCADMM OC[C@H](CNc1cc(-c2nnn[n-]2)ncn1)CC1CCOCC1 ZINC001609608260 1171041420 /nfs/dbraw/zinc/04/14/20/1171041420.db2.gz DWPYZQMTTAGPJF-NSHDSACASA-N -1 1 319.369 0.494 20 0 DCADMM OC[C@H](CNc1cc(-c2nn[n-]n2)ncn1)CC1CCOCC1 ZINC001609608260 1171041428 /nfs/dbraw/zinc/04/14/28/1171041428.db2.gz DWPYZQMTTAGPJF-NSHDSACASA-N -1 1 319.369 0.494 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1CCOCC(F)(F)C(F)F ZINC001609605211 1171041524 /nfs/dbraw/zinc/04/15/24/1171041524.db2.gz PLTDZSRQSOICCR-UHFFFAOYSA-N -1 1 321.234 0.945 20 0 DCADMM O[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)c1cccc(F)c1 ZINC001609606814 1171043466 /nfs/dbraw/zinc/04/34/66/1171043466.db2.gz YQQIDEPHYQGMAK-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)c1cccc(F)c1 ZINC001609606814 1171043474 /nfs/dbraw/zinc/04/34/74/1171043474.db2.gz YQQIDEPHYQGMAK-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001609611231 1171047420 /nfs/dbraw/zinc/04/74/20/1171047420.db2.gz PHTNHBZCPHKMCX-ZDUSSCGKSA-N -1 1 300.297 0.968 20 0 DCADMM O[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001609611231 1171047426 /nfs/dbraw/zinc/04/74/26/1171047426.db2.gz PHTNHBZCPHKMCX-ZDUSSCGKSA-N -1 1 300.297 0.968 20 0 DCADMM c1sc(CN2CCC3(CC2)OCCO3)nc1-c1nnn[n-]1 ZINC001609620594 1171050076 /nfs/dbraw/zinc/05/00/76/1171050076.db2.gz KERDFDKMGHVOQP-UHFFFAOYSA-N -1 1 308.367 0.662 20 0 DCADMM c1sc(CN2CCC3(CC2)OCCO3)nc1-c1nn[n-]n1 ZINC001609620594 1171050083 /nfs/dbraw/zinc/05/00/83/1171050083.db2.gz KERDFDKMGHVOQP-UHFFFAOYSA-N -1 1 308.367 0.662 20 0 DCADMM C[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)N1CCN(C)CC1 ZINC001609744412 1171077118 /nfs/dbraw/zinc/07/71/18/1171077118.db2.gz ABSURVRGOKFQBI-IGEOTXOUSA-N -1 1 323.437 0.774 20 0 DCADMM C[C@@H](CN1CCN(C)CC1)NC(=O)c1cncc(C(=O)[O-])c1 ZINC001609743259 1171077481 /nfs/dbraw/zinc/07/74/81/1171077481.db2.gz JJSSHJUUSQNAKH-NSHDSACASA-N -1 1 306.366 0.146 20 0 DCADMM C[C@@](O)(CN[C@@H](CS(C)(=O)=O)c1ccccc1)C(=O)[O-] ZINC001609785460 1171085224 /nfs/dbraw/zinc/08/52/24/1171085224.db2.gz MYODEIRZPQTGFX-WCQYABFASA-N -1 1 301.364 0.198 20 0 DCADMM CC(C)n1ncc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1N ZINC001609868766 1171109935 /nfs/dbraw/zinc/10/99/35/1171109935.db2.gz VZZLTXIPKCSWOH-LLVKDONJSA-N -1 1 323.397 0.667 20 0 DCADMM CCN(CC(=O)[O-])C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C ZINC001609991261 1171132211 /nfs/dbraw/zinc/13/22/11/1171132211.db2.gz LXVXFCAJSMJIQA-LBPRGKRZSA-N -1 1 324.381 0.416 20 0 DCADMM CCc1cc(CNC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)[nH]n1 ZINC001610058693 1171147983 /nfs/dbraw/zinc/14/79/83/1171147983.db2.gz NVTGEKRVTOXXGX-GFCCVEGCSA-N -1 1 310.354 0.339 20 0 DCADMM CCn1cc(-c2[nH]ncc2C(=O)N[C@H](COC)C(=O)[O-])cn1 ZINC001610085060 1171152405 /nfs/dbraw/zinc/15/24/05/1171152405.db2.gz KGKYUKCRIJTPJZ-SNVBAGLBSA-N -1 1 307.310 0.123 20 0 DCADMM CN(C)C(=O)CN1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC001610093625 1171154478 /nfs/dbraw/zinc/15/44/78/1171154478.db2.gz LRUITVJMZNEUFR-OAHLLOKOSA-N -1 1 305.378 0.518 20 0 DCADMM CN(CC1CCCCC1)C(=O)C[N@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610113915 1171160743 /nfs/dbraw/zinc/16/07/43/1171160743.db2.gz RMJQRCZDRTXXEZ-UONOGXRCSA-N -1 1 312.410 0.793 20 0 DCADMM CN(CC1CCCCC1)C(=O)CN1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001610113915 1171160746 /nfs/dbraw/zinc/16/07/46/1171160746.db2.gz RMJQRCZDRTXXEZ-UONOGXRCSA-N -1 1 312.410 0.793 20 0 DCADMM CN1C[C@H]2[C@@H](CCN2S(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC001610133154 1171167837 /nfs/dbraw/zinc/16/78/37/1171167837.db2.gz IDWPVFNRWIDCHB-WPRPVWTQSA-N -1 1 316.404 0.771 20 0 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C[C@H](CNC(=O)C1(CCF)CC1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001368976033 964226367 /nfs/dbraw/zinc/22/63/67/964226367.db2.gz ZZEAOPHXXQWZSX-SNVBAGLBSA-N -1 1 313.377 0.185 20 0 DCADMM Cc1ccc(C(=O)N(C)C[C@H](C)NCc2n[nH]c(=O)[n-]2)c(=O)[nH]1 ZINC001369278234 964638910 /nfs/dbraw/zinc/63/89/10/964638910.db2.gz JKOUWJQXUNOZOG-VIFPVBQESA-N -1 1 320.353 0.170 20 0 DCADMM CCN(CCNC(=O)[C@H](OC)C1CC1)C(=O)c1ncccc1[O-] ZINC001373804009 964651392 /nfs/dbraw/zinc/65/13/92/964651392.db2.gz HRLLIFFLAMOGKG-CQSZACIVSA-N -1 1 321.377 0.791 20 0 DCADMM C[C@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)NCc1n[nH]c(=O)[n-]1 ZINC001369292457 964666642 /nfs/dbraw/zinc/66/66/42/964666642.db2.gz DTHLWTOLDGDAQP-MNOVXSKESA-N -1 1 323.397 0.264 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1cnco1 ZINC001373824089 964681124 /nfs/dbraw/zinc/68/11/24/964681124.db2.gz MWARYVRGJXJZRT-UHFFFAOYSA-N -1 1 304.306 0.667 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@@H](C)CNCc2csnn2)c1[O-] ZINC001374004781 964878206 /nfs/dbraw/zinc/87/82/06/964878206.db2.gz 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965215799 /nfs/dbraw/zinc/21/57/99/965215799.db2.gz AQKMZXDHORDCCU-BLLLJJGKSA-N -1 1 320.393 0.608 20 0 DCADMM COC[C@H](C)C(=O)NCC1CC(NC(=O)c2ncccc2[O-])C1 ZINC001369626632 965227422 /nfs/dbraw/zinc/22/74/22/965227422.db2.gz UMVFPOSASDNQFF-UNXYVOJBSA-N -1 1 321.377 0.694 20 0 DCADMM C[C@@H](NC(=O)Cn1cccn1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001369663604 965264803 /nfs/dbraw/zinc/26/48/03/965264803.db2.gz NEPDAIVVUDXXOW-MNOVXSKESA-N -1 1 317.349 0.307 20 0 DCADMM Cc1ccsc1C(=O)N(C)CCN(C)Cc1nc(=O)n(C)[n-]1 ZINC001374457161 965408831 /nfs/dbraw/zinc/40/88/31/965408831.db2.gz CKQTWZLEZHKUDF-UHFFFAOYSA-N -1 1 323.422 0.682 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@]1(C)CCOC1 ZINC001430561046 1013587765 /nfs/dbraw/zinc/58/77/65/1013587765.db2.gz GEKGROJEZDRNDD-BZNIZROVSA-N -1 1 321.377 0.838 20 0 DCADMM Cc1cc(C(=O)N[C@@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)ns1 ZINC001447841582 1013587896 /nfs/dbraw/zinc/58/78/96/1013587896.db2.gz YCDFEKLJMOONSM-YUMQZZPRSA-N -1 1 310.383 0.572 20 0 DCADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ncc[nH]1 ZINC001430568119 1013594559 /nfs/dbraw/zinc/59/45/59/1013594559.db2.gz WPIAALIHUKVBMC-VIFPVBQESA-N -1 1 303.322 0.449 20 0 DCADMM CCCn1nccc1C(=O)N[C@H](C)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001447857365 1013603417 /nfs/dbraw/zinc/60/34/17/1013603417.db2.gz OFDWGJYKIUJXNV-VHSXEESVSA-N -1 1 321.385 0.413 20 0 DCADMM CC1(C)CC[C@H]1C(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001370217493 965895298 /nfs/dbraw/zinc/89/52/98/965895298.db2.gz OMHVIXJBJKNVCJ-WDEREUQCSA-N -1 1 307.398 0.931 20 0 DCADMM Cc1n[nH]c(C)c1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001447870218 1013613719 /nfs/dbraw/zinc/61/37/19/1013613719.db2.gz ADVBXYXMCKQQGM-MRVPVSSYSA-N -1 1 317.349 0.675 20 0 DCADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1=CCOCC1 ZINC001375061433 966300915 /nfs/dbraw/zinc/30/09/15/966300915.db2.gz UXIMWDJYECHMGD-LBPRGKRZSA-N -1 1 319.361 0.759 20 0 DCADMM C[C@@H](NC(=O)C1(F)CCOCC1)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001381402415 966382081 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158186018 /nfs/dbraw/zinc/18/60/18/158186018.db2.gz HRPCQIIQYCKWBJ-QMMMGPOBSA-N -1 1 315.333 0.167 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@]2(C)CCCO2)o1 ZINC000129237654 158286124 /nfs/dbraw/zinc/28/61/24/158286124.db2.gz WQKJFZQYDRDGJK-LBPRGKRZSA-N -1 1 302.352 0.487 20 0 DCADMM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2c([O-])cccc2F)O1 ZINC000131350668 158301462 /nfs/dbraw/zinc/30/14/62/158301462.db2.gz NCHFRUMMLBOLML-BXKDBHETSA-N -1 1 310.325 0.897 20 0 DCADMM CN(CC(=O)NC1CC1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000132540846 158311934 /nfs/dbraw/zinc/31/19/34/158311934.db2.gz MBZGVQZLZXQKBE-UHFFFAOYSA-N -1 1 303.322 0.025 20 0 DCADMM C[C@@H](CN(C)C)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000137621251 158346181 /nfs/dbraw/zinc/34/61/81/158346181.db2.gz WQHXHIJNQVRIQU-ZETCQYMHSA-N -1 1 322.333 0.891 20 0 DCADMM Cn1[n-]c(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)nc1=O ZINC000328932871 159043973 /nfs/dbraw/zinc/04/39/73/159043973.db2.gz DRLXNCORFGTUHP-CABZTGNLSA-N -1 1 310.304 0.695 20 0 DCADMM Cn1[n-]c(CN2CCC(OC[C@@H]3CCCCO3)CC2)nc1=O ZINC000329272478 159078145 /nfs/dbraw/zinc/07/81/45/159078145.db2.gz IOAYYYOYRAEMTD-ZDUSSCGKSA-N -1 1 310.398 0.659 20 0 DCADMM O=S(=O)(C[C@H]1CCCCO1)[N-]Cc1nnc(C2CC2)o1 ZINC000330034974 159136999 /nfs/dbraw/zinc/13/69/99/159136999.db2.gz BMJNPBUVYHWGCB-SNVBAGLBSA-N -1 1 301.368 0.936 20 0 DCADMM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000348284128 159239099 /nfs/dbraw/zinc/23/90/99/159239099.db2.gz SKPOEAKHIXCBOE-SNVBAGLBSA-N -1 1 318.337 0.353 20 0 DCADMM CN1CCOc2ccc(NC(=O)NN3CC(=O)[N-]C3=O)cc21 ZINC000365649648 159278740 /nfs/dbraw/zinc/27/87/40/159278740.db2.gz ONJICLSQENEIRS-UHFFFAOYSA-N -1 1 305.294 0.104 20 0 DCADMM O=C(N1CCO[C@@H](c2nn[n-]n2)C1)C(F)(F)C1(O)CCCC1 ZINC000367352236 159332274 /nfs/dbraw/zinc/33/22/74/159332274.db2.gz AARWFGGKGSISHY-MRVPVSSYSA-N -1 1 317.296 0.040 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C(C)C)C2)o1 ZINC000408143294 160047008 /nfs/dbraw/zinc/04/70/08/160047008.db2.gz UIKCYFGAZBLXGH-NSHDSACASA-N -1 1 316.379 0.685 20 0 DCADMM CSC1(CNC(=O)CNC(=O)c2ncccc2[O-])CCC1 ZINC000345286102 287157111 /nfs/dbraw/zinc/15/71/11/287157111.db2.gz VSXRMRRKJNUXIW-UHFFFAOYSA-N -1 1 309.391 0.919 20 0 DCADMM Cn1ncc2c1[n-]cc(C(=O)N1CCC[C@@H](OCCO)C1)c2=O ZINC000358405387 287209894 /nfs/dbraw/zinc/20/98/94/287209894.db2.gz ZIGMTLDRXLXJRJ-SNVBAGLBSA-N -1 1 320.349 0.287 20 0 DCADMM CCC[C@H](NC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1nn[n-]n1 ZINC000268156132 415168609 /nfs/dbraw/zinc/16/86/09/415168609.db2.gz HECNOGGECRYEBK-VIFPVBQESA-N -1 1 301.310 0.641 20 0 DCADMM O=C(Nc1cnn(-c2ccccc2)c1)c1cc(=O)n2[n-]cnc2n1 ZINC000352433544 415173038 /nfs/dbraw/zinc/17/30/38/415173038.db2.gz VYBHGJPKHJSGLT-UHFFFAOYSA-N -1 1 321.300 0.856 20 0 DCADMM COc1ccccc1[C@@H](C)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000352615648 415248645 /nfs/dbraw/zinc/24/86/45/415248645.db2.gz HAVNDUYGWUVSHP-SECBINFHSA-N -1 1 313.317 0.917 20 0 DCADMM O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1nnn[n-]1 ZINC000342857261 415319768 /nfs/dbraw/zinc/31/97/68/415319768.db2.gz LIMMQVHIPDTVPR-UHFFFAOYSA-N -1 1 313.277 0.223 20 0 DCADMM O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1nn[n-]n1 ZINC000342857261 415319775 /nfs/dbraw/zinc/31/97/75/415319775.db2.gz LIMMQVHIPDTVPR-UHFFFAOYSA-N -1 1 313.277 0.223 20 0 DCADMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccccn1 ZINC000343175650 415486033 /nfs/dbraw/zinc/48/60/33/415486033.db2.gz JARCWIJKOKRGDQ-JTQLQIEISA-N -1 1 300.318 0.789 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])CC[N@H+]1C ZINC000343277568 415525441 /nfs/dbraw/zinc/52/54/41/415525441.db2.gz FETORYGTJVGHJA-QWRGUYRKSA-N -1 1 306.366 0.116 20 0 DCADMM CC(C)(C)OC(=O)NC[C@](C)(NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC000092643149 415544338 /nfs/dbraw/zinc/54/43/38/415544338.db2.gz RJPRPKOXGOMQAH-AWEZNQCLSA-N -1 1 311.386 0.881 20 0 DCADMM CSc1nc(=NC(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)s[n-]1 ZINC000333145272 415568908 /nfs/dbraw/zinc/56/89/08/415568908.db2.gz LRRLLYHIVPSNSE-BQBZGAKWSA-N -1 1 317.440 0.916 20 0 DCADMM Cc1nc(S(=O)(=O)[N-]CCN2CCOC[C@H]2C)sc1C ZINC000333341459 415616799 /nfs/dbraw/zinc/61/67/99/415616799.db2.gz PBXPTMTZOGJBOM-SECBINFHSA-N -1 1 319.452 0.759 20 0 DCADMM CC(C)Oc1ncccc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000353657425 415617229 /nfs/dbraw/zinc/61/72/29/415617229.db2.gz LRZZTKDNJMRGHN-UHFFFAOYSA-N -1 1 314.305 0.852 20 0 DCADMM Cn1[n-]c(CN2CCC(Oc3ncccc3F)CC2)nc1=O ZINC000333372099 415629427 /nfs/dbraw/zinc/62/94/27/415629427.db2.gz ZQWQSPBOYINCET-UHFFFAOYSA-N -1 1 307.329 0.686 20 0 DCADMM O=C(Nc1cccc(-n2ccnc2)c1)c1cc(=O)n2[n-]cnc2n1 ZINC000353739850 415644274 /nfs/dbraw/zinc/64/42/74/415644274.db2.gz VKJUPWRBPVBTNN-UHFFFAOYSA-N -1 1 321.300 0.856 20 0 DCADMM Cc1noc([C@@H](C)NC(=O)CNC(=O)c2ncccc2[O-])n1 ZINC000343383041 415583005 /nfs/dbraw/zinc/58/30/05/415583005.db2.gz MGQAOGNHZNOTEZ-SSDOTTSWSA-N -1 1 305.294 0.086 20 0 DCADMM Cc1noc(CC[N-]S(=O)(=O)c2nc(C)c(C)s2)n1 ZINC000333241351 415592445 /nfs/dbraw/zinc/59/24/45/415592445.db2.gz INKFJNBSMBSFCO-UHFFFAOYSA-N -1 1 302.381 0.972 20 0 DCADMM Cc1onc(N)c1S(=O)(=O)[N-]CC1([S@](C)=O)CCC1 ZINC000289911497 415733946 /nfs/dbraw/zinc/73/39/46/415733946.db2.gz QFGQWJKXLMBBIN-SFHVURJKSA-N -1 1 307.397 0.145 20 0 DCADMM CCC[C@@H](NC(=O)CCc1nc([C@@H](C)OC)no1)c1nn[n-]n1 ZINC000343746023 415708765 /nfs/dbraw/zinc/70/87/65/415708765.db2.gz OWPYAVYCLLEIFS-RKDXNWHRSA-N -1 1 323.357 0.880 20 0 DCADMM CCC[C@H](NC(=O)CNC(=O)CC1CCCC1)c1nn[n-]n1 ZINC000343759447 415711356 /nfs/dbraw/zinc/71/13/56/415711356.db2.gz CEADESDHPFMIRP-NSHDSACASA-N -1 1 308.386 0.854 20 0 DCADMM CCC[C@H](NC(=O)CCS(=O)(=O)CC(C)C)c1nn[n-]n1 ZINC000343756130 415711525 /nfs/dbraw/zinc/71/15/25/415711525.db2.gz VTUJXPWDDKNZKI-JTQLQIEISA-N -1 1 317.415 0.618 20 0 DCADMM C[C@]1(CO)CCC[C@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000343855868 415753544 /nfs/dbraw/zinc/75/35/44/415753544.db2.gz XSWDRWXHGTYGHP-IAQYHMDHSA-N -1 1 307.350 0.184 20 0 DCADMM CC(C)OC(=O)[C@@H](C)N(C)C(=O)CNC(=O)c1ncccc1[O-] ZINC000343859279 415755723 /nfs/dbraw/zinc/75/57/23/415755723.db2.gz HQPHSZSDDQJVGI-SNVBAGLBSA-N -1 1 323.349 0.316 20 0 DCADMM CC(C)(NC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1nn[n-]n1 ZINC000354787213 415817760 /nfs/dbraw/zinc/81/77/60/415817760.db2.gz OUHBWRWTTYXEMD-JTQLQIEISA-N -1 1 316.321 0.341 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCCc2c[nH]nc21 ZINC000344409520 415908732 /nfs/dbraw/zinc/90/87/32/415908732.db2.gz YRUSLHMMOJJXFM-JTQLQIEISA-N -1 1 315.333 0.434 20 0 DCADMM CN1CCCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000298285914 416000572 /nfs/dbraw/zinc/00/05/72/416000572.db2.gz WBOCBMCSPIUMOQ-UHFFFAOYSA-N -1 1 311.407 0.836 20 0 DCADMM CNC(=O)c1[nH]nnc1NC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC000297661689 415967285 /nfs/dbraw/zinc/96/72/85/415967285.db2.gz GCKWDOGEWATOMO-LLVKDONJSA-N -1 1 315.333 0.805 20 0 DCADMM CSc1nc(C)c(CCC(=O)N2CCN(C)CC2)c(=O)[n-]1 ZINC000298110957 415993511 /nfs/dbraw/zinc/99/35/11/415993511.db2.gz UKIXGIUWTJTLNF-UHFFFAOYSA-N -1 1 310.423 0.919 20 0 DCADMM COC[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1ccc(C)o1 ZINC000357346082 416064725 /nfs/dbraw/zinc/06/47/25/416064725.db2.gz JBNMTKSXNFFEQM-QMMMGPOBSA-N -1 1 323.305 0.915 20 0 DCADMM CCCC(O)(CCC)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000357365200 416067843 /nfs/dbraw/zinc/06/78/43/416067843.db2.gz OZXGAFCPVLBZQG-UHFFFAOYSA-N -1 1 313.354 0.958 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000357376376 416069447 /nfs/dbraw/zinc/06/94/47/416069447.db2.gz MJTSTTILGCWKPH-CLAHSXSESA-N -1 1 311.338 0.567 20 0 DCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC[C@H](O)CC ZINC000158961143 416004735 /nfs/dbraw/zinc/00/47/35/416004735.db2.gz VOHLZNOSNUKGEC-MRVPVSSYSA-N -1 1 305.356 0.026 20 0 DCADMM CO[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000337842804 416014803 /nfs/dbraw/zinc/01/48/03/416014803.db2.gz GULAGLCSNGVGFV-PWSUYJOCSA-N -1 1 307.350 0.591 20 0 DCADMM C[C@H]1SCCN(C(=O)CNC(=O)c2ncccc2[O-])[C@@H]1C ZINC000337891634 416019820 /nfs/dbraw/zinc/01/98/20/416019820.db2.gz AJRMUCAOGJYRBS-NXEZZACHSA-N -1 1 309.391 0.869 20 0 DCADMM Cc1cc(S(=O)(=O)N[C@@H](C)CN(C)C)sc1C(=O)[O-] ZINC000168649153 416024741 /nfs/dbraw/zinc/02/47/41/416024741.db2.gz IKWMRRDYEGJZCW-QMMMGPOBSA-N -1 1 306.409 0.983 20 0 DCADMM COc1ccccc1CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000337945108 416025370 /nfs/dbraw/zinc/02/53/70/416025370.db2.gz IPSCICGOYPSTMO-UHFFFAOYSA-N -1 1 315.329 0.842 20 0 DCADMM CC(C)(C)OC(=O)CSCC(=O)NC1(c2nn[n-]n2)CC1 ZINC000357074835 416030667 /nfs/dbraw/zinc/03/06/67/416030667.db2.gz SWSXMYGQSGNEOG-UHFFFAOYSA-N -1 1 313.383 0.380 20 0 DCADMM CC(=O)N[C@@H](CC(=O)Nc1nnn[n-]1)c1ccc(F)cc1F ZINC000357093982 416033673 /nfs/dbraw/zinc/03/36/73/416033673.db2.gz XKNMKYCMDJQHCZ-JTQLQIEISA-N -1 1 310.264 0.684 20 0 DCADMM CC(=O)N[C@@H](CC(=O)Nc1nn[n-]n1)c1ccc(F)cc1F ZINC000357093982 416033680 /nfs/dbraw/zinc/03/36/80/416033680.db2.gz XKNMKYCMDJQHCZ-JTQLQIEISA-N -1 1 310.264 0.684 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(CCO)cc2)o1 ZINC000171103932 416035721 /nfs/dbraw/zinc/03/57/21/416035721.db2.gz KKEXVCADUQHBGE-UHFFFAOYSA-N -1 1 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ZINC000820989372 606163942 /nfs/dbraw/zinc/16/39/42/606163942.db2.gz RHMPKRMMWISWOX-BDAKNGLRSA-N -1 1 320.357 0.631 20 0 DCADMM CC[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000820989372 606163944 /nfs/dbraw/zinc/16/39/44/606163944.db2.gz RHMPKRMMWISWOX-BDAKNGLRSA-N -1 1 320.357 0.631 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOC2CCCC2)n1 ZINC000822620177 606169444 /nfs/dbraw/zinc/16/94/44/606169444.db2.gz KJLKHWVGBVKFEI-UHFFFAOYSA-N -1 1 320.357 0.681 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOC2CCCC2)n1 ZINC000822620177 606169445 /nfs/dbraw/zinc/16/94/45/606169445.db2.gz KJLKHWVGBVKFEI-UHFFFAOYSA-N -1 1 320.357 0.681 20 0 DCADMM Cc1cc(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])no1 ZINC000822210513 606298251 /nfs/dbraw/zinc/29/82/51/606298251.db2.gz FTPHJYDXWYLVJK-UHFFFAOYSA-N -1 1 316.277 0.886 20 0 DCADMM O=C(NCCCNc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC000823192232 606426959 /nfs/dbraw/zinc/42/69/59/606426959.db2.gz UDBKIWSVYUSHOU-UHFFFAOYSA-N -1 1 301.354 0.980 20 0 DCADMM O=C(NCCCNc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC000823192232 606426961 /nfs/dbraw/zinc/42/69/61/606426961.db2.gz UDBKIWSVYUSHOU-UHFFFAOYSA-N -1 1 301.354 0.980 20 0 DCADMM CC(=O)N1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000819796393 606443861 /nfs/dbraw/zinc/44/38/61/606443861.db2.gz HCNMJIQHLCDSKH-UHFFFAOYSA-N -1 1 321.772 0.974 20 0 DCADMM CC(=O)N1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000819796393 606443862 /nfs/dbraw/zinc/44/38/62/606443862.db2.gz HCNMJIQHLCDSKH-UHFFFAOYSA-N -1 1 321.772 0.974 20 0 DCADMM Clc1ccc(N2CCC3(C2)OCCO3)nc1-c1nnn[n-]1 ZINC000822574768 606467148 /nfs/dbraw/zinc/46/71/48/606467148.db2.gz YUJKIARKHBQGDI-UHFFFAOYSA-N -1 1 308.729 0.868 20 0 DCADMM Clc1ccc(N2CCC3(C2)OCCO3)nc1-c1nn[n-]n1 ZINC000822574768 606467149 /nfs/dbraw/zinc/46/71/49/606467149.db2.gz YUJKIARKHBQGDI-UHFFFAOYSA-N -1 1 308.729 0.868 20 0 DCADMM CN(CC(F)F)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000821594744 606482208 /nfs/dbraw/zinc/48/22/08/606482208.db2.gz ARJRMYXXJBCCSK-UHFFFAOYSA-N -1 1 324.339 0.822 20 0 DCADMM CN(CC(F)F)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000821594744 606482209 /nfs/dbraw/zinc/48/22/09/606482209.db2.gz ARJRMYXXJBCCSK-UHFFFAOYSA-N -1 1 324.339 0.822 20 0 DCADMM CCN(CC)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821175058 606535628 /nfs/dbraw/zinc/53/56/28/606535628.db2.gz BGGFFMIBFKSPFJ-UHFFFAOYSA-N -1 1 308.367 0.526 20 0 DCADMM CCN(CC)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821175058 606535630 /nfs/dbraw/zinc/53/56/30/606535630.db2.gz BGGFFMIBFKSPFJ-UHFFFAOYSA-N -1 1 308.367 0.526 20 0 DCADMM C[C@@H]1COCCN1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820814222 606551975 /nfs/dbraw/zinc/55/19/75/606551975.db2.gz SZBICOVXQZBOIF-SECBINFHSA-N -1 1 322.394 0.379 20 0 DCADMM C[C@@H]1COCCN1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820814222 606551977 /nfs/dbraw/zinc/55/19/77/606551977.db2.gz SZBICOVXQZBOIF-SECBINFHSA-N -1 1 322.394 0.379 20 0 DCADMM CC(=O)N[C@H](C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000819802448 606589313 /nfs/dbraw/zinc/58/93/13/606589313.db2.gz BWIBGPOGYBSVEH-SSDOTTSWSA-N -1 1 320.357 0.281 20 0 DCADMM CC(=O)N[C@H](C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000819802448 606589315 /nfs/dbraw/zinc/58/93/15/606589315.db2.gz BWIBGPOGYBSVEH-SSDOTTSWSA-N -1 1 320.357 0.281 20 0 DCADMM CC(C)COCCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820102763 606596942 /nfs/dbraw/zinc/59/69/42/606596942.db2.gz JNRZUYGGMZXPMK-UHFFFAOYSA-N -1 1 322.373 0.784 20 0 DCADMM CC(C)COCCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820102763 606596943 /nfs/dbraw/zinc/59/69/43/606596943.db2.gz JNRZUYGGMZXPMK-UHFFFAOYSA-N -1 1 322.373 0.784 20 0 DCADMM C[C@H](CC[S@](C)=O)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820248801 606598017 /nfs/dbraw/zinc/59/80/17/606598017.db2.gz NZUSQWHXHQFHHI-GLEHDBDLSA-N -1 1 313.408 0.815 20 0 DCADMM C[C@H](CC[S@](C)=O)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820248801 606598018 /nfs/dbraw/zinc/59/80/18/606598018.db2.gz NZUSQWHXHQFHHI-GLEHDBDLSA-N -1 1 313.408 0.815 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCOCC2CC2)n1 ZINC000822614870 606598061 /nfs/dbraw/zinc/59/80/61/606598061.db2.gz VTSMIBCAVDAGSK-UHFFFAOYSA-N -1 1 320.357 0.538 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCOCC2CC2)n1 ZINC000822614870 606598062 /nfs/dbraw/zinc/59/80/62/606598062.db2.gz VTSMIBCAVDAGSK-UHFFFAOYSA-N -1 1 320.357 0.538 20 0 DCADMM CO[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1(C)C ZINC000821679324 606618070 /nfs/dbraw/zinc/61/80/70/606618070.db2.gz ZWQCNHVBWBNUIH-BDAKNGLRSA-N -1 1 320.357 0.535 20 0 DCADMM CO[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1(C)C ZINC000821679324 606618071 /nfs/dbraw/zinc/61/80/71/606618071.db2.gz ZWQCNHVBWBNUIH-BDAKNGLRSA-N -1 1 320.357 0.535 20 0 DCADMM Cc1cc(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)no1 ZINC000822210971 606650293 /nfs/dbraw/zinc/65/02/93/606650293.db2.gz ZCARWKBHRPGXRC-UHFFFAOYSA-N -1 1 316.277 0.680 20 0 DCADMM Cc1cc(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)no1 ZINC000822210971 606650294 /nfs/dbraw/zinc/65/02/94/606650294.db2.gz ZCARWKBHRPGXRC-UHFFFAOYSA-N -1 1 316.277 0.680 20 0 DCADMM Cc1cnn(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000822403480 606650635 /nfs/dbraw/zinc/65/06/35/606650635.db2.gz OZAZKAPFUAUEGO-UHFFFAOYSA-N -1 1 313.321 0.900 20 0 DCADMM Cc1cnn(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000822403480 606650636 /nfs/dbraw/zinc/65/06/36/606650636.db2.gz OZAZKAPFUAUEGO-UHFFFAOYSA-N -1 1 313.321 0.900 20 0 DCADMM COc1ccc(CNC(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000821798784 606655087 /nfs/dbraw/zinc/65/50/87/606655087.db2.gz NLWLGPWVQJNGKM-UHFFFAOYSA-N -1 1 313.321 0.388 20 0 DCADMM COc1ccc(CNC(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000821798784 606655088 /nfs/dbraw/zinc/65/50/88/606655088.db2.gz NLWLGPWVQJNGKM-UHFFFAOYSA-N -1 1 313.321 0.388 20 0 DCADMM CC[C@H](CCO)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820903141 606697048 /nfs/dbraw/zinc/69/70/48/606697048.db2.gz QXHHOOFXMXLTLG-MRVPVSSYSA-N -1 1 308.346 0.130 20 0 DCADMM CC[C@H](CCO)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820903141 606697049 /nfs/dbraw/zinc/69/70/49/606697049.db2.gz QXHHOOFXMXLTLG-MRVPVSSYSA-N -1 1 308.346 0.130 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823150685 606752584 /nfs/dbraw/zinc/75/25/84/606752584.db2.gz RXYZGRCWIDTDDF-NQBHXWOUSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823150685 606752585 /nfs/dbraw/zinc/75/25/85/606752585.db2.gz RXYZGRCWIDTDDF-NQBHXWOUSA-N -1 1 314.349 0.949 20 0 DCADMM CC[C@H](C)CSc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820870117 606798942 /nfs/dbraw/zinc/79/89/42/606798942.db2.gz NBDWHXKMIMQUFA-ZETCQYMHSA-N -1 1 310.383 0.402 20 0 DCADMM CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820837712 606825294 /nfs/dbraw/zinc/82/52/94/606825294.db2.gz LWOSPWYMXVOZOM-SECBINFHSA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820837712 606825295 /nfs/dbraw/zinc/82/52/95/606825295.db2.gz LWOSPWYMXVOZOM-SECBINFHSA-N -1 1 302.342 0.104 20 0 DCADMM CCc1nnc(Sc2nnnn2C)c(-c2nn[n-]n2)c1CC ZINC000821548779 606916685 /nfs/dbraw/zinc/91/66/85/606916685.db2.gz YEGTYIBKQMGOMX-UHFFFAOYSA-N -1 1 318.370 0.456 20 0 DCADMM CCOC(=O)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000736593762 607028407 /nfs/dbraw/zinc/02/84/07/607028407.db2.gz JQGOVVIXWFFNSD-SECBINFHSA-N -1 1 303.326 0.436 20 0 DCADMM CCOC(=O)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000736593762 607028409 /nfs/dbraw/zinc/02/84/09/607028409.db2.gz JQGOVVIXWFFNSD-SECBINFHSA-N -1 1 303.326 0.436 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(F)c(F)c1F ZINC000822903640 607143127 /nfs/dbraw/zinc/14/31/27/607143127.db2.gz MGJSZKLKTLBQKR-UHFFFAOYSA-N -1 1 309.211 0.751 20 0 DCADMM CN(C)c1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821591000 607207464 /nfs/dbraw/zinc/20/74/64/607207464.db2.gz PWVDNXBLRBCUPG-UHFFFAOYSA-N -1 1 313.325 0.163 20 0 DCADMM Cc1ccc2c(c1)[C@@H](NC(=O)Cn1cnc(-c3nn[n-]n3)n1)CC2 ZINC000822275617 607215189 /nfs/dbraw/zinc/21/51/89/607215189.db2.gz XGDALSFBQHNCPL-LBPRGKRZSA-N -1 1 324.348 0.570 20 0 DCADMM C[C@H]1CCC[C@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820697388 607217579 /nfs/dbraw/zinc/21/75/79/607217579.db2.gz GQYIDFSEIQQVQS-WDEREUQCSA-N -1 1 318.385 0.791 20 0 DCADMM CSc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc1 ZINC000821983315 607217684 /nfs/dbraw/zinc/21/76/84/607217684.db2.gz GEFDBNUZPRAKQV-UHFFFAOYSA-N -1 1 317.338 0.214 20 0 DCADMM CC[C@@H]1CCC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000820972065 607218729 /nfs/dbraw/zinc/21/87/29/607218729.db2.gz KBXPHQJSEFUXSQ-ZJUUUORDSA-N -1 1 304.358 0.543 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)c(F)c(F)c1 ZINC000823131976 607219101 /nfs/dbraw/zinc/21/91/01/607219101.db2.gz SZCULYOYUMVHLX-UHFFFAOYSA-N -1 1 324.226 0.514 20 0 DCADMM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820633797 607219372 /nfs/dbraw/zinc/21/93/72/607219372.db2.gz DQBIRSVSXSAQQF-NHYWBVRUSA-N -1 1 324.348 0.305 20 0 DCADMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(C)cs1 ZINC000821153919 607219512 /nfs/dbraw/zinc/21/95/12/607219512.db2.gz HIBPMGGFRDPAPV-UHFFFAOYSA-N -1 1 319.354 0.276 20 0 DCADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cnc1Cl ZINC000822208271 607221185 /nfs/dbraw/zinc/22/11/85/607221185.db2.gz JUKFBILRABAPMZ-UHFFFAOYSA-N -1 1 319.716 0.454 20 0 DCADMM CCCn1c(CO)nnc1Sc1cccc(-c2nnn[n-]2)n1 ZINC000825357045 607902226 /nfs/dbraw/zinc/90/22/26/607902226.db2.gz WHUXLQFDQVXBDR-UHFFFAOYSA-N -1 1 318.366 0.907 20 0 DCADMM CCCn1c(CO)nnc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000825357045 607902227 /nfs/dbraw/zinc/90/22/27/607902227.db2.gz WHUXLQFDQVXBDR-UHFFFAOYSA-N -1 1 318.366 0.907 20 0 DCADMM NC(=O)[C@@H](Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000826388609 607903434 /nfs/dbraw/zinc/90/34/34/607903434.db2.gz FFRMZLIKWPWBTF-GFCCVEGCSA-N -1 1 309.333 0.770 20 0 DCADMM NC(=O)[C@@H](Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000826388609 607903435 /nfs/dbraw/zinc/90/34/35/607903435.db2.gz FFRMZLIKWPWBTF-GFCCVEGCSA-N -1 1 309.333 0.770 20 0 DCADMM CC(=O)N[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(C)C ZINC000823988821 607997852 /nfs/dbraw/zinc/99/78/52/607997852.db2.gz JYDISJYUWRHOBF-LBPRGKRZSA-N -1 1 318.337 0.672 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@H]1CCO ZINC000826472558 608054480 /nfs/dbraw/zinc/05/44/80/608054480.db2.gz OHCVPKWJCMBLJW-NSHDSACASA-N -1 1 302.338 0.639 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@H]1CCO ZINC000826472558 608054481 /nfs/dbraw/zinc/05/44/81/608054481.db2.gz OHCVPKWJCMBLJW-NSHDSACASA-N -1 1 302.338 0.639 20 0 DCADMM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825486791 608139530 /nfs/dbraw/zinc/13/95/30/608139530.db2.gz YUPQPWQRSMKJBC-DTWKUNHWSA-N -1 1 318.337 0.579 20 0 DCADMM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825486791 608139531 /nfs/dbraw/zinc/13/95/31/608139531.db2.gz YUPQPWQRSMKJBC-DTWKUNHWSA-N -1 1 318.337 0.579 20 0 DCADMM CCN(CC(=O)NC)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825395748 608187372 /nfs/dbraw/zinc/18/73/72/608187372.db2.gz VCDMLJYRWPNFET-UHFFFAOYSA-N -1 1 301.763 0.549 20 0 DCADMM CCN(CC(=O)NC)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825395748 608187375 /nfs/dbraw/zinc/18/73/75/608187375.db2.gz VCDMLJYRWPNFET-UHFFFAOYSA-N -1 1 301.763 0.549 20 0 DCADMM CS[C@@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826224872 608212304 /nfs/dbraw/zinc/21/23/04/608212304.db2.gz NUAAEKDYGBUXEY-ZETCQYMHSA-N -1 1 324.414 0.315 20 0 DCADMM CS[C@@H](C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826224872 608212305 /nfs/dbraw/zinc/21/23/05/608212305.db2.gz NUAAEKDYGBUXEY-ZETCQYMHSA-N -1 1 324.414 0.315 20 0 DCADMM CC[C@H]1CC[C@@H](C)N1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825195844 608237318 /nfs/dbraw/zinc/23/73/18/608237318.db2.gz ZFBOTFSWGZVIEY-BDAKNGLRSA-N -1 1 319.369 0.031 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1NC[C@H]1COC2(CCCC2)O1 ZINC000826515452 608295340 /nfs/dbraw/zinc/29/53/40/608295340.db2.gz ZCGSJAIWAZWXAX-VIFPVBQESA-N -1 1 303.326 0.754 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1NC[C@H]1COC2(CCCC2)O1 ZINC000826515452 608295343 /nfs/dbraw/zinc/29/53/43/608295343.db2.gz ZCGSJAIWAZWXAX-VIFPVBQESA-N -1 1 303.326 0.754 20 0 DCADMM CCc1nn(Cc2ccnn2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763093 608330015 /nfs/dbraw/zinc/33/00/15/608330015.db2.gz NMLRUZXCDBQTME-UHFFFAOYSA-N -1 1 314.353 0.330 20 0 DCADMM CC(C)(C)OC(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000824114145 608404187 /nfs/dbraw/zinc/40/41/87/608404187.db2.gz KPRRQYCCYXZKDY-UHFFFAOYSA-N -1 1 306.330 0.593 20 0 DCADMM CCOCCO[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825604687 608435584 /nfs/dbraw/zinc/43/55/84/608435584.db2.gz JSOULSMTIJFQQD-JTQLQIEISA-N -1 1 305.342 0.289 20 0 DCADMM CCOCCO[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825604687 608435586 /nfs/dbraw/zinc/43/55/86/608435586.db2.gz JSOULSMTIJFQQD-JTQLQIEISA-N -1 1 305.342 0.289 20 0 DCADMM Cc1cc(NC(=O)CN(C)Cc2ccc(-c3nnn[n-]3)o2)no1 ZINC000826269247 608507294 /nfs/dbraw/zinc/50/72/94/608507294.db2.gz GAYYPZQTAKXQFP-UHFFFAOYSA-N -1 1 317.309 0.827 20 0 DCADMM Cc1cc(NC(=O)CN(C)Cc2ccc(-c3nn[n-]n3)o2)no1 ZINC000826269247 608507297 /nfs/dbraw/zinc/50/72/97/608507297.db2.gz GAYYPZQTAKXQFP-UHFFFAOYSA-N -1 1 317.309 0.827 20 0 DCADMM CCC/C=C\C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825258412 608559277 /nfs/dbraw/zinc/55/92/77/608559277.db2.gz CKYZOESOWVMPJK-YVMONPNESA-N -1 1 318.385 0.919 20 0 DCADMM CCC/C=C\C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825258412 608559279 /nfs/dbraw/zinc/55/92/79/608559279.db2.gz CKYZOESOWVMPJK-YVMONPNESA-N -1 1 318.385 0.919 20 0 DCADMM Cn1c2ccccc2nc(Cn2ccnc2-c2nnn[n-]2)c1=O ZINC000826354416 608894972 /nfs/dbraw/zinc/89/49/72/608894972.db2.gz BYEVZIZHSDHIGI-UHFFFAOYSA-N -1 1 308.305 0.358 20 0 DCADMM Cn1c2ccccc2nc(Cn2ccnc2-c2nn[n-]n2)c1=O ZINC000826354416 608894974 /nfs/dbraw/zinc/89/49/74/608894974.db2.gz BYEVZIZHSDHIGI-UHFFFAOYSA-N -1 1 308.305 0.358 20 0 DCADMM CCC[C@H]1C[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)CCO1 ZINC000825253505 609150084 /nfs/dbraw/zinc/15/00/84/609150084.db2.gz NECXJFOMQFYRHC-BDAKNGLRSA-N -1 1 305.342 0.881 20 0 DCADMM O=C(N[C@H](CO)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826427371 609397995 /nfs/dbraw/zinc/39/79/95/609397995.db2.gz NQDZIRCZTMDBOI-CYBMUJFWSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(N[C@H](CO)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826427371 609397997 /nfs/dbraw/zinc/39/79/97/609397997.db2.gz NQDZIRCZTMDBOI-CYBMUJFWSA-N -1 1 310.317 0.725 20 0 DCADMM CN(C)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000825883077 609425991 /nfs/dbraw/zinc/42/59/91/609425991.db2.gz BLUQKMPZBXHXKE-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CN(C)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000825883077 609425994 /nfs/dbraw/zinc/42/59/94/609425994.db2.gz BLUQKMPZBXHXKE-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM C[C@H]1CC[C@]2(CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)C1 ZINC000824919071 609433724 /nfs/dbraw/zinc/43/37/24/609433724.db2.gz RRCYOARKGNQTHD-HZMBPMFUSA-N -1 1 316.369 0.497 20 0 DCADMM O=S(=O)(Cc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC000826486806 609511529 /nfs/dbraw/zinc/51/15/29/609511529.db2.gz RRKQDHJSRXOPDB-JTQLQIEISA-N -1 1 309.351 0.356 20 0 DCADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC000826486806 609511531 /nfs/dbraw/zinc/51/15/31/609511531.db2.gz RRKQDHJSRXOPDB-JTQLQIEISA-N -1 1 309.351 0.356 20 0 DCADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCc1csc(C)n1 ZINC000866450599 667376435 /nfs/dbraw/zinc/37/64/35/667376435.db2.gz IYGNBLRUUOFROB-KRWDZBQOSA-N -1 1 311.454 0.946 20 0 DCADMM CN1CCC[C@H]1C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000909386686 660507453 /nfs/dbraw/zinc/50/74/53/660507453.db2.gz FUQQYVPWLXXZLE-STQMWFEESA-N -1 1 310.325 0.868 20 0 DCADMM O=C(NC[C@@H]1[C@H]2CN(CCF)C[C@H]21)c1ccc2oc(=O)nc-2[n-]1 ZINC000978944924 660634685 /nfs/dbraw/zinc/63/46/85/660634685.db2.gz ZVBOGTVTMFXQLC-OWUUHHOZSA-N -1 1 320.324 0.806 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC2(C)C)nc1=O ZINC001027831547 660807361 /nfs/dbraw/zinc/80/73/61/660807361.db2.gz RGRBYPDGBBNXPW-MNOVXSKESA-N -1 1 307.398 0.235 20 0 DCADMM O=C(CN1CCCN(C(=O)c2ncccc2[O-])CC1)NC1CC1 ZINC000981026897 661067322 /nfs/dbraw/zinc/06/73/22/661067322.db2.gz PXDJYZFKYUOUAG-UHFFFAOYSA-N -1 1 318.377 0.214 20 0 DCADMM C[C@H](C(=O)N(C)C)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000981027189 661067485 /nfs/dbraw/zinc/06/74/85/661067485.db2.gz ULBCNDOLNZYRRJ-GFCCVEGCSA-N -1 1 320.393 0.412 20 0 DCADMM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)CCn1cccn1 ZINC000921377124 665298470 /nfs/dbraw/zinc/29/84/70/665298470.db2.gz LTAPWUYBQQNVFU-JTQLQIEISA-N -1 1 321.424 0.097 20 0 DCADMM C[C@@H](CF)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000885409833 667673990 /nfs/dbraw/zinc/67/39/90/667673990.db2.gz ZWQPBRJNYWWRRL-YFKPBYRVSA-N -1 1 300.153 0.819 20 0 DCADMM CC[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000885383816 667672397 /nfs/dbraw/zinc/67/23/97/667672397.db2.gz UYQHRTHPUJDODV-HTQZYQBOSA-N -1 1 322.818 0.655 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)C3CC4(CC4)C3)CC2)nc1=O ZINC000981928851 661246691 /nfs/dbraw/zinc/24/66/91/661246691.db2.gz GXPVIZLIFVTEFR-UHFFFAOYSA-N -1 1 319.409 0.333 20 0 DCADMM CN(C(=O)c1ccns1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000954441999 661257322 /nfs/dbraw/zinc/25/73/22/661257322.db2.gz JLJOMISWCRPHFY-UHFFFAOYSA-N -1 1 318.358 0.840 20 0 DCADMM Cc1cnc(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)c([O-])c1 ZINC000924234271 661270387 /nfs/dbraw/zinc/27/03/87/661270387.db2.gz ZKFYFKQEGKTHIV-UHFFFAOYSA-N -1 1 313.379 0.249 20 0 DCADMM Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)C2(C)CC=CC2)nc1=O ZINC001032604925 665409010 /nfs/dbraw/zinc/40/90/10/665409010.db2.gz XYJNYGWDSWDTAN-RYUDHWBXSA-N -1 1 317.393 0.250 20 0 DCADMM Cc1conc1C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000938785191 665427988 /nfs/dbraw/zinc/42/79/88/665427988.db2.gz GYNXDIAKHJYXIU-JTQLQIEISA-N -1 1 316.317 0.728 20 0 DCADMM CC(C)n1c(CCNC(=O)CN2CCCC2=O)n[n-]c1=S ZINC000067075128 657583179 /nfs/dbraw/zinc/58/31/79/657583179.db2.gz MSLYIZQZDKNPNU-UHFFFAOYSA-N -1 1 311.411 0.803 20 0 DCADMM Cc1ccc(CC(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cc1 ZINC000969237902 657617221 /nfs/dbraw/zinc/61/72/21/657617221.db2.gz QJNRYQNGUOBSRW-CYBMUJFWSA-N -1 1 315.377 0.752 20 0 DCADMM CN(C(=O)c1ncccc1[O-])C1CC(NCc2cnon2)C1 ZINC000998672292 665500693 /nfs/dbraw/zinc/50/06/93/665500693.db2.gz GSUCSUOQUKIUHQ-UHFFFAOYSA-N -1 1 303.322 0.563 20 0 DCADMM C[C@H](C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1)C1CCC1 ZINC000971767296 657655820 /nfs/dbraw/zinc/65/58/20/657655820.db2.gz HYCHJPFHKALPRK-AAEUAGOBSA-N -1 1 321.425 0.577 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001021350719 657659132 /nfs/dbraw/zinc/65/91/32/657659132.db2.gz XDPURSPFWGFABB-RIEIUKCASA-N -1 1 305.382 0.778 20 0 DCADMM O=C(C1=COCCC1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998723685 665511684 /nfs/dbraw/zinc/51/16/84/665511684.db2.gz SKOBKXRIVNNEIV-LLVKDONJSA-N -1 1 307.354 0.285 20 0 DCADMM CCn1cc(C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC000998761151 665521657 /nfs/dbraw/zinc/52/16/57/665521657.db2.gz TWISKBQOONDBOI-LLVKDONJSA-N -1 1 319.369 0.121 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]3[C@H](CCCN3C(=O)C3CC3)C2)nc1=O ZINC001021489762 657897021 /nfs/dbraw/zinc/89/70/21/657897021.db2.gz JGOSIEOJYROETG-CHWSQXEVSA-N -1 1 319.409 0.331 20 0 DCADMM CS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000075941005 665528135 /nfs/dbraw/zinc/52/81/35/665528135.db2.gz JRVQQZIAAZNWCB-UHFFFAOYSA-N -1 1 317.310 0.427 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2nncn2C)C1 ZINC000969541777 657968497 /nfs/dbraw/zinc/96/84/97/657968497.db2.gz BCVDIWAXSHQOHX-SNVBAGLBSA-N -1 1 316.365 0.166 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN([C@H](C)C(=O)N(C)C)C1 ZINC000969543378 657969416 /nfs/dbraw/zinc/96/94/16/657969416.db2.gz MXVVBWWYIBXTJX-GHMZBOCLSA-N -1 1 320.393 0.314 20 0 DCADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN([C@H]2CCCNC2=O)C1 ZINC000969544456 657971052 /nfs/dbraw/zinc/97/10/52/657971052.db2.gz XBQXLXHADMFAJK-PWSUYJOCSA-N -1 1 318.377 0.116 20 0 DCADMM O=C(NC[C@H]1CCCN(CCF)C1)c1c[n-]n2c1nccc2=O ZINC001023635770 658082934 /nfs/dbraw/zinc/08/29/34/658082934.db2.gz HDHBRUQCULDQDY-LLVKDONJSA-N -1 1 321.356 0.434 20 0 DCADMM O=S(=O)(N=S1(=O)CCCC1)[N-]CCc1cscn1 ZINC000866864817 658128729 /nfs/dbraw/zinc/12/87/29/658128729.db2.gz 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NC(=O)NC(=O)CN[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001574256578 1163677996 /nfs/dbraw/zinc/67/79/96/1163677996.db2.gz GMXOLYKLFNFCFN-ZDUSSCGKSA-N -1 1 315.329 0.620 20 0 DCADMM Nc1cn[nH]c1[C@@H]1CCN(C(=O)C2CCN(C(=O)[O-])CC2)C1 ZINC001574291387 1163684391 /nfs/dbraw/zinc/68/43/91/1163684391.db2.gz GUUOLWBWQJGIAT-SNVBAGLBSA-N -1 1 307.354 0.698 20 0 DCADMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC001574299497 1163689007 /nfs/dbraw/zinc/68/90/07/1163689007.db2.gz LSFZNQXKWJTAAS-XNRPHZJLSA-N -1 1 318.373 0.558 20 0 DCADMM O=C([O-])C[C@@H](NC(=O)Cc1n[nH]c(C2CC2)n1)c1ccncc1 ZINC001574357103 1163703976 /nfs/dbraw/zinc/70/39/76/1163703976.db2.gz NNNVPXUOEIQRLA-LLVKDONJSA-N -1 1 315.333 0.952 20 0 DCADMM O=C([O-])c1cc(NC(=O)c2cc(Br)n[nH]2)[nH]n1 ZINC001574412517 1163715806 /nfs/dbraw/zinc/71/58/06/1163715806.db2.gz DPPGDAXADMMTTA-UHFFFAOYSA-N -1 1 300.072 0.846 20 0 DCADMM C[C@H](C[C@H](C)NC(=O)C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574552030 1163731436 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C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C)CC1 ZINC001574793182 1163753307 /nfs/dbraw/zinc/75/33/07/1163753307.db2.gz XOKMZMZLUVPPIU-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C)CC1 ZINC001574793182 1163753314 /nfs/dbraw/zinc/75/33/14/1163753314.db2.gz XOKMZMZLUVPPIU-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)CCCF ZINC001574795447 1163753957 /nfs/dbraw/zinc/75/39/57/1163753957.db2.gz IIFRKGVVNIUJBR-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)CCCF ZINC001574795447 1163753961 /nfs/dbraw/zinc/75/39/61/1163753961.db2.gz IIFRKGVVNIUJBR-SECBINFHSA-N -1 1 322.348 0.347 20 0 DCADMM C[C@@H](C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574837522 1163767201 /nfs/dbraw/zinc/76/72/01/1163767201.db2.gz SBMRFPRWQYBVJR-DTWKUNHWSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574837522 1163767207 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C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001575492542 1164034449 /nfs/dbraw/zinc/03/44/49/1164034449.db2.gz YNHLWFIXVNFCPG-RKDXNWHRSA-N -1 1 321.341 0.123 20 0 DCADMM C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001575492542 1164034458 /nfs/dbraw/zinc/03/44/58/1164034458.db2.gz YNHLWFIXVNFCPG-RKDXNWHRSA-N -1 1 321.341 0.123 20 0 DCADMM CC1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC[S@]1=O ZINC001575694137 1164107576 /nfs/dbraw/zinc/10/75/76/1164107576.db2.gz UZMOQVXLMODVKH-JOCHJYFZSA-N -1 1 323.378 0.833 20 0 DCADMM CC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC[S@]1=O ZINC001575694137 1164107580 /nfs/dbraw/zinc/10/75/80/1164107580.db2.gz UZMOQVXLMODVKH-JOCHJYFZSA-N -1 1 323.378 0.833 20 0 DCADMM CC1CC(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575943995 1164190036 /nfs/dbraw/zinc/19/00/36/1164190036.db2.gz FBADFOPOYJNFCY-UHFFFAOYSA-N -1 1 316.369 0.573 20 0 DCADMM CC1CC(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575943995 1164190040 /nfs/dbraw/zinc/19/00/40/1164190040.db2.gz FBADFOPOYJNFCY-UHFFFAOYSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)CC1=O ZINC001576093344 1164238265 /nfs/dbraw/zinc/23/82/65/1164238265.db2.gz BQHMNBOXGFOIGB-QNSHHTMESA-N -1 1 316.321 0.199 20 0 DCADMM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)CC1=O ZINC001576093344 1164238271 /nfs/dbraw/zinc/23/82/71/1164238271.db2.gz BQHMNBOXGFOIGB-QNSHHTMESA-N -1 1 316.321 0.199 20 0 DCADMM C[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CCN1c1cnccn1 ZINC001576367333 1164316307 /nfs/dbraw/zinc/31/63/07/1164316307.db2.gz ZUGGGGUVZDZNSJ-NSHDSACASA-N -1 1 323.364 0.767 20 0 DCADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CCN1c1cnccn1 ZINC001576367333 1164316309 /nfs/dbraw/zinc/31/63/09/1164316309.db2.gz ZUGGGGUVZDZNSJ-NSHDSACASA-N -1 1 323.364 0.767 20 0 DCADMM CCC(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576409210 1164331244 /nfs/dbraw/zinc/33/12/44/1164331244.db2.gz AUIHBSVORQSIKD-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCC(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576409210 1164331246 /nfs/dbraw/zinc/33/12/46/1164331246.db2.gz AUIHBSVORQSIKD-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576417282 1164336635 /nfs/dbraw/zinc/33/66/35/1164336635.db2.gz ZAUANYRWNQITSO-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001576416875 1164336745 /nfs/dbraw/zinc/33/67/45/1164336745.db2.gz UKSRTOXQTSWVQN-QMMMGPOBSA-N -1 1 318.341 0.177 20 0 DCADMM CCC(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001576424744 1164339033 /nfs/dbraw/zinc/33/90/33/1164339033.db2.gz GAWXGTRCUXBWKX-AWEZNQCLSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001576424744 1164339040 /nfs/dbraw/zinc/33/90/40/1164339040.db2.gz GAWXGTRCUXBWKX-AWEZNQCLSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001576425010 1164339286 /nfs/dbraw/zinc/33/92/86/1164339286.db2.gz IXCDRAQJRMGFRX-CQSZACIVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001576425010 1164339290 /nfs/dbraw/zinc/33/92/90/1164339290.db2.gz IXCDRAQJRMGFRX-CQSZACIVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576441048 1164345380 /nfs/dbraw/zinc/34/53/80/1164345380.db2.gz PREXBFPVCWIDPX-NXEZZACHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576441048 1164345383 /nfs/dbraw/zinc/34/53/83/1164345383.db2.gz PREXBFPVCWIDPX-NXEZZACHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CC[C@@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576441239 1164345638 /nfs/dbraw/zinc/34/56/38/1164345638.db2.gz VPJHVKMSLGLWGP-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CC[C@@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576441239 1164345647 /nfs/dbraw/zinc/34/56/47/1164345647.db2.gz VPJHVKMSLGLWGP-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576445264 1164347383 /nfs/dbraw/zinc/34/73/83/1164347383.db2.gz QIBKKMWQBWSZBJ-UWVGGRQHSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576445264 1164347389 /nfs/dbraw/zinc/34/73/89/1164347389.db2.gz QIBKKMWQBWSZBJ-UWVGGRQHSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@](C)(CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)OC ZINC001576556547 1164389031 /nfs/dbraw/zinc/38/90/31/1164389031.db2.gz LUSYFNPHMYFOPG-CQSZACIVSA-N -1 1 320.353 0.821 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576561215 1164391057 /nfs/dbraw/zinc/39/10/57/1164391057.db2.gz FBNUQJRSYOSUHS-SECBINFHSA-N -1 1 318.385 0.882 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576561215 1164391064 /nfs/dbraw/zinc/39/10/64/1164391064.db2.gz FBNUQJRSYOSUHS-SECBINFHSA-N -1 1 318.385 0.882 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576606239 1164409894 /nfs/dbraw/zinc/40/98/94/1164409894.db2.gz QDYKMOHCOVAODD-WCBMZHEXSA-N -1 1 318.385 0.928 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576606239 1164409898 /nfs/dbraw/zinc/40/98/98/1164409898.db2.gz QDYKMOHCOVAODD-WCBMZHEXSA-N -1 1 318.385 0.928 20 0 DCADMM CC[C@H](CNC(=O)C(C)C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576767629 1164455241 /nfs/dbraw/zinc/45/52/41/1164455241.db2.gz WLVAYZRIAIKUKK-SNVBAGLBSA-N -1 1 318.385 0.928 20 0 DCADMM CC[C@H](CNC(=O)C(C)C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576767629 1164455245 /nfs/dbraw/zinc/45/52/45/1164455245.db2.gz WLVAYZRIAIKUKK-SNVBAGLBSA-N -1 1 318.385 0.928 20 0 DCADMM CC[C@@H](F)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576927800 1164538659 /nfs/dbraw/zinc/53/86/59/1164538659.db2.gz XMNRBEGZFNFALO-RKDXNWHRSA-N -1 1 322.348 0.086 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576951228 1164553113 /nfs/dbraw/zinc/55/31/13/1164553113.db2.gz HCZPZEAATFPUHS-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576951228 1164553118 /nfs/dbraw/zinc/55/31/18/1164553118.db2.gz HCZPZEAATFPUHS-RKDXNWHRSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576954876 1164555116 /nfs/dbraw/zinc/55/51/16/1164555116.db2.gz VRCJUBIPHYOIDH-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576954876 1164555121 /nfs/dbraw/zinc/55/51/21/1164555121.db2.gz VRCJUBIPHYOIDH-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576954904 1164555416 /nfs/dbraw/zinc/55/54/16/1164555416.db2.gz WDOJGZGWDOFLHG-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](F)C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576954904 1164555422 /nfs/dbraw/zinc/55/54/22/1164555422.db2.gz WDOJGZGWDOFLHG-DTWKUNHWSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576954877 1164556313 /nfs/dbraw/zinc/55/63/13/1164556313.db2.gz VRCJUBIPHYOIDH-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@H](F)C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576954877 1164556318 /nfs/dbraw/zinc/55/63/18/1164556318.db2.gz VRCJUBIPHYOIDH-IUCAKERBSA-N -1 1 322.348 0.712 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001577194725 1164629171 /nfs/dbraw/zinc/62/91/71/1164629171.db2.gz NSMLDXMJYGOZHB-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001577194725 1164629177 /nfs/dbraw/zinc/62/91/77/1164629177.db2.gz NSMLDXMJYGOZHB-VHSXEESVSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577190060 1164630041 /nfs/dbraw/zinc/63/00/41/1164630041.db2.gz COGSFEMXLVSNPO-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577190060 1164630045 /nfs/dbraw/zinc/63/00/45/1164630045.db2.gz COGSFEMXLVSNPO-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001577213359 1164635704 /nfs/dbraw/zinc/63/57/04/1164635704.db2.gz AQGSGVGAOBUYMQ-SECBINFHSA-N -1 1 304.358 0.043 20 0 DCADMM CCCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001577407210 1164686769 /nfs/dbraw/zinc/68/67/69/1164686769.db2.gz XRZMGTMRDPBNTB-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001577407210 1164686772 /nfs/dbraw/zinc/68/67/72/1164686772.db2.gz XRZMGTMRDPBNTB-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001577426147 1164689881 /nfs/dbraw/zinc/68/98/81/1164689881.db2.gz HYGXMQKUUNMUTM-AOOOYVTPSA-N -1 1 316.369 0.906 20 0 DCADMM CCCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001577426147 1164689884 /nfs/dbraw/zinc/68/98/84/1164689884.db2.gz HYGXMQKUUNMUTM-AOOOYVTPSA-N -1 1 316.369 0.906 20 0 DCADMM CCCC[C@@](C)(CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001577430796 1164690652 /nfs/dbraw/zinc/69/06/52/1164690652.db2.gz HPJVLSCOOVUSAA-ZDUSSCGKSA-N -1 1 322.373 0.663 20 0 DCADMM CCCC[C@@](C)(CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001577430796 1164690658 /nfs/dbraw/zinc/69/06/58/1164690658.db2.gz HPJVLSCOOVUSAA-ZDUSSCGKSA-N -1 1 322.373 0.663 20 0 DCADMM CCN(CCCNC(=O)c1ncccc1[O-])C(=O)c1cnon1 ZINC001577522553 1164713904 /nfs/dbraw/zinc/71/39/04/1164713904.db2.gz QQJJKXPMZHVAAR-UHFFFAOYSA-N -1 1 319.321 0.452 20 0 DCADMM CCCN(CCNC(=O)C(C)C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577581292 1164729374 /nfs/dbraw/zinc/72/93/74/1164729374.db2.gz BTBKPWDQEPXFBH-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCCN(CCNC(=O)C(C)C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577581292 1164729382 /nfs/dbraw/zinc/72/93/82/1164729382.db2.gz BTBKPWDQEPXFBH-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCCN(CCNC(=O)C1CC1)c1nccnc1-c1nnn[n-]1 ZINC001577591986 1164732631 /nfs/dbraw/zinc/73/26/31/1164732631.db2.gz XHFSHINYFUYOMO-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCCN(CCNC(=O)C1CC1)c1nccnc1-c1nn[n-]n1 ZINC001577591986 1164732637 /nfs/dbraw/zinc/73/26/37/1164732637.db2.gz XHFSHINYFUYOMO-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM O=C(N[C@@H](CO)c1c[nH]nn1)c1ccc2oc(=S)[n-]c2c1 ZINC001577971948 1164868679 /nfs/dbraw/zinc/86/86/79/1164868679.db2.gz JINPSRAAJUZWRX-VIFPVBQESA-N -1 1 305.319 0.698 20 0 DCADMM CCN(CCNC(=O)CCCF)c1cnc(-c2nnn[n-]2)cn1 ZINC001577976690 1164871444 /nfs/dbraw/zinc/87/14/44/1164871444.db2.gz XFKZXLIMIXFPHB-UHFFFAOYSA-N -1 1 322.348 0.349 20 0 DCADMM CCN(CCNC(=O)CCCF)c1cnc(-c2nn[n-]n2)cn1 ZINC001577976690 1164871449 /nfs/dbraw/zinc/87/14/49/1164871449.db2.gz XFKZXLIMIXFPHB-UHFFFAOYSA-N -1 1 322.348 0.349 20 0 DCADMM CCOC(=O)CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001578245489 1164962949 /nfs/dbraw/zinc/96/29/49/1164962949.db2.gz SRXVUSQXKGEIHR-UHFFFAOYSA-N -1 1 314.305 0.641 20 0 DCADMM CCOC(=O)C[C@@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001578245325 1164963681 /nfs/dbraw/zinc/96/36/81/1164963681.db2.gz MOZLEPWPVNVWLE-MRVPVSSYSA-N -1 1 319.325 0.725 20 0 DCADMM CCOC(=O)C[C@@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001578245325 1164963686 /nfs/dbraw/zinc/96/36/86/1164963686.db2.gz MOZLEPWPVNVWLE-MRVPVSSYSA-N -1 1 319.325 0.725 20 0 DCADMM CCOC(=O)c1cc(CNc2nccnc2-c2nnn[n-]2)on1 ZINC001578252190 1164965488 /nfs/dbraw/zinc/96/54/88/1164965488.db2.gz NUCUCLDUVQICAL-UHFFFAOYSA-N -1 1 316.281 0.434 20 0 DCADMM CCOC(=O)c1cc(CNc2nccnc2-c2nn[n-]n2)on1 ZINC001578252190 1164965492 /nfs/dbraw/zinc/96/54/92/1164965492.db2.gz NUCUCLDUVQICAL-UHFFFAOYSA-N -1 1 316.281 0.434 20 0 DCADMM CCO[C@@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)C1CCOCC1 ZINC001578274886 1164967027 /nfs/dbraw/zinc/96/70/27/1164967027.db2.gz WGFIWRYVBKAMQL-LLVKDONJSA-N -1 1 321.341 0.360 20 0 DCADMM CCOc1c(F)cccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001578384149 1164993664 /nfs/dbraw/zinc/99/36/64/1164993664.db2.gz BYTFVDIRGSJFDW-UHFFFAOYSA-N -1 1 317.284 0.872 20 0 DCADMM CC[C@@H]1CC[C@H](C)N(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001578427893 1165012946 /nfs/dbraw/zinc/01/29/46/1165012946.db2.gz PXCHYEHMIWFQAT-DTWKUNHWSA-N -1 1 319.369 0.269 20 0 DCADMM CCn1cncc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1=O ZINC001578801599 1165119806 /nfs/dbraw/zinc/11/98/06/1165119806.db2.gz POSNXYVIUOHSEA-UHFFFAOYSA-N -1 1 317.334 0.757 20 0 DCADMM CN(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)C1(C)CC1 ZINC001579152523 1165224676 /nfs/dbraw/zinc/22/46/76/1165224676.db2.gz STXCTCJNKQSRBU-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)C1(C)CC1 ZINC001579152523 1165224686 /nfs/dbraw/zinc/22/46/86/1165224686.db2.gz STXCTCJNKQSRBU-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)c1ccc[nH]1 ZINC001579210992 1165239156 /nfs/dbraw/zinc/23/91/56/1165239156.db2.gz BVOWPXWEVWAKIX-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)c1ccc[nH]1 ZINC001579210992 1165239161 /nfs/dbraw/zinc/23/91/61/1165239161.db2.gz BVOWPXWEVWAKIX-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)C1=CCCC1 ZINC001579217477 1165240230 /nfs/dbraw/zinc/24/02/30/1165240230.db2.gz LCLXTZQIUUAIME-UHFFFAOYSA-N -1 1 314.353 0.637 20 0 DCADMM CN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)C1=CCCC1 ZINC001579217477 1165240236 /nfs/dbraw/zinc/24/02/36/1165240236.db2.gz LCLXTZQIUUAIME-UHFFFAOYSA-N -1 1 314.353 0.637 20 0 DCADMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)CC1(C)CC1 ZINC001579219173 1165243198 /nfs/dbraw/zinc/24/31/98/1165243198.db2.gz PTFKSHCBLOHNAX-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)CC1(C)CC1 ZINC001579219173 1165243204 /nfs/dbraw/zinc/24/32/04/1165243204.db2.gz PTFKSHCBLOHNAX-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CN1C(=O)COc2cc(Nc3cncc(-c4nnn[n-]4)n3)ccc21 ZINC001579308120 1165268195 /nfs/dbraw/zinc/26/81/95/1165268195.db2.gz BQTUETUJRFPZTC-UHFFFAOYSA-N -1 1 324.304 0.756 20 0 DCADMM CN1C(=O)COc2cc(Nc3cncc(-c4nn[n-]n4)n3)ccc21 ZINC001579308120 1165268204 /nfs/dbraw/zinc/26/82/04/1165268204.db2.gz BQTUETUJRFPZTC-UHFFFAOYSA-N -1 1 324.304 0.756 20 0 DCADMM CNC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC001579402809 1165298716 /nfs/dbraw/zinc/29/87/16/1165298716.db2.gz QKKYKMXNTMREET-JTQLQIEISA-N -1 1 319.344 0.509 20 0 DCADMM CNC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)C1 ZINC001579402809 1165298732 /nfs/dbraw/zinc/29/87/32/1165298732.db2.gz QKKYKMXNTMREET-JTQLQIEISA-N -1 1 319.344 0.509 20 0 DCADMM CNC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001579401568 1165299417 /nfs/dbraw/zinc/29/94/17/1165299417.db2.gz RWOQQSCDQRIJHQ-QMMMGPOBSA-N -1 1 322.398 0.529 20 0 DCADMM COC(=O)c1cncc(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001579491777 1165330001 /nfs/dbraw/zinc/33/00/01/1165330001.db2.gz RCWBFFDPZHAMOW-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1cncc(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001579491777 1165330006 /nfs/dbraw/zinc/33/00/06/1165330006.db2.gz RCWBFFDPZHAMOW-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COCC1(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CC1 ZINC001579746839 1165385726 /nfs/dbraw/zinc/38/57/26/1165385726.db2.gz IMDZWDUNLCZLRY-UHFFFAOYSA-N -1 1 308.729 0.824 20 0 DCADMM COCCC(=O)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001579749677 1165387360 /nfs/dbraw/zinc/38/73/60/1165387360.db2.gz CDMJGWRMGXHBSD-UHFFFAOYSA-N -1 1 313.321 0.731 20 0 DCADMM COc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)ncn1 ZINC001579932352 1165440995 /nfs/dbraw/zinc/44/09/95/1165440995.db2.gz DVERODXSXVVJOX-UHFFFAOYSA-N -1 1 312.293 0.242 20 0 DCADMM COc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)ncn1 ZINC001579932352 1165441002 /nfs/dbraw/zinc/44/10/02/1165441002.db2.gz DVERODXSXVVJOX-UHFFFAOYSA-N -1 1 312.293 0.242 20 0 DCADMM COc1cccc([C@H](O)CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001580063141 1165489359 /nfs/dbraw/zinc/48/93/59/1165489359.db2.gz CPRFAZIUMXQVOY-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM COc1cccc([C@H](O)CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001580063141 1165489365 /nfs/dbraw/zinc/48/93/65/1165489365.db2.gz CPRFAZIUMXQVOY-GFCCVEGCSA-N -1 1 313.321 0.811 20 0 DCADMM COc1nc(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)co1 ZINC001580122270 1165510198 /nfs/dbraw/zinc/51/01/98/1165510198.db2.gz UGCOFLREKRQWNO-UHFFFAOYSA-N -1 1 317.265 0.519 20 0 DCADMM CS(=O)(=O)c1ccc(Oc2nnccc2-c2nnn[n-]2)cc1 ZINC001580171708 1165526008 /nfs/dbraw/zinc/52/60/08/1165526008.db2.gz YEHNOHJXNGLRFE-UHFFFAOYSA-N -1 1 318.318 0.853 20 0 DCADMM CS(=O)(=O)c1ccc(Oc2nnccc2-c2nn[n-]n2)cc1 ZINC001580171708 1165526016 /nfs/dbraw/zinc/52/60/16/1165526016.db2.gz YEHNOHJXNGLRFE-UHFFFAOYSA-N -1 1 318.318 0.853 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC001580597816 1165649232 /nfs/dbraw/zinc/64/92/32/1165649232.db2.gz OAQTVMMHTDENOF-XVKPBYJWSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@@]1(C)CO ZINC001580597830 1165649447 /nfs/dbraw/zinc/64/94/47/1165649447.db2.gz MLIAOLTULDWVEN-AWEZNQCLSA-N -1 1 318.337 0.263 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCS[C@H](C)C1 ZINC001580599813 1165650937 /nfs/dbraw/zinc/65/09/37/1165650937.db2.gz GTHXRHNRTFPSBH-MRVPVSSYSA-N -1 1 320.378 0.853 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1(CO)CCCC1 ZINC001580603784 1165653026 /nfs/dbraw/zinc/65/30/26/1165653026.db2.gz XHJZTGGZUIIINX-UHFFFAOYSA-N -1 1 318.337 0.311 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1COC(C)(C)C1 ZINC001580604944 1165654050 /nfs/dbraw/zinc/65/40/50/1165654050.db2.gz VGIDLUJGEXZVPN-MRVPVSSYSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCn1cccc1 ZINC001580605790 1165654070 /nfs/dbraw/zinc/65/40/70/1165654070.db2.gz JAGLNJFRXUZXQI-UHFFFAOYSA-N -1 1 313.321 0.507 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2Cc3ccccc3NC2=O)n1 ZINC001580719313 1165697623 /nfs/dbraw/zinc/69/76/23/1165697623.db2.gz ZTOMOUWIUSWDTN-GFCCVEGCSA-N -1 1 322.332 0.940 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2Cc3ccccc3NC2=O)n1 ZINC001580719313 1165697632 /nfs/dbraw/zinc/69/76/32/1165697632.db2.gz ZTOMOUWIUSWDTN-GFCCVEGCSA-N -1 1 322.332 0.940 20 0 DCADMM Cc1cc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)ccn1 ZINC001580983326 1165767782 /nfs/dbraw/zinc/76/77/82/1165767782.db2.gz CVAUCOSLKSGXQH-UHFFFAOYSA-N -1 1 316.350 0.770 20 0 DCADMM Cc1cc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)ccn1 ZINC001580983326 1165767785 /nfs/dbraw/zinc/76/77/85/1165767785.db2.gz CVAUCOSLKSGXQH-UHFFFAOYSA-N -1 1 316.350 0.770 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2Cc3c[nH]nc3C[C@H](C)C2)n1 ZINC001581410937 1165823869 /nfs/dbraw/zinc/82/38/69/1165823869.db2.gz DUHGERVEVSTWSS-QMMMGPOBSA-N -1 1 311.353 0.887 20 0 DCADMM Cc1nc(NC[C@H]2CC[C@H](C(N)=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001581525967 1165839640 /nfs/dbraw/zinc/83/96/40/1165839640.db2.gz ZVXLIAYJOSWFRL-MGCOHNPYSA-N -1 1 316.369 0.669 20 0 DCADMM Cc1nc(NC[C@H]2CC[C@H](C(N)=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001581525967 1165839644 /nfs/dbraw/zinc/83/96/44/1165839644.db2.gz ZVXLIAYJOSWFRL-MGCOHNPYSA-N -1 1 316.369 0.669 20 0 DCADMM Cc1nccc(CNC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001581556452 1165842583 /nfs/dbraw/zinc/84/25/83/1165842583.db2.gz QTJMITQQKNTEGD-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1nccc(CNC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001581556452 1165842588 /nfs/dbraw/zinc/84/25/88/1165842588.db2.gz QTJMITQQKNTEGD-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ncc3ccccn32)c1-c1nnn[n-]1 ZINC001581594931 1165847583 /nfs/dbraw/zinc/84/75/83/1165847583.db2.gz KZPCZABBYGAGOS-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ncc3ccccn32)c1-c1nn[n-]n1 ZINC001581594931 1165847597 /nfs/dbraw/zinc/84/75/97/1165847597.db2.gz KZPCZABBYGAGOS-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1nnc(CCC(=O)NCc2nc(-c3nnn[n-]3)cs2)o1 ZINC001581609354 1165850699 /nfs/dbraw/zinc/85/06/99/1165850699.db2.gz HNKDZZTXAPRGNC-UHFFFAOYSA-N -1 1 320.338 0.264 20 0 DCADMM Cc1nnc(CCC(=O)NCc2nc(-c3nn[n-]n3)cs2)o1 ZINC001581609354 1165850708 /nfs/dbraw/zinc/85/07/08/1165850708.db2.gz HNKDZZTXAPRGNC-UHFFFAOYSA-N -1 1 320.338 0.264 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](c2ncon2)C1 ZINC001581726534 1165861529 /nfs/dbraw/zinc/86/15/29/1165861529.db2.gz HGKRTQQDFZXVDK-QMMMGPOBSA-N -1 1 315.293 0.781 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](c2ncon2)C1 ZINC001581726534 1165861531 /nfs/dbraw/zinc/86/15/31/1165861531.db2.gz HGKRTQQDFZXVDK-QMMMGPOBSA-N -1 1 315.293 0.781 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc[nH]c1=O ZINC001581727145 1165861766 /nfs/dbraw/zinc/86/17/66/1165861766.db2.gz KWBQOBJJNHUVDJ-UHFFFAOYSA-N -1 1 300.278 0.799 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc[nH]c1=O ZINC001581727145 1165861780 /nfs/dbraw/zinc/86/17/80/1165861780.db2.gz KWBQOBJJNHUVDJ-UHFFFAOYSA-N -1 1 300.278 0.799 20 0 DCADMM CC1SC(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)=NC1=O ZINC001581741367 1165864860 /nfs/dbraw/zinc/86/48/60/1165864860.db2.gz ZQPGMRVZQGXRFK-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM CC1SC(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)=NC1=O ZINC001581741367 1165864863 /nfs/dbraw/zinc/86/48/63/1165864863.db2.gz ZQPGMRVZQGXRFK-UHFFFAOYSA-N -1 1 317.334 0.662 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CSc2nncs2)n1 ZINC001581753759 1165869001 /nfs/dbraw/zinc/86/90/01/1165869001.db2.gz RINWQBYKBGCDFT-UHFFFAOYSA-N -1 1 323.367 0.183 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CSc2nncs2)n1 ZINC001581753759 1165869007 /nfs/dbraw/zinc/86/90/07/1165869007.db2.gz RINWQBYKBGCDFT-UHFFFAOYSA-N -1 1 323.367 0.183 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnn(C)c2Cl)n1 ZINC001581754826 1165871118 /nfs/dbraw/zinc/87/11/18/1165871118.db2.gz NZWVUGSLAOUVFH-UHFFFAOYSA-N -1 1 307.705 0.239 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnn(C)c2Cl)n1 ZINC001581754826 1165871123 /nfs/dbraw/zinc/87/11/23/1165871123.db2.gz NZWVUGSLAOUVFH-UHFFFAOYSA-N -1 1 307.705 0.239 20 0 DCADMM Cn1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C2CC2)n1 ZINC001581762404 1165871343 /nfs/dbraw/zinc/87/13/43/1165871343.db2.gz ZLVQGDZCKJKYSL-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C2CC2)n1 ZINC001581762404 1165871351 /nfs/dbraw/zinc/87/13/51/1165871351.db2.gz ZLVQGDZCKJKYSL-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1ccc(CCNC(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001581790179 1165875807 /nfs/dbraw/zinc/87/58/07/1165875807.db2.gz AOHZFCSCBRQKBN-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1ccc(CCNC(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001581790179 1165875811 /nfs/dbraw/zinc/87/58/11/1165875811.db2.gz AOHZFCSCBRQKBN-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)nc1=O ZINC001581791461 1165878415 /nfs/dbraw/zinc/87/84/15/1165878415.db2.gz IQOSLWVAUWELMH-UHFFFAOYSA-N -1 1 303.307 0.108 20 0 DCADMM Cn1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)nc1=O ZINC001581791461 1165878421 /nfs/dbraw/zinc/87/84/21/1165878421.db2.gz IQOSLWVAUWELMH-UHFFFAOYSA-N -1 1 303.307 0.108 20 0 DCADMM Cn1cnnc1[C@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001581819124 1165882000 /nfs/dbraw/zinc/88/20/00/1165882000.db2.gz ORNOJUWXSYGDBX-QMMMGPOBSA-N -1 1 314.309 0.218 20 0 DCADMM Cn1cnnc1[C@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001581819124 1165882004 /nfs/dbraw/zinc/88/20/04/1165882004.db2.gz ORNOJUWXSYGDBX-QMMMGPOBSA-N -1 1 314.309 0.218 20 0 DCADMM Cn1ncc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1C1CC1 ZINC001581831130 1165884458 /nfs/dbraw/zinc/88/44/58/1165884458.db2.gz JNVXWRZXZUBZJC-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1ncc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1C1CC1 ZINC001581831130 1165884464 /nfs/dbraw/zinc/88/44/64/1165884464.db2.gz JNVXWRZXZUBZJC-UHFFFAOYSA-N -1 1 324.348 0.803 20 0 DCADMM FC(F)(F)c1cnc(CNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001581850903 1165888121 /nfs/dbraw/zinc/88/81/21/1165888121.db2.gz BEFDGMQLBVEFIO-UHFFFAOYSA-N -1 1 323.242 0.500 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@H]1Cc2ccccc2O1 ZINC001581908972 1165908399 /nfs/dbraw/zinc/90/83/99/1165908399.db2.gz KJLZJSHXFLGLJV-SECBINFHSA-N -1 1 311.305 0.679 20 0 DCADMM O=C(CC1CC1)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001581968219 1165926185 /nfs/dbraw/zinc/92/61/85/1165926185.db2.gz UXVNGFQUQVNWFN-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(CC1CC1)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001581968219 1165926188 /nfs/dbraw/zinc/92/61/88/1165926188.db2.gz UXVNGFQUQVNWFN-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(CSc1nncs1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582133812 1165963878 /nfs/dbraw/zinc/96/38/78/1165963878.db2.gz YNXAYULMPYSYPD-UHFFFAOYSA-N -1 1 320.363 0.844 20 0 DCADMM O=C(CSc1nncs1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582133812 1165963884 /nfs/dbraw/zinc/96/38/84/1165963884.db2.gz YNXAYULMPYSYPD-UHFFFAOYSA-N -1 1 320.363 0.844 20 0 DCADMM O=C(CSCc1ccccn1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582133048 1165964627 /nfs/dbraw/zinc/96/46/27/1165964627.db2.gz OILBMMORJAYJBY-UHFFFAOYSA-N -1 1 316.350 0.857 20 0 DCADMM O=C(CSCc1ccccn1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582133048 1165964642 /nfs/dbraw/zinc/96/46/42/1165964642.db2.gz OILBMMORJAYJBY-UHFFFAOYSA-N -1 1 316.350 0.857 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCc1ccns1 ZINC001582137626 1165965831 /nfs/dbraw/zinc/96/58/31/1165965831.db2.gz FAVXJEHSODDINI-UHFFFAOYSA-N -1 1 315.362 0.620 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCc1ccns1 ZINC001582137626 1165965836 /nfs/dbraw/zinc/96/58/36/1165965836.db2.gz FAVXJEHSODDINI-UHFFFAOYSA-N -1 1 315.362 0.620 20 0 DCADMM O=C(NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001582448384 1166021383 /nfs/dbraw/zinc/02/13/83/1166021383.db2.gz IPUZNTWXZDTFEY-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001582448384 1166021389 /nfs/dbraw/zinc/02/13/89/1166021389.db2.gz IPUZNTWXZDTFEY-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001582629348 1166055187 /nfs/dbraw/zinc/05/51/87/1166055187.db2.gz JWHIFFOSRYKBOS-SOCHQFKDSA-N -1 1 315.337 0.831 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2c(cc1O)OCO2 ZINC001582629791 1166055473 /nfs/dbraw/zinc/05/54/73/1166055473.db2.gz AWSXUTVIQGAQEW-UHFFFAOYSA-N -1 1 315.249 0.276 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCc2nccnc2C1 ZINC001582647853 1166057950 /nfs/dbraw/zinc/05/79/50/1166057950.db2.gz GKBNLRJJTUVNQC-UHFFFAOYSA-N -1 1 323.320 0.642 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCc2nccnc2C1 ZINC001582647853 1166057957 /nfs/dbraw/zinc/05/79/57/1166057957.db2.gz GKBNLRJJTUVNQC-UHFFFAOYSA-N -1 1 323.320 0.642 20 0 DCADMM O=C(Nc1cncnc1-n1cccn1)c1ccc(-c2nnn[n-]2)o1 ZINC001582651112 1166060922 /nfs/dbraw/zinc/06/09/22/1166060922.db2.gz WAOZZVOQKNLDCV-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C(Nc1cncnc1-n1cccn1)c1ccc(-c2nn[n-]n2)o1 ZINC001582651112 1166060933 /nfs/dbraw/zinc/06/09/33/1166060933.db2.gz WAOZZVOQKNLDCV-UHFFFAOYSA-N -1 1 323.276 0.688 20 0 DCADMM O=C1NCC[C@@H]1CCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001582785604 1166080605 /nfs/dbraw/zinc/08/06/05/1166080605.db2.gz NVLKSAAIKGPZPM-SECBINFHSA-N -1 1 314.349 0.043 20 0 DCADMM O=CN1CCC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001582791184 1166082233 /nfs/dbraw/zinc/08/22/33/1166082233.db2.gz VFXPTOCEQVTLBB-MRVPVSSYSA-N -1 1 316.325 0.027 20 0 DCADMM O=S(=O)(NCc1cnoc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC001582797706 1166084955 /nfs/dbraw/zinc/08/49/55/1166084955.db2.gz UDQPTWRLRAPZHB-UHFFFAOYSA-N -1 1 324.297 0.472 20 0 DCADMM O=c1c(-c2nn[n-]n2)cc2c(n1CCC1OCCO1)CCC2 ZINC001582806194 1166085691 /nfs/dbraw/zinc/08/56/91/1166085691.db2.gz HATJUCJNQJBYQH-UHFFFAOYSA-N -1 1 303.322 0.280 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cc(F)ncc3C)nc2n1 ZINC001584141937 1166311830 /nfs/dbraw/zinc/31/18/30/1166311830.db2.gz MBFUGJYVCAFEQT-UHFFFAOYSA-N -1 1 302.269 0.821 20 0 DCADMM Cn1ccnc1C(NC(=O)c1ccc([O-])cn1)c1nccn1C ZINC001584906231 1166382691 /nfs/dbraw/zinc/38/26/91/1166382691.db2.gz XUOMCBKIDRJHAT-UHFFFAOYSA-N -1 1 312.333 0.774 20 0 DCADMM Cc1cnc2c(C(=O)N3CCC(c4nn[n-]n4)CC3)cnn2c1 ZINC001587874621 1166513414 /nfs/dbraw/zinc/51/34/14/1166513414.db2.gz IOLZLJMFKHNHSA-UHFFFAOYSA-N -1 1 312.337 0.571 20 0 DCADMM C=CC(=O)Nc1cccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001588468808 1166558010 /nfs/dbraw/zinc/55/80/10/1166558010.db2.gz XLHMLEKERJZLGP-UHFFFAOYSA-N -1 1 324.304 0.458 20 0 DCADMM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC001588631794 1166573383 /nfs/dbraw/zinc/57/33/83/1166573383.db2.gz PNULLYIPXJLUFE-NSHDSACASA-N -1 1 309.370 0.196 20 0 DCADMM CC(=O)CSCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001588796747 1166588688 /nfs/dbraw/zinc/58/86/88/1166588688.db2.gz DPSKUYGQTQPFAC-UHFFFAOYSA-N -1 1 306.351 0.200 20 0 DCADMM CC(=O)CSCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001588796747 1166588696 /nfs/dbraw/zinc/58/86/96/1166588696.db2.gz DPSKUYGQTQPFAC-UHFFFAOYSA-N -1 1 306.351 0.200 20 0 DCADMM CC(=O)CN(C(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001588797146 1166591585 /nfs/dbraw/zinc/59/15/85/1166591585.db2.gz ZONJLUKTRIGPGS-UHFFFAOYSA-N -1 1 313.339 0.448 20 0 DCADMM CC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588819028 1166597564 /nfs/dbraw/zinc/59/75/64/1166597564.db2.gz REJZDIJATXIJPL-JTQLQIEISA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)NC1CCN(C(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001588842109 1166605630 /nfs/dbraw/zinc/60/56/30/1166605630.db2.gz VUJDCGIPTINFBU-UHFFFAOYSA-N -1 1 320.378 0.669 20 0 DCADMM CC(=O)NC1CCN(C(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001588842109 1166605638 /nfs/dbraw/zinc/60/56/38/1166605638.db2.gz VUJDCGIPTINFBU-UHFFFAOYSA-N -1 1 320.378 0.669 20 0 DCADMM CC(=O)N[C@H](CC(C)C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588871938 1166614905 /nfs/dbraw/zinc/61/49/05/1166614905.db2.gz HMEZPBLAXVGHJP-LLVKDONJSA-N -1 1 317.353 0.751 20 0 DCADMM CC(=O)N[C@H](CC(C)C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588871938 1166614910 /nfs/dbraw/zinc/61/49/10/1166614910.db2.gz HMEZPBLAXVGHJP-LLVKDONJSA-N -1 1 317.353 0.751 20 0 DCADMM CC(=O)c1ccc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)cc1 ZINC001588915139 1166617234 /nfs/dbraw/zinc/61/72/34/1166617234.db2.gz OIHRGJOLMSXKQU-UHFFFAOYSA-N -1 1 312.289 0.380 20 0 DCADMM C[C@H](C(=O)NCC(F)(F)C(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588978598 1166623998 /nfs/dbraw/zinc/62/39/98/1166623998.db2.gz GXPZQGMMYNXVOP-SCSAIBSYSA-N -1 1 322.226 0.036 20 0 DCADMM C[C@@H](C(=O)OC[C@@H]1CCC(C)(C)O1)n1cnc(-c2nn[n-]n2)n1 ZINC001589025803 1166628311 /nfs/dbraw/zinc/62/83/11/1166628311.db2.gz FAPGYFVSXNIBLM-IUCAKERBSA-N -1 1 321.341 0.520 20 0 DCADMM C[C@H](C(=O)Nc1cc(F)ccc1F)n1cnc(-c2nn[n-]n2)n1 ZINC001589012325 1166629068 /nfs/dbraw/zinc/62/90/68/1166629068.db2.gz VPRQMLQTPGABHP-ZCFIWIBFSA-N -1 1 320.263 0.936 20 0 DCADMM C[C@@H](C(=O)OC[C@]1(C)CCCO1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028632 1166630382 /nfs/dbraw/zinc/63/03/82/1166630382.db2.gz XCVLIGGROOGOFD-UFBFGSQYSA-N -1 1 307.314 0.132 20 0 DCADMM CC(C)(C(=O)n1ncc(-c2nn[n-]n2)c1N)c1cccc(O)c1 ZINC001589064867 1166632461 /nfs/dbraw/zinc/63/24/61/1166632461.db2.gz VPKCYEUQICBJKI-UHFFFAOYSA-N -1 1 313.321 0.969 20 0 DCADMM CC(C)(CNc1cccnc1-c1nnn[n-]1)CS(C)(=O)=O ZINC001589292362 1166644617 /nfs/dbraw/zinc/64/46/17/1166644617.db2.gz AELKZKPHXFLIQS-UHFFFAOYSA-N -1 1 310.383 0.744 20 0 DCADMM CC(C)(CNc1cccnc1-c1nn[n-]n1)CS(C)(=O)=O ZINC001589292362 1166644622 /nfs/dbraw/zinc/64/46/22/1166644622.db2.gz AELKZKPHXFLIQS-UHFFFAOYSA-N -1 1 310.383 0.744 20 0 DCADMM CC(C)=CC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001589354107 1166652612 /nfs/dbraw/zinc/65/26/12/1166652612.db2.gz GKLJUNROZMAHQG-UHFFFAOYSA-N -1 1 316.369 0.518 20 0 DCADMM CC(C)=CC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001589354107 1166652616 /nfs/dbraw/zinc/65/26/16/1166652616.db2.gz GKLJUNROZMAHQG-UHFFFAOYSA-N -1 1 316.369 0.518 20 0 DCADMM CC(C)[C@@H](C)N(C)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001589437830 1166658803 /nfs/dbraw/zinc/65/88/03/1166658803.db2.gz ZTJNHTSMVVLNSM-SECBINFHSA-N -1 1 310.383 0.927 20 0 DCADMM CC(C)[C@@H](C)C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001589432372 1166658858 /nfs/dbraw/zinc/65/88/58/1166658858.db2.gz DMWOYUKTMAWGAC-SNVBAGLBSA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)[C@@H](C)C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001589432372 1166658862 /nfs/dbraw/zinc/65/88/62/1166658862.db2.gz DMWOYUKTMAWGAC-SNVBAGLBSA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)[C@@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C1CC1 ZINC001589474756 1166662190 /nfs/dbraw/zinc/66/21/90/1166662190.db2.gz BDCUMZXUWJHWIJ-LLVKDONJSA-N -1 1 322.394 0.975 20 0 DCADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC001589500024 1166663560 /nfs/dbraw/zinc/66/35/60/1166663560.db2.gz VUXVXPZKQFPRGW-GXSJLCMTSA-N -1 1 319.369 0.990 20 0 DCADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC001589500024 1166663563 /nfs/dbraw/zinc/66/35/63/1166663563.db2.gz VUXVXPZKQFPRGW-GXSJLCMTSA-N -1 1 319.369 0.990 20 0 DCADMM CC(C)[C@@H]1N(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001589520117 1166664796 /nfs/dbraw/zinc/66/47/96/1166664796.db2.gz OUZYYHLBPVPLRC-UWVGGRQHSA-N -1 1 318.385 0.912 20 0 DCADMM CC(C)C[C@@H](C)N(C)C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001589550800 1166666758 /nfs/dbraw/zinc/66/67/58/1166666758.db2.gz QKJAHFCIZRIGGK-LLVKDONJSA-N -1 1 318.381 0.921 20 0 DCADMM CC(C)CCNC(=O)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589601902 1166667206 /nfs/dbraw/zinc/66/72/06/1166667206.db2.gz HFFCYMOUCHLALJ-UHFFFAOYSA-N -1 1 323.382 0.102 20 0 DCADMM CC(C)CCNC(=O)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589601902 1166667209 /nfs/dbraw/zinc/66/72/09/1166667209.db2.gz HFFCYMOUCHLALJ-UHFFFAOYSA-N -1 1 323.382 0.102 20 0 DCADMM CC(C)COC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589644204 1166671085 /nfs/dbraw/zinc/67/10/85/1166671085.db2.gz TXBBLUJYJUESJI-VIFPVBQESA-N -1 1 309.326 0.223 20 0 DCADMM CC(C)COC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589644204 1166671087 /nfs/dbraw/zinc/67/10/87/1166671087.db2.gz TXBBLUJYJUESJI-VIFPVBQESA-N -1 1 309.326 0.223 20 0 DCADMM CC(C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001589735849 1166680724 /nfs/dbraw/zinc/68/07/24/1166680724.db2.gz IIRXVTCRZFVBJD-JTQLQIEISA-N -1 1 303.326 0.577 20 0 DCADMM CC(C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001589735849 1166680729 /nfs/dbraw/zinc/68/07/29/1166680729.db2.gz IIRXVTCRZFVBJD-JTQLQIEISA-N -1 1 303.326 0.577 20 0 DCADMM CC(C)OC(=O)[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001589736051 1166681361 /nfs/dbraw/zinc/68/13/61/1166681361.db2.gz PRMRWNIWBLCQHX-VIFPVBQESA-N -1 1 303.326 0.577 20 0 DCADMM CC(C)[C@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C(N)=O ZINC001589764117 1166683657 /nfs/dbraw/zinc/68/36/57/1166683657.db2.gz UWHNVMLQXWLJJP-JTQLQIEISA-N -1 1 324.291 0.385 20 0 DCADMM CC(C)[C@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C(N)=O ZINC001589764117 1166683662 /nfs/dbraw/zinc/68/36/62/1166683662.db2.gz UWHNVMLQXWLJJP-JTQLQIEISA-N -1 1 324.291 0.385 20 0 DCADMM C[C@@H](F)CCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589910817 1166716696 /nfs/dbraw/zinc/71/66/96/1166716696.db2.gz BUQVHZGSILSCRP-SSDOTTSWSA-N -1 1 307.289 0.065 20 0 DCADMM C[C@@H](F)CCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589910817 1166716701 /nfs/dbraw/zinc/71/67/01/1166716701.db2.gz BUQVHZGSILSCRP-SSDOTTSWSA-N -1 1 307.289 0.065 20 0 DCADMM C[C@@H](NC(=O)C1CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589916651 1166717170 /nfs/dbraw/zinc/71/71/70/1166717170.db2.gz AJXOQCIZTACSOE-JGVFFNPUSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@@H](NC(=O)C1CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589916651 1166717180 /nfs/dbraw/zinc/71/71/80/1166717180.db2.gz AJXOQCIZTACSOE-JGVFFNPUSA-N -1 1 302.342 0.372 20 0 DCADMM C[C@H](C(=O)N[C@@H](C)c1ccns1)n1cnc(-c2nn[n-]n2)n1 ZINC001589917612 1166718890 /nfs/dbraw/zinc/71/88/90/1166718890.db2.gz GCGUWRLMMSZLHS-NKWVEPMBSA-N -1 1 319.354 0.353 20 0 DCADMM C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001589915582 1166719002 /nfs/dbraw/zinc/71/90/02/1166719002.db2.gz LEJFLCIKYNECJZ-MRVPVSSYSA-N -1 1 315.337 0.505 20 0 DCADMM C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001589915582 1166719006 /nfs/dbraw/zinc/71/90/06/1166719006.db2.gz LEJFLCIKYNECJZ-MRVPVSSYSA-N -1 1 315.337 0.505 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1(C)CC1 ZINC001589976374 1166735172 /nfs/dbraw/zinc/73/51/72/1166735172.db2.gz RFCQLYTVVMLGGG-MRVPVSSYSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1(C)CC1 ZINC001589976374 1166735179 /nfs/dbraw/zinc/73/51/79/1166735179.db2.gz RFCQLYTVVMLGGG-MRVPVSSYSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(=O)N1CCCC[C@H]1C ZINC001589986108 1166736306 /nfs/dbraw/zinc/73/63/06/1166736306.db2.gz XIMUECRYFQDMAP-NXEZZACHSA-N -1 1 316.369 0.280 20 0 DCADMM C[C@@H](O)CCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589998654 1166746341 /nfs/dbraw/zinc/74/63/41/1166746341.db2.gz KWMYWCYKXZSKIW-SSDOTTSWSA-N -1 1 317.396 0.320 20 0 DCADMM C[C@@H](O)CCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589998654 1166746342 /nfs/dbraw/zinc/74/63/42/1166746342.db2.gz KWMYWCYKXZSKIW-SSDOTTSWSA-N -1 1 317.396 0.320 20 0 DCADMM C[C@H](O)c1cccc(NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001590002817 1166749935 /nfs/dbraw/zinc/74/99/35/1166749935.db2.gz HILJJAGAHOOZND-QMMMGPOBSA-N -1 1 301.314 0.019 20 0 DCADMM C[C@@H](O)[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590001715 1166750006 /nfs/dbraw/zinc/75/00/06/1166750006.db2.gz VCOOLNDNUDNOEA-PSASIEDQSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@@H](O)[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590001715 1166750009 /nfs/dbraw/zinc/75/00/09/1166750009.db2.gz VCOOLNDNUDNOEA-PSASIEDQSA-N -1 1 303.326 0.639 20 0 DCADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001590062556 1166762378 /nfs/dbraw/zinc/76/23/78/1166762378.db2.gz KRCOGUSTDZODLB-SECBINFHSA-N -1 1 314.353 0.152 20 0 DCADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001590062556 1166762380 /nfs/dbraw/zinc/76/23/80/1166762380.db2.gz KRCOGUSTDZODLB-SECBINFHSA-N -1 1 314.353 0.152 20 0 DCADMM C[C@]1(C2CC2)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001590122293 1166780770 /nfs/dbraw/zinc/78/07/70/1166780770.db2.gz SXJTVJYKHVAAIP-OAHLLOKOSA-N -1 1 314.349 0.903 20 0 DCADMM C[C@]1(C2CC2)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001590122293 1166780775 /nfs/dbraw/zinc/78/07/75/1166780775.db2.gz SXJTVJYKHVAAIP-OAHLLOKOSA-N -1 1 314.349 0.903 20 0 DCADMM C[C@@]1(C2CC2)NC(=O)N(Cc2ccc(-c3nnn[n-]3)o2)C1=O ZINC001590122125 1166781214 /nfs/dbraw/zinc/78/12/14/1166781214.db2.gz OBWLJOLTBKPSPK-ZDUSSCGKSA-N -1 1 302.294 0.680 20 0 DCADMM C[C@@]1(C2CC2)NC(=O)N(Cc2ccc(-c3nn[n-]n3)o2)C1=O ZINC001590122125 1166781221 /nfs/dbraw/zinc/78/12/21/1166781221.db2.gz OBWLJOLTBKPSPK-ZDUSSCGKSA-N -1 1 302.294 0.680 20 0 DCADMM C[C@@]1(NC(=O)c2cccc(-c3nnn[n-]3)n2)CCO[C@H]1C1CC1 ZINC001590145740 1166789423 /nfs/dbraw/zinc/78/94/23/1166789423.db2.gz QTEVLTRYPXPPKG-SWLSCSKDSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@@]1(NC(=O)c2cccc(-c3nn[n-]n3)n2)CCO[C@H]1C1CC1 ZINC001590145740 1166789431 /nfs/dbraw/zinc/78/94/31/1166789431.db2.gz QTEVLTRYPXPPKG-SWLSCSKDSA-N -1 1 314.349 0.949 20 0 DCADMM C[C@H](C(=O)N1C[C@H](C)C[C@H](C)[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590186186 1166803318 /nfs/dbraw/zinc/80/33/18/1166803318.db2.gz ADCZQAPYEMLBHK-LMLFDSFASA-N -1 1 318.385 0.912 20 0 DCADMM C[C@H](C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590190363 1166803751 /nfs/dbraw/zinc/80/37/51/1166803751.db2.gz YUKJITMIGAJSJC-YTWAJWBKSA-N -1 1 318.385 0.960 20 0 DCADMM CC1CC(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590192128 1166806256 /nfs/dbraw/zinc/80/62/56/1166806256.db2.gz BPSOPNHQRLIYAZ-UHFFFAOYSA-N -1 1 308.367 0.586 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ncnn21 ZINC001590201880 1166811348 /nfs/dbraw/zinc/81/13/48/1166811348.db2.gz DYRNFSDETASYER-OIBJUYFYSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ncnn21 ZINC001590201880 1166811359 /nfs/dbraw/zinc/81/13/59/1166811359.db2.gz DYRNFSDETASYER-OIBJUYFYSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@@H]1C[C@@H](O)CN1C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001590212751 1166815150 /nfs/dbraw/zinc/81/51/50/1166815150.db2.gz WGTZIEKSJMQAMT-RKDXNWHRSA-N -1 1 312.333 0.943 20 0 DCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCS1(=O)=O ZINC001590211080 1166816225 /nfs/dbraw/zinc/81/62/25/1166816225.db2.gz HOWPQGSIRVLBRK-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCS1(=O)=O ZINC001590211080 1166816228 /nfs/dbraw/zinc/81/62/28/1166816228.db2.gz HOWPQGSIRVLBRK-YUMQZZPRSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CC[N@H+](Cc2cc(=O)n3[n-]cc(-c4nn[n-]n4)c3n2)C1 ZINC001590272131 1166835849 /nfs/dbraw/zinc/83/58/49/1166835849.db2.gz PEHVCUNBYFGJMJ-MRVPVSSYSA-N -1 1 300.326 0.457 20 0 DCADMM C[C@@H]1CC[N@@H+](Cc2cc(=O)n3[n-]cc(-c4nn[n-]n4)c3n2)C1 ZINC001590272131 1166835852 /nfs/dbraw/zinc/83/58/52/1166835852.db2.gz PEHVCUNBYFGJMJ-MRVPVSSYSA-N -1 1 300.326 0.457 20 0 DCADMM C[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H](CO)O1 ZINC001590320713 1166862001 /nfs/dbraw/zinc/86/20/01/1166862001.db2.gz RCNCLRRKAUGLPF-NTSWFWBYSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H](CO)O1 ZINC001590320713 1166862005 /nfs/dbraw/zinc/86/20/05/1166862005.db2.gz RCNCLRRKAUGLPF-NTSWFWBYSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@H]1CN(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2C)C[C@@H]1C ZINC001590320136 1166864214 /nfs/dbraw/zinc/86/42/14/1166864214.db2.gz KFEJKFQVLIWGLG-YUMQZZPRSA-N -1 1 314.357 0.478 20 0 DCADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC2(CCOCC2)O1 ZINC001590317137 1166864256 /nfs/dbraw/zinc/86/42/56/1166864256.db2.gz VJPYDMWHYNZFCA-SNVBAGLBSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC2(CCOCC2)O1 ZINC001590317137 1166864266 /nfs/dbraw/zinc/86/42/66/1166864266.db2.gz VJPYDMWHYNZFCA-SNVBAGLBSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CS(=O)(=O)CCN1Cc1csc(-c2nn[n-]n2)c1 ZINC001590330090 1166867986 /nfs/dbraw/zinc/86/79/86/1166867986.db2.gz WMHRKAZOMAFTBY-MRVPVSSYSA-N -1 1 313.408 0.547 20 0 DCADMM C[C@H]1COCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590325888 1166868536 /nfs/dbraw/zinc/86/85/36/1166868536.db2.gz VLBKPGKCSYQGRY-IONNQARKSA-N -1 1 306.330 0.147 20 0 DCADMM C[C@H]1COCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590325888 1166868542 /nfs/dbraw/zinc/86/85/42/1166868542.db2.gz VLBKPGKCSYQGRY-IONNQARKSA-N -1 1 306.330 0.147 20 0 DCADMM C/C=C(\C)C(=O)NCCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001590345939 1166878268 /nfs/dbraw/zinc/87/82/68/1166878268.db2.gz BLPHQBQVWIYAMV-ONNFQVAWSA-N -1 1 316.369 0.565 20 0 DCADMM C/C=C(\C)C(=O)NCCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001590345939 1166878273 /nfs/dbraw/zinc/87/82/73/1166878273.db2.gz BLPHQBQVWIYAMV-ONNFQVAWSA-N -1 1 316.369 0.565 20 0 DCADMM CC=C(C=CC(=O)NCCn1cnc(-c2nn[n-]n2)n1)CC ZINC001590350340 1166878741 /nfs/dbraw/zinc/87/87/41/1166878741.db2.gz QIMWPWSRYYWBKW-YXGJEIQZSA-N -1 1 302.342 0.487 20 0 DCADMM C/C=C(/C)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590349286 1166879383 /nfs/dbraw/zinc/87/93/83/1166879383.db2.gz KOLSUMPTJWAHAT-WTKPLQERSA-N -1 1 302.342 0.175 20 0 DCADMM C/C=C(/C)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590349286 1166879389 /nfs/dbraw/zinc/87/93/89/1166879389.db2.gz KOLSUMPTJWAHAT-WTKPLQERSA-N -1 1 302.342 0.175 20 0 DCADMM C/C=C(/C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001590350416 1166880223 /nfs/dbraw/zinc/88/02/23/1166880223.db2.gz QRKSEIFHOJBGTP-WTKPLQERSA-N -1 1 302.342 0.175 20 0 DCADMM C/C=C(/C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001590350416 1166880228 /nfs/dbraw/zinc/88/02/28/1166880228.db2.gz QRKSEIFHOJBGTP-WTKPLQERSA-N -1 1 302.342 0.175 20 0 DCADMM CCC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590375115 1166891786 /nfs/dbraw/zinc/89/17/86/1166891786.db2.gz VNKJCVAIXWHXRM-CYBMUJFWSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590375115 1166891792 /nfs/dbraw/zinc/89/17/92/1166891792.db2.gz VNKJCVAIXWHXRM-CYBMUJFWSA-N -1 1 302.342 0.152 20 0 DCADMM CC[C@H](C)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001590394384 1166896775 /nfs/dbraw/zinc/89/67/75/1166896775.db2.gz ZLNRBDQQCHGWTR-VIFPVBQESA-N -1 1 304.358 0.255 20 0 DCADMM CC[C@H](C)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001590394384 1166896782 /nfs/dbraw/zinc/89/67/82/1166896782.db2.gz ZLNRBDQQCHGWTR-VIFPVBQESA-N -1 1 304.358 0.255 20 0 DCADMM CC[C@H](C)C(=O)NCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590393912 1166897937 /nfs/dbraw/zinc/89/79/37/1166897937.db2.gz MYMDPOAUXGYKCT-QMMMGPOBSA-N -1 1 304.358 0.539 20 0 DCADMM CC[C@H](C)C(=O)NCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590393912 1166897947 /nfs/dbraw/zinc/89/79/47/1166897947.db2.gz MYMDPOAUXGYKCT-QMMMGPOBSA-N -1 1 304.358 0.539 20 0 DCADMM CC[C@H](C)C[C@H](CO)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590406714 1166900662 /nfs/dbraw/zinc/90/06/62/1166900662.db2.gz RDIBLILCDBFELI-CMPLNLGQSA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@H](C)C[C@H](CO)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590406714 1166900667 /nfs/dbraw/zinc/90/06/67/1166900667.db2.gz RDIBLILCDBFELI-CMPLNLGQSA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@@H](CNC(=O)C(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590437924 1166904592 /nfs/dbraw/zinc/90/45/92/1166904592.db2.gz ULMCLGPCSIWDSW-VIFPVBQESA-N -1 1 304.358 0.041 20 0 DCADMM CC[C@@H](CNS(C)(=O)=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590445771 1166908875 /nfs/dbraw/zinc/90/88/75/1166908875.db2.gz KJOSSZDFYDWOEC-QMMMGPOBSA-N -1 1 311.371 0.001 20 0 DCADMM CC[C@@H](CNS(C)(=O)=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590445771 1166908879 /nfs/dbraw/zinc/90/88/79/1166908879.db2.gz KJOSSZDFYDWOEC-QMMMGPOBSA-N -1 1 311.371 0.001 20 0 DCADMM CC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@H](O)C(C)C ZINC001590454440 1166910028 /nfs/dbraw/zinc/91/00/28/1166910028.db2.gz LKXJAGOFCWEGJG-BXUZGUMPSA-N -1 1 318.381 0.716 20 0 DCADMM CC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@H](O)C(C)C ZINC001590454440 1166910031 /nfs/dbraw/zinc/91/00/31/1166910031.db2.gz LKXJAGOFCWEGJG-BXUZGUMPSA-N -1 1 318.381 0.716 20 0 DCADMM CC[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(=O)NC ZINC001590473773 1166919063 /nfs/dbraw/zinc/91/90/63/1166919063.db2.gz RXAOSNRUIRASIF-BYPYZUCNSA-N -1 1 301.763 0.913 20 0 DCADMM CC[C@H]1CCCC[C@@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590511359 1166927616 /nfs/dbraw/zinc/92/76/16/1166927616.db2.gz KKWVBVLGESSMIT-QWRGUYRKSA-N -1 1 318.385 0.791 20 0 DCADMM CC[C@@H]1CCC[C@@H]1CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590509515 1166927905 /nfs/dbraw/zinc/92/79/05/1166927905.db2.gz SXAAOWNTWBSNTB-HBNTYKKESA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC001590504389 1166928348 /nfs/dbraw/zinc/92/83/48/1166928348.db2.gz IDDREFIWMRUHLW-DTWKUNHWSA-N -1 1 320.357 0.679 20 0 DCADMM CC[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC001590504389 1166928354 /nfs/dbraw/zinc/92/83/54/1166928354.db2.gz IDDREFIWMRUHLW-DTWKUNHWSA-N -1 1 320.357 0.679 20 0 DCADMM CC[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)[C@@H](C)CO1 ZINC001590517752 1166929973 /nfs/dbraw/zinc/92/99/73/1166929973.db2.gz HUCVHLWVBPAEPA-WCBMZHEXSA-N -1 1 320.353 0.732 20 0 DCADMM CC[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)[C@@H](C)CO1 ZINC001590517752 1166929980 /nfs/dbraw/zinc/92/99/80/1166929980.db2.gz HUCVHLWVBPAEPA-WCBMZHEXSA-N -1 1 320.353 0.732 20 0 DCADMM CC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)CO1 ZINC001590522672 1166933043 /nfs/dbraw/zinc/93/30/43/1166933043.db2.gz WOYCVTUMPQOIGN-KOLCDFICSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)CO1 ZINC001590522672 1166933047 /nfs/dbraw/zinc/93/30/47/1166933047.db2.gz WOYCVTUMPQOIGN-KOLCDFICSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H](C)S1(=O)=O ZINC001590521255 1166933586 /nfs/dbraw/zinc/93/35/86/1166933586.db2.gz LVTATEUXHAKDEW-DTWKUNHWSA-N -1 1 323.382 0.059 20 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CN(Cc1cccc(-c2nn[n-]n2)n1)C[C@H](O)C(F)(F)F ZINC001591145988 1167117918 /nfs/dbraw/zinc/11/79/18/1167117918.db2.gz BNTCGZUSHLOSQU-VIFPVBQESA-N -1 1 302.260 0.617 20 0 DCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H](CO)Cc1ccccc1 ZINC001591155652 1167119198 /nfs/dbraw/zinc/11/91/98/1167119198.db2.gz QKDDLQANTQZXNW-GFCCVEGCSA-N -1 1 311.349 0.697 20 0 DCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H](CO)Cc1ccccc1 ZINC001591155652 1167119200 /nfs/dbraw/zinc/11/92/00/1167119200.db2.gz QKDDLQANTQZXNW-GFCCVEGCSA-N -1 1 311.349 0.697 20 0 DCADMM CN(c1ccccn1)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001591157909 1167119540 /nfs/dbraw/zinc/11/95/40/1167119540.db2.gz UATYDCXHXHKHEE-UHFFFAOYSA-N -1 1 317.334 0.482 20 0 DCADMM CN1C(=O)CCC[C@@H]1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001591164262 1167121334 /nfs/dbraw/zinc/12/13/34/1167121334.db2.gz MCURKRXSWGKQGX-MRVPVSSYSA-N -1 1 322.350 0.377 20 0 DCADMM CN1C(=O)CCC[C@@H]1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001591164262 1167121339 /nfs/dbraw/zinc/12/13/39/1167121339.db2.gz MCURKRXSWGKQGX-MRVPVSSYSA-N -1 1 322.350 0.377 20 0 DCADMM CN1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1=O ZINC001591180520 1167132445 /nfs/dbraw/zinc/13/24/45/1167132445.db2.gz MQKMDHJFNJNYFI-ZETCQYMHSA-N -1 1 307.745 0.948 20 0 DCADMM CN1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1=O ZINC001591180520 1167132448 /nfs/dbraw/zinc/13/24/48/1167132448.db2.gz MQKMDHJFNJNYFI-ZETCQYMHSA-N -1 1 307.745 0.948 20 0 DCADMM CN1CCC[C@@H](OC(=O)c2ccsc2-c2nnn[n-]2)C1=O ZINC001591184359 1167137111 /nfs/dbraw/zinc/13/71/11/1167137111.db2.gz NCNDYHVZXWRSCG-MRVPVSSYSA-N -1 1 307.335 0.706 20 0 DCADMM CN1CCC[C@@H](OC(=O)c2ccsc2-c2nn[n-]n2)C1=O ZINC001591184359 1167137116 /nfs/dbraw/zinc/13/71/16/1167137116.db2.gz NCNDYHVZXWRSCG-MRVPVSSYSA-N -1 1 307.335 0.706 20 0 DCADMM CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591197985 1167147368 /nfs/dbraw/zinc/14/73/68/1167147368.db2.gz CASPPOREZYDKSN-MRVPVSSYSA-N -1 1 318.341 0.108 20 0 DCADMM CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591197985 1167147373 /nfs/dbraw/zinc/14/73/73/1167147373.db2.gz CASPPOREZYDKSN-MRVPVSSYSA-N -1 1 318.341 0.108 20 0 DCADMM COC(=O)[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001591234819 1167170605 /nfs/dbraw/zinc/17/06/05/1167170605.db2.gz MWQNNOHFSBSIMU-JTQLQIEISA-N -1 1 318.337 0.579 20 0 DCADMM COC(=O)[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001591234819 1167170608 /nfs/dbraw/zinc/17/06/08/1167170608.db2.gz MWQNNOHFSBSIMU-JTQLQIEISA-N -1 1 318.337 0.579 20 0 DCADMM COC(=O)C1(NC(=O)c2cccc(-c3nnn[n-]3)n2)CCCC1 ZINC001591244792 1167174652 /nfs/dbraw/zinc/17/46/52/1167174652.db2.gz ICCNZSDGOLNKLI-UHFFFAOYSA-N -1 1 316.321 0.477 20 0 DCADMM COC(=O)C1(NC(=O)c2cccc(-c3nn[n-]n3)n2)CCCC1 ZINC001591244792 1167174655 /nfs/dbraw/zinc/17/46/55/1167174655.db2.gz ICCNZSDGOLNKLI-UHFFFAOYSA-N -1 1 316.321 0.477 20 0 DCADMM COC(=O)/C=C\[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591256237 1167182226 /nfs/dbraw/zinc/18/22/26/1167182226.db2.gz ILUXPQBUNQEWNT-LBLVLHIFSA-N -1 1 302.294 0.109 20 0 DCADMM COC(=O)/C=C\[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591256237 1167182230 /nfs/dbraw/zinc/18/22/30/1167182230.db2.gz ILUXPQBUNQEWNT-LBLVLHIFSA-N -1 1 302.294 0.109 20 0 DCADMM COC(=O)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001591258769 1167183629 /nfs/dbraw/zinc/18/36/29/1167183629.db2.gz PPZVBFOFWVCYHR-VIFPVBQESA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001591258769 1167183634 /nfs/dbraw/zinc/18/36/34/1167183634.db2.gz PPZVBFOFWVCYHR-VIFPVBQESA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)NC1CCN(c2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001591273625 1167194226 /nfs/dbraw/zinc/19/42/26/1167194226.db2.gz WLDWDZFEDAETDP-UHFFFAOYSA-N -1 1 317.353 0.895 20 0 DCADMM COC(=O)NC1CCN(c2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001591273625 1167194232 /nfs/dbraw/zinc/19/42/32/1167194232.db2.gz WLDWDZFEDAETDP-UHFFFAOYSA-N -1 1 317.353 0.895 20 0 DCADMM COC(=O)[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001591278136 1167196341 /nfs/dbraw/zinc/19/63/41/1167196341.db2.gz NXJPNSSDYPWGDD-GXSJLCMTSA-N -1 1 302.338 0.897 20 0 DCADMM COC(=O)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001591278136 1167196343 /nfs/dbraw/zinc/19/63/43/1167196343.db2.gz NXJPNSSDYPWGDD-GXSJLCMTSA-N -1 1 302.338 0.897 20 0 DCADMM COC(=O)[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001591277398 1167196348 /nfs/dbraw/zinc/19/63/48/1167196348.db2.gz VRMHVDWOOLLAGJ-ZCFIWIBFSA-N -1 1 324.728 0.549 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1N(c1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001591284290 1167200902 /nfs/dbraw/zinc/20/09/02/1167200902.db2.gz FZUYDJPJGZUIEL-YGRLFVJLSA-N -1 1 315.337 0.579 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1N(c1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001591284290 1167200908 /nfs/dbraw/zinc/20/09/08/1167200908.db2.gz FZUYDJPJGZUIEL-YGRLFVJLSA-N -1 1 315.337 0.579 20 0 DCADMM COC(=O)c1ccc(NC[C@H](CO)C(C)C)c(-c2nnn[n-]2)n1 ZINC001591295380 1167203213 /nfs/dbraw/zinc/20/32/13/1167203213.db2.gz DHNRWIYSTHFXOU-SECBINFHSA-N -1 1 320.353 0.725 20 0 DCADMM COC(=O)c1ccc(NC[C@H](CO)C(C)C)c(-c2nn[n-]n2)n1 ZINC001591295380 1167203219 /nfs/dbraw/zinc/20/32/19/1167203219.db2.gz DHNRWIYSTHFXOU-SECBINFHSA-N -1 1 320.353 0.725 20 0 DCADMM COC(=O)c1ccc(NC2CCOCC2)c(-c2nnn[n-]2)n1 ZINC001591295221 1167203443 /nfs/dbraw/zinc/20/34/43/1167203443.db2.gz CGSQEPAMRJOAMM-UHFFFAOYSA-N -1 1 304.310 0.639 20 0 DCADMM COC(=O)c1ccc(NC2CCOCC2)c(-c2nn[n-]n2)n1 ZINC001591295221 1167203447 /nfs/dbraw/zinc/20/34/47/1167203447.db2.gz CGSQEPAMRJOAMM-UHFFFAOYSA-N -1 1 304.310 0.639 20 0 DCADMM CO[C@](C)(CO)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591318469 1167211282 /nfs/dbraw/zinc/21/12/82/1167211282.db2.gz AHIQCIXDJHPXPC-ZDUSSCGKSA-N -1 1 305.342 0.343 20 0 DCADMM CO[C@](C)(CO)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591318469 1167211287 /nfs/dbraw/zinc/21/12/87/1167211287.db2.gz AHIQCIXDJHPXPC-ZDUSSCGKSA-N -1 1 305.342 0.343 20 0 DCADMM CO[C@H](C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001591324942 1167215157 /nfs/dbraw/zinc/21/51/57/1167215157.db2.gz UBOGVCBUGYHYKV-MRVPVSSYSA-N -1 1 303.322 0.582 20 0 DCADMM CO[C@@H](CNC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001591329976 1167218373 /nfs/dbraw/zinc/21/83/73/1167218373.db2.gz PMJIIFRFUHIWGB-QMMMGPOBSA-N -1 1 316.243 0.569 20 0 DCADMM CO[C@@H](CNC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001591329976 1167218383 /nfs/dbraw/zinc/21/83/83/1167218383.db2.gz PMJIIFRFUHIWGB-QMMMGPOBSA-N -1 1 316.243 0.569 20 0 DCADMM CO[C@@H]1CC[C@H]1N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591353093 1167231732 /nfs/dbraw/zinc/23/17/32/1167231732.db2.gz GWBBZHQTRTVPRN-RKDXNWHRSA-N -1 1 306.330 0.241 20 0 DCADMM CO[C@@H]1CC[C@H]1N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591353093 1167231740 /nfs/dbraw/zinc/23/17/40/1167231740.db2.gz GWBBZHQTRTVPRN-RKDXNWHRSA-N -1 1 306.330 0.241 20 0 DCADMM CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001591354938 1167231795 /nfs/dbraw/zinc/23/17/95/1167231795.db2.gz MBQUUKFQDAQAPY-HOSYDEDBSA-N -1 1 319.369 0.635 20 0 DCADMM CO[C@@H]1CCC[C@H]([C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001591354938 1167231802 /nfs/dbraw/zinc/23/18/02/1167231802.db2.gz MBQUUKFQDAQAPY-HOSYDEDBSA-N -1 1 319.369 0.635 20 0 DCADMM CO[C@@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001591354351 1167232125 /nfs/dbraw/zinc/23/21/25/1167232125.db2.gz LXTXKBMTJCBGJE-NXEZZACHSA-N -1 1 320.357 0.047 20 0 DCADMM COCC(C)(C)N(C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001591369752 1167241887 /nfs/dbraw/zinc/24/18/87/1167241887.db2.gz XDLHPUVSUIYDNW-UHFFFAOYSA-N -1 1 308.342 0.589 20 0 DCADMM COCC(C)(C)N(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001591369752 1167241893 /nfs/dbraw/zinc/24/18/93/1167241893.db2.gz XDLHPUVSUIYDNW-UHFFFAOYSA-N -1 1 308.342 0.589 20 0 DCADMM COC[C@@H](C)CNc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001591374088 1167245686 /nfs/dbraw/zinc/24/56/86/1167245686.db2.gz SDYIXSNYIZHZPS-QMMMGPOBSA-N -1 1 306.326 0.743 20 0 DCADMM COC[C@@H](C)CNc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001591374088 1167245700 /nfs/dbraw/zinc/24/57/00/1167245700.db2.gz SDYIXSNYIZHZPS-QMMMGPOBSA-N -1 1 306.326 0.743 20 0 DCADMM COC[C@H](Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001591379021 1167249403 /nfs/dbraw/zinc/24/94/03/1167249403.db2.gz CMDDWBSHFIDWKY-LBPRGKRZSA-N -1 1 311.349 0.748 20 0 DCADMM COC[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC001591382541 1167252864 /nfs/dbraw/zinc/25/28/64/1167252864.db2.gz UXUIJWQOJPUNEY-KOLCDFICSA-N -1 1 321.337 0.631 20 0 DCADMM COC[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC001591382541 1167252874 /nfs/dbraw/zinc/25/28/74/1167252874.db2.gz UXUIJWQOJPUNEY-KOLCDFICSA-N -1 1 321.337 0.631 20 0 DCADMM COC[C@@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCOC1 ZINC001591385581 1167254536 /nfs/dbraw/zinc/25/45/36/1167254536.db2.gz BZUWJKIHNMPVDJ-AWEZNQCLSA-N -1 1 319.321 0.564 20 0 DCADMM COC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H](C)O1 ZINC001591396457 1167267822 /nfs/dbraw/zinc/26/78/22/1167267822.db2.gz XPVWFOJHYAITJD-DTWKUNHWSA-N -1 1 307.310 0.336 20 0 DCADMM COC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H](C)O1 ZINC001591396457 1167267825 /nfs/dbraw/zinc/26/78/25/1167267825.db2.gz XPVWFOJHYAITJD-DTWKUNHWSA-N -1 1 307.310 0.336 20 0 DCADMM COCC[C@@H](COC)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591399103 1167268394 /nfs/dbraw/zinc/26/83/94/1167268394.db2.gz OLWFUNVLHSQTMJ-JTQLQIEISA-N -1 1 306.326 0.043 20 0 DCADMM COCC[C@@H](COC)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591399103 1167268399 /nfs/dbraw/zinc/26/83/99/1167268399.db2.gz OLWFUNVLHSQTMJ-JTQLQIEISA-N -1 1 306.326 0.043 20 0 DCADMM COCC[C@H](COC)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591399496 1167269056 /nfs/dbraw/zinc/26/90/56/1167269056.db2.gz TZBFREMTZUDFJO-SNVBAGLBSA-N -1 1 306.326 0.043 20 0 DCADMM COCC[C@H](COC)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591399496 1167269065 /nfs/dbraw/zinc/26/90/65/1167269065.db2.gz TZBFREMTZUDFJO-SNVBAGLBSA-N -1 1 306.326 0.043 20 0 DCADMM COCC[C@@H](CO)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591398632 1167270105 /nfs/dbraw/zinc/27/01/05/1167270105.db2.gz HMAITPCIWPUJHM-VIFPVBQESA-N -1 1 305.342 0.343 20 0 DCADMM COCC[C@@H](CO)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591398632 1167270110 /nfs/dbraw/zinc/27/01/10/1167270110.db2.gz HMAITPCIWPUJHM-VIFPVBQESA-N -1 1 305.342 0.343 20 0 DCADMM COCC[C@@]1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC001591402667 1167270212 /nfs/dbraw/zinc/27/02/12/1167270212.db2.gz LFHGDUPRVQAWIG-CYBMUJFWSA-N -1 1 323.378 0.854 20 0 DCADMM COCC[C@@]1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC001591402667 1167270220 /nfs/dbraw/zinc/27/02/20/1167270220.db2.gz LFHGDUPRVQAWIG-CYBMUJFWSA-N -1 1 323.378 0.854 20 0 DCADMM COCCCCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001591413269 1167270751 /nfs/dbraw/zinc/27/07/51/1167270751.db2.gz MFJAKXZBCNCTDR-UHFFFAOYSA-N -1 1 317.349 0.974 20 0 DCADMM COCCC[C@@H](C)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001591406813 1167271132 /nfs/dbraw/zinc/27/11/32/1167271132.db2.gz AKJWURWSPTUPIZ-MRVPVSSYSA-N -1 1 307.358 0.910 20 0 DCADMM COCCC[C@@H](C)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001591406813 1167271140 /nfs/dbraw/zinc/27/11/40/1167271140.db2.gz AKJWURWSPTUPIZ-MRVPVSSYSA-N -1 1 307.358 0.910 20 0 DCADMM COCC[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591403594 1167273942 /nfs/dbraw/zinc/27/39/42/1167273942.db2.gz PXLIOMHBTBSBLR-SNVBAGLBSA-N -1 1 321.337 0.646 20 0 DCADMM COCC[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591403594 1167273947 /nfs/dbraw/zinc/27/39/47/1167273947.db2.gz PXLIOMHBTBSBLR-SNVBAGLBSA-N -1 1 321.337 0.646 20 0 DCADMM COCCN(CCC(=O)[O-])Cc1ccc(-c2nn[nH]n2)cc1F ZINC001591422270 1167279081 /nfs/dbraw/zinc/27/90/81/1167279081.db2.gz GDLAUNMMOVNMMY-UHFFFAOYSA-N -1 1 323.328 0.929 20 0 DCADMM COCCOC[C@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591436651 1167286847 /nfs/dbraw/zinc/28/68/47/1167286847.db2.gz PQQZHRJEKRSEFW-VIFPVBQESA-N -1 1 321.341 0.435 20 0 DCADMM COCCOC[C@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591436651 1167286851 /nfs/dbraw/zinc/28/68/51/1167286851.db2.gz PQQZHRJEKRSEFW-VIFPVBQESA-N -1 1 321.341 0.435 20 0 DCADMM COCCn1cc(CNc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001591450313 1167288374 /nfs/dbraw/zinc/28/83/74/1167288374.db2.gz IEXMSEQNUPKAMF-UHFFFAOYSA-N -1 1 300.326 0.139 20 0 DCADMM COCCn1cc(CNc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001591450313 1167288380 /nfs/dbraw/zinc/28/83/80/1167288380.db2.gz IEXMSEQNUPKAMF-UHFFFAOYSA-N -1 1 300.326 0.139 20 0 DCADMM COCc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1F ZINC001591456384 1167293981 /nfs/dbraw/zinc/29/39/81/1167293981.db2.gz NTRRULAZXKAODS-UHFFFAOYSA-N -1 1 317.284 0.619 20 0 DCADMM CON1CCC(NC(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001591468757 1167301759 /nfs/dbraw/zinc/30/17/59/1167301759.db2.gz VKZZENXJGRJTBP-UHFFFAOYSA-N -1 1 308.367 0.684 20 0 DCADMM CO[C@H]1C[C@@H](N(C)C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001591472912 1167304317 /nfs/dbraw/zinc/30/43/17/1167304317.db2.gz LLXVNGXHZQTQGW-OCAPTIKFSA-N -1 1 323.382 0.642 20 0 DCADMM CO[C@H]1C[C@@H](N(C)C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001591472912 1167304322 /nfs/dbraw/zinc/30/43/22/1167304322.db2.gz LLXVNGXHZQTQGW-OCAPTIKFSA-N -1 1 323.382 0.642 20 0 DCADMM CO[C@@H]1C[C@H](OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1(C)C ZINC001591472444 1167305163 /nfs/dbraw/zinc/30/51/63/1167305163.db2.gz WCUTWVSGOHIEDY-YIZRAAEISA-N -1 1 321.341 0.376 20 0 DCADMM COc1cc(C)nc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001591522705 1167321707 /nfs/dbraw/zinc/32/17/07/1167321707.db2.gz XZXFMWFDKJOXCJ-UHFFFAOYSA-N -1 1 312.293 0.621 20 0 DCADMM COc1cc(C)nc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001591522705 1167321710 /nfs/dbraw/zinc/32/17/10/1167321710.db2.gz XZXFMWFDKJOXCJ-UHFFFAOYSA-N -1 1 312.293 0.621 20 0 DCADMM COc1ccc(C)cc1NC(=O)Cn1cnnc1-c1nn[n-]n1 ZINC001591577772 1167333810 /nfs/dbraw/zinc/33/38/10/1167333810.db2.gz RWEJKMXVNIIGED-UHFFFAOYSA-N -1 1 314.309 0.414 20 0 DCADMM COc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001591609239 1167338012 /nfs/dbraw/zinc/33/80/12/1167338012.db2.gz OOAMAXGDFIYVSZ-UHFFFAOYSA-N -1 1 311.305 0.847 20 0 DCADMM COc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001591609239 1167338017 /nfs/dbraw/zinc/33/80/17/1167338017.db2.gz OOAMAXGDFIYVSZ-UHFFFAOYSA-N -1 1 311.305 0.847 20 0 DCADMM COc1ccccc1[C@H](CO)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591646543 1167340999 /nfs/dbraw/zinc/34/09/99/1167340999.db2.gz QHYZYDYWTHYFSI-ZDUSSCGKSA-N -1 1 312.333 0.838 20 0 DCADMM COc1ccccc1[C@H](CO)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591646543 1167341007 /nfs/dbraw/zinc/34/10/07/1167341007.db2.gz QHYZYDYWTHYFSI-ZDUSSCGKSA-N -1 1 312.333 0.838 20 0 DCADMM COc1ncc(NC(=O)[C@H]2CO[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001591663577 1167342952 /nfs/dbraw/zinc/34/29/52/1167342952.db2.gz CELNHQBNUQOYNN-HTQZYQBOSA-N -1 1 304.310 0.634 20 0 DCADMM CS(=O)(=O)[C@H]1CCCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001591674113 1167349194 /nfs/dbraw/zinc/34/91/94/1167349194.db2.gz RRMOOLDQAKIQBL-JTQLQIEISA-N -1 1 322.394 0.665 20 0 DCADMM CS(=O)(=O)[C@H]1CCCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001591674113 1167349196 /nfs/dbraw/zinc/34/91/96/1167349196.db2.gz RRMOOLDQAKIQBL-JTQLQIEISA-N -1 1 322.394 0.665 20 0 DCADMM CS[C@@H](CO)[C@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591690734 1167352901 /nfs/dbraw/zinc/35/29/01/1167352901.db2.gz TWGUDYGHUWRNBU-XVKPBYJWSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@@H](CO)[C@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591690734 1167352905 /nfs/dbraw/zinc/35/29/05/1167352905.db2.gz TWGUDYGHUWRNBU-XVKPBYJWSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@H](C)[C@H](C)OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591687695 1167353257 /nfs/dbraw/zinc/35/32/57/1167353257.db2.gz QLUSLXNVBQXECS-GJMOJQLCSA-N -1 1 311.371 0.702 20 0 DCADMM CS[C@H](CO)[C@@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591690359 1167354003 /nfs/dbraw/zinc/35/40/03/1167354003.db2.gz OOYXMSKQUXCUQE-GMSGAONNSA-N -1 1 323.382 0.496 20 0 DCADMM CS[C@H](CO)[C@@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591690359 1167354009 /nfs/dbraw/zinc/35/40/09/1167354009.db2.gz OOYXMSKQUXCUQE-GMSGAONNSA-N -1 1 323.382 0.496 20 0 DCADMM CS[C@H](CO)[C@@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591690767 1167354528 /nfs/dbraw/zinc/35/45/28/1167354528.db2.gz VDPFWCNTNKOJNQ-GMSGAONNSA-N -1 1 308.367 0.104 20 0 DCADMM CS[C@H](CO)[C@@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591690767 1167354532 /nfs/dbraw/zinc/35/45/32/1167354532.db2.gz VDPFWCNTNKOJNQ-GMSGAONNSA-N -1 1 308.367 0.104 20 0 DCADMM CSC[C@@H](C)C(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001591694707 1167355855 /nfs/dbraw/zinc/35/58/55/1167355855.db2.gz RFECGSOXBDWWAU-MRVPVSSYSA-N -1 1 322.398 0.184 20 0 DCADMM CSC[C@@H](C)C(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001591694707 1167355859 /nfs/dbraw/zinc/35/58/59/1167355859.db2.gz RFECGSOXBDWWAU-MRVPVSSYSA-N -1 1 322.398 0.184 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)Nc2cn[nH]c2)cc1-c1nn[n-]n1 ZINC001591706904 1167358149 /nfs/dbraw/zinc/35/81/49/1167358149.db2.gz XTEITKTUMYPVAZ-UHFFFAOYSA-N -1 1 318.322 0.665 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)Nc2nc[nH]n2)cc1-c1nn[n-]n1 ZINC001591706355 1167358684 /nfs/dbraw/zinc/35/86/84/1167358684.db2.gz NUFVBRSVYLDYPW-UHFFFAOYSA-N -1 1 319.310 0.060 20 0 DCADMM C[C@@H]1C[C@H](O)CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001591757396 1167366472 /nfs/dbraw/zinc/36/64/72/1167366472.db2.gz CVUDZRHBYVLIMY-SFYZADRCSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@@H]1C[C@H](O)CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001591757396 1167366480 /nfs/dbraw/zinc/36/64/80/1167366480.db2.gz CVUDZRHBYVLIMY-SFYZADRCSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C)CC1 ZINC001591765668 1167369509 /nfs/dbraw/zinc/36/95/09/1167369509.db2.gz DJIUQCYHQFROQJ-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C)CC1 ZINC001591765668 1167369512 /nfs/dbraw/zinc/36/95/12/1167369512.db2.gz DJIUQCYHQFROQJ-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCc2cncnc2)nn1C ZINC001591797508 1167382559 /nfs/dbraw/zinc/38/25/59/1167382559.db2.gz ZSZZEXWIAKNWGK-UHFFFAOYSA-N -1 1 313.325 0.270 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCc2cncnc2)nn1C ZINC001591797508 1167382567 /nfs/dbraw/zinc/38/25/67/1167382567.db2.gz ZSZZEXWIAKNWGK-UHFFFAOYSA-N -1 1 313.325 0.270 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H]1CCSC1 ZINC001591835695 1167390070 /nfs/dbraw/zinc/39/00/70/1167390070.db2.gz INPLGJYGVMUBDD-QMMMGPOBSA-N -1 1 320.378 0.759 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCSCC1 ZINC001591834902 1167390930 /nfs/dbraw/zinc/39/09/30/1167390930.db2.gz VYVNYJYPBKXJHB-UHFFFAOYSA-N -1 1 306.351 0.465 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC001591887580 1167411133 /nfs/dbraw/zinc/41/11/33/1167411133.db2.gz AINPOWKDEPASLK-VIFPVBQESA-N -1 1 308.367 0.193 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC001591887580 1167411135 /nfs/dbraw/zinc/41/11/35/1167411135.db2.gz AINPOWKDEPASLK-VIFPVBQESA-N -1 1 308.367 0.193 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCOC3(CCOCC3)C2)n1 ZINC001591888823 1167411308 /nfs/dbraw/zinc/41/13/08/1167411308.db2.gz PQMYTVGDHBXIJL-UHFFFAOYSA-N -1 1 317.353 0.351 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCOC3(CCOCC3)C2)n1 ZINC001591888823 1167411311 /nfs/dbraw/zinc/41/13/11/1167411311.db2.gz PQMYTVGDHBXIJL-UHFFFAOYSA-N -1 1 317.353 0.351 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2csc(N)n2)n1 ZINC001591899807 1167413152 /nfs/dbraw/zinc/41/31/52/1167413152.db2.gz YXEZSMWTUXVDML-UHFFFAOYSA-N -1 1 303.355 0.658 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2csc(N)n2)n1 ZINC001591899807 1167413157 /nfs/dbraw/zinc/41/31/57/1167413157.db2.gz YXEZSMWTUXVDML-UHFFFAOYSA-N -1 1 303.355 0.658 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@@H](C(N)=O)C2)n1 ZINC001591893064 1167414071 /nfs/dbraw/zinc/41/40/71/1167414071.db2.gz YWKLOQAOOXTCRW-BDAKNGLRSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@@H](C(N)=O)C2)n1 ZINC001591893064 1167414073 /nfs/dbraw/zinc/41/40/73/1167414073.db2.gz YWKLOQAOOXTCRW-BDAKNGLRSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(Cn2cncc(-c3nn[n-]n3)c2=O)cc(Cl)n1 ZINC001591978001 1167427896 /nfs/dbraw/zinc/42/78/96/1167427896.db2.gz PKDJPGOMPICUFQ-UHFFFAOYSA-N -1 1 303.713 0.829 20 0 DCADMM Cc1cc(NCc2nc(-c3nnn[n-]3)cs2)nc(CO)n1 ZINC001592053578 1167446358 /nfs/dbraw/zinc/44/63/58/1167446358.db2.gz KBFUHXQZVDRPGQ-UHFFFAOYSA-N -1 1 304.339 0.526 20 0 DCADMM Cc1cc(NCc2nc(-c3nn[n-]n3)cs2)nc(CO)n1 ZINC001592053578 1167446363 /nfs/dbraw/zinc/44/63/63/1167446363.db2.gz KBFUHXQZVDRPGQ-UHFFFAOYSA-N -1 1 304.339 0.526 20 0 DCADMM Cc1ccc([C@@H](O)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592138683 1167463863 /nfs/dbraw/zinc/46/38/63/1167463863.db2.gz XPPZFODFJRPWIT-GWCFXTLKSA-N -1 1 311.349 0.921 20 0 DCADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1F ZINC001592159341 1167465954 /nfs/dbraw/zinc/46/59/54/1167465954.db2.gz XVCQUIWYWVRYCK-UHFFFAOYSA-N -1 1 316.300 0.222 20 0 DCADMM Cc1ccc(N2CCN(CC(C)C)C(=O)C2)nc1-c1nnn[n-]1 ZINC001592176761 1167470410 /nfs/dbraw/zinc/47/04/10/1167470410.db2.gz XAYPPSNZJCCBRJ-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM Cc1ccc(N2CCN(CC(C)C)C(=O)C2)nc1-c1nn[n-]n1 ZINC001592176761 1167470413 /nfs/dbraw/zinc/47/04/13/1167470413.db2.gz XAYPPSNZJCCBRJ-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM Cc1ccc(N[C@@H]2CCc3nnn(C)c3C2)nc1-c1nnn[n-]1 ZINC001592183474 1167470581 /nfs/dbraw/zinc/47/05/81/1167470581.db2.gz FJTSNOYDZYSWNW-SECBINFHSA-N -1 1 311.353 0.668 20 0 DCADMM Cc1ccc(N[C@@H]2CCc3nnn(C)c3C2)nc1-c1nn[n-]n1 ZINC001592183474 1167470584 /nfs/dbraw/zinc/47/05/84/1167470584.db2.gz FJTSNOYDZYSWNW-SECBINFHSA-N -1 1 311.353 0.668 20 0 DCADMM Cc1ccc(N2CCN(CC(C)C)C(=O)C2)c(-c2nnn[n-]2)n1 ZINC001592176885 1167471171 /nfs/dbraw/zinc/47/11/71/1167471171.db2.gz YIVUQWLHVBVHES-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM Cc1ccc(N2CCN(CC(C)C)C(=O)C2)c(-c2nn[n-]n2)n1 ZINC001592176885 1167471174 /nfs/dbraw/zinc/47/11/74/1167471174.db2.gz YIVUQWLHVBVHES-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ncccn1 ZINC001592202686 1167476581 /nfs/dbraw/zinc/47/65/81/1167476581.db2.gz KNQZNHDLQAFUTL-UHFFFAOYSA-N -1 1 320.316 0.723 20 0 DCADMM Cc1ccn(CN2CCn3cccc3C2)c(=O)c1-c1nn[n-]n1 ZINC001592266445 1167479720 /nfs/dbraw/zinc/47/97/20/1167479720.db2.gz CAPBUVOWNDLRKU-UHFFFAOYSA-N -1 1 311.349 0.612 20 0 DCADMM Cc1ccn(CN2CC[C@H](C)[C@@H](F)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266961 1167480237 /nfs/dbraw/zinc/48/02/37/1167480237.db2.gz KQGXJLNRAZVOFH-ONGXEEELSA-N -1 1 306.345 0.974 20 0 DCADMM Cc1ccn(CN2C[C@@H]3CSC[C@@H]3C2)c(=O)c1-c1nnn[n-]1 ZINC001592266466 1167481018 /nfs/dbraw/zinc/48/10/18/1167481018.db2.gz CJXIVDVJAADYDJ-PHIMTYICSA-N -1 1 318.406 0.589 20 0 DCADMM Cc1ccncc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592277286 1167483534 /nfs/dbraw/zinc/48/35/34/1167483534.db2.gz YAHYRPVUDIQREU-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1cnc(CCn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)cn1 ZINC001592294268 1167484724 /nfs/dbraw/zinc/48/47/24/1167484724.db2.gz DYSZFHOONXUNCD-UHFFFAOYSA-N -1 1 312.337 0.381 20 0 DCADMM Cc1cncnc1N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001592301405 1167487737 /nfs/dbraw/zinc/48/77/37/1167487737.db2.gz ATFQHHZGQSMWLJ-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1cncnc1N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001592301405 1167487743 /nfs/dbraw/zinc/48/77/43/1167487743.db2.gz ATFQHHZGQSMWLJ-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2CCc3c[nH]nc3C2)c1-c1nn[n-]n1 ZINC001592327920 1167488569 /nfs/dbraw/zinc/48/85/69/1167488569.db2.gz MAFHWEMTWPNMAQ-SSDOTTSWSA-N -1 1 313.325 0.365 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@@H](C3CCC3)C2)n1 ZINC001592341143 1167495372 /nfs/dbraw/zinc/49/53/72/1167495372.db2.gz MFVLHJLHOKVNLI-GFCCVEGCSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@@H](C3CCC3)C2)n1 ZINC001592341143 1167495378 /nfs/dbraw/zinc/49/53/78/1167495378.db2.gz MFVLHJLHOKVNLI-GFCCVEGCSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCOC[C@@H]2[C@@H]2CCCO2)n1 ZINC001592341695 1167496142 /nfs/dbraw/zinc/49/61/42/1167496142.db2.gz ZTKOCPBSVCEYQL-NEPJUHHUSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCOC[C@@H]2[C@@H]2CCCO2)n1 ZINC001592341695 1167496147 /nfs/dbraw/zinc/49/61/47/1167496147.db2.gz ZTKOCPBSVCEYQL-NEPJUHHUSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592398711 1167511624 /nfs/dbraw/zinc/51/16/24/1167511624.db2.gz RBBFIRPCHDGRHU-UHFFFAOYSA-N -1 1 314.265 0.024 20 0 DCADMM Cc1nc2cc(C(=O)n3ncc(-c4nn[n-]n4)c3N)ccc2o1 ZINC001592401434 1167512542 /nfs/dbraw/zinc/51/25/42/1167512542.db2.gz AGRAGZRJEQOQHS-UHFFFAOYSA-N -1 1 310.277 0.784 20 0 DCADMM Cc1nc(NCCC(=O)NC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001592387193 1167512951 /nfs/dbraw/zinc/51/29/51/1167512951.db2.gz IQDSRGZHQBZPBX-UHFFFAOYSA-N -1 1 304.358 0.682 20 0 DCADMM Cc1nc(NCCC(=O)NC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001592387193 1167512952 /nfs/dbraw/zinc/51/29/52/1167512952.db2.gz IQDSRGZHQBZPBX-UHFFFAOYSA-N -1 1 304.358 0.682 20 0 DCADMM Cc1ncc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)s1 ZINC001592410089 1167515639 /nfs/dbraw/zinc/51/56/39/1167515639.db2.gz ALPFNXMQHDXICE-ZCFIWIBFSA-N -1 1 320.338 0.528 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1-c1nnn[n-]1 ZINC001592434057 1167519948 /nfs/dbraw/zinc/51/99/48/1167519948.db2.gz OOFNDUBJBXBWKX-DJLDLDEBSA-N -1 1 315.337 0.462 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1-c1nn[n-]n1 ZINC001592434057 1167519955 /nfs/dbraw/zinc/51/99/55/1167519955.db2.gz OOFNDUBJBXBWKX-DJLDLDEBSA-N -1 1 315.337 0.462 20 0 DCADMM Cc1nn(COC2CCOCC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437623 1167521787 /nfs/dbraw/zinc/52/17/87/1167521787.db2.gz VKJWLEOSXRFNLC-UHFFFAOYSA-N -1 1 306.326 0.193 20 0 DCADMM Cc1nocc1CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592465405 1167531064 /nfs/dbraw/zinc/53/10/64/1167531064.db2.gz RHKQVNGULAKRFY-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1nocc1CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592465405 1167531070 /nfs/dbraw/zinc/53/10/70/1167531070.db2.gz RHKQVNGULAKRFY-UHFFFAOYSA-N -1 1 300.282 0.880 20 0 DCADMM Cc1nsc(N(C)C(=O)c2cnccn2)c1-c1nnn[n-]1 ZINC001592467948 1167531984 /nfs/dbraw/zinc/53/19/84/1167531984.db2.gz RFTUAWSVEJPCAJ-UHFFFAOYSA-N -1 1 302.323 0.698 20 0 DCADMM Cc1nsc(N(C)C(=O)c2cnccn2)c1-c1nn[n-]n1 ZINC001592467948 1167531986 /nfs/dbraw/zinc/53/19/86/1167531986.db2.gz RFTUAWSVEJPCAJ-UHFFFAOYSA-N -1 1 302.323 0.698 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC001592500344 1167542612 /nfs/dbraw/zinc/54/26/12/1167542612.db2.gz VYBQHTYNOLZKKL-AWEZNQCLSA-N -1 1 319.321 0.400 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC001592500344 1167542615 /nfs/dbraw/zinc/54/26/15/1167542615.db2.gz VYBQHTYNOLZKKL-AWEZNQCLSA-N -1 1 319.321 0.400 20 0 DCADMM Cc1ocnc1-c1noc([C@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001592512117 1167544657 /nfs/dbraw/zinc/54/46/57/1167544657.db2.gz CHOZACDZUXDCOQ-YFKPBYRVSA-N -1 1 314.269 0.414 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)C(F)(F)F)c1-c1nnn[n-]1 ZINC001592515942 1167546166 /nfs/dbraw/zinc/54/61/66/1167546166.db2.gz SLUNOJDYSXJUKM-YFKPBYRVSA-N -1 1 304.232 0.773 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](C)C(F)(F)F)c1-c1nn[n-]n1 ZINC001592515942 1167546172 /nfs/dbraw/zinc/54/61/72/1167546172.db2.gz SLUNOJDYSXJUKM-YFKPBYRVSA-N -1 1 304.232 0.773 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2CCCC[C@@H]2F)c(-c2nn[n-]n2)c1=O ZINC001592545241 1167548950 /nfs/dbraw/zinc/54/89/50/1167548950.db2.gz RIRDHWUNVMDSLM-NKWVEPMBSA-N -1 1 309.305 0.359 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2CCCC2(C)C)c(-c2nn[n-]n2)c1=O ZINC001592546909 1167553657 /nfs/dbraw/zinc/55/36/57/1167553657.db2.gz VVQJALZKAPMSKY-SSDOTTSWSA-N -1 1 305.342 0.657 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC2(Cl)Cl)n1 ZINC001592558919 1167557229 /nfs/dbraw/zinc/55/72/29/1167557229.db2.gz NABJDKZOUXLNRI-YFKPBYRVSA-N -1 1 302.125 0.733 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC2(Cl)Cl)n1 ZINC001592558919 1167557238 /nfs/dbraw/zinc/55/72/38/1167557238.db2.gz NABJDKZOUXLNRI-YFKPBYRVSA-N -1 1 302.125 0.733 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n([C@H]2CCCC(C)(C)C2=O)c1=O ZINC001592558217 1167557903 /nfs/dbraw/zinc/55/79/03/1167557903.db2.gz VLWPCLPICZPZBC-VIFPVBQESA-N -1 1 318.337 0.047 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC(C)(C)C(C)(C)O)n1 ZINC001592559597 1167559816 /nfs/dbraw/zinc/55/98/16/1167559816.db2.gz ZKRKGXSGLWUUIH-UHFFFAOYSA-N -1 1 308.346 0.271 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC(C)(C)C(C)(C)O)n1 ZINC001592559597 1167559819 /nfs/dbraw/zinc/55/98/19/1167559819.db2.gz ZKRKGXSGLWUUIH-UHFFFAOYSA-N -1 1 308.346 0.271 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](CO)C2CCCC2)n1 ZINC001592559441 1167560193 /nfs/dbraw/zinc/56/01/93/1167560193.db2.gz QJHFPJDIFHGWFM-SNVBAGLBSA-N -1 1 320.357 0.273 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](CO)C2CCCC2)n1 ZINC001592559441 1167560200 /nfs/dbraw/zinc/56/02/00/1167560200.db2.gz QJHFPJDIFHGWFM-SNVBAGLBSA-N -1 1 320.357 0.273 20 0 DCADMM Cn1cc(C[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001592571298 1167565707 /nfs/dbraw/zinc/56/57/07/1167565707.db2.gz WVOIZISJTMVJOB-JTQLQIEISA-N -1 1 311.353 0.459 20 0 DCADMM Cn1cc(C[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001592571298 1167565713 /nfs/dbraw/zinc/56/57/13/1167565713.db2.gz WVOIZISJTMVJOB-JTQLQIEISA-N -1 1 311.353 0.459 20 0 DCADMM Cn1ccc(NCCNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC001592580592 1167567484 /nfs/dbraw/zinc/56/74/84/1167567484.db2.gz QSVHXPSOICTUFO-UHFFFAOYSA-N -1 1 318.366 0.504 20 0 DCADMM Cn1ccc(NCCNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC001592580592 1167567488 /nfs/dbraw/zinc/56/74/88/1167567488.db2.gz QSVHXPSOICTUFO-UHFFFAOYSA-N -1 1 318.366 0.504 20 0 DCADMM Cn1ccc(NCCNC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001592580421 1167568614 /nfs/dbraw/zinc/56/86/14/1167568614.db2.gz GWWNRWMTJNHJHX-UHFFFAOYSA-N -1 1 302.298 0.035 20 0 DCADMM Cn1ccc(NCCNC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001592580421 1167568620 /nfs/dbraw/zinc/56/86/20/1167568620.db2.gz GWWNRWMTJNHJHX-UHFFFAOYSA-N -1 1 302.298 0.035 20 0 DCADMM Cn1cccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592584321 1167571975 /nfs/dbraw/zinc/57/19/75/1167571975.db2.gz MJVRFUHSOPRPDH-UHFFFAOYSA-N -1 1 308.323 0.277 20 0 DCADMM FC(F)(F)[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001592614862 1167587390 /nfs/dbraw/zinc/58/73/90/1167587390.db2.gz BLFJKPCCJMTMLE-LURJTMIESA-N -1 1 301.232 0.424 20 0 DCADMM Fc1cccc2oc(NCCn3cnc(-c4nn[n-]n4)n3)nc21 ZINC001592660552 1167591267 /nfs/dbraw/zinc/59/12/67/1167591267.db2.gz FMSPJQVPGIEWIF-UHFFFAOYSA-N -1 1 315.272 0.851 20 0 DCADMM NC(=O)[C@@H]1CCCCC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001592722577 1167614230 /nfs/dbraw/zinc/61/42/30/1167614230.db2.gz ZYGZKLXCNCPZNS-BDAKNGLRSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@@H]1CCCCC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001592722577 1167614239 /nfs/dbraw/zinc/61/42/39/1167614239.db2.gz ZYGZKLXCNCPZNS-BDAKNGLRSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)CC1(CNc2ncncc2-c2nn[n-]n2)CCCCC1 ZINC001592724548 1167614477 /nfs/dbraw/zinc/61/44/77/1167614477.db2.gz NUBTZFRMSFOUMK-UHFFFAOYSA-N -1 1 316.369 0.895 20 0 DCADMM NC(=O)C[C@@H]1CN(Cc2csc(-c3nn[n-]n3)c2)CCO1 ZINC001592726315 1167615983 /nfs/dbraw/zinc/61/59/83/1167615983.db2.gz SGILEGLGIODBCW-SECBINFHSA-N -1 1 308.367 0.004 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccnc(OC(F)F)c1 ZINC001592753167 1167630807 /nfs/dbraw/zinc/63/08/07/1167630807.db2.gz PXDBREVHPZVYGK-UHFFFAOYSA-N -1 1 322.235 0.330 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2ccncc2c1 ZINC001592753141 1167631023 /nfs/dbraw/zinc/63/10/23/1167631023.db2.gz ORUKMGRQOLLZTF-UHFFFAOYSA-N -1 1 306.289 0.882 20 0 DCADMM Nc1nccc([C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001592762925 1167638973 /nfs/dbraw/zinc/63/89/73/1167638973.db2.gz RHMPAGJZZLQLNL-VIFPVBQESA-N -1 1 324.352 0.413 20 0 DCADMM Nc1nccc([C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001592762925 1167638975 /nfs/dbraw/zinc/63/89/75/1167638975.db2.gz RHMPAGJZZLQLNL-VIFPVBQESA-N -1 1 324.352 0.413 20 0 DCADMM O=C(CCCC1CC1)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001592836865 1167649369 /nfs/dbraw/zinc/64/93/69/1167649369.db2.gz RSMBMEBRRCEXIS-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CCCC1CC1)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001592836865 1167649372 /nfs/dbraw/zinc/64/93/72/1167649372.db2.gz RSMBMEBRRCEXIS-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CO[C@H]1CCOC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592886421 1167657725 /nfs/dbraw/zinc/65/77/25/1167657725.db2.gz OIFBTKIKLYTCIV-QMMMGPOBSA-N -1 1 309.351 0.350 20 0 DCADMM O=C(Cc1c[nH]c2cnccc12)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592910065 1167661800 /nfs/dbraw/zinc/66/18/00/1167661800.db2.gz ZNRNGDWDOWMFNK-UHFFFAOYSA-N -1 1 309.293 0.647 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC1(CF)CCOCC1 ZINC001592914998 1167665326 /nfs/dbraw/zinc/66/53/26/1167665326.db2.gz JTILABPKMZOOFX-UHFFFAOYSA-N -1 1 320.328 0.439 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC1(CF)CCOCC1 ZINC001592914998 1167665330 /nfs/dbraw/zinc/66/53/30/1167665330.db2.gz JTILABPKMZOOFX-UHFFFAOYSA-N -1 1 320.328 0.439 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)N1CCCc2ccccc21 ZINC001592935912 1167667004 /nfs/dbraw/zinc/66/70/04/1167667004.db2.gz DWOHMYTTYONVPQ-UHFFFAOYSA-N -1 1 310.321 0.438 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccnc1Cl ZINC001592941916 1167669891 /nfs/dbraw/zinc/66/98/91/1167669891.db2.gz QIGWELVZJFJVQI-UHFFFAOYSA-N -1 1 305.689 0.145 20 0 DCADMM O=C(N[C@H]1CC(=O)N(CC2CC2)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001592965004 1167677347 /nfs/dbraw/zinc/67/73/47/1167677347.db2.gz CNWBXJBKMQVQNY-VIFPVBQESA-N -1 1 316.321 0.200 20 0 DCADMM O=C(N[C@H]1CC(=O)N(CC2CC2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001592965004 1167677352 /nfs/dbraw/zinc/67/73/52/1167677352.db2.gz CNWBXJBKMQVQNY-VIFPVBQESA-N -1 1 316.321 0.200 20 0 DCADMM O=C(NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593030721 1167690787 /nfs/dbraw/zinc/69/07/87/1167690787.db2.gz PNYUEEUNSYMSKO-XHVZSJERSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593030721 1167690792 /nfs/dbraw/zinc/69/07/92/1167690792.db2.gz PNYUEEUNSYMSKO-XHVZSJERSA-N -1 1 314.349 0.949 20 0 DCADMM O=C(NCC1CC2(C1)OCCO2)c1ccc(-c2nnn[n-]2)o1 ZINC001593029122 1167691249 /nfs/dbraw/zinc/69/12/49/1167691249.db2.gz TZYJPCRLVNNJOT-UHFFFAOYSA-N -1 1 305.294 0.343 20 0 DCADMM O=C(NCC1CC2(C1)OCCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001593029122 1167691254 /nfs/dbraw/zinc/69/12/54/1167691254.db2.gz TZYJPCRLVNNJOT-UHFFFAOYSA-N -1 1 305.294 0.343 20 0 DCADMM O=C(NCC1CCOCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593044580 1167692259 /nfs/dbraw/zinc/69/22/59/1167692259.db2.gz NLYVXTUYLNEOCR-UHFFFAOYSA-N -1 1 303.326 0.810 20 0 DCADMM O=C(NCC1CCOCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593044580 1167692264 /nfs/dbraw/zinc/69/22/64/1167692264.db2.gz NLYVXTUYLNEOCR-UHFFFAOYSA-N -1 1 303.326 0.810 20 0 DCADMM O=C(NCC[C@@H](O)C1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593056439 1167694525 /nfs/dbraw/zinc/69/45/25/1167694525.db2.gz IDUCEHUGPZFCRU-SNVBAGLBSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCC[C@@H](O)C1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593056439 1167694531 /nfs/dbraw/zinc/69/45/31/1167694531.db2.gz IDUCEHUGPZFCRU-SNVBAGLBSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccc2[nH]ccc2c1 ZINC001593112426 1167710876 /nfs/dbraw/zinc/71/08/76/1167710876.db2.gz NKZWKINNZJJOQC-UHFFFAOYSA-N -1 1 323.320 0.370 20 0 DCADMM O=C(NC[C@H](O)C(F)(F)F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593114477 1167715403 /nfs/dbraw/zinc/71/54/03/1167715403.db2.gz YPYGCQBUDYKSPI-LURJTMIESA-N -1 1 317.231 0.306 20 0 DCADMM O=C(NC[C@H](O)C(F)(F)F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593114477 1167715408 /nfs/dbraw/zinc/71/54/08/1167715408.db2.gz YPYGCQBUDYKSPI-LURJTMIESA-N -1 1 317.231 0.306 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H]1CCC[C@H]1O ZINC001593136242 1167720440 /nfs/dbraw/zinc/72/04/40/1167720440.db2.gz GDXWQWBXTUGCHK-RKDXNWHRSA-N -1 1 308.367 0.641 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N(CCO)C1CC1 ZINC001593137682 1167720640 /nfs/dbraw/zinc/72/06/40/1167720640.db2.gz PKBFTPJGTBWWGJ-UHFFFAOYSA-N -1 1 308.367 0.595 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1CCC[C@@H]1O ZINC001593137705 1167720825 /nfs/dbraw/zinc/72/08/25/1167720825.db2.gz QUIMYGJMTVWCME-SCZZXKLOSA-N -1 1 322.394 0.888 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc(C2CC2)n[nH]1 ZINC001593146215 1167724553 /nfs/dbraw/zinc/72/45/53/1167724553.db2.gz JNXKMXIRZJBFKK-UHFFFAOYSA-N -1 1 310.321 0.792 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc(C2CC2)n[nH]1 ZINC001593146215 1167724562 /nfs/dbraw/zinc/72/45/62/1167724562.db2.gz JNXKMXIRZJBFKK-UHFFFAOYSA-N -1 1 310.321 0.792 20 0 DCADMM O=C(NCc1cnc2n1CCOC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593150809 1167725714 /nfs/dbraw/zinc/72/57/14/1167725714.db2.gz UHPUFXLEOTZXGA-UHFFFAOYSA-N -1 1 315.293 0.116 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccnc2ccncc21 ZINC001593199837 1167736755 /nfs/dbraw/zinc/73/67/55/1167736755.db2.gz RXSABDBNFHIJMU-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccnc2ccncc21 ZINC001593199837 1167736763 /nfs/dbraw/zinc/73/67/63/1167736763.db2.gz RXSABDBNFHIJMU-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@@H]2COC[C@H]2C1 ZINC001593255827 1167745836 /nfs/dbraw/zinc/74/58/36/1167745836.db2.gz MFKAARJDIJTJCI-NXEZZACHSA-N -1 1 315.337 0.762 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@@H]2COC[C@H]2C1 ZINC001593255827 1167745844 /nfs/dbraw/zinc/74/58/44/1167745844.db2.gz MFKAARJDIJTJCI-NXEZZACHSA-N -1 1 315.337 0.762 20 0 DCADMM O=C(Nc1ccn(CC(F)F)n1)c1cccc(-c2nnn[n-]2)n1 ZINC001593254404 1167746080 /nfs/dbraw/zinc/74/60/80/1167746080.db2.gz WNVJYBWBNBYQCI-UHFFFAOYSA-N -1 1 320.263 0.976 20 0 DCADMM O=C(Nc1ccn(CC(F)F)n1)c1cccc(-c2nn[n-]n2)n1 ZINC001593254404 1167746086 /nfs/dbraw/zinc/74/60/86/1167746086.db2.gz WNVJYBWBNBYQCI-UHFFFAOYSA-N -1 1 320.263 0.976 20 0 DCADMM O=C(N=c1cc[nH]cc1-c1nn[n-]n1)c1ocnc1C(F)F ZINC001593255700 1167746486 /nfs/dbraw/zinc/74/64/86/1167746486.db2.gz NOEXAZODHHFJAK-UHFFFAOYSA-N -1 1 307.220 0.862 20 0 DCADMM O=C(Nc1nc(CCO)cs1)c1cccc(-c2nnn[n-]2)n1 ZINC001593263258 1167750042 /nfs/dbraw/zinc/75/00/42/1167750042.db2.gz KHDGJBWHYMBPMS-UHFFFAOYSA-N -1 1 317.334 0.505 20 0 DCADMM O=C(Nc1nc(CCO)cs1)c1cccc(-c2nn[n-]n2)n1 ZINC001593263258 1167750049 /nfs/dbraw/zinc/75/00/49/1167750049.db2.gz KHDGJBWHYMBPMS-UHFFFAOYSA-N -1 1 317.334 0.505 20 0 DCADMM O=C([O-])[C@@H](C[NH2+]Cc1nc(-c2nnn[n-]2)cs1)CC1CC1 ZINC001593276109 1167752939 /nfs/dbraw/zinc/75/29/39/1167752939.db2.gz LOMNTYXAFFOHBL-MRVPVSSYSA-N -1 1 308.367 0.914 20 0 DCADMM O=C([O-])[C@@H](C[NH2+]Cc1nc(-c2nn[n-]n2)cs1)CC1CC1 ZINC001593276109 1167752948 /nfs/dbraw/zinc/75/29/48/1167752948.db2.gz LOMNTYXAFFOHBL-MRVPVSSYSA-N -1 1 308.367 0.914 20 0 DCADMM O=C(OCCO[C@H]1CCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593290571 1167764811 /nfs/dbraw/zinc/76/48/11/1167764811.db2.gz PPPXLXRZGMACBO-VIFPVBQESA-N -1 1 322.296 0.968 20 0 DCADMM O=C(OCCO[C@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593290571 1167764817 /nfs/dbraw/zinc/76/48/17/1167764817.db2.gz PPPXLXRZGMACBO-VIFPVBQESA-N -1 1 322.296 0.968 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC2(CCNC2=O)CC1 ZINC001593340476 1167781323 /nfs/dbraw/zinc/78/13/23/1167781323.db2.gz NAAFNUMZFIBZLP-UHFFFAOYSA-N -1 1 316.321 0.202 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC2(CCNC2=O)CC1 ZINC001593340476 1167781332 /nfs/dbraw/zinc/78/13/32/1167781332.db2.gz NAAFNUMZFIBZLP-UHFFFAOYSA-N -1 1 316.321 0.202 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H](C2OCCO2)C1 ZINC001593367001 1167786911 /nfs/dbraw/zinc/78/69/11/1167786911.db2.gz GALAWRZERRGLJB-MRVPVSSYSA-N -1 1 305.294 0.295 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H](C2OCCO2)C1 ZINC001593367001 1167786918 /nfs/dbraw/zinc/78/69/18/1167786918.db2.gz GALAWRZERRGLJB-MRVPVSSYSA-N -1 1 305.294 0.295 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCO[C@@]2(CCSC2)C1 ZINC001593369903 1167786941 /nfs/dbraw/zinc/78/69/41/1167786941.db2.gz QUWNXLPGKCOVPV-ZDUSSCGKSA-N -1 1 321.362 0.808 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCO[C@@]2(CCSC2)C1 ZINC001593369903 1167786948 /nfs/dbraw/zinc/78/69/48/1167786948.db2.gz QUWNXLPGKCOVPV-ZDUSSCGKSA-N -1 1 321.362 0.808 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@]12CCOC2=O ZINC001593367737 1167789346 /nfs/dbraw/zinc/78/93/46/1167789346.db2.gz OEHOVJHRMMZSRZ-ZDUSSCGKSA-N -1 1 303.278 0.381 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@]12CCOC2=O ZINC001593367737 1167789353 /nfs/dbraw/zinc/78/93/53/1167789353.db2.gz OEHOVJHRMMZSRZ-ZDUSSCGKSA-N -1 1 303.278 0.381 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOC[C@@H]1CCO ZINC001593371968 1167791057 /nfs/dbraw/zinc/79/10/57/1167791057.db2.gz XUTJZEYRMANUER-VIFPVBQESA-N -1 1 309.351 0.152 20 0 DCADMM O=S(=O)(NCc1ccno1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593442966 1167842719 /nfs/dbraw/zinc/84/27/19/1167842719.db2.gz QZUOGCROGFPJPH-UHFFFAOYSA-N -1 1 324.297 0.472 20 0 DCADMM O=S(=O)(NCCC1CC=CC1)c1cccnc1-c1nn[n-]n1 ZINC001593439055 1167843291 /nfs/dbraw/zinc/84/32/91/1167843291.db2.gz OSXBGDSPKIGLLD-UHFFFAOYSA-N -1 1 320.378 0.896 20 0 DCADMM O=S1(=O)CCC[C@H](Sc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001593463050 1167855475 /nfs/dbraw/zinc/85/54/75/1167855475.db2.gz JZIRQRGBALTEOY-ZETCQYMHSA-N -1 1 312.380 0.326 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CN1CC[C@@]2(CCOC2)C1 ZINC001593492986 1167875601 /nfs/dbraw/zinc/87/56/01/1167875601.db2.gz SHBCJKVJNNRNHQ-CQSZACIVSA-N -1 1 302.338 0.098 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CN1CC[C@@H](CF)C1)CCC2 ZINC001593492416 1167877604 /nfs/dbraw/zinc/87/76/04/1167877604.db2.gz OPSQPSLDYVZPHF-JTQLQIEISA-N -1 1 318.356 0.766 20 0 DCADMM O=c1onc(-c2cnccn2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593498441 1167883136 /nfs/dbraw/zinc/88/31/36/1167883136.db2.gz NQXSEAHIOPYJOB-UHFFFAOYSA-N -1 1 312.249 0.115 20 0 DCADMM O=c1onc(-c2cnccn2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593498441 1167883143 /nfs/dbraw/zinc/88/31/43/1167883143.db2.gz NQXSEAHIOPYJOB-UHFFFAOYSA-N -1 1 312.249 0.115 20 0 DCADMM O[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)c1c[nH]cn1 ZINC001593507223 1167886405 /nfs/dbraw/zinc/88/64/05/1167886405.db2.gz NYWGWMSFOPZSKV-YFKPBYRVSA-N -1 1 312.746 0.845 20 0 DCADMM OC1(C2CCC2)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001593510747 1167888878 /nfs/dbraw/zinc/88/88/78/1167888878.db2.gz NRMUOPPVYJBQOE-UHFFFAOYSA-N -1 1 301.354 0.788 20 0 DCADMM OC1(C2CCC2)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001593510747 1167888884 /nfs/dbraw/zinc/88/88/84/1167888884.db2.gz NRMUOPPVYJBQOE-UHFFFAOYSA-N -1 1 301.354 0.788 20 0 DCADMM O[C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)[C@@H]2CCCC[C@H]12 ZINC001593520388 1167895109 /nfs/dbraw/zinc/89/51/09/1167895109.db2.gz UVGQWJPJCHZJES-MVWJERBFSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)[C@@H]2CCCC[C@H]12 ZINC001593520388 1167895113 /nfs/dbraw/zinc/89/51/13/1167895113.db2.gz UVGQWJPJCHZJES-MVWJERBFSA-N -1 1 301.354 0.787 20 0 DCADMM OC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001593524629 1167901387 /nfs/dbraw/zinc/90/13/87/1167901387.db2.gz AQHYNGBTNRERGS-JTQLQIEISA-N -1 1 301.285 0.363 20 0 DCADMM OCCOCCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001593532221 1167911876 /nfs/dbraw/zinc/91/18/76/1167911876.db2.gz JZVMJCOBUAZBIE-UHFFFAOYSA-N -1 1 304.763 0.788 20 0 DCADMM OCCO[C@H]1CCCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001593531874 1167910213 /nfs/dbraw/zinc/91/02/13/1167910213.db2.gz BKEHHQPSUBPXEE-VIFPVBQESA-N -1 1 310.383 0.297 20 0 DCADMM O[C@@H](CNc1ncncc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001593536609 1167917854 /nfs/dbraw/zinc/91/78/54/1167917854.db2.gz RXCHHIBSTGPTTR-NSHDSACASA-N -1 1 301.285 0.941 20 0 DCADMM c1cc(-c2nn[n-]n2)nc(N2CCN(Cc3cncnc3)CC2)c1 ZINC001593550454 1167933058 /nfs/dbraw/zinc/93/30/58/1167933058.db2.gz VSSRGLBNIVVFBF-UHFFFAOYSA-N -1 1 323.364 0.374 20 0 DCADMM c1cnc(N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001593584648 1167951254 /nfs/dbraw/zinc/95/12/54/1167951254.db2.gz ZSTWMTDGYZFXOP-JTQLQIEISA-N -1 1 324.352 0.528 20 0 DCADMM c1cnc(N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001593584648 1167951256 /nfs/dbraw/zinc/95/12/56/1167951256.db2.gz ZSTWMTDGYZFXOP-JTQLQIEISA-N -1 1 324.352 0.528 20 0 DCADMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001593759074 1167961740 /nfs/dbraw/zinc/96/17/40/1167961740.db2.gz QGZBKONGTRWTJF-UHFFFAOYSA-N -1 1 316.325 0.475 20 0 DCADMM C[C@H](NC(=O)c1ccc([O-])cn1)c1nnc2c(=O)[nH]ccn21 ZINC001595941509 1167983113 /nfs/dbraw/zinc/98/31/13/1167983113.db2.gz 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RQISPEGWGJOWAV-SSDOTTSWSA-N -1 1 304.339 0.338 20 0 DCADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1nnc2ccccn21 ZINC001603686020 1169352880 /nfs/dbraw/zinc/35/28/80/1169352880.db2.gz ICMHRODTQUHZCV-VIFPVBQESA-N -1 1 307.321 0.899 20 0 DCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1nnc2ccccn21 ZINC001603686020 1169352886 /nfs/dbraw/zinc/35/28/86/1169352886.db2.gz ICMHRODTQUHZCV-VIFPVBQESA-N -1 1 307.321 0.899 20 0 DCADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@@H]1C ZINC001603687965 1169353373 /nfs/dbraw/zinc/35/33/73/1169353373.db2.gz ROIBYJPSOTYGDM-QWRGUYRKSA-N -1 1 315.381 0.885 20 0 DCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@@H]1C ZINC001603687965 1169353381 /nfs/dbraw/zinc/35/33/81/1169353381.db2.gz ROIBYJPSOTYGDM-QWRGUYRKSA-N -1 1 315.381 0.885 20 0 DCADMM C[C@H](O)[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001603694914 1169359817 /nfs/dbraw/zinc/35/98/17/1169359817.db2.gz GDAVBGKXYXOLQU-IUCAKERBSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@H](O)[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001603694914 1169359832 /nfs/dbraw/zinc/35/98/32/1169359832.db2.gz GDAVBGKXYXOLQU-IUCAKERBSA-N -1 1 303.326 0.496 20 0 DCADMM CC(C)CN1CCN(C(=O)Nc2cc(C(=O)[O-])nn2C)CC1 ZINC001603816298 1169401606 /nfs/dbraw/zinc/40/16/06/1169401606.db2.gz MKGGEOOUTJTSJS-UHFFFAOYSA-N -1 1 309.370 0.924 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)c2ncnn21 ZINC001603854951 1169414537 /nfs/dbraw/zinc/41/45/37/1169414537.db2.gz SYNSNYSSMQMCKT-RNFRBKRXSA-N -1 1 316.350 0.956 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)c2ncnn21 ZINC001603854951 1169414542 /nfs/dbraw/zinc/41/45/42/1169414542.db2.gz SYNSNYSSMQMCKT-RNFRBKRXSA-N -1 1 316.350 0.956 20 0 DCADMM C[C@H]1CCCCN1C(=O)Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001603896521 1169425720 /nfs/dbraw/zinc/42/57/20/1169425720.db2.gz WJGYPCCFJUJFHI-JTQLQIEISA-N -1 1 314.353 0.717 20 0 DCADMM C[C@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001603903263 1169426432 /nfs/dbraw/zinc/42/64/32/1169426432.db2.gz JDAXJIDFLUTVSE-KWQFWETISA-N -1 1 305.313 0.849 20 0 DCADMM C[C@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001603903263 1169426435 /nfs/dbraw/zinc/42/64/35/1169426435.db2.gz JDAXJIDFLUTVSE-KWQFWETISA-N -1 1 305.313 0.849 20 0 DCADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001603913423 1169433035 /nfs/dbraw/zinc/43/30/35/1169433035.db2.gz GOZVOARTVYUMCS-WKEGUHRASA-N -1 1 313.325 0.618 20 0 DCADMM C[C@H](C(=O)N1C[C@H](C)CC(C)(C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001603914522 1169433755 /nfs/dbraw/zinc/43/37/55/1169433755.db2.gz WCMLAYZXKIFWTL-NXEZZACHSA-N -1 1 318.385 0.914 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@@]1(C)CO ZINC001603929746 1169438917 /nfs/dbraw/zinc/43/89/17/1169438917.db2.gz BLKHEPQBCAAGAU-XPTSAGLGSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@@]1(C)CO ZINC001603929746 1169438919 /nfs/dbraw/zinc/43/89/19/1169438919.db2.gz BLKHEPQBCAAGAU-XPTSAGLGSA-N -1 1 302.338 0.352 20 0 DCADMM C[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@@]2(CCOC2)O1 ZINC001603934932 1169441417 /nfs/dbraw/zinc/44/14/17/1169441417.db2.gz DCCISUNFQZEZOI-TVQRCGJNSA-N -1 1 322.394 0.703 20 0 DCADMM C[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@@]2(CCOC2)O1 ZINC001603934932 1169441419 /nfs/dbraw/zinc/44/14/19/1169441419.db2.gz DCCISUNFQZEZOI-TVQRCGJNSA-N -1 1 322.394 0.703 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)[C@H]1C ZINC001603939321 1169444244 /nfs/dbraw/zinc/44/42/44/1169444244.db2.gz RMALQRMSJJVILA-UTLUCORTSA-N -1 1 322.394 0.927 20 0 DCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)[C@H]1C ZINC001603939321 1169444248 /nfs/dbraw/zinc/44/42/48/1169444248.db2.gz RMALQRMSJJVILA-UTLUCORTSA-N -1 1 322.394 0.927 20 0 DCADMM C[C@@H]1CN(c2cccnc2-c2nnn[n-]2)C[C@H](C)S1(=O)=O ZINC001603940329 1169446155 /nfs/dbraw/zinc/44/61/55/1169446155.db2.gz HAIWKWOWBUOELA-DTORHVGOSA-N -1 1 308.367 0.274 20 0 DCADMM C[C@@H]1CN(c2cccnc2-c2nn[n-]n2)C[C@H](C)S1(=O)=O ZINC001603940329 1169446161 /nfs/dbraw/zinc/44/61/61/1169446161.db2.gz HAIWKWOWBUOELA-DTORHVGOSA-N -1 1 308.367 0.274 20 0 DCADMM C[C@H]1CS(=O)(=O)CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001603949066 1169448433 /nfs/dbraw/zinc/44/84/33/1169448433.db2.gz WVDSIIFAAVLPTO-VIFPVBQESA-N -1 1 311.367 0.469 20 0 DCADMM C[C@H]1CS(=O)(=O)CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001603949066 1169448438 /nfs/dbraw/zinc/44/84/38/1169448438.db2.gz WVDSIIFAAVLPTO-VIFPVBQESA-N -1 1 311.367 0.469 20 0 DCADMM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1cccc(-c2nn[n-]n2)n1 ZINC001603953826 1169448775 /nfs/dbraw/zinc/44/87/75/1169448775.db2.gz KWLRKXWKUJGPFM-AEJSXWLSSA-N -1 1 301.354 0.359 20 0 DCADMM CCC(=O)NCCCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001603971283 1169459382 /nfs/dbraw/zinc/45/93/82/1169459382.db2.gz DDYASFITSBOVKU-UHFFFAOYSA-N -1 1 304.358 0.547 20 0 DCADMM CCC(=O)NCCCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001603971283 1169459387 /nfs/dbraw/zinc/45/93/87/1169459387.db2.gz DDYASFITSBOVKU-UHFFFAOYSA-N -1 1 304.358 0.547 20 0 DCADMM CCC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001603974738 1169462099 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CC[C@H](C)N(CC(=O)OC)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604006863 1169470169 /nfs/dbraw/zinc/47/01/69/1169470169.db2.gz KOYLJPGODCARFP-QMMMGPOBSA-N -1 1 307.310 0.873 20 0 DCADMM CC[C@H](C)N(CC(=O)OC)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604006863 1169470173 /nfs/dbraw/zinc/47/01/73/1169470173.db2.gz KOYLJPGODCARFP-QMMMGPOBSA-N -1 1 307.310 0.873 20 0 DCADMM CC(C)c1nnc(CNC2(C(=O)[O-])CCS(=O)(=O)CC2)[nH]1 ZINC001604013570 1169471110 /nfs/dbraw/zinc/47/11/10/1169471110.db2.gz FQOHFCGAVUENAM-UHFFFAOYSA-N -1 1 316.383 0.050 20 0 DCADMM CCC(CC)C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001604022719 1169472170 /nfs/dbraw/zinc/47/21/70/1169472170.db2.gz LSQJGNIWYJPOIY-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CCC(CC)C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001604022719 1169472173 /nfs/dbraw/zinc/47/21/73/1169472173.db2.gz LSQJGNIWYJPOIY-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](NC(C)=O)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001604056542 1169482587 /nfs/dbraw/zinc/48/25/87/1169482587.db2.gz VDYGYWZRLGYYBQ-QMMMGPOBSA-N -1 1 318.341 0.320 20 0 DCADMM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC001604061273 1169484664 /nfs/dbraw/zinc/48/46/64/1169484664.db2.gz RZNAOAJCNWJWJO-LBLVLHIFSA-N -1 1 313.335 0.212 20 0 DCADMM CCC1(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001604084435 1169487544 /nfs/dbraw/zinc/48/75/44/1169487544.db2.gz KWZCQIJOUNVDMC-UHFFFAOYSA-N -1 1 315.337 0.507 20 0 DCADMM CCC1(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001604084435 1169487548 /nfs/dbraw/zinc/48/75/48/1169487548.db2.gz KWZCQIJOUNVDMC-UHFFFAOYSA-N -1 1 315.337 0.507 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC001604114443 1169497064 /nfs/dbraw/zinc/49/70/64/1169497064.db2.gz XVQSKGDONBNPMA-NSHDSACASA-N -1 1 306.366 0.450 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cn3c(n2)CCC3)CC1 ZINC001604114921 1169497179 /nfs/dbraw/zinc/49/71/79/1169497179.db2.gz WNGUGINXLFMMCO-LLVKDONJSA-N -1 1 306.366 0.450 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1CCCN1C)CNc1ncc(C(=O)[O-])cn1 ZINC001604173009 1169511984 /nfs/dbraw/zinc/51/19/84/1169511984.db2.gz KHBRZHGXDAYXQV-CMPLNLGQSA-N -1 1 321.381 0.433 20 0 DCADMM CCCOCC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001604230753 1169530209 /nfs/dbraw/zinc/53/02/09/1169530209.db2.gz RIEHPKZBKZRLPZ-UHFFFAOYSA-N -1 1 302.338 0.968 20 0 DCADMM CCCOCC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001604230753 1169530215 /nfs/dbraw/zinc/53/02/15/1169530215.db2.gz RIEHPKZBKZRLPZ-UHFFFAOYSA-N -1 1 302.338 0.968 20 0 DCADMM C[C@@H](Cc1cnn(C)c1)NS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001604243421 1169531502 /nfs/dbraw/zinc/53/15/02/1169531502.db2.gz PHTIRILZKWLXJD-ZETCQYMHSA-N -1 1 314.323 0.016 20 0 DCADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC001604265525 1169538780 /nfs/dbraw/zinc/53/87/80/1169538780.db2.gz KBDJOUVHCSUECF-JTQLQIEISA-N -1 1 302.338 0.903 20 0 DCADMM CCN(C(=O)c1cccc(-c2nn[n-]n2)n1)[C@H]1CCCOC1 ZINC001604265525 1169538789 /nfs/dbraw/zinc/53/87/89/1169538789.db2.gz KBDJOUVHCSUECF-JTQLQIEISA-N -1 1 302.338 0.903 20 0 DCADMM 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Cn1nccc1[C@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001606280790 1170147725 /nfs/dbraw/zinc/14/77/25/1170147725.db2.gz OVVWYLUDBMUNKG-JTQLQIEISA-N -1 1 311.353 0.774 20 0 DCADMM CNS(=O)(=O)C[C@@H]1CCCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001606302820 1170155833 /nfs/dbraw/zinc/15/58/33/1170155833.db2.gz NNEZVMNJYMZHPM-SNVBAGLBSA-N -1 1 315.395 0.474 20 0 DCADMM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001606410464 1170189328 /nfs/dbraw/zinc/18/93/28/1170189328.db2.gz REFJOJDVXBQLSR-IUCAKERBSA-N -1 1 320.378 0.702 20 0 DCADMM NC(=O)CC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001606411025 1170190171 /nfs/dbraw/zinc/19/01/71/1170190171.db2.gz QZVLLBLPEHYHPB-UHFFFAOYSA-N -1 1 316.369 0.895 20 0 DCADMM NC(=O)CC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001606411025 1170190177 /nfs/dbraw/zinc/19/01/77/1170190177.db2.gz QZVLLBLPEHYHPB-UHFFFAOYSA-N -1 1 316.369 0.895 20 0 DCADMM COC(=O)[C@H]1CN(Cc2ccnn2CC2CCC2)C[C@H]1C(=O)[O-] ZINC001606432190 1170200560 /nfs/dbraw/zinc/20/05/60/1170200560.db2.gz 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/nfs/dbraw/zinc/56/14/25/755561425.db2.gz SARSPUKUQXDMLS-UPJWGTAASA-N -1 1 317.393 0.440 20 0 DCADMM Cc1cc(N[C@@H](C)CNC(=O)c2ncccc2[O-])nc(CO)n1 ZINC001097764475 755740352 /nfs/dbraw/zinc/74/03/52/755740352.db2.gz HSINCEDRCKPQCB-JTQLQIEISA-N -1 1 317.349 0.608 20 0 DCADMM CCN(C(=O)[C@H](C)COC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079483880 755855885 /nfs/dbraw/zinc/85/58/85/755855885.db2.gz UPLUIXMIHQDLFL-LLVKDONJSA-N -1 1 321.377 0.743 20 0 DCADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C=C1CCC1 ZINC001079555848 755908501 /nfs/dbraw/zinc/90/85/01/755908501.db2.gz SQPISGJERIFUPK-ZYHUDNBSSA-N -1 1 305.382 0.155 20 0 DCADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCC1(C)C ZINC001080286286 756162029 /nfs/dbraw/zinc/16/20/29/756162029.db2.gz GHBVVEWNJMYBHG-GRYCIOLGSA-N -1 1 321.425 0.481 20 0 DCADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1(C)CC=CC1 ZINC001080387279 756186723 /nfs/dbraw/zinc/18/67/23/756186723.db2.gz UFPPPRMPUUARCZ-VXGBXAGGSA-N -1 1 319.409 0.401 20 0 DCADMM CC(=O)NC[C@H]1Cc2ccccc2CN1Cc1nc(=O)n(C)[n-]1 ZINC001054031089 756342965 /nfs/dbraw/zinc/34/29/65/756342965.db2.gz WFBZHWGMSSMKAR-CQSZACIVSA-N -1 1 315.377 0.171 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccnc2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054333354 756440605 /nfs/dbraw/zinc/44/06/05/756440605.db2.gz OSQIAGBHEBSEAT-KOLCDFICSA-N -1 1 302.338 0.156 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054366251 756454483 /nfs/dbraw/zinc/45/44/83/756454483.db2.gz KNCGDALYAOFSGZ-PSASIEDQSA-N -1 1 307.379 0.822 20 0 DCADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001054392820 756469359 /nfs/dbraw/zinc/46/93/59/756469359.db2.gz XQGTVMIKGMQTGU-BXKDBHETSA-N -1 1 316.365 0.464 20 0 DCADMM Cc1ccc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H](C)C2)cn1 ZINC001054392821 756469690 /nfs/dbraw/zinc/46/96/90/756469690.db2.gz XQGTVMIKGMQTGU-CABZTGNLSA-N -1 1 316.365 0.464 20 0 DCADMM Cc1ocnc1C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001054459856 756493902 /nfs/dbraw/zinc/49/39/02/756493902.db2.gz VXGCZDCYFOCIQE-VXNVDRBHSA-N -1 1 306.326 0.057 20 0 DCADMM Cc1ocnc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001054459848 756494006 /nfs/dbraw/zinc/49/40/06/756494006.db2.gz VXGCZDCYFOCIQE-CBAPKCEASA-N -1 1 306.326 0.057 20 0 DCADMM C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054506216 756519040 /nfs/dbraw/zinc/51/90/40/756519040.db2.gz KTTZMWQINBKDAB-RKDXNWHRSA-N -1 1 309.370 0.062 20 0 DCADMM Cc1[nH]nc(C(=O)N2C[C@H](NCc3ccn(C)n3)[C@@H](C)C2)c1[O-] ZINC001054566771 756544198 /nfs/dbraw/zinc/54/41/98/756544198.db2.gz BRJAPTFGIZXWBJ-CABZTGNLSA-N -1 1 318.381 0.408 20 0 DCADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NCc1nncs1 ZINC001054603909 756564977 /nfs/dbraw/zinc/56/49/77/756564977.db2.gz IJVMAPXRRUFXJC-NXEZZACHSA-N -1 1 319.390 0.889 20 0 DCADMM CCc1ccc(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)o1 ZINC001054813399 756645630 /nfs/dbraw/zinc/64/56/30/756645630.db2.gz WBNGRCWTAGROIF-MWLCHTKSSA-N -1 1 319.365 0.916 20 0 DCADMM CC/C=C(/C)C(=O)N(CCO)CCNC(=O)c1ncccc1[O-] ZINC001057122339 757141388 /nfs/dbraw/zinc/14/13/88/757141388.db2.gz RNWMCMYQHLRRNV-XGICHPGQSA-N -1 1 321.377 0.694 20 0 DCADMM COC(=O)c1cc(C)cnc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170217340 762569052 /nfs/dbraw/zinc/56/90/52/762569052.db2.gz CAUXKTIJZYVKRD-UHFFFAOYSA-N -1 1 316.277 0.949 20 0 DCADMM CCS(=O)(=O)c1cccnc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170226707 762580571 /nfs/dbraw/zinc/58/05/71/762580571.db2.gz QHPTWJQEJNNDOY-UHFFFAOYSA-N -1 1 320.334 0.991 20 0 DCADMM NC(=O)c1cc2c(nc1Nc1[n-]c(=O)nc3nc[nH]c31)CCC2 ZINC001170227291 762580897 /nfs/dbraw/zinc/58/08/97/762580897.db2.gz KPGVDHGPDCRIRN-UHFFFAOYSA-N -1 1 311.305 0.785 20 0 DCADMM CCS(=O)(=O)c1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)nc1 ZINC001170229327 762581663 /nfs/dbraw/zinc/58/16/63/762581663.db2.gz RRHBXKSENHNZKX-UHFFFAOYSA-N -1 1 320.334 0.991 20 0 DCADMM C[C@@H]1CCC[C@H](OCC(=O)N2CCOC[C@H]2c2nn[n-]n2)C1 ZINC000822401000 758193575 /nfs/dbraw/zinc/19/35/75/758193575.db2.gz 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ZINC000825249878 758801159 /nfs/dbraw/zinc/80/11/59/758801159.db2.gz MVRLSJANDZGJQG-ZZKXABKFSA-N -1 1 300.322 0.516 20 0 DCADMM CN(C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1nn[n-]n1 ZINC000826588657 758831770 /nfs/dbraw/zinc/83/17/70/758831770.db2.gz FBHOWKLNQAEHLY-JTQLQIEISA-N -1 1 304.285 0.355 20 0 DCADMM CC(C)c1nc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)cs1 ZINC000827967737 758903075 /nfs/dbraw/zinc/90/30/75/758903075.db2.gz HRCAHZCWJCYZRM-VIFPVBQESA-N -1 1 308.367 0.993 20 0 DCADMM Cc1ncc(CO)c(C(=O)NC[C@H](O)c2ccc(O)cc2)c1[O-] ZINC001147844324 767858820 /nfs/dbraw/zinc/85/88/20/767858820.db2.gz NYAAPXOVFNZHMF-ZDUSSCGKSA-N -1 1 318.329 0.757 20 0 DCADMM Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NCc3cnns3)C2)c1[O-] ZINC001086061646 759650227 /nfs/dbraw/zinc/65/02/27/759650227.db2.gz YZQQJXSLYHEWKD-DTORHVGOSA-N -1 1 322.394 0.573 20 0 DCADMM Cc1nsc(N2CC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001058344014 759912200 /nfs/dbraw/zinc/91/22/00/759912200.db2.gz OSCFSYDRWJMFKV-VIFPVBQESA-N -1 1 305.363 0.956 20 0 DCADMM CC[C@H](F)C(=O)N(CCO)CCNC(=O)c1ncccc1[O-] ZINC001058380429 759940857 /nfs/dbraw/zinc/94/08/57/759940857.db2.gz FIUPHIPDDXSBJI-JTQLQIEISA-N -1 1 313.329 0.086 20 0 DCADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC(C)(C)C)C3)nc1=O ZINC001108936356 761147960 /nfs/dbraw/zinc/14/79/60/761147960.db2.gz DCCGTSSTOHDVPS-WOPDTQHZSA-N -1 1 321.425 0.766 20 0 DCADMM O=C(c1c(Cl)ccnc1F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001123654682 768015600 /nfs/dbraw/zinc/01/56/00/768015600.db2.gz ZOWUYCNRTMWYAD-ZETCQYMHSA-N -1 1 312.692 0.601 20 0 DCADMM CC(C)[N@H+]1C[C@@H](F)C[C@@H]1c1nnc(CNC(=O)c2nnc[n-]2)[n-]1 ZINC001070734793 761422292 /nfs/dbraw/zinc/42/22/92/761422292.db2.gz JLHSDSDLFRZBET-DTWKUNHWSA-N -1 1 322.348 0.346 20 0 DCADMM O=C(NC[C@@H]1CNC(=O)CO1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148799089 768038445 /nfs/dbraw/zinc/03/84/45/768038445.db2.gz IJOSEABHJCXVSG-QMMMGPOBSA-N -1 1 318.251 0.656 20 0 DCADMM O=C(NC[C@H]1CNC(=O)CO1)c1ccc2cccnc2c1[O-] ZINC001149326675 768047951 /nfs/dbraw/zinc/04/79/51/768047951.db2.gz LIRXSMKFUNVEEO-SNVBAGLBSA-N -1 1 301.302 0.185 20 0 DCADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC(OCC(=O)N(C)C)C2)c1 ZINC001148996383 768063372 /nfs/dbraw/zinc/06/33/72/768063372.db2.gz FVWYBHXAUIOCRO-UHFFFAOYSA-N -1 1 320.345 0.442 20 0 DCADMM NC(=O)C1(NC(=O)c2cc([O-])c(Br)c(O)c2)CC1 ZINC001148989984 768072987 /nfs/dbraw/zinc/07/29/87/768072987.db2.gz NTQHPXCZJXOWJE-UHFFFAOYSA-N -1 1 315.123 0.608 20 0 DCADMM Cc1cc(NCCN(CCO)C(=O)c2ncccc2[O-])ncn1 ZINC001111465786 762799923 /nfs/dbraw/zinc/79/99/23/762799923.db2.gz OKKIZXJIQGWEMB-UHFFFAOYSA-N -1 1 317.349 0.432 20 0 DCADMM CCCC[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001114206411 762876977 /nfs/dbraw/zinc/87/69/77/762876977.db2.gz KDGLJCYGCNYQTQ-NMKXLXIOSA-N -1 1 321.425 0.481 20 0 DCADMM O=C(C/C=C/c1ccc(F)cc1)NCCNCc1n[nH]c(=O)[n-]1 ZINC001130171451 763162030 /nfs/dbraw/zinc/16/20/30/763162030.db2.gz QLBMOUSVVCWJHR-OWOJBTEDSA-N -1 1 319.340 0.959 20 0 DCADMM CC(C)(C(=O)NCCNCc1n[nH]c(=O)[n-]1)c1cccnc1 ZINC001130632261 763410000 /nfs/dbraw/zinc/41/00/00/763410000.db2.gz QUDPVEJGEHQGJC-UHFFFAOYSA-N -1 1 304.354 0.089 20 0 DCADMM CC[C@@H](C)n1nc(C(=O)NCCNCc2n[nH]c(=O)[n-]2)cc1C ZINC001130645514 763416922 /nfs/dbraw/zinc/41/69/22/763416922.db2.gz NAKMXPLVDDPDQI-SECBINFHSA-N -1 1 321.385 0.506 20 0 DCADMM COc1ccc(C)cc1CC(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001130972687 763590777 /nfs/dbraw/zinc/59/07/77/763590777.db2.gz VOYVRNCDDIRQMM-UHFFFAOYSA-N -1 1 319.365 0.276 20 0 DCADMM CN(C(=O)c1cc(Br)cnc1F)c1nn[n-]n1 ZINC001130972475 763591353 /nfs/dbraw/zinc/59/13/53/763591353.db2.gz ZHFAYNLIQBZISQ-UHFFFAOYSA-N -1 1 301.079 0.773 20 0 DCADMM CC1(C)CC[C@H](CC(=O)NCCNCc2n[nH]c(=O)[n-]2)OC1 ZINC001131507698 763836972 /nfs/dbraw/zinc/83/69/72/763836972.db2.gz AFINDYSBCDHHLX-SNVBAGLBSA-N -1 1 311.386 0.311 20 0 DCADMM C[C@@H]1CC[C@@H](NC(=O)/C=C/C2CC2)CN1Cc1nc(=O)n(C)[n-]1 ZINC001131943538 764142807 /nfs/dbraw/zinc/14/28/07/764142807.db2.gz 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O=C(c1nccn2ccnc12)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000670383958 547072935 /nfs/dbraw/zinc/07/29/35/547072935.db2.gz VSBAHBCISRJRRH-SECBINFHSA-N -1 1 314.305 0.838 20 0 DCADMM O=C(NC[C@@H]1CN2CCN1CCC2)c1cc(F)c([O-])c(F)c1 ZINC000670409720 547080296 /nfs/dbraw/zinc/08/02/96/547080296.db2.gz SORJTUKXVIZATE-LLVKDONJSA-N -1 1 311.332 0.790 20 0 DCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3cncn3C2)co1 ZINC000672157705 547324299 /nfs/dbraw/zinc/32/42/99/547324299.db2.gz HQEDVGNRQIKGBQ-JTQLQIEISA-N -1 1 324.362 0.129 20 0 DCADMM CCOc1cc(Cl)ccc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000675263917 547671523 /nfs/dbraw/zinc/67/15/23/547671523.db2.gz VPSZRJTXLVISAH-UHFFFAOYSA-N -1 1 324.728 0.507 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CCn2cncc2C1 ZINC000677869069 547911897 /nfs/dbraw/zinc/91/18/97/547911897.db2.gz RIGJVVHLENMFJM-OCCSQVGLSA-N -1 1 323.360 0.864 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](CO)CC1CC1 ZINC000678387359 547970538 /nfs/dbraw/zinc/97/05/38/547970538.db2.gz 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CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736410586 598981547 /nfs/dbraw/zinc/98/15/47/598981547.db2.gz YYVIABWLBZLTSB-KOLCDFICSA-N -1 1 302.338 0.901 20 0 DCADMM CCOC(=O)CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000736596346 598997230 /nfs/dbraw/zinc/99/72/30/598997230.db2.gz OOHNLFMJVWKKGH-UHFFFAOYSA-N -1 1 316.321 0.429 20 0 DCADMM CCOC(=O)CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000736596346 598997232 /nfs/dbraw/zinc/99/72/32/598997232.db2.gz OOHNLFMJVWKKGH-UHFFFAOYSA-N -1 1 316.321 0.429 20 0 DCADMM CN(C)c1ncccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736780065 599022460 /nfs/dbraw/zinc/02/24/60/599022460.db2.gz SJNIOMJGOHZJAR-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CN(C)c1ncccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736780065 599022461 /nfs/dbraw/zinc/02/24/61/599022461.db2.gz SJNIOMJGOHZJAR-UHFFFAOYSA-N -1 1 324.348 0.653 20 0 DCADMM CCOC(=O)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736592425 599032991 /nfs/dbraw/zinc/03/29/91/599032991.db2.gz QILMUTFOYCQLHB-UHFFFAOYSA-N -1 1 304.310 0.287 20 0 DCADMM CCOC(=O)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736592425 599032993 /nfs/dbraw/zinc/03/29/93/599032993.db2.gz QILMUTFOYCQLHB-UHFFFAOYSA-N -1 1 304.310 0.287 20 0 DCADMM CC(C)[C@@H](C)Sc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820021083 599098794 /nfs/dbraw/zinc/09/87/94/599098794.db2.gz PCIKTKMGLULNMA-SSDOTTSWSA-N -1 1 310.383 0.401 20 0 DCADMM O=C(NC[C@@H](O)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738038836 599107266 /nfs/dbraw/zinc/10/72/66/599107266.db2.gz KECBHNIWWDYCCT-CYBMUJFWSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(NC[C@@H](O)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738038836 599107269 /nfs/dbraw/zinc/10/72/69/599107269.db2.gz KECBHNIWWDYCCT-CYBMUJFWSA-N -1 1 310.317 0.725 20 0 DCADMM C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(C(=O)[O-])CC1 ZINC000738631296 596924739 /nfs/dbraw/zinc/92/47/39/596924739.db2.gz NMSMTGJPRREZGF-JTQLQIEISA-N -1 1 319.361 0.909 20 0 DCADMM CN1CCN(C)[C@H](CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000387176375 597060843 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COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821653400 606297570 /nfs/dbraw/zinc/29/75/70/606297570.db2.gz AJKOWLWBSQVHLK-JGVFFNPUSA-N -1 1 303.278 0.320 20 0 DCADMM CCC[C@@H](NC(=O)c1sccc1-c1nn[nH]n1)c1nn[n-]n1 ZINC000821022703 606304513 /nfs/dbraw/zinc/30/45/13/606304513.db2.gz TVSCXFMWEDKCJM-SSDOTTSWSA-N -1 1 319.354 0.713 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC000820766272 606431876 /nfs/dbraw/zinc/43/18/76/606431876.db2.gz AXTWJJLSSCQLFM-DTORHVGOSA-N -1 1 308.367 0.538 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC000820766272 606431877 /nfs/dbraw/zinc/43/18/77/606431877.db2.gz AXTWJJLSSCQLFM-DTORHVGOSA-N -1 1 308.367 0.538 20 0 DCADMM OC[C@@H](O)CSc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000823715096 606434975 /nfs/dbraw/zinc/43/49/75/606434975.db2.gz RLSDSIKSYCIDMR-SSDOTTSWSA-N -1 1 304.335 0.255 20 0 DCADMM CCNC(=O)C1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821286008 606438981 /nfs/dbraw/zinc/43/89/81/606438981.db2.gz NQAIRLQWHTZYDL-UHFFFAOYSA-N -1 1 324.348 0.382 20 0 DCADMM CCNC(=O)C1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821286008 606438983 /nfs/dbraw/zinc/43/89/83/606438983.db2.gz NQAIRLQWHTZYDL-UHFFFAOYSA-N -1 1 324.348 0.382 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1COc2ccccc2O1 ZINC000823289070 606532445 /nfs/dbraw/zinc/53/24/45/606532445.db2.gz AEQIYDIRXMHAAW-SNVBAGLBSA-N -1 1 313.277 0.368 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1COc2ccccc2O1 ZINC000823289070 606532447 /nfs/dbraw/zinc/53/24/47/606532447.db2.gz AEQIYDIRXMHAAW-SNVBAGLBSA-N -1 1 313.277 0.368 20 0 DCADMM NC(=O)C1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC000822850295 606565616 /nfs/dbraw/zinc/56/56/16/606565616.db2.gz DMVNYCYUZNJTGU-UHFFFAOYSA-N -1 1 320.378 0.704 20 0 DCADMM NC(=O)C1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC000822850295 606565617 /nfs/dbraw/zinc/56/56/17/606565617.db2.gz DMVNYCYUZNJTGU-UHFFFAOYSA-N -1 1 320.378 0.704 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000820743092 606596652 /nfs/dbraw/zinc/59/66/52/606596652.db2.gz QESCPWZKMYSHOV-HTQZYQBOSA-N -1 1 306.330 0.241 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000820743092 606596654 /nfs/dbraw/zinc/59/66/54/606596654.db2.gz QESCPWZKMYSHOV-HTQZYQBOSA-N -1 1 306.330 0.241 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccccn2)n1 ZINC000822620181 606598076 /nfs/dbraw/zinc/59/80/76/606598076.db2.gz KOABEVAJDIRYJY-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccccn2)n1 ZINC000822620181 606598077 /nfs/dbraw/zinc/59/80/77/606598077.db2.gz KOABEVAJDIRYJY-UHFFFAOYSA-N -1 1 313.325 0.359 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNc2ccc(Cl)c(-c3nnn[n-]3)n2)O1 ZINC000822860055 607118389 /nfs/dbraw/zinc/11/83/89/607118389.db2.gz MOPPALSRUWVQRA-HTRCEHHLSA-N -1 1 323.744 0.360 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNc2ccc(Cl)c(-c3nn[n-]n3)n2)O1 ZINC000822860055 607118390 /nfs/dbraw/zinc/11/83/90/607118390.db2.gz MOPPALSRUWVQRA-HTRCEHHLSA-N -1 1 323.744 0.360 20 0 DCADMM C[C@H](C[C@H]1CCOC1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820235931 607137055 /nfs/dbraw/zinc/13/70/55/607137055.db2.gz VGVIVLBEOWAGBJ-RKDXNWHRSA-N -1 1 320.357 0.537 20 0 DCADMM C[C@H](C[C@H]1CCOC1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820235931 607137056 /nfs/dbraw/zinc/13/70/56/607137056.db2.gz VGVIVLBEOWAGBJ-RKDXNWHRSA-N -1 1 320.357 0.537 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCOC3(CCOCC3)C2)n1 ZINC000823809070 607176203 /nfs/dbraw/zinc/17/62/03/607176203.db2.gz INVOSBHLWXQBJC-SNVBAGLBSA-N -1 1 317.353 0.797 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCOC3(CCOCC3)C2)n1 ZINC000823809070 607176204 /nfs/dbraw/zinc/17/62/04/607176204.db2.gz INVOSBHLWXQBJC-SNVBAGLBSA-N -1 1 317.353 0.797 20 0 DCADMM Cc1occc1CN(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822552445 607210505 /nfs/dbraw/zinc/21/05/05/607210505.db2.gz ALQVBWJROXQDCF-UHFFFAOYSA-N -1 1 302.298 0.018 20 0 DCADMM C[C@H](c1cccnc1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820570755 607210941 /nfs/dbraw/zinc/21/09/41/607210941.db2.gz QOUUBEOMDZIRKL-SECBINFHSA-N -1 1 313.325 0.073 20 0 DCADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821043149 607213411 /nfs/dbraw/zinc/21/34/11/607213411.db2.gz MDSIXJSCARVIJW-MNOVXSKESA-N -1 1 318.385 0.933 20 0 DCADMM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820814126 607216598 /nfs/dbraw/zinc/21/65/98/607216598.db2.gz RVOOKCYNOGWWIV-TVQRCGJNSA-N -1 1 324.348 0.508 20 0 DCADMM Cc1ccc(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822236178 607217429 /nfs/dbraw/zinc/21/74/29/607217429.db2.gz NAYJAYLRRDWEKR-UHFFFAOYSA-N -1 1 312.337 0.126 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC(C1CC1)C1CC1 ZINC000823127277 607220426 /nfs/dbraw/zinc/22/04/26/607220426.db2.gz YRRZQARRZYCVCS-UHFFFAOYSA-N -1 1 302.342 0.011 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCC(F)(F)C1 ZINC000823127320 607225368 /nfs/dbraw/zinc/22/53/68/607225368.db2.gz ZOYCZETUMVPTBC-ZETCQYMHSA-N -1 1 312.284 0.152 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@H]1CSCCS1 ZINC000826395002 607781238 /nfs/dbraw/zinc/78/12/38/607781238.db2.gz IPDKHAOFGXACCQ-LURJTMIESA-N -1 1 311.396 0.524 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C[C@@H]1CSCCS1 ZINC000826395003 607781315 /nfs/dbraw/zinc/78/13/15/607781315.db2.gz IPDKHAOFGXACCQ-ZCFIWIBFSA-N -1 1 311.396 0.524 20 0 DCADMM Cc1ccc(OC[C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826292321 607869221 /nfs/dbraw/zinc/86/92/21/607869221.db2.gz QHNGXZDEBDSWCY-JTQLQIEISA-N -1 1 301.310 0.207 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826365653 607896641 /nfs/dbraw/zinc/89/66/41/607896641.db2.gz XGSPLCKVLLFXCP-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cnnc1[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826365653 607896642 /nfs/dbraw/zinc/89/66/42/607896642.db2.gz XGSPLCKVLLFXCP-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Nc1nc2c(s1)CN(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC000826396319 607896839 /nfs/dbraw/zinc/89/68/39/607896839.db2.gz RVTDUJBMYCSRFZ-UHFFFAOYSA-N -1 1 300.351 0.863 20 0 DCADMM Nc1nc2c(s1)CN(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC000826396319 607896840 /nfs/dbraw/zinc/89/68/40/607896840.db2.gz RVTDUJBMYCSRFZ-UHFFFAOYSA-N -1 1 300.351 0.863 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cn[nH]c1 ZINC000824505500 607960669 /nfs/dbraw/zinc/96/06/69/607960669.db2.gz FDHKINODDZEKQQ-ZCFIWIBFSA-N -1 1 302.302 0.206 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cn[nH]c1 ZINC000824505500 607960670 /nfs/dbraw/zinc/96/06/70/607960670.db2.gz FDHKINODDZEKQQ-ZCFIWIBFSA-N -1 1 302.302 0.206 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1NCCCOC[C@H]1CCOC1 ZINC000826514779 607990763 /nfs/dbraw/zinc/99/07/63/607990763.db2.gz CHQRREPFKODVNI-SNVBAGLBSA-N -1 1 305.342 0.512 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1NCCCOC[C@H]1CCOC1 ZINC000826514779 607990764 /nfs/dbraw/zinc/99/07/64/607990764.db2.gz CHQRREPFKODVNI-SNVBAGLBSA-N -1 1 305.342 0.512 20 0 DCADMM CC1(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)OCCO1 ZINC000824817098 607991004 /nfs/dbraw/zinc/99/10/04/607991004.db2.gz KMYXVSLCTIDIIL-UHFFFAOYSA-N -1 1 317.353 0.636 20 0 DCADMM CC1(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)OCCO1 ZINC000824817098 607991005 /nfs/dbraw/zinc/99/10/05/607991005.db2.gz KMYXVSLCTIDIIL-UHFFFAOYSA-N -1 1 317.353 0.636 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1NCCCOC1CCOCC1 ZINC000826515069 607991546 /nfs/dbraw/zinc/99/15/46/607991546.db2.gz LWUNKICUKYJUMW-UHFFFAOYSA-N -1 1 305.342 0.654 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1NCCCOC1CCOCC1 ZINC000826515069 607991547 /nfs/dbraw/zinc/99/15/47/607991547.db2.gz LWUNKICUKYJUMW-UHFFFAOYSA-N -1 1 305.342 0.654 20 0 DCADMM Cn1c(=O)cccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826355398 607997697 /nfs/dbraw/zinc/99/76/97/607997697.db2.gz XSECSRYYZKWXDV-UHFFFAOYSA-N -1 1 312.289 0.523 20 0 DCADMM O=C(NCc1csc(=O)[nH]1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826443444 608012490 /nfs/dbraw/zinc/01/24/90/608012490.db2.gz PJVSNOHLGNVRIA-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(NCc1csc(=O)[nH]1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826443444 608012491 /nfs/dbraw/zinc/01/24/91/608012491.db2.gz PJVSNOHLGNVRIA-UHFFFAOYSA-N -1 1 303.307 0.354 20 0 DCADMM O=C(O[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826461709 608076765 /nfs/dbraw/zinc/07/67/65/608076765.db2.gz DQJVJCWSDLDQFH-SNVBAGLBSA-N -1 1 314.305 0.182 20 0 DCADMM O=C(O[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826461709 608076766 /nfs/dbraw/zinc/07/67/66/608076766.db2.gz DQJVJCWSDLDQFH-SNVBAGLBSA-N -1 1 314.305 0.182 20 0 DCADMM C[C@@H](CN1CCOCC1)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824420531 608142412 /nfs/dbraw/zinc/14/24/12/608142412.db2.gz MALYMLKFKANBQW-VIFPVBQESA-N -1 1 323.378 0.806 20 0 DCADMM C[C@@H](CN1CCOCC1)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824420531 608142413 /nfs/dbraw/zinc/14/24/13/608142413.db2.gz MALYMLKFKANBQW-VIFPVBQESA-N -1 1 323.378 0.806 20 0 DCADMM CSc1nc2ncnc(-n3cnc(-c4nn[n-]n4)n3)c2s1 ZINC000826231398 608172451 /nfs/dbraw/zinc/17/24/51/608172451.db2.gz JUAORVIOMUEJIP-UHFFFAOYSA-N -1 1 318.351 0.569 20 0 DCADMM CC(C)[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(N)=O ZINC000824199637 608190114 /nfs/dbraw/zinc/19/01/14/608190114.db2.gz KMGZFURYHPGVNV-YFKPBYRVSA-N -1 1 301.763 0.898 20 0 DCADMM CC(C)[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(N)=O ZINC000824199637 608190116 /nfs/dbraw/zinc/19/01/16/608190116.db2.gz KMGZFURYHPGVNV-YFKPBYRVSA-N -1 1 301.763 0.898 20 0 DCADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)S(N)(=O)=O ZINC000824434503 608193537 /nfs/dbraw/zinc/19/35/37/608193537.db2.gz KWTCPOURVIMUPH-GSVOUGTGSA-N -1 1 323.791 0.066 20 0 DCADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)S(N)(=O)=O ZINC000824434503 608193540 /nfs/dbraw/zinc/19/35/40/608193540.db2.gz KWTCPOURVIMUPH-GSVOUGTGSA-N -1 1 323.791 0.066 20 0 DCADMM Cc1cnc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)s1 ZINC000826318778 608219027 /nfs/dbraw/zinc/21/90/27/608219027.db2.gz YPFZHENRPTVMIO-UHFFFAOYSA-N -1 1 303.351 0.853 20 0 DCADMM CC(C)[C@H]1C(=O)NCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824215041 608233865 /nfs/dbraw/zinc/23/38/65/608233865.db2.gz JQKYJUGNQDOBNX-NSHDSACASA-N -1 1 321.772 0.876 20 0 DCADMM CC(C)[C@H]1C(=O)NCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824215041 608233867 /nfs/dbraw/zinc/23/38/67/608233867.db2.gz JQKYJUGNQDOBNX-NSHDSACASA-N -1 1 321.772 0.876 20 0 DCADMM CCn1c(C)nnc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825783138 608254341 /nfs/dbraw/zinc/25/43/41/608254341.db2.gz ZRJRTAGAKXJWQR-UHFFFAOYSA-N -1 1 314.309 0.539 20 0 DCADMM CCn1c(C)nnc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825783138 608254343 /nfs/dbraw/zinc/25/43/43/608254343.db2.gz ZRJRTAGAKXJWQR-UHFFFAOYSA-N -1 1 314.309 0.539 20 0 DCADMM CN(Cc1ccccc1)C(=O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825980878 608401529 /nfs/dbraw/zinc/40/15/29/608401529.db2.gz KASSBYYDNYCLON-UHFFFAOYSA-N -1 1 324.348 0.727 20 0 DCADMM CN(Cc1ccccc1)C(=O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825980878 608401531 /nfs/dbraw/zinc/40/15/31/608401531.db2.gz KASSBYYDNYCLON-UHFFFAOYSA-N -1 1 324.348 0.727 20 0 DCADMM CCCCOCCOCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000825291446 608425849 /nfs/dbraw/zinc/42/58/49/608425849.db2.gz SKOYGPHRSQSBCL-UHFFFAOYSA-N -1 1 307.358 0.902 20 0 DCADMM CCCCOCCOCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000825291446 608425850 /nfs/dbraw/zinc/42/58/50/608425850.db2.gz SKOYGPHRSQSBCL-UHFFFAOYSA-N -1 1 307.358 0.902 20 0 DCADMM c1cc(N2CCO[C@@H]([C@H]3CCCO3)C2)nnc1-c1nnn[n-]1 ZINC000826517318 608431926 /nfs/dbraw/zinc/43/19/26/608431926.db2.gz YPPLRKZKFDBOGA-GHMZBOCLSA-N -1 1 303.326 0.041 20 0 DCADMM c1cc(N2CCO[C@@H]([C@H]3CCCO3)C2)nnc1-c1nn[n-]n1 ZINC000826517318 608431928 /nfs/dbraw/zinc/43/19/28/608431928.db2.gz YPPLRKZKFDBOGA-GHMZBOCLSA-N -1 1 303.326 0.041 20 0 DCADMM NC(=O)[C@H]1CCCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826390057 608434564 /nfs/dbraw/zinc/43/45/64/608434564.db2.gz OVYPPYYHRNHJBU-IUCAKERBSA-N -1 1 302.342 0.503 20 0 DCADMM NC(=O)[C@H]1CCCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826390057 608434566 /nfs/dbraw/zinc/43/45/66/608434566.db2.gz OVYPPYYHRNHJBU-IUCAKERBSA-N -1 1 302.342 0.503 20 0 DCADMM CO[C@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826146629 608473590 /nfs/dbraw/zinc/47/35/90/608473590.db2.gz YSNPPSIDZOMJLO-CABZTGNLSA-N -1 1 302.338 0.807 20 0 DCADMM CO[C@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826146629 608473592 /nfs/dbraw/zinc/47/35/92/608473592.db2.gz YSNPPSIDZOMJLO-CABZTGNLSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1CCOCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824962501 608494147 /nfs/dbraw/zinc/49/41/47/608494147.db2.gz UOYSAFYYGJRBHV-QMMMGPOBSA-N -1 1 306.330 0.243 20 0 DCADMM C[C@H]1CCOCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824962501 608494148 /nfs/dbraw/zinc/49/41/48/608494148.db2.gz UOYSAFYYGJRBHV-QMMMGPOBSA-N -1 1 306.330 0.243 20 0 DCADMM CNc1cc2c(nn1)CCN(Cc1ccc(-c3nnn[n-]3)o1)C2 ZINC000826091005 608684425 /nfs/dbraw/zinc/68/44/25/608684425.db2.gz UNROGNFVRLAILV-UHFFFAOYSA-N -1 1 312.337 0.850 20 0 DCADMM CNc1cc2c(nn1)CCN(Cc1ccc(-c3nn[n-]n3)o1)C2 ZINC000826091005 608684427 /nfs/dbraw/zinc/68/44/27/608684427.db2.gz UNROGNFVRLAILV-UHFFFAOYSA-N -1 1 312.337 0.850 20 0 DCADMM C[C@H]1CS(=O)(=O)CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000825012051 608712830 /nfs/dbraw/zinc/71/28/30/608712830.db2.gz CTUVQYAUJURJHZ-QMMMGPOBSA-N -1 1 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NC(=O)c1ccc(C=CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)o1 ZINC000830904940 671646028 /nfs/dbraw/zinc/64/60/28/671646028.db2.gz BYQSVUGIFLPODB-RNEXMXFGSA-N -1 1 316.321 0.311 20 0 DCADMM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000830957132 671648317 /nfs/dbraw/zinc/64/83/17/671648317.db2.gz HOQKKMLEGLZCFY-ZETCQYMHSA-N -1 1 308.791 0.502 20 0 DCADMM COC[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(N)=O ZINC000830972112 671649101 /nfs/dbraw/zinc/64/91/01/671649101.db2.gz FSEQUQURSTXZEV-SECBINFHSA-N -1 1 316.310 0.351 20 0 DCADMM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831101686 671653412 /nfs/dbraw/zinc/65/34/12/671653412.db2.gz KIBOALCIFRMDLY-YUMQZZPRSA-N -1 1 309.775 0.535 20 0 DCADMM Cn1cc(/C=C\C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000831158574 671656659 /nfs/dbraw/zinc/65/66/59/671656659.db2.gz MXSUFMBNHMUOSH-IHWYPQMZSA-N -1 1 316.283 0.570 20 0 DCADMM C[S@@](=N)(=O)N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000832177779 671707302 /nfs/dbraw/zinc/70/73/02/671707302.db2.gz 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671940860 /nfs/dbraw/zinc/94/08/60/671940860.db2.gz QHMCJIMPGKBXLK-UHFFFAOYSA-N -1 1 317.319 0.298 20 0 DCADMM Cn1ncc(S(=O)(=O)[N-]C2(CCO)CC2)c1C(F)(F)F ZINC000867305144 672041643 /nfs/dbraw/zinc/04/16/43/672041643.db2.gz ZDWIQZQPBAVIPI-UHFFFAOYSA-N -1 1 313.301 0.632 20 0 DCADMM C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)CCO1 ZINC000843016918 672053867 /nfs/dbraw/zinc/05/38/67/672053867.db2.gz YBCLCRGUYARQFA-VXGBXAGGSA-N -1 1 318.439 0.732 20 0 DCADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)/C=C\[C@H]2CCCO2)CCC1 ZINC000843016073 672054601 /nfs/dbraw/zinc/05/46/01/672054601.db2.gz ZJQWNRXVNNWOMR-ZHRWSRJISA-N -1 1 316.423 0.652 20 0 DCADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccc[nH]2)CCC1 ZINC000843016151 672054848 /nfs/dbraw/zinc/05/48/48/672054848.db2.gz QAOCLJWIOKDCPH-VOTSOKGWSA-N -1 1 311.407 0.958 20 0 DCADMM O=C([O-])c1nnc2ccccc2c1N1CCN(CCCO)CC1 ZINC000844209382 672163684 /nfs/dbraw/zinc/16/36/84/672163684.db2.gz RXDDLRVTNRJYRK-UHFFFAOYSA-N -1 1 316.361 0.832 20 0 DCADMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1C[C@H](C)n2ccnc21 ZINC000867356814 672180570 /nfs/dbraw/zinc/18/05/70/672180570.db2.gz FNSSKXKYAWTPDF-ZMFHDSSTSA-N -1 1 306.413 0.841 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)NCCN3CCCC3=O)ccnc1-2 ZINC000844649823 672191932 /nfs/dbraw/zinc/19/19/32/672191932.db2.gz DMWZTBOISPZERX-UHFFFAOYSA-N -1 1 302.338 0.086 20 0 DCADMM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000867379564 672220998 /nfs/dbraw/zinc/22/09/98/672220998.db2.gz RCDGTTLWTWSTOA-MYSGNRETSA-N -1 1 313.375 0.809 20 0 DCADMM O=C(c1ccc2ccncc2c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000845462048 672250254 /nfs/dbraw/zinc/25/02/54/672250254.db2.gz GFFYRSZLOHLDBK-CYBMUJFWSA-N -1 1 310.317 0.962 20 0 DCADMM CCO[N-]C(=O)CNC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000845547119 672259799 /nfs/dbraw/zinc/25/97/99/672259799.db2.gz IFUOIJXOWLFYLF-UHFFFAOYSA-N -1 1 318.337 0.339 20 0 DCADMM CCO[N-]C(=O)CNC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000845547119 672259800 /nfs/dbraw/zinc/25/98/00/672259800.db2.gz IFUOIJXOWLFYLF-UHFFFAOYSA-N -1 1 318.337 0.339 20 0 DCADMM CCO[N-]C(=O)CNC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000845550396 672260329 /nfs/dbraw/zinc/26/03/29/672260329.db2.gz GJQPBMQLRLIAHJ-LLVKDONJSA-N -1 1 314.411 0.718 20 0 DCADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)[N-]OCC(N)=O ZINC000845912929 672282127 /nfs/dbraw/zinc/28/21/27/672282127.db2.gz MAMRTUBYGHPNAD-VHSXEESVSA-N -1 1 315.370 0.603 20 0 DCADMM O=C(CCCc1nn[n-]n1)N1CCn2nc(C3CC3)cc2C1 ZINC000834432788 685360700 /nfs/dbraw/zinc/36/07/00/685360700.db2.gz BLOAGMOSWHWYDG-UHFFFAOYSA-N -1 1 301.354 0.639 20 0 DCADMM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)C1CC1 ZINC000866942087 685383219 /nfs/dbraw/zinc/38/32/19/685383219.db2.gz OWRSZTCXFISUQI-QMMMGPOBSA-N -1 1 320.317 0.980 20 0 DCADMM NC(=O)CN1CCC(NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000144459383 685129110 /nfs/dbraw/zinc/12/91/10/685129110.db2.gz QSRJWCCUSBPRBH-UHFFFAOYSA-N -1 1 311.769 0.725 20 0 DCADMM COCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)c1ncccc1[O-] ZINC000953525053 685725042 /nfs/dbraw/zinc/72/50/42/685725042.db2.gz FZEWGULMJJQMFP-VXGBXAGGSA-N -1 1 321.377 0.933 20 0 DCADMM Cc1nc(C(=O)N2CC(N(C)C(=O)c3ncccc3[O-])C2)c[nH]1 ZINC000954124166 685949071 /nfs/dbraw/zinc/94/90/71/685949071.db2.gz OEMONOJCVNNKLO-UHFFFAOYSA-N -1 1 315.333 0.415 20 0 DCADMM Cc1cnc(CN2CC[C@H]2CNC(=O)c2ncccc2[O-])cn1 ZINC001038184208 694006675 /nfs/dbraw/zinc/00/66/75/694006675.db2.gz QUMCGWSCCBYXRI-ZDUSSCGKSA-N -1 1 313.361 0.890 20 0 DCADMM C[C@@H](c1nncn1C)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001038193151 694009017 /nfs/dbraw/zinc/00/90/17/694009017.db2.gz HYZBQTGUOWNCRJ-WDEREUQCSA-N -1 1 316.365 0.481 20 0 DCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](NC(C)=O)C[C@H]1C ZINC000955745361 686490947 /nfs/dbraw/zinc/49/09/47/686490947.db2.gz GCXXXPUPVZOYEN-APPZFPTMSA-N -1 1 324.337 0.026 20 0 DCADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000956965019 686923705 /nfs/dbraw/zinc/92/37/05/686923705.db2.gz NZQVGLDDNIFPKO-RYUDHWBXSA-N -1 1 307.398 0.045 20 0 DCADMM Cn1[n-]c(CN2CCN(C(=O)C(C3CC3)C3CC3)CC2)nc1=O ZINC000957125393 686970205 /nfs/dbraw/zinc/97/02/05/686970205.db2.gz SWMZDONBHHIMEC-UHFFFAOYSA-N -1 1 319.409 0.189 20 0 DCADMM O=C(c1n[nH]cc1F)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000960115206 688304069 /nfs/dbraw/zinc/30/40/69/688304069.db2.gz IZVBVUDJCTWZPD-QMMMGPOBSA-N -1 1 323.332 0.157 20 0 DCADMM Cc1ncc(C(=O)N2CCC[C@H]2CN(C)Cc2n[nH]c(=O)[n-]2)[nH]1 ZINC000960485403 688391679 /nfs/dbraw/zinc/39/16/79/688391679.db2.gz DQIANTLOTBVMAW-JTQLQIEISA-N -1 1 319.369 0.278 20 0 DCADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21)C1CCC1 ZINC000960524076 688404981 /nfs/dbraw/zinc/40/49/81/688404981.db2.gz XSLHIBJXSDYZJD-PQFRYHKHSA-N -1 1 319.409 0.091 20 0 DCADMM CC(C)=C(F)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC000962435018 688908326 /nfs/dbraw/zinc/90/83/26/688908326.db2.gz NIDJFXJMAZBXLQ-KOLCDFICSA-N -1 1 323.324 0.352 20 0 DCADMM CCC(=O)N[C@H]1COC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC000965568565 689479931 /nfs/dbraw/zinc/47/99/31/689479931.db2.gz FSFLYIOTGHNBIV-SNVBAGLBSA-N -1 1 305.334 0.297 20 0 DCADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000966350372 689733919 /nfs/dbraw/zinc/73/39/19/689733919.db2.gz PHLOIQZHQBPSFK-UWVGGRQHSA-N -1 1 315.333 0.401 20 0 DCADMM COCC(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC000967524596 690020665 /nfs/dbraw/zinc/02/06/65/690020665.db2.gz IWROPFSRTQAIMA-GFCCVEGCSA-N -1 1 321.377 0.887 20 0 DCADMM CCc1nc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)co1 ZINC000968463017 690281683 /nfs/dbraw/zinc/28/16/83/690281683.db2.gz XNBOLUDORKVSJS-MRVPVSSYSA-N -1 1 306.326 0.065 20 0 DCADMM CC(=O)NC[C@H]1CCCCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000968719009 690378215 /nfs/dbraw/zinc/37/82/15/690378215.db2.gz HTUAXIUSIWQJFI-CQSZACIVSA-N -1 1 317.393 0.903 20 0 DCADMM Cc1cccc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c1F ZINC000968763261 690386917 /nfs/dbraw/zinc/38/69/17/690386917.db2.gz VHEIIELZEOVCRR-SNVBAGLBSA-N -1 1 319.340 0.962 20 0 DCADMM CCCn1nccc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000968813615 690396354 /nfs/dbraw/zinc/39/63/54/690396354.db2.gz UJZOPLHHZNPJER-SNVBAGLBSA-N -1 1 319.369 0.121 20 0 DCADMM O=C(CCc1ccsc1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000968918183 690423771 /nfs/dbraw/zinc/42/37/71/690423771.db2.gz UWSBKPGLWNCERY-LLVKDONJSA-N -1 1 321.406 0.895 20 0 DCADMM O=C(NC[C@H]1CCCCCN1CCF)c1n[nH]c(=O)[n-]c1=O ZINC000968936339 690429610 /nfs/dbraw/zinc/42/96/10/690429610.db2.gz DXIGNHAAIPGPJF-SECBINFHSA-N -1 1 313.333 0.227 20 0 DCADMM CC[C@@H](OC)C(=O)N1CC([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001005953166 690547393 /nfs/dbraw/zinc/54/73/93/690547393.db2.gz RPYUWZGTKWDRON-ZWNOBZJWSA-N -1 1 321.377 0.789 20 0 DCADMM Cc1ccoc1C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001010198832 691186387 /nfs/dbraw/zinc/18/63/87/691186387.db2.gz XQTHVHPYZMEMHN-SNVBAGLBSA-N -1 1 305.338 0.014 20 0 DCADMM C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2O)C1 ZINC001010270920 691204219 /nfs/dbraw/zinc/20/42/19/691204219.db2.gz OVXHYGJOTQJYFZ-NEPJUHHUSA-N -1 1 305.378 0.673 20 0 DCADMM O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1ccccc1O ZINC001010269478 691204366 /nfs/dbraw/zinc/20/43/66/691204366.db2.gz NDEQAWYUYAPTFK-GFCCVEGCSA-N -1 1 318.377 0.222 20 0 DCADMM CCc1nnc(CN2CC[C@H](NC(=O)c3ncccc3[O-])C2)o1 ZINC001010733027 691365346 /nfs/dbraw/zinc/36/53/46/691365346.db2.gz ONDBBJYWWUPLEV-JTQLQIEISA-N -1 1 317.349 0.737 20 0 DCADMM CC(C(=O)N[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1)=C1CCC1 ZINC001014375121 692001116 /nfs/dbraw/zinc/00/11/16/692001116.db2.gz JOBMOADVEFKTHI-GFCCVEGCSA-N -1 1 305.382 0.299 20 0 DCADMM CC[C@H](F)CN1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001015808050 692451633 /nfs/dbraw/zinc/45/16/33/692451633.db2.gz OIDVERXKEQXKCK-QWRGUYRKSA-N -1 1 321.356 0.575 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC001017012550 692827410 /nfs/dbraw/zinc/82/74/10/692827410.db2.gz DSNPDWFLULIYQU-LBPRGKRZSA-N -1 1 307.398 0.981 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC001017066941 692837975 /nfs/dbraw/zinc/83/79/75/692837975.db2.gz FASRLXQRRQLPEM-RYUDHWBXSA-N -1 1 323.397 0.217 20 0 DCADMM Cn1[n-]c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CCCC2)nc1=O ZINC001017471428 692921121 /nfs/dbraw/zinc/92/11/21/692921121.db2.gz MAUWSLMKIZRLRX-BETUJISGSA-N -1 1 317.393 0.394 20 0 DCADMM CC(=O)N1CC[C@@H]2OCCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001019813842 693594980 /nfs/dbraw/zinc/59/49/80/693594980.db2.gz MFEXZNRZPWVDPX-YPMHNXCESA-N -1 1 305.334 0.249 20 0 DCADMM CC[C@H](OC)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001020111741 693692395 /nfs/dbraw/zinc/69/23/95/693692395.db2.gz FIALNFCLIJWZBJ-GVXVVHGQSA-N -1 1 321.377 0.931 20 0 DCADMM CCCC(=O)NCC1(O)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001074559170 694907566 /nfs/dbraw/zinc/90/75/66/694907566.db2.gz SPWVEDUOFAVKTJ-UHFFFAOYSA-N -1 1 321.377 0.671 20 0 DCADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)[C@H]1CC1(F)F ZINC001074640718 694914793 /nfs/dbraw/zinc/91/47/93/694914793.db2.gz QVTHXSGHILWRCK-RNJXMRFFSA-N -1 1 301.297 0.245 20 0 DCADMM CO[C@@H](C)CC(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001075873842 694982686 /nfs/dbraw/zinc/98/26/86/694982686.db2.gz FQSLTQOMDWRTKY-QWRGUYRKSA-N -1 1 309.366 0.837 20 0 DCADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1cnns1 ZINC001076244183 695008257 /nfs/dbraw/zinc/00/82/57/695008257.db2.gz LHFZSUFIKWXEPG-QMMMGPOBSA-N -1 1 321.362 0.577 20 0 DCADMM CO[C@@H](C)CC(=O)N[C@@H](C)CCNC(=O)c1ncccc1[O-] ZINC001076244085 695008262 /nfs/dbraw/zinc/00/82/62/695008262.db2.gz HZAJJBNFGURXFG-QWRGUYRKSA-N -1 1 309.366 0.837 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCCOCC1CCC1 ZINC001570658302 1162576601 /nfs/dbraw/zinc/57/66/01/1162576601.db2.gz VEQMLPXUKAGWTR-UHFFFAOYSA-N -1 1 307.350 0.450 20 0 DCADMM CCCCNC(=O)CN1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001670630415 1157472097 /nfs/dbraw/zinc/47/20/97/1157472097.db2.gz QADHTSWUDJMZJX-LBPRGKRZSA-N -1 1 320.393 0.508 20 0 DCADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CC(=O)NC1CC1 ZINC000036782605 1157706434 /nfs/dbraw/zinc/70/64/34/1157706434.db2.gz INZUKBQSNSSRCZ-UHFFFAOYSA-N -1 1 309.800 0.662 20 0 DCADMM CCCSCC(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001754608725 1157806594 /nfs/dbraw/zinc/80/65/94/1157806594.db2.gz ZRRGJHCEVHSRIP-JTQLQIEISA-N -1 1 313.427 0.734 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1cnn2ccccc12 ZINC001691519629 1158161937 /nfs/dbraw/zinc/16/19/37/1158161937.db2.gz KGUYHJRQPSUFEX-UHFFFAOYSA-N -1 1 315.337 0.020 20 0 DCADMM O=C(NCCNC(=O)[C@@H]1CCCO1)c1cnc(C2CC2)[n-]c1=O ZINC001720009714 1158481220 /nfs/dbraw/zinc/48/12/20/1158481220.db2.gz WIAYORDYPGODKT-NSHDSACASA-N -1 1 320.349 0.085 20 0 DCADMM CC(C)N(CCCNC(=O)[C@@H]1CCCO1)Cc1n[nH]c(=O)[n-]1 ZINC001691699459 1158904202 /nfs/dbraw/zinc/90/42/02/1158904202.db2.gz ZUGOOBAWITYQES-NSHDSACASA-N -1 1 311.386 0.406 20 0 DCADMM Cc1nnc(COCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)s1 ZINC001446594665 1159480644 /nfs/dbraw/zinc/48/06/44/1159480644.db2.gz YSABIDSXDMOFHE-SECBINFHSA-N -1 1 323.382 0.282 20 0 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CC[C@@H](C)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576564922 1164393232 /nfs/dbraw/zinc/39/32/32/1164393232.db2.gz UXFHUSVKEPNIGG-ZJUUUORDSA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001576580729 1164404738 /nfs/dbraw/zinc/40/47/38/1164404738.db2.gz CYPQNCOUYPNEDN-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001576580729 1164404750 /nfs/dbraw/zinc/40/47/50/1164404750.db2.gz CYPQNCOUYPNEDN-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576580629 1164404885 /nfs/dbraw/zinc/40/48/85/1164404885.db2.gz BGYXTUPBRWHRGV-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](C)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576580629 1164404892 /nfs/dbraw/zinc/40/48/92/1164404892.db2.gz BGYXTUPBRWHRGV-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@@H](F)C(=O)NC[C@@H](CC)Nc1nccnc1-c1nnn[n-]1 ZINC001576777672 1164461138 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IJPYOTDMAIMHFB-UHFFFAOYSA-N -1 1 323.316 0.964 20 0 DCADMM CO[C@H]1COCC[C@@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001579618137 1165361028 /nfs/dbraw/zinc/36/10/28/1165361028.db2.gz IPVZLNOMIOZPQL-SKDRFNHKSA-N -1 1 318.337 0.043 20 0 DCADMM CO[C@H]1COCC[C@@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001579618137 1165361034 /nfs/dbraw/zinc/36/10/34/1165361034.db2.gz IPVZLNOMIOZPQL-SKDRFNHKSA-N -1 1 318.337 0.043 20 0 DCADMM COCc1nccc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001579840927 1165408823 /nfs/dbraw/zinc/40/88/23/1165408823.db2.gz AABXHOHGURSTIL-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COCc1nccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001579840927 1165408826 /nfs/dbraw/zinc/40/88/26/1165408826.db2.gz AABXHOHGURSTIL-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579850557 1165411445 /nfs/dbraw/zinc/41/14/45/1165411445.db2.gz WKNLZQQYOGSBIO-GHMZBOCLSA-N -1 1 319.325 0.187 20 0 DCADMM CO[C@@H]1CCOC[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579850557 1165411450 /nfs/dbraw/zinc/41/14/50/1165411450.db2.gz WKNLZQQYOGSBIO-GHMZBOCLSA-N -1 1 319.325 0.187 20 0 DCADMM CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001579850046 1165411705 /nfs/dbraw/zinc/41/17/05/1165411705.db2.gz IDVMUOPYPQOFLA-ZYHUDNBSSA-N -1 1 302.338 0.949 20 0 DCADMM CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001579850046 1165411711 /nfs/dbraw/zinc/41/17/11/1165411711.db2.gz IDVMUOPYPQOFLA-ZYHUDNBSSA-N -1 1 302.338 0.949 20 0 DCADMM COc1cc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)ccn1 ZINC001579916105 1165434986 /nfs/dbraw/zinc/43/49/86/1165434986.db2.gz USXMHWXIOYTRLR-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1cc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)ccn1 ZINC001579916105 1165434987 /nfs/dbraw/zinc/43/49/87/1165434987.db2.gz USXMHWXIOYTRLR-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM COc1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)n(C)n1 ZINC001579935054 1165442672 /nfs/dbraw/zinc/44/26/72/1165442672.db2.gz DBNRRBFWORAFGH-UHFFFAOYSA-N -1 1 305.323 0.923 20 0 DCADMM COc1ccc(NC(=O)c2cnncc2[O-])cc1-c1nn[nH]n1 ZINC001580043856 1165484875 /nfs/dbraw/zinc/48/48/75/1165484875.db2.gz PLBXBQOYPBYAIC-UHFFFAOYSA-N -1 1 313.277 0.623 20 0 DCADMM COc1cccc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)n1 ZINC001580070648 1165491861 /nfs/dbraw/zinc/49/18/61/1165491861.db2.gz WOGFKVYTWLWPGU-UHFFFAOYSA-N -1 1 324.344 0.969 20 0 DCADMM COc1ncc(NC(=O)C[C@@H]2COC(=O)C2)cc1-c1nn[n-]n1 ZINC001580133597 1165514095 /nfs/dbraw/zinc/51/40/95/1165514095.db2.gz RJBVLAMPPWWQPT-ZETCQYMHSA-N -1 1 318.293 0.162 20 0 DCADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc[nH]1 ZINC001580293512 1165561367 /nfs/dbraw/zinc/56/13/67/1165561367.db2.gz FKLYGFKANFQIFC-QMMMGPOBSA-N -1 1 313.325 0.215 20 0 DCADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc[nH]1 ZINC001580293512 1165561372 /nfs/dbraw/zinc/56/13/72/1165561372.db2.gz FKLYGFKANFQIFC-QMMMGPOBSA-N -1 1 313.325 0.215 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@H]1NCCc2occc21 ZINC001580595052 1165648510 /nfs/dbraw/zinc/64/85/10/1165648510.db2.gz XWRQTAARZJZYQI-KGLIPLIRSA-N -1 1 324.344 0.885 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@H](C)[C@@H]1CO ZINC001580597561 1165650043 /nfs/dbraw/zinc/65/00/43/1165650043.db2.gz JFVABSMHSYFTKP-XVKPBYJWSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC[C@@H]1CCOC1 ZINC001580605753 1165654472 /nfs/dbraw/zinc/65/44/72/1165654472.db2.gz HPKKFJJVRKGYGN-SECBINFHSA-N -1 1 318.337 0.432 20 0 DCADMM Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC[C@@H](O)c1cnc[nH]1 ZINC001580621478 1165661030 /nfs/dbraw/zinc/66/10/30/1165661030.db2.gz ZAZXXAOIUKLOHK-GFCCVEGCSA-N -1 1 313.321 0.362 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H](C)CNC(=O)C2CC2)n1 ZINC001580630071 1165667179 /nfs/dbraw/zinc/66/71/79/1165667179.db2.gz NIQQEKZJNSTLSI-SECBINFHSA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H](C)CNC(=O)C2CC2)n1 ZINC001580630071 1165667183 /nfs/dbraw/zinc/66/71/83/1165667183.db2.gz NIQQEKZJNSTLSI-SECBINFHSA-N -1 1 316.369 0.316 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H](C)NC(=O)C(C)C)n1 ZINC001580738348 1165706811 /nfs/dbraw/zinc/70/68/11/1165706811.db2.gz ARGPNNYJQIHFCT-SECBINFHSA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H](C)NC(=O)C(C)C)n1 ZINC001580738348 1165706816 /nfs/dbraw/zinc/70/68/16/1165706816.db2.gz ARGPNNYJQIHFCT-SECBINFHSA-N -1 1 318.385 0.928 20 0 DCADMM Cc1cccc(C)c1NC(=O)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001581234911 1165803364 /nfs/dbraw/zinc/80/33/64/1165803364.db2.gz LUCVQSMKRUKIHL-UHFFFAOYSA-N -1 1 324.348 0.746 20 0 DCADMM Cc1nc(NCCc2cccc(C(N)=O)c2)cc(-c2nnn[n-]2)n1 ZINC001581524251 1165839339 /nfs/dbraw/zinc/83/93/39/1165839339.db2.gz WTXOHRVBPFDVBW-UHFFFAOYSA-N -1 1 324.348 0.719 20 0 DCADMM Cc1nc(NCCc2cccc(C(N)=O)c2)cc(-c2nn[n-]n2)n1 ZINC001581524251 1165839347 /nfs/dbraw/zinc/83/93/47/1165839347.db2.gz WTXOHRVBPFDVBW-UHFFFAOYSA-N -1 1 324.348 0.719 20 0 DCADMM Cc1ncc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1C(N)=O ZINC001581551503 1165840360 /nfs/dbraw/zinc/84/03/60/1165840360.db2.gz PWXBWKNPFKNYQL-UHFFFAOYSA-N -1 1 313.277 0.514 20 0 DCADMM Cc1ncc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1C(N)=O ZINC001581551503 1165840369 /nfs/dbraw/zinc/84/03/69/1165840369.db2.gz PWXBWKNPFKNYQL-UHFFFAOYSA-N -1 1 313.277 0.514 20 0 DCADMM Cc1ncc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)o1 ZINC001581549703 1165841889 /nfs/dbraw/zinc/84/18/89/1165841889.db2.gz LXRQSJAAFWWVKT-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1nccnc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001581565865 1165843610 /nfs/dbraw/zinc/84/36/10/1165843610.db2.gz ALDXRZBTCUYBHX-SECBINFHSA-N -1 1 310.321 0.851 20 0 DCADMM Cc1nccnc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001581565865 1165843617 /nfs/dbraw/zinc/84/36/17/1165843617.db2.gz ALDXRZBTCUYBHX-SECBINFHSA-N -1 1 310.321 0.851 20 0 DCADMM Cc1nn(CC(F)F)cc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001581603538 1165849679 /nfs/dbraw/zinc/84/96/79/1165849679.db2.gz ACEBWOUOEBIIOS-UHFFFAOYSA-N -1 1 323.267 0.104 20 0 DCADMM Cc1nnc(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC001581608783 1165850154 /nfs/dbraw/zinc/85/01/54/1165850154.db2.gz OXKVLMSLXRFAEB-UHFFFAOYSA-N -1 1 316.350 0.281 20 0 DCADMM Cc1nnc(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC001581608783 1165850160 /nfs/dbraw/zinc/85/01/60/1165850160.db2.gz OXKVLMSLXRFAEB-UHFFFAOYSA-N -1 1 316.350 0.281 20 0 DCADMM Cc1nn(CC(=O)c2ccsc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001581603708 1165851138 /nfs/dbraw/zinc/85/11/38/1165851138.db2.gz GOAACKKQYGVRLF-UHFFFAOYSA-N -1 1 316.346 0.985 20 0 DCADMM Cc1nsc(NC(=O)NCc2nccn2C)c1-c1nnn[n-]1 ZINC001581686954 1165859202 /nfs/dbraw/zinc/85/92/02/1165859202.db2.gz WVJYWTFQWXPUTJ-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1nsc(NC(=O)NCc2nccn2C)c1-c1nn[n-]n1 ZINC001581686954 1165859210 /nfs/dbraw/zinc/85/92/10/1165859210.db2.gz WVJYWTFQWXPUTJ-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(CO)ccn1 ZINC001581727135 1165861919 /nfs/dbraw/zinc/86/19/19/1165861919.db2.gz KNJAHAWRKBWAON-UHFFFAOYSA-N -1 1 300.278 0.908 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(CO)ccn1 ZINC001581727135 1165861929 /nfs/dbraw/zinc/86/19/29/1165861929.db2.gz KNJAHAWRKBWAON-UHFFFAOYSA-N -1 1 300.278 0.908 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC001581726943 1165862297 /nfs/dbraw/zinc/86/22/97/1165862297.db2.gz BOYCPQNDSUWSGL-YFKPBYRVSA-N -1 1 318.297 0.093 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC001581726943 1165862304 /nfs/dbraw/zinc/86/23/04/1165862304.db2.gz BOYCPQNDSUWSGL-YFKPBYRVSA-N -1 1 318.297 0.093 20 0 DCADMM Cn1c(=O)c2ccccc2n1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001581748670 1165865652 /nfs/dbraw/zinc/86/56/52/1165865652.db2.gz ORURMFCYENGWDU-UHFFFAOYSA-N -1 1 321.300 0.604 20 0 DCADMM Cn1c(=O)c2ccccc2n1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001581748670 1165865653 /nfs/dbraw/zinc/86/56/53/1165865653.db2.gz ORURMFCYENGWDU-UHFFFAOYSA-N -1 1 321.300 0.604 20 0 DCADMM Cn1c(=O)[nH]c(NCc2ccccc2F)c(-c2nn[n-]n2)c1=O ZINC001581747612 1165865891 /nfs/dbraw/zinc/86/58/91/1165865891.db2.gz RJMMVVOSKQHJNK-UHFFFAOYSA-N -1 1 317.284 0.417 20 0 DCADMM Cn1cc(COC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)nn1 ZINC001581771188 1165872590 /nfs/dbraw/zinc/87/25/90/1165872590.db2.gz DQYYSRVWODMWRY-UHFFFAOYSA-N -1 1 320.700 0.401 20 0 DCADMM Cn1cc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1C(N)=O ZINC001581775437 1165874649 /nfs/dbraw/zinc/87/46/49/1165874649.db2.gz XCERDBCVHPQMAT-UHFFFAOYSA-N -1 1 317.334 0.618 20 0 DCADMM Cn1cc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1C(N)=O ZINC001581775437 1165874654 /nfs/dbraw/zinc/87/46/54/1165874654.db2.gz XCERDBCVHPQMAT-UHFFFAOYSA-N -1 1 317.334 0.618 20 0 DCADMM NC(=O)c1csc(NC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001581906241 1165908468 /nfs/dbraw/zinc/90/84/68/1165908468.db2.gz LPIMPNSPROCZGM-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM NC(=O)c1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001581904723 1165908917 /nfs/dbraw/zinc/90/89/17/1165908917.db2.gz UTYJRLNZFCHYIV-UHFFFAOYSA-N -1 1 323.316 0.542 20 0 DCADMM NC(=O)c1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001581904723 1165908924 /nfs/dbraw/zinc/90/89/24/1165908924.db2.gz UTYJRLNZFCHYIV-UHFFFAOYSA-N -1 1 323.316 0.542 20 0 DCADMM O=C(C1CC1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001581923433 1165915673 /nfs/dbraw/zinc/91/56/73/1165915673.db2.gz UCQCQNXETNXCHV-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(C1CC1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001581923433 1165915678 /nfs/dbraw/zinc/91/56/78/1165915678.db2.gz UCQCQNXETNXCHV-SNVBAGLBSA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CC1CC1)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001581969861 1165927556 /nfs/dbraw/zinc/92/75/56/1165927556.db2.gz IVQXOLOSWCBVMR-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(CC1CC1)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001581969861 1165927560 /nfs/dbraw/zinc/92/75/60/1165927560.db2.gz IVQXOLOSWCBVMR-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(CN1CCc2ccccc21)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582106854 1165957557 /nfs/dbraw/zinc/95/75/57/1165957557.db2.gz VXEDQPAPZSSMIY-UHFFFAOYSA-N -1 1 310.321 0.591 20 0 DCADMM O=C(CN1CCc2ccccc21)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582106854 1165957566 /nfs/dbraw/zinc/95/75/66/1165957566.db2.gz VXEDQPAPZSSMIY-UHFFFAOYSA-N -1 1 310.321 0.591 20 0 DCADMM O=C(COc1ccc(F)c(F)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582127501 1165963094 /nfs/dbraw/zinc/96/30/94/1165963094.db2.gz RAFDFHAXWUYSKS-UHFFFAOYSA-N -1 1 321.247 0.886 20 0 DCADMM O=C(COc1ccc(F)c(F)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582127501 1165963097 /nfs/dbraw/zinc/96/30/97/1165963097.db2.gz RAFDFHAXWUYSKS-UHFFFAOYSA-N -1 1 321.247 0.886 20 0 DCADMM O=C(NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001582259881 1165992943 /nfs/dbraw/zinc/99/29/43/1165992943.db2.gz QAHUNGIEDHONSJ-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001582259881 1165992944 /nfs/dbraw/zinc/99/29/44/1165992944.db2.gz QAHUNGIEDHONSJ-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001582299981 1165998131 /nfs/dbraw/zinc/99/81/31/1165998131.db2.gz WHVLHGTVSOLNTC-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001582299981 1165998139 /nfs/dbraw/zinc/99/81/39/1165998139.db2.gz WHVLHGTVSOLNTC-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccsc1-c1nnn[n-]1 ZINC001582490382 1166026746 /nfs/dbraw/zinc/02/67/46/1166026746.db2.gz LZDHAXSMNOYONI-WEDXCCLWSA-N -1 1 321.362 0.462 20 0 DCADMM O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccsc1-c1nn[n-]n1 ZINC001582490382 1166026758 /nfs/dbraw/zinc/02/67/58/1166026758.db2.gz LZDHAXSMNOYONI-WEDXCCLWSA-N -1 1 321.362 0.462 20 0 DCADMM O=C(NCCCNc1cnc(-c2nnn[n-]2)cn1)c1ccoc1 ZINC001582506801 1166029475 /nfs/dbraw/zinc/02/94/75/1166029475.db2.gz BQTRVOPNRXMXDY-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCCNc1cnc(-c2nn[n-]n2)cn1)c1ccoc1 ZINC001582506801 1166029480 /nfs/dbraw/zinc/02/94/80/1166029480.db2.gz BQTRVOPNRXMXDY-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001582522433 1166031317 /nfs/dbraw/zinc/03/13/17/1166031317.db2.gz ZLTPIHANECKRGD-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001582522433 1166031324 /nfs/dbraw/zinc/03/13/24/1166031324.db2.gz ZLTPIHANECKRGD-UHFFFAOYSA-N -1 1 300.282 0.092 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)C1=CCCC1 ZINC001582523781 1166032776 /nfs/dbraw/zinc/03/27/76/1166032776.db2.gz IRDYBPAMFYUKTJ-UHFFFAOYSA-N -1 1 300.326 0.295 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)C1=CCCC1 ZINC001582523781 1166032784 /nfs/dbraw/zinc/03/27/84/1166032784.db2.gz IRDYBPAMFYUKTJ-UHFFFAOYSA-N -1 1 300.326 0.295 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1ccc[n+]([O-])c1 ZINC001582549978 1166038814 /nfs/dbraw/zinc/03/88/14/1166038814.db2.gz OEYHDEOPHYMQFH-UHFFFAOYSA-N -1 1 317.334 0.883 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1CC[C@@H](O)C1 ZINC001582550451 1166040150 /nfs/dbraw/zinc/04/01/50/1166040150.db2.gz XPZVCMUCTDXNPL-RKDXNWHRSA-N -1 1 322.394 0.888 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1=C[S@](=O)CCC1 ZINC001582555067 1166041097 /nfs/dbraw/zinc/04/10/97/1166041097.db2.gz RFRAHQLPDYJHFK-JOCHJYFZSA-N -1 1 318.362 0.304 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1=C[S@](=O)CCC1 ZINC001582555067 1166041103 /nfs/dbraw/zinc/04/11/03/1166041103.db2.gz RFRAHQLPDYJHFK-JOCHJYFZSA-N -1 1 318.362 0.304 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cnc2n[nH]cc2c1 ZINC001582554742 1166042564 /nfs/dbraw/zinc/04/25/64/1166042564.db2.gz SNQSXJFSLYOCRF-UHFFFAOYSA-N -1 1 321.304 0.463 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cnc2n[nH]cc2c1 ZINC001582554742 1166042571 /nfs/dbraw/zinc/04/25/71/1166042571.db2.gz SNQSXJFSLYOCRF-UHFFFAOYSA-N -1 1 321.304 0.463 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc(CO)cc1 ZINC001582558745 1166045075 /nfs/dbraw/zinc/04/50/75/1166045075.db2.gz HKXYSSVRTKMGAM-UHFFFAOYSA-N -1 1 316.346 0.746 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc(CO)cc1 ZINC001582558745 1166045081 /nfs/dbraw/zinc/04/50/81/1166045081.db2.gz HKXYSSVRTKMGAM-UHFFFAOYSA-N -1 1 316.346 0.746 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cncc(Cl)n1 ZINC001582560301 1166045817 /nfs/dbraw/zinc/04/58/17/1166045817.db2.gz BHSYAXWJGZREIM-UHFFFAOYSA-N -1 1 322.741 0.697 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cncc(Cl)n1 ZINC001582560301 1166045824 /nfs/dbraw/zinc/04/58/24/1166045824.db2.gz BHSYAXWJGZREIM-UHFFFAOYSA-N -1 1 322.741 0.697 20 0 DCADMM O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(-c2nnn[n-]2)nc1 ZINC001582564540 1166046749 /nfs/dbraw/zinc/04/67/49/1166046749.db2.gz UAUBSPRBHICRHC-SCZZXKLOSA-N -1 1 324.291 0.540 20 0 DCADMM O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(-c2nn[n-]n2)nc1 ZINC001582564540 1166046755 /nfs/dbraw/zinc/04/67/55/1166046755.db2.gz UAUBSPRBHICRHC-SCZZXKLOSA-N -1 1 324.291 0.540 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001582744777 1166074710 /nfs/dbraw/zinc/07/47/10/1166074710.db2.gz HKKOIWUIYBVOOD-VHSXEESVSA-N -1 1 321.362 0.558 20 0 DCADMM O=C1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)Oc2ccccc21 ZINC001582760120 1166076252 /nfs/dbraw/zinc/07/62/52/1166076252.db2.gz LMRXWYVYMUNWBU-SECBINFHSA-N -1 1 323.316 0.525 20 0 DCADMM O=C1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1c1ccccc1 ZINC001582760166 1166077632 /nfs/dbraw/zinc/07/76/32/1166077632.db2.gz MVWLKGMGXJTPNM-JTQLQIEISA-N -1 1 322.332 0.296 20 0 DCADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001582806750 1166085242 /nfs/dbraw/zinc/08/52/42/1166085242.db2.gz IPKHVDKPOGFEEJ-SWLSCSKDSA-N -1 1 317.349 0.757 20 0 DCADMM O[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@H]1Oc1ccccc1 ZINC001582813571 1166095135 /nfs/dbraw/zinc/09/51/35/1166095135.db2.gz OWUXNBQVCHEEQD-HUUCEWRRSA-N -1 1 324.344 0.890 20 0 DCADMM O[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@H]1Oc1ccccc1 ZINC001582813571 1166095143 /nfs/dbraw/zinc/09/51/43/1166095143.db2.gz OWUXNBQVCHEEQD-HUUCEWRRSA-N -1 1 324.344 0.890 20 0 DCADMM O=C(NCCCN1CCOC1=O)c1cnc(C2CC2)[n-]c1=O ZINC001584792320 1166367213 /nfs/dbraw/zinc/36/72/13/1166367213.db2.gz HPUNNVZAOAMJBL-UHFFFAOYSA-N -1 1 306.322 0.632 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ns[nH]c1=O ZINC001586104826 1166478143 /nfs/dbraw/zinc/47/81/43/1166478143.db2.gz CNPQAVUXGYZFQQ-ZETCQYMHSA-N -1 1 303.307 0.276 20 0 DCADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccc(=O)[nH]n1 ZINC001586304226 1166493959 /nfs/dbraw/zinc/49/39/59/1166493959.db2.gz DXOPAANTOALPAU-UHFFFAOYSA-N -1 1 313.277 0.527 20 0 DCADMM Cn1cc([C@@H](O)CNC(=O)c2ccc3n[n-]c(=S)n3c2)cn1 ZINC001588251110 1166518926 /nfs/dbraw/zinc/51/89/26/1166518926.db2.gz XQUDSGBRIXBIAK-JTQLQIEISA-N -1 1 318.362 0.215 20 0 DCADMM C=CC(=O)NCCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001588466783 1166557645 /nfs/dbraw/zinc/55/76/45/1166557645.db2.gz NXSCKFIQKRCJIY-UHFFFAOYSA-N -1 1 304.285 0.038 20 0 DCADMM C=CC(=O)NCCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001588466783 1166557646 /nfs/dbraw/zinc/55/76/46/1166557646.db2.gz NXSCKFIQKRCJIY-UHFFFAOYSA-N -1 1 304.285 0.038 20 0 DCADMM CC(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001588811563 1166594382 /nfs/dbraw/zinc/59/43/82/1166594382.db2.gz CQPGOMJGTCXLOM-UHFFFAOYSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001588811563 1166594389 /nfs/dbraw/zinc/59/43/89/1166594389.db2.gz CQPGOMJGTCXLOM-UHFFFAOYSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588809947 1166595340 /nfs/dbraw/zinc/59/53/40/1166595340.db2.gz OWSNAEIZAXNVOS-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588809947 1166595348 /nfs/dbraw/zinc/59/53/48/1166595348.db2.gz OWSNAEIZAXNVOS-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CCCC[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001588818403 1166597710 /nfs/dbraw/zinc/59/77/10/1166597710.db2.gz HRQFRDLMGAQUJC-NSHDSACASA-N -1 1 319.321 0.904 20 0 DCADMM CC(=O)N1CCCC[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001588818403 1166597713 /nfs/dbraw/zinc/59/77/13/1166597713.db2.gz HRQFRDLMGAQUJC-NSHDSACASA-N -1 1 319.321 0.904 20 0 DCADMM CC(=O)N1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588819349 1166598573 /nfs/dbraw/zinc/59/85/73/1166598573.db2.gz LFARARHFVYASJM-UHFFFAOYSA-N -1 1 302.342 0.024 20 0 DCADMM CC(=O)N1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588819349 1166598579 /nfs/dbraw/zinc/59/85/79/1166598579.db2.gz LFARARHFVYASJM-UHFFFAOYSA-N -1 1 302.342 0.024 20 0 DCADMM CC(=O)N1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001588819350 1166598732 /nfs/dbraw/zinc/59/87/32/1166598732.db2.gz LJBBVUHVLYDGRW-UHFFFAOYSA-N -1 1 304.310 0.154 20 0 DCADMM CC(=O)N1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001588819350 1166598750 /nfs/dbraw/zinc/59/87/50/1166598750.db2.gz LJBBVUHVLYDGRW-UHFFFAOYSA-N -1 1 304.310 0.154 20 0 DCADMM CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588828224 1166600200 /nfs/dbraw/zinc/60/02/00/1166600200.db2.gz XYGBZYXCUMSSNL-SECBINFHSA-N -1 1 319.350 0.122 20 0 DCADMM CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588828224 1166600205 /nfs/dbraw/zinc/60/02/05/1166600205.db2.gz XYGBZYXCUMSSNL-SECBINFHSA-N -1 1 319.350 0.122 20 0 DCADMM CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001588840179 1166605579 /nfs/dbraw/zinc/60/55/79/1166605579.db2.gz PBQYRLOSICOINV-FGWVZKOKSA-N -1 1 314.353 0.293 20 0 DCADMM CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001588840179 1166605585 /nfs/dbraw/zinc/60/55/85/1166605585.db2.gz PBQYRLOSICOINV-FGWVZKOKSA-N -1 1 314.353 0.293 20 0 DCADMM CC(=O)NCCCCCn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001588862178 1166611630 /nfs/dbraw/zinc/61/16/30/1166611630.db2.gz PJZJZWJHXMECGU-UHFFFAOYSA-N -1 1 304.354 0.643 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1CCC(C)(C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588972408 1166624847 /nfs/dbraw/zinc/62/48/47/1166624847.db2.gz KAOCOTTVWXCGJB-DTWKUNHWSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@H](C(=O)NC1CC2(CSC2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588973170 1166625062 /nfs/dbraw/zinc/62/50/62/1166625062.db2.gz OXRAUOKDVHEGDT-SSDOTTSWSA-N -1 1 320.382 0.031 20 0 DCADMM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001588966355 1166625288 /nfs/dbraw/zinc/62/52/88/1166625288.db2.gz YSGUUSWOJQWDKQ-QMMMGPOBSA-N -1 1 320.353 0.835 20 0 DCADMM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001588966355 1166625292 /nfs/dbraw/zinc/62/52/92/1166625292.db2.gz YSGUUSWOJQWDKQ-QMMMGPOBSA-N -1 1 320.353 0.835 20 0 DCADMM CC(C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1)=C1CCC1 ZINC001588992575 1166625759 /nfs/dbraw/zinc/62/57/59/1166625759.db2.gz VSOIHLFUWSKKHK-UHFFFAOYSA-N -1 1 314.353 0.685 20 0 DCADMM CC(C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1)=C1CCC1 ZINC001588992575 1166625767 /nfs/dbraw/zinc/62/57/67/1166625767.db2.gz VSOIHLFUWSKKHK-UHFFFAOYSA-N -1 1 314.353 0.685 20 0 DCADMM C[C@H](C(=O)Nc1cccc(CO)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589018885 1166629592 /nfs/dbraw/zinc/62/95/92/1166629592.db2.gz SHRWMVGTKHYNCP-MRVPVSSYSA-N -1 1 314.309 0.150 20 0 DCADMM C[C@@H](C(=O)OC[C@@H]1C[C@H]1C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029849 1166630731 /nfs/dbraw/zinc/63/07/31/1166630731.db2.gz HOFLGSQGPAKGTO-HGNGGELXSA-N -1 1 303.326 0.609 20 0 DCADMM C[C@H](C(=O)OCCC[C@@H]1CCOC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028657 1166630925 /nfs/dbraw/zinc/63/09/25/1166630925.db2.gz XSLSCEXURJQDHH-NXEZZACHSA-N -1 1 321.341 0.379 20 0 DCADMM C[C@@H](C(=O)OCc1cscn1)n1cnc(-c2nn[n-]n2)n1 ZINC001589032780 1166631044 /nfs/dbraw/zinc/63/10/44/1166631044.db2.gz RDWFVNGUGYZKQW-LURJTMIESA-N -1 1 306.311 0.219 20 0 DCADMM C[C@@H](C(=O)OCc1ccnc(F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589033669 1166631110 /nfs/dbraw/zinc/63/11/10/1166631110.db2.gz ZRRMWKPPPSFMGW-ZETCQYMHSA-N -1 1 318.272 0.297 20 0 DCADMM CC(C)(C)[C@H]1NC(=O)N(Cc2ccc(-c3nnn[n-]3)o2)C1=O ZINC001589106632 1166635506 /nfs/dbraw/zinc/63/55/06/1166635506.db2.gz JJXZYMNEMXQZMV-VIFPVBQESA-N -1 1 304.310 0.926 20 0 DCADMM CC(C)(C)[C@H]1NC(=O)N(Cc2ccc(-c3nn[n-]n3)o2)C1=O ZINC001589106632 1166635512 /nfs/dbraw/zinc/63/55/12/1166635512.db2.gz JJXZYMNEMXQZMV-VIFPVBQESA-N -1 1 304.310 0.926 20 0 DCADMM CC(C)(C)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C1=O ZINC001589137361 1166637671 /nfs/dbraw/zinc/63/76/71/1166637671.db2.gz ZJAHGGDBKACSNQ-MRVPVSSYSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(C)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C1=O ZINC001589137361 1166637674 /nfs/dbraw/zinc/63/76/74/1166637674.db2.gz ZJAHGGDBKACSNQ-MRVPVSSYSA-N -1 1 302.342 0.468 20 0 DCADMM CC(C)(C)OC(=O)[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001589189741 1166639688 /nfs/dbraw/zinc/63/96/88/1166639688.db2.gz YQESSLWNILVIFG-SNVBAGLBSA-N -1 1 317.353 0.967 20 0 DCADMM CC(C)(C)OC(=O)[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001589189741 1166639694 /nfs/dbraw/zinc/63/96/94/1166639694.db2.gz YQESSLWNILVIFG-SNVBAGLBSA-N -1 1 317.353 0.967 20 0 DCADMM CC(C)(C)n1nnc(CCOc2cnc(-c3nn[n-]n3)nc2)n1 ZINC001589264436 1166641951 /nfs/dbraw/zinc/64/19/51/1166641951.db2.gz STZBXEJCRGKSDN-UHFFFAOYSA-N -1 1 316.329 0.020 20 0 DCADMM CC(C)C[C@@H](C)N(C)C(=O)Cn1cncc(-c2nn[n-]n2)c1=O ZINC001589550426 1166667776 /nfs/dbraw/zinc/66/77/76/1166667776.db2.gz IDVJLCQADIFBPG-SNVBAGLBSA-N -1 1 319.369 0.316 20 0 DCADMM CC(C)CCO[C@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589607291 1166667815 /nfs/dbraw/zinc/66/78/15/1166667815.db2.gz REEBMZKLQPHVFF-SECBINFHSA-N -1 1 307.358 0.990 20 0 DCADMM CC(C)CCO[C@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589607291 1166667818 /nfs/dbraw/zinc/66/78/18/1166667818.db2.gz REEBMZKLQPHVFF-SECBINFHSA-N -1 1 307.358 0.990 20 0 DCADMM CC(C)NC(=O)NCCOC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589724171 1166679738 /nfs/dbraw/zinc/67/97/38/1166679738.db2.gz BGLSHKOLIWWRPF-UHFFFAOYSA-N -1 1 319.325 0.126 20 0 DCADMM CC(C)NC(=O)NCCOC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589724171 1166679745 /nfs/dbraw/zinc/67/97/45/1166679745.db2.gz BGLSHKOLIWWRPF-UHFFFAOYSA-N -1 1 319.325 0.126 20 0 DCADMM CC(C)SCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001589761427 1166683882 /nfs/dbraw/zinc/68/38/82/1166683882.db2.gz PYSSJPCACAUADD-UHFFFAOYSA-N -1 1 310.387 0.863 20 0 DCADMM CC(C)SCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001589761427 1166683884 /nfs/dbraw/zinc/68/38/84/1166683884.db2.gz PYSSJPCACAUADD-UHFFFAOYSA-N -1 1 310.387 0.863 20 0 DCADMM CC(C)c1nnc(CNCc2nc(-c3nn[n-]n3)cs2)[nH]1 ZINC001589779155 1166685564 /nfs/dbraw/zinc/68/55/64/1166685564.db2.gz YIDIMJHFDHPXML-UHFFFAOYSA-N -1 1 305.371 0.855 20 0 DCADMM C[C@@H](CN1CCOCC1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589847656 1166696384 /nfs/dbraw/zinc/69/63/84/1166696384.db2.gz JRGPKJUWHKWTEN-VIFPVBQESA-N -1 1 322.394 0.379 20 0 DCADMM C[C@@H](CN1CCOCC1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589847656 1166696391 /nfs/dbraw/zinc/69/63/91/1166696391.db2.gz JRGPKJUWHKWTEN-VIFPVBQESA-N -1 1 322.394 0.379 20 0 DCADMM C[C@@H](CO)NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589881702 1166705219 /nfs/dbraw/zinc/70/52/19/1166705219.db2.gz BIIRVWRWGXAQKT-VKHMYHEASA-N -1 1 303.735 0.479 20 0 DCADMM C[C@H](F)CCNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001589912769 1166717882 /nfs/dbraw/zinc/71/78/82/1166717882.db2.gz ZKYZNTRHCNJJSG-ZETCQYMHSA-N -1 1 300.319 0.288 20 0 DCADMM C[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)C[C@H](C)O ZINC001589994970 1166739867 /nfs/dbraw/zinc/73/98/67/1166739867.db2.gz AUVNVCLKJSMQPN-BDAKNGLRSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)C[C@H](C)O ZINC001589994970 1166739871 /nfs/dbraw/zinc/73/98/71/1166739871.db2.gz AUVNVCLKJSMQPN-BDAKNGLRSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@H](O)[C@@H]1CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001589995613 1166741775 /nfs/dbraw/zinc/74/17/75/1166741775.db2.gz MVFSDBGXSWIPDT-JGVFFNPUSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@H](O)[C@@H]1CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001589995613 1166741782 /nfs/dbraw/zinc/74/17/82/1166741782.db2.gz MVFSDBGXSWIPDT-JGVFFNPUSA-N -1 1 323.382 0.236 20 0 DCADMM C[C@H](O)[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001589994531 1166741793 /nfs/dbraw/zinc/74/17/93/1166741793.db2.gz HCVGYAFHIKTSIP-WPRPVWTQSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@H](O)[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001589994531 1166741802 /nfs/dbraw/zinc/74/18/02/1166741802.db2.gz HCVGYAFHIKTSIP-WPRPVWTQSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@]1(C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCC(=O)NC1 ZINC001590074623 1166765147 /nfs/dbraw/zinc/76/51/47/1166765147.db2.gz VTCSLXFKCQYLGQ-CYBMUJFWSA-N -1 1 321.362 0.888 20 0 DCADMM C[C@@]1(C(F)F)CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCO1 ZINC001590072520 1166765748 /nfs/dbraw/zinc/76/57/48/1166765748.db2.gz GFNZWONUVPJHST-LBPRGKRZSA-N -1 1 313.264 0.956 20 0 DCADMM C[C@@]1(C(F)F)CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCO1 ZINC001590072520 1166765755 /nfs/dbraw/zinc/76/57/55/1166765755.db2.gz GFNZWONUVPJHST-LBPRGKRZSA-N -1 1 313.264 0.956 20 0 DCADMM CC1(C)C[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001590082479 1166769500 /nfs/dbraw/zinc/76/95/00/1166769500.db2.gz FLBTVZOPRFZVRC-VIFPVBQESA-N -1 1 302.338 0.949 20 0 DCADMM CC1(C)C[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001590082479 1166769507 /nfs/dbraw/zinc/76/95/07/1166769507.db2.gz FLBTVZOPRFZVRC-VIFPVBQESA-N -1 1 302.338 0.949 20 0 DCADMM CC1(C)CO[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590110747 1166776241 /nfs/dbraw/zinc/77/62/41/1166776241.db2.gz HAJYCGDVFYMHIA-SECBINFHSA-N -1 1 302.338 0.807 20 0 DCADMM CC1(C)CO[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590110747 1166776249 /nfs/dbraw/zinc/77/62/49/1166776249.db2.gz HAJYCGDVFYMHIA-SECBINFHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@]1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCC(=O)N1 ZINC001590131776 1166785678 /nfs/dbraw/zinc/78/56/78/1166785678.db2.gz FIMRGISILNGLIN-GFCCVEGCSA-N -1 1 306.351 0.327 20 0 DCADMM C[C@]1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCC(=O)N1 ZINC001590131776 1166785695 /nfs/dbraw/zinc/78/56/95/1166785695.db2.gz FIMRGISILNGLIN-GFCCVEGCSA-N -1 1 306.351 0.327 20 0 DCADMM C[C@@]12COC[C@@H]1CN(C(=O)c1ccnc(-c3nnn[n-]3)c1)C2 ZINC001590158632 1166793048 /nfs/dbraw/zinc/79/30/48/1166793048.db2.gz YVLVRUFSIMNHEH-IINYFYTJSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@@]12COC[C@@H]1CN(C(=O)c1ccnc(-c3nn[n-]n3)c1)C2 ZINC001590158632 1166793052 /nfs/dbraw/zinc/79/30/52/1166793052.db2.gz YVLVRUFSIMNHEH-IINYFYTJSA-N -1 1 300.322 0.370 20 0 DCADMM C[C@@H]1C[C@]2(CC[C@H](CNc3nccnc3-c3nnn[n-]3)O2)CO1 ZINC001590219483 1166816943 /nfs/dbraw/zinc/81/69/43/1166816943.db2.gz LLJWEPNQBUDZRO-GPCCPHFNSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1C[C@]2(CC[C@H](CNc3nccnc3-c3nn[n-]n3)O2)CO1 ZINC001590219483 1166816949 /nfs/dbraw/zinc/81/69/49/1166816949.db2.gz LLJWEPNQBUDZRO-GPCCPHFNSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@H]1CC[C@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)O1 ZINC001590227684 1166820891 /nfs/dbraw/zinc/82/08/91/1166820891.db2.gz AZLDQEUPSNZVNY-GXSJLCMTSA-N -1 1 302.338 0.488 20 0 DCADMM C[C@H]1CC[C@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)O1 ZINC001590227684 1166820898 /nfs/dbraw/zinc/82/08/98/1166820898.db2.gz AZLDQEUPSNZVNY-GXSJLCMTSA-N -1 1 302.338 0.488 20 0 DCADMM C[C@@H]1CC[C@H](C(=O)NCCNc2nccnc2-c2nnn[n-]2)C1 ZINC001590223714 1166821101 /nfs/dbraw/zinc/82/11/01/1166821101.db2.gz PGNMLCHHHKQPBA-ZJUUUORDSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H]1CC[C@H](C(=O)NCCNc2nccnc2-c2nn[n-]n2)C1 ZINC001590223714 1166821115 /nfs/dbraw/zinc/82/11/15/1166821115.db2.gz PGNMLCHHHKQPBA-ZJUUUORDSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H]1CC[C@@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)O1 ZINC001590227685 1166821810 /nfs/dbraw/zinc/82/18/10/1166821810.db2.gz AZLDQEUPSNZVNY-KOLCDFICSA-N -1 1 302.338 0.488 20 0 DCADMM C[C@@H]1CC[C@@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)O1 ZINC001590227685 1166821816 /nfs/dbraw/zinc/82/18/16/1166821816.db2.gz AZLDQEUPSNZVNY-KOLCDFICSA-N -1 1 302.338 0.488 20 0 DCADMM C[C@H]1CCC[C@@H]1CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001590247396 1166826107 /nfs/dbraw/zinc/82/61/07/1166826107.db2.gz JVCXGIRPPBNSAU-JGVFFNPUSA-N -1 1 305.342 0.514 20 0 DCADMM C[C@@H]1CCC[C@]1(O)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590251005 1166826390 /nfs/dbraw/zinc/82/63/90/1166826390.db2.gz XDMVLCXSXZVJJJ-BMIGLBTASA-N -1 1 316.365 0.472 20 0 DCADMM C[C@@H]1CCC[C@]1(O)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590251005 1166826392 /nfs/dbraw/zinc/82/63/92/1166826392.db2.gz XDMVLCXSXZVJJJ-BMIGLBTASA-N -1 1 316.365 0.472 20 0 DCADMM C[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001590255743 1166827512 /nfs/dbraw/zinc/82/75/12/1166827512.db2.gz VNYKMHTWJQTHDB-ZYHUDNBSSA-N -1 1 316.365 0.723 20 0 DCADMM C[C@@H]1CCC[C@H]1CC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590252041 1166827595 /nfs/dbraw/zinc/82/75/95/1166827595.db2.gz YXWCDGBCWYESRL-ZJUUUORDSA-N -1 1 304.358 0.401 20 0 DCADMM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001590263719 1166828514 /nfs/dbraw/zinc/82/85/14/1166828514.db2.gz KPUYNJXZTYQPAP-BXKDBHETSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001590263719 1166828519 /nfs/dbraw/zinc/82/85/19/1166828519.db2.gz KPUYNJXZTYQPAP-BXKDBHETSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@@H]1CCCN(C(=O)C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC001590256679 1166830638 /nfs/dbraw/zinc/83/06/38/1166830638.db2.gz JSLWRKVWPRJXTM-SSDOTTSWSA-N -1 1 321.366 0.520 20 0 DCADMM C[C@@H]1CCCN(C(=O)C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC001590256679 1166830642 /nfs/dbraw/zinc/83/06/42/1166830642.db2.gz JSLWRKVWPRJXTM-SSDOTTSWSA-N -1 1 321.366 0.520 20 0 DCADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)[C@H]1CO ZINC001590275503 1166837918 /nfs/dbraw/zinc/83/79/18/1166837918.db2.gz CWCYWFKYWJUCRE-KCJUWKMLSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)[C@H]1CO ZINC001590275503 1166837923 /nfs/dbraw/zinc/83/79/23/1166837923.db2.gz CWCYWFKYWJUCRE-KCJUWKMLSA-N -1 1 301.354 0.741 20 0 DCADMM C[C@H]1CCOCCN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590278975 1166840294 /nfs/dbraw/zinc/84/02/94/1166840294.db2.gz WSYKIEGQYCINRW-VIFPVBQESA-N -1 1 324.366 0.061 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCC1=O ZINC001590293875 1166841828 /nfs/dbraw/zinc/84/18/28/1166841828.db2.gz IIXSSDBVCWYQIS-MRVPVSSYSA-N -1 1 301.310 0.705 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCC1=O ZINC001590293875 1166841833 /nfs/dbraw/zinc/84/18/33/1166841833.db2.gz IIXSSDBVCWYQIS-MRVPVSSYSA-N -1 1 301.310 0.705 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)[S@@]1=O ZINC001590300263 1166847659 /nfs/dbraw/zinc/84/76/59/1166847659.db2.gz UXEIFJNXCZHVLS-VDKUODGRSA-N -1 1 320.378 0.243 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)[S@@]1=O ZINC001590300263 1166847661 /nfs/dbraw/zinc/84/76/61/1166847661.db2.gz UXEIFJNXCZHVLS-VDKUODGRSA-N -1 1 320.378 0.243 20 0 DCADMM C[C@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)C[C@H](C2CC2)O1 ZINC001590311176 1166857316 /nfs/dbraw/zinc/85/73/16/1166857316.db2.gz WIZBLJGGSWNOTI-GXFFZTMASA-N -1 1 316.365 0.485 20 0 DCADMM C[C@H]1COCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590321815 1166862698 /nfs/dbraw/zinc/86/26/98/1166862698.db2.gz CNURZWOEKZINMI-DTWKUNHWSA-N -1 1 303.326 0.808 20 0 DCADMM C[C@H]1COCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590321815 1166862705 /nfs/dbraw/zinc/86/27/05/1166862705.db2.gz CNURZWOEKZINMI-DTWKUNHWSA-N -1 1 303.326 0.808 20 0 DCADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590333913 1166870236 /nfs/dbraw/zinc/87/02/36/1166870236.db2.gz HRFINHHADCYKTN-FBSDJGSXSA-N -1 1 322.394 0.999 20 0 DCADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590333913 1166870242 /nfs/dbraw/zinc/87/02/42/1166870242.db2.gz HRFINHHADCYKTN-FBSDJGSXSA-N -1 1 322.394 0.999 20 0 DCADMM C[C@@H]1OCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)[C@H]1C ZINC001590336061 1166873805 /nfs/dbraw/zinc/87/38/05/1166873805.db2.gz JHFNGZKWKODWRQ-YUMQZZPRSA-N -1 1 323.382 0.642 20 0 DCADMM C[C@@H]1OCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)[C@H]1C ZINC001590336061 1166873812 /nfs/dbraw/zinc/87/38/12/1166873812.db2.gz JHFNGZKWKODWRQ-YUMQZZPRSA-N -1 1 323.382 0.642 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590348199 1166878705 /nfs/dbraw/zinc/87/87/05/1166878705.db2.gz RCXBXNRRDSDSMT-BNFOFFDWSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590348199 1166878709 /nfs/dbraw/zinc/87/87/09/1166878709.db2.gz RCXBXNRRDSDSMT-BNFOFFDWSA-N -1 1 314.353 0.318 20 0 DCADMM CCC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590360707 1166885552 /nfs/dbraw/zinc/88/55/52/1166885552.db2.gz GKZVBWDZIMZBCN-SECBINFHSA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590360707 1166885560 /nfs/dbraw/zinc/88/55/60/1166885560.db2.gz GKZVBWDZIMZBCN-SECBINFHSA-N -1 1 302.342 0.104 20 0 DCADMM CCC(C)(C)CCn1c(=O)c(-c2nn[n-]n2)c(C)n(C)c1=O ZINC001590375401 1166892528 /nfs/dbraw/zinc/89/25/28/1166892528.db2.gz FVBBRPLVWSQCST-UHFFFAOYSA-N -1 1 306.370 0.862 20 0 DCADMM CCC(C)(C)CNC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590375529 1166892754 /nfs/dbraw/zinc/89/27/54/1166892754.db2.gz LXGJHWXFGKAPBO-UHFFFAOYSA-N -1 1 307.362 0.194 20 0 DCADMM CC[C@@H](C)C(=O)COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590391060 1166897167 /nfs/dbraw/zinc/89/71/67/1166897167.db2.gz PETOHRUOMVFIFN-HTQZYQBOSA-N -1 1 307.314 0.178 20 0 DCADMM CC[C@@H](C)[C@H](C)C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001590396201 1166898285 /nfs/dbraw/zinc/89/82/85/1166898285.db2.gz CNWAMDPDHZAVHD-ZJUUUORDSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@@H](C)[C@H](C)C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001590396201 1166898293 /nfs/dbraw/zinc/89/82/93/1166898293.db2.gz CNWAMDPDHZAVHD-ZJUUUORDSA-N -1 1 318.385 0.867 20 0 DCADMM CCC(CC)(NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(N)=O ZINC001590427577 1166902518 /nfs/dbraw/zinc/90/25/18/1166902518.db2.gz BNPUVLDKKPYHCN-UHFFFAOYSA-N -1 1 303.326 0.036 20 0 DCADMM CCC(CC)(NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(N)=O ZINC001590427577 1166902525 /nfs/dbraw/zinc/90/25/25/1166902525.db2.gz BNPUVLDKKPYHCN-UHFFFAOYSA-N -1 1 303.326 0.036 20 0 DCADMM CC[C@H](CNC(=O)C=C(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590440356 1166905974 /nfs/dbraw/zinc/90/59/74/1166905974.db2.gz JUOXDAYULYCSQJ-SNVBAGLBSA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@H](CNC(=O)C=C(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590440356 1166905980 /nfs/dbraw/zinc/90/59/80/1166905980.db2.gz JUOXDAYULYCSQJ-SNVBAGLBSA-N -1 1 316.369 0.930 20 0 DCADMM CC[C@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(=O)OC ZINC001590441810 1166906570 /nfs/dbraw/zinc/90/65/70/1166906570.db2.gz KZCJMZGIHSUNJN-MRVPVSSYSA-N -1 1 322.325 0.021 20 0 DCADMM CC[C@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(=O)OC ZINC001590441810 1166906574 /nfs/dbraw/zinc/90/65/74/1166906574.db2.gz KZCJMZGIHSUNJN-MRVPVSSYSA-N -1 1 322.325 0.021 20 0 DCADMM CC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@@H](O)C(C)C ZINC001590454442 1166910676 /nfs/dbraw/zinc/91/06/76/1166910676.db2.gz LKXJAGOFCWEGJG-FZMZJTMJSA-N -1 1 318.381 0.716 20 0 DCADMM CC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@@H](O)C(C)C ZINC001590454442 1166910681 /nfs/dbraw/zinc/91/06/81/1166910681.db2.gz LKXJAGOFCWEGJG-FZMZJTMJSA-N -1 1 318.381 0.716 20 0 DCADMM CC[C@]1(C)CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CCO1 ZINC001590491050 1166924379 /nfs/dbraw/zinc/92/43/79/1166924379.db2.gz YJSRYIUAZWMVLW-CQSZACIVSA-N -1 1 320.353 0.733 20 0 DCADMM CC[C@]1(C)CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CCO1 ZINC001590491050 1166924389 /nfs/dbraw/zinc/92/43/89/1166924389.db2.gz YJSRYIUAZWMVLW-CQSZACIVSA-N -1 1 320.353 0.733 20 0 DCADMM CC[C@@H]1CCCC[C@@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590510023 1166927930 /nfs/dbraw/zinc/92/79/30/1166927930.db2.gz DYZVROSIGMPMMN-GHMZBOCLSA-N -1 1 318.385 0.791 20 0 DCADMM CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590504239 1166927949 /nfs/dbraw/zinc/92/79/49/1166927949.db2.gz XTDDPBDRMDINHP-IVZWLZJFSA-N -1 1 304.358 0.666 20 0 DCADMM CC[C@@H]1C[C@H](C)CN1C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590504241 1166928556 /nfs/dbraw/zinc/92/85/56/1166928556.db2.gz XTDDPBDRMDINHP-LPEHRKFASA-N -1 1 304.358 0.666 20 0 DCADMM CC[C@H]1CCCCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590512538 1166930879 /nfs/dbraw/zinc/93/08/79/1166930879.db2.gz UUOGZWWGMLRVDP-JTQLQIEISA-N -1 1 319.373 0.432 20 0 DCADMM CC/C=C(\C)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590525693 1166934081 /nfs/dbraw/zinc/93/40/81/1166934081.db2.gz UIMLAAAYTKAJNO-BJMVGYQFSA-N -1 1 316.369 0.883 20 0 DCADMM CC/C=C(\C)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590525693 1166934086 /nfs/dbraw/zinc/93/40/86/1166934086.db2.gz UIMLAAAYTKAJNO-BJMVGYQFSA-N -1 1 316.369 0.883 20 0 DCADMM CCC[C@@](C)(O)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001590544655 1166938976 /nfs/dbraw/zinc/93/89/76/1166938976.db2.gz XXXJNTONUKXAKM-CYBMUJFWSA-N -1 1 305.342 0.957 20 0 DCADMM CCC[C@H](NC(=O)c1ccnc(-c2nn[nH]n2)c1)c1nn[n-]n1 ZINC001590559358 1166941948 /nfs/dbraw/zinc/94/19/48/1166941948.db2.gz APPVSOCBTJNGEP-QMMMGPOBSA-N -1 1 314.313 0.046 20 0 DCADMM CCC[C@H](CCO)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001590556458 1166942016 /nfs/dbraw/zinc/94/20/16/1166942016.db2.gz PJTMDGSCEQRWIF-SECBINFHSA-N -1 1 308.342 0.373 20 0 DCADMM CCC[C@H](CCO)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001590556458 1166942023 /nfs/dbraw/zinc/94/20/23/1166942023.db2.gz PJTMDGSCEQRWIF-SECBINFHSA-N -1 1 308.342 0.373 20 0 DCADMM CCCCCN1CC(=O)N[C@H]1c1nc(-c2nnn[n-]2)cs1 ZINC001590596570 1166945773 /nfs/dbraw/zinc/94/57/73/1166945773.db2.gz NSYGSDSWGBPGTM-LLVKDONJSA-N -1 1 307.383 0.944 20 0 DCADMM CCCCCN1CC(=O)N[C@H]1c1nc(-c2nn[n-]n2)cs1 ZINC001590596570 1166945778 /nfs/dbraw/zinc/94/57/78/1166945778.db2.gz NSYGSDSWGBPGTM-LLVKDONJSA-N -1 1 307.383 0.944 20 0 DCADMM CCCCNC(=O)[C@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590602154 1166948199 /nfs/dbraw/zinc/94/81/99/1166948199.db2.gz HAUAVNSHSAYWII-VIFPVBQESA-N -1 1 318.337 0.723 20 0 DCADMM CCCCNC(=O)[C@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590602154 1166948208 /nfs/dbraw/zinc/94/82/08/1166948208.db2.gz HAUAVNSHSAYWII-VIFPVBQESA-N -1 1 318.337 0.723 20 0 DCADMM CCCN(CC(N)=O)c1snc(Cl)c1-c1nnn[n-]1 ZINC001590622852 1166952582 /nfs/dbraw/zinc/95/25/82/1166952582.db2.gz KVKPQNLNMHAORO-UHFFFAOYSA-N -1 1 301.763 0.678 20 0 DCADMM CCCN(CC(N)=O)c1snc(Cl)c1-c1nn[n-]n1 ZINC001590622852 1166952587 /nfs/dbraw/zinc/95/25/87/1166952587.db2.gz KVKPQNLNMHAORO-UHFFFAOYSA-N -1 1 301.763 0.678 20 0 DCADMM CCCc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc(=O)[nH]1 ZINC001590657252 1166963125 /nfs/dbraw/zinc/96/31/25/1166963125.db2.gz CYYBFSMOBANZGH-UHFFFAOYSA-N -1 1 314.309 0.387 20 0 DCADMM CCN1C[C@@H](C(=O)OCc2nc(-c3nnn[n-]3)cs2)CC1=O ZINC001590730394 1166985669 /nfs/dbraw/zinc/98/56/69/1166985669.db2.gz VUZZCRCYJYIFFO-ZETCQYMHSA-N -1 1 322.350 0.235 20 0 DCADMM CCN1C[C@@H](C(=O)OCc2nc(-c3nn[n-]n3)cs2)CC1=O ZINC001590730394 1166985676 /nfs/dbraw/zinc/98/56/76/1166985676.db2.gz VUZZCRCYJYIFFO-ZETCQYMHSA-N -1 1 322.350 0.235 20 0 DCADMM CCN1C[C@@H](CNc2nc(-c3nn[n-]n3)ccc2C)CC1=O ZINC001590730984 1166986346 /nfs/dbraw/zinc/98/63/46/1166986346.db2.gz WXIRLJIMMOHVCA-SNVBAGLBSA-N -1 1 301.354 0.850 20 0 DCADMM CCNC(=O)C[C@@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590740648 1166997197 /nfs/dbraw/zinc/99/71/97/1166997197.db2.gz JBCACUPXMXWQNS-SECBINFHSA-N -1 1 318.337 0.262 20 0 DCADMM CCNC(=O)C[C@@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590740648 1166997201 /nfs/dbraw/zinc/99/72/01/1166997201.db2.gz JBCACUPXMXWQNS-SECBINFHSA-N -1 1 318.337 0.262 20 0 DCADMM CCNC(=O)NCCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590744018 1167001263 /nfs/dbraw/zinc/00/12/63/1167001263.db2.gz PEGMVRHJENUOFJ-UHFFFAOYSA-N -1 1 321.316 0.055 20 0 DCADMM CCNC(=O)NCCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590744018 1167001270 /nfs/dbraw/zinc/00/12/70/1167001270.db2.gz PEGMVRHJENUOFJ-UHFFFAOYSA-N -1 1 321.316 0.055 20 0 DCADMM CCOC(=O)[C@@H](C)C1CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590749913 1167003509 /nfs/dbraw/zinc/00/35/09/1167003509.db2.gz DHPNNYWCOAVQKA-QMMMGPOBSA-N -1 1 303.326 0.292 20 0 DCADMM CCOC(=O)[C@@](C)(O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590753200 1167005424 /nfs/dbraw/zinc/00/54/24/1167005424.db2.gz ZFPKSVNRPFKOQS-NSHDSACASA-N -1 1 312.355 0.358 20 0 DCADMM CCOC(=O)[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001590760383 1167008842 /nfs/dbraw/zinc/00/88/42/1167008842.db2.gz SUGPMQPMIITHHX-VIFPVBQESA-N -1 1 324.366 0.087 20 0 DCADMM CCOC(=O)[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001590760383 1167008845 /nfs/dbraw/zinc/00/88/45/1167008845.db2.gz SUGPMQPMIITHHX-VIFPVBQESA-N -1 1 324.366 0.087 20 0 DCADMM CCOC(=O)c1ncc(Cn2ccnc2-c2nnn[n-]2)s1 ZINC001590776727 1167015687 /nfs/dbraw/zinc/01/56/87/1167015687.db2.gz NCUHGSYQWKRNRB-UHFFFAOYSA-N -1 1 305.323 0.745 20 0 DCADMM CCOC(=O)c1ncc(Cn2ccnc2-c2nn[n-]n2)s1 ZINC001590776727 1167015691 /nfs/dbraw/zinc/01/56/91/1167015691.db2.gz NCUHGSYQWKRNRB-UHFFFAOYSA-N -1 1 305.323 0.745 20 0 DCADMM CCOC(=O)c1cnn(Cc2cnoc2C)c1-c1nn[n-]n1 ZINC001590775636 1167016643 /nfs/dbraw/zinc/01/66/43/1167016643.db2.gz QEDGGTFFGCVGMO-UHFFFAOYSA-N -1 1 303.282 0.585 20 0 DCADMM CC[C@@H]1C(=O)NCCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590857182 1167038075 /nfs/dbraw/zinc/03/80/75/1167038075.db2.gz GXNJWCCZHMMPJF-MRVPVSSYSA-N -1 1 304.310 0.200 20 0 DCADMM CC[C@@H]1C(=O)NCCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590857182 1167038081 /nfs/dbraw/zinc/03/80/81/1167038081.db2.gz GXNJWCCZHMMPJF-MRVPVSSYSA-N -1 1 304.310 0.200 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3COC[C@@H]3C2)n1 ZINC001590906288 1167045965 /nfs/dbraw/zinc/04/59/65/1167045965.db2.gz CSUUWCQCGGKDTB-ZJUUUORDSA-N -1 1 301.354 0.692 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3COC[C@@H]3C2)n1 ZINC001590906288 1167045973 /nfs/dbraw/zinc/04/59/73/1167045973.db2.gz CSUUWCQCGGKDTB-ZJUUUORDSA-N -1 1 301.354 0.692 20 0 DCADMM CCc1nc(N[C@H]2CCN(CC(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001590916043 1167049027 /nfs/dbraw/zinc/04/90/27/1167049027.db2.gz HCTMNSMREYLACP-QMMMGPOBSA-N -1 1 324.339 0.970 20 0 DCADMM CCc1nc(N[C@H]2CCN(CC(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001590916043 1167049033 /nfs/dbraw/zinc/04/90/33/1167049033.db2.gz HCTMNSMREYLACP-QMMMGPOBSA-N -1 1 324.339 0.970 20 0 DCADMM CCc1nc(NC[C@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590923097 1167050778 /nfs/dbraw/zinc/05/07/78/1167050778.db2.gz PWTIYDPWZZQRPA-LURJTMIESA-N -1 1 303.248 0.554 20 0 DCADMM CCc1nc(NC[C@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590923097 1167050781 /nfs/dbraw/zinc/05/07/81/1167050781.db2.gz PWTIYDPWZZQRPA-LURJTMIESA-N -1 1 303.248 0.554 20 0 DCADMM CCc1nc(N[C@H]2CC(C)(C)OC2=O)cc(-c2nnn[n-]2)n1 ZINC001590917780 1167051210 /nfs/dbraw/zinc/05/12/10/1167051210.db2.gz YEYCDATULPNTDU-QMMMGPOBSA-N -1 1 303.326 0.725 20 0 DCADMM CCc1nc(N[C@H]2CC(C)(C)OC2=O)cc(-c2nn[n-]n2)n1 ZINC001590917780 1167051215 /nfs/dbraw/zinc/05/12/15/1167051215.db2.gz YEYCDATULPNTDU-QMMMGPOBSA-N -1 1 303.326 0.725 20 0 DCADMM CCc1nn(CC(=O)[C@@H]2C[C@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929511 1167054607 /nfs/dbraw/zinc/05/46/07/1167054607.db2.gz WXCKQWTVOGKYLG-PSASIEDQSA-N -1 1 316.365 0.773 20 0 DCADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)CCC(C)C)c1=O ZINC001590949193 1167056643 /nfs/dbraw/zinc/05/66/43/1167056643.db2.gz BJFRNBQDYQVUBL-SNVBAGLBSA-N -1 1 322.369 0.007 20 0 DCADMM CCn1nc(C)c(CNC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001590965389 1167061349 /nfs/dbraw/zinc/06/13/49/1167061349.db2.gz JPMWAXJKDLWJMJ-UHFFFAOYSA-N -1 1 313.325 0.112 20 0 DCADMM CCn1nc(C)c(CNC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001590965389 1167061355 /nfs/dbraw/zinc/06/13/55/1167061355.db2.gz JPMWAXJKDLWJMJ-UHFFFAOYSA-N -1 1 313.325 0.112 20 0 DCADMM CCn1nccc1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590969283 1167062156 /nfs/dbraw/zinc/06/21/56/1167062156.db2.gz AUIDRQDIKVLVSW-UHFFFAOYSA-N -1 1 305.323 0.897 20 0 DCADMM CCn1nccc1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590969283 1167062163 /nfs/dbraw/zinc/06/21/63/1167062163.db2.gz AUIDRQDIKVLVSW-UHFFFAOYSA-N -1 1 305.323 0.897 20 0 DCADMM CN(C(=O)/C=C\[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977919 1167066375 /nfs/dbraw/zinc/06/63/75/1167066375.db2.gz HRFRIJVIXHCXLU-XOIDGJRKSA-N -1 1 300.322 0.960 20 0 DCADMM CN(C(=O)/C=C\[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977919 1167066379 /nfs/dbraw/zinc/06/63/79/1167066379.db2.gz HRFRIJVIXHCXLU-XOIDGJRKSA-N -1 1 300.322 0.960 20 0 DCADMM CN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001590998741 1167068351 /nfs/dbraw/zinc/06/83/51/1167068351.db2.gz VRFFXBDPLUPXKB-WRXNHJIOSA-N -1 1 306.351 0.264 20 0 DCADMM CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)C1CCC(CO)CC1 ZINC001590995481 1167068569 /nfs/dbraw/zinc/06/85/69/1167068569.db2.gz CXSWUKBJDFQUOE-UHFFFAOYSA-N -1 1 316.365 0.885 20 0 DCADMM CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)C1CCC(CO)CC1 ZINC001590995481 1167068573 /nfs/dbraw/zinc/06/85/73/1167068573.db2.gz CXSWUKBJDFQUOE-UHFFFAOYSA-N -1 1 316.365 0.885 20 0 DCADMM CN(C(=O)c1cn(C)ccc1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590997892 1167069576 /nfs/dbraw/zinc/06/95/76/1167069576.db2.gz UQTHREFVSSYZML-UHFFFAOYSA-N -1 1 311.305 0.237 20 0 DCADMM CN(C(=O)c1cn(C)ccc1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590997892 1167069579 /nfs/dbraw/zinc/06/95/79/1167069579.db2.gz UQTHREFVSSYZML-UHFFFAOYSA-N -1 1 311.305 0.237 20 0 DCADMM CN(C)C(=O)C1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1 ZINC001590999943 1167071402 /nfs/dbraw/zinc/07/14/02/1167071402.db2.gz YGVDPVMFZQJFHB-UHFFFAOYSA-N -1 1 307.339 0.130 20 0 DCADMM CN(C)C(=O)C1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1 ZINC001590999943 1167071407 /nfs/dbraw/zinc/07/14/07/1167071407.db2.gz YGVDPVMFZQJFHB-UHFFFAOYSA-N -1 1 307.339 0.130 20 0 DCADMM CN(C)C(=O)CN(C)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591000502 1167072208 /nfs/dbraw/zinc/07/22/08/1167072208.db2.gz HVVSCQCCYFYDQB-UHFFFAOYSA-N -1 1 306.301 0.166 20 0 DCADMM CN(C)C(=O)CN(C)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591000502 1167072211 /nfs/dbraw/zinc/07/22/11/1167072211.db2.gz HVVSCQCCYFYDQB-UHFFFAOYSA-N -1 1 306.301 0.166 20 0 DCADMM CN(C)C(=O)OC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001591004153 1167073885 /nfs/dbraw/zinc/07/38/85/1167073885.db2.gz UARAQBWIPXAMTK-UHFFFAOYSA-N -1 1 318.341 0.324 20 0 DCADMM CN(C)C(=O)OC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001591004153 1167073889 /nfs/dbraw/zinc/07/38/89/1167073889.db2.gz UARAQBWIPXAMTK-UHFFFAOYSA-N -1 1 318.341 0.324 20 0 DCADMM CN(C)c1n[nH]c(CNCc2csc(-c3nn[n-]n3)c2)n1 ZINC001591036298 1167089840 /nfs/dbraw/zinc/08/98/40/1167089840.db2.gz KRMABMNPEQQEPA-UHFFFAOYSA-N -1 1 305.371 0.402 20 0 DCADMM CN(C[C@@H](O)Cc1ccccc1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591051223 1167094551 /nfs/dbraw/zinc/09/45/51/1167094551.db2.gz MRDMEYDGHPIYHE-LBPRGKRZSA-N -1 1 311.349 0.697 20 0 DCADMM CN(C[C@@H](O)Cc1ccccc1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591051223 1167094561 /nfs/dbraw/zinc/09/45/61/1167094561.db2.gz MRDMEYDGHPIYHE-LBPRGKRZSA-N -1 1 311.349 0.697 20 0 DCADMM CN(C[C@@H]1COCCO1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591064280 1167097552 /nfs/dbraw/zinc/09/75/52/1167097552.db2.gz NDIFMWOONRLYGV-SNVBAGLBSA-N -1 1 319.325 0.141 20 0 DCADMM CN(C[C@@H]1COCCO1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591064280 1167097555 /nfs/dbraw/zinc/09/75/55/1167097555.db2.gz NDIFMWOONRLYGV-SNVBAGLBSA-N -1 1 319.325 0.141 20 0 DCADMM CN(CCC(C)(C)C)c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001591064520 1167097566 /nfs/dbraw/zinc/09/75/66/1167097566.db2.gz MANKGGAQMDKWQV-UHFFFAOYSA-N -1 1 307.358 0.126 20 0 DCADMM CN(CCn1cnnc1)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591123502 1167108254 /nfs/dbraw/zinc/10/82/54/1167108254.db2.gz HGBKEPZWNRTTMF-UHFFFAOYSA-N -1 1 312.341 0.262 20 0 DCADMM CN(CCn1cnnc1)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591123502 1167108258 /nfs/dbraw/zinc/10/82/58/1167108258.db2.gz HGBKEPZWNRTTMF-UHFFFAOYSA-N -1 1 312.341 0.262 20 0 DCADMM CN(Cc1cccc(C(N)=O)c1)c1ccnc(-c2nn[n-]n2)n1 ZINC001591147169 1167116514 /nfs/dbraw/zinc/11/65/14/1167116514.db2.gz ZXDLCKYCTGFUPW-UHFFFAOYSA-N -1 1 310.321 0.392 20 0 DCADMM CN(Cc1cn(C)nn1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591150610 1167117122 /nfs/dbraw/zinc/11/71/22/1167117122.db2.gz CWFVHRQGFQSADA-UHFFFAOYSA-N -1 1 304.339 0.329 20 0 DCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H](CO)Cc1ccccc1 ZINC001591157438 1167119012 /nfs/dbraw/zinc/11/90/12/1167119012.db2.gz KQWBCXGIPROESF-LBPRGKRZSA-N -1 1 311.349 0.697 20 0 DCADMM CN(Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)[C@@H]1CCOC1 ZINC001591154090 1167119926 /nfs/dbraw/zinc/11/99/26/1167119926.db2.gz PHNMAFGFDFOUOH-LLVKDONJSA-N -1 1 316.365 0.195 20 0 DCADMM CN(Cc1nncn1C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591153762 1167120118 /nfs/dbraw/zinc/12/01/18/1167120118.db2.gz DTDSXQYZSQMTIE-UHFFFAOYSA-N -1 1 304.339 0.329 20 0 DCADMM CN(c1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H]1COC[C@H]1O ZINC001591159344 1167120669 /nfs/dbraw/zinc/12/06/69/1167120669.db2.gz BVHYRPGLUBOKJK-RFZPGFLSSA-N -1 1 302.747 0.173 20 0 DCADMM CN(c1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1COC[C@H]1O ZINC001591159344 1167120673 /nfs/dbraw/zinc/12/06/73/1167120673.db2.gz BVHYRPGLUBOKJK-RFZPGFLSSA-N -1 1 302.747 0.173 20 0 DCADMM CN1CC[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1=O ZINC001591177982 1167130059 /nfs/dbraw/zinc/13/00/59/1167130059.db2.gz OXLVWUPXDCGPGG-QMMMGPOBSA-N -1 1 306.351 0.023 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591201269 1167147545 /nfs/dbraw/zinc/14/75/45/1167147545.db2.gz CRAMSJHMYUQARP-RKDXNWHRSA-N -1 1 320.378 0.573 20 0 DCADMM CNC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591203255 1167149977 /nfs/dbraw/zinc/14/99/77/1167149977.db2.gz CDQIYLNGSIZFQI-SECBINFHSA-N -1 1 318.337 0.366 20 0 DCADMM CNC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591203255 1167149985 /nfs/dbraw/zinc/14/99/85/1167149985.db2.gz CDQIYLNGSIZFQI-SECBINFHSA-N -1 1 318.337 0.366 20 0 DCADMM CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591204395 1167153156 /nfs/dbraw/zinc/15/31/56/1167153156.db2.gz WXLYSNSOKHDZJM-NSHDSACASA-N -1 1 315.337 0.002 20 0 DCADMM CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591204395 1167153163 /nfs/dbraw/zinc/15/31/63/1167153163.db2.gz WXLYSNSOKHDZJM-NSHDSACASA-N -1 1 315.337 0.002 20 0 DCADMM CNC(=O)CCCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001591206747 1167155937 /nfs/dbraw/zinc/15/59/37/1167155937.db2.gz HWCPNFSBSGOGLH-UHFFFAOYSA-N -1 1 318.337 0.817 20 0 DCADMM COC(=O)[C@H](CNc1cncc(-c2nnn[n-]2)n1)CC1CC1 ZINC001591233199 1167170675 /nfs/dbraw/zinc/17/06/75/1167170675.db2.gz TUMCBQLHBHTYDW-VIFPVBQESA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)[C@H](CNc1cncc(-c2nn[n-]n2)n1)CC1CC1 ZINC001591233199 1167170680 /nfs/dbraw/zinc/17/06/80/1167170680.db2.gz TUMCBQLHBHTYDW-VIFPVBQESA-N -1 1 303.326 0.658 20 0 DCADMM COC(=O)[C@@]1(NCc2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC001591246371 1167174956 /nfs/dbraw/zinc/17/49/56/1167174956.db2.gz FHAHUIWSRXEAKO-GFCCVEGCSA-N -1 1 309.351 0.350 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC001591251196 1167176593 /nfs/dbraw/zinc/17/65/93/1167176593.db2.gz ALZZDLJYLHZVPP-WPRPVWTQSA-N -1 1 316.321 0.285 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC001591251196 1167176598 /nfs/dbraw/zinc/17/65/98/1167176598.db2.gz ALZZDLJYLHZVPP-WPRPVWTQSA-N -1 1 316.321 0.285 20 0 DCADMM COC(=O)C[C@@H](C)N(OC)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591258242 1167181538 /nfs/dbraw/zinc/18/15/38/1167181538.db2.gz DSTWSXYRZCYMIW-MRVPVSSYSA-N -1 1 320.309 0.217 20 0 DCADMM COC(=O)C[C@@H](C)N(OC)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591258242 1167181541 /nfs/dbraw/zinc/18/15/41/1167181541.db2.gz DSTWSXYRZCYMIW-MRVPVSSYSA-N -1 1 320.309 0.217 20 0 DCADMM COC(=O)N1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001591273629 1167193332 /nfs/dbraw/zinc/19/33/32/1167193332.db2.gz WTSJXUICLZMJRC-UHFFFAOYSA-N -1 1 303.326 0.459 20 0 DCADMM COC(=O)N1CCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001591273629 1167193333 /nfs/dbraw/zinc/19/33/33/1167193333.db2.gz WTSJXUICLZMJRC-UHFFFAOYSA-N -1 1 303.326 0.459 20 0 DCADMM COC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001591273906 1167193665 /nfs/dbraw/zinc/19/36/65/1167193665.db2.gz MKBHLPIQOKVMAH-UHFFFAOYSA-N -1 1 304.314 0.299 20 0 DCADMM COC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001591273906 1167193671 /nfs/dbraw/zinc/19/36/71/1167193671.db2.gz MKBHLPIQOKVMAH-UHFFFAOYSA-N -1 1 304.314 0.299 20 0 DCADMM COC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001591283755 1167202024 /nfs/dbraw/zinc/20/20/24/1167202024.db2.gz VZJRLPIFPXFQNP-KNVOCYPGSA-N -1 1 307.335 0.610 20 0 DCADMM COC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001591283755 1167202027 /nfs/dbraw/zinc/20/20/27/1167202027.db2.gz VZJRLPIFPXFQNP-KNVOCYPGSA-N -1 1 307.335 0.610 20 0 DCADMM COC(=O)c1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(C)o1 ZINC001591286770 1167202057 /nfs/dbraw/zinc/20/20/57/1167202057.db2.gz HESUCTLCSUSYQT-UHFFFAOYSA-N -1 1 317.265 0.530 20 0 DCADMM COC(=O)c1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(C)o1 ZINC001591286770 1167202060 /nfs/dbraw/zinc/20/20/60/1167202060.db2.gz HESUCTLCSUSYQT-UHFFFAOYSA-N -1 1 317.265 0.530 20 0 DCADMM COC(=O)c1ccc(N[C@@H]2CCOC[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001591295453 1167202559 /nfs/dbraw/zinc/20/25/59/1167202559.db2.gz GSZFYMBIPWVKEF-DTWKUNHWSA-N -1 1 318.337 0.885 20 0 DCADMM COC(=O)c1ccc(N[C@@H]2CCOC[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001591295453 1167202563 /nfs/dbraw/zinc/20/25/63/1167202563.db2.gz GSZFYMBIPWVKEF-DTWKUNHWSA-N -1 1 318.337 0.885 20 0 DCADMM COC(=O)c1ccc(N2CC[C@@](C)(O)C2)c(-c2nnn[n-]2)n1 ZINC001591293737 1167202727 /nfs/dbraw/zinc/20/27/27/1167202727.db2.gz LNVVNWBRRYNGOF-CYBMUJFWSA-N -1 1 304.310 0.009 20 0 DCADMM COC(=O)c1ccc(N2CC[C@@](C)(O)C2)c(-c2nn[n-]n2)n1 ZINC001591293737 1167202730 /nfs/dbraw/zinc/20/27/30/1167202730.db2.gz LNVVNWBRRYNGOF-CYBMUJFWSA-N -1 1 304.310 0.009 20 0 DCADMM COC(=O)c1ccc(SCC(=O)N(C)C)c(-c2nnn[n-]2)n1 ZINC001591298085 1167208221 /nfs/dbraw/zinc/20/82/21/1167208221.db2.gz DXLOOBSYJWCNRH-UHFFFAOYSA-N -1 1 322.350 0.229 20 0 DCADMM COC(=O)c1ccc(SCC(=O)N(C)C)c(-c2nn[n-]n2)n1 ZINC001591298085 1167208228 /nfs/dbraw/zinc/20/82/28/1167208228.db2.gz DXLOOBSYJWCNRH-UHFFFAOYSA-N -1 1 322.350 0.229 20 0 DCADMM COC(C)(C)C(=O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001591315624 1167210290 /nfs/dbraw/zinc/21/02/90/1167210290.db2.gz YEBQMXLKTQNZPS-UHFFFAOYSA-N -1 1 317.349 0.511 20 0 DCADMM COC(C)(C)CCNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001591316512 1167210431 /nfs/dbraw/zinc/21/04/31/1167210431.db2.gz LOUJPCBTVXLNLK-UHFFFAOYSA-N -1 1 320.353 0.821 20 0 DCADMM CO[C@](C)(CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)C1CC1 ZINC001591317115 1167213074 /nfs/dbraw/zinc/21/30/74/1167213074.db2.gz CWUBYFNJAOXJMJ-CQSZACIVSA-N -1 1 320.353 0.637 20 0 DCADMM CO[C@](C)(CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)C1CC1 ZINC001591317115 1167213078 /nfs/dbraw/zinc/21/30/78/1167213078.db2.gz CWUBYFNJAOXJMJ-CQSZACIVSA-N -1 1 320.353 0.637 20 0 DCADMM CO[C@@H](C)c1noc(CN(C)c2ncncc2-c2nn[n-]n2)n1 ZINC001591325167 1167215321 /nfs/dbraw/zinc/21/53/21/1167215321.db2.gz KPDKUUGBXLILFG-ZETCQYMHSA-N -1 1 317.313 0.384 20 0 DCADMM CO[C@@H](C)c1noc(CN(C)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001591325251 1167215575 /nfs/dbraw/zinc/21/55/75/1167215575.db2.gz MZFAYIQYYQPIJA-QMMMGPOBSA-N -1 1 316.325 0.989 20 0 DCADMM CO[C@@H](C)c1noc(CN(C)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001591325251 1167215583 /nfs/dbraw/zinc/21/55/83/1167215583.db2.gz MZFAYIQYYQPIJA-QMMMGPOBSA-N -1 1 316.325 0.989 20 0 DCADMM COC1(OC)CC(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591346825 1167228064 /nfs/dbraw/zinc/22/80/64/1167228064.db2.gz PYBABYATARDNHJ-UHFFFAOYSA-N -1 1 319.325 0.535 20 0 DCADMM COC1(OC)CC(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591346825 1167228071 /nfs/dbraw/zinc/22/80/71/1167228071.db2.gz PYBABYATARDNHJ-UHFFFAOYSA-N -1 1 319.325 0.535 20 0 DCADMM CO[C@@H]1C[C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC001591349354 1167228364 /nfs/dbraw/zinc/22/83/64/1167228364.db2.gz RTFYRNJXBAMVMA-VXGBXAGGSA-N -1 1 316.365 0.734 20 0 DCADMM CO[C@@H]1C[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC001591349354 1167228371 /nfs/dbraw/zinc/22/83/71/1167228371.db2.gz RTFYRNJXBAMVMA-VXGBXAGGSA-N -1 1 316.365 0.734 20 0 DCADMM COC1(OC)CC(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001591346497 1167229246 /nfs/dbraw/zinc/22/92/46/1167229246.db2.gz KUPWDMVLTFLKPZ-UHFFFAOYSA-N -1 1 305.342 0.776 20 0 DCADMM COC1(OC)CC(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591346497 1167229254 /nfs/dbraw/zinc/22/92/54/1167229254.db2.gz KUPWDMVLTFLKPZ-UHFFFAOYSA-N -1 1 305.342 0.776 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591363125 1167235698 /nfs/dbraw/zinc/23/56/98/1167235698.db2.gz RWZWCDDTUSKOJM-GZMMTYOYSA-N -1 1 307.310 0.336 20 0 DCADMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591363125 1167235705 /nfs/dbraw/zinc/23/57/05/1167235705.db2.gz RWZWCDDTUSKOJM-GZMMTYOYSA-N -1 1 307.310 0.336 20 0 DCADMM CO[C@H]1COCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591362744 1167236274 /nfs/dbraw/zinc/23/62/74/1167236274.db2.gz QEEWYGSJXIAVLN-KCJUWKMLSA-N -1 1 307.310 0.241 20 0 DCADMM CO[C@H]1COCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591362744 1167236281 /nfs/dbraw/zinc/23/62/81/1167236281.db2.gz QEEWYGSJXIAVLN-KCJUWKMLSA-N -1 1 307.310 0.241 20 0 DCADMM COC[C@H](CCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)OC ZINC001591375604 1167247363 /nfs/dbraw/zinc/24/73/63/1167247363.db2.gz GGLVMFGBYIRAPU-JTQLQIEISA-N -1 1 321.341 0.435 20 0 DCADMM COC[C@H](CCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)OC ZINC001591375604 1167247372 /nfs/dbraw/zinc/24/73/72/1167247372.db2.gz GGLVMFGBYIRAPU-JTQLQIEISA-N -1 1 321.341 0.435 20 0 DCADMM COC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC ZINC001591381088 1167252541 /nfs/dbraw/zinc/25/25/41/1167252541.db2.gz UXEJFGYTQQHJHC-LURJTMIESA-N -1 1 312.307 0.273 20 0 DCADMM COC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC001591381088 1167252548 /nfs/dbraw/zinc/25/25/48/1167252548.db2.gz UXEJFGYTQQHJHC-LURJTMIESA-N -1 1 312.307 0.273 20 0 DCADMM COC[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591386653 1167254824 /nfs/dbraw/zinc/25/48/24/1167254824.db2.gz TVVNUZBMAJEBGI-CQSZACIVSA-N -1 1 302.338 0.760 20 0 DCADMM COC[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591386653 1167254829 /nfs/dbraw/zinc/25/48/29/1167254829.db2.gz TVVNUZBMAJEBGI-CQSZACIVSA-N -1 1 302.338 0.760 20 0 DCADMM COC[C@H]1CCCN1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591393923 1167261254 /nfs/dbraw/zinc/26/12/54/1167261254.db2.gz IYNMSBDFCZKDIN-SECBINFHSA-N -1 1 308.367 0.684 20 0 DCADMM COC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001591395841 1167264889 /nfs/dbraw/zinc/26/48/89/1167264889.db2.gz LCPLFQRSZUQDSD-UWVGGRQHSA-N -1 1 305.342 0.205 20 0 DCADMM COC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001591395841 1167264894 /nfs/dbraw/zinc/26/48/94/1167264894.db2.gz LCPLFQRSZUQDSD-UWVGGRQHSA-N -1 1 305.342 0.205 20 0 DCADMM COCCC1CN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001591402818 1167270464 /nfs/dbraw/zinc/27/04/64/1167270464.db2.gz GEECHNYAMHZJEL-UHFFFAOYSA-N -1 1 318.337 0.521 20 0 DCADMM COCCC1CN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001591402818 1167270468 /nfs/dbraw/zinc/27/04/68/1167270468.db2.gz GEECHNYAMHZJEL-UHFFFAOYSA-N -1 1 318.337 0.521 20 0 DCADMM COCCCN(CCO)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591414060 1167272256 /nfs/dbraw/zinc/27/22/56/1167272256.db2.gz ALTLAOPAGKWJOV-UHFFFAOYSA-N -1 1 321.341 0.124 20 0 DCADMM COCCCN(CCO)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591414060 1167272258 /nfs/dbraw/zinc/27/22/58/1167272258.db2.gz ALTLAOPAGKWJOV-UHFFFAOYSA-N -1 1 321.341 0.124 20 0 DCADMM COCCn1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001591451362 1167291157 /nfs/dbraw/zinc/29/11/57/1167291157.db2.gz MTRPJZYOARRXJQ-UHFFFAOYSA-N -1 1 314.309 0.357 20 0 DCADMM COCCn1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001591451362 1167291160 /nfs/dbraw/zinc/29/11/60/1167291160.db2.gz MTRPJZYOARRXJQ-UHFFFAOYSA-N -1 1 314.309 0.357 20 0 DCADMM COc1ccc(OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001591618892 1167342391 /nfs/dbraw/zinc/34/23/91/1167342391.db2.gz RCVAXCPAJXOBFH-QMMMGPOBSA-N -1 1 315.293 0.633 20 0 DCADMM COc1ncc(NC(=O)[C@H]2CCC=CO2)cc1-c1nn[n-]n1 ZINC001591663556 1167343116 /nfs/dbraw/zinc/34/31/16/1167343116.db2.gz BNAASGGLYCQFHH-SNVBAGLBSA-N -1 1 302.294 0.902 20 0 DCADMM COc1ncc(Cn2ccn3ncc(-c4nn[n-]n4)c23)c(C)n1 ZINC001591663787 1167343823 /nfs/dbraw/zinc/34/38/23/1167343823.db2.gz YDSHANGWCVKTSQ-UHFFFAOYSA-N -1 1 311.309 0.471 20 0 DCADMM COc1cnc(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001591657888 1167344708 /nfs/dbraw/zinc/34/47/08/1167344708.db2.gz LCANHYMBSBKYBH-UHFFFAOYSA-N -1 1 312.293 0.337 20 0 DCADMM COc1cnc(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001591657888 1167344710 /nfs/dbraw/zinc/34/47/10/1167344710.db2.gz LCANHYMBSBKYBH-UHFFFAOYSA-N -1 1 312.293 0.337 20 0 DCADMM CS(=O)(=O)[C@H]1CCCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001591673071 1167348089 /nfs/dbraw/zinc/34/80/89/1167348089.db2.gz GGAWTQQDLKNCTP-VIFPVBQESA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@H]1CCCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001591673071 1167348097 /nfs/dbraw/zinc/34/80/97/1167348097.db2.gz GGAWTQQDLKNCTP-VIFPVBQESA-N -1 1 323.382 0.060 20 0 DCADMM C[S@@](=O)C1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001591682622 1167351498 /nfs/dbraw/zinc/35/14/98/1167351498.db2.gz LERPHNXZTYDHFJ-JOCHJYFZSA-N -1 1 320.378 0.293 20 0 DCADMM C[S@@](=O)C1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001591682622 1167351503 /nfs/dbraw/zinc/35/15/03/1167351503.db2.gz LERPHNXZTYDHFJ-JOCHJYFZSA-N -1 1 320.378 0.293 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N(C)C[C@@H](C)O)cc1-c1nn[n-]n1 ZINC001591702686 1167357506 /nfs/dbraw/zinc/35/75/06/1167357506.db2.gz RQPVULSVEYQNTP-ZCFIWIBFSA-N -1 1 324.366 0.142 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC23CC3)cc1-c1nn[n-]n1 ZINC001591705070 1167358543 /nfs/dbraw/zinc/35/85/43/1167358543.db2.gz XSVFJQPZDSKRHW-MRVPVSSYSA-N -1 1 318.362 0.972 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H](C)C2CCOCC2)nn1C ZINC001591798006 1167382600 /nfs/dbraw/zinc/38/26/00/1167382600.db2.gz CPGBGMGCLNMEGF-QMMMGPOBSA-N -1 1 319.369 0.910 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H](C)C2CCOCC2)nn1C ZINC001591798006 1167382605 /nfs/dbraw/zinc/38/26/05/1167382605.db2.gz CPGBGMGCLNMEGF-QMMMGPOBSA-N -1 1 319.369 0.910 20 0 DCADMM Cc1c[nH]cc1C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001591832789 1167390913 /nfs/dbraw/zinc/39/09/13/1167390913.db2.gz NZNSZZFZRLVBPU-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1c[nH]cc1C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001591832789 1167390923 /nfs/dbraw/zinc/39/09/23/1167390923.db2.gz NZNSZZFZRLVBPU-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ccnc(N(C)C)c2)c1 ZINC001591836937 1167390960 /nfs/dbraw/zinc/39/09/60/1167390960.db2.gz ORHAJMZCJYIZTM-UHFFFAOYSA-N -1 1 311.349 0.846 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@H](C)C1 ZINC001591834905 1167391177 /nfs/dbraw/zinc/39/11/77/1167391177.db2.gz WGAOPEARBXCCLV-MRVPVSSYSA-N -1 1 304.310 0.137 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCC[C@H]2C(N)=O)n1 ZINC001591892833 1167412633 /nfs/dbraw/zinc/41/26/33/1167412633.db2.gz QKTHLLNHZQPHDF-BDAKNGLRSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCC[C@H]2C(N)=O)n1 ZINC001591892833 1167412638 /nfs/dbraw/zinc/41/26/38/1167412638.db2.gz QKTHLLNHZQPHDF-BDAKNGLRSA-N -1 1 302.342 0.421 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCC2(N3CCOCC3)CC2)n1 ZINC001591895079 1167414288 /nfs/dbraw/zinc/41/42/88/1167414288.db2.gz PUXZLOHCGCWQPX-UHFFFAOYSA-N -1 1 316.369 0.242 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCC2(N3CCOCC3)CC2)n1 ZINC001591895079 1167414294 /nfs/dbraw/zinc/41/42/94/1167414294.db2.gz PUXZLOHCGCWQPX-UHFFFAOYSA-N -1 1 316.369 0.242 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ncnn2C(C)C)n1 ZINC001591900792 1167415938 /nfs/dbraw/zinc/41/59/38/1167415938.db2.gz AOAZQWUGXCPROP-UHFFFAOYSA-N -1 1 300.330 0.750 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ncnn2C(C)C)n1 ZINC001591900792 1167415939 /nfs/dbraw/zinc/41/59/39/1167415939.db2.gz AOAZQWUGXCPROP-UHFFFAOYSA-N -1 1 300.330 0.750 20 0 DCADMM Cc1cc(CN(C)C(=O)Cc2ccc(-c3nnn[n-]3)nc2)no1 ZINC001591961381 1167425391 /nfs/dbraw/zinc/42/53/91/1167425391.db2.gz MTWXSQVUWMWLPJ-UHFFFAOYSA-N -1 1 313.321 0.759 20 0 DCADMM Cc1cc(CN(C)C(=O)Cc2ccc(-c3nn[n-]n3)nc2)no1 ZINC001591961381 1167425396 /nfs/dbraw/zinc/42/53/96/1167425396.db2.gz MTWXSQVUWMWLPJ-UHFFFAOYSA-N -1 1 313.321 0.759 20 0 DCADMM Cc1cc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc(-c2nnn[n-]2)n1 ZINC001592004665 1167432231 /nfs/dbraw/zinc/43/22/31/1167432231.db2.gz PBMGWPHMNACMPL-JQWIXIFHSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1cc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc(-c2nn[n-]n2)n1 ZINC001592004665 1167432237 /nfs/dbraw/zinc/43/22/37/1167432237.db2.gz PBMGWPHMNACMPL-JQWIXIFHSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c[nH]c1=O ZINC001592018604 1167437281 /nfs/dbraw/zinc/43/72/81/1167437281.db2.gz DKPXMYMNIHIQQB-UHFFFAOYSA-N -1 1 311.305 0.852 20 0 DCADMM Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c[nH]c1=O ZINC001592018604 1167437286 /nfs/dbraw/zinc/43/72/86/1167437286.db2.gz DKPXMYMNIHIQQB-UHFFFAOYSA-N -1 1 311.305 0.852 20 0 DCADMM Cc1cc(NCC[C@@H]2CCCS2(=O)=O)nc(-c2nnn[n-]2)c1 ZINC001592046140 1167443587 /nfs/dbraw/zinc/44/35/87/1167443587.db2.gz PKPMSHKUPDVDIY-JTQLQIEISA-N -1 1 322.394 0.949 20 0 DCADMM Cc1cc(NCC[C@@H]2CCCS2(=O)=O)nc(-c2nn[n-]n2)c1 ZINC001592046140 1167443592 /nfs/dbraw/zinc/44/35/92/1167443592.db2.gz PKPMSHKUPDVDIY-JTQLQIEISA-N -1 1 322.394 0.949 20 0 DCADMM Cc1cc(NC[C@H]2CCCN(C(N)=O)C2)nc(-c2nnn[n-]2)c1 ZINC001592043284 1167444806 /nfs/dbraw/zinc/44/48/06/1167444806.db2.gz DVYMGMHCMDMOMF-SNVBAGLBSA-N -1 1 316.369 0.773 20 0 DCADMM Cc1cc(NC[C@H]2CCCN(C(N)=O)C2)nc(-c2nn[n-]n2)c1 ZINC001592043284 1167444809 /nfs/dbraw/zinc/44/48/09/1167444809.db2.gz DVYMGMHCMDMOMF-SNVBAGLBSA-N -1 1 316.369 0.773 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001592110224 1167457809 /nfs/dbraw/zinc/45/78/09/1167457809.db2.gz LOVLBAGZQQZNLL-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001592110224 1167457818 /nfs/dbraw/zinc/45/78/18/1167457818.db2.gz LOVLBAGZQQZNLL-XHDPSFHLSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCC[C@@H]1CC(=O)N(C)C1 ZINC001592113048 1167458943 /nfs/dbraw/zinc/45/89/43/1167458943.db2.gz DJPBFMLGCAIVMF-SNVBAGLBSA-N -1 1 301.354 0.850 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001592109918 1167459388 /nfs/dbraw/zinc/45/93/88/1167459388.db2.gz HZQPVUKUMNNISJ-QWRGUYRKSA-N -1 1 313.365 0.675 20 0 DCADMM Cc1ccc(C[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592148429 1167463301 /nfs/dbraw/zinc/46/33/01/1167463301.db2.gz QSXVNTGXVMXNEO-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccc(C[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592148429 1167463305 /nfs/dbraw/zinc/46/33/05/1167463305.db2.gz QSXVNTGXVMXNEO-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1ccc(C(N)=O)cc1OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592136627 1167464229 /nfs/dbraw/zinc/46/42/29/1167464229.db2.gz RGINTLDYSAOILG-UHFFFAOYSA-N -1 1 324.300 0.888 20 0 DCADMM Cc1ccc(C(N)=O)cc1OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592136627 1167464232 /nfs/dbraw/zinc/46/42/32/1167464232.db2.gz RGINTLDYSAOILG-UHFFFAOYSA-N -1 1 324.300 0.888 20 0 DCADMM Cc1ccc(NCC2(S(C)(=O)=O)CC2)nc1-c1nnn[n-]1 ZINC001592183936 1167473893 /nfs/dbraw/zinc/47/38/93/1167473893.db2.gz ZIFGHBGINMZJSE-UHFFFAOYSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc(NCC2(S(C)(=O)=O)CC2)nc1-c1nn[n-]n1 ZINC001592183936 1167473897 /nfs/dbraw/zinc/47/38/97/1167473897.db2.gz ZIFGHBGINMZJSE-UHFFFAOYSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1cccc(C[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001592230608 1167478698 /nfs/dbraw/zinc/47/86/98/1167478698.db2.gz YSHCXHJYINJTJM-LBPRGKRZSA-N -1 1 311.349 0.403 20 0 DCADMM Cc1ccn([C@@H](C)CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001592264699 1167480045 /nfs/dbraw/zinc/48/00/45/1167480045.db2.gz AHWSUODDLWKZOX-QMMMGPOBSA-N -1 1 301.314 0.685 20 0 DCADMM Cc1ccn([C@@H](C)CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001592264699 1167480048 /nfs/dbraw/zinc/48/00/48/1167480048.db2.gz AHWSUODDLWKZOX-QMMMGPOBSA-N -1 1 301.314 0.685 20 0 DCADMM Cc1cn(C)nc1C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001592284935 1167485036 /nfs/dbraw/zinc/48/50/36/1167485036.db2.gz HWCHVRJEFCIJGR-UHFFFAOYSA-N -1 1 318.366 0.950 20 0 DCADMM Cc1cn(C)nc1C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001592284935 1167485041 /nfs/dbraw/zinc/48/50/41/1167485041.db2.gz HWCHVRJEFCIJGR-UHFFFAOYSA-N -1 1 318.366 0.950 20 0 DCADMM Cc1cnn(CCC(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)c1 ZINC001592302725 1167486252 /nfs/dbraw/zinc/48/62/52/1167486252.db2.gz IINGZQLMYZACNB-UHFFFAOYSA-N -1 1 313.321 0.872 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccn(CC(F)F)n2)c1-c1nn[n-]n1 ZINC001592332677 1167490635 /nfs/dbraw/zinc/49/06/35/1167490635.db2.gz NRPLCHZEOHVXQX-UHFFFAOYSA-N -1 1 323.267 0.612 20 0 DCADMM Cc1nc(NCc2ncc(Cl)n2C)cc(-c2nnn[n-]2)n1 ZINC001592393988 1167511957 /nfs/dbraw/zinc/51/19/57/1167511957.db2.gz MDCBPCTVWKGEHR-UHFFFAOYSA-N -1 1 305.733 0.964 20 0 DCADMM Cc1nc(NCc2ncc(Cl)n2C)cc(-c2nn[n-]n2)n1 ZINC001592393988 1167511961 /nfs/dbraw/zinc/51/19/61/1167511961.db2.gz MDCBPCTVWKGEHR-UHFFFAOYSA-N -1 1 305.733 0.964 20 0 DCADMM Cc1nc2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cc2o1 ZINC001592403863 1167515966 /nfs/dbraw/zinc/51/59/66/1167515966.db2.gz HZPVFXBLZJNGGR-UHFFFAOYSA-N -1 1 310.277 0.784 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC001592415493 1167517739 /nfs/dbraw/zinc/51/77/39/1167517739.db2.gz DPSHXNOGDBHAHP-GFCCVEGCSA-N -1 1 320.393 0.840 20 0 DCADMM Cc1nn(C)c(NC(=O)C=Cc2cn(C)cn2)c1-c1nnn[n-]1 ZINC001592433534 1167521028 /nfs/dbraw/zinc/52/10/28/1167521028.db2.gz DYMXXTIPSGTMFP-PLNGDYQASA-N -1 1 313.325 0.294 20 0 DCADMM Cc1nn(C)c(NC(=O)C=Cc2cn(C)cn2)c1-c1nn[n-]n1 ZINC001592433534 1167521036 /nfs/dbraw/zinc/52/10/36/1167521036.db2.gz DYMXXTIPSGTMFP-PLNGDYQASA-N -1 1 313.325 0.294 20 0 DCADMM Cc1nn(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c2ncccc12 ZINC001592435845 1167521722 /nfs/dbraw/zinc/52/17/22/1167521722.db2.gz ALORCGLEMSYUGM-UHFFFAOYSA-N -1 1 324.308 0.039 20 0 DCADMM Cc1nn(C)cc1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001592435639 1167522294 /nfs/dbraw/zinc/52/22/94/1167522294.db2.gz SKWNZSPVECMNOD-UHFFFAOYSA-N -1 1 304.339 0.546 20 0 DCADMM Cc1nn(C)cc1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001592435639 1167522301 /nfs/dbraw/zinc/52/23/01/1167522301.db2.gz SKWNZSPVECMNOD-UHFFFAOYSA-N -1 1 304.339 0.546 20 0 DCADMM Cc1nn(CCc2cscn2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437687 1167523595 /nfs/dbraw/zinc/52/35/95/1167523595.db2.gz ZJTQKCHSTSQHJP-UHFFFAOYSA-N -1 1 303.351 0.739 20 0 DCADMM Cc1noc(C)c1CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592457921 1167529771 /nfs/dbraw/zinc/52/97/71/1167529771.db2.gz BMMSNARANMCFGC-UHFFFAOYSA-N -1 1 300.326 0.728 20 0 DCADMM Cc1nsc(N(C)C(=O)C[C@@H]2CCNC2=O)c1-c1nnn[n-]1 ZINC001592469187 1167532598 /nfs/dbraw/zinc/53/25/98/1167532598.db2.gz XMZMRLOGRCZNIL-ZETCQYMHSA-N -1 1 321.366 0.121 20 0 DCADMM Cc1nsc(N(C)C(=O)C[C@@H]2CCNC2=O)c1-c1nn[n-]n1 ZINC001592469187 1167532604 /nfs/dbraw/zinc/53/26/04/1167532604.db2.gz XMZMRLOGRCZNIL-ZETCQYMHSA-N -1 1 321.366 0.121 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](C)CCCO)c1-c1nnn[n-]1 ZINC001592480735 1167534308 /nfs/dbraw/zinc/53/43/08/1167534308.db2.gz SIHCHEUOMNXLKI-ZCFIWIBFSA-N -1 1 311.371 0.914 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](C)CCCO)c1-c1nn[n-]n1 ZINC001592480735 1167534313 /nfs/dbraw/zinc/53/43/13/1167534313.db2.gz SIHCHEUOMNXLKI-ZCFIWIBFSA-N -1 1 311.371 0.914 20 0 DCADMM Cc1nsc(N[C@@H](CO)Cc2cnn(C)c2)c1-c1nn[n-]n1 ZINC001592482553 1167538375 /nfs/dbraw/zinc/53/83/75/1167538375.db2.gz AHNAHBNIGZHZOY-SECBINFHSA-N -1 1 320.382 0.381 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1CCNC(=O)CC1 ZINC001592503029 1167542546 /nfs/dbraw/zinc/54/25/46/1167542546.db2.gz ABLQSJIEKNHOOI-SECBINFHSA-N -1 1 319.321 0.841 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1CCNC(=O)CC1 ZINC001592503029 1167542554 /nfs/dbraw/zinc/54/25/54/1167542554.db2.gz ABLQSJIEKNHOOI-SECBINFHSA-N -1 1 319.321 0.841 20 0 DCADMM Cc1occc1CN(C)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592511084 1167544891 /nfs/dbraw/zinc/54/48/91/1167544891.db2.gz BVRFYCOEKLKYRO-MRVPVSSYSA-N -1 1 316.325 0.579 20 0 DCADMM Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592578127 1167568197 /nfs/dbraw/zinc/56/81/97/1167568197.db2.gz ZIOKQHHNZZRRJU-LLVKDONJSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592578127 1167568200 /nfs/dbraw/zinc/56/82/00/1167568200.db2.gz ZIOKQHHNZZRRJU-LLVKDONJSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592577760 1167568736 /nfs/dbraw/zinc/56/87/36/1167568736.db2.gz RAHAWUIUHBZAPE-LLVKDONJSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592577760 1167568740 /nfs/dbraw/zinc/56/87/40/1167568740.db2.gz RAHAWUIUHBZAPE-LLVKDONJSA-N -1 1 324.348 0.803 20 0 DCADMM Cn1cncc1CCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592590516 1167572516 /nfs/dbraw/zinc/57/25/16/1167572516.db2.gz MJXGDXMMHNCNQX-UHFFFAOYSA-N -1 1 313.321 0.877 20 0 DCADMM Cn1nc(N)c2c1CN(c1snc(Cl)c1-c1nnn[n-]1)C2 ZINC001592595209 1167575901 /nfs/dbraw/zinc/57/59/01/1167575901.db2.gz TWPRKQXOGIGRGK-UHFFFAOYSA-N -1 1 323.773 0.813 20 0 DCADMM Cn1nc(N)c2c1CN(c1snc(Cl)c1-c1nn[n-]n1)C2 ZINC001592595209 1167575908 /nfs/dbraw/zinc/57/59/08/1167575908.db2.gz TWPRKQXOGIGRGK-UHFFFAOYSA-N -1 1 323.773 0.813 20 0 DCADMM Cn1nc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)c2ccccc21 ZINC001592595514 1167576676 /nfs/dbraw/zinc/57/66/76/1167576676.db2.gz DRDSAYCLHIKBTK-UHFFFAOYSA-N -1 1 323.320 0.658 20 0 DCADMM Cn1nc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)c2ccccc21 ZINC001592595514 1167576681 /nfs/dbraw/zinc/57/66/81/1167576681.db2.gz DRDSAYCLHIKBTK-UHFFFAOYSA-N -1 1 323.320 0.658 20 0 DCADMM Cn1ncc(CCCOC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC001592601088 1167579857 /nfs/dbraw/zinc/57/98/57/1167579857.db2.gz HQVMFYAAASYAIS-UHFFFAOYSA-N -1 1 319.350 0.846 20 0 DCADMM Cn1ncc(CCCOC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC001592601088 1167579863 /nfs/dbraw/zinc/57/98/63/1167579863.db2.gz HQVMFYAAASYAIS-UHFFFAOYSA-N -1 1 319.350 0.846 20 0 DCADMM Cn1nccc1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592606615 1167580750 /nfs/dbraw/zinc/58/07/50/1167580750.db2.gz GJDLURSRAUQFJV-UHFFFAOYSA-N -1 1 304.339 0.983 20 0 DCADMM FC(F)CN1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592625336 1167587196 /nfs/dbraw/zinc/58/71/96/1167587196.db2.gz UIPOJUWJEPMSIA-UHFFFAOYSA-N -1 1 310.312 0.434 20 0 DCADMM NC(=O)[C@@H]1CC[C@H](C(=O)[N-]Oc2cccc(-c3nn[nH]n3)c2)C1 ZINC001592733353 1167620782 /nfs/dbraw/zinc/62/07/82/1167620782.db2.gz QKUOKEZWWRGYKR-SCZZXKLOSA-N -1 1 316.321 0.178 20 0 DCADMM NC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001592731742 1167620915 /nfs/dbraw/zinc/62/09/15/1167620915.db2.gz LQKYWQGSXJCBLJ-SCSAIBSYSA-N -1 1 314.762 0.224 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(C2CC2)[nH]c1=O ZINC001592753161 1167631360 /nfs/dbraw/zinc/63/13/60/1167631360.db2.gz PUBVWSPZIXIISR-UHFFFAOYSA-N -1 1 312.293 0.312 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@]12CCO[C@@H]1CCCC2 ZINC001592753610 1167631509 /nfs/dbraw/zinc/63/15/09/1167631509.db2.gz DCXJJRWJVHGRNK-RNCFNFMXSA-N -1 1 303.326 0.635 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC001592754707 1167633401 /nfs/dbraw/zinc/63/34/01/1167633401.db2.gz RUZBJCBNVCGFPT-UHFFFAOYSA-N -1 1 323.316 0.657 20 0 DCADMM O=C(CCC1CC1)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001592828841 1167647949 /nfs/dbraw/zinc/64/79/49/1167647949.db2.gz CENOGYOVFUIYDD-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CCC1CC1)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001592828841 1167647953 /nfs/dbraw/zinc/64/79/53/1167647953.db2.gz CENOGYOVFUIYDD-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)N1CCCO1 ZINC001592879507 1167656278 /nfs/dbraw/zinc/65/62/78/1167656278.db2.gz RGXBQVGWSULYFN-UHFFFAOYSA-N -1 1 309.717 0.491 20 0 DCADMM O=C(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)N1CCCO1 ZINC001592879507 1167656281 /nfs/dbraw/zinc/65/62/81/1167656281.db2.gz RGXBQVGWSULYFN-UHFFFAOYSA-N -1 1 309.717 0.491 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CCn2ccnc21 ZINC001592914460 1167663049 /nfs/dbraw/zinc/66/30/49/1167663049.db2.gz ACNWSBWODCPSLM-NSHDSACASA-N -1 1 310.321 0.262 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCn2ccnc21 ZINC001592914460 1167663051 /nfs/dbraw/zinc/66/30/51/1167663051.db2.gz ACNWSBWODCPSLM-NSHDSACASA-N -1 1 310.321 0.262 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1C[C@@H](O)CC(F)(F)C1 ZINC001592913678 1167663729 /nfs/dbraw/zinc/66/37/29/1167663729.db2.gz NFGGWROSHXEKCG-VIFPVBQESA-N -1 1 324.291 0.033 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1C[C@@H](O)CC(F)(F)C1 ZINC001592913678 1167663732 /nfs/dbraw/zinc/66/37/32/1167663732.db2.gz NFGGWROSHXEKCG-VIFPVBQESA-N -1 1 324.291 0.033 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC[C@H]1CCOC1=O ZINC001592915724 1167666466 /nfs/dbraw/zinc/66/64/66/1167666466.db2.gz ZZHIHQXDTOTUEZ-JTQLQIEISA-N -1 1 317.305 0.301 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC[C@H]1CCOC1=O ZINC001592915724 1167666470 /nfs/dbraw/zinc/66/64/70/1167666470.db2.gz ZZHIHQXDTOTUEZ-JTQLQIEISA-N -1 1 317.305 0.301 20 0 DCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)c1ccncc1Cl ZINC001592937959 1167667550 /nfs/dbraw/zinc/66/75/50/1167667550.db2.gz SFNNITRIKQXPDC-UHFFFAOYSA-N -1 1 316.708 0.960 20 0 DCADMM O=C(N[C@H](c1ncon1)C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001592955481 1167674009 /nfs/dbraw/zinc/67/40/09/1167674009.db2.gz RSODGGHKHAPADE-JTQLQIEISA-N -1 1 312.293 0.526 20 0 DCADMM O=C(N[C@H](c1ncon1)C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001592955481 1167674014 /nfs/dbraw/zinc/67/40/14/1167674014.db2.gz RSODGGHKHAPADE-JTQLQIEISA-N -1 1 312.293 0.526 20 0 DCADMM O=C(N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1coc(-c2nnn[n-]2)c1 ZINC001592966198 1167675827 /nfs/dbraw/zinc/67/58/27/1167675827.db2.gz TVMUIMYUFUOFEX-AYPAVAEKSA-N -1 1 301.306 0.613 20 0 DCADMM O=C(N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1coc(-c2nn[n-]n2)c1 ZINC001592966198 1167675831 /nfs/dbraw/zinc/67/58/31/1167675831.db2.gz TVMUIMYUFUOFEX-AYPAVAEKSA-N -1 1 301.306 0.613 20 0 DCADMM O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1coc(-c2nnn[n-]2)c1 ZINC001592972279 1167677052 /nfs/dbraw/zinc/67/70/52/1167677052.db2.gz JMAJZFLJIXJTTA-ZJUUUORDSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1coc(-c2nn[n-]n2)c1 ZINC001592972279 1167677055 /nfs/dbraw/zinc/67/70/55/1167677055.db2.gz JMAJZFLJIXJTTA-ZJUUUORDSA-N -1 1 316.321 0.343 20 0 DCADMM O=C(N[C@H]1CCCc2c[nH]nc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001592986038 1167678292 /nfs/dbraw/zinc/67/82/92/1167678292.db2.gz SDVOIAFMJJPDJI-JTQLQIEISA-N -1 1 310.321 0.792 20 0 DCADMM O=C(N[C@@H]1CCCN(CCF)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592979622 1167678404 /nfs/dbraw/zinc/67/84/04/1167678404.db2.gz WLZQIOHMPAKXIX-LLVKDONJSA-N -1 1 319.344 0.425 20 0 DCADMM O=C(N[C@H]1CCCc2c[nH]nc21)c1cccc(-c2nn[n-]n2)n1 ZINC001592986054 1167679985 /nfs/dbraw/zinc/67/99/85/1167679985.db2.gz SZVUQAJTIXHWEX-VIFPVBQESA-N -1 1 310.321 0.792 20 0 DCADMM O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccsc1-c1nnn[n-]1 ZINC001592997444 1167681446 /nfs/dbraw/zinc/68/14/46/1167681446.db2.gz VOFWYXHTGBGWBF-QMMMGPOBSA-N -1 1 315.362 0.939 20 0 DCADMM O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccsc1-c1nn[n-]n1 ZINC001592997444 1167681450 /nfs/dbraw/zinc/68/14/50/1167681450.db2.gz VOFWYXHTGBGWBF-QMMMGPOBSA-N -1 1 315.362 0.939 20 0 DCADMM O=C(NC[C@H](O)C1CCOCC1)c1ccsc1-c1nnn[n-]1 ZINC001593012473 1167686281 /nfs/dbraw/zinc/68/62/81/1167686281.db2.gz IAHLYEFBGNIGAN-JTQLQIEISA-N -1 1 323.378 0.446 20 0 DCADMM O=C(NC[C@H](O)C1CCOCC1)c1ccsc1-c1nn[n-]n1 ZINC001593012473 1167686285 /nfs/dbraw/zinc/68/62/85/1167686285.db2.gz IAHLYEFBGNIGAN-JTQLQIEISA-N -1 1 323.378 0.446 20 0 DCADMM O=C(NC[C@H](O)c1ccsc1)c1coc(-c2nnn[n-]2)c1 ZINC001593014203 1167688060 /nfs/dbraw/zinc/68/80/60/1167688060.db2.gz WOISYEDAZUCHBC-VIFPVBQESA-N -1 1 305.319 0.985 20 0 DCADMM O=C(NC[C@H](O)c1ccsc1)c1coc(-c2nn[n-]n2)c1 ZINC001593014203 1167688065 /nfs/dbraw/zinc/68/80/65/1167688065.db2.gz WOISYEDAZUCHBC-VIFPVBQESA-N -1 1 305.319 0.985 20 0 DCADMM O=C(NC[C@@H]1CC2(CCC2)CO1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593028867 1167690888 /nfs/dbraw/zinc/69/08/88/1167690888.db2.gz SMIFCSMFELUANU-NSHDSACASA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NC[C@@H]1CC2(CCC2)CO1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593028867 1167690892 /nfs/dbraw/zinc/69/08/92/1167690892.db2.gz SMIFCSMFELUANU-NSHDSACASA-N -1 1 314.349 0.951 20 0 DCADMM O=C(NCCF)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593081668 1167700444 /nfs/dbraw/zinc/70/04/44/1167700444.db2.gz GPOOWPOTMQSDMO-UHFFFAOYSA-N -1 1 304.207 0.980 20 0 DCADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)C1(CF)CCC1 ZINC001593095665 1167705679 /nfs/dbraw/zinc/70/56/79/1167705679.db2.gz KBRVKIYKOCOMMY-UHFFFAOYSA-N -1 1 320.332 0.325 20 0 DCADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)C1(CF)CCC1 ZINC001593095665 1167705687 /nfs/dbraw/zinc/70/56/87/1167705687.db2.gz KBRVKIYKOCOMMY-UHFFFAOYSA-N -1 1 320.332 0.325 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NC1(C2CC2)CCC1 ZINC001593112111 1167710830 /nfs/dbraw/zinc/71/08/30/1167710830.db2.gz SMYIOMINHBEHJA-UHFFFAOYSA-N -1 1 317.357 0.090 20 0 DCADMM O=C(NCc1ccc[nH]c1=O)c1csc(-c2nn[n-]n2)c1 ZINC001593141151 1167720362 /nfs/dbraw/zinc/72/03/62/1167720362.db2.gz SNODNUGAJBOVBB-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@@H]1CC[C@H](O)C1 ZINC001593151386 1167727909 /nfs/dbraw/zinc/72/79/09/1167727909.db2.gz WWLURBXSIBCCQI-SFYZADRCSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@@H]1CC[C@H](O)C1 ZINC001593151386 1167727916 /nfs/dbraw/zinc/72/79/16/1167727916.db2.gz WWLURBXSIBCCQI-SFYZADRCSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593172376 1167733552 /nfs/dbraw/zinc/73/35/52/1167733552.db2.gz IXXROARBRXIRIL-IONNQARKSA-N -1 1 321.287 0.812 20 0 DCADMM O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593172376 1167733559 /nfs/dbraw/zinc/73/35/59/1167733559.db2.gz IXXROARBRXIRIL-IONNQARKSA-N -1 1 321.287 0.812 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H](CO)CC1CC1 ZINC001593243845 1167744714 /nfs/dbraw/zinc/74/47/14/1167744714.db2.gz JBODQCAPOAGRIJ-VIFPVBQESA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H](CO)CC1CC1 ZINC001593243845 1167744720 /nfs/dbraw/zinc/74/47/20/1167744720.db2.gz JBODQCAPOAGRIJ-VIFPVBQESA-N -1 1 303.326 0.544 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001593255365 1167745930 /nfs/dbraw/zinc/74/59/30/1167745930.db2.gz FSOVDQZTYHEFDR-XXILOJSOSA-N -1 1 315.337 0.639 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001593255365 1167745938 /nfs/dbraw/zinc/74/59/38/1167745938.db2.gz FSOVDQZTYHEFDR-XXILOJSOSA-N -1 1 315.337 0.639 20 0 DCADMM O=C(O[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593280848 1167756578 /nfs/dbraw/zinc/75/65/78/1167756578.db2.gz BJTMZGIIRAQETM-MRVPVSSYSA-N -1 1 303.278 0.380 20 0 DCADMM O=C(OCCO[C@H]1CCCCO1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593290563 1167763120 /nfs/dbraw/zinc/76/31/20/1167763120.db2.gz PARLBPIVRQCPEW-LBPRGKRZSA-N -1 1 319.321 0.962 20 0 DCADMM O=C(OCCO[C@H]1CCCCO1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593290563 1167763127 /nfs/dbraw/zinc/76/31/27/1167763127.db2.gz PARLBPIVRQCPEW-LBPRGKRZSA-N -1 1 319.321 0.962 20 0 DCADMM O=C(O[C@@H]1CCN2C(=O)OC[C@H]12)c1cccc(-c2nnn[n-]2)n1 ZINC001593308378 1167765751 /nfs/dbraw/zinc/76/57/51/1167765751.db2.gz YCAMUNCUWYIEPU-NXEZZACHSA-N -1 1 316.277 0.012 20 0 DCADMM O=C(O[C@@H]1CCN2C(=O)OC[C@H]12)c1cccc(-c2nn[n-]n2)n1 ZINC001593308378 1167765759 /nfs/dbraw/zinc/76/57/59/1167765759.db2.gz YCAMUNCUWYIEPU-NXEZZACHSA-N -1 1 316.277 0.012 20 0 DCADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCC[C@@H](O)C1 ZINC001593314942 1167768853 /nfs/dbraw/zinc/76/88/53/1167768853.db2.gz DSJSBKYODPAABL-SECBINFHSA-N -1 1 312.333 0.945 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCO[C@@H]2C[C@@H]21 ZINC001593335020 1167775638 /nfs/dbraw/zinc/77/56/38/1167775638.db2.gz GHXMOKDDLGBPCP-DTWKUNHWSA-N -1 1 306.713 0.528 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001593337284 1167778145 /nfs/dbraw/zinc/77/81/45/1167778145.db2.gz UOAKCMYWCUJODN-DGCLKSJQSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001593337284 1167778151 /nfs/dbraw/zinc/77/81/51/1167778151.db2.gz UOAKCMYWCUJODN-DGCLKSJQSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001593338599 1167778514 /nfs/dbraw/zinc/77/85/14/1167778514.db2.gz FRBHFKSWEGPHFT-GZMMTYOYSA-N -1 1 305.294 0.090 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001593338599 1167778519 /nfs/dbraw/zinc/77/85/19/1167778519.db2.gz FRBHFKSWEGPHFT-GZMMTYOYSA-N -1 1 305.294 0.090 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@](O)(C2CC2)C1 ZINC001593336888 1167779412 /nfs/dbraw/zinc/77/94/12/1167779412.db2.gz IEFPROWPVQJULP-OAHLLOKOSA-N -1 1 314.349 0.639 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@](O)(C2CC2)C1 ZINC001593336888 1167779421 /nfs/dbraw/zinc/77/94/21/1167779421.db2.gz IEFPROWPVQJULP-OAHLLOKOSA-N -1 1 314.349 0.639 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1C[C@@H]2COC[C@H](C1)O2 ZINC001593339821 1167782085 /nfs/dbraw/zinc/78/20/85/1167782085.db2.gz YZZGTRPAFHBSLB-OCAPTIKFSA-N -1 1 307.335 0.168 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1C[C@@H]2COC[C@H](C1)O2 ZINC001593339821 1167782092 /nfs/dbraw/zinc/78/20/92/1167782092.db2.gz YZZGTRPAFHBSLB-OCAPTIKFSA-N -1 1 307.335 0.168 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@@H]1C1CCC1 ZINC001593340975 1167782559 /nfs/dbraw/zinc/78/25/59/1167782559.db2.gz SBXGOSBNIBUJOV-CYBMUJFWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@@H]1C1CCC1 ZINC001593340975 1167782568 /nfs/dbraw/zinc/78/25/68/1167782568.db2.gz SBXGOSBNIBUJOV-CYBMUJFWSA-N -1 1 314.349 0.903 20 0 DCADMM O=C1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1c1ccccc1 ZINC001593378483 1167792638 /nfs/dbraw/zinc/79/26/38/1167792638.db2.gz NUPUMWMBHUAURR-NSHDSACASA-N -1 1 308.305 0.484 20 0 DCADMM O=C1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1c1ccccc1 ZINC001593378483 1167792646 /nfs/dbraw/zinc/79/26/46/1167792646.db2.gz NUPUMWMBHUAURR-NSHDSACASA-N -1 1 308.305 0.484 20 0 DCADMM O=C1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C(=O)N1 ZINC001593391531 1167801150 /nfs/dbraw/zinc/80/11/50/1167801150.db2.gz YCMIDECPVVEQFT-GSVOUGTGSA-N -1 1 313.730 0.194 20 0 DCADMM O=C1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C(=O)N1 ZINC001593391531 1167801168 /nfs/dbraw/zinc/80/11/68/1167801168.db2.gz YCMIDECPVVEQFT-GSVOUGTGSA-N -1 1 313.730 0.194 20 0 DCADMM O=C1CN(Cc2csc(-c3nn[n-]n3)c2)CN1CC1CC1 ZINC001593398663 1167810816 /nfs/dbraw/zinc/81/08/16/1167810816.db2.gz DFKDLPWXNYVJKC-UHFFFAOYSA-N -1 1 304.379 0.940 20 0 DCADMM O=C(OC[C@H]1CCCC(=O)N1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593395424 1167810954 /nfs/dbraw/zinc/81/09/54/1167810954.db2.gz JXCPMNLJNJDHPS-SECBINFHSA-N -1 1 302.294 0.087 20 0 DCADMM O=C(OC[C@H]1CCCC(=O)N1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593395424 1167810965 /nfs/dbraw/zinc/81/09/65/1167810965.db2.gz JXCPMNLJNJDHPS-SECBINFHSA-N -1 1 302.294 0.087 20 0 DCADMM O=C1N[C@@H](CC2CC2)C(=O)N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593402196 1167816340 /nfs/dbraw/zinc/81/63/40/1167816340.db2.gz KFURFVLVAHWOES-ZETCQYMHSA-N -1 1 319.350 0.544 20 0 DCADMM O=C1N[C@@H](CC2CC2)C(=O)N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593402196 1167816348 /nfs/dbraw/zinc/81/63/48/1167816348.db2.gz KFURFVLVAHWOES-ZETCQYMHSA-N -1 1 319.350 0.544 20 0 DCADMM O=C1N[C@@H](c2csc(-c3nn[n-]n3)c2)N2CCSC[C@H]12 ZINC001593412689 1167822568 /nfs/dbraw/zinc/82/25/68/1167822568.db2.gz BJVVTCISAGUBAY-GMSGAONNSA-N -1 1 308.392 0.474 20 0 DCADMM O=C1OCC[C@@H]2CN(Cc3cccc(-c4nn[n-]n4)n3)CCN12 ZINC001593414716 1167828248 /nfs/dbraw/zinc/82/82/48/1167828248.db2.gz LVSDNFNMLRYTKN-LLVKDONJSA-N -1 1 315.337 0.288 20 0 DCADMM O=S(=O)(NC1CC2(CCC2)C1)c1cccnc1-c1nn[n-]n1 ZINC001593433342 1167835580 /nfs/dbraw/zinc/83/55/80/1167835580.db2.gz DFUIJRPQQWIMEK-UHFFFAOYSA-N -1 1 320.378 0.873 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@H]1CCC2(CCCC2)O1 ZINC001593489150 1167872109 /nfs/dbraw/zinc/87/21/09/1167872109.db2.gz BLYOOXPTNPRSIT-SECBINFHSA-N -1 1 318.337 0.621 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1cnnn1-c1ccccc1 ZINC001593494656 1167875470 /nfs/dbraw/zinc/87/54/70/1167875470.db2.gz NPOMJTOCFGTTAR-UHFFFAOYSA-N -1 1 321.304 0.052 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1CCc1ccc2c(c1)CCO2 ZINC001593493441 1167876278 /nfs/dbraw/zinc/87/62/78/1167876278.db2.gz HYPFZBTXCTXEOY-UHFFFAOYSA-N -1 1 310.317 0.601 20 0 DCADMM O[C@@]1(C(F)(F)F)CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001593509550 1167889927 /nfs/dbraw/zinc/88/99/27/1167889927.db2.gz NTMPKUKRGBDTLB-VIFPVBQESA-N -1 1 301.232 0.160 20 0 DCADMM O[C@@]1(C(F)(F)F)CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001593509550 1167889935 /nfs/dbraw/zinc/88/99/35/1167889935.db2.gz NTMPKUKRGBDTLB-VIFPVBQESA-N -1 1 301.232 0.160 20 0 DCADMM OC1(c2ccc(Nc3cc(-c4nnn[n-]4)ncn3)cc2)COC1 ZINC001593514841 1167891170 /nfs/dbraw/zinc/89/11/70/1167891170.db2.gz IEJUTODMPWMDMY-UHFFFAOYSA-N -1 1 311.305 0.618 20 0 DCADMM OC1(c2ccc(Nc3cc(-c4nn[n-]n4)ncn3)cc2)COC1 ZINC001593514841 1167891179 /nfs/dbraw/zinc/89/11/79/1167891179.db2.gz IEJUTODMPWMDMY-UHFFFAOYSA-N -1 1 311.305 0.618 20 0 DCADMM O[C@H]1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1(F)F ZINC001593520845 1167895731 /nfs/dbraw/zinc/89/57/31/1167895731.db2.gz XEKUHUIJJMVQGY-ZETCQYMHSA-N -1 1 302.310 0.525 20 0 DCADMM O[C@H]1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1(F)F ZINC001593520845 1167895723 /nfs/dbraw/zinc/89/57/23/1167895723.db2.gz XEKUHUIJJMVQGY-ZETCQYMHSA-N -1 1 302.310 0.525 20 0 DCADMM OC[C@@H](Cc1cncs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001593521530 1167896320 /nfs/dbraw/zinc/89/63/20/1167896320.db2.gz WLUHEUAJXPDMFX-SSDOTTSWSA-N -1 1 304.339 0.129 20 0 DCADMM OC[C@@H](Cc1cncs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001593521530 1167896327 /nfs/dbraw/zinc/89/63/27/1167896327.db2.gz WLUHEUAJXPDMFX-SSDOTTSWSA-N -1 1 304.339 0.129 20 0 DCADMM OC[C@H](CNc1cncc(-c2nnn[n-]2)n1)Cc1ccoc1 ZINC001593525789 1167899950 /nfs/dbraw/zinc/89/99/50/1167899950.db2.gz YFQANLDMSRVRBB-JTQLQIEISA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@H](CNc1cncc(-c2nn[n-]n2)n1)Cc1ccoc1 ZINC001593525789 1167899958 /nfs/dbraw/zinc/89/99/58/1167899958.db2.gz YFQANLDMSRVRBB-JTQLQIEISA-N -1 1 301.310 0.513 20 0 DCADMM c1nc(CNc2cc(-c3nnn[n-]3)ncn2)n(-c2ccccc2)n1 ZINC001593570819 1167945287 /nfs/dbraw/zinc/94/52/87/1167945287.db2.gz LQCQBXHGBQXDBW-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nc(CNc2cc(-c3nn[n-]n3)ncn2)n(-c2ccccc2)n1 ZINC001593570819 1167945294 /nfs/dbraw/zinc/94/52/94/1167945294.db2.gz LQCQBXHGBQXDBW-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N2CCOCC3(CCOCC3)C2)c1 ZINC001593583304 1167950265 /nfs/dbraw/zinc/95/02/65/1167950265.db2.gz WINMQFRLXVDMBK-UHFFFAOYSA-N -1 1 316.365 0.895 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N2CCOCC3(CCOCC3)C2)c1 ZINC001593583304 1167950269 /nfs/dbraw/zinc/95/02/69/1167950269.db2.gz WINMQFRLXVDMBK-UHFFFAOYSA-N -1 1 316.365 0.895 20 0 DCADMM c1nc(-c2nn[n-]n2)nn1CCNc1nc(C2CC2)ns1 ZINC001593590371 1167955364 /nfs/dbraw/zinc/95/53/64/1167955364.db2.gz 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DCADMM C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]1C ZINC001603902123 1169427375 /nfs/dbraw/zinc/42/73/75/1169427375.db2.gz TVXBBGZDLKIYGG-IUCAKERBSA-N -1 1 315.337 0.457 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@H](C)[C@H]1O ZINC001603924843 1169436711 /nfs/dbraw/zinc/43/67/11/1169436711.db2.gz PZBPHEJEIUUMEG-GDGBQDQQSA-N -1 1 317.353 0.742 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@H](C)[C@H]1O ZINC001603924843 1169436726 /nfs/dbraw/zinc/43/67/26/1169436726.db2.gz PZBPHEJEIUUMEG-GDGBQDQQSA-N -1 1 317.353 0.742 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H](CO)O1 ZINC001603930089 1169438975 /nfs/dbraw/zinc/43/89/75/1169438975.db2.gz DYKZARCZKIGGOV-YUMQZZPRSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H](CO)O1 ZINC001603930089 1169438978 /nfs/dbraw/zinc/43/89/78/1169438978.db2.gz DYKZARCZKIGGOV-YUMQZZPRSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)C[C@H](C)S1 ZINC001603936086 1169441276 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C/C=C(\C)C(=O)NC[C@@H](CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603960949 1169453495 /nfs/dbraw/zinc/45/34/95/1169453495.db2.gz GDWFEDITSFYNRF-WXLQGSQKSA-N -1 1 316.369 0.352 20 0 DCADMM CCC(=O)N[C@H](C)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001603969978 1169456964 /nfs/dbraw/zinc/45/69/64/1169456964.db2.gz HYDRMWYGFWYKLB-ZCFIWIBFSA-N -1 1 318.341 0.320 20 0 DCADMM CCC(=O)N1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001603970814 1169457119 /nfs/dbraw/zinc/45/71/19/1169457119.db2.gz RGJZLSMBHUKFIN-UHFFFAOYSA-N -1 1 318.312 0.658 20 0 DCADMM CCC(=O)N1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001603970814 1169457124 /nfs/dbraw/zinc/45/71/24/1169457124.db2.gz RGJZLSMBHUKFIN-UHFFFAOYSA-N -1 1 318.312 0.658 20 0 DCADMM CCC(=O)N(C)CCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001603968054 1169457413 /nfs/dbraw/zinc/45/74/13/1169457413.db2.gz TUVPDMVJQNYBFS-UHFFFAOYSA-N -1 1 318.385 0.660 20 0 DCADMM CCC(=O)N(C)CCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001603968054 1169457419 /nfs/dbraw/zinc/45/74/19/1169457419.db2.gz TUVPDMVJQNYBFS-UHFFFAOYSA-N -1 1 318.385 0.660 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001603992571 1169465438 /nfs/dbraw/zinc/46/54/38/1169465438.db2.gz PZIYXOARGXLKSL-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001603992571 1169465445 /nfs/dbraw/zinc/46/54/45/1169465445.db2.gz PZIYXOARGXLKSL-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)[C@@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)OC ZINC001604001065 1169467161 /nfs/dbraw/zinc/46/71/61/1169467161.db2.gz TUILQTQVZXAJEG-LDYMZIIASA-N -1 1 322.369 0.883 20 0 DCADMM CC[C@@H](C)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)OC ZINC001604001065 1169467168 /nfs/dbraw/zinc/46/71/68/1169467168.db2.gz TUILQTQVZXAJEG-LDYMZIIASA-N -1 1 322.369 0.883 20 0 DCADMM CC[C@H](CNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)OC ZINC001604034142 1169474077 /nfs/dbraw/zinc/47/40/77/1169474077.db2.gz JAPMDCRGMAPIIK-SECBINFHSA-N -1 1 321.341 0.817 20 0 DCADMM CC[C@@H](F)C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001604044557 1169478076 /nfs/dbraw/zinc/47/80/76/1169478076.db2.gz GADNOJZZZMVCIQ-CDAZIORVSA-N -1 1 320.332 0.489 20 0 DCADMM CC[C@@H](F)C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001604044557 1169478079 /nfs/dbraw/zinc/47/80/79/1169478079.db2.gz GADNOJZZZMVCIQ-CDAZIORVSA-N -1 1 320.332 0.489 20 0 DCADMM CC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001604047478 1169478720 /nfs/dbraw/zinc/47/87/20/1169478720.db2.gz JZMKTYYJWSCMAH-SNVBAGLBSA-N -1 1 304.358 0.543 20 0 DCADMM CC[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001604050103 1169481545 /nfs/dbraw/zinc/48/15/45/1169481545.db2.gz IWEPFVMEQCWTBA-PWSUYJOCSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001604050103 1169481552 /nfs/dbraw/zinc/48/15/52/1169481552.db2.gz IWEPFVMEQCWTBA-PWSUYJOCSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)C(=O)NC ZINC001604063278 1169483837 /nfs/dbraw/zinc/48/38/37/1169483837.db2.gz CYHDJWADKFMDTD-MRVPVSSYSA-N -1 1 302.342 0.471 20 0 DCADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)C(=O)NC ZINC001604063278 1169483840 /nfs/dbraw/zinc/48/38/40/1169483840.db2.gz CYHDJWADKFMDTD-MRVPVSSYSA-N -1 1 302.342 0.471 20 0 DCADMM CCCC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001604127212 1169500443 /nfs/dbraw/zinc/50/04/43/1169500443.db2.gz ZGBFONLARBXIGB-AWEZNQCLSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001604127212 1169500449 /nfs/dbraw/zinc/50/04/49/1169500449.db2.gz ZGBFONLARBXIGB-AWEZNQCLSA-N -1 1 316.369 0.542 20 0 DCADMM CCC[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001604152034 1169507164 /nfs/dbraw/zinc/50/71/64/1169507164.db2.gz GGAGVOAIERLPMY-JTQLQIEISA-N -1 1 302.338 0.903 20 0 DCADMM CCC[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001604152034 1169507169 /nfs/dbraw/zinc/50/71/69/1169507169.db2.gz GGAGVOAIERLPMY-JTQLQIEISA-N -1 1 302.338 0.903 20 0 DCADMM CCCCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001604177107 1169514731 /nfs/dbraw/zinc/51/47/31/1169514731.db2.gz IAAAWWVWELADRP-UHFFFAOYSA-N -1 1 306.374 0.885 20 0 DCADMM CCCCCCNC(=O)COc1cnc(-c2nn[n-]n2)nc1 ZINC001604176744 1169515162 /nfs/dbraw/zinc/51/51/62/1169515162.db2.gz WJMQYSZGDJDJFQ-UHFFFAOYSA-N -1 1 305.342 0.732 20 0 DCADMM CCCCCCNC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001604176271 1169516478 /nfs/dbraw/zinc/51/64/78/1169516478.db2.gz MAUDVQFNWHVMCH-UHFFFAOYSA-N -1 1 307.362 0.338 20 0 DCADMM C[C@@H](CS(=O)(=O)N[C@H](c1nnc[nH]1)c1ccccc1)C(=O)[O-] ZINC001604208851 1169525301 /nfs/dbraw/zinc/52/53/01/1169525301.db2.gz DLGOIKAHVGOOGD-ONGXEEELSA-N -1 1 324.362 0.534 20 0 DCADMM CCCNC(=O)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001604219636 1169526194 /nfs/dbraw/zinc/52/61/94/1169526194.db2.gz NGZZWTTVDIUSJW-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM CCCNC(=O)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001604219636 1169526201 /nfs/dbraw/zinc/52/62/01/1169526201.db2.gz NGZZWTTVDIUSJW-JTQLQIEISA-N -1 1 316.369 0.399 20 0 DCADMM C[C@@](Cc1ccc(F)cc1)(NC(=O)Cc1nnc[nH]1)C(=O)[O-] ZINC001604218180 1169527224 /nfs/dbraw/zinc/52/72/24/1169527224.db2.gz AZBGKSSPTGBWAU-AWEZNQCLSA-N -1 1 306.297 0.689 20 0 DCADMM CCCNC(=O)CN(CCC)c1cncc(-c2nnn[n-]2)n1 ZINC001604221974 1169528768 /nfs/dbraw/zinc/52/87/68/1169528768.db2.gz LHNIIVUOARFWIL-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCCNC(=O)CN(CCC)c1cncc(-c2nn[n-]n2)n1 ZINC001604221974 1169528771 /nfs/dbraw/zinc/52/87/71/1169528771.db2.gz LHNIIVUOARFWIL-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1C ZINC001604260932 1169537042 /nfs/dbraw/zinc/53/70/42/1169537042.db2.gz FAKBVCJOJSXMQZ-UHFFFAOYSA-N -1 1 312.337 0.820 20 0 DCADMM C[C@H](NC(=O)CCc1nn[nH]n1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604275045 1169543663 /nfs/dbraw/zinc/54/36/63/1169543663.db2.gz IURRCAIXKXORDN-CMPLNLGQSA-N -1 1 317.349 0.581 20 0 DCADMM CCN(CC)C(=O)CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001604278964 1169544717 /nfs/dbraw/zinc/54/47/17/1169544717.db2.gz HASHANWZOWDKDL-UHFFFAOYSA-N -1 1 308.367 0.526 20 0 DCADMM CCN(CC)C(=O)CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001604278964 1169544722 /nfs/dbraw/zinc/54/47/22/1169544722.db2.gz HASHANWZOWDKDL-UHFFFAOYSA-N -1 1 308.367 0.526 20 0 DCADMM C[C@@H](NC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1nnc[nH]1 ZINC001604299131 1169549242 /nfs/dbraw/zinc/54/92/42/1169549242.db2.gz BERSIMZPWLHZAH-SSDOTTSWSA-N -1 1 307.314 0.704 20 0 DCADMM CCN(CCNC(=O)C1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001604304553 1169551368 /nfs/dbraw/zinc/55/13/68/1169551368.db2.gz FIDGINPFQWKUJO-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CCN1C[C@@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC001604336937 1169556298 /nfs/dbraw/zinc/55/62/98/1169556298.db2.gz YMLISZQAYCVVCC-VIFPVBQESA-N -1 1 316.325 0.004 20 0 DCADMM CCN1C[C@@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC001604336937 1169556303 /nfs/dbraw/zinc/55/63/03/1169556303.db2.gz YMLISZQAYCVVCC-VIFPVBQESA-N -1 1 316.325 0.004 20 0 DCADMM C[C@@H](N[C@H]1CCO[C@H]1C(=O)[O-])C(=O)c1c[nH]c2ncccc12 ZINC001604361664 1169568826 /nfs/dbraw/zinc/56/88/26/1169568826.db2.gz AWVKBGHVZJHALE-YDEJPDAXSA-N -1 1 303.318 0.966 20 0 DCADMM CCOC(=O)[C@H]1CCCN1Cc1cccc(-c2nn[n-]n2)n1 ZINC001604382613 1169578407 /nfs/dbraw/zinc/57/84/07/1169578407.db2.gz FGKPZGCAZQWTOR-GFCCVEGCSA-N -1 1 302.338 0.789 20 0 DCADMM CCOC1CC(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)C1 ZINC001604406951 1169584822 /nfs/dbraw/zinc/58/48/22/1169584822.db2.gz NDGBVKXCBFAGEH-UHFFFAOYSA-N -1 1 305.342 0.662 20 0 DCADMM CCOC1CC(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)C1 ZINC001604406951 1169584827 /nfs/dbraw/zinc/58/48/27/1169584827.db2.gz NDGBVKXCBFAGEH-UHFFFAOYSA-N -1 1 305.342 0.662 20 0 DCADMM CC1(C)CCN(CCNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001604535619 1169610382 /nfs/dbraw/zinc/61/03/82/1169610382.db2.gz YFIKYMZOZQDOHU-UHFFFAOYSA-N -1 1 315.395 0.723 20 0 DCADMM CCc1nc(N[C@@H]2CCCC[C@@H]2C(N)=O)cc(-c2nnn[n-]2)n1 ZINC001604559500 1169616227 /nfs/dbraw/zinc/61/62/27/1169616227.db2.gz RBBAXBYBFSAMQZ-DTWKUNHWSA-N -1 1 316.369 0.675 20 0 DCADMM CCc1nc(N[C@@H]2CCCC[C@@H]2C(N)=O)cc(-c2nn[n-]n2)n1 ZINC001604559500 1169616234 /nfs/dbraw/zinc/61/62/34/1169616234.db2.gz RBBAXBYBFSAMQZ-DTWKUNHWSA-N -1 1 316.369 0.675 20 0 DCADMM CCn1cc([C@@H](C)OC(=O)c2cccc(-c3nnn[n-]3)n2)nn1 ZINC001604605246 1169628700 /nfs/dbraw/zinc/62/87/00/1169628700.db2.gz UQOHYVQPKZFFIH-MRVPVSSYSA-N -1 1 314.309 0.791 20 0 DCADMM CCn1cc([C@@H](C)OC(=O)c2cccc(-c3nn[n-]n3)n2)nn1 ZINC001604605246 1169628704 /nfs/dbraw/zinc/62/87/04/1169628704.db2.gz UQOHYVQPKZFFIH-MRVPVSSYSA-N -1 1 314.309 0.791 20 0 DCADMM C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCN(CC(=O)[O-])CC1 ZINC001604656589 1169642819 /nfs/dbraw/zinc/64/28/19/1169642819.db2.gz RYQPZVVAEUEYNC-HZSPNIEDSA-N -1 1 311.426 0.582 20 0 DCADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H]1CC(C)(C)OC1=O ZINC001604658629 1169645140 /nfs/dbraw/zinc/64/51/40/1169645140.db2.gz VRDVWKRRYGCVKX-SNVBAGLBSA-N -1 1 316.321 0.428 20 0 DCADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H]1CC(C)(C)OC1=O ZINC001604658629 1169645143 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CCc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N[C@H]1CCN(C)C1 ZINC001605790206 1170003598 /nfs/dbraw/zinc/00/35/98/1170003598.db2.gz PDGDXLGNPMYXQT-LBPRGKRZSA-N -1 1 319.361 0.706 20 0 DCADMM CCn1c(=O)[nH]nc1SCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001605914278 1170025490 /nfs/dbraw/zinc/02/54/90/1170025490.db2.gz BWJRAQOJYRBUQR-MRVPVSSYSA-N -1 1 316.383 0.711 20 0 DCADMM CCn1nccc1CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001605945123 1170030935 /nfs/dbraw/zinc/03/09/35/1170030935.db2.gz ADONZYZVYQTKNX-GFCCVEGCSA-N -1 1 323.397 0.593 20 0 DCADMM Cc1ccn(CN(C)CCOCC2CC2)c(=O)c1-c1nn[n-]n1 ZINC001605949986 1170032935 /nfs/dbraw/zinc/03/29/35/1170032935.db2.gz VOWIKTUJSLDWLD-UHFFFAOYSA-N -1 1 318.381 0.653 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ncn(C(C)(C)C)n2)c1-c1nn[n-]n1 ZINC001606014371 1170048860 /nfs/dbraw/zinc/04/88/60/1170048860.db2.gz UOGOULAHOFXDQJ-UHFFFAOYSA-N -1 1 316.329 0.497 20 0 DCADMM Cc1nc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)n[nH]1 ZINC001606012907 1170049838 /nfs/dbraw/zinc/04/98/38/1170049838.db2.gz AMVDMVUGAZOVKI-UHFFFAOYSA-N -1 1 312.341 0.015 20 0 DCADMM Cc1nc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)n[nH]1 ZINC001606012907 1170049843 /nfs/dbraw/zinc/04/98/43/1170049843.db2.gz AMVDMVUGAZOVKI-UHFFFAOYSA-N -1 1 312.341 0.015 20 0 DCADMM Cc1nc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)cs1 ZINC001606043110 1170064147 /nfs/dbraw/zinc/06/41/47/1170064147.db2.gz ZSKQPXVYRKXJNT-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1nc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)cs1 ZINC001606043110 1170064152 /nfs/dbraw/zinc/06/41/52/1170064152.db2.gz ZSKQPXVYRKXJNT-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1nccnc1[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606098695 1170076023 /nfs/dbraw/zinc/07/60/23/1170076023.db2.gz KDMCKBKLKDCPPR-VIFPVBQESA-N -1 1 310.321 0.851 20 0 DCADMM Cc1nccnc1[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606098695 1170076028 /nfs/dbraw/zinc/07/60/28/1170076028.db2.gz KDMCKBKLKDCPPR-VIFPVBQESA-N -1 1 310.321 0.851 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)o1 ZINC001606119240 1170081098 /nfs/dbraw/zinc/08/10/98/1170081098.db2.gz BRPZVFLPYLPWMW-LURJTMIESA-N -1 1 300.282 0.444 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)o1 ZINC001606119240 1170081105 /nfs/dbraw/zinc/08/11/05/1170081105.db2.gz BRPZVFLPYLPWMW-LURJTMIESA-N -1 1 300.282 0.444 20 0 DCADMM C[N@@H+](CCNC(=O)c1ccc2[n-]c(=S)oc2c1)CC(=O)[O-] ZINC001606133452 1170090627 /nfs/dbraw/zinc/09/06/27/1170090627.db2.gz QAZDLIOXBPVIOX-UHFFFAOYSA-N -1 1 309.347 0.863 20 0 DCADMM Cc1noc([C@@H]2CCCN(c3ncncc3-c3nn[n-]n3)C2)n1 ZINC001606132448 1170091108 /nfs/dbraw/zinc/09/11/08/1170091108.db2.gz RKIRKTRIDYEHHH-SECBINFHSA-N -1 1 313.325 0.732 20 0 DCADMM Cc1nsc(N(C)C(=O)CCn2ccnn2)c1-c1nnn[n-]1 ZINC001606139398 1170091348 /nfs/dbraw/zinc/09/13/48/1170091348.db2.gz LCWGAHPQNRVDJV-UHFFFAOYSA-N -1 1 319.354 0.276 20 0 DCADMM Cc1nsc(N(C)C(=O)CCn2ccnn2)c1-c1nn[n-]n1 ZINC001606139398 1170091351 /nfs/dbraw/zinc/09/13/51/1170091351.db2.gz LCWGAHPQNRVDJV-UHFFFAOYSA-N -1 1 319.354 0.276 20 0 DCADMM CN(Cc1ccc(C(=O)[O-])cn1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC001606155198 1170095392 /nfs/dbraw/zinc/09/53/92/1170095392.db2.gz AQEMGFWEHVPECO-CABCVRRESA-N -1 1 324.377 0.768 20 0 DCADMM Cc1nsc(NC[C@H]2CCCS2(=O)=O)c1-c1nn[n-]n1 ZINC001606158159 1170098508 /nfs/dbraw/zinc/09/85/08/1170098508.db2.gz FACGEHUMDMCFLB-SSDOTTSWSA-N -1 1 314.396 0.621 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC(=O)N1CCCCC1 ZINC001606167540 1170099410 /nfs/dbraw/zinc/09/94/10/1170099410.db2.gz OWPXNLADOBMLGT-UHFFFAOYSA-N -1 1 318.337 0.510 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC(=O)N1CCCCC1 ZINC001606167540 1170099418 /nfs/dbraw/zinc/09/94/18/1170099418.db2.gz OWPXNLADOBMLGT-UHFFFAOYSA-N -1 1 318.337 0.510 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC([C@H]2CCOC2)C1 ZINC001606166824 1170100940 /nfs/dbraw/zinc/10/09/40/1170100940.db2.gz VXRRQBZLROGKAA-VIFPVBQESA-N -1 1 303.322 0.877 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC([C@H]2CCOC2)C1 ZINC001606166824 1170100942 /nfs/dbraw/zinc/10/09/42/1170100942.db2.gz VXRRQBZLROGKAA-VIFPVBQESA-N -1 1 303.322 0.877 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](C)[C@](C)(CO)C2)c1-c1nnn[n-]1 ZINC001606178225 1170103667 /nfs/dbraw/zinc/10/36/67/1170103667.db2.gz CLMJOTYHEWXQNQ-CLAHSXSESA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2C[C@@H](C)[C@](C)(CO)C2)c1-c1nn[n-]n1 ZINC001606178225 1170103679 /nfs/dbraw/zinc/10/36/79/1170103679.db2.gz CLMJOTYHEWXQNQ-CLAHSXSESA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@]3(CC3(F)F)C2)c1-c1nnn[n-]1 ZINC001606178224 1170104806 /nfs/dbraw/zinc/10/48/06/1170104806.db2.gz CJITYCURBMOGOC-LBPRGKRZSA-N -1 1 324.291 0.963 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@]3(CC3(F)F)C2)c1-c1nn[n-]n1 ZINC001606178224 1170104809 /nfs/dbraw/zinc/10/48/09/1170104809.db2.gz CJITYCURBMOGOC-LBPRGKRZSA-N -1 1 324.291 0.963 20 0 DCADMM CC1SC(C(=O)NCc2nc(-c3nnn[n-]3)cs2)=NC1=O ZINC001606183064 1170106250 /nfs/dbraw/zinc/10/62/50/1170106250.db2.gz MPYSBOMRZZIDLB-UHFFFAOYSA-N -1 1 323.363 0.724 20 0 DCADMM CC1SC(C(=O)NCc2nc(-c3nn[n-]n3)cs2)=NC1=O ZINC001606183064 1170106254 /nfs/dbraw/zinc/10/62/54/1170106254.db2.gz MPYSBOMRZZIDLB-UHFFFAOYSA-N -1 1 323.363 0.724 20 0 DCADMM Cn1c(=O)[nH]c(NC[C@@H]2CCCSC2)c(-c2nn[n-]n2)c1=O ZINC001606205442 1170112515 /nfs/dbraw/zinc/11/25/15/1170112515.db2.gz FINQGFPACGESEY-ZETCQYMHSA-N -1 1 323.382 0.221 20 0 DCADMM CN1CC[C@H](NC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC001606215348 1170118092 /nfs/dbraw/zinc/11/80/92/1170118092.db2.gz GIZANQTUGYSNPD-ZDUSSCGKSA-N -1 1 319.361 0.463 20 0 DCADMM CN(C1CCN(C)CC1)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606214426 1170118783 /nfs/dbraw/zinc/11/87/83/1170118783.db2.gz FUEPDGXTLMYQGE-STQMWFEESA-N -1 1 318.439 0.986 20 0 DCADMM CN1CCN(CCNC(=O)/C=C/c2cc(C(=O)[O-])co2)CC1 ZINC001606242677 1170133459 /nfs/dbraw/zinc/13/34/59/1170133459.db2.gz PHPNYURTPVZNBX-NSCUHMNNSA-N -1 1 307.350 0.355 20 0 DCADMM CN1CCN(c2cc(C(=O)NC3(C(=O)[O-])CC3)ccn2)CC1 ZINC001606245539 1170136294 /nfs/dbraw/zinc/13/62/94/1170136294.db2.gz NJLNAXAICFAFAT-UHFFFAOYSA-N -1 1 304.350 0.180 20 0 DCADMM Cn1cnc2cncc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)c21 ZINC001606262981 1170140921 /nfs/dbraw/zinc/14/09/21/1170140921.db2.gz VKYLLUPGYXKZLO-UHFFFAOYSA-N -1 1 310.281 0.124 20 0 DCADMM Cn1cnc2cncc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)c21 ZINC001606262981 1170140927 /nfs/dbraw/zinc/14/09/27/1170140927.db2.gz VKYLLUPGYXKZLO-UHFFFAOYSA-N -1 1 310.281 0.124 20 0 DCADMM Cn1cncc1[C@@H](CO)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001606264071 1170141253 /nfs/dbraw/zinc/14/12/53/1170141253.db2.gz OFBQONGBHZDBPK-MRVPVSSYSA-N -1 1 319.350 0.125 20 0 DCADMM CNC(=O)NC(=O)CCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001606278175 1170147072 /nfs/dbraw/zinc/14/70/72/1170147072.db2.gz OGOVOSQXWRKHIW-UHFFFAOYSA-N -1 1 323.324 0.728 20 0 DCADMM Cn1nccc1CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606282099 1170148004 /nfs/dbraw/zinc/14/80/04/1170148004.db2.gz OIBHIUGBVJVIGX-UHFFFAOYSA-N -1 1 313.325 0.382 20 0 DCADMM CNC(=O)c1ccc(OC)c(NS(=O)(=O)CCC(=O)[O-])c1 ZINC001606288286 1170150449 /nfs/dbraw/zinc/15/04/49/1170150449.db2.gz VNYWSMREEHMPFY-UHFFFAOYSA-N -1 1 316.335 0.271 20 0 DCADMM CN[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cnn(C)c1 ZINC001606292906 1170151886 /nfs/dbraw/zinc/15/18/86/1170151886.db2.gz ZQUYNVXAOYWTFH-RISCZKNCSA-N -1 1 308.382 0.784 20 0 DCADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1cncc(-c2nnn[n-]2)n1 ZINC001606299923 1170153672 /nfs/dbraw/zinc/15/36/72/1170153672.db2.gz MHUOQJBOOBPUMS-KCJUWKMLSA-N -1 1 309.280 0.883 20 0 DCADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1cncc(-c2nn[n-]n2)n1 ZINC001606299923 1170153678 /nfs/dbraw/zinc/15/36/78/1170153678.db2.gz MHUOQJBOOBPUMS-KCJUWKMLSA-N -1 1 309.280 0.883 20 0 DCADMM CNS(=O)(=O)c1cc(NC(=O)CCCC(=O)[O-])ccc1O ZINC001606304631 1170155978 /nfs/dbraw/zinc/15/59/78/1170155978.db2.gz PIEPLFPNNITXTE-UHFFFAOYSA-N -1 1 316.335 0.494 20 0 DCADMM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1Cc1n[nH]c(C(C)C)n1 ZINC001606374702 1170174035 /nfs/dbraw/zinc/17/40/35/1170174035.db2.gz HIWDXOIBVBGVIN-VHSXEESVSA-N -1 1 310.354 0.766 20 0 DCADMM COC(=O)C1CCC(NC(=O)[C@H](C)N(C)C)(C(=O)[O-])CC1 ZINC001606397283 1170183296 /nfs/dbraw/zinc/18/32/96/1170183296.db2.gz YTPKLOXHACQDKD-IPWFMCSPSA-N -1 1 300.355 0.239 20 0 DCADMM NC(=O)C1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001606408837 1170188574 /nfs/dbraw/zinc/18/85/74/1170188574.db2.gz IYWYVVLYVCJICN-UHFFFAOYSA-N -1 1 318.312 0.343 20 0 DCADMM NC(=O)C1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001606408837 1170188576 /nfs/dbraw/zinc/18/85/76/1170188576.db2.gz IYWYVVLYVCJICN-UHFFFAOYSA-N -1 1 318.312 0.343 20 0 DCADMM COC(=O)[C@@H]1CCN(Cc2cncc(OC)c2)[C@H](C(=O)[O-])C1 ZINC001606414707 1170191624 /nfs/dbraw/zinc/19/16/24/1170191624.db2.gz WNRZFNWWFLUGKK-YPMHNXCESA-N -1 1 308.334 0.928 20 0 DCADMM Nc1ncncc1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001606456652 1170213179 /nfs/dbraw/zinc/21/31/79/1170213179.db2.gz YPMWNPPGJFXFHW-UHFFFAOYSA-N -1 1 310.325 0.518 20 0 DCADMM Nc1ncncc1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001606456652 1170213184 /nfs/dbraw/zinc/21/31/84/1170213184.db2.gz YPMWNPPGJFXFHW-UHFFFAOYSA-N -1 1 310.325 0.518 20 0 DCADMM O=C(CCCC1CCCC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001606513744 1170224740 /nfs/dbraw/zinc/22/47/40/1170224740.db2.gz YEFQKNOGVKEAMQ-UHFFFAOYSA-N -1 1 318.385 0.935 20 0 DCADMM COC(=O)c1cc(C(=O)[O-])n(CN2C[C@@H]3CSC[C@@H]3C2)n1 ZINC001606536414 1170230556 /nfs/dbraw/zinc/23/05/56/1170230556.db2.gz CMLIIZJMMMMJHO-DTORHVGOSA-N -1 1 311.363 0.620 20 0 DCADMM O=C(COCC(F)(F)F)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606567230 1170235495 /nfs/dbraw/zinc/23/54/95/1170235495.db2.gz PZHIOHQFZGTQAU-UHFFFAOYSA-N -1 1 322.272 0.518 20 0 DCADMM O=C(COCC(F)(F)F)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606567230 1170235498 /nfs/dbraw/zinc/23/54/98/1170235498.db2.gz PZHIOHQFZGTQAU-UHFFFAOYSA-N -1 1 322.272 0.518 20 0 DCADMM COC(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC001606574780 1170236153 /nfs/dbraw/zinc/23/61/53/1170236153.db2.gz QOJMZJUIAAZNHL-QMMMGPOBSA-N -1 1 323.330 0.684 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1C[C@H](O)C12CCC2 ZINC001606594825 1170239345 /nfs/dbraw/zinc/23/93/45/1170239345.db2.gz NPECQTOQXCDGBD-RYUDHWBXSA-N -1 1 314.349 0.224 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1C[C@H](O)C12CCC2 ZINC001606594825 1170239349 /nfs/dbraw/zinc/23/93/49/1170239349.db2.gz NPECQTOQXCDGBD-RYUDHWBXSA-N -1 1 314.349 0.224 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC(c2ccccc2)C1 ZINC001606620910 1170245006 /nfs/dbraw/zinc/24/50/06/1170245006.db2.gz UXWVWIQBEGBTDO-UHFFFAOYSA-N -1 1 310.321 0.084 20 0 DCADMM O=C(N[C@H](CO)[C@@H]1CCCOC1)c1csc(-c2nn[n-]n2)c1 ZINC001606635126 1170250053 /nfs/dbraw/zinc/25/00/53/1170250053.db2.gz JBIMGWPMLGZSGG-PSASIEDQSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606689182 1170262646 /nfs/dbraw/zinc/26/26/46/1170262646.db2.gz OYMVEWYVSBOYRV-ZYHUDNBSSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606689182 1170262653 /nfs/dbraw/zinc/26/26/53/1170262653.db2.gz OYMVEWYVSBOYRV-ZYHUDNBSSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(NCCOC[C@@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001606786973 1170289680 /nfs/dbraw/zinc/28/96/80/1170289680.db2.gz MIXIGCXTQZRFTB-JTQLQIEISA-N -1 1 323.378 0.854 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1ccoc1Cl ZINC001606802269 1170295214 /nfs/dbraw/zinc/29/52/14/1170295214.db2.gz KBODYYIVMBTQLP-UHFFFAOYSA-N -1 1 308.689 0.135 20 0 DCADMM O=C(NC[C@@H]1CCC[C@H]1O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606804299 1170295947 /nfs/dbraw/zinc/29/59/47/1170295947.db2.gz XTUZORYXUNGRDW-WCBMZHEXSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@@H]1CCC[C@H]1O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606804299 1170295951 /nfs/dbraw/zinc/29/59/51/1170295951.db2.gz XTUZORYXUNGRDW-WCBMZHEXSA-N -1 1 303.326 0.544 20 0 DCADMM COCCN(CC(=O)[O-])C(=O)[C@H](N)Cc1cc2ccccc2o1 ZINC001606881243 1170322804 /nfs/dbraw/zinc/32/28/04/1170322804.db2.gz LJGLVTQVCSGMEQ-CYBMUJFWSA-N -1 1 320.345 0.862 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1COC[C@H]1C1CC1 ZINC001606934697 1170334827 /nfs/dbraw/zinc/33/48/27/1170334827.db2.gz IEIJCERAQFJQLV-GXSJLCMTSA-N -1 1 315.337 0.808 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1COC[C@H]1C1CC1 ZINC001606934697 1170334834 /nfs/dbraw/zinc/33/48/34/1170334834.db2.gz IEIJCERAQFJQLV-GXSJLCMTSA-N -1 1 315.337 0.808 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)NC1(CO)CCCC1 ZINC001606943616 1170335568 /nfs/dbraw/zinc/33/55/68/1170335568.db2.gz BKFLJUHVHBJDFM-UHFFFAOYSA-N -1 1 303.326 0.688 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)NC1(CO)CCCC1 ZINC001606943616 1170335575 /nfs/dbraw/zinc/33/55/75/1170335575.db2.gz BKFLJUHVHBJDFM-UHFFFAOYSA-N -1 1 303.326 0.688 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@](O)(C2CC2)C1 ZINC001606941485 1170336120 /nfs/dbraw/zinc/33/61/20/1170336120.db2.gz XQJGGRLFHCQPHY-CQSZACIVSA-N -1 1 315.337 0.640 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@](O)(C2CC2)C1 ZINC001606941485 1170336124 /nfs/dbraw/zinc/33/61/24/1170336124.db2.gz XQJGGRLFHCQPHY-CQSZACIVSA-N -1 1 315.337 0.640 20 0 DCADMM O=C(Nc1nc2n(n1)CCCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001606953497 1170337178 /nfs/dbraw/zinc/33/71/78/1170337178.db2.gz TWVZHTSTKALLNK-UHFFFAOYSA-N -1 1 311.309 0.442 20 0 DCADMM O=C(Nc1nc2n(n1)CCCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001606953497 1170337184 /nfs/dbraw/zinc/33/71/84/1170337184.db2.gz TWVZHTSTKALLNK-UHFFFAOYSA-N -1 1 311.309 0.442 20 0 DCADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)c1cnn2c1CCC2 ZINC001606979395 1170343927 /nfs/dbraw/zinc/34/39/27/1170343927.db2.gz XBNZPLCQBPQKCY-UHFFFAOYSA-N -1 1 300.278 0.959 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)c1cnn2c1CCC2 ZINC001606979395 1170343930 /nfs/dbraw/zinc/34/39/30/1170343930.db2.gz XBNZPLCQBPQKCY-UHFFFAOYSA-N -1 1 300.278 0.959 20 0 DCADMM O=C(OCc1ccc[n+]([O-])c1)c1sccc1-c1nn[n-]n1 ZINC001606978914 1170344477 /nfs/dbraw/zinc/34/44/77/1170344477.db2.gz PBCMMBCOQOEHHA-UHFFFAOYSA-N -1 1 303.303 0.919 20 0 DCADMM O=C(c1csc(-c2nn[nH]n2)c1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001607032204 1170359859 /nfs/dbraw/zinc/35/98/59/1170359859.db2.gz VMFMNGIIDWETHA-LURJTMIESA-N -1 1 317.338 0.071 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H](O)CC12CCC2 ZINC001607031351 1170360503 /nfs/dbraw/zinc/36/05/03/1170360503.db2.gz YAPFXSYBAYWSOM-JTQLQIEISA-N -1 1 303.322 0.979 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H](O)CC12CCC2 ZINC001607031351 1170360511 /nfs/dbraw/zinc/36/05/11/1170360511.db2.gz YAPFXSYBAYWSOM-JTQLQIEISA-N -1 1 303.322 0.979 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC(Oc2ccncc2)C1 ZINC001607031323 1170360964 /nfs/dbraw/zinc/36/09/64/1170360964.db2.gz XBVBTKRHNXLPCK-UHFFFAOYSA-N -1 1 312.289 0.758 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC(Oc2ccncc2)C1 ZINC001607031323 1170360970 /nfs/dbraw/zinc/36/09/70/1170360970.db2.gz XBVBTKRHNXLPCK-UHFFFAOYSA-N -1 1 312.289 0.758 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC001607030834 1170361416 /nfs/dbraw/zinc/36/14/16/1170361416.db2.gz NNRXEXHAAWUUJV-SNVBAGLBSA-N -1 1 317.227 0.599 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC001607030834 1170361418 /nfs/dbraw/zinc/36/14/18/1170361418.db2.gz NNRXEXHAAWUUJV-SNVBAGLBSA-N -1 1 317.227 0.599 20 0 DCADMM COc1c(NC(=O)NCCN2CC[C@@H](O)C2)cccc1C(=O)[O-] ZINC001607034711 1170362521 /nfs/dbraw/zinc/36/25/21/1170362521.db2.gz QZONVECYBJTUBK-SNVBAGLBSA-N -1 1 323.349 0.582 20 0 DCADMM O=C1C[C@@H](CCNc2c3ccccc3nnc2-c2nnn[n-]2)CN1 ZINC001607041439 1170365178 /nfs/dbraw/zinc/36/51/78/1170365178.db2.gz ZJOGAUSYSQPRHY-SECBINFHSA-N -1 1 324.348 0.748 20 0 DCADMM O=C1C[C@@H](CCNc2c3ccccc3nnc2-c2nn[n-]n2)CN1 ZINC001607041439 1170365180 /nfs/dbraw/zinc/36/51/80/1170365180.db2.gz ZJOGAUSYSQPRHY-SECBINFHSA-N -1 1 324.348 0.748 20 0 DCADMM O=S(=O)(NC[C@@H]1CCC=CO1)c1cccnc1-c1nn[n-]n1 ZINC001607063839 1170377440 /nfs/dbraw/zinc/37/74/40/1170377440.db2.gz RSOJVLKEXZQHKK-VIFPVBQESA-N -1 1 322.350 0.233 20 0 DCADMM O=S(=O)(NCc1ccccc1)c1cccnc1-c1nn[n-]n1 ZINC001607067607 1170378929 /nfs/dbraw/zinc/37/89/29/1170378929.db2.gz ZURKXRWBTVSMND-UHFFFAOYSA-N -1 1 316.346 0.740 20 0 DCADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCOC1 ZINC001607074777 1170379830 /nfs/dbraw/zinc/37/98/30/1170379830.db2.gz IKBJDCWZQZBDAT-UHFFFAOYSA-N -1 1 313.314 0.374 20 0 DCADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCOC1 ZINC001607074777 1170379838 /nfs/dbraw/zinc/37/98/38/1170379838.db2.gz IKBJDCWZQZBDAT-UHFFFAOYSA-N -1 1 313.314 0.374 20 0 DCADMM O=c1[nH]c(CNc2ccnc(-c3nnn[n-]3)c2)nc2ccccc21 ZINC001607087986 1170387999 /nfs/dbraw/zinc/38/79/99/1170387999.db2.gz DSZZYUJMBCZJCF-UHFFFAOYSA-N -1 1 320.316 0.945 20 0 DCADMM O=c1[nH]c(CNc2ccnc(-c3nn[n-]n3)c2)nc2ccccc21 ZINC001607087986 1170388010 /nfs/dbraw/zinc/38/80/10/1170388010.db2.gz DSZZYUJMBCZJCF-UHFFFAOYSA-N -1 1 320.316 0.945 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cnn(-c2ccccc2)n1 ZINC001607091403 1170388766 /nfs/dbraw/zinc/38/87/66/1170388766.db2.gz MASYGQUQRKUZBS-UHFFFAOYSA-N -1 1 321.304 0.052 20 0 DCADMM O[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)c1c[nH]cn1 ZINC001607098270 1170391344 /nfs/dbraw/zinc/39/13/44/1170391344.db2.gz XBOBHRMFUIWSOM-YFKPBYRVSA-N -1 1 312.746 0.845 20 0 DCADMM OC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H](O)C1CCCCC1 ZINC001607102582 1170397429 /nfs/dbraw/zinc/39/74/29/1170397429.db2.gz ZPTNJGALDLKDHJ-TZMCWYRMSA-N -1 1 318.381 0.976 20 0 DCADMM OC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H](O)C1CCCCC1 ZINC001607102582 1170397433 /nfs/dbraw/zinc/39/74/33/1170397433.db2.gz ZPTNJGALDLKDHJ-TZMCWYRMSA-N -1 1 318.381 0.976 20 0 DCADMM OCCOc1ccc(NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001607105970 1170398280 /nfs/dbraw/zinc/39/82/80/1170398280.db2.gz LPKAYHALBOZPRN-UHFFFAOYSA-N -1 1 319.350 0.701 20 0 DCADMM OCCOc1ccc(NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001607105970 1170398283 /nfs/dbraw/zinc/39/82/83/1170398283.db2.gz LPKAYHALBOZPRN-UHFFFAOYSA-N -1 1 319.350 0.701 20 0 DCADMM OCCCOC1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001607107683 1170400903 /nfs/dbraw/zinc/40/09/03/1170400903.db2.gz PYYYWBXRTUWKFY-UHFFFAOYSA-N -1 1 305.342 0.025 20 0 DCADMM OCCCOC1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001607107683 1170400909 /nfs/dbraw/zinc/40/09/09/1170400909.db2.gz PYYYWBXRTUWKFY-UHFFFAOYSA-N -1 1 305.342 0.025 20 0 DCADMM c1ncn(-c2cccc(CNc3cncc(-c4nnn[n-]4)n3)c2)n1 ZINC001607119123 1170403117 /nfs/dbraw/zinc/40/31/17/1170403117.db2.gz MGWAQXBLWLALGD-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1ncn(-c2cccc(CNc3cncc(-c4nn[n-]n4)n3)c2)n1 ZINC001607119123 1170403121 /nfs/dbraw/zinc/40/31/21/1170403121.db2.gz MGWAQXBLWLALGD-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cc(NC[C@H]2COC3(CCOCC3)O2)cc(-c2nnn[n-]2)n1 ZINC001607121375 1170404434 /nfs/dbraw/zinc/40/44/34/1170404434.db2.gz PORJEHQRRSEXIQ-NSHDSACASA-N -1 1 318.337 0.018 20 0 DCADMM c1cc(NC[C@H]2COC3(CCOCC3)O2)cc(-c2nn[n-]n2)n1 ZINC001607121375 1170404436 /nfs/dbraw/zinc/40/44/36/1170404436.db2.gz PORJEHQRRSEXIQ-NSHDSACASA-N -1 1 318.337 0.018 20 0 DCADMM c1ccn2c(c1)nnc2CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001607133277 1170405922 /nfs/dbraw/zinc/40/59/22/1170405922.db2.gz VHHFVJCHXACBJG-UHFFFAOYSA-N -1 1 307.321 0.959 20 0 DCADMM c1ccn2c(c1)nnc2CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001607133277 1170405926 /nfs/dbraw/zinc/40/59/26/1170405926.db2.gz VHHFVJCHXACBJG-UHFFFAOYSA-N -1 1 307.321 0.959 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCn3c(CC4CC4)nnc3C2)n1 ZINC001607136531 1170407408 /nfs/dbraw/zinc/40/74/08/1170407408.db2.gz IRTLKJWRFYXWHQ-UHFFFAOYSA-N -1 1 324.352 0.221 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCn3c(CC4CC4)nnc3C2)n1 ZINC001607136531 1170407410 /nfs/dbraw/zinc/40/74/10/1170407410.db2.gz IRTLKJWRFYXWHQ-UHFFFAOYSA-N -1 1 324.352 0.221 20 0 DCADMM COc1cc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)on1 ZINC001607164000 1170412030 /nfs/dbraw/zinc/41/20/30/1170412030.db2.gz DANQQNZNGYBTRY-BSJXLVFVSA-N -1 1 323.349 0.388 20 0 DCADMM COc1cccc([C@@H](N)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC001607312727 1170426711 /nfs/dbraw/zinc/42/67/11/1170426711.db2.gz IXRROOUYBZCPJA-GXTWGEPZSA-N -1 1 308.334 0.397 20 0 DCADMM Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])n1 ZINC001607629950 1170485804 /nfs/dbraw/zinc/48/58/04/1170485804.db2.gz UDANVQGPTWNLPB-JQWIXIFHSA-N -1 1 305.338 0.596 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COCCCNC(=O)COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609323186 1170936303 /nfs/dbraw/zinc/93/63/03/1170936303.db2.gz INYHAZNPDPWKNV-UHFFFAOYSA-N -1 1 323.309 0.078 20 0 DCADMM COCCC[C@H](C)C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001609322913 1170938091 /nfs/dbraw/zinc/93/80/91/1170938091.db2.gz RLKJRMIPQBGSMZ-QMMMGPOBSA-N -1 1 307.358 0.910 20 0 DCADMM COCCC[C@H](C)C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001609322913 1170938106 /nfs/dbraw/zinc/93/81/06/1170938106.db2.gz RLKJRMIPQBGSMZ-QMMMGPOBSA-N -1 1 307.358 0.910 20 0 DCADMM COCCOC[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609326720 1170939441 /nfs/dbraw/zinc/93/94/41/1170939441.db2.gz FLDZBTFUGHPUET-SECBINFHSA-N -1 1 321.341 0.435 20 0 DCADMM COCCOC[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609326720 1170939447 /nfs/dbraw/zinc/93/94/47/1170939447.db2.gz FLDZBTFUGHPUET-SECBINFHSA-N -1 1 321.341 0.435 20 0 DCADMM COCCO[C@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001609326875 1170940665 /nfs/dbraw/zinc/94/06/65/1170940665.db2.gz 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/nfs/dbraw/zinc/96/77/36/1170967736.db2.gz ORWLNIDJRFEQOZ-NHYWBVRUSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cccc(C[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001609431027 1170973602 /nfs/dbraw/zinc/97/36/02/1170973602.db2.gz KYXCWTSKLITWMQ-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1cccc(C[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001609431027 1170973608 /nfs/dbraw/zinc/97/36/08/1170973608.db2.gz KYXCWTSKLITWMQ-LBPRGKRZSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1cccc(C[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001609431026 1170974636 /nfs/dbraw/zinc/97/46/36/1170974636.db2.gz KYXCWTSKLITWMQ-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1cccc(C[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001609431026 1170974641 /nfs/dbraw/zinc/97/46/41/1170974641.db2.gz KYXCWTSKLITWMQ-GFCCVEGCSA-N -1 1 311.349 0.981 20 0 DCADMM Cc1cccc2nc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cn21 ZINC001609434784 1170976562 /nfs/dbraw/zinc/97/65/62/1170976562.db2.gz DHONLKFTXLUMSD-UHFFFAOYSA-N -1 1 309.293 0.290 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cncc(Cl)n2)c1-c1nn[n-]n1 ZINC001609444625 1170978245 /nfs/dbraw/zinc/97/82/45/1170978245.db2.gz LLYDYANOUJXBLI-UHFFFAOYSA-N -1 1 305.689 0.594 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](C)[C@H]2CO)c1-c1nnn[n-]1 ZINC001609465316 1170988043 /nfs/dbraw/zinc/98/80/43/1170988043.db2.gz QEFXQJSUHXWDGO-POYBYMJQSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](C)[C@H]2CO)c1-c1nn[n-]n1 ZINC001609465316 1170988048 /nfs/dbraw/zinc/98/80/48/1170988048.db2.gz QEFXQJSUHXWDGO-POYBYMJQSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](C)C(=O)N(C)C)c1-c1nnn[n-]1 ZINC001609465298 1170988378 /nfs/dbraw/zinc/98/83/78/1170988378.db2.gz KMDPEGCBPWEFLY-LURJTMIESA-N -1 1 324.370 0.230 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](C)C(=O)N(C)C)c1-c1nn[n-]n1 ZINC001609465298 1170988381 /nfs/dbraw/zinc/98/83/81/1170988381.db2.gz KMDPEGCBPWEFLY-LURJTMIESA-N -1 1 324.370 0.230 20 0 DCADMM Cc1scc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1C ZINC001609472114 1170990169 /nfs/dbraw/zinc/99/01/69/1170990169.db2.gz 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/nfs/dbraw/zinc/01/36/64/1171013664.db2.gz GFNOGRKEEMBVTO-UHFFFAOYSA-N -1 1 319.321 0.875 20 0 DCADMM O=C(Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1)C(F)F ZINC001609568392 1171023673 /nfs/dbraw/zinc/02/36/73/1171023673.db2.gz ODYJSTHEFIFFAD-UHFFFAOYSA-N -1 1 306.236 0.651 20 0 DCADMM O=C(OCC1CCC(O)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609573969 1171024738 /nfs/dbraw/zinc/02/47/38/1171024738.db2.gz ZUMGDEQWABEZOG-UHFFFAOYSA-N -1 1 303.322 0.970 20 0 DCADMM O=C(OCC1CCC(O)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609573969 1171024746 /nfs/dbraw/zinc/02/47/46/1171024746.db2.gz ZUMGDEQWABEZOG-UHFFFAOYSA-N -1 1 303.322 0.970 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCc2ncccc2C1 ZINC001609582979 1171029267 /nfs/dbraw/zinc/02/92/67/1171029267.db2.gz LKXFGIOSADMWRD-UHFFFAOYSA-N -1 1 307.317 0.855 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCc2ncccc2C1 ZINC001609582979 1171029274 /nfs/dbraw/zinc/02/92/74/1171029274.db2.gz LKXFGIOSADMWRD-UHFFFAOYSA-N -1 1 307.317 0.855 20 0 DCADMM O=C1CCCN1[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 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OC[C@H]([C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)C1CC1 ZINC001609608422 1171042831 /nfs/dbraw/zinc/04/28/31/1171042831.db2.gz JTZZWGSGFNOUCI-GXFFZTMASA-N -1 1 301.354 0.866 20 0 DCADMM OC[C@H]([C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)C1CC1 ZINC001609608422 1171042840 /nfs/dbraw/zinc/04/28/40/1171042840.db2.gz JTZZWGSGFNOUCI-GXFFZTMASA-N -1 1 301.354 0.866 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(N2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC001609619362 1171049512 /nfs/dbraw/zinc/04/95/12/1171049512.db2.gz NOKLQZUZQGEAMN-NWDGAFQWSA-N -1 1 302.338 0.646 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(N2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC001609619362 1171049519 /nfs/dbraw/zinc/04/95/19/1171049519.db2.gz NOKLQZUZQGEAMN-NWDGAFQWSA-N -1 1 302.338 0.646 20 0 DCADMM c1nc([C@@H]2COCCN2Cc2nc(-c3nnn[n-]3)cs2)no1 ZINC001609621176 1171053550 /nfs/dbraw/zinc/05/35/50/1171053550.db2.gz TYVMCOFFQKFJJW-QMMMGPOBSA-N -1 1 320.338 0.280 20 0 DCADMM c1nc([C@@H]2COCCN2Cc2nc(-c3nn[n-]n3)cs2)no1 ZINC001609621176 1171053560 /nfs/dbraw/zinc/05/35/60/1171053560.db2.gz TYVMCOFFQKFJJW-QMMMGPOBSA-N -1 1 320.338 0.280 20 0 DCADMM C[C@H](C(=O)NCc1ccccc1F)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609635957 1171056653 /nfs/dbraw/zinc/05/66/53/1171056653.db2.gz KFVCBLFQVDVTEC-RAIGVLPGSA-N -1 1 324.352 0.598 20 0 DCADMM CC(C)CNC(=O)NC(=O)CN1CCSC[C@@H](C(=O)[O-])C1 ZINC001609699654 1171069029 /nfs/dbraw/zinc/06/90/29/1171069029.db2.gz YCYMINGUFBIIGR-JTQLQIEISA-N -1 1 317.411 0.218 20 0 DCADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1cnn(C)c1 ZINC001609726062 1171075617 /nfs/dbraw/zinc/07/56/17/1171075617.db2.gz CTVRZSHTDDEGMU-STQMWFEESA-N -1 1 322.409 0.921 20 0 DCADMM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC001609814534 1171093179 /nfs/dbraw/zinc/09/31/79/1171093179.db2.gz MEHMXOFNVJWBMB-OZVIIMIRSA-N -1 1 323.393 0.053 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=S)NC[C@@H]1CCOC1 ZINC001609870451 1171109982 /nfs/dbraw/zinc/10/99/82/1171109982.db2.gz ILENXIRAALGKGM-NEPJUHHUSA-N -1 1 315.439 0.378 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Cc1n[nH]c(C(=O)N[C@@H](C)CCCNCc2nonc2C)c1[O-] ZINC001700656516 1178694899 /nfs/dbraw/zinc/69/48/99/1178694899.db2.gz CFDBKUBQRQVLFK-QMMMGPOBSA-N -1 1 322.369 0.803 20 0 DCADMM CC(C)[C@@H](C)C(=O)NCC1=CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001701061325 1178913159 /nfs/dbraw/zinc/91/31/59/1178913159.db2.gz YIKNABFZHAULGK-GFCCVEGCSA-N -1 1 321.425 0.649 20 0 DCADMM O=C(CCc1ccccn1)NCCNC(=O)c1ncccc1[O-] ZINC001703156596 1179350386 /nfs/dbraw/zinc/35/03/86/1179350386.db2.gz KVIGZCWEMPAHHG-UHFFFAOYSA-N -1 1 314.345 0.661 20 0 DCADMM Cc1nc[nH]c1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001703351928 1179493101 /nfs/dbraw/zinc/49/31/01/1179493101.db2.gz LPRMSDFOZVUCJG-UHFFFAOYSA-N -1 1 303.322 0.369 20 0 DCADMM CCN(CCCNC(=O)c1ccc(OC)o1)Cc1n[nH]c(=O)[n-]1 ZINC001707467340 1180526645 /nfs/dbraw/zinc/52/66/45/1180526645.db2.gz RPUWPYCZNHCLIE-UHFFFAOYSA-N -1 1 323.353 0.754 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)NCc1n[nH]c(=O)[n-]1 ZINC001713311529 1180760764 /nfs/dbraw/zinc/76/07/64/1180760764.db2.gz SCIMYGNQMBWMFB-WHOHXGKFSA-N -1 1 305.382 0.707 20 0 DCADMM CC/C=C(/C)C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001713500335 1180873221 /nfs/dbraw/zinc/87/32/21/1180873221.db2.gz JJRHKQZPWPAPJU-DSDFTUOUSA-N -1 1 307.398 0.545 20 0 DCADMM CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1ccc(F)cc1F ZINC001713659158 1181002516 /nfs/dbraw/zinc/00/25/16/1181002516.db2.gz DYPVZJCWPSHWLS-UHFFFAOYSA-N -1 1 311.292 0.650 20 0 DCADMM CC/C(C)=C\C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1 ZINC001714985569 1181629842 /nfs/dbraw/zinc/62/98/42/1181629842.db2.gz APEWQCXNMQNXQW-OUONCDGISA-N -1 1 305.382 0.250 20 0 DCADMM CCCCNC(=O)CN(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001715801084 1182011146 /nfs/dbraw/zinc/01/11/46/1182011146.db2.gz FJIJFONNGZJVCQ-UHFFFAOYSA-N -1 1 322.409 0.707 20 0 DCADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)[C@H](C)CSC ZINC001716210290 1182254828 /nfs/dbraw/zinc/25/48/28/1182254828.db2.gz NEPNDMJQHQGWNC-SECBINFHSA-N -1 1 301.416 0.448 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NCCCOCCNC(=O)c1ncccc1[O-] ZINC001718492379 1183239642 /nfs/dbraw/zinc/23/96/42/1183239642.db2.gz FAKYLWMYNPCLLB-NEPJUHHUSA-N -1 1 321.377 0.696 20 0 DCADMM CC(C)(C)/C=C\C(=O)N[C@H](CO)CNC(=O)c1ncccc1[O-] ZINC001718609846 1183284137 /nfs/dbraw/zinc/28/41/37/1183284137.db2.gz SKKGDJICVFOFTF-ZADCQDASSA-N -1 1 321.377 0.596 20 0 DCADMM COCCCC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC001718656728 1183311052 /nfs/dbraw/zinc/31/10/52/1183311052.db2.gz NSORDTXPPXRAKC-RYUDHWBXSA-N -1 1 321.377 0.933 20 0 DCADMM COCCCC(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001720397769 1183589353 /nfs/dbraw/zinc/58/93/53/1183589353.db2.gz WCFFVVJNJHDQMF-UHFFFAOYSA-N -1 1 321.377 0.935 20 0 DCADMM COCCCC(=O)NCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001721004352 1183795964 /nfs/dbraw/zinc/79/59/64/1183795964.db2.gz BVJMWXSMSDPOML-LLVKDONJSA-N -1 1 309.366 0.838 20 0 DCADMM C[C@@H](CC(=O)N(C)CCNCc1n[nH]c(=O)[n-]1)n1cccc1 ZINC001731975648 1185620480 /nfs/dbraw/zinc/62/04/80/1185620480.db2.gz FLWVIUKLQLHHTD-NSHDSACASA-N -1 1 306.370 0.511 20 0 DCADMM Cc1ocnc1C(=O)NCCCN(Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001732005643 1185632911 /nfs/dbraw/zinc/63/29/11/1185632911.db2.gz IGXFCKMSJCJTKN-UHFFFAOYSA-N -1 1 322.369 0.837 20 0 DCADMM CC(C)[C@H](CNC(=O)c1ccnc(F)c1)NCc1n[nH]c(=O)[n-]1 ZINC001732554160 1185848865 /nfs/dbraw/zinc/84/88/65/1185848865.db2.gz GMZSUYHKPMWKRK-JTQLQIEISA-N -1 1 322.344 0.589 20 0 DCADMM CCN(CCNCc1cc(C)ncn1)C(=O)c1n[nH]c(C)c1[O-] ZINC001732770962 1185959294 /nfs/dbraw/zinc/95/92/94/1185959294.db2.gz XNKYSCQFPYNQDU-UHFFFAOYSA-N -1 1 318.381 0.774 20 0 DCADMM CC(C)=CC(=O)NC[C@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001739038609 1187730016 /nfs/dbraw/zinc/73/00/16/1187730016.db2.gz QGDIZWNSRDETBO-NSHDSACASA-N -1 1 307.350 0.303 20 0 DCADMM CC(C)C(=O)N(C)CCOCCN(C)C(=O)c1ncccc1[O-] ZINC001740045051 1187874047 /nfs/dbraw/zinc/87/40/47/1187874047.db2.gz GOUDMEIHKGYKCN-UHFFFAOYSA-N -1 1 323.393 0.990 20 0 DCADMM O=C(NCCNC(=O)c1ncccc1[O-])c1cnc2n1CCC2 ZINC001742355393 1187963718 /nfs/dbraw/zinc/96/37/18/1187963718.db2.gz 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GQJXFWJCWUHSTL-UHFFFAOYSA-N -1 1 315.329 0.712 20 0 DCADMM Cc1c(C(=O)NCCNC(=O)c2ncccc2[O-])ccn1C ZINC001491245698 943861012 /nfs/dbraw/zinc/86/10/12/943861012.db2.gz RXYDOROVNQMSFF-UHFFFAOYSA-N -1 1 302.334 0.594 20 0 DCADMM C[C@@H](N[C@@H](C)CNC(=O)c1ncccc1[O-])c1nncn1C ZINC001491435953 943991627 /nfs/dbraw/zinc/99/16/27/943991627.db2.gz SSLHBPFKCKNGLD-VHSXEESVSA-N -1 1 304.354 0.385 20 0 DCADMM O=C([O-])CCC(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC001611421720 971043415 /nfs/dbraw/zinc/04/34/15/971043415.db2.gz SOUSFAUIHSWXNE-UHFFFAOYSA-N -1 1 312.303 0.417 20 0 DCADMM C[C@@H](C(=O)N[C@@H](C)C1CN(Cc2nc(=O)n(C)[n-]2)C1)C1CCC1 ZINC001409924960 944177369 /nfs/dbraw/zinc/17/73/69/944177369.db2.gz SCDZBBCTAZXRKX-MNOVXSKESA-N -1 1 321.425 0.481 20 0 DCADMM O=C([O-])CSCC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC001611492144 971082218 /nfs/dbraw/zinc/08/22/18/971082218.db2.gz UXDOBQYPGAAXJY-LBPRGKRZSA-N -1 1 316.423 0.375 20 0 DCADMM C[C@H](CN(C)C(=O)[C@@]1(C)CCCOC1)NCc1n[nH]c(=O)[n-]1 ZINC001485938251 944421117 /nfs/dbraw/zinc/42/11/17/944421117.db2.gz ICRPZGGFPMNMRQ-YGRLFVJLSA-N -1 1 311.386 0.264 20 0 DCADMM CCN(CCCNC(=O)c1cc(C)nn1C)Cc1n[nH]c(=O)[n-]1 ZINC001316886033 944611121 /nfs/dbraw/zinc/61/11/21/944611121.db2.gz RFYNKQBWUQEIIU-UHFFFAOYSA-N -1 1 321.385 0.194 20 0 DCADMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccsn1 ZINC001486405021 944865918 /nfs/dbraw/zinc/86/59/18/944865918.db2.gz VREMDVHSEUZNGL-SECBINFHSA-N -1 1 324.410 0.901 20 0 DCADMM CN(C)C(=O)c1n[nH]c2c1CN(Cc1ccc(C(=O)[O-])o1)CC2 ZINC001277560316 944880538 /nfs/dbraw/zinc/88/05/38/944880538.db2.gz VAJYXUNRFALKAQ-UHFFFAOYSA-N -1 1 318.333 0.961 20 0 DCADMM Nc1cc(S(=O)(=O)[N-]c2ccc3nncn3c2)ccc1O ZINC001250008636 945653474 /nfs/dbraw/zinc/65/34/74/945653474.db2.gz UNDUSAZHSAWJRO-UHFFFAOYSA-N -1 1 305.319 0.818 20 0 DCADMM Cc1c(NC(=O)C(=O)NCc2nn[n-]n2)cnn1C1CCCC1 ZINC001320850901 946043031 /nfs/dbraw/zinc/04/30/31/946043031.db2.gz XBIQMVNOPJWOOE-UHFFFAOYSA-N -1 1 318.341 0.075 20 0 DCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1nc(C2CCC2)cs1 ZINC001320965463 946089055 /nfs/dbraw/zinc/08/90/55/946089055.db2.gz VUAYVLWJIVKPAG-UHFFFAOYSA-N -1 1 307.339 0.179 20 0 DCADMM O=P([O-])([O-])CC[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253289169 946104928 /nfs/dbraw/zinc/10/49/28/946104928.db2.gz KQBQXAYQZHHJSU-CYBMUJFWSA-N -1 1 303.295 0.722 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1CCCCO1)NC(=O)c1ncccc1[O-] ZINC001410354060 946244432 /nfs/dbraw/zinc/24/44/32/946244432.db2.gz AKTYNCBQISUBEO-JQWIXIFHSA-N -1 1 307.350 0.591 20 0 DCADMM CC(=O)NC1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573492037 946290734 /nfs/dbraw/zinc/29/07/34/946290734.db2.gz BYXMAVNTPVJOIX-UHFFFAOYSA-N -1 1 316.369 0.824 20 0 DCADMM CC(=O)NC1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573492037 946290743 /nfs/dbraw/zinc/29/07/43/946290743.db2.gz BYXMAVNTPVJOIX-UHFFFAOYSA-N -1 1 316.369 0.824 20 0 DCADMM CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001573495495 946310250 /nfs/dbraw/zinc/31/02/50/946310250.db2.gz QWNBUJDJVPYQPB-QWRGUYRKSA-N -1 1 314.353 0.516 20 0 DCADMM CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001573495495 946310262 /nfs/dbraw/zinc/31/02/62/946310262.db2.gz QWNBUJDJVPYQPB-QWRGUYRKSA-N -1 1 314.353 0.516 20 0 DCADMM O=C(NCCCO)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001255273160 946483344 /nfs/dbraw/zinc/48/33/44/946483344.db2.gz UDCSMQLTXGAHLV-UHFFFAOYSA-N -1 1 307.350 0.138 20 0 DCADMM CCN(CCNCc1nncs1)C(=O)c1ncccc1[O-] ZINC001273340748 946702766 /nfs/dbraw/zinc/70/27/66/946702766.db2.gz FNKLSCOVMHFFTN-UHFFFAOYSA-N -1 1 307.379 0.891 20 0 DCADMM CCCOCC(=O)N[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001299517549 946852638 /nfs/dbraw/zinc/85/26/38/946852638.db2.gz JGEWSVVERJSZKG-INIZCTEOSA-N -1 1 321.377 0.935 20 0 DCADMM O=C1OCCN1CC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258949478 946874326 /nfs/dbraw/zinc/87/43/26/946874326.db2.gz FKYLHFPYQIHXPQ-UHFFFAOYSA-N -1 1 306.290 0.695 20 0 DCADMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)N2 ZINC001259001055 946883554 /nfs/dbraw/zinc/88/35/54/946883554.db2.gz XVWUYHPUDDPYJS-GFCCVEGCSA-N -1 1 306.347 0.700 20 0 DCADMM O=C1C[C@@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCN1 ZINC001259073936 946910402 /nfs/dbraw/zinc/91/04/02/946910402.db2.gz TUVBLYRUVIRNNZ-ZETCQYMHSA-N -1 1 322.308 0.908 20 0 DCADMM O=S(=O)([N-]C1(CCO)COC1)c1ccc(F)c(F)c1F ZINC001259081152 946910454 /nfs/dbraw/zinc/91/04/54/946910454.db2.gz BBWPAWXTSFOPDN-UHFFFAOYSA-N -1 1 311.281 0.534 20 0 DCADMM CC(=O)c1ccc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)o1 ZINC001573556528 946928672 /nfs/dbraw/zinc/92/86/72/946928672.db2.gz RLUKYAQNCSPATF-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM CC(=O)c1ccc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)o1 ZINC001573556528 946928678 /nfs/dbraw/zinc/92/86/78/946928678.db2.gz RLUKYAQNCSPATF-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM CC(=O)c1cncc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001573558511 946940932 /nfs/dbraw/zinc/94/09/32/946940932.db2.gz MARIGYUSICTIFS-UHFFFAOYSA-N -1 1 323.316 0.789 20 0 DCADMM CC(=O)c1cncc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001573558511 946940939 /nfs/dbraw/zinc/94/09/39/946940939.db2.gz MARIGYUSICTIFS-UHFFFAOYSA-N -1 1 323.316 0.789 20 0 DCADMM O=C1CO[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2F)CN1 ZINC001259460857 946959980 /nfs/dbraw/zinc/95/99/80/946959980.db2.gz USCNWZUVLWLRKB-QMMMGPOBSA-N -1 1 322.745 0.272 20 0 DCADMM O=C1NC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2F)O1 ZINC001259463017 946960127 /nfs/dbraw/zinc/96/01/27/946960127.db2.gz KLGOUUYYYKQDFY-SSDOTTSWSA-N -1 1 308.718 0.866 20 0 DCADMM C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccccn1 ZINC001259790710 946985268 /nfs/dbraw/zinc/98/52/68/946985268.db2.gz JEBDGZPRKMUSFG-JTQLQIEISA-N -1 1 324.344 0.553 20 0 DCADMM CCOC(=O)Cc1ncc([N-]S(=O)(=O)CC(C)C)cn1 ZINC001259879765 947008483 /nfs/dbraw/zinc/00/84/83/947008483.db2.gz YXTFFYQKROOISP-UHFFFAOYSA-N -1 1 301.368 0.980 20 0 DCADMM O=C1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)CN1 ZINC001260204881 947083486 /nfs/dbraw/zinc/08/34/86/947083486.db2.gz OPBBTNLLFKYCOS-YFKPBYRVSA-N -1 1 310.709 0.785 20 0 DCADMM Cc1nc(S(=O)(=O)[N-]c2cn[nH]c(=O)c2Cl)cn1C ZINC001260542939 947109888 /nfs/dbraw/zinc/10/98/88/947109888.db2.gz XBTALGAAQVZYCS-UHFFFAOYSA-N -1 1 303.731 0.678 20 0 DCADMM CS(=O)(=O)CS(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC001260591546 947120652 /nfs/dbraw/zinc/12/06/52/947120652.db2.gz YOVBCBNROVEJBM-UHFFFAOYSA-N -1 1 315.376 0.616 20 0 DCADMM O=C1OCC=C1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261074673 947171093 /nfs/dbraw/zinc/17/10/93/947171093.db2.gz AHHCSMLVQMGLEE-UHFFFAOYSA-N -1 1 315.694 0.595 20 0 DCADMM CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(OC)ns2)C1 ZINC001475095364 947304904 /nfs/dbraw/zinc/30/49/04/947304904.db2.gz KGRRSHOUZWHCFA-QMMMGPOBSA-N -1 1 319.408 0.441 20 0 DCADMM Cn1nccc1[C@@H](NCc1cnc2c(cnn2C)c1)C(=O)[O-] ZINC001261845512 947456545 /nfs/dbraw/zinc/45/65/45/947456545.db2.gz DJFBLFIROIEFBJ-GFCCVEGCSA-N -1 1 300.322 0.617 20 0 DCADMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)Cc1c[nH]cn1 ZINC001411211204 947492120 /nfs/dbraw/zinc/49/21/20/947492120.db2.gz ANCKHKHGCJJATP-SNVBAGLBSA-N -1 1 321.385 0.097 20 0 DCADMM CC[C@]([N-]S(=O)(=O)c1csnc1OC)(C(N)=O)C(C)C ZINC001475183352 947596746 /nfs/dbraw/zinc/59/67/46/947596746.db2.gz ARRVVAKYCQYCIL-LLVKDONJSA-N -1 1 321.424 0.720 20 0 DCADMM CC(=O)NC1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001325317247 947754437 /nfs/dbraw/zinc/75/44/37/947754437.db2.gz YUUUCSUEBWDDPH-UHFFFAOYSA-N -1 1 319.390 0.759 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CC[C@H]3C(C)(C)C)ccnc1-2 ZINC001262791413 947773374 /nfs/dbraw/zinc/77/33/74/947773374.db2.gz SAXPGSQIYMKKKD-LBPRGKRZSA-N -1 1 315.377 0.927 20 0 DCADMM CN(Cc1ccc(F)cc1F)c1nnc(-c2nnn[n-]2)n1C ZINC001262852311 947778799 /nfs/dbraw/zinc/77/87/99/947778799.db2.gz MRDMGOJTIHGSPL-UHFFFAOYSA-N -1 1 306.280 0.910 20 0 DCADMM CN(Cc1ccc(F)cc1F)c1nnc(-c2nn[n-]n2)n1C ZINC001262852311 947778809 /nfs/dbraw/zinc/77/88/09/947778809.db2.gz MRDMGOJTIHGSPL-UHFFFAOYSA-N -1 1 306.280 0.910 20 0 DCADMM O=C(NC[C@H]1CNC(=O)O1)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190638021 947978137 /nfs/dbraw/zinc/97/81/37/947978137.db2.gz UFQYYYYUDPAMNZ-QMMMGPOBSA-N -1 1 315.289 0.082 20 0 DCADMM CC(=O)N(C)CCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573409354 948072939 /nfs/dbraw/zinc/07/29/39/948072939.db2.gz RGAGJCXKXBNAHF-UHFFFAOYSA-N -1 1 315.790 0.891 20 0 DCADMM CC(=O)N(C)CCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573409354 948072948 /nfs/dbraw/zinc/07/29/48/948072948.db2.gz RGAGJCXKXBNAHF-UHFFFAOYSA-N -1 1 315.790 0.891 20 0 DCADMM CO[C@@H](C(=O)N1CC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC001326257487 948111668 /nfs/dbraw/zinc/11/16/68/948111668.db2.gz QKFWOTPUGMOKKS-GXFFZTMASA-N -1 1 323.397 0.264 20 0 DCADMM CC(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573427118 948161666 /nfs/dbraw/zinc/16/16/66/948161666.db2.gz SMBWDQVUDNAOQR-KCJUWKMLSA-N -1 1 316.369 0.491 20 0 DCADMM CC(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573427118 948161668 /nfs/dbraw/zinc/16/16/68/948161668.db2.gz 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DCADMM C[C@H](CN1CCOCC1)C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC001592616518 978580127 /nfs/dbraw/zinc/58/01/27/978580127.db2.gz VJAHCQHFDDWAGY-BXUZGUMPSA-N -1 1 322.361 0.602 20 0 DCADMM C[C@@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)C(=O)[O-] ZINC001592654146 978635476 /nfs/dbraw/zinc/63/54/76/978635476.db2.gz FHECQBZFTVEVMW-QMMMGPOBSA-N -1 1 321.358 0.522 20 0 DCADMM C[C@H](CNCc1ccc(OCC(=O)[O-])cc1)S(C)(=O)=O ZINC001592711813 979200104 /nfs/dbraw/zinc/20/01/04/979200104.db2.gz ARQATDDTJAZLIH-SNVBAGLBSA-N -1 1 301.364 0.673 20 0 DCADMM C[C@H](Cc1ccccn1)NS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001592898780 979809937 /nfs/dbraw/zinc/80/99/37/979809937.db2.gz XQKAPGHMSYYKOE-MRVPVSSYSA-N -1 1 311.319 0.677 20 0 DCADMM C[C@](Cn1cccn1)([NH2+]CCC[N-]C(=O)C(F)(F)F)C(=O)[O-] ZINC001592922654 979917194 /nfs/dbraw/zinc/91/71/94/979917194.db2.gz BZLRASONBRAGQN-LLVKDONJSA-N -1 1 322.287 0.385 20 0 DCADMM C[C@H](NC(=O)CN1CC[C@@](O)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001593026470 980290254 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CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC(=O)[O-])C(=O)[O-] ZINC001594894670 982325878 /nfs/dbraw/zinc/32/58/78/982325878.db2.gz XAIPKKGXMQAROP-MJVIPROJSA-N -1 1 314.382 0.931 20 0 DCADMM CCCCOCCNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001595772044 982524651 /nfs/dbraw/zinc/52/46/51/982524651.db2.gz SAVKUNNZDVDGAW-CYBMUJFWSA-N -1 1 315.414 0.994 20 0 DCADMM O=C([O-])CC1([NH2+]Cc2nc3c(c(=O)[n-]2)COCC3)CCOCC1 ZINC001594983064 982784938 /nfs/dbraw/zinc/78/49/38/982784938.db2.gz DODQWUQHGCPPBK-UHFFFAOYSA-N -1 1 323.349 0.368 20 0 DCADMM O=C(c1cnncc1[O-])N1CCC[C@@H](N2CCCC2=O)CC1 ZINC001550815642 1014872729 /nfs/dbraw/zinc/87/27/29/1014872729.db2.gz PXMNBOKOAOBXRO-LLVKDONJSA-N -1 1 304.350 0.799 20 0 DCADMM CC[C@H](C)NC(=O)[C@H](C)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594986384 982811045 /nfs/dbraw/zinc/81/10/45/982811045.db2.gz BYWQDOLWDMGJCG-DCAQKATOSA-N -1 1 309.370 0.526 20 0 DCADMM CCCN1C(=O)C(=O)N(CN2CCC[C@@](C)(C(=O)[O-])C2)C1=O ZINC001595894794 982933407 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O=C([O-])c1ccc(C(=O)NCc2n[nH]c([C@@H]3CCOC3)n2)cc1 ZINC001574412490 983239189 /nfs/dbraw/zinc/23/91/89/983239189.db2.gz CCSPMFDJVCCAKP-LLVKDONJSA-N -1 1 316.317 0.937 20 0 DCADMM CCC[C@@H](NC(=O)c1nc[nH]c(=O)c1Br)C(=O)[O-] ZINC001596002382 983260498 /nfs/dbraw/zinc/26/04/98/983260498.db2.gz REAZQAQCLZHUQG-RXMQYKEDSA-N -1 1 318.127 0.928 20 0 DCADMM CCCN1C(=O)N=NC1SCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001596111244 983438768 /nfs/dbraw/zinc/43/87/68/983438768.db2.gz MFVXMNFVIVNSNU-VIFPVBQESA-N -1 1 316.383 0.711 20 0 DCADMM CCCOCC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001524389588 1014959955 /nfs/dbraw/zinc/95/99/55/1014959955.db2.gz UZKQUJCKVROLRQ-LBPRGKRZSA-N -1 1 321.377 0.838 20 0 DCADMM CCN(CC(=O)NC[C@H](Cc1ccncc1)C(=O)[O-])C1CC1 ZINC001596207562 983595279 /nfs/dbraw/zinc/59/52/79/983595279.db2.gz WVPRCXQHJFEQAC-ZDUSSCGKSA-N -1 1 305.378 0.925 20 0 DCADMM CCN(CCNCc1cc(C)ncn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596339380 983783553 /nfs/dbraw/zinc/78/35/53/983783553.db2.gz JVHKGOLJAKNVRY-CHWSQXEVSA-N -1 1 306.366 0.444 20 0 DCADMM Cc1cnc(C(=O)N2C[C@@H](CO)[C@@H](c3cnn(C)c3)C2)c([O-])c1 ZINC001551143146 1014979724 /nfs/dbraw/zinc/97/97/24/1014979724.db2.gz QKVUCKRGGIUONW-QWHCGFSZSA-N -1 1 316.361 0.677 20 0 DCADMM CCN1C(=O)[C@H]2CN(C[C@@H]3CC(C(=O)[O-])=C(C)O3)CCN2C1=O ZINC001596389706 983921821 /nfs/dbraw/zinc/92/18/21/983921821.db2.gz LSYWLLAFRQWOST-CMPLNLGQSA-N -1 1 323.349 0.102 20 0 DCADMM CCN1CCCC[C@H]1CNS(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001596424955 984070602 /nfs/dbraw/zinc/07/06/02/984070602.db2.gz MYBVLHBRUWFALU-NSHDSACASA-N -1 1 304.412 0.788 20 0 DCADMM CCN1CCN(CC(=O)NCc2ccccc2CC(=O)[O-])CC1 ZINC001596429927 984093717 /nfs/dbraw/zinc/09/37/17/984093717.db2.gz DHWUKSYQXSMDMR-UHFFFAOYSA-N -1 1 319.405 0.567 20 0 DCADMM CCN1CCN(CC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)CC1 ZINC001596431214 984100756 /nfs/dbraw/zinc/10/07/56/984100756.db2.gz RCDTXJDOLHYQCJ-UHFFFAOYSA-N -1 1 324.381 0.362 20 0 DCADMM CCNS(=O)(=O)CCNCc1ccccc1OCC(=O)[O-] ZINC001596495665 984240295 /nfs/dbraw/zinc/24/02/95/984240295.db2.gz FJCACNTUOMFECR-UHFFFAOYSA-N -1 1 316.379 0.179 20 0 DCADMM CS[C@H](C)CC(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001450319410 1015050001 /nfs/dbraw/zinc/05/00/01/1015050001.db2.gz MAIXVGUTEIQIDB-SECBINFHSA-N -1 1 309.391 0.869 20 0 DCADMM Cc1conc1C(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001383115550 984681018 /nfs/dbraw/zinc/68/10/18/984681018.db2.gz ZYMHKVAAQVPADH-SNVBAGLBSA-N -1 1 318.333 0.974 20 0 DCADMM C[C@H](NCc1ccc2c(c1)nnn2C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599900324 984809954 /nfs/dbraw/zinc/80/99/54/984809954.db2.gz KJXZWZHUZIRCGU-IUCAKERBSA-N -1 1 305.338 0.036 20 0 DCADMM CCOC(=O)c1cc(CN[C@](C)(COC)CC(=O)[O-])on1 ZINC001596707629 984916875 /nfs/dbraw/zinc/91/68/75/984916875.db2.gz VXQAQGTYNIFVJA-ZDUSSCGKSA-N -1 1 300.311 0.821 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)COC ZINC001531153881 1015087115 /nfs/dbraw/zinc/08/71/15/1015087115.db2.gz BHMJQVQTXQPTDV-GHMZBOCLSA-N -1 1 309.366 0.694 20 0 DCADMM Cc1nc[nH]c1C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001383701112 985020178 /nfs/dbraw/zinc/02/01/78/985020178.db2.gz KHEVHRRFWGZGNW-SECBINFHSA-N -1 1 317.349 0.709 20 0 DCADMM CC(=O)CCn1cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])nn1 ZINC001589041457 985105170 /nfs/dbraw/zinc/10/51/70/985105170.db2.gz YTLCRRITBPVZKE-UBHSHLNASA-N -1 1 306.366 0.942 20 0 DCADMM CC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001589075107 985226515 /nfs/dbraw/zinc/22/65/15/985226515.db2.gz GYSOWXGVGAGDLE-DGCLKSJQSA-N -1 1 311.382 0.005 20 0 DCADMM CC(=O)NCC[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC001589139983 985449541 /nfs/dbraw/zinc/44/95/41/985449541.db2.gz QGFOBCNTWKTSLT-JTQLQIEISA-N -1 1 308.334 0.796 20 0 DCADMM CCO[C@H]1COCC[C@@H]1CC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001596855978 985613212 /nfs/dbraw/zinc/61/32/12/985613212.db2.gz ZNRDUZSVPCJEBY-OLZOCXBDSA-N -1 1 314.382 0.047 20 0 DCADMM C[C@@H]1CN(C(=O)c2cnc3nccn3c2)CCN1CCC(=O)[O-] ZINC001594496725 985649571 /nfs/dbraw/zinc/64/95/71/985649571.db2.gz XYJHMOFLROMQFR-LLVKDONJSA-N -1 1 317.349 0.350 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCCCCO ZINC001594515462 985874032 /nfs/dbraw/zinc/87/40/32/985874032.db2.gz IBZJALJNLOWDNP-CYBMUJFWSA-N -1 1 315.414 0.730 20 0 DCADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001599967213 985928500 /nfs/dbraw/zinc/92/85/00/985928500.db2.gz HYFIRKSUCUFUMS-HTRCEHHLSA-N -1 1 321.255 0.956 20 0 DCADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC001594519486 985956721 /nfs/dbraw/zinc/95/67/21/985956721.db2.gz WRSYGIRIDVTONS-JHJVBQTASA-N -1 1 313.398 0.480 20 0 DCADMM CC(C)n1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)nn1 ZINC001594521665 985994329 /nfs/dbraw/zinc/99/43/29/985994329.db2.gz IQANQRBURWDWQB-NSHDSACASA-N -1 1 309.370 0.480 20 0 DCADMM CC(=O)c1ccc(O)c(NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC001589290846 986029679 /nfs/dbraw/zinc/02/96/79/986029679.db2.gz BTKCWAMCNBAMTI-UHFFFAOYSA-N -1 1 304.262 0.523 20 0 DCADMM CCOCCn1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cn1 ZINC001596945906 986089166 /nfs/dbraw/zinc/08/91/66/986089166.db2.gz UAFXZTAECVRNDC-LBPRGKRZSA-N -1 1 321.337 0.068 20 0 DCADMM C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001594584410 986460846 /nfs/dbraw/zinc/46/08/46/986460846.db2.gz GEQBOYQTESBDRP-ABAIWWIYSA-N -1 1 315.373 0.662 20 0 DCADMM C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001594584380 986461044 /nfs/dbraw/zinc/46/10/44/986461044.db2.gz FTZKGLZPYKTNLC-SWLSCSKDSA-N -1 1 317.389 0.432 20 0 DCADMM C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001594584908 986469490 /nfs/dbraw/zinc/46/94/90/986469490.db2.gz PBFQTWQQSQDSCT-AGIUHOORSA-N -1 1 307.394 0.088 20 0 DCADMM C[C@H]1CN2CCN1C[C@H]2C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001594585177 986474046 /nfs/dbraw/zinc/47/40/46/986474046.db2.gz VGQAJVLJQGJBTN-WPRPVWTQSA-N -1 1 310.379 0.097 20 0 DCADMM C[C@@H]1NCCn2c(C(=O)NC3(CC(=O)[O-])CCOCC3)ccc21 ZINC001594630711 986722382 /nfs/dbraw/zinc/72/23/82/986722382.db2.gz BLZKQAIXMDVIGZ-NSHDSACASA-N -1 1 321.377 0.906 20 0 DCADMM C[C@H](CNC(=O)[C@H](C)OCC1CC1)NC(=O)c1ncccc1[O-] ZINC001386201465 986948117 /nfs/dbraw/zinc/94/81/17/986948117.db2.gz OCDADPNTZYWHSD-MNOVXSKESA-N -1 1 321.377 0.837 20 0 DCADMM C[C@@H](CNC(=O)c1cncc(F)c1)NC(=O)c1ncccc1[O-] ZINC001386225347 986973468 /nfs/dbraw/zinc/97/34/68/986973468.db2.gz VWCCXANNFCRYCF-VIFPVBQESA-N -1 1 318.308 0.870 20 0 DCADMM COCCC1(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])CC1 ZINC001386233251 986982475 /nfs/dbraw/zinc/98/24/75/986982475.db2.gz BVFUBNFVZVALCU-LLVKDONJSA-N -1 1 321.377 0.838 20 0 DCADMM CCOCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001386459548 987160295 /nfs/dbraw/zinc/16/02/95/987160295.db2.gz GAYKMRZYQXXNPO-IWIIMEHWSA-N -1 1 305.334 0.010 20 0 DCADMM CC(C)(C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])N1CCCCC1 ZINC001589568169 987336200 /nfs/dbraw/zinc/33/62/00/987336200.db2.gz ZAABLAKXWBBNMH-NSHDSACASA-N -1 1 309.370 0.112 20 0 DCADMM C[C@@H](CNC(=O)CC(C)(C)O)CNC(=O)c1ncccc1[O-] ZINC001532199988 1015308633 /nfs/dbraw/zinc/30/86/33/1015308633.db2.gz WAAQDVQPHIINBZ-JTQLQIEISA-N -1 1 309.366 0.430 20 0 DCADMM CN(CCNC(=O)c1ccncn1)C(=O)c1ncccc1[O-] ZINC001387056333 987601854 /nfs/dbraw/zinc/60/18/54/987601854.db2.gz IKRRESRLALQLRX-UHFFFAOYSA-N -1 1 301.306 0.079 20 0 DCADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)C1=COCCO1 ZINC001387439961 987833213 /nfs/dbraw/zinc/83/32/13/987833213.db2.gz HHMWKUGXWJFVTD-SNVBAGLBSA-N -1 1 321.333 0.300 20 0 DCADMM CC[C@@H]1CCO[C@@H]1C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001387695592 988034585 /nfs/dbraw/zinc/03/45/85/988034585.db2.gz ITDXMQKSNBDIFZ-RISCZKNCSA-N -1 1 321.377 0.791 20 0 DCADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1cccn1C ZINC001387695316 988035902 /nfs/dbraw/zinc/03/59/02/988035902.db2.gz DPMBOARMNDFVKR-UHFFFAOYSA-N -1 1 302.334 0.628 20 0 DCADMM CCC(=O)NC[C@H]1CCCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001388355928 988225946 /nfs/dbraw/zinc/22/59/46/988225946.db2.gz UTFGLSUFWGRWJG-MRVPVSSYSA-N -1 1 324.337 0.027 20 0 DCADMM CSc1nc(=O)n(CC(=O)Nc2ccsc2C(=O)[O-])[nH]1 ZINC001599828780 988637811 /nfs/dbraw/zinc/63/78/11/988637811.db2.gz GDMUYKVJMQCHRC-UHFFFAOYSA-N -1 1 314.348 0.692 20 0 DCADMM C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001599836335 988749734 /nfs/dbraw/zinc/74/97/34/988749734.db2.gz ZJNFEWNVQAJNIC-QMMMGPOBSA-N -1 1 304.343 0.752 20 0 DCADMM CCc1nc(CNS(=O)(=O)CC2(C(=O)[O-])CCCC2)n[nH]1 ZINC001597673674 988776964 /nfs/dbraw/zinc/77/69/64/988776964.db2.gz DNELZIDZWPKXOX-UHFFFAOYSA-N -1 1 316.383 0.432 20 0 DCADMM O=C(NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ncccc1[O-] ZINC001389080084 988800596 /nfs/dbraw/zinc/80/05/96/988800596.db2.gz LQXHVWXDPDAXSO-MEWQQHAOSA-N -1 1 319.361 0.040 20 0 DCADMM CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001597703462 988941154 /nfs/dbraw/zinc/94/11/54/988941154.db2.gz OSORLRGLHVCUJR-QWHCGFSZSA-N -1 1 322.409 0.871 20 0 DCADMM Cc1nc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])c(C)o1 ZINC001389170370 988943210 /nfs/dbraw/zinc/94/32/10/988943210.db2.gz KMZUESXKELDDTC-MRVPVSSYSA-N -1 1 318.333 0.940 20 0 DCADMM C[C@@H]1CN(C(=O)NCc2n[nH]c(C3CC3)n2)C[C@H]1CC(=O)[O-] ZINC001599858775 989133011 /nfs/dbraw/zinc/13/30/11/989133011.db2.gz YCULPHIIEXRYCQ-PSASIEDQSA-N -1 1 307.354 0.934 20 0 DCADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cnn(C)c3C(F)F)nc2n1 ZINC001527344925 1015451792 /nfs/dbraw/zinc/45/17/92/1015451792.db2.gz KKTMKWXFQBJNPH-UHFFFAOYSA-N -1 1 323.263 0.649 20 0 DCADMM CCc1oc(C(=O)OC)cc1CN1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001597790608 989312092 /nfs/dbraw/zinc/31/20/92/989312092.db2.gz BQITZZDKICDVHU-QWRGUYRKSA-N -1 1 311.334 0.896 20 0 DCADMM O=C(NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1)C1C=CC=CC=C1 ZINC001389610454 989428465 /nfs/dbraw/zinc/42/84/65/989428465.db2.gz LJDSYPRDMRCWKA-CYBMUJFWSA-N -1 1 315.377 0.793 20 0 DCADMM C[C@@H](CN(C)C(=O)[C@@H]1CCOC1)NC(=O)c1ncccc1[O-] ZINC001450962181 1015486678 /nfs/dbraw/zinc/48/66/78/1015486678.db2.gz XMUPBXGAGSUGBG-WDEREUQCSA-N -1 1 307.350 0.400 20 0 DCADMM C[C@@H]1C[C@@H](C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)CO1 ZINC001389811989 989603826 /nfs/dbraw/zinc/60/38/26/989603826.db2.gz FTNYEEYEYYDVIF-GHMZBOCLSA-N -1 1 319.361 0.591 20 0 DCADMM CCn1cc(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cn1 ZINC001597880319 989702207 /nfs/dbraw/zinc/70/22/07/989702207.db2.gz JGYXDKKVRLJWAQ-LBPRGKRZSA-N -1 1 308.382 0.453 20 0 DCADMM COCCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001533075080 1015507384 /nfs/dbraw/zinc/50/73/84/1015507384.db2.gz ZDRQTXTZHYJRQI-RYUDHWBXSA-N -1 1 321.377 0.838 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@]12C[C@H]1COC2 ZINC001451010376 1015527424 /nfs/dbraw/zinc/52/74/24/1015527424.db2.gz VRHBDBNQKBSMEN-MMPTUQATSA-N -1 1 319.361 0.400 20 0 DCADMM CN(C)[C@]1(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CCSC1 ZINC001598182793 990746436 /nfs/dbraw/zinc/74/64/36/990746436.db2.gz JUEWYZGMCIKVNB-NSHDSACASA-N -1 1 322.452 0.350 20 0 DCADMM CC[C@@H](CC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1)C(C)C ZINC001391529691 990919638 /nfs/dbraw/zinc/91/96/38/990919638.db2.gz YGJDHLQWQQSYPY-ZDUSSCGKSA-N -1 1 323.441 0.729 20 0 DCADMM COc1cccc2c1CC[C@@]2(N)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001599689591 991046056 /nfs/dbraw/zinc/04/60/56/991046056.db2.gz JQFFJMOOXJJRQQ-QFYYESIMSA-N -1 1 306.362 0.975 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NCc1nnc(C)o1 ZINC001391678580 991083863 /nfs/dbraw/zinc/08/38/63/991083863.db2.gz QGCZHFLCFLSHNH-SNVBAGLBSA-N -1 1 305.338 0.777 20 0 DCADMM COc1ccccc1NCC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001599714379 991428042 /nfs/dbraw/zinc/42/80/42/991428042.db2.gz UMHRPQPQORPABT-UHFFFAOYSA-N -1 1 307.350 0.336 20 0 DCADMM Cc1ccn(C)c1C(=O)N(C)[C@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001392046498 991431400 /nfs/dbraw/zinc/43/14/00/991431400.db2.gz BXGQBNCBCWUDKT-SNVBAGLBSA-N -1 1 306.370 0.408 20 0 DCADMM Cc1cccnc1C(=O)N(C)[C@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001392060395 991450293 /nfs/dbraw/zinc/45/02/93/991450293.db2.gz LHJCRRJUMCMGRC-SNVBAGLBSA-N -1 1 304.354 0.464 20 0 DCADMM CC(C)[C@@H]1CNCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001591099425 991710818 /nfs/dbraw/zinc/71/08/18/991710818.db2.gz LRNHADRGPWKFPJ-ZDUSSCGKSA-N -1 1 319.361 0.780 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@@H](C)CCN[C@H](C)c2nncn2C)c1[O-] ZINC001392434305 991925679 /nfs/dbraw/zinc/92/56/79/991925679.db2.gz XEIQMZREQISNDK-WCBMZHEXSA-N -1 1 321.385 0.411 20 0 DCADMM CC(C)C[C@H](NC(=O)CN1CCC([C@H](C)CO)CC1)C(=O)[O-] ZINC001591168430 991947495 /nfs/dbraw/zinc/94/74/95/991947495.db2.gz YDOUKHVQSUATLO-OCCSQVGLSA-N -1 1 314.426 0.942 20 0 DCADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1c(F)cncc1F ZINC001392562500 992100028 /nfs/dbraw/zinc/10/00/28/992100028.db2.gz MYWYWHIEDBWUKD-LURJTMIESA-N -1 1 312.280 0.092 20 0 DCADMM CS(=O)(=O)Nc1ccc(C(=O)NCCCCC(=O)[O-])cn1 ZINC001599759980 992106913 /nfs/dbraw/zinc/10/69/13/992106913.db2.gz GXBJIAMDZGZEKK-UHFFFAOYSA-N -1 1 315.351 0.438 20 0 DCADMM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C(=O)[O-])no1 ZINC001599760268 992112147 /nfs/dbraw/zinc/11/21/47/992112147.db2.gz SRZLMQDXXFBDRS-NXEZZACHSA-N -1 1 317.367 0.323 20 0 DCADMM CCc1nc(C(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)c(C)o1 ZINC001392602751 992146073 /nfs/dbraw/zinc/14/60/73/992146073.db2.gz RSRRGBAEOGHPLV-ZETCQYMHSA-N -1 1 308.342 0.277 20 0 DCADMM CN(CCNCC(=O)Nc1ccccc1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001598495010 992346913 /nfs/dbraw/zinc/34/69/13/992346913.db2.gz FCNNIWIOVXLTIT-QWHCGFSZSA-N -1 1 319.361 0.394 20 0 DCADMM CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001598569095 993176221 /nfs/dbraw/zinc/17/62/21/993176221.db2.gz HCTBKUCRLGBGGJ-XJKSGUPXSA-N -1 1 306.362 0.385 20 0 DCADMM CN1C[C@@H]2CCN(S(=O)(=O)c3cccc(C(=O)[O-])c3)[C@@H]2C1 ZINC001598575194 993264057 /nfs/dbraw/zinc/26/40/57/993264057.db2.gz NBNBOKGZRHFOSK-WCQYABFASA-N -1 1 310.375 0.709 20 0 DCADMM CN([C@H]1CCCN(C)C1)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001598597050 993520867 /nfs/dbraw/zinc/52/08/67/993520867.db2.gz XYRZDCQFDOKORU-YNEHKIRRSA-N -1 1 318.439 0.986 20 0 DCADMM CCC[C@@H](C)C(=O)N[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC001394283061 993592877 /nfs/dbraw/zinc/59/28/77/993592877.db2.gz FUQZHPBAMYBLBH-NEPJUHHUSA-N -1 1 323.441 0.871 20 0 DCADMM C[C@@H](CC(=O)NCCN(C)Cc1nc(=O)n(C)[n-]1)n1cccc1 ZINC001399638809 993624758 /nfs/dbraw/zinc/62/47/58/993624758.db2.gz RUJDVFKALDACFE-LBPRGKRZSA-N -1 1 320.397 0.109 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])Cc1ncccn1 ZINC001399699981 993683896 /nfs/dbraw/zinc/68/38/96/993683896.db2.gz ORBXWVMBZNQEJI-UHFFFAOYSA-N -1 1 301.350 0.829 20 0 DCADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NCc1cnsn1 ZINC001394461973 993730789 /nfs/dbraw/zinc/73/07/89/993730789.db2.gz ANSBLLSRGDDUTL-VIFPVBQESA-N -1 1 307.379 0.889 20 0 DCADMM CCN(CCNC(=O)[C@@H](C)c1ccco1)Cc1nc(=O)n(C)[n-]1 ZINC001399753109 993739277 /nfs/dbraw/zinc/73/92/77/993739277.db2.gz AQNASFWIFZDXIV-NSHDSACASA-N -1 1 321.381 0.443 20 0 DCADMM COc1ccc(OC)c(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c1 ZINC001599600521 993808805 /nfs/dbraw/zinc/80/88/05/993808805.db2.gz ORWRARVZLGJVEX-LLVKDONJSA-N -1 1 322.361 0.792 20 0 DCADMM CN1CCN(C(=O)c2ccc3nonc3c2)C[C@H](C(=O)[O-])C1 ZINC001598612925 993817272 /nfs/dbraw/zinc/81/72/72/993817272.db2.gz DCWSCIMWLYNNGV-SNVBAGLBSA-N -1 1 304.306 0.311 20 0 DCADMM CN1CCN(C(=O)c2cnc3ccccc3n2)C[C@H](C(=O)[O-])C1 ZINC001598613250 993823583 /nfs/dbraw/zinc/82/35/83/993823583.db2.gz NWEKIKLMFJHZAS-LLVKDONJSA-N -1 1 314.345 0.718 20 0 DCADMM CN1CCN(C(=O)c2ccn(C(F)F)n2)C[C@H](C(=O)[O-])C1 ZINC001598613580 993833144 /nfs/dbraw/zinc/83/31/44/993833144.db2.gz YUEHRKZNBUMWTJ-MRVPVSSYSA-N -1 1 302.281 0.367 20 0 DCADMM CCCN(CCNC(=O)c1ncccc1[O-])Cc1nnc(C)[nH]1 ZINC001399950959 993977152 /nfs/dbraw/zinc/97/71/52/993977152.db2.gz AXCZSSYSNNVVAB-UHFFFAOYSA-N -1 1 318.381 0.856 20 0 DCADMM C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1CN(C)CCN1C ZINC001593160212 993989815 /nfs/dbraw/zinc/98/98/15/993989815.db2.gz VYOCZLCZQLSGLJ-GWCFXTLKSA-N -1 1 306.366 0.144 20 0 DCADMM CN1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598625603 994087211 /nfs/dbraw/zinc/08/72/11/994087211.db2.gz KRANMKDESOBJTI-XQHKEYJVSA-N -1 1 316.423 0.738 20 0 DCADMM CC(C)(C)[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)Cc1ccoc1 ZINC001394820097 994186474 /nfs/dbraw/zinc/18/64/74/994186474.db2.gz UQROAQJXOZBGDY-NSHDSACASA-N -1 1 321.381 0.967 20 0 DCADMM COc1ccc2c(c1)CN(CCC(=O)NCC(=O)[O-])CCO2 ZINC001599631067 994218696 /nfs/dbraw/zinc/21/86/96/994218696.db2.gz XCDVPSIGHVHEKW-UHFFFAOYSA-N -1 1 308.334 0.481 20 0 DCADMM CCCC[C@@](C)(F)C(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001400356417 994437994 /nfs/dbraw/zinc/43/79/94/994437994.db2.gz HMLVETOXCCDCCM-CQSZACIVSA-N -1 1 313.377 0.327 20 0 DCADMM COc1cccc([C@@H](C(=O)[O-])N2CCN(C[C@@H](C)O)CC2)c1 ZINC001599649965 994482591 /nfs/dbraw/zinc/48/25/91/994482591.db2.gz JLVICISOPNCAOY-DOMZBBRYSA-N -1 1 308.378 0.819 20 0 DCADMM CC[C@@H](CC(=O)NC1CN(Cc2nc(=O)n(C)[n-]2)C1)C(C)C ZINC001400431875 994509531 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/nfs/dbraw/zinc/41/94/34/548419434.db2.gz CXMJQDCGCOSPRZ-JTQLQIEISA-N -1 1 314.345 0.994 20 0 DCADMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCN(C)C(=O)C1)c2=O ZINC000682690280 548419439 /nfs/dbraw/zinc/41/94/39/548419439.db2.gz CXMJQDCGCOSPRZ-JTQLQIEISA-N -1 1 314.345 0.994 20 0 DCADMM O=C([O-])[C@@H](NC(=O)c1[nH]nc2c1CCCC2)[C@H]1CCCOC1 ZINC000683336260 548468887 /nfs/dbraw/zinc/46/88/87/548468887.db2.gz SGGCUMJPFWFWPW-CABZTGNLSA-N -1 1 307.350 0.898 20 0 DCADMM FC(F)(F)[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC000737626783 598856149 /nfs/dbraw/zinc/85/61/49/598856149.db2.gz LBLMQICGOAYRJP-ZCFIWIBFSA-N -1 1 301.232 0.424 20 0 DCADMM FC(F)(F)[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC000737626783 598856150 /nfs/dbraw/zinc/85/61/50/598856150.db2.gz LBLMQICGOAYRJP-ZCFIWIBFSA-N -1 1 301.232 0.424 20 0 DCADMM COc1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000737099231 599000377 /nfs/dbraw/zinc/00/03/77/599000377.db2.gz KTDSMRAELFCAEM-UHFFFAOYSA-N -1 1 311.305 0.942 20 0 DCADMM COc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000737099231 599000378 /nfs/dbraw/zinc/00/03/78/599000378.db2.gz KTDSMRAELFCAEM-UHFFFAOYSA-N -1 1 311.305 0.942 20 0 DCADMM O=C(Nn1cnc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738212643 599021360 /nfs/dbraw/zinc/02/13/60/599021360.db2.gz YHOPRRCMAHOHFL-UHFFFAOYSA-N -1 1 306.289 0.995 20 0 DCADMM O=C(Nn1cnc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738212643 599021362 /nfs/dbraw/zinc/02/13/62/599021362.db2.gz YHOPRRCMAHOHFL-UHFFFAOYSA-N -1 1 306.289 0.995 20 0 DCADMM CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736872097 599022984 /nfs/dbraw/zinc/02/29/84/599022984.db2.gz WYECHFCGAOBMNM-NSHDSACASA-N -1 1 315.337 0.002 20 0 DCADMM CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736872097 599022987 /nfs/dbraw/zinc/02/29/87/599022987.db2.gz WYECHFCGAOBMNM-NSHDSACASA-N -1 1 315.337 0.002 20 0 DCADMM COc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737131289 599027289 /nfs/dbraw/zinc/02/72/89/599027289.db2.gz BRERUSXPWBEZLP-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000737131289 599027290 /nfs/dbraw/zinc/02/72/90/599027290.db2.gz BRERUSXPWBEZLP-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NCC1CCC1 ZINC000737907412 599137007 /nfs/dbraw/zinc/13/70/07/599137007.db2.gz CWUHWPRFUXVMCU-UHFFFAOYSA-N -1 1 316.321 0.335 20 0 DCADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NCC1CCC1 ZINC000737907412 599137008 /nfs/dbraw/zinc/13/70/08/599137008.db2.gz CWUHWPRFUXVMCU-UHFFFAOYSA-N -1 1 316.321 0.335 20 0 DCADMM CC(C)C[C@@H](NC(=O)CN1CCC[C@@H](CCO)C1)C(=O)[O-] ZINC000736413852 599814701 /nfs/dbraw/zinc/81/47/01/599814701.db2.gz VOICXEQMDQJQFQ-QWHCGFSZSA-N -1 1 300.399 0.696 20 0 DCADMM O=C([O-])C1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000740482325 596917941 /nfs/dbraw/zinc/91/79/41/596917941.db2.gz XQQYGMDBNKOQNV-UHFFFAOYSA-N -1 1 312.391 0.762 20 0 DCADMM CN(c1nccs1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821618902 599233276 /nfs/dbraw/zinc/23/32/76/599233276.db2.gz AHEZQMZUSHNIBG-UHFFFAOYSA-N -1 1 323.363 0.543 20 0 DCADMM CN(c1nccs1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821618902 599233279 /nfs/dbraw/zinc/23/32/79/599233279.db2.gz AHEZQMZUSHNIBG-UHFFFAOYSA-N -1 1 323.363 0.543 20 0 DCADMM CC(C)[C@H](CNC(=O)NCCCC(=O)[O-])N1CCN(C)CC1 ZINC000817853167 597284934 /nfs/dbraw/zinc/28/49/34/597284934.db2.gz BEBPITVYYFBFKN-ZDUSSCGKSA-N -1 1 314.430 0.422 20 0 DCADMM CN1CCN(C)[C@H](CNC(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000390251162 597322568 /nfs/dbraw/zinc/32/25/68/597322568.db2.gz WSGKNTMXLUGRBG-CYBMUJFWSA-N -1 1 320.393 0.681 20 0 DCADMM CC(=O)NCCN(Cc1cccc2c1OCCO2)[C@@H](C)C(=O)[O-] ZINC000819780026 597678027 /nfs/dbraw/zinc/67/80/27/597678027.db2.gz BSTUMISHAHIUJS-NSHDSACASA-N -1 1 322.361 0.869 20 0 DCADMM CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736276181 598258827 /nfs/dbraw/zinc/25/88/27/598258827.db2.gz MSGPSSMBMJMUTM-UHFFFAOYSA-N -1 1 308.367 0.682 20 0 DCADMM CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736276181 598258828 /nfs/dbraw/zinc/25/88/28/598258828.db2.gz MSGPSSMBMJMUTM-UHFFFAOYSA-N -1 1 308.367 0.682 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCO1 ZINC000736131780 598263395 /nfs/dbraw/zinc/26/33/95/598263395.db2.gz RURJTMUJGUKCLX-LDYMZIIASA-N -1 1 324.366 0.108 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCO1 ZINC000736131780 598263396 /nfs/dbraw/zinc/26/33/96/598263396.db2.gz RURJTMUJGUKCLX-LDYMZIIASA-N -1 1 324.366 0.108 20 0 DCADMM COc1cc2c(nn1)CCN(c1nccnc1-c1nnn[n-]1)C2 ZINC000737054649 598332932 /nfs/dbraw/zinc/33/29/32/598332932.db2.gz BSQZDMBPQVOFQQ-UHFFFAOYSA-N -1 1 311.309 0.018 20 0 DCADMM COc1cc2c(nn1)CCN(c1nccnc1-c1nn[n-]n1)C2 ZINC000737054649 598332934 /nfs/dbraw/zinc/33/29/34/598332934.db2.gz BSQZDMBPQVOFQQ-UHFFFAOYSA-N -1 1 311.309 0.018 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(NCCCOC[C@H]2CCCO2)n1 ZINC000738446478 598340037 /nfs/dbraw/zinc/34/00/37/598340037.db2.gz ZBQZCKDWEREIRQ-SNVBAGLBSA-N -1 1 305.342 0.654 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(NCCCOC[C@H]2CCCO2)n1 ZINC000738446478 598340039 /nfs/dbraw/zinc/34/00/39/598340039.db2.gz ZBQZCKDWEREIRQ-SNVBAGLBSA-N -1 1 305.342 0.654 20 0 DCADMM c1cnc(N2CCC[C@H](c3ccncn3)C2)c(-c2nnn[n-]2)n1 ZINC000738413068 598347352 /nfs/dbraw/zinc/34/73/52/598347352.db2.gz QRQALAXWIIAGDO-JTQLQIEISA-N -1 1 309.337 0.831 20 0 DCADMM c1cnc(N2CCC[C@H](c3ccncn3)C2)c(-c2nn[n-]n2)n1 ZINC000738413068 598347353 /nfs/dbraw/zinc/34/73/53/598347353.db2.gz QRQALAXWIIAGDO-JTQLQIEISA-N -1 1 309.337 0.831 20 0 DCADMM Cc1nn(Cc2nnc(C(C)C)o2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737522905 598378682 /nfs/dbraw/zinc/37/86/82/598378682.db2.gz OCDDEBFYCMHXNC-UHFFFAOYSA-N -1 1 316.325 0.595 20 0 DCADMM Oc1ccc(N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000738400110 598384830 /nfs/dbraw/zinc/38/48/30/598384830.db2.gz CNNYKXKGUKVGKJ-UHFFFAOYSA-N -1 1 324.348 0.689 20 0 DCADMM Oc1ccc(N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000738400110 598384832 /nfs/dbraw/zinc/38/48/32/598384832.db2.gz CNNYKXKGUKVGKJ-UHFFFAOYSA-N 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ZINC000834077485 605965447 /nfs/dbraw/zinc/96/54/47/605965447.db2.gz XNWNBWXKXKPWOK-WDEREUQCSA-N -1 1 322.369 0.686 20 0 DCADMM C[C@H]1[C@H](C)N(C(=O)[O-])CCN1CCCOC(=O)NC(N)=O ZINC000833831433 606045002 /nfs/dbraw/zinc/04/50/02/606045002.db2.gz YMWDZTGANIXSJX-IUCAKERBSA-N -1 1 302.331 0.254 20 0 DCADMM Cc1noc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC000822519390 606155425 /nfs/dbraw/zinc/15/54/25/606155425.db2.gz FNVQVDPPOWISKT-YFKPBYRVSA-N -1 1 318.301 0.174 20 0 DCADMM Cc1noc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC000822519390 606155426 /nfs/dbraw/zinc/15/54/26/606155426.db2.gz FNVQVDPPOWISKT-YFKPBYRVSA-N -1 1 318.301 0.174 20 0 DCADMM CC[C@H]1COCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821000177 606165032 /nfs/dbraw/zinc/16/50/32/606165032.db2.gz AQJRJLQQAIKWFX-QMMMGPOBSA-N -1 1 306.330 0.243 20 0 DCADMM CC[C@H]1COCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821000177 606165034 /nfs/dbraw/zinc/16/50/34/606165034.db2.gz AQJRJLQQAIKWFX-QMMMGPOBSA-N -1 1 306.330 0.243 20 0 DCADMM OCCCN(CCO)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823717669 606223741 /nfs/dbraw/zinc/22/37/41/606223741.db2.gz IVFOFELFPLHYLR-UHFFFAOYSA-N -1 1 314.349 0.596 20 0 DCADMM OCCCN(CCO)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823717669 606223743 /nfs/dbraw/zinc/22/37/43/606223743.db2.gz IVFOFELFPLHYLR-UHFFFAOYSA-N -1 1 314.349 0.596 20 0 DCADMM CCC[C@H](NC(=O)c1sccc1-c1nn[nH]n1)c1nn[n-]n1 ZINC000821022716 606304710 /nfs/dbraw/zinc/30/47/10/606304710.db2.gz TVSCXFMWEDKCJM-ZETCQYMHSA-N -1 1 319.354 0.713 20 0 DCADMM COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821654096 606395637 /nfs/dbraw/zinc/39/56/37/606395637.db2.gz TXVVAQVVJOKUOJ-VIFPVBQESA-N -1 1 320.334 0.729 20 0 DCADMM Nc1n[nH]c(CCCNc2cccc(F)n2)c1-c1nn[n-]n1 ZINC000822899328 606442322 /nfs/dbraw/zinc/44/23/22/606442322.db2.gz GJXLMACMCYIKIS-UHFFFAOYSA-N -1 1 303.305 0.751 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC(C)(C)C ZINC000820390203 606533694 /nfs/dbraw/zinc/53/36/94/606533694.db2.gz GEDYTVREOYZXKF-ZETCQYMHSA-N -1 1 322.394 0.961 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC(C)(C)C ZINC000820390203 606533695 /nfs/dbraw/zinc/53/36/95/606533695.db2.gz GEDYTVREOYZXKF-ZETCQYMHSA-N -1 1 322.394 0.961 20 0 DCADMM C[C@H](O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820479714 606553158 /nfs/dbraw/zinc/55/31/58/606553158.db2.gz BGPPKFAQIRRJMG-VIFPVBQESA-N -1 1 322.394 0.067 20 0 DCADMM Cn1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1=O ZINC000822689827 606560844 /nfs/dbraw/zinc/56/08/44/606560844.db2.gz OYYRANVTTGLBCJ-UHFFFAOYSA-N -1 1 302.319 0.879 20 0 DCADMM CC(C)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000820128506 606563183 /nfs/dbraw/zinc/56/31/83/606563183.db2.gz QBMMKUIFWKRTEF-QMMMGPOBSA-N -1 1 320.378 0.667 20 0 DCADMM CC(C)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000820128506 606563185 /nfs/dbraw/zinc/56/31/85/606563185.db2.gz QBMMKUIFWKRTEF-QMMMGPOBSA-N -1 1 320.378 0.667 20 0 DCADMM COC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000821684688 606573114 /nfs/dbraw/zinc/57/31/14/606573114.db2.gz HTFDIJIQLVNBQA-QMMMGPOBSA-N -1 1 309.351 0.416 20 0 DCADMM COC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000821684688 606573116 /nfs/dbraw/zinc/57/31/16/606573116.db2.gz HTFDIJIQLVNBQA-QMMMGPOBSA-N -1 1 309.351 0.416 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccsc2)n1 ZINC000822619902 606596277 /nfs/dbraw/zinc/59/62/77/606596277.db2.gz KBKODJRWKKOIRC-UHFFFAOYSA-N -1 1 304.339 0.983 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccsc2)n1 ZINC000822619902 606596278 /nfs/dbraw/zinc/59/62/78/606596278.db2.gz KBKODJRWKKOIRC-UHFFFAOYSA-N -1 1 304.339 0.983 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCC[C@H]2O)n1 ZINC000822614406 606597370 /nfs/dbraw/zinc/59/73/70/606597370.db2.gz MTNGRAPPEDGGBF-DTWKUNHWSA-N -1 1 306.330 0.025 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCC[C@H]2O)n1 ZINC000822614406 606597372 /nfs/dbraw/zinc/59/73/72/606597372.db2.gz MTNGRAPPEDGGBF-DTWKUNHWSA-N -1 1 306.330 0.025 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@]3(CCOC3)C2)n1 ZINC000822608206 606836761 /nfs/dbraw/zinc/83/67/61/606836761.db2.gz APVOMEWBSNSUGI-ZDUSSCGKSA-N -1 1 318.341 0.245 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@]3(CCOC3)C2)n1 ZINC000822608206 606836763 /nfs/dbraw/zinc/83/67/63/606836763.db2.gz APVOMEWBSNSUGI-ZDUSSCGKSA-N -1 1 318.341 0.245 20 0 DCADMM Cc1cc(F)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1F ZINC000822203272 606908032 /nfs/dbraw/zinc/90/80/32/606908032.db2.gz LWTASJKPMKTXMX-UHFFFAOYSA-N -1 1 305.248 0.921 20 0 DCADMM C[C@@H]1N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCOC1(C)C ZINC000820819110 607069523 /nfs/dbraw/zinc/06/95/23/607069523.db2.gz FDRJMXYIJAJTDQ-QMMMGPOBSA-N -1 1 320.357 0.631 20 0 DCADMM C[C@@H]1N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCOC1(C)C ZINC000820819110 607069524 /nfs/dbraw/zinc/06/95/24/607069524.db2.gz FDRJMXYIJAJTDQ-QMMMGPOBSA-N -1 1 320.357 0.631 20 0 DCADMM O=C(CCn1ccccc1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822986963 607103439 /nfs/dbraw/zinc/10/34/39/607103439.db2.gz ONJPEXKWFAULLQ-UHFFFAOYSA-N -1 1 317.334 0.514 20 0 DCADMM O=C(CCn1ccccc1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822986963 607103440 /nfs/dbraw/zinc/10/34/40/607103440.db2.gz ONJPEXKWFAULLQ-UHFFFAOYSA-N -1 1 317.334 0.514 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1csc2nccn12 ZINC000822904339 607146967 /nfs/dbraw/zinc/14/69/67/607146967.db2.gz WEIHONOZHWMPBH-UHFFFAOYSA-N -1 1 315.322 0.238 20 0 DCADMM COc1ccccc1OC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821904248 607156853 /nfs/dbraw/zinc/15/68/53/607156853.db2.gz TUEOMVXINANCHT-UHFFFAOYSA-N -1 1 301.266 0.072 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc2[nH]ccc21 ZINC000823136132 607212846 /nfs/dbraw/zinc/21/28/46/607212846.db2.gz LJVAWEJMAZDIMG-UHFFFAOYSA-N -1 1 309.293 0.578 20 0 DCADMM C[C@@H](CCC(C)(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820242247 607217752 /nfs/dbraw/zinc/21/77/52/607217752.db2.gz MEHCALXUKWNYJU-VIFPVBQESA-N -1 1 306.374 0.789 20 0 DCADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CCC(C)(C)CC1 ZINC000821571850 607222750 /nfs/dbraw/zinc/22/27/50/607222750.db2.gz IHVXWCSVNSLLCO-UHFFFAOYSA-N -1 1 318.385 0.885 20 0 DCADMM C[C@H]1CN(C(=O)COc2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824970970 607865803 /nfs/dbraw/zinc/86/58/03/607865803.db2.gz ZPABRMORUVOCPM-VIFPVBQESA-N -1 1 321.312 0.632 20 0 DCADMM C[C@H]1CN(C(=O)COc2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824970970 607865804 /nfs/dbraw/zinc/86/58/04/607865804.db2.gz ZPABRMORUVOCPM-VIFPVBQESA-N -1 1 321.312 0.632 20 0 DCADMM C[C@@H]1CN(C(=O)COc2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824970968 607865911 /nfs/dbraw/zinc/86/59/11/607865911.db2.gz ZPABRMORUVOCPM-SECBINFHSA-N -1 1 321.312 0.632 20 0 DCADMM C[C@@H]1CN(C(=O)COc2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824970968 607865912 /nfs/dbraw/zinc/86/59/12/607865912.db2.gz ZPABRMORUVOCPM-SECBINFHSA-N -1 1 321.312 0.632 20 0 DCADMM Cc1cccc(OC[C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826300083 607869196 /nfs/dbraw/zinc/86/91/96/607869196.db2.gz IDKZMZJKCSFPAR-JTQLQIEISA-N -1 1 301.310 0.207 20 0 DCADMM Cc1cnc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nc1 ZINC000826319234 607965226 /nfs/dbraw/zinc/96/52/26/607965226.db2.gz UNGNPOIQQCXBGJ-UHFFFAOYSA-N -1 1 300.330 0.315 20 0 DCADMM CC(C)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000824178129 607988947 /nfs/dbraw/zinc/98/89/47/607988947.db2.gz MZFJTXMBDIBNTD-UHFFFAOYSA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000824178129 607988948 /nfs/dbraw/zinc/98/89/48/607988948.db2.gz MZFJTXMBDIBNTD-UHFFFAOYSA-N -1 1 316.369 0.716 20 0 DCADMM c1cnn(-c2cc(CNc3ccc(-c4nnn[n-]4)nn3)ccn2)c1 ZINC000826526047 607989403 /nfs/dbraw/zinc/98/94/03/607989403.db2.gz JDFFERXMTHNYDK-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cnn(-c2cc(CNc3ccc(-c4nn[n-]n4)nn3)ccn2)c1 ZINC000826526047 607989404 /nfs/dbraw/zinc/98/94/04/607989404.db2.gz JDFFERXMTHNYDK-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nnc(CNc2ccc(-c3nnn[n-]3)nn2)n1-c1ccccc1 ZINC000826520056 607989409 /nfs/dbraw/zinc/98/94/09/607989409.db2.gz ZAOQKMXHFKQZPC-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1nnc(CNc2ccc(-c3nn[n-]n3)nn2)n1-c1ccccc1 ZINC000826520056 607989410 /nfs/dbraw/zinc/98/94/10/607989410.db2.gz ZAOQKMXHFKQZPC-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM O=C(O[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000826462348 608076921 /nfs/dbraw/zinc/07/69/21/608076921.db2.gz VYUOXOQONKOZOW-QMMMGPOBSA-N -1 1 319.346 0.848 20 0 DCADMM O=C(O[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000826462348 608076922 /nfs/dbraw/zinc/07/69/22/608076922.db2.gz VYUOXOQONKOZOW-QMMMGPOBSA-N -1 1 319.346 0.848 20 0 DCADMM CC(=O)O[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000824005173 608199439 /nfs/dbraw/zinc/19/94/39/608199439.db2.gz LXEOESQVYAORFM-LLVKDONJSA-N -1 1 316.321 0.429 20 0 DCADMM CC(=O)O[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000824005173 608199441 /nfs/dbraw/zinc/19/94/41/608199441.db2.gz LXEOESQVYAORFM-LLVKDONJSA-N -1 1 316.321 0.429 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1CC=CC1 ZINC000825923274 608211503 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DCADMM O=C([O-])Nc1scnc1C(=O)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001574384781 1163711449 /nfs/dbraw/zinc/71/14/49/1163711449.db2.gz PTPZPZFZESZVIN-RXMQYKEDSA-N -1 1 309.311 0.376 20 0 DCADMM O=C([O-])[C@]12CCC[C@H]1C[C@@H](NCc1nnc3n1CCNC3=O)C2 ZINC001574435462 1163723313 /nfs/dbraw/zinc/72/33/13/1163723313.db2.gz OMBQDMOUBXXTJJ-WMFXKJRFSA-N -1 1 319.365 0.145 20 0 DCADMM C[C@H](CCNC(=O)C(C)(C)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574588140 1163732572 /nfs/dbraw/zinc/73/25/72/1163732572.db2.gz QENDUMZMRBZTGX-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@H](CCNC(=O)C(C)(C)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574588140 1163732577 /nfs/dbraw/zinc/73/25/77/1163732577.db2.gz QENDUMZMRBZTGX-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@@H](CCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1C[C@@H]1C ZINC001574673730 1163738752 /nfs/dbraw/zinc/73/87/52/1163738752.db2.gz NDQIAMDOVCTOIL-GUBZILKMSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)C1CCC1 ZINC001574823980 1163761591 /nfs/dbraw/zinc/76/15/91/1163761591.db2.gz JBERWQUSVLACSO-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)C1CCC1 ZINC001574823980 1163761598 /nfs/dbraw/zinc/76/15/98/1163761598.db2.gz JBERWQUSVLACSO-VIFPVBQESA-N -1 1 316.369 0.398 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574830459 1163761684 /nfs/dbraw/zinc/76/16/84/1163761684.db2.gz QICOWXRLIJLCPD-QMMMGPOBSA-N -1 1 322.348 0.346 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574830459 1163761692 /nfs/dbraw/zinc/76/16/92/1163761692.db2.gz QICOWXRLIJLCPD-QMMMGPOBSA-N -1 1 322.348 0.346 20 0 DCADMM CC(C)[C@@H](C)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574837705 1163765811 /nfs/dbraw/zinc/76/58/11/1163765811.db2.gz UALLEPJOVXNKJV-VHSXEESVSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@@H](C)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574837705 1163765815 /nfs/dbraw/zinc/76/58/15/1163765815.db2.gz UALLEPJOVXNKJV-VHSXEESVSA-N -1 1 318.385 0.865 20 0 DCADMM C[C@H](CNC(=O)[C@@H](C)C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574837521 1163766808 /nfs/dbraw/zinc/76/68/08/1163766808.db2.gz SBMRFPRWQYBVJR-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNC(=O)[C@@H](C)C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574837521 1163766813 /nfs/dbraw/zinc/76/68/13/1163766813.db2.gz SBMRFPRWQYBVJR-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574839554 1163767304 /nfs/dbraw/zinc/76/73/04/1163767304.db2.gz DLKKDKFETCGLSJ-KCJUWKMLSA-N -1 1 322.348 0.567 20 0 DCADMM CC(C)[C@H](F)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574839554 1163767311 /nfs/dbraw/zinc/76/73/11/1163767311.db2.gz DLKKDKFETCGLSJ-KCJUWKMLSA-N -1 1 322.348 0.567 20 0 DCADMM C[C@@H](CNC(=O)C1CCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574868271 1163780308 /nfs/dbraw/zinc/78/03/08/1163780308.db2.gz HYYBGAUKKVKALM-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM C[C@H](CNC(=O)CC1(C)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574894267 1163789950 /nfs/dbraw/zinc/78/99/50/1163789950.db2.gz FZWKSWNSSZVVNM-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)CC1(C)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574894267 1163789954 /nfs/dbraw/zinc/78/99/54/1163789954.db2.gz FZWKSWNSSZVVNM-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM CO[C@H]1CCC[C@@H](C(=O)NCCNC(=O)c2ncccc2[O-])C1 ZINC001575059420 1163873858 /nfs/dbraw/zinc/87/38/58/1163873858.db2.gz SARSAHWNWACJOV-NEPJUHHUSA-N -1 1 321.377 0.838 20 0 DCADMM C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccccc1 ZINC001575416883 1164006822 /nfs/dbraw/zinc/00/68/22/1164006822.db2.gz HUPKIMXOVWHUFF-MRVPVSSYSA-N -1 1 313.321 0.839 20 0 DCADMM CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001575751906 1164134913 /nfs/dbraw/zinc/13/49/13/1164134913.db2.gz FYIXDQCMIPZGBP-BONVTDFDSA-N -1 1 314.349 0.693 20 0 DCADMM CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001575751906 1164134915 /nfs/dbraw/zinc/13/49/15/1164134915.db2.gz FYIXDQCMIPZGBP-BONVTDFDSA-N -1 1 314.349 0.693 20 0 DCADMM C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576233735 1164276997 /nfs/dbraw/zinc/27/69/97/1164276997.db2.gz QHFRFYZIRBGPHK-KCJUWKMLSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576233735 1164277006 /nfs/dbraw/zinc/27/70/06/1164277006.db2.gz QHFRFYZIRBGPHK-KCJUWKMLSA-N -1 1 314.353 0.326 20 0 DCADMM C/C=C(/C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001576401148 1164325357 /nfs/dbraw/zinc/32/53/57/1164325357.db2.gz LOYAVUXSZHVZTJ-OQFOIZHKSA-N -1 1 314.353 0.684 20 0 DCADMM C/C=C(/C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001576401148 1164325362 /nfs/dbraw/zinc/32/53/62/1164325362.db2.gz LOYAVUXSZHVZTJ-OQFOIZHKSA-N -1 1 314.353 0.684 20 0 DCADMM C/C=C(\C)C(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576399938 1164325383 /nfs/dbraw/zinc/32/53/83/1164325383.db2.gz CDHFAWQLECYTGJ-WEVVVXLNSA-N -1 1 316.369 0.484 20 0 DCADMM C/C=C(\C)C(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576399938 1164325388 /nfs/dbraw/zinc/32/53/88/1164325388.db2.gz CDHFAWQLECYTGJ-WEVVVXLNSA-N -1 1 316.369 0.484 20 0 DCADMM C/C=C(\C)C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001576399240 1164325663 /nfs/dbraw/zinc/32/56/63/1164325663.db2.gz XSURGFOBTTZZMJ-NAZIUFLLSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(\C)C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001576399240 1164325671 /nfs/dbraw/zinc/32/56/71/1164325671.db2.gz XSURGFOBTTZZMJ-NAZIUFLLSA-N -1 1 316.369 0.882 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001576444909 1164346514 /nfs/dbraw/zinc/34/65/14/1164346514.db2.gz MVKYNCJISZPKMV-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001576444909 1164346520 /nfs/dbraw/zinc/34/65/20/1164346520.db2.gz MVKYNCJISZPKMV-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001576444419 1164348691 /nfs/dbraw/zinc/34/86/91/1164348691.db2.gz HBTADOZUDVANNT-NXEZZACHSA-N -1 1 316.369 0.540 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001576583308 1164403509 /nfs/dbraw/zinc/40/35/09/1164403509.db2.gz WWVZJZLGMINYKF-ZJUUUORDSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@H](C)C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001576583308 1164403511 /nfs/dbraw/zinc/40/35/11/1164403511.db2.gz WWVZJZLGMINYKF-ZJUUUORDSA-N -1 1 318.385 0.867 20 0 DCADMM CC[C@H](CCO)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001576767328 1164456104 /nfs/dbraw/zinc/45/61/04/1164456104.db2.gz NEIFNECYZVGJJV-SECBINFHSA-N -1 1 320.353 0.414 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576965615 1164559303 /nfs/dbraw/zinc/55/93/03/1164559303.db2.gz KKVLDZZTQIHVSB-IUCAKERBSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@H](F)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576965615 1164559307 /nfs/dbraw/zinc/55/93/07/1164559307.db2.gz KKVLDZZTQIHVSB-IUCAKERBSA-N -1 1 320.332 0.100 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576968882 1164561770 /nfs/dbraw/zinc/56/17/70/1164561770.db2.gz GTUVLWTTXBRHEO-IWSPIJDZSA-N -1 1 320.332 0.464 20 0 DCADMM CC[C@@H](F)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576968882 1164561776 /nfs/dbraw/zinc/56/17/76/1164561776.db2.gz GTUVLWTTXBRHEO-IWSPIJDZSA-N -1 1 320.332 0.464 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001577187985 1164627336 /nfs/dbraw/zinc/62/73/36/1164627336.db2.gz OSMJFVIKMWJIOV-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001577187985 1164627340 /nfs/dbraw/zinc/62/73/40/1164627340.db2.gz OSMJFVIKMWJIOV-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCCC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001577197287 1164630858 /nfs/dbraw/zinc/63/08/58/1164630858.db2.gz DVOXXIPRNWQSMF-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001577197287 1164630864 /nfs/dbraw/zinc/63/08/64/1164630864.db2.gz DVOXXIPRNWQSMF-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577200225 1164631783 /nfs/dbraw/zinc/63/17/83/1164631783.db2.gz HQZPBHLGVVCCHY-NXEZZACHSA-N -1 1 316.369 0.138 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577218692 1164640660 /nfs/dbraw/zinc/64/06/60/1164640660.db2.gz BLQCYTZBFBSHKY-MGCOHNPYSA-N -1 1 316.369 0.764 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577218692 1164640662 /nfs/dbraw/zinc/64/06/62/1164640662.db2.gz BLQCYTZBFBSHKY-MGCOHNPYSA-N -1 1 316.369 0.764 20 0 DCADMM CCC[C@@H](C)[C@H](CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001577282073 1164659590 /nfs/dbraw/zinc/65/95/90/1164659590.db2.gz AVOZTSDMTGDNFB-SCZZXKLOSA-N -1 1 322.373 0.519 20 0 DCADMM CCC[C@@H](C)[C@H](CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001577282073 1164659596 /nfs/dbraw/zinc/65/95/96/1164659596.db2.gz AVOZTSDMTGDNFB-SCZZXKLOSA-N -1 1 322.373 0.519 20 0 DCADMM CCCCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577403217 1164684714 /nfs/dbraw/zinc/68/47/14/1164684714.db2.gz MREHBOVWICPJHR-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577403217 1164684719 /nfs/dbraw/zinc/68/47/19/1164684719.db2.gz MREHBOVWICPJHR-JTQLQIEISA-N -1 1 316.369 0.860 20 0 DCADMM CCCCC(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577407811 1164686258 /nfs/dbraw/zinc/68/62/58/1164686258.db2.gz BRRSRDUKAFCNFC-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577407811 1164686263 /nfs/dbraw/zinc/68/62/63/1164686263.db2.gz BRRSRDUKAFCNFC-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCC(=O)N1CCN(CCCNC(=O)c2ncccc2[O-])CC1 ZINC001577831861 1164808046 /nfs/dbraw/zinc/80/80/46/1164808046.db2.gz OGQCRPKSVASZCS-UHFFFAOYSA-N -1 1 320.393 0.461 20 0 DCADMM CCNC(=O)[C@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001578227749 1164959031 /nfs/dbraw/zinc/95/90/31/1164959031.db2.gz UGLYJQJNBQDGKC-ZETCQYMHSA-N -1 1 323.382 0.252 20 0 DCADMM CCOC1CN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001578341647 1164976879 /nfs/dbraw/zinc/97/68/79/1164976879.db2.gz ZNVPYVKWAHUAJG-UHFFFAOYSA-N -1 1 304.310 0.137 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001578434751 1165015196 /nfs/dbraw/zinc/01/51/96/1165015196.db2.gz QRYQQOCBRXTSGA-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001578434751 1165015205 /nfs/dbraw/zinc/01/52/05/1165015205.db2.gz QRYQQOCBRXTSGA-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCC[C@]3(CO)C2)n1 ZINC001578598502 1165067808 /nfs/dbraw/zinc/06/78/08/1165067808.db2.gz UUZDWRJBNNHHIY-ZUZCIYMTSA-N -1 1 315.381 0.818 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCC[C@]3(CO)C2)n1 ZINC001578598502 1165067815 /nfs/dbraw/zinc/06/78/15/1165067815.db2.gz UUZDWRJBNNHHIY-ZUZCIYMTSA-N -1 1 315.381 0.818 20 0 DCADMM CCc1nc(N[C@@H]2CN(C(C)=O)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001578645951 1165076087 /nfs/dbraw/zinc/07/60/87/1165076087.db2.gz ZBFZCEPNTWGMKW-GZMMTYOYSA-N -1 1 316.369 0.498 20 0 DCADMM CCc1nc(N[C@@H]2CN(C(C)=O)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001578645951 1165076089 /nfs/dbraw/zinc/07/60/89/1165076089.db2.gz ZBFZCEPNTWGMKW-GZMMTYOYSA-N -1 1 316.369 0.498 20 0 DCADMM CCn1ccnc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001578794532 1165113931 /nfs/dbraw/zinc/11/39/31/1165113931.db2.gz IMNVHGNIHHOLCT-UHFFFAOYSA-N -1 1 323.338 0.155 20 0 DCADMM CCn1ncnc1Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001578831332 1165133780 /nfs/dbraw/zinc/13/37/80/1165133780.db2.gz OQSHSJRTIVKWCY-UHFFFAOYSA-N -1 1 322.336 0.785 20 0 DCADMM CN(C)C(=O)c1cccc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001578962808 1165171610 /nfs/dbraw/zinc/17/16/10/1165171610.db2.gz XXTHZPOZPUOQBO-UHFFFAOYSA-N -1 1 324.348 0.971 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)c1cc[nH]c1 ZINC001579224632 1165242005 /nfs/dbraw/zinc/24/20/05/1165242005.db2.gz ATLGMQSJNPNHOQ-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)c1cc[nH]c1 ZINC001579224632 1165242013 /nfs/dbraw/zinc/24/20/13/1165242013.db2.gz ATLGMQSJNPNHOQ-UHFFFAOYSA-N -1 1 313.325 0.169 20 0 DCADMM CNC(=O)CCN(C)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001579394180 1165298181 /nfs/dbraw/zinc/29/81/81/1165298181.db2.gz PFAPEFZDNAOLIM-UHFFFAOYSA-N -1 1 324.370 0.231 20 0 DCADMM CNC(=O)CCN(C)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001579394180 1165298186 /nfs/dbraw/zinc/29/81/86/1165298186.db2.gz PFAPEFZDNAOLIM-UHFFFAOYSA-N -1 1 324.370 0.231 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001579474932 1165324373 /nfs/dbraw/zinc/32/43/73/1165324373.db2.gz IOTIJSKZPMSIHF-YGRLFVJLSA-N -1 1 315.337 0.579 20 0 DCADMM COC(=O)[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001579474932 1165324376 /nfs/dbraw/zinc/32/43/76/1165324376.db2.gz IOTIJSKZPMSIHF-YGRLFVJLSA-N -1 1 315.337 0.579 20 0 DCADMM COC(=O)c1ccc(NCc2ccn(C)n2)c(-c2nnn[n-]2)n1 ZINC001579484817 1165328339 /nfs/dbraw/zinc/32/83/39/1165328339.db2.gz KVROVTGLEWFLGC-UHFFFAOYSA-N -1 1 314.309 0.394 20 0 DCADMM COC(=O)c1ccc(NCc2ccn(C)n2)c(-c2nn[n-]n2)n1 ZINC001579484817 1165328349 /nfs/dbraw/zinc/32/83/49/1165328349.db2.gz KVROVTGLEWFLGC-UHFFFAOYSA-N -1 1 314.309 0.394 20 0 DCADMM COC(=O)c1ccc(NCCn2cccc2)c(-c2nnn[n-]2)n1 ZINC001579484308 1165329411 /nfs/dbraw/zinc/32/94/11/1165329411.db2.gz AIDWDOGCZIHQKZ-UHFFFAOYSA-N -1 1 313.321 0.962 20 0 DCADMM COC(=O)c1ccc(NCCn2cccc2)c(-c2nn[n-]n2)n1 ZINC001579484308 1165329415 /nfs/dbraw/zinc/32/94/15/1165329415.db2.gz AIDWDOGCZIHQKZ-UHFFFAOYSA-N -1 1 313.321 0.962 20 0 DCADMM COC(=O)c1coc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001579491717 1165330887 /nfs/dbraw/zinc/33/08/87/1165330887.db2.gz OGZCLWXYBQMFIL-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM COC(=O)c1coc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001579491717 1165330890 /nfs/dbraw/zinc/33/08/90/1165330890.db2.gz OGZCLWXYBQMFIL-UHFFFAOYSA-N -1 1 314.261 0.894 20 0 DCADMM CO[C@@H]1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C[C@@H]1C ZINC001579617574 1165362400 /nfs/dbraw/zinc/36/24/00/1165362400.db2.gz FQIBRHQMZNZWFY-GZMMTYOYSA-N -1 1 320.353 0.589 20 0 DCADMM CO[C@@H]1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C[C@@H]1C ZINC001579617574 1165362405 /nfs/dbraw/zinc/36/24/05/1165362405.db2.gz FQIBRHQMZNZWFY-GZMMTYOYSA-N -1 1 320.353 0.589 20 0 DCADMM CO[C@H]1C[C@@H](N(C)C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001579869577 1165418401 /nfs/dbraw/zinc/41/84/01/1165418401.db2.gz CXOWROAZZIQDED-DTORHVGOSA-N -1 1 318.337 0.525 20 0 DCADMM COc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)on1 ZINC001579909811 1165431984 /nfs/dbraw/zinc/43/19/84/1165431984.db2.gz HPMHFHQVVBVATF-UHFFFAOYSA-N -1 1 301.266 0.188 20 0 DCADMM COc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)on1 ZINC001579909811 1165431994 /nfs/dbraw/zinc/43/19/94/1165431994.db2.gz HPMHFHQVVBVATF-UHFFFAOYSA-N -1 1 301.266 0.188 20 0 DCADMM COc1cc(CCC(=O)Nc2cccc(-c3nnn[n-]3)n2)on1 ZINC001579922595 1165438239 /nfs/dbraw/zinc/43/82/39/1165438239.db2.gz BJIYOJRYBIXROP-UHFFFAOYSA-N -1 1 315.293 0.830 20 0 DCADMM COc1cc(CCC(=O)Nc2cccc(-c3nn[n-]n3)n2)on1 ZINC001579922595 1165438247 /nfs/dbraw/zinc/43/82/47/1165438247.db2.gz BJIYOJRYBIXROP-UHFFFAOYSA-N -1 1 315.293 0.830 20 0 DCADMM COc1ncc(NC(=O)c2ccc[n+]([O-])c2)cc1-c1nn[n-]n1 ZINC001580139536 1165515917 /nfs/dbraw/zinc/51/59/17/1165515917.db2.gz CFCKYXVXSYCWPV-UHFFFAOYSA-N -1 1 313.277 0.156 20 0 DCADMM COc1ncc(NC(=O)NOC(C)(C)CO)cc1-c1nn[n-]n1 ZINC001580138515 1165516100 /nfs/dbraw/zinc/51/61/00/1165516100.db2.gz KBTWRDPHGVIZMG-UHFFFAOYSA-N -1 1 323.313 0.094 20 0 DCADMM C[S@](=O)[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001580171899 1165526189 /nfs/dbraw/zinc/52/61/89/1165526189.db2.gz BEDUFLUDRWTLPJ-FQOARCPFSA-N -1 1 320.378 0.291 20 0 DCADMM C[S@](=O)[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001580171899 1165526195 /nfs/dbraw/zinc/52/61/95/1165526195.db2.gz BEDUFLUDRWTLPJ-FQOARCPFSA-N -1 1 320.378 0.291 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C)CCC1 ZINC001580300485 1165563766 /nfs/dbraw/zinc/56/37/66/1165563766.db2.gz RWTNUDIOFTVEMR-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C)CCC1 ZINC001580300485 1165563773 /nfs/dbraw/zinc/56/37/73/1165563773.db2.gz RWTNUDIOFTVEMR-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@@H](C)C1=O ZINC001580326696 1165571619 /nfs/dbraw/zinc/57/16/19/1165571619.db2.gz QYBYZNJOORLGLL-NXEZZACHSA-N -1 1 314.349 0.488 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@@H](C)C1=O ZINC001580326696 1165571626 /nfs/dbraw/zinc/57/16/26/1165571626.db2.gz QYBYZNJOORLGLL-NXEZZACHSA-N -1 1 314.349 0.488 20 0 DCADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC(C)(C)C ZINC001580416452 1165597209 /nfs/dbraw/zinc/59/72/09/1165597209.db2.gz GIGSNSPPRVQIJC-SECBINFHSA-N -1 1 318.385 0.431 20 0 DCADMM O=C([C@H]1Cc2ccc(O)cc2N1)N1CCC(c2nn[n-]n2)CC1 ZINC001580487239 1165618346 /nfs/dbraw/zinc/61/83/46/1165618346.db2.gz RPAIPWRBKSQEGS-CYBMUJFWSA-N -1 1 314.349 0.648 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC001580597815 1165649536 /nfs/dbraw/zinc/64/95/36/1165649536.db2.gz OAQTVMMHTDENOF-XCBNKYQSSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCN(C)C(=O)C(C)(C)F)n1 ZINC001580740799 1165707068 /nfs/dbraw/zinc/70/70/68/1165707068.db2.gz BYGOXERXOBNJHL-UHFFFAOYSA-N -1 1 322.348 0.584 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCN(C)C(=O)C(C)(C)F)n1 ZINC001580740799 1165707074 /nfs/dbraw/zinc/70/70/74/1165707074.db2.gz BYGOXERXOBNJHL-UHFFFAOYSA-N -1 1 322.348 0.584 20 0 DCADMM Cc1cc(OCC(=O)NCc2nc(-c3nnn[n-]3)cs2)no1 ZINC001581042335 1165778539 /nfs/dbraw/zinc/77/85/39/1165778539.db2.gz BKSZFNYTDNIWOD-UHFFFAOYSA-N -1 1 321.322 0.315 20 0 DCADMM Cc1cc(OCC(=O)NCc2nc(-c3nn[n-]n3)cs2)no1 ZINC001581042335 1165778543 /nfs/dbraw/zinc/77/85/43/1165778543.db2.gz BKSZFNYTDNIWOD-UHFFFAOYSA-N -1 1 321.322 0.315 20 0 DCADMM Cc1cccc(Sc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)c1 ZINC001581247395 1165805205 /nfs/dbraw/zinc/80/52/05/1165805205.db2.gz BXYACRRLFMNABO-UHFFFAOYSA-N -1 1 316.346 0.713 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2Cc3c[nH]nc3C[C@@H](C)C2)n1 ZINC001581410936 1165823113 /nfs/dbraw/zinc/82/31/13/1165823113.db2.gz DUHGERVEVSTWSS-MRVPVSSYSA-N -1 1 311.353 0.887 20 0 DCADMM Cc1nc2ccccc2n1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001581532555 1165840685 /nfs/dbraw/zinc/84/06/85/1165840685.db2.gz MWAQFXVZXJNBJJ-UHFFFAOYSA-N -1 1 323.320 0.887 20 0 DCADMM Cc1nn(CC(=O)c2cscn2)c(=O)c(-c2nn[n-]n2)c1C ZINC001581604069 1165850581 /nfs/dbraw/zinc/85/05/81/1165850581.db2.gz UHOWSHSKJNDVRB-UHFFFAOYSA-N -1 1 317.334 0.380 20 0 DCADMM Cc1noc([C@@H]2OCC[C@@H]2Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001581637719 1165855351 /nfs/dbraw/zinc/85/53/51/1165855351.db2.gz VVOIRPRWONGMJE-OIBJUYFYSA-N -1 1 315.297 0.290 20 0 DCADMM Cc1noc([C@@H]2OCC[C@@H]2Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001581637719 1165855358 /nfs/dbraw/zinc/85/53/58/1165855358.db2.gz VVOIRPRWONGMJE-OIBJUYFYSA-N -1 1 315.297 0.290 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](C(N)=O)C(C)C)c1-c1nnn[n-]1 ZINC001581686916 1165859098 /nfs/dbraw/zinc/85/90/98/1165859098.db2.gz VDEPODKAPLYXTP-ZETCQYMHSA-N -1 1 324.370 0.263 20 0 DCADMM Cc1nsc(NC(=O)N[C@H](C(N)=O)C(C)C)c1-c1nn[n-]n1 ZINC001581686916 1165859105 /nfs/dbraw/zinc/85/91/05/1165859105.db2.gz VDEPODKAPLYXTP-ZETCQYMHSA-N -1 1 324.370 0.263 20 0 DCADMM Cc1onc(CC(=O)Nc2cc(CO)ccn2)c1-c1nnn[n-]1 ZINC001581738919 1165863938 /nfs/dbraw/zinc/86/39/38/1165863938.db2.gz AVCAXGCZZAJNGE-UHFFFAOYSA-N -1 1 315.293 0.232 20 0 DCADMM Cc1onc(CC(=O)Nc2cc(CO)ccn2)c1-c1nn[n-]n1 ZINC001581738919 1165863944 /nfs/dbraw/zinc/86/39/44/1165863944.db2.gz AVCAXGCZZAJNGE-UHFFFAOYSA-N -1 1 315.293 0.232 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(Cl)ccn2)n1 ZINC001581754802 1165870821 /nfs/dbraw/zinc/87/08/21/1165870821.db2.gz MSFBWBCCODIKJO-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(Cl)ccn2)n1 ZINC001581754802 1165870830 /nfs/dbraw/zinc/87/08/30/1165870830.db2.gz MSFBWBCCODIKJO-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1cc(Cl)c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001581774116 1165873163 /nfs/dbraw/zinc/87/31/63/1165873163.db2.gz ISAOMFCHOCCJMB-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1cc(Cl)c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001581774116 1165873173 /nfs/dbraw/zinc/87/31/73/1165873173.db2.gz ISAOMFCHOCCJMB-UHFFFAOYSA-N -1 1 304.701 0.901 20 0 DCADMM Cn1nncc1CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581850336 1165888327 /nfs/dbraw/zinc/88/83/27/1165888327.db2.gz ZGMSGQNHQUYRPR-UHFFFAOYSA-N -1 1 319.354 0.056 20 0 DCADMM NC(=O)CN(Cc1ccccc1)Cc1cccc(-c2nn[n-]n2)n1 ZINC001581894178 1165907243 /nfs/dbraw/zinc/90/72/43/1165907243.db2.gz CSDXLSPOYWAFOQ-UHFFFAOYSA-N -1 1 323.360 0.749 20 0 DCADMM NC(=O)c1ccc(CNC(=O)c2ccsc2-c2nnn[n-]2)o1 ZINC001581904570 1165907458 /nfs/dbraw/zinc/90/74/58/1165907458.db2.gz MOVOEEKTYNPMFZ-UHFFFAOYSA-N -1 1 318.318 0.550 20 0 DCADMM NC(=O)c1ccc(CNC(=O)c2ccsc2-c2nn[n-]n2)o1 ZINC001581904570 1165907466 /nfs/dbraw/zinc/90/74/66/1165907466.db2.gz MOVOEEKTYNPMFZ-UHFFFAOYSA-N -1 1 318.318 0.550 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1c[nH]nc1-c1ccncc1 ZINC001581909316 1165908337 /nfs/dbraw/zinc/90/83/37/1165908337.db2.gz YMRZIFHGXLKKRJ-UHFFFAOYSA-N -1 1 322.292 0.119 20 0 DCADMM NC(=O)c1csc(NC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001581905764 1165909677 /nfs/dbraw/zinc/90/96/77/1165909677.db2.gz ARBMSGHAULAMPG-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM NC(=O)c1csc(NC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001581905764 1165909688 /nfs/dbraw/zinc/90/96/88/1165909688.db2.gz ARBMSGHAULAMPG-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM O=C(CCn1cc(Cl)cn1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582084007 1165952381 /nfs/dbraw/zinc/95/23/81/1165952381.db2.gz DIUROHWZRWQNFJ-UHFFFAOYSA-N -1 1 307.705 0.469 20 0 DCADMM O=C(COCC(F)F)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582122223 1165961305 /nfs/dbraw/zinc/96/13/05/1165961305.db2.gz MIIWTAQLLKVGCX-UHFFFAOYSA-N -1 1 303.294 0.826 20 0 DCADMM O=C(N[C@H](CO)[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001582230664 1165986683 /nfs/dbraw/zinc/98/66/83/1165986683.db2.gz JFLHJPDYGGXJAY-DTWKUNHWSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(N[C@H](CO)[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001582230664 1165986689 /nfs/dbraw/zinc/98/66/89/1165986689.db2.gz JFLHJPDYGGXJAY-DTWKUNHWSA-N -1 1 323.378 0.446 20 0 DCADMM O=C(N[C@H](CO)c1ccccn1)c1ccc(-c2nnn[n-]2)s1 ZINC001582232643 1165988899 /nfs/dbraw/zinc/98/88/99/1165988899.db2.gz PRSCDOAJYIZHOO-SECBINFHSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@H](CO)c1ccccn1)c1ccc(-c2nn[n-]n2)s1 ZINC001582232643 1165988909 /nfs/dbraw/zinc/98/89/09/1165988909.db2.gz PRSCDOAJYIZHOO-SECBINFHSA-N -1 1 316.346 0.787 20 0 DCADMM O=C(N[C@@H]1Cc2cncn2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582338151 1166003372 /nfs/dbraw/zinc/00/33/72/1166003372.db2.gz YCDZTEKZHJYYEZ-MRVPVSSYSA-N -1 1 313.296 0.557 20 0 DCADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001582451367 1166021852 /nfs/dbraw/zinc/02/18/52/1166021852.db2.gz VDBROZGWCBYSHY-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001582451367 1166021858 /nfs/dbraw/zinc/02/18/58/1166021858.db2.gz VDBROZGWCBYSHY-JTQLQIEISA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CC1 ZINC001582515954 1166029398 /nfs/dbraw/zinc/02/93/98/1166029398.db2.gz YCDXQHKCQBHFAM-UHFFFAOYSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C1(n2cccn2)CC1 ZINC001582548391 1166038373 /nfs/dbraw/zinc/03/83/73/1166038373.db2.gz QJFJNJISVCJVCI-UHFFFAOYSA-N -1 1 315.362 0.930 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@]12CCC[C@H]1OCC2 ZINC001582559669 1166045092 /nfs/dbraw/zinc/04/50/92/1166045092.db2.gz YYDHHDKDPVRRHF-RNCFNFMXSA-N -1 1 320.378 0.899 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@]12CCC[C@H]1OCC2 ZINC001582559669 1166045096 /nfs/dbraw/zinc/04/50/96/1166045096.db2.gz YYDHHDKDPVRRHF-RNCFNFMXSA-N -1 1 320.378 0.899 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCc2nccnc2C1 ZINC001582644714 1166057883 /nfs/dbraw/zinc/05/78/83/1166057883.db2.gz DPTHUEDWJVPUEG-UHFFFAOYSA-N -1 1 323.320 0.642 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCc2nccnc2C1 ZINC001582644714 1166057890 /nfs/dbraw/zinc/05/78/90/1166057890.db2.gz DPTHUEDWJVPUEG-UHFFFAOYSA-N -1 1 323.320 0.642 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccn(CC(F)F)n1 ZINC001582644440 1166059542 /nfs/dbraw/zinc/05/95/42/1166059542.db2.gz GDYICPUPVQYWSC-UHFFFAOYSA-N -1 1 320.263 0.976 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccn(CC(F)F)n1 ZINC001582644440 1166059549 /nfs/dbraw/zinc/05/95/49/1166059549.db2.gz GDYICPUPVQYWSC-UHFFFAOYSA-N -1 1 320.263 0.976 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1scc2c1OCCO2 ZINC001582650586 1166061683 /nfs/dbraw/zinc/06/16/83/1166061683.db2.gz WGCKEDWKYJGDAX-UHFFFAOYSA-N -1 1 319.306 0.675 20 0 DCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1COCCO1 ZINC001582654067 1166062202 /nfs/dbraw/zinc/06/22/02/1166062202.db2.gz XMSVNXWUZXHSTM-SCSAIBSYSA-N -1 1 316.730 0.331 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2ncncc2C1 ZINC001582700860 1166068005 /nfs/dbraw/zinc/06/80/05/1166068005.db2.gz BHGRQZJKWPLJJG-UHFFFAOYSA-N -1 1 308.305 0.250 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2ncncc2C1 ZINC001582700860 1166068011 /nfs/dbraw/zinc/06/80/11/1166068011.db2.gz BHGRQZJKWPLJJG-UHFFFAOYSA-N -1 1 308.305 0.250 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H](c2ncon2)C1 ZINC001582701212 1166069578 /nfs/dbraw/zinc/06/95/78/1166069578.db2.gz ISCUNPKVEINDHM-SSDOTTSWSA-N -1 1 317.334 0.941 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H](c2ncon2)C1 ZINC001582701212 1166069581 /nfs/dbraw/zinc/06/95/81/1166069581.db2.gz ISCUNPKVEINDHM-SSDOTTSWSA-N -1 1 317.334 0.941 20 0 DCADMM O=C1[C@H](NCc2nc(-c3nn[n-]n3)cs2)C[C@H]2CCCCN12 ZINC001582755712 1166076217 /nfs/dbraw/zinc/07/62/17/1166076217.db2.gz DCVDNXMKTUJHJQ-RKDXNWHRSA-N -1 1 319.394 0.566 20 0 DCADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccccc1F ZINC001582809103 1166088890 /nfs/dbraw/zinc/08/88/90/1166088890.db2.gz GXSNAFJNDABSHM-SNVBAGLBSA-N -1 1 315.312 0.811 20 0 DCADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccccc1F ZINC001582809103 1166088899 /nfs/dbraw/zinc/08/88/99/1166088899.db2.gz GXSNAFJNDABSHM-SNVBAGLBSA-N -1 1 315.312 0.811 20 0 DCADMM c1nc(-c2nn[n-]n2)ncc1OC[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001582820425 1166098472 /nfs/dbraw/zinc/09/84/72/1166098472.db2.gz DAUDVODIHJLPRY-IINYFYTJSA-N -1 1 318.337 0.764 20 0 DCADMM O=C(CCc1cncnc1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001586100511 1166478078 /nfs/dbraw/zinc/47/80/78/1166478078.db2.gz ZLHKTRLSMOVHOW-AWEZNQCLSA-N -1 1 309.333 0.828 20 0 DCADMM CN(C(=O)c1cn(-c2cccc(Cl)c2)nn1)c1nn[n-]n1 ZINC001586262222 1166490104 /nfs/dbraw/zinc/49/01/04/1166490104.db2.gz JCEBONPPGQGDHE-UHFFFAOYSA-N -1 1 304.701 0.710 20 0 DCADMM C=CC(=O)N(C)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001588466607 1166556915 /nfs/dbraw/zinc/55/69/15/1166556915.db2.gz CRTBLHDCCGCLEI-UHFFFAOYSA-N -1 1 302.294 0.155 20 0 DCADMM CC(=O)C1(NS(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001588787850 1166590848 /nfs/dbraw/zinc/59/08/48/1166590848.db2.gz ZZVKRQCQYPRAAJ-UHFFFAOYSA-N -1 1 313.364 0.328 20 0 DCADMM CC(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588809691 1166594850 /nfs/dbraw/zinc/59/48/50/1166594850.db2.gz KHJRGAAHKIWSIS-UHFFFAOYSA-N -1 1 315.337 0.459 20 0 DCADMM CC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588809691 1166594855 /nfs/dbraw/zinc/59/48/55/1166594855.db2.gz KHJRGAAHKIWSIS-UHFFFAOYSA-N -1 1 315.337 0.459 20 0 DCADMM CC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001588811064 1166595399 /nfs/dbraw/zinc/59/53/99/1166595399.db2.gz XRYCSDBGMHRYJG-VIFPVBQESA-N -1 1 320.378 0.526 20 0 DCADMM CC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001588811064 1166595406 /nfs/dbraw/zinc/59/54/06/1166595406.db2.gz XRYCSDBGMHRYJG-VIFPVBQESA-N -1 1 320.378 0.526 20 0 DCADMM CC(=O)N[C@H](C)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588835385 1166603185 /nfs/dbraw/zinc/60/31/85/1166603185.db2.gz IMVTWSYQJQUFAI-ZCFIWIBFSA-N -1 1 324.291 0.286 20 0 DCADMM CC(=O)N[C@H](C)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588835385 1166603189 /nfs/dbraw/zinc/60/31/89/1166603189.db2.gz IMVTWSYQJQUFAI-ZCFIWIBFSA-N -1 1 324.291 0.286 20 0 DCADMM CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588841759 1166605919 /nfs/dbraw/zinc/60/59/19/1166605919.db2.gz PYCNJPSNSLJGMG-WPRPVWTQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588841759 1166605924 /nfs/dbraw/zinc/60/59/24/1166605924.db2.gz PYCNJPSNSLJGMG-WPRPVWTQSA-N -1 1 302.342 0.150 20 0 DCADMM CC(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588864419 1166611382 /nfs/dbraw/zinc/61/13/82/1166611382.db2.gz AUVJBCRMVGZWCF-VHSXEESVSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588864419 1166611386 /nfs/dbraw/zinc/61/13/86/1166611386.db2.gz AUVJBCRMVGZWCF-VHSXEESVSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)NCCCOC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001588862818 1166611960 /nfs/dbraw/zinc/61/19/60/1166611960.db2.gz YUTRAIKREIUIBL-UHFFFAOYSA-N -1 1 307.285 0.689 20 0 DCADMM CC(=O)NCCCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001588862818 1166611965 /nfs/dbraw/zinc/61/19/65/1166611965.db2.gz YUTRAIKREIUIBL-UHFFFAOYSA-N -1 1 307.285 0.689 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589006225 1166626441 /nfs/dbraw/zinc/62/64/41/1166626441.db2.gz DIYPGCRNAJCHSR-UJNFCWOMSA-N -1 1 302.342 0.324 20 0 DCADMM C[C@@H](C(=O)NCC[C@H]1CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588985024 1166627692 /nfs/dbraw/zinc/62/76/92/1166627692.db2.gz HDRFAMYIEIUGCO-BQBZGAKWSA-N -1 1 312.284 0.181 20 0 DCADMM C[C@@H](C(=O)Nc1ccnc(F)c1F)n1cnc(-c2nn[n-]n2)n1 ZINC001589022393 1166628566 /nfs/dbraw/zinc/62/85/66/1166628566.db2.gz YCXDOYUGAMFVLI-YFKPBYRVSA-N -1 1 321.251 0.331 20 0 DCADMM C[C@@H](C(=O)OCC[C@H]1CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001589025949 1166629570 /nfs/dbraw/zinc/62/95/70/1166629570.db2.gz GXTNJJISPMCUNZ-BQBZGAKWSA-N -1 1 313.268 0.608 20 0 DCADMM C[C@@H](C(=O)OCC[C@@H]1CCCCO1)n1cnc(-c2nn[n-]n2)n1 ZINC001589027935 1166630868 /nfs/dbraw/zinc/63/08/68/1166630868.db2.gz RGTUSADBNMTPRG-UWVGGRQHSA-N -1 1 321.341 0.522 20 0 DCADMM CC(C)(C(=O)NCCNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001589049669 1166633660 /nfs/dbraw/zinc/63/36/60/1166633660.db2.gz CLBWRHYSAXZNTJ-UHFFFAOYSA-N -1 1 316.369 0.043 20 0 DCADMM CC(C)(C)[C@@H](CO)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589092208 1166635399 /nfs/dbraw/zinc/63/53/99/1166635399.db2.gz DBZULMKZVYIYBH-SECBINFHSA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)(C)[C@@H](CO)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589092208 1166635405 /nfs/dbraw/zinc/63/54/05/1166635405.db2.gz DBZULMKZVYIYBH-SECBINFHSA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)(C)C[C@H](O)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589118972 1166635812 /nfs/dbraw/zinc/63/58/12/1166635812.db2.gz LAFWCRUDJYIYOL-VIFPVBQESA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(C)C[C@H](O)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589118972 1166635814 /nfs/dbraw/zinc/63/58/14/1166635814.db2.gz LAFWCRUDJYIYOL-VIFPVBQESA-N -1 1 304.354 0.789 20 0 DCADMM CC(C)(C)OC(=O)CCCn1cncc(-c2nn[n-]n2)c1=O ZINC001589151557 1166637915 /nfs/dbraw/zinc/63/79/15/1166637915.db2.gz GQZRROWLVDMHBG-UHFFFAOYSA-N -1 1 306.326 0.545 20 0 DCADMM CC(C)(C)NC(=O)[C@@H]1CCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001589139033 1166638805 /nfs/dbraw/zinc/63/88/05/1166638805.db2.gz ICKJJQPURWEMFY-JTQLQIEISA-N -1 1 316.369 0.540 20 0 DCADMM CC(C)(C)NC(=O)[C@@H]1CCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001589139033 1166638810 /nfs/dbraw/zinc/63/88/10/1166638810.db2.gz ICKJJQPURWEMFY-JTQLQIEISA-N -1 1 316.369 0.540 20 0 DCADMM CC(C)(CCNc1ncncc1-c1nn[n-]n1)S(C)(=O)=O ZINC001589275925 1166642225 /nfs/dbraw/zinc/64/22/25/1166642225.db2.gz NRTZPHRYTIUSLF-UHFFFAOYSA-N -1 1 311.371 0.282 20 0 DCADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)n1)C(=O)N1CCCC1 ZINC001589292744 1166645080 /nfs/dbraw/zinc/64/50/80/1166645080.db2.gz JIWVMCLPPPCAPQ-UHFFFAOYSA-N -1 1 316.369 0.139 20 0 DCADMM CC(C)(NC(=O)c1csc(-c2nn[n-]n2)c1)c1ncon1 ZINC001589322130 1166647671 /nfs/dbraw/zinc/64/76/71/1166647671.db2.gz RCSBPZMLJLGSKH-UHFFFAOYSA-N -1 1 305.323 0.976 20 0 DCADMM CC(C)=CC(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001589354113 1166652334 /nfs/dbraw/zinc/65/23/34/1166652334.db2.gz GOBCZGWBDVEXBG-SNVBAGLBSA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)=CC(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001589354113 1166652340 /nfs/dbraw/zinc/65/23/40/1166652340.db2.gz GOBCZGWBDVEXBG-SNVBAGLBSA-N -1 1 316.369 0.882 20 0 DCADMM CC(C)C(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589401601 1166653626 /nfs/dbraw/zinc/65/36/26/1166653626.db2.gz RODIAHSWLCCSON-IUCAKERBSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589401601 1166653636 /nfs/dbraw/zinc/65/36/36/1166653636.db2.gz RODIAHSWLCCSON-IUCAKERBSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001589405073 1166657385 /nfs/dbraw/zinc/65/73/85/1166657385.db2.gz WVJJLNRINDKLSO-SECBINFHSA-N -1 1 304.358 0.254 20 0 DCADMM CC(C)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001589405073 1166657386 /nfs/dbraw/zinc/65/73/86/1166657386.db2.gz WVJJLNRINDKLSO-SECBINFHSA-N -1 1 304.358 0.254 20 0 DCADMM CC(C)[C@@H](CO)ONC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589459311 1166659860 /nfs/dbraw/zinc/65/98/60/1166659860.db2.gz AJHVEVARQXSLKT-SNVBAGLBSA-N -1 1 309.301 0.684 20 0 DCADMM CC(C)[C@@H](CO)ONC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589459311 1166659866 /nfs/dbraw/zinc/65/98/66/1166659866.db2.gz AJHVEVARQXSLKT-SNVBAGLBSA-N -1 1 309.301 0.684 20 0 DCADMM CC(C)[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1nncn1C ZINC001589475740 1166660798 /nfs/dbraw/zinc/66/07/98/1166660798.db2.gz JQOWJAZOUZROOQ-SNVBAGLBSA-N -1 1 300.330 0.594 20 0 DCADMM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1nncn1C ZINC001589475740 1166660805 /nfs/dbraw/zinc/66/08/05/1166660805.db2.gz JQOWJAZOUZROOQ-SNVBAGLBSA-N -1 1 300.330 0.594 20 0 DCADMM CC(C)C[C@@]1(C)CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001589565426 1166666790 /nfs/dbraw/zinc/66/67/90/1166666790.db2.gz BVSGZORXJPLUNN-CQSZACIVSA-N -1 1 318.385 0.885 20 0 DCADMM CC(C)CN1CCN(c2cccc(-c3nnn[n-]3)n2)[C@@H](C)C1=O ZINC001589629973 1166668953 /nfs/dbraw/zinc/66/89/53/1166668953.db2.gz LNHGIDUWVVVVGB-NSHDSACASA-N -1 1 315.381 0.955 20 0 DCADMM CC(C)CN1CCN(c2cccc(-c3nn[n-]n3)n2)[C@@H](C)C1=O ZINC001589629973 1166668958 /nfs/dbraw/zinc/66/89/58/1166668958.db2.gz LNHGIDUWVVVVGB-NSHDSACASA-N -1 1 315.381 0.955 20 0 DCADMM CC(C)N(C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589673396 1166670573 /nfs/dbraw/zinc/67/05/73/1166670573.db2.gz ZIZFKHBFPKEVCP-UHFFFAOYSA-N -1 1 312.337 0.900 20 0 DCADMM CC(C)O[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001589738594 1166681754 /nfs/dbraw/zinc/68/17/54/1166681754.db2.gz YKFSAPSQITWDIO-ZDUSSCGKSA-N -1 1 305.342 0.653 20 0 DCADMM CC(C)O[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001589738594 1166681757 /nfs/dbraw/zinc/68/17/57/1166681757.db2.gz YKFSAPSQITWDIO-ZDUSSCGKSA-N -1 1 305.342 0.653 20 0 DCADMM CC(C)n1cnnc1CN(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001589785278 1166685709 /nfs/dbraw/zinc/68/57/09/1166685709.db2.gz XIPCOHFPRNGVAF-UHFFFAOYSA-N -1 1 300.330 0.466 20 0 DCADMM CC(C)n1cnnc1CN(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001589785278 1166685713 /nfs/dbraw/zinc/68/57/13/1166685713.db2.gz XIPCOHFPRNGVAF-UHFFFAOYSA-N -1 1 300.330 0.466 20 0 DCADMM CC(C)C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001589833143 1166694814 /nfs/dbraw/zinc/69/48/14/1166694814.db2.gz OVRAZJIIVQOIBT-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM CC(C)C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001589833143 1166694817 /nfs/dbraw/zinc/69/48/17/1166694817.db2.gz OVRAZJIIVQOIBT-SECBINFHSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H](CN1CCOCC1)OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589847117 1166698197 /nfs/dbraw/zinc/69/81/97/1166698197.db2.gz BPUKLDNSVNNBIJ-VIFPVBQESA-N -1 1 307.310 0.337 20 0 DCADMM C[C@@H](CN1CCOCC1)OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589847117 1166698199 /nfs/dbraw/zinc/69/81/99/1166698199.db2.gz BPUKLDNSVNNBIJ-VIFPVBQESA-N -1 1 307.310 0.337 20 0 DCADMM C[C@@H](CNC(=O)C1CC=CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589853149 1166699569 /nfs/dbraw/zinc/69/95/69/1166699569.db2.gz NQEJKLZJJPIABN-VIFPVBQESA-N -1 1 314.353 0.540 20 0 DCADMM C[C@@H](CNC(=O)C1CC=CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589853149 1166699571 /nfs/dbraw/zinc/69/95/71/1166699571.db2.gz NQEJKLZJJPIABN-VIFPVBQESA-N -1 1 314.353 0.540 20 0 DCADMM C[C@H](CO)N(CC1CCC1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589881914 1166705106 /nfs/dbraw/zinc/70/51/06/1166705106.db2.gz GQKCIZHUAAWFIK-SNVBAGLBSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@H](CO)N(CC1CCC1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589881914 1166705110 /nfs/dbraw/zinc/70/51/10/1166705110.db2.gz GQKCIZHUAAWFIK-SNVBAGLBSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1(CO)CC1 ZINC001589936932 1166723309 /nfs/dbraw/zinc/72/33/09/1166723309.db2.gz RTKWSCBRCHWFNI-MRVPVSSYSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1(CO)CC1 ZINC001589936932 1166723310 /nfs/dbraw/zinc/72/33/10/1166723310.db2.gz RTKWSCBRCHWFNI-MRVPVSSYSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@@H](NC(=O)Cn1cnnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001589927265 1166723766 /nfs/dbraw/zinc/72/37/66/1166723766.db2.gz GLHFITZRSMWMQP-MRVPVSSYSA-N -1 1 316.300 0.475 20 0 DCADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H](O)Cc1ccccc1 ZINC001589986069 1166734322 /nfs/dbraw/zinc/73/43/22/1166734322.db2.gz WECFOASQNBEVFU-JQWIXIFHSA-N -1 1 311.349 0.483 20 0 DCADMM C[C@@H](O)[C@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589997230 1166742109 /nfs/dbraw/zinc/74/21/09/1166742109.db2.gz VRKRJCRLZAMDEO-PWSUYJOCSA-N -1 1 316.365 0.424 20 0 DCADMM C[C@@H](O)[C@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589997230 1166742118 /nfs/dbraw/zinc/74/21/18/1166742118.db2.gz VRKRJCRLZAMDEO-PWSUYJOCSA-N -1 1 316.365 0.424 20 0 DCADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ncnn1C ZINC001590016142 1166754392 /nfs/dbraw/zinc/75/43/92/1166754392.db2.gz QOFWKEQMXRXJQK-LURJTMIESA-N -1 1 305.323 0.975 20 0 DCADMM CC1(C)C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CO1 ZINC001590083987 1166770527 /nfs/dbraw/zinc/77/05/27/1166770527.db2.gz RCOWGJYQBKFLAK-MRVPVSSYSA-N -1 1 324.366 0.108 20 0 DCADMM CC1(C)C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CO1 ZINC001590083987 1166770533 /nfs/dbraw/zinc/77/05/33/1166770533.db2.gz RCOWGJYQBKFLAK-MRVPVSSYSA-N -1 1 324.366 0.108 20 0 DCADMM CC1(C)CCCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590097208 1166771313 /nfs/dbraw/zinc/77/13/13/1166771313.db2.gz RDUOBPJIKGSVPE-UHFFFAOYSA-N -1 1 305.346 0.042 20 0 DCADMM CC1(C)CN(c2ccnc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC001590107835 1166776069 /nfs/dbraw/zinc/77/60/69/1166776069.db2.gz ABGCZFUJIHMGQK-UHFFFAOYSA-N -1 1 308.367 0.275 20 0 DCADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC001590107835 1166776076 /nfs/dbraw/zinc/77/60/76/1166776076.db2.gz ABGCZFUJIHMGQK-UHFFFAOYSA-N -1 1 308.367 0.275 20 0 DCADMM CC1(C)OCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CO1 ZINC001590115313 1166778750 /nfs/dbraw/zinc/77/87/50/1166778750.db2.gz PVORPZBZTKPHHI-UHFFFAOYSA-N -1 1 309.351 0.810 20 0 DCADMM CC1(C)OCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CO1 ZINC001590115313 1166778753 /nfs/dbraw/zinc/77/87/53/1166778753.db2.gz PVORPZBZTKPHHI-UHFFFAOYSA-N -1 1 309.351 0.810 20 0 DCADMM C[C@]1(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCOC1=O ZINC001590145014 1166786924 /nfs/dbraw/zinc/78/69/24/1166786924.db2.gz MGYSBYNTYPJSAS-LBPRGKRZSA-N -1 1 303.282 0.089 20 0 DCADMM C[C@]1(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCOC1=O ZINC001590145014 1166786929 /nfs/dbraw/zinc/78/69/29/1166786929.db2.gz MGYSBYNTYPJSAS-LBPRGKRZSA-N -1 1 303.282 0.089 20 0 DCADMM C[C@@]1(O)CCN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590150152 1166789213 /nfs/dbraw/zinc/78/92/13/1166789213.db2.gz KQYYTSKQMPJZOB-SNVBAGLBSA-N -1 1 315.380 0.074 20 0 DCADMM C[C@]1(O)CCN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001590150192 1166791511 /nfs/dbraw/zinc/79/15/11/1166791511.db2.gz MLQINHGAOCCBJP-ZDUSSCGKSA-N -1 1 309.276 0.742 20 0 DCADMM C[C@]1(O)CCN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001590150192 1166791518 /nfs/dbraw/zinc/79/15/18/1166791518.db2.gz MLQINHGAOCCBJP-ZDUSSCGKSA-N -1 1 309.276 0.742 20 0 DCADMM CC1=C[C@@H](C)CN(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590157051 1166792960 /nfs/dbraw/zinc/79/29/60/1166792960.db2.gz LCCBMWOEZBJQJS-SECBINFHSA-N -1 1 317.357 0.066 20 0 DCADMM C[C@H]1[C@H](CO)CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590166699 1166794417 /nfs/dbraw/zinc/79/44/17/1166794417.db2.gz GLZQGFSROFLFSV-UWVGGRQHSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@H]1[C@H](CO)CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590166699 1166794426 /nfs/dbraw/zinc/79/44/26/1166794426.db2.gz GLZQGFSROFLFSV-UWVGGRQHSA-N -1 1 302.338 0.495 20 0 DCADMM C[C@@H]1C(=O)N(C)CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001590164979 1166796356 /nfs/dbraw/zinc/79/63/56/1166796356.db2.gz WFOBNMLSTZIATA-RXMQYKEDSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@@H]1C(=O)N(C)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001590164979 1166796358 /nfs/dbraw/zinc/79/63/58/1166796358.db2.gz WFOBNMLSTZIATA-RXMQYKEDSA-N -1 1 313.774 0.644 20 0 DCADMM C[C@H]1[C@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)CC(=O)N1C ZINC001590181235 1166800954 /nfs/dbraw/zinc/80/09/54/1166800954.db2.gz MYKNSGDKFNRBGA-OIBJUYFYSA-N -1 1 302.294 0.038 20 0 DCADMM C[C@H]1[C@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)CC(=O)N1C ZINC001590181235 1166800961 /nfs/dbraw/zinc/80/09/61/1166800961.db2.gz MYKNSGDKFNRBGA-OIBJUYFYSA-N -1 1 302.294 0.038 20 0 DCADMM C[C@H]1C[C@H](CO)CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001590194702 1166805875 /nfs/dbraw/zinc/80/58/75/1166805875.db2.gz YCLIBUKSFUAANE-UWVGGRQHSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@H]1C[C@H](CO)CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001590194702 1166805884 /nfs/dbraw/zinc/80/58/84/1166805884.db2.gz YCLIBUKSFUAANE-UWVGGRQHSA-N -1 1 315.381 0.989 20 0 DCADMM C[C@@H]1C[C@H](C)N1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590192689 1166807728 /nfs/dbraw/zinc/80/77/28/1166807728.db2.gz WNZKLZNLKDWOQS-OCAPTIKFSA-N -1 1 301.310 0.210 20 0 DCADMM C[C@@H]1C[C@H](C)N1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590192689 1166807734 /nfs/dbraw/zinc/80/77/34/1166807734.db2.gz WNZKLZNLKDWOQS-OCAPTIKFSA-N -1 1 301.310 0.210 20 0 DCADMM C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001590246113 1166827156 /nfs/dbraw/zinc/82/71/56/1166827156.db2.gz BNYFLLOGVDBUGG-IUCAKERBSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001590291986 1166842748 /nfs/dbraw/zinc/84/27/48/1166842748.db2.gz UBZHYCAUPVNQRK-VIFPVBQESA-N -1 1 304.358 0.353 20 0 DCADMM C[C@@H]1CN(CCNC(=O)c2coc(-c3nnn[n-]3)c2)[C@H](C)CO1 ZINC001590304738 1166852732 /nfs/dbraw/zinc/85/27/32/1166852732.db2.gz OYRQIUWHRKYDMF-NXEZZACHSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@@H]1CN(CCNC(=O)c2coc(-c3nn[n-]n3)c2)[C@H](C)CO1 ZINC001590304738 1166852735 /nfs/dbraw/zinc/85/27/35/1166852735.db2.gz OYRQIUWHRKYDMF-NXEZZACHSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@]2(CCCOC2)O1 ZINC001590315149 1166861240 /nfs/dbraw/zinc/86/12/40/1166861240.db2.gz FQNXPUPUDCFOJT-IINYFYTJSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@@]2(CCCOC2)O1 ZINC001590315149 1166861247 /nfs/dbraw/zinc/86/12/47/1166861247.db2.gz FQNXPUPUDCFOJT-IINYFYTJSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CO[C@H](CO)CN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590320823 1166862187 /nfs/dbraw/zinc/86/21/87/1166862187.db2.gz AEUZYFBGUORPHU-RITPCOANSA-N -1 1 316.774 0.563 20 0 DCADMM C[C@H](C(=O)N1CCCSC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590329765 1166868477 /nfs/dbraw/zinc/86/84/77/1166868477.db2.gz QYBRENQTQUKGSU-RKDXNWHRSA-N -1 1 322.398 0.373 20 0 DCADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590333383 1166871022 /nfs/dbraw/zinc/87/10/22/1166871022.db2.gz DAYPRCPRDDUREQ-IBCQBUCCSA-N -1 1 305.342 0.598 20 0 DCADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590333383 1166871025 /nfs/dbraw/zinc/87/10/25/1166871025.db2.gz DAYPRCPRDDUREQ-IBCQBUCCSA-N -1 1 305.342 0.598 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001590349195 1166879892 /nfs/dbraw/zinc/87/98/92/1166879892.db2.gz JHUWFZBRIFNKFP-SGDMMICCSA-N -1 1 302.342 0.540 20 0 DCADMM C/C=C(\C)C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001590349195 1166879905 /nfs/dbraw/zinc/87/99/05/1166879905.db2.gz JHUWFZBRIFNKFP-SGDMMICCSA-N -1 1 302.342 0.540 20 0 DCADMM CCC(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001590360030 1166884884 /nfs/dbraw/zinc/88/48/84/1166884884.db2.gz QGAQZKMCFCVAEI-UHFFFAOYSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001590360030 1166884889 /nfs/dbraw/zinc/88/48/89/1166884889.db2.gz QGAQZKMCFCVAEI-UHFFFAOYSA-N -1 1 302.342 0.468 20 0 DCADMM CCC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590365385 1166890094 /nfs/dbraw/zinc/89/00/94/1166890094.db2.gz IWVFJFVSOLEWPP-DTORHVGOSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590365385 1166890101 /nfs/dbraw/zinc/89/01/01/1166890101.db2.gz IWVFJFVSOLEWPP-DTORHVGOSA-N -1 1 302.342 0.373 20 0 DCADMM CC/C(C)=C/C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001590388711 1166894995 /nfs/dbraw/zinc/89/49/95/1166894995.db2.gz LTMJTARVGCNRHP-TTZKWOQHSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C(C)=C/C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001590388711 1166895003 /nfs/dbraw/zinc/89/50/03/1166895003.db2.gz LTMJTARVGCNRHP-TTZKWOQHSA-N -1 1 316.369 0.930 20 0 DCADMM CC/C(C)=C\C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590395425 1166898240 /nfs/dbraw/zinc/89/82/40/1166898240.db2.gz ZMNLCRIZPHAVKR-RNKPRXRFSA-N -1 1 316.369 0.352 20 0 DCADMM CC[C@@H](C)C[C@@H](CO)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590406721 1166900804 /nfs/dbraw/zinc/90/08/04/1166900804.db2.gz RDIBLILCDBFELI-PWSUYJOCSA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@@H](C)C[C@@H](CO)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590406721 1166900807 /nfs/dbraw/zinc/90/08/07/1166900807.db2.gz RDIBLILCDBFELI-PWSUYJOCSA-N -1 1 318.381 0.718 20 0 DCADMM CC[C@@H](C)n1ncc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1C ZINC001590418562 1166904062 /nfs/dbraw/zinc/90/40/62/1166904062.db2.gz QVDXCULKXYKICW-SSDOTTSWSA-N -1 1 315.341 0.810 20 0 DCADMM CC[C@H](CCO)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590440199 1166906756 /nfs/dbraw/zinc/90/67/56/1166906756.db2.gz XOCJLJKZYZFFNU-SECBINFHSA-N -1 1 305.342 0.792 20 0 DCADMM CC[C@H](CCO)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590440199 1166906760 /nfs/dbraw/zinc/90/67/60/1166906760.db2.gz XOCJLJKZYZFFNU-SECBINFHSA-N -1 1 305.342 0.792 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590452835 1166910203 /nfs/dbraw/zinc/91/02/03/1166910203.db2.gz NDSGZUMHECHPNL-BDAKNGLRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@H](F)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590452835 1166910209 /nfs/dbraw/zinc/91/02/09/1166910209.db2.gz NDSGZUMHECHPNL-BDAKNGLRSA-N -1 1 320.332 0.418 20 0 DCADMM CC[C@@H](F)C(=O)NCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001590455415 1166912308 /nfs/dbraw/zinc/91/23/08/1166912308.db2.gz ABNXSKABLXADDL-MRVPVSSYSA-N -1 1 308.321 0.323 20 0 DCADMM CC[C@@H](F)C(=O)NCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001590455415 1166912317 /nfs/dbraw/zinc/91/23/17/1166912317.db2.gz ABNXSKABLXADDL-MRVPVSSYSA-N -1 1 308.321 0.323 20 0 DCADMM CC[C@]1(C)CN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CCO1 ZINC001590490365 1166923127 /nfs/dbraw/zinc/92/31/27/1166923127.db2.gz LDKYHAAFEKOLQI-TVQRCGJNSA-N -1 1 320.357 0.047 20 0 DCADMM CCC1(C(=O)NCCNc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001590488314 1166923321 /nfs/dbraw/zinc/92/33/21/1166923321.db2.gz RFUZCVXMEJOLBT-UHFFFAOYSA-N -1 1 316.369 0.187 20 0 DCADMM CC[C@@H]1CN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CCCO1 ZINC001590516960 1166932087 /nfs/dbraw/zinc/93/20/87/1166932087.db2.gz LJEPBWLXGBSZNR-NXEZZACHSA-N -1 1 320.357 0.047 20 0 DCADMM CC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@]2(CCOC2)O1 ZINC001590521553 1166933149 /nfs/dbraw/zinc/93/31/49/1166933149.db2.gz BMEQTJMYOBJLJA-HZMBPMFUSA-N -1 1 317.353 0.431 20 0 DCADMM CC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@]2(CCOC2)O1 ZINC001590521553 1166933155 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CCc1nc(NC[C@H](CO)[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001590917298 1167050942 /nfs/dbraw/zinc/05/09/42/1167050942.db2.gz KTRQKXSRITWPHA-NXEZZACHSA-N -1 1 319.369 0.276 20 0 DCADMM CCc1nc(NC[C@H]2COC(C)(C)O2)cc(-c2nnn[n-]2)n1 ZINC001590919471 1167051195 /nfs/dbraw/zinc/05/11/95/1167051195.db2.gz QSBYJLLYXGDGBN-QMMMGPOBSA-N -1 1 305.342 0.783 20 0 DCADMM CCc1nc(NC[C@H]2COC(C)(C)O2)cc(-c2nn[n-]n2)n1 ZINC001590919471 1167051199 /nfs/dbraw/zinc/05/11/99/1167051199.db2.gz QSBYJLLYXGDGBN-QMMMGPOBSA-N -1 1 305.342 0.783 20 0 DCADMM CCc1nn(C2CC(OC)C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929344 1167053126 /nfs/dbraw/zinc/05/31/26/1167053126.db2.gz JEBSWUGTZPHZFF-UHFFFAOYSA-N -1 1 304.354 0.898 20 0 DCADMM CCc1nn(C[C@@H](O)CSC)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929439 1167054309 /nfs/dbraw/zinc/05/43/09/1167054309.db2.gz QTCXEZFBZISGST-MRVPVSSYSA-N -1 1 324.410 0.272 20 0 DCADMM CCn1cc([C@H](C)OC(=O)c2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001590952107 1167055939 /nfs/dbraw/zinc/05/59/39/1167055939.db2.gz 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ASBXRSFVIBNGCF-VXNVDRBHSA-N -1 1 310.383 0.872 20 0 DCADMM COC[C@@H]1COCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591394940 1167263526 /nfs/dbraw/zinc/26/35/26/1167263526.db2.gz GMNDSKIFXUUFSA-SECBINFHSA-N -1 1 319.325 0.141 20 0 DCADMM COC[C@@H]1COCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591394940 1167263530 /nfs/dbraw/zinc/26/35/30/1167263530.db2.gz GMNDSKIFXUUFSA-SECBINFHSA-N -1 1 319.325 0.141 20 0 DCADMM COC[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCO1 ZINC001591395954 1167265924 /nfs/dbraw/zinc/26/59/24/1167265924.db2.gz OAGPMGWVQXCBOP-ZCFIWIBFSA-N -1 1 316.774 0.828 20 0 DCADMM COC[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001591395954 1167265930 /nfs/dbraw/zinc/26/59/30/1167265930.db2.gz OAGPMGWVQXCBOP-ZCFIWIBFSA-N -1 1 316.774 0.828 20 0 DCADMM COCCCOCCN(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591417014 1167274500 /nfs/dbraw/zinc/27/45/00/1167274500.db2.gz HJJRXOGPBFONSF-UHFFFAOYSA-N -1 1 320.353 0.387 20 0 DCADMM COCCCOCCN(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591417014 1167274508 /nfs/dbraw/zinc/27/45/08/1167274508.db2.gz HJJRXOGPBFONSF-UHFFFAOYSA-N -1 1 320.353 0.387 20 0 DCADMM COCCO[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001591433528 1167283636 /nfs/dbraw/zinc/28/36/36/1167283636.db2.gz HYZDWQHJJNADHH-JTQLQIEISA-N -1 1 318.337 0.139 20 0 DCADMM COCCO[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001591433528 1167283641 /nfs/dbraw/zinc/28/36/41/1167283641.db2.gz HYZDWQHJJNADHH-JTQLQIEISA-N -1 1 318.337 0.139 20 0 DCADMM CO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591472858 1167304518 /nfs/dbraw/zinc/30/45/18/1167304518.db2.gz ISNHTECRYROKJN-PHIMTYICSA-N -1 1 302.338 0.440 20 0 DCADMM CO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591472858 1167304519 /nfs/dbraw/zinc/30/45/19/1167304519.db2.gz ISNHTECRYROKJN-PHIMTYICSA-N -1 1 302.338 0.440 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCC[C@H]1CCOC1 ZINC001591475123 1167306733 /nfs/dbraw/zinc/30/67/33/1167306733.db2.gz RMDOTHWRECDGEE-JTQLQIEISA-N -1 1 305.338 0.854 20 0 DCADMM COc1ncc(NC(=O)C2CCOCC2)cc1-c1nn[n-]n1 ZINC001591664431 1167342769 /nfs/dbraw/zinc/34/27/69/1167342769.db2.gz KUTOVULBOPJYNL-UHFFFAOYSA-N -1 1 304.310 0.635 20 0 DCADMM COc1ncc(NC(=O)N[C@@H]2CC23CC3)cc1-c1nn[n-]n1 ZINC001591664101 1167343010 /nfs/dbraw/zinc/34/30/10/1167343010.db2.gz IFXPOBXEXCDSFJ-SECBINFHSA-N -1 1 301.310 0.944 20 0 DCADMM COc1ncc(NC(=O)C[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC001591664503 1167343184 /nfs/dbraw/zinc/34/31/84/1167343184.db2.gz LALAPKDHOBYDIW-UHFFFAOYSA-N -1 1 303.326 0.305 20 0 DCADMM COc1ncc(Cl)c(NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001591662748 1167343724 /nfs/dbraw/zinc/34/37/24/1167343724.db2.gz DTSKFOUSHRMWBX-UHFFFAOYSA-N -1 1 322.720 0.022 20 0 DCADMM COc1ncc(NC(=O)[C@@H](OC)C(C)C)cc1-c1nn[n-]n1 ZINC001591664040 1167343799 /nfs/dbraw/zinc/34/37/99/1167343799.db2.gz HQATXRHQCAASPB-JTQLQIEISA-N -1 1 306.326 0.880 20 0 DCADMM COc1cnc(N(C)C(=O)c2coc(-c3nnn[n-]3)c2)nc1 ZINC001591657827 1167343841 /nfs/dbraw/zinc/34/38/41/1167343841.db2.gz GQQVGZMJYQPKSZ-UHFFFAOYSA-N -1 1 301.266 0.535 20 0 DCADMM COc1cnc(N(C)C(=O)c2coc(-c3nn[n-]n3)c2)nc1 ZINC001591657827 1167343849 /nfs/dbraw/zinc/34/38/49/1167343849.db2.gz GQQVGZMJYQPKSZ-UHFFFAOYSA-N -1 1 301.266 0.535 20 0 DCADMM COc1nc(C)cc(C)c1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001591662383 1167344652 /nfs/dbraw/zinc/34/46/52/1167344652.db2.gz SBGBVKKLDLESEM-UHFFFAOYSA-N -1 1 312.337 0.711 20 0 DCADMM CS(=O)(=O)CC1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001591670998 1167346228 /nfs/dbraw/zinc/34/62/28/1167346228.db2.gz CGLZRXLHRKBRBE-UHFFFAOYSA-N -1 1 322.394 0.523 20 0 DCADMM CS(=O)(=O)CC1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001591670998 1167346231 /nfs/dbraw/zinc/34/62/31/1167346231.db2.gz CGLZRXLHRKBRBE-UHFFFAOYSA-N -1 1 322.394 0.523 20 0 DCADMM COc1nnccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591670474 1167347086 /nfs/dbraw/zinc/34/70/86/1167347086.db2.gz OSYMEDIKVIJGMK-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C(C)(C)C ZINC001591764202 1167368274 /nfs/dbraw/zinc/36/82/74/1167368274.db2.gz TYYDGIQITBZIBY-MRVPVSSYSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C(C)(C)C ZINC001591764202 1167368281 /nfs/dbraw/zinc/36/82/81/1167368281.db2.gz TYYDGIQITBZIBY-MRVPVSSYSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCCC1 ZINC001591768758 1167372403 /nfs/dbraw/zinc/37/24/03/1167372403.db2.gz ZOHMPSOHMJQNIC-VIFPVBQESA-N -1 1 315.337 0.002 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCCC1 ZINC001591768758 1167372415 /nfs/dbraw/zinc/37/24/15/1167372415.db2.gz ZOHMPSOHMJQNIC-VIFPVBQESA-N -1 1 315.337 0.002 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)CCCO ZINC001591834572 1167390254 /nfs/dbraw/zinc/39/02/54/1167390254.db2.gz DHBYMIFZAJHKRQ-MRVPVSSYSA-N -1 1 306.326 0.167 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(CCOCCO)C2CCC2)n1 ZINC001591884097 1167408565 /nfs/dbraw/zinc/40/85/65/1167408565.db2.gz PTUYKOKQVBYRLG-UHFFFAOYSA-N -1 1 319.369 0.333 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(CCOCCO)C2CCC2)n1 ZINC001591884097 1167408569 /nfs/dbraw/zinc/40/85/69/1167408569.db2.gz PTUYKOKQVBYRLG-UHFFFAOYSA-N -1 1 319.369 0.333 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)[C@H](C)C2CC2)n1 ZINC001591900008 1167415875 /nfs/dbraw/zinc/41/58/75/1167415875.db2.gz HUWZPAJOWZHNML-SECBINFHSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)[C@H](C)C2CC2)n1 ZINC001591900008 1167415878 /nfs/dbraw/zinc/41/58/78/1167415878.db2.gz HUWZPAJOWZHNML-SECBINFHSA-N -1 1 316.369 0.539 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)c2ccc[nH]2)n1 ZINC001591900013 1167416005 /nfs/dbraw/zinc/41/60/05/1167416005.db2.gz HXCNTGIIFBVTHP-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)c2ccc[nH]2)n1 ZINC001591900013 1167416009 /nfs/dbraw/zinc/41/60/09/1167416009.db2.gz HXCNTGIIFBVTHP-UHFFFAOYSA-N -1 1 313.325 0.135 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCNC(=O)CC2CC2)n1 ZINC001591900156 1167416214 /nfs/dbraw/zinc/41/62/14/1167416214.db2.gz MYLQPJGUZMSUGV-UHFFFAOYSA-N -1 1 302.342 0.293 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCNC(=O)CC2CC2)n1 ZINC001591900156 1167416218 /nfs/dbraw/zinc/41/62/18/1167416218.db2.gz MYLQPJGUZMSUGV-UHFFFAOYSA-N -1 1 302.342 0.293 20 0 DCADMM Cc1cc(N2C[C@H](CO)OC(C)(C)C2)cc(-c2nnn[n-]2)n1 ZINC001592001435 1167433077 /nfs/dbraw/zinc/43/30/77/1167433077.db2.gz VMFWWUHLMMMDNE-LLVKDONJSA-N -1 1 304.354 0.546 20 0 DCADMM Cc1cc(N2C[C@H](CO)OC(C)(C)C2)cc(-c2nn[n-]n2)n1 ZINC001592001435 1167433082 /nfs/dbraw/zinc/43/30/82/1167433082.db2.gz VMFWWUHLMMMDNE-LLVKDONJSA-N -1 1 304.354 0.546 20 0 DCADMM Cc1cc(N2CCS(=O)(=O)C[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592009246 1167434057 /nfs/dbraw/zinc/43/40/57/1167434057.db2.gz TUMJTNFVOPDBJV-SECBINFHSA-N -1 1 322.394 0.441 20 0 DCADMM Cc1cc(N2CCS(=O)(=O)C[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592009246 1167434061 /nfs/dbraw/zinc/43/40/61/1167434061.db2.gz TUMJTNFVOPDBJV-SECBINFHSA-N -1 1 322.394 0.441 20 0 DCADMM Cc1cc(N2CC[S@@](=O)C[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592009123 1167435072 /nfs/dbraw/zinc/43/50/72/1167435072.db2.gz SFLGKLJYLUENPJ-JLTPVHFHSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1cc(N2CC[S@@](=O)C[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592009123 1167435076 /nfs/dbraw/zinc/43/50/76/1167435076.db2.gz SFLGKLJYLUENPJ-JLTPVHFHSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1cc(NC[C@H](O)C2CCOCC2)nc(-c2nnn[n-]2)c1 ZINC001592041563 1167443108 /nfs/dbraw/zinc/44/31/08/1167443108.db2.gz FTDZGRIJNWLVPR-LBPRGKRZSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1cc(NC[C@H](O)C2CCOCC2)nc(-c2nn[n-]n2)c1 ZINC001592041563 1167443113 /nfs/dbraw/zinc/44/31/13/1167443113.db2.gz FTDZGRIJNWLVPR-LBPRGKRZSA-N -1 1 304.354 0.770 20 0 DCADMM Cc1ccc(-c2noc([C@H](C)n3cnc(-c4nn[n-]n4)n3)n2)cn1 ZINC001592112400 1167458466 /nfs/dbraw/zinc/45/84/66/1167458466.db2.gz INTFMSJZNWSTHC-QMMMGPOBSA-N -1 1 324.308 0.821 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC2(CCNC2=O)CC1 ZINC001592111059 1167458585 /nfs/dbraw/zinc/45/85/85/1167458585.db2.gz ZOKOQZDALBTWDP-UHFFFAOYSA-N -1 1 313.365 0.677 20 0 DCADMM Cc1ccc(NCCCN2CCOC2=O)nc1-c1nnn[n-]1 ZINC001592185673 1167472844 /nfs/dbraw/zinc/47/28/44/1167472844.db2.gz IDSVZCQTKLYIQW-UHFFFAOYSA-N -1 1 303.326 0.824 20 0 DCADMM Cc1ccc(NCCCN2CCOC2=O)nc1-c1nn[n-]n1 ZINC001592185673 1167472848 /nfs/dbraw/zinc/47/28/48/1167472848.db2.gz IDSVZCQTKLYIQW-UHFFFAOYSA-N -1 1 303.326 0.824 20 0 DCADMM Cc1ccc(OC[C@@H](O)Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001592187099 1167473581 /nfs/dbraw/zinc/47/35/81/1167473581.db2.gz GSELXHRVXNKVPU-JTQLQIEISA-N -1 1 301.310 0.207 20 0 DCADMM Cc1cccnc1-c1noc([C@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001592260764 1167479482 /nfs/dbraw/zinc/47/94/82/1167479482.db2.gz IFNBWBIIDCIEAD-QMMMGPOBSA-N -1 1 324.308 0.821 20 0 DCADMM Cc1ccn(CN2CC(OC(F)F)C2)c(=O)c1-c1nn[n-]n1 ZINC001592266911 1167480135 /nfs/dbraw/zinc/48/01/35/1167480135.db2.gz JJYUJAQADIJPMH-UHFFFAOYSA-N -1 1 312.280 0.218 20 0 DCADMM Cc1[nH]nc(NC(=O)COCc2ccccn2)c1-c1nn[n-]n1 ZINC001592327797 1167488288 /nfs/dbraw/zinc/48/82/88/1167488288.db2.gz ICLXFBQBBZIBHP-UHFFFAOYSA-N -1 1 314.309 0.449 20 0 DCADMM Cc1nc(-c2nnn[n-]2)n(Cc2cc(=O)n3ccccc3n2)c1C ZINC001592339121 1167493260 /nfs/dbraw/zinc/49/32/60/1167493260.db2.gz DZAPGMFDROFGMG-UHFFFAOYSA-N -1 1 322.332 0.736 20 0 DCADMM Cc1nc(-c2nn[n-]n2)n(Cc2cc(=O)n3ccccc3n2)c1C ZINC001592339121 1167493263 /nfs/dbraw/zinc/49/32/63/1167493263.db2.gz DZAPGMFDROFGMG-UHFFFAOYSA-N -1 1 322.332 0.736 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H]([C@@H]3CCOC3)C2)n1 ZINC001592337851 1167493741 /nfs/dbraw/zinc/49/37/41/1167493741.db2.gz PSKHTDJPEHQYNB-WDEREUQCSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H]([C@@H]3CCOC3)C2)n1 ZINC001592337851 1167493746 /nfs/dbraw/zinc/49/37/46/1167493746.db2.gz PSKHTDJPEHQYNB-WDEREUQCSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](c3nnc[nH]3)C2)n1 ZINC001592341598 1167495748 /nfs/dbraw/zinc/49/57/48/1167495748.db2.gz XOOXPGHXSYRFQW-VIFPVBQESA-N -1 1 312.341 0.467 20 0 DCADMM Cc1nc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC001592354559 1167504793 /nfs/dbraw/zinc/50/47/93/1167504793.db2.gz SUXOJDIFLZLRJP-ZCFIWIBFSA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC001592354559 1167504800 /nfs/dbraw/zinc/50/48/00/1167504800.db2.gz SUXOJDIFLZLRJP-ZCFIWIBFSA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nc(N[C@@H](CO)C2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001592379715 1167509130 /nfs/dbraw/zinc/50/91/30/1167509130.db2.gz LJCGDFXLVYGZIM-NSHDSACASA-N -1 1 305.342 0.165 20 0 DCADMM Cc1nc(N[C@@H](CO)C2CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001592379715 1167509134 /nfs/dbraw/zinc/50/91/34/1167509134.db2.gz LJCGDFXLVYGZIM-NSHDSACASA-N -1 1 305.342 0.165 20 0 DCADMM Cc1nc(N[C@@H](C)c2nnc3n2CCC3)cc(-c2nnn[n-]2)n1 ZINC001592380275 1167509256 /nfs/dbraw/zinc/50/92/56/1167509256.db2.gz ICPVFSHRZXGMQO-ZETCQYMHSA-N -1 1 312.341 0.676 20 0 DCADMM Cc1nc(N[C@@H](C)c2nnc3n2CCC3)cc(-c2nn[n-]n2)n1 ZINC001592380275 1167509262 /nfs/dbraw/zinc/50/92/62/1167509262.db2.gz ICPVFSHRZXGMQO-ZETCQYMHSA-N -1 1 312.341 0.676 20 0 DCADMM Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592398437 1167512556 /nfs/dbraw/zinc/51/25/56/1167512556.db2.gz CKGLUVNYKFFDFY-UHFFFAOYSA-N -1 1 314.265 0.024 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCO[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592433542 1167519986 /nfs/dbraw/zinc/51/99/86/1167519986.db2.gz FFVRVGLBPLZDCO-APPZFPTMSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@H]2CCO[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592433542 1167519995 /nfs/dbraw/zinc/51/99/95/1167519995.db2.gz FFVRVGLBPLZDCO-APPZFPTMSA-N -1 1 305.342 0.662 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001592428626 1167520585 /nfs/dbraw/zinc/52/05/85/1167520585.db2.gz KMARLKXHMZJXPC-JTQLQIEISA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nn(C)c(C)c1[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001592428626 1167520590 /nfs/dbraw/zinc/52/05/90/1167520590.db2.gz KMARLKXHMZJXPC-JTQLQIEISA-N -1 1 315.341 0.153 20 0 DCADMM Cc1nnc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)s1 ZINC001592443138 1167524118 /nfs/dbraw/zinc/52/41/18/1167524118.db2.gz WQSFUCSSXONMIC-UHFFFAOYSA-N -1 1 303.307 0.779 20 0 DCADMM Cc1nnc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)s1 ZINC001592443138 1167524131 /nfs/dbraw/zinc/52/41/31/1167524131.db2.gz WQSFUCSSXONMIC-UHFFFAOYSA-N -1 1 303.307 0.779 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592442235 1167525158 /nfs/dbraw/zinc/52/51/58/1167525158.db2.gz JXFBBJOVIDSBFT-VXNVDRBHSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592442235 1167525160 /nfs/dbraw/zinc/52/51/60/1167525160.db2.gz JXFBBJOVIDSBFT-VXNVDRBHSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1nnc(CNC(=O)c2coc(-c3nnn[n-]3)c2)n1C1CC1 ZINC001592444483 1167526499 /nfs/dbraw/zinc/52/64/99/1167526499.db2.gz SQCBVDCDEZFAJU-UHFFFAOYSA-N -1 1 314.309 0.625 20 0 DCADMM Cc1nnc(CNC(=O)c2coc(-c3nn[n-]n3)c2)n1C1CC1 ZINC001592444483 1167526503 /nfs/dbraw/zinc/52/65/03/1167526503.db2.gz SQCBVDCDEZFAJU-UHFFFAOYSA-N -1 1 314.309 0.625 20 0 DCADMM Cc1noc(C2(NC(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001592460072 1167529308 /nfs/dbraw/zinc/52/93/08/1167529308.db2.gz ZNDSDXXJNOIAIM-UHFFFAOYSA-N -1 1 312.293 0.372 20 0 DCADMM Cc1noc(C2(NC(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001592460072 1167529314 /nfs/dbraw/zinc/52/93/14/1167529314.db2.gz ZNDSDXXJNOIAIM-UHFFFAOYSA-N -1 1 312.293 0.372 20 0 DCADMM Cc1noc(CN(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC001592461819 1167530602 /nfs/dbraw/zinc/53/06/02/1167530602.db2.gz BVMBMHUUTIHVKU-UHFFFAOYSA-N -1 1 318.297 0.056 20 0 DCADMM Cc1noc(CN(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC001592461819 1167530613 /nfs/dbraw/zinc/53/06/13/1167530613.db2.gz BVMBMHUUTIHVKU-UHFFFAOYSA-N -1 1 318.297 0.056 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592480255 1167535807 /nfs/dbraw/zinc/53/58/07/1167535807.db2.gz VQKUAPVAFFCXOK-SVRRBLITSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC(=O)N2CC[C@H](O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592480255 1167535812 /nfs/dbraw/zinc/53/58/12/1167535812.db2.gz VQKUAPVAFFCXOK-SVRRBLITSA-N -1 1 323.382 0.866 20 0 DCADMM Cc1nsc(NC[C@@]2(CCO)CCOC2)c1-c1nn[n-]n1 ZINC001592488212 1167538359 /nfs/dbraw/zinc/53/83/59/1167538359.db2.gz YDNCAHIYZQUFHV-GFCCVEGCSA-N -1 1 310.383 0.833 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCOC[C@H]1CCCO1 ZINC001592501368 1167542408 /nfs/dbraw/zinc/54/24/08/1167542408.db2.gz PNPOERFKDSSFDM-SNVBAGLBSA-N -1 1 321.337 0.694 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCOC[C@H]1CCCO1 ZINC001592501368 1167542410 /nfs/dbraw/zinc/54/24/10/1167542410.db2.gz PNPOERFKDSSFDM-SNVBAGLBSA-N -1 1 321.337 0.694 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1CCCNC1=O ZINC001592504243 1167543195 /nfs/dbraw/zinc/54/31/95/1167543195.db2.gz ZXSLMVXWFLBIOU-MRVPVSSYSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1CCCNC1=O ZINC001592504243 1167543204 /nfs/dbraw/zinc/54/32/04/1167543204.db2.gz ZXSLMVXWFLBIOU-MRVPVSSYSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@H](O)C(F)F ZINC001592503685 1167545414 /nfs/dbraw/zinc/54/54/14/1167545414.db2.gz WTDNLVRIZDBKRY-SSDOTTSWSA-N -1 1 301.253 0.514 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H](CF)C2)c1-c1nnn[n-]1 ZINC001592516248 1167546120 /nfs/dbraw/zinc/54/61/20/1167546120.db2.gz ZIKHEJJUWBBDFL-VIFPVBQESA-N -1 1 308.317 0.914 20 0 DCADMM Cc1onc(CC(=O)N2CCC[C@@H](CF)C2)c1-c1nn[n-]n1 ZINC001592516248 1167546126 /nfs/dbraw/zinc/54/61/26/1167546126.db2.gz ZIKHEJJUWBBDFL-VIFPVBQESA-N -1 1 308.317 0.914 20 0 DCADMM Cn1c(=O)[nH]c(N2CC3(C2)CCCCC3)c(-c2nn[n-]n2)c1=O ZINC001592542417 1167551192 /nfs/dbraw/zinc/55/11/92/1167551192.db2.gz HGVMNWFOLXIGEP-UHFFFAOYSA-N -1 1 317.353 0.024 20 0 DCADMM Cn1c(=O)[nH]c(Oc2ccc(F)cc2F)c(-c2nn[n-]n2)c1=O ZINC001592545243 1167551643 /nfs/dbraw/zinc/55/16/43/1167551643.db2.gz RIUAQQOEJZKAOM-UHFFFAOYSA-N -1 1 322.231 0.324 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCC2CC=CC2)n(C)c1=O ZINC001592555725 1167557292 /nfs/dbraw/zinc/55/72/92/1167557292.db2.gz RKMJBNZUROVYKW-UHFFFAOYSA-N -1 1 317.353 0.032 20 0 DCADMM Cn1cc(-c2nc(Cn3cc(-c4nn[n-]n4)nn3)cs2)cn1 ZINC001592558067 1167557376 /nfs/dbraw/zinc/55/73/76/1167557376.db2.gz LWZQGFIRCWWIMD-UHFFFAOYSA-N -1 1 314.338 0.364 20 0 DCADMM Cn1ccc(COC(=O)c2cccc(-c3nnn[n-]3)n2)cc1=O ZINC001592580598 1167567497 /nfs/dbraw/zinc/56/74/97/1167567497.db2.gz QXVITPAQWXXXLC-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM Cn1ccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)cc1=O ZINC001592580598 1167567502 /nfs/dbraw/zinc/56/75/02/1167567502.db2.gz QXVITPAQWXXXLC-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM Cn1ncc(C(=O)Nc2nc(Cl)c(-c3nnn[n-]3)s2)n1 ZINC001592599708 1167577880 /nfs/dbraw/zinc/57/78/80/1167577880.db2.gz WTHUEBXUMIBDBB-UHFFFAOYSA-N -1 1 311.718 0.357 20 0 DCADMM Cn1ncc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001592599708 1167577883 /nfs/dbraw/zinc/57/78/83/1167577883.db2.gz WTHUEBXUMIBDBB-UHFFFAOYSA-N -1 1 311.718 0.357 20 0 DCADMM Cn1nccc1C1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001592606110 1167580916 /nfs/dbraw/zinc/58/09/16/1167580916.db2.gz FKEYUALUEOUSOC-UHFFFAOYSA-N -1 1 309.337 0.684 20 0 DCADMM Cn1nccc1C1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001592606110 1167580921 /nfs/dbraw/zinc/58/09/21/1167580921.db2.gz FKEYUALUEOUSOC-UHFFFAOYSA-N -1 1 309.337 0.684 20 0 DCADMM FC(F)(F)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001592616213 1167585815 /nfs/dbraw/zinc/58/58/15/1167585815.db2.gz TXXADMTVBIEHCR-ZETCQYMHSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)(F)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001592616213 1167585818 /nfs/dbraw/zinc/58/58/18/1167585818.db2.gz TXXADMTVBIEHCR-ZETCQYMHSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)(F)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001592615314 1167586053 /nfs/dbraw/zinc/58/60/53/1167586053.db2.gz IGUMQQDVSBGMQO-QMMMGPOBSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)(F)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001592615314 1167586059 /nfs/dbraw/zinc/58/60/59/1167586059.db2.gz IGUMQQDVSBGMQO-QMMMGPOBSA-N -1 1 315.259 0.814 20 0 DCADMM FC(F)(F)c1ccnc(CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001592621753 1167587463 /nfs/dbraw/zinc/58/74/63/1167587463.db2.gz WLOVSCVYXFPMEK-UHFFFAOYSA-N -1 1 323.242 0.500 20 0 DCADMM F[C@H]1CCCN(Cc2cnc3c(-c4nnn[n-]4)cnn3c2)C1 ZINC001592630730 1167587751 /nfs/dbraw/zinc/58/77/51/1167587751.db2.gz LJTBEVUVBDWVAF-JTQLQIEISA-N -1 1 302.317 0.843 20 0 DCADMM F[C@H]1CCCN(Cc2cnc3c(-c4nn[n-]n4)cnn3c2)C1 ZINC001592630730 1167587755 /nfs/dbraw/zinc/58/77/55/1167587755.db2.gz LJTBEVUVBDWVAF-JTQLQIEISA-N -1 1 302.317 0.843 20 0 DCADMM NC(=O)C1(CNC(=O)c2ccsc2-c2nnn[n-]2)CCCC1 ZINC001592717259 1167611712 /nfs/dbraw/zinc/61/17/12/1167611712.db2.gz IAASUPPTXIQORM-UHFFFAOYSA-N -1 1 320.378 0.704 20 0 DCADMM NC(=O)C1(CNC(=O)c2ccsc2-c2nn[n-]n2)CCCC1 ZINC001592717259 1167611716 /nfs/dbraw/zinc/61/17/16/1167611716.db2.gz IAASUPPTXIQORM-UHFFFAOYSA-N -1 1 320.378 0.704 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=CCOc1ccccc1 ZINC001592753524 1167631194 /nfs/dbraw/zinc/63/11/94/1167631194.db2.gz AYOYGODJQWZINY-QPJJXVBHSA-N -1 1 311.305 0.921 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001592754955 1167634043 /nfs/dbraw/zinc/63/40/43/1167634043.db2.gz YKNBISLLWMVKAJ-MHSYXAOVSA-N -1 1 309.280 0.967 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1COC2(CCC2)C1 ZINC001592915202 1167664777 /nfs/dbraw/zinc/66/47/77/1167664777.db2.gz MDPNFMZAMSJMDQ-LLVKDONJSA-N -1 1 314.349 0.632 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1COC2(CCC2)C1 ZINC001592915202 1167664782 /nfs/dbraw/zinc/66/47/82/1167664782.db2.gz MDPNFMZAMSJMDQ-LLVKDONJSA-N -1 1 314.349 0.632 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCCO[C@@H]1CCOC1 ZINC001592914951 1167666478 /nfs/dbraw/zinc/66/64/78/1167666478.db2.gz NYSKLFWQYKDUMW-LLVKDONJSA-N -1 1 319.321 0.153 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCCO[C@@H]1CCOC1 ZINC001592914951 1167666482 /nfs/dbraw/zinc/66/64/82/1167666482.db2.gz NYSKLFWQYKDUMW-LLVKDONJSA-N -1 1 319.321 0.153 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)cc1=O)c1cccc(Cl)c1 ZINC001592940615 1167668933 /nfs/dbraw/zinc/66/89/33/1167668933.db2.gz QLTDSQCXBASNSX-UHFFFAOYSA-N -1 1 316.708 0.960 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2ccccc2C1 ZINC001592940172 1167670422 /nfs/dbraw/zinc/67/04/22/1167670422.db2.gz QVHYKYCXWVVVEL-UHFFFAOYSA-N -1 1 310.321 0.043 20 0 DCADMM O=C(N[C@@H](CCO)C(F)(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001592950071 1167672803 /nfs/dbraw/zinc/67/28/03/1167672803.db2.gz RQBMKXYTNFOOSR-QMMMGPOBSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(N[C@@H](CCO)C(F)(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001592950071 1167672804 /nfs/dbraw/zinc/67/28/04/1167672804.db2.gz RQBMKXYTNFOOSR-QMMMGPOBSA-N -1 1 316.243 0.305 20 0 DCADMM O=C(NC[C@H](O)c1ccncc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593013363 1167686782 /nfs/dbraw/zinc/68/67/82/1167686782.db2.gz AYDJNEGANIBCFU-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NC[C@H](O)c1ccncc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593013363 1167686787 /nfs/dbraw/zinc/68/67/87/1167686787.db2.gz AYDJNEGANIBCFU-LBPRGKRZSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(NC[C@@H](O)c1ccsc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593013972 1167689369 /nfs/dbraw/zinc/68/93/69/1167689369.db2.gz QVKMOPZZIOZFGQ-MRVPVSSYSA-N -1 1 305.319 0.985 20 0 DCADMM O=C(NC[C@@H](O)c1ccsc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593013972 1167689372 /nfs/dbraw/zinc/68/93/72/1167689372.db2.gz QVKMOPZZIOZFGQ-MRVPVSSYSA-N -1 1 305.319 0.985 20 0 DCADMM O=C(CCNC(=O)c1coc(-c2nnn[n-]2)c1)N1CCCCC1 ZINC001593056392 1167695522 /nfs/dbraw/zinc/69/55/22/1167695522.db2.gz FRZAGCDVGMRTGP-UHFFFAOYSA-N -1 1 318.337 0.592 20 0 DCADMM O=C(CCNC(=O)c1coc(-c2nn[n-]n2)c1)N1CCCCC1 ZINC001593056392 1167695526 /nfs/dbraw/zinc/69/55/26/1167695526.db2.gz FRZAGCDVGMRTGP-UHFFFAOYSA-N -1 1 318.337 0.592 20 0 DCADMM O=C(NCCCn1cc(-c2nn[n-]n2)ccc1=O)C1CCCC1 ZINC001593081579 1167701421 /nfs/dbraw/zinc/70/14/21/1167701421.db2.gz AESXXZUHZGRGKP-UHFFFAOYSA-N -1 1 316.365 0.725 20 0 DCADMM O=C(NCCOC[C@@H]1CCOC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593097277 1167705439 /nfs/dbraw/zinc/70/54/39/1167705439.db2.gz RGAABBFIMIBBGX-SNVBAGLBSA-N -1 1 318.337 0.045 20 0 DCADMM O=C(NCCOC[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593097277 1167705447 /nfs/dbraw/zinc/70/54/47/1167705447.db2.gz RGAABBFIMIBBGX-SNVBAGLBSA-N -1 1 318.337 0.045 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001593111904 1167713252 /nfs/dbraw/zinc/71/32/52/1167713252.db2.gz HXRVVFCJORWKPG-OUAUKWLOSA-N -1 1 314.353 0.177 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1cnns1 ZINC001593122881 1167714013 /nfs/dbraw/zinc/71/40/13/1167714013.db2.gz QSDUNJYQZXGZJJ-UHFFFAOYSA-N -1 1 323.288 0.926 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1cnns1 ZINC001593122881 1167714017 /nfs/dbraw/zinc/71/40/17/1167714017.db2.gz QSDUNJYQZXGZJJ-UHFFFAOYSA-N -1 1 323.288 0.926 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1C[C@H](O)C1 ZINC001593137793 1167721454 /nfs/dbraw/zinc/72/14/54/1167721454.db2.gz UNOVUTOBPFHCAR-ZKCHVHJHSA-N -1 1 308.367 0.498 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCn2cncc2C1 ZINC001593146460 1167724444 /nfs/dbraw/zinc/72/44/44/1167724444.db2.gz PQWYYQLZVQOTII-LLVKDONJSA-N -1 1 324.348 0.337 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cccnc1F ZINC001593152036 1167726587 /nfs/dbraw/zinc/72/65/87/1167726587.db2.gz TWELKXULOGNXOC-UHFFFAOYSA-N -1 1 305.298 0.787 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cccnc1F ZINC001593152036 1167726597 /nfs/dbraw/zinc/72/65/97/1167726597.db2.gz TWELKXULOGNXOC-UHFFFAOYSA-N -1 1 305.298 0.787 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@@H]1CC[C@@H](O)C1 ZINC001593151382 1167726730 /nfs/dbraw/zinc/72/67/30/1167726730.db2.gz WWLURBXSIBCCQI-HTQZYQBOSA-N -1 1 323.382 0.283 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@@H]1CC[C@@H](O)C1 ZINC001593151382 1167726738 /nfs/dbraw/zinc/72/67/38/1167726738.db2.gz WWLURBXSIBCCQI-HTQZYQBOSA-N -1 1 323.382 0.283 20 0 DCADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)C1=C[S@@](=O)CCC1 ZINC001593171254 1167730779 /nfs/dbraw/zinc/73/07/79/1167730779.db2.gz RRGZWTYSFNIICB-QFIPXVFZSA-N -1 1 319.346 0.703 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnn2ccncc12 ZINC001593203345 1167738947 /nfs/dbraw/zinc/73/89/47/1167738947.db2.gz LTWIMBHKCYPEHU-UHFFFAOYSA-N -1 1 322.288 0.867 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CCC[C@H](CO)C1 ZINC001593244102 1167743369 /nfs/dbraw/zinc/74/33/69/1167743369.db2.gz LBPSOVGNRCXRGE-VHSXEESVSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CCC[C@H](CO)C1 ZINC001593244102 1167743380 /nfs/dbraw/zinc/74/33/80/1167743380.db2.gz LBPSOVGNRCXRGE-VHSXEESVSA-N -1 1 317.353 0.934 20 0 DCADMM O=C(Nc1cccc2c1CNC2=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001593248825 1167743826 /nfs/dbraw/zinc/74/38/26/1167743826.db2.gz GFFGLWHVXANKMC-UHFFFAOYSA-N -1 1 321.300 0.757 20 0 DCADMM O=C(Nc1cccc2c1CNC2=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001593248825 1167743832 /nfs/dbraw/zinc/74/38/32/1167743832.db2.gz GFFGLWHVXANKMC-UHFFFAOYSA-N -1 1 321.300 0.757 20 0 DCADMM O=C(Nc1cccc2c1C(=O)NC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593250135 1167744784 /nfs/dbraw/zinc/74/47/84/1167744784.db2.gz RLQKKOXQWGXBAW-UHFFFAOYSA-N -1 1 310.273 0.955 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1nccc2cccnc21 ZINC001593260530 1167746342 /nfs/dbraw/zinc/74/63/42/1167746342.db2.gz MSJOGVNSTZYKBU-UHFFFAOYSA-N -1 1 307.277 0.785 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cnc2n1CCOC2 ZINC001593267442 1167748448 /nfs/dbraw/zinc/74/84/48/1167748448.db2.gz DXPPFMABAKKMAA-UHFFFAOYSA-N -1 1 318.322 0.302 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cnc2n1CCOC2 ZINC001593267442 1167748456 /nfs/dbraw/zinc/74/84/56/1167748456.db2.gz DXPPFMABAKKMAA-UHFFFAOYSA-N -1 1 318.322 0.302 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCc2c[nH]nc2C1 ZINC001593268673 1167749823 /nfs/dbraw/zinc/74/98/23/1167749823.db2.gz YHIMPIILHXDQJR-LURJTMIESA-N -1 1 316.350 0.790 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCc2c[nH]nc2C1 ZINC001593268673 1167749831 /nfs/dbraw/zinc/74/98/31/1167749831.db2.gz YHIMPIILHXDQJR-LURJTMIESA-N -1 1 316.350 0.790 20 0 DCADMM O=C(Nc1nn2cnnc2s1)c1csc(-c2nn[n-]n2)c1 ZINC001593269915 1167750084 /nfs/dbraw/zinc/75/00/84/1167750084.db2.gz PXZBHYCPSMBLAG-UHFFFAOYSA-N -1 1 319.335 0.680 20 0 DCADMM O=C(O[C@H]1CSc2nccn2C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593281345 1167756545 /nfs/dbraw/zinc/75/65/45/1167756545.db2.gz VHKQFEAGCIDGSC-SSDOTTSWSA-N -1 1 318.318 0.988 20 0 DCADMM O=C(OC[C@@H]1CCC2(COC2)O1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593284363 1167759364 /nfs/dbraw/zinc/75/93/64/1167759364.db2.gz MJZOGHZBEUMRSS-JTQLQIEISA-N -1 1 317.305 0.367 20 0 DCADMM O=C(OC[C@@H]1CCC2(COC2)O1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593284363 1167759368 /nfs/dbraw/zinc/75/93/68/1167759368.db2.gz MJZOGHZBEUMRSS-JTQLQIEISA-N -1 1 317.305 0.367 20 0 DCADMM O=C(OCC[C@@H]1CCOC1=O)c1cccc(-c2nnn[n-]2)n1 ZINC001593287205 1167762078 /nfs/dbraw/zinc/76/20/78/1167762078.db2.gz HTWRYHNQEIAAKA-QMMMGPOBSA-N -1 1 303.278 0.372 20 0 DCADMM O=C(OCC[C@@H]1CCOC1=O)c1cccc(-c2nn[n-]n2)n1 ZINC001593287205 1167762085 /nfs/dbraw/zinc/76/20/85/1167762085.db2.gz HTWRYHNQEIAAKA-QMMMGPOBSA-N -1 1 303.278 0.372 20 0 DCADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1C[C@@]12CCOC2 ZINC001593301791 1167766253 /nfs/dbraw/zinc/76/62/53/1167766253.db2.gz PMNNOJPJVVWDJW-QMTHXVAHSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1C[C@@]12CCOC2 ZINC001593301791 1167766261 /nfs/dbraw/zinc/76/62/61/1167766261.db2.gz PMNNOJPJVVWDJW-QMTHXVAHSA-N -1 1 301.306 0.732 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@@]2(CCSC2)C1 ZINC001593338808 1167777548 /nfs/dbraw/zinc/77/75/48/1167777548.db2.gz GULMNDJSWOPASQ-ZDUSSCGKSA-N -1 1 321.362 0.808 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@@]2(CCSC2)C1 ZINC001593338808 1167777551 /nfs/dbraw/zinc/77/75/51/1167777551.db2.gz GULMNDJSWOPASQ-ZDUSSCGKSA-N -1 1 321.362 0.808 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC2(CC1)OCCO2 ZINC001593336828 1167777628 /nfs/dbraw/zinc/77/76/28/1167777628.db2.gz FBZMZWWASPJERF-UHFFFAOYSA-N -1 1 316.321 0.241 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC2(CC1)OCCO2 ZINC001593336828 1167777634 /nfs/dbraw/zinc/77/76/34/1167777634.db2.gz FBZMZWWASPJERF-UHFFFAOYSA-N -1 1 316.321 0.241 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]2COC[C@@H]21 ZINC001593337274 1167777936 /nfs/dbraw/zinc/77/79/36/1167777936.db2.gz TYTYSOSEFUGZMJ-PWSUYJOCSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]2COC[C@@H]21 ZINC001593337274 1167777946 /nfs/dbraw/zinc/77/79/46/1167777946.db2.gz TYTYSOSEFUGZMJ-PWSUYJOCSA-N -1 1 300.322 0.513 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC2CC1(c1ncc[nH]1)C2 ZINC001593337134 1167779078 /nfs/dbraw/zinc/77/90/78/1167779078.db2.gz QFQAGCAHWDMDJQ-UHFFFAOYSA-N -1 1 322.332 0.746 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC2CC1(c1ncc[nH]1)C2 ZINC001593337134 1167779087 /nfs/dbraw/zinc/77/90/87/1167779087.db2.gz QFQAGCAHWDMDJQ-UHFFFAOYSA-N -1 1 322.332 0.746 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@]12CCOC2=O ZINC001593337376 1167779754 /nfs/dbraw/zinc/77/97/54/1167779754.db2.gz ZYVNBERQXTVQAY-CQSZACIVSA-N -1 1 314.305 0.183 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@]12CCOC2=O ZINC001593337376 1167779762 /nfs/dbraw/zinc/77/97/62/1167779762.db2.gz ZYVNBERQXTVQAY-CQSZACIVSA-N -1 1 314.305 0.183 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](n2cccn2)C1 ZINC001593337085 1167780123 /nfs/dbraw/zinc/78/01/23/1167780123.db2.gz NMPSLRHNNLDCHL-LLVKDONJSA-N -1 1 310.321 0.545 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](n2cccn2)C1 ZINC001593337085 1167780133 /nfs/dbraw/zinc/78/01/33/1167780133.db2.gz NMPSLRHNNLDCHL-LLVKDONJSA-N -1 1 310.321 0.545 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@](O)(C(F)F)C1 ZINC001593348201 1167780944 /nfs/dbraw/zinc/78/09/44/1167780944.db2.gz PHOZXGVNLVLONS-LBPRGKRZSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@](O)(C(F)F)C1 ZINC001593348201 1167780952 /nfs/dbraw/zinc/78/09/52/1167780952.db2.gz PHOZXGVNLVLONS-LBPRGKRZSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOc2ncccc2C1 ZINC001593340117 1167781018 /nfs/dbraw/zinc/78/10/18/1167781018.db2.gz BKFILKLBHJNHOO-UHFFFAOYSA-N -1 1 323.316 0.692 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOc2ncccc2C1 ZINC001593340117 1167781025 /nfs/dbraw/zinc/78/10/25/1167781025.db2.gz BKFILKLBHJNHOO-UHFFFAOYSA-N -1 1 323.316 0.692 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@H]1C1CCC1 ZINC001593340976 1167783236 /nfs/dbraw/zinc/78/32/36/1167783236.db2.gz SBXGOSBNIBUJOV-ZDUSSCGKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@H]1C1CCC1 ZINC001593340976 1167783248 /nfs/dbraw/zinc/78/32/48/1167783248.db2.gz SBXGOSBNIBUJOV-ZDUSSCGKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@]2(CCOC2=O)C1 ZINC001593370421 1167790745 /nfs/dbraw/zinc/79/07/45/1167790745.db2.gz BEIVSWCQUCYILK-ZDUSSCGKSA-N -1 1 319.346 0.707 20 0 DCADMM O=C1C[C@@H](Cn2cc(-c3nn[n-]n3)c3ccsc3c2=O)CN1 ZINC001593384987 1167795304 /nfs/dbraw/zinc/79/53/04/1167795304.db2.gz ASNRIQOSOFUXES-SSDOTTSWSA-N -1 1 316.346 0.379 20 0 DCADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCCNC(=O)C1 ZINC001593397965 1167811416 /nfs/dbraw/zinc/81/14/16/1167811416.db2.gz KPOLESWPZYUSDG-UHFFFAOYSA-N -1 1 322.275 0.107 20 0 DCADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCCNC(=O)C1 ZINC001593397965 1167811426 /nfs/dbraw/zinc/81/14/26/1167811426.db2.gz KPOLESWPZYUSDG-UHFFFAOYSA-N -1 1 322.275 0.107 20 0 DCADMM O=C1NCCC2(CCN(c3cccc(-c4nnn[n-]4)n3)CC2)O1 ZINC001593403871 1167816443 /nfs/dbraw/zinc/81/64/43/1167816443.db2.gz FATHRIANTHVDQE-UHFFFAOYSA-N -1 1 315.337 0.731 20 0 DCADMM O=C1NCCC2(CCN(c3cccc(-c4nn[n-]n4)n3)CC2)O1 ZINC001593403871 1167816446 /nfs/dbraw/zinc/81/64/46/1167816446.db2.gz FATHRIANTHVDQE-UHFFFAOYSA-N -1 1 315.337 0.731 20 0 DCADMM O=S(=O)(NCc1ccco1)c1ccc(-c2nnn[n-]2)s1 ZINC001593442943 1167842222 /nfs/dbraw/zinc/84/22/22/1167842222.db2.gz PPSYBRCKTIQSTB-UHFFFAOYSA-N -1 1 311.348 1.000 20 0 DCADMM O=S(=O)(NCc1ccco1)c1ccc(-c2nn[n-]n2)s1 ZINC001593442943 1167842232 /nfs/dbraw/zinc/84/22/32/1167842232.db2.gz PPSYBRCKTIQSTB-UHFFFAOYSA-N -1 1 311.348 1.000 20 0 DCADMM O=S(=O)(NCc1cc[nH]n1)c1ccc(-c2nn[n-]n2)s1 ZINC001593444528 1167847331 /nfs/dbraw/zinc/84/73/31/1167847331.db2.gz VXRCMEKWEBFAJK-UHFFFAOYSA-N -1 1 311.352 0.130 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H]2C[C@@H]21 ZINC001593454892 1167847533 /nfs/dbraw/zinc/84/75/33/1167847533.db2.gz SVYGXNDSXDAOQJ-NKWVEPMBSA-N -1 1 313.364 0.090 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H]2C[C@@H]21 ZINC001593454892 1167847558 /nfs/dbraw/zinc/84/75/58/1167847558.db2.gz SVYGXNDSXDAOQJ-NKWVEPMBSA-N -1 1 313.364 0.090 20 0 DCADMM O=S1(=O)CC[C@@H](c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)C1 ZINC001593464751 1167854169 /nfs/dbraw/zinc/85/41/69/1167854169.db2.gz ZKNZRYADVLXUQL-ZCFIWIBFSA-N -1 1 322.306 0.412 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1Cc1noc(-c2ccccc2)n1 ZINC001593494771 1167878514 /nfs/dbraw/zinc/87/85/14/1167878514.db2.gz ROYMIDDCDRJPQL-UHFFFAOYSA-N -1 1 322.288 0.522 20 0 DCADMM O=c1cc[nH]c(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001593496546 1167880038 /nfs/dbraw/zinc/88/00/38/1167880038.db2.gz PFISNBAVXDVVNG-UHFFFAOYSA-N -1 1 310.321 0.835 20 0 DCADMM O=c1cc[nH]c(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001593496546 1167880045 /nfs/dbraw/zinc/88/00/45/1167880045.db2.gz PFISNBAVXDVVNG-UHFFFAOYSA-N -1 1 310.321 0.835 20 0 DCADMM O[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@H]1F ZINC001593518520 1167893188 /nfs/dbraw/zinc/89/31/88/1167893188.db2.gz ASXOANIXCDTCAB-KOLCDFICSA-N -1 1 315.312 0.719 20 0 DCADMM O[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@H]1F ZINC001593518520 1167893191 /nfs/dbraw/zinc/89/31/91/1167893191.db2.gz ASXOANIXCDTCAB-KOLCDFICSA-N -1 1 315.312 0.719 20 0 DCADMM O[C@H]1c2ccccc2OC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001593522777 1167897876 /nfs/dbraw/zinc/89/78/76/1167897876.db2.gz SDBRMZIYGLMGIQ-MFKMUULPSA-N -1 1 311.305 0.563 20 0 DCADMM O[C@H]1c2ccccc2OC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001593522777 1167897894 /nfs/dbraw/zinc/89/78/94/1167897894.db2.gz SDBRMZIYGLMGIQ-MFKMUULPSA-N -1 1 311.305 0.563 20 0 DCADMM O[C@@H]1c2ccccc2OC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001593522782 1167898224 /nfs/dbraw/zinc/89/82/24/1167898224.db2.gz SDBRMZIYGLMGIQ-ZWNOBZJWSA-N -1 1 311.305 0.563 20 0 DCADMM O[C@@H]1c2ccccc2OC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001593522782 1167898229 /nfs/dbraw/zinc/89/82/29/1167898229.db2.gz SDBRMZIYGLMGIQ-ZWNOBZJWSA-N -1 1 311.305 0.563 20 0 DCADMM OCC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)C1CCOCC1 ZINC001593529385 1167902763 /nfs/dbraw/zinc/90/27/63/1167902763.db2.gz RSPPVYVWMPAVFT-JTQLQIEISA-N -1 1 305.342 0.246 20 0 DCADMM OCC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)C1CCOCC1 ZINC001593529385 1167902771 /nfs/dbraw/zinc/90/27/71/1167902771.db2.gz RSPPVYVWMPAVFT-JTQLQIEISA-N -1 1 305.342 0.246 20 0 DCADMM OCC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCOCC1 ZINC001593529266 1167902824 /nfs/dbraw/zinc/90/28/24/1167902824.db2.gz QKALBWFFVJGKQL-JTQLQIEISA-N -1 1 305.342 0.246 20 0 DCADMM OCC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCOCC1 ZINC001593529266 1167902829 /nfs/dbraw/zinc/90/28/29/1167902829.db2.gz QKALBWFFVJGKQL-JTQLQIEISA-N -1 1 305.342 0.246 20 0 DCADMM OCc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1F ZINC001593535506 1167915819 /nfs/dbraw/zinc/91/58/19/1167915819.db2.gz XIUVNZAUDQPOBO-UHFFFAOYSA-N -1 1 301.285 0.900 20 0 DCADMM OCc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1F ZINC001593535506 1167915822 /nfs/dbraw/zinc/91/58/22/1167915822.db2.gz XIUVNZAUDQPOBO-UHFFFAOYSA-N -1 1 301.285 0.900 20 0 DCADMM Oc1ccccc1-c1nnc(Cn2ccnc2-c2nnn[n-]2)o1 ZINC001593539930 1167920308 /nfs/dbraw/zinc/92/03/08/1167920308.db2.gz JMGSQFLAZBEYBQ-UHFFFAOYSA-N -1 1 310.277 0.867 20 0 DCADMM Oc1ccccc1-c1nnc(Cn2ccnc2-c2nn[n-]n2)o1 ZINC001593539930 1167920319 /nfs/dbraw/zinc/92/03/19/1167920319.db2.gz JMGSQFLAZBEYBQ-UHFFFAOYSA-N -1 1 310.277 0.867 20 0 DCADMM c1cc(-c2nnn[n-]2)nc(N2CCn3c(CC4CC4)nnc3C2)c1 ZINC001593550945 1167932096 /nfs/dbraw/zinc/93/20/96/1167932096.db2.gz DZVNMXSOJIBNGL-UHFFFAOYSA-N -1 1 323.364 0.826 20 0 DCADMM c1cc(-c2nn[n-]n2)nc(N2CCn3c(CC4CC4)nnc3C2)c1 ZINC001593550945 1167932110 /nfs/dbraw/zinc/93/21/10/1167932110.db2.gz DZVNMXSOJIBNGL-UHFFFAOYSA-N -1 1 323.364 0.826 20 0 DCADMM c1cc(NCC2(N3CCOCC3)CC2)nc(-c2nn[n-]n2)c1 ZINC001593557881 1167937787 /nfs/dbraw/zinc/93/77/87/1167937787.db2.gz AGOVHODVNZWONT-UHFFFAOYSA-N -1 1 301.354 0.538 20 0 DCADMM c1cc(N2CCO[C@@]3(CCSC3)C2)nnc1-c1nnn[n-]1 ZINC001593558932 1167938424 /nfs/dbraw/zinc/93/84/24/1167938424.db2.gz PCUXIMISQGCADZ-LBPRGKRZSA-N -1 1 305.367 0.369 20 0 DCADMM c1cc(N2CCO[C@@]3(CCSC3)C2)nnc1-c1nn[n-]n1 ZINC001593558932 1167938437 /nfs/dbraw/zinc/93/84/37/1167938437.db2.gz PCUXIMISQGCADZ-LBPRGKRZSA-N -1 1 305.367 0.369 20 0 DCADMM c1nc(N2CCn3c(CC4CC4)nnc3C2)cnc1-c1nnn[n-]1 ZINC001593591465 1167954033 /nfs/dbraw/zinc/95/40/33/1167954033.db2.gz QVKBSJCLXNVIOI-UHFFFAOYSA-N -1 1 324.352 0.221 20 0 DCADMM c1nc(N2CCn3c(CC4CC4)nnc3C2)cnc1-c1nn[n-]n1 ZINC001593591465 1167954039 /nfs/dbraw/zinc/95/40/39/1167954039.db2.gz QVKBSJCLXNVIOI-UHFFFAOYSA-N -1 1 324.352 0.221 20 0 DCADMM 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/nfs/dbraw/zinc/36/08/13/1169360813.db2.gz PTTXINXXOBVXRX-SNVBAGLBSA-N -1 1 314.353 0.605 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)C(=O)O1 ZINC001603852812 1169412105 /nfs/dbraw/zinc/41/21/05/1169412105.db2.gz GTUKNYGXZUICET-HZGVNTEJSA-N -1 1 303.282 0.087 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)C(=O)O1 ZINC001603852812 1169412107 /nfs/dbraw/zinc/41/21/07/1169412107.db2.gz GTUKNYGXZUICET-HZGVNTEJSA-N -1 1 303.282 0.087 20 0 DCADMM C[C@@H]1CCC[C@H](NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001603885627 1169421157 /nfs/dbraw/zinc/42/11/57/1169421157.db2.gz DODSXOWOLVZHNS-ZJUUUORDSA-N -1 1 319.373 0.336 20 0 DCADMM C[C@@H]1CCC[C@@H](NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001603885623 1169421486 /nfs/dbraw/zinc/42/14/86/1169421486.db2.gz DODSXOWOLVZHNS-NXEZZACHSA-N -1 1 319.373 0.336 20 0 DCADMM CC(C)N1CC[C@H](N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001603887993 1169422833 /nfs/dbraw/zinc/42/28/33/1169422833.db2.gz LTIPAPSINVHWFQ-YPMHNXCESA-N -1 1 321.381 0.623 20 0 DCADMM CC(C)N1CCC[C@@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001603893534 1169423247 /nfs/dbraw/zinc/42/32/47/1169423247.db2.gz LLUDYMBENBPJFY-LLVKDONJSA-N -1 1 304.412 0.786 20 0 DCADMM C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001603902124 1169427584 /nfs/dbraw/zinc/42/75/84/1169427584.db2.gz TVXBBGZDLKIYGG-RKDXNWHRSA-N -1 1 315.337 0.457 20 0 DCADMM C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001603902124 1169427587 /nfs/dbraw/zinc/42/75/87/1169427587.db2.gz TVXBBGZDLKIYGG-RKDXNWHRSA-N -1 1 315.337 0.457 20 0 DCADMM C[C@H]1CCNC(=O)[C@@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001603909210 1169431616 /nfs/dbraw/zinc/43/16/16/1169431616.db2.gz DAHSPFHRZGTOJJ-CRCLSJGQSA-N -1 1 313.774 0.913 20 0 DCADMM C[C@H]1CCNC(=O)[C@@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001603909210 1169431622 /nfs/dbraw/zinc/43/16/22/1169431622.db2.gz DAHSPFHRZGTOJJ-CRCLSJGQSA-N -1 1 313.774 0.913 20 0 DCADMM C[C@H]1[C@@H](C)N(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001603921589 1169435007 /nfs/dbraw/zinc/43/50/07/1169435007.db2.gz PYKSJKPORWJRRT-OPRDCNLKSA-N -1 1 319.373 0.144 20 0 DCADMM C[C@H]1COCC[C@@H]1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603946790 1169445959 /nfs/dbraw/zinc/44/59/59/1169445959.db2.gz JWDTUEVBGLVBNX-GXSJLCMTSA-N -1 1 302.338 0.664 20 0 DCADMM C[C@H]1COCC[C@@H]1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603946790 1169445962 /nfs/dbraw/zinc/44/59/62/1169445962.db2.gz JWDTUEVBGLVBNX-GXSJLCMTSA-N -1 1 302.338 0.664 20 0 DCADMM C[C@H]1OCC[C@@H]1Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001603954191 1169450381 /nfs/dbraw/zinc/45/03/81/1169450381.db2.gz DMHZCRQWXHJUNO-MWLCHTKSSA-N -1 1 301.350 0.942 20 0 DCADMM C[C@H]1OCCN(Cc2cnc3c(-c4nnn[n-]4)cnn3c2)[C@H]1C ZINC001603954914 1169451389 /nfs/dbraw/zinc/45/13/89/1169451389.db2.gz KDLSXAMMUNJDJZ-VHSXEESVSA-N -1 1 314.353 0.519 20 0 DCADMM C[C@H]1OCCN(Cc2cnc3c(-c4nn[n-]n4)cnn3c2)[C@H]1C ZINC001603954914 1169451394 /nfs/dbraw/zinc/45/13/94/1169451394.db2.gz KDLSXAMMUNJDJZ-VHSXEESVSA-N -1 1 314.353 0.519 20 0 DCADMM C[C@@H]1c2nncn2CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603957747 1169453580 /nfs/dbraw/zinc/45/35/80/1169453580.db2.gz BDFRDPATCRXUSU-SSDOTTSWSA-N -1 1 300.282 0.268 20 0 DCADMM C[C@@H]1c2nncn2CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603957747 1169453582 /nfs/dbraw/zinc/45/35/82/1169453582.db2.gz BDFRDPATCRXUSU-SSDOTTSWSA-N -1 1 300.282 0.268 20 0 DCADMM CCC(=O)N(CC)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603967814 1169454796 /nfs/dbraw/zinc/45/47/96/1169454796.db2.gz PUCJMEIOBASUDX-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N(CC)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603967814 1169454803 /nfs/dbraw/zinc/45/48/03/1169454803.db2.gz PUCJMEIOBASUDX-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001603967112 1169455458 /nfs/dbraw/zinc/45/54/58/1169455458.db2.gz GWYDVPPSJIHIBV-LLVKDONJSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001603967112 1169455462 /nfs/dbraw/zinc/45/54/62/1169455462.db2.gz GWYDVPPSJIHIBV-LLVKDONJSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)CNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001603966271 1169455988 /nfs/dbraw/zinc/45/59/88/1169455988.db2.gz ZWGLURCBMGCNRH-UHFFFAOYSA-N -1 1 315.380 0.327 20 0 DCADMM CCC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001603971202 1169457876 /nfs/dbraw/zinc/45/78/76/1169457876.db2.gz BDPVFPSKCRCFFO-SNVBAGLBSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001603971202 1169457882 /nfs/dbraw/zinc/45/78/82/1169457882.db2.gz BDPVFPSKCRCFFO-SNVBAGLBSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001603970732 1169458018 /nfs/dbraw/zinc/45/80/18/1169458018.db2.gz CYNMUJAPIJXKOD-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001603970732 1169458020 /nfs/dbraw/zinc/45/80/20/1169458020.db2.gz CYNMUJAPIJXKOD-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM CCC(C)(C)[C@@H](O)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001603982583 1169462688 /nfs/dbraw/zinc/46/26/88/1169462688.db2.gz DCRGOUVHEDAQIK-VIFPVBQESA-N -1 1 310.383 0.737 20 0 DCADMM CCC(C)(C)[C@@H](O)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001603982583 1169462693 /nfs/dbraw/zinc/46/26/93/1169462693.db2.gz DCRGOUVHEDAQIK-VIFPVBQESA-N -1 1 310.383 0.737 20 0 DCADMM CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)[C@H](O)C(F)F ZINC001604048467 1169480920 /nfs/dbraw/zinc/48/09/20/1169480920.db2.gz CMNGVXYLVATKSL-CBAPKCEASA-N -1 1 315.280 0.903 20 0 DCADMM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)[C@H](O)C(F)F ZINC001604048467 1169480930 /nfs/dbraw/zinc/48/09/30/1169480930.db2.gz CMNGVXYLVATKSL-CBAPKCEASA-N -1 1 315.280 0.903 20 0 DCADMM CC[C@H](O)CCNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001604066973 1169485947 /nfs/dbraw/zinc/48/59/47/1169485947.db2.gz OTNCYMWHLIEXHL-ZETCQYMHSA-N -1 1 311.371 0.914 20 0 DCADMM CCC1(CC)CNC(=O)[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001604085611 1169488328 /nfs/dbraw/zinc/48/83/28/1169488328.db2.gz XQRDSWJBPCPMTK-JTQLQIEISA-N -1 1 302.342 0.373 20 0 DCADMM CCC1(CC)CNC(=O)[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001604085611 1169488334 /nfs/dbraw/zinc/48/83/34/1169488334.db2.gz XQRDSWJBPCPMTK-JTQLQIEISA-N -1 1 302.342 0.373 20 0 DCADMM CCCCC(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001604157627 1169507945 /nfs/dbraw/zinc/50/79/45/1169507945.db2.gz KMSJBDQYZNQZKN-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCCCC(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001604157627 1169507951 /nfs/dbraw/zinc/50/79/51/1169507951.db2.gz KMSJBDQYZNQZKN-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCCCC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001604156879 1169508034 /nfs/dbraw/zinc/50/80/34/1169508034.db2.gz MMORMCXCLAXQKP-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCCCC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001604156879 1169508038 /nfs/dbraw/zinc/50/80/38/1169508038.db2.gz MMORMCXCLAXQKP-UHFFFAOYSA-N -1 1 318.385 0.742 20 0 DCADMM CCC/C=C/[C@H](O)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001604156650 1169508095 /nfs/dbraw/zinc/50/80/95/1169508095.db2.gz DYZVVORKEKTXMV-ITKZLYELSA-N -1 1 302.338 0.595 20 0 DCADMM CCC/C=C/[C@H](O)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001604156650 1169508102 /nfs/dbraw/zinc/50/81/02/1169508102.db2.gz DYZVVORKEKTXMV-ITKZLYELSA-N -1 1 302.338 0.595 20 0 DCADMM C[C@@H](CN1CCOCC1)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001604167733 1169510238 /nfs/dbraw/zinc/51/02/38/1169510238.db2.gz QYGDSIAQMXKMFD-GXTWGEPZSA-N -1 1 321.377 0.162 20 0 DCADMM C[C@@H](CNS(=O)(=O)C1(C(=O)[O-])CCC1)N1CCCCC1 ZINC001604186060 1169517319 /nfs/dbraw/zinc/51/73/19/1169517319.db2.gz NUCLKCMRPNVCOX-NSHDSACASA-N -1 1 304.412 0.788 20 0 DCADMM C[C@H](COC(=O)Cn1cc(C(=O)[O-])cn1)CN1CCOCC1 ZINC001604202120 1169523853 /nfs/dbraw/zinc/52/38/53/1169523853.db2.gz JTZKQRLLHOWOKN-NSHDSACASA-N -1 1 311.338 0.093 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)C1=NN(C)CC1=O ZINC001604276503 1169542895 /nfs/dbraw/zinc/54/28/95/1169542895.db2.gz BKXZZWKZFVNJQG-QMMMGPOBSA-N -1 1 304.306 0.639 20 0 DCADMM C[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccn(C)n1 ZINC001604281754 1169547279 /nfs/dbraw/zinc/54/72/79/1169547279.db2.gz GWESVLLSTHQBHG-NWDGAFQWSA-N -1 1 323.397 0.672 20 0 DCADMM CCN(CCNC(=O)CC1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001604303860 1169551553 /nfs/dbraw/zinc/55/15/53/1169551553.db2.gz FJEBOJRXRNXZOR-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN1C[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)CC1=O ZINC001604336050 1169556317 /nfs/dbraw/zinc/55/63/17/1169556317.db2.gz NOPYFUKTEBUOLO-ZETCQYMHSA-N -1 1 306.351 0.279 20 0 DCADMM CCN1C[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)CC1=O ZINC001604336050 1169556320 /nfs/dbraw/zinc/55/63/20/1169556320.db2.gz NOPYFUKTEBUOLO-ZETCQYMHSA-N -1 1 306.351 0.279 20 0 DCADMM CCN1CCC[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1=O ZINC001604341403 1169558532 /nfs/dbraw/zinc/55/85/32/1169558532.db2.gz SGAISXNTOREMJI-VIFPVBQESA-N -1 1 320.378 0.669 20 0 DCADMM CCN1CCC[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1=O ZINC001604341403 1169558538 /nfs/dbraw/zinc/55/85/38/1169558538.db2.gz SGAISXNTOREMJI-VIFPVBQESA-N -1 1 320.378 0.669 20 0 DCADMM CCN1CCOC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001604345878 1169563724 /nfs/dbraw/zinc/56/37/24/1169563724.db2.gz MBVAODAYFQBEEY-JTQLQIEISA-N -1 1 322.394 0.265 20 0 DCADMM CCOC(=O)C(C)(C)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604363365 1169568168 /nfs/dbraw/zinc/56/81/68/1169568168.db2.gz ZEKWMHVEOHAUKH-UHFFFAOYSA-N -1 1 318.337 0.262 20 0 DCADMM CCOC(=O)C(C)(C)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604363365 1169568175 /nfs/dbraw/zinc/56/81/75/1169568175.db2.gz ZEKWMHVEOHAUKH-UHFFFAOYSA-N -1 1 318.337 0.262 20 0 DCADMM CCOC(=O)CN(CC)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604375495 1169575272 /nfs/dbraw/zinc/57/52/72/1169575272.db2.gz DEAYNDRZDDBLHQ-UHFFFAOYSA-N -1 1 304.310 0.287 20 0 DCADMM CCOC(=O)CN(CC)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604375495 1169575278 /nfs/dbraw/zinc/57/52/78/1169575278.db2.gz DEAYNDRZDDBLHQ-UHFFFAOYSA-N -1 1 304.310 0.287 20 0 DCADMM C[C@@H](OC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(=O)NCC(=O)[O-] ZINC001604395343 1169581538 /nfs/dbraw/zinc/58/15/38/1169581538.db2.gz XPXKRAMHLVWNPY-OTYXRUKQSA-N -1 1 318.345 0.331 20 0 DCADMM CCOC(=O)c1nnn(Cc2ccc(-c3nnn[n-]3)o2)c1C ZINC001604392609 1169581829 /nfs/dbraw/zinc/58/18/29/1169581829.db2.gz IQNQQWXUZPCWSJ-UHFFFAOYSA-N -1 1 303.282 0.585 20 0 DCADMM CCOC(=O)c1nnn(Cc2ccc(-c3nn[n-]n3)o2)c1C ZINC001604392609 1169581836 /nfs/dbraw/zinc/58/18/36/1169581836.db2.gz IQNQQWXUZPCWSJ-UHFFFAOYSA-N -1 1 303.282 0.585 20 0 DCADMM CCO[C@@H]1C[C@@](O)(CNc2ccnc(-c3nnn[n-]3)c2)C1(C)C ZINC001604416886 1169588083 /nfs/dbraw/zinc/58/80/83/1169588083.db2.gz KUYIMYTUCWJGNM-IUODEOHRSA-N -1 1 318.381 0.662 20 0 DCADMM CCO[C@@H]1C[C@@](O)(CNc2ccnc(-c3nn[n-]n3)c2)C1(C)C ZINC001604416886 1169588087 /nfs/dbraw/zinc/58/80/87/1169588087.db2.gz KUYIMYTUCWJGNM-IUODEOHRSA-N -1 1 318.381 0.662 20 0 DCADMM CCOC[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001604421150 1169590965 /nfs/dbraw/zinc/59/09/65/1169590965.db2.gz DYYPDTZTHBAVCS-NXEZZACHSA-N -1 1 322.373 0.197 20 0 DCADMM CCOCCOC[C@@H](O)CNc1cccnc1-c1nnn[n-]1 ZINC001604434377 1169591683 /nfs/dbraw/zinc/59/16/83/1169591683.db2.gz KVEZZPKUYFRGRY-JTQLQIEISA-N -1 1 308.342 0.088 20 0 DCADMM CCOCCOC[C@@H](O)CNc1cccnc1-c1nn[n-]n1 ZINC001604434377 1169591687 /nfs/dbraw/zinc/59/16/87/1169591687.db2.gz KVEZZPKUYFRGRY-JTQLQIEISA-N -1 1 308.342 0.088 20 0 DCADMM CCc1ccc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)nc1 ZINC001604524558 1169608921 /nfs/dbraw/zinc/60/89/21/1169608921.db2.gz RSWAJTLTZLZXQH-QMMMGPOBSA-N -1 1 313.325 0.615 20 0 DCADMM CCc1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)n(C)n1 ZINC001604517122 1169608931 /nfs/dbraw/zinc/60/89/31/1169608931.db2.gz GGVOVJJOLXMURS-UHFFFAOYSA-N -1 1 313.321 0.915 20 0 DCADMM CCc1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)n(C)n1 ZINC001604517122 1169608935 /nfs/dbraw/zinc/60/89/35/1169608935.db2.gz GGVOVJJOLXMURS-UHFFFAOYSA-N -1 1 313.321 0.915 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H](C)NC(C)=O)n1 ZINC001604543456 1169612487 /nfs/dbraw/zinc/61/24/87/1169612487.db2.gz VGIPZNXYXFCGDB-QMMMGPOBSA-N -1 1 304.358 0.180 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H](C)NC(C)=O)n1 ZINC001604543456 1169612492 /nfs/dbraw/zinc/61/24/92/1169612492.db2.gz VGIPZNXYXFCGDB-QMMMGPOBSA-N -1 1 304.358 0.180 20 0 DCADMM CCc1nc(NC[C@]2(O)CCSC2)cc(-c2nnn[n-]2)n1 ZINC001604563123 1169618619 /nfs/dbraw/zinc/61/86/19/1169618619.db2.gz ILRRVDVDWTUSQM-GFCCVEGCSA-N -1 1 307.383 0.499 20 0 DCADMM CCc1nc(NC[C@]2(O)CCSC2)cc(-c2nn[n-]n2)n1 ZINC001604563123 1169618622 /nfs/dbraw/zinc/61/86/22/1169618622.db2.gz ILRRVDVDWTUSQM-GFCCVEGCSA-N -1 1 307.383 0.499 20 0 DCADMM CCc1nc(NC[C@]2(O)CCO[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001604563240 1169618738 /nfs/dbraw/zinc/61/87/38/1169618738.db2.gz LRMQOZPESZHKFN-ISVAXAHUSA-N -1 1 305.342 0.171 20 0 DCADMM CCc1nc(NC[C@]2(O)CCO[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001604563240 1169618742 /nfs/dbraw/zinc/61/87/42/1169618742.db2.gz LRMQOZPESZHKFN-ISVAXAHUSA-N -1 1 305.342 0.171 20 0 DCADMM CCc1nc(NCc2cnn(CC)n2)cc(-c2nnn[n-]2)n1 ZINC001604569869 1169620537 /nfs/dbraw/zinc/62/05/37/1169620537.db2.gz 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/nfs/dbraw/zinc/96/57/59/1169965759.db2.gz MFQSBGIMUHBQGG-UHFFFAOYSA-N -1 1 309.240 0.898 20 0 DCADMM Cc1cc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)ccn1 ZINC001605663966 1169983653 /nfs/dbraw/zinc/98/36/53/1169983653.db2.gz XKVFNSGBHJIZHA-SECBINFHSA-N -1 1 314.309 0.466 20 0 DCADMM Cc1cc(NC[C@]2(OCCO)CCOC2)cc(-c2nnn[n-]2)n1 ZINC001605729283 1169993433 /nfs/dbraw/zinc/99/34/33/1169993433.db2.gz AYHRCTGZNRYFPF-CQSZACIVSA-N -1 1 320.353 0.150 20 0 DCADMM Cc1cc(NC[C@]2(OCCO)CCOC2)cc(-c2nn[n-]n2)n1 ZINC001605729283 1169993440 /nfs/dbraw/zinc/99/34/40/1169993440.db2.gz AYHRCTGZNRYFPF-CQSZACIVSA-N -1 1 320.353 0.150 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NC1CC[NH+](CC(=O)[O-])CC1 ZINC001605804399 1170006265 /nfs/dbraw/zinc/00/62/65/1170006265.db2.gz KUGKECCKYLJPHK-UHFFFAOYSA-N -1 1 317.353 0.531 20 0 DCADMM Cc1ccc(N2CCO[C@H]([C@H]3CCCO3)C2)c(-c2nnn[n-]2)n1 ZINC001605867286 1170016409 /nfs/dbraw/zinc/01/64/09/1170016409.db2.gz HJFVCTRMUAGBHQ-OLZOCXBDSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CCO[C@H]([C@H]3CCCO3)C2)c(-c2nn[n-]n2)n1 ZINC001605867286 1170016410 /nfs/dbraw/zinc/01/64/10/1170016410.db2.gz HJFVCTRMUAGBHQ-OLZOCXBDSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(NCc2nnn(C(C)(C)C)n2)nc1-c1nnn[n-]1 ZINC001605875699 1170019160 /nfs/dbraw/zinc/01/91/60/1170019160.db2.gz WTKUNUHMRXNDSG-UHFFFAOYSA-N -1 1 314.357 0.924 20 0 DCADMM Cc1ccc(NCc2nnn(C(C)(C)C)n2)nc1-c1nn[n-]n1 ZINC001605875699 1170019166 /nfs/dbraw/zinc/01/91/66/1170019166.db2.gz WTKUNUHMRXNDSG-UHFFFAOYSA-N -1 1 314.357 0.924 20 0 DCADMM Cc1ccc(NCCCn2cc(CO)nn2)nc1-c1nnn[n-]1 ZINC001605873711 1170019803 /nfs/dbraw/zinc/01/98/03/1170019803.db2.gz HFBKLOCWRYIUDW-UHFFFAOYSA-N -1 1 315.341 0.156 20 0 DCADMM Cc1ccc(NCCCn2cc(CO)nn2)nc1-c1nn[n-]n1 ZINC001605873711 1170019805 /nfs/dbraw/zinc/01/98/05/1170019805.db2.gz HFBKLOCWRYIUDW-UHFFFAOYSA-N -1 1 315.341 0.156 20 0 DCADMM CCn1cc(CNCc2cc(C)c(C(=O)[O-])[nH]2)c(=O)[nH]c1=O ZINC001605922518 1170027923 /nfs/dbraw/zinc/02/79/23/1170027923.db2.gz RYUHJTDFXROJQK-UHFFFAOYSA-N -1 1 306.322 0.593 20 0 DCADMM CCn1cc(CNC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nn1 ZINC001605922119 1170028179 /nfs/dbraw/zinc/02/81/79/1170028179.db2.gz JXIHKGCNNBFYPQ-OLZOCXBDSA-N -1 1 321.381 0.099 20 0 DCADMM Cc1[nH]nc(NC(=O)CCCC(=O)NC(C)C)c1-c1nn[n-]n1 ZINC001606012968 1170049308 /nfs/dbraw/zinc/04/93/08/1170049308.db2.gz CNCNDGDTSHEOCT-UHFFFAOYSA-N -1 1 320.357 0.532 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC(CC(N)=O)CC2)n1 ZINC001606020080 1170052224 /nfs/dbraw/zinc/05/22/24/1170052224.db2.gz RIWHRUWJDNGFMS-UHFFFAOYSA-N -1 1 302.342 0.057 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC(CC(N)=O)CC2)n1 ZINC001606020080 1170052232 /nfs/dbraw/zinc/05/22/32/1170052232.db2.gz RIWHRUWJDNGFMS-UHFFFAOYSA-N -1 1 302.342 0.057 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](O)CC(C)(C)C2)n1 ZINC001606020091 1170053483 /nfs/dbraw/zinc/05/34/83/1170053483.db2.gz RWQZRKDCAZVRQD-JTQLQIEISA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](O)CC(C)(C)C2)n1 ZINC001606020091 1170053479 /nfs/dbraw/zinc/05/34/79/1170053479.db2.gz RWQZRKDCAZVRQD-JTQLQIEISA-N -1 1 303.370 0.952 20 0 DCADMM Cc1nc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)oc2C)no1 ZINC001606034521 1170060247 /nfs/dbraw/zinc/06/02/47/1170060247.db2.gz APCKKGOCYIVKBF-RXMQYKEDSA-N -1 1 303.282 0.951 20 0 DCADMM Cc1nc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)no1 ZINC001606034521 1170060250 /nfs/dbraw/zinc/06/02/50/1170060250.db2.gz APCKKGOCYIVKBF-RXMQYKEDSA-N -1 1 303.282 0.951 20 0 DCADMM Cc1nc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2ccccn12 ZINC001606034890 1170060753 /nfs/dbraw/zinc/06/07/53/1170060753.db2.gz IZOTZPULQMXTGF-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1nc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2ccccn12 ZINC001606034890 1170060759 /nfs/dbraw/zinc/06/07/59/1170060759.db2.gz IZOTZPULQMXTGF-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM CN(C)Cc1ccsc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001606036635 1170062454 /nfs/dbraw/zinc/06/24/54/1170062454.db2.gz RRJWCUGBHJVGAH-MNOVXSKESA-N -1 1 312.391 0.717 20 0 DCADMM Cc1nc(N[C@@H]2CC[C@@H]([S@](C)=O)C2)cc(-c2nnn[n-]2)n1 ZINC001606063442 1170067709 /nfs/dbraw/zinc/06/77/09/1170067709.db2.gz PFLYPEWXZIIXOY-FQJNGZCASA-N -1 1 307.383 0.677 20 0 DCADMM Cc1nc(N[C@@H]2CC[C@@H]([S@](C)=O)C2)cc(-c2nn[n-]n2)n1 ZINC001606063442 1170067713 /nfs/dbraw/zinc/06/77/13/1170067713.db2.gz PFLYPEWXZIIXOY-FQJNGZCASA-N -1 1 307.383 0.677 20 0 DCADMM Cc1nc(N[C@H]2CCS(=O)(=O)[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001606067855 1170069809 /nfs/dbraw/zinc/06/98/09/1170069809.db2.gz ZQCVRVJNVKZQME-APPZFPTMSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1nc(N[C@H]2CCS(=O)(=O)[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001606067855 1170069814 /nfs/dbraw/zinc/06/98/14/1170069814.db2.gz ZQCVRVJNVKZQME-APPZFPTMSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1ncsc1CCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606103791 1170078022 /nfs/dbraw/zinc/07/80/22/1170078022.db2.gz RVMAFYLGAFYPFA-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nn(C)c(NC(=O)c2nn(C)cc2Cl)c1-c1nnn[n-]1 ZINC001606113057 1170079306 /nfs/dbraw/zinc/07/93/06/1170079306.db2.gz VVGXCFTVKPRLRD-UHFFFAOYSA-N -1 1 321.732 0.548 20 0 DCADMM Cc1nn(C)c(NC(=O)c2nn(C)cc2Cl)c1-c1nn[n-]n1 ZINC001606113057 1170079312 /nfs/dbraw/zinc/07/93/12/1170079312.db2.gz VVGXCFTVKPRLRD-UHFFFAOYSA-N -1 1 321.732 0.548 20 0 DCADMM Cc1nn(C)c(Cl)c1CN(C)c1ncncc1-c1nn[n-]n1 ZINC001606109543 1170080186 /nfs/dbraw/zinc/08/01/86/1170080186.db2.gz LKTBNUBFHWRICN-UHFFFAOYSA-N -1 1 319.760 0.988 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2cccc(-c3nnn[n-]3)n2)o1 ZINC001606118799 1170081052 /nfs/dbraw/zinc/08/10/52/1170081052.db2.gz RCLZBFSTCCPBNQ-UHFFFAOYSA-N -1 1 300.282 0.225 20 0 DCADMM Cc1nnc(CN(C)C(=O)c2cccc(-c3nn[n-]n3)n2)o1 ZINC001606118799 1170081057 /nfs/dbraw/zinc/08/10/57/1170081057.db2.gz RCLZBFSTCCPBNQ-UHFFFAOYSA-N -1 1 300.282 0.225 20 0 DCADMM Cc1nnc2n1CCN(C(=O)c1ccc(-c3nnn[n-]3)o1)[C@@H]2C ZINC001606125175 1170084751 /nfs/dbraw/zinc/08/47/51/1170084751.db2.gz XEPJPUVSNSFQLJ-SSDOTTSWSA-N -1 1 314.309 0.577 20 0 DCADMM Cc1nnc2n1CCN(C(=O)c1ccc(-c3nn[n-]n3)o1)[C@@H]2C ZINC001606125175 1170084756 /nfs/dbraw/zinc/08/47/56/1170084756.db2.gz XEPJPUVSNSFQLJ-SSDOTTSWSA-N -1 1 314.309 0.577 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2C[C@H](C)OC2=O)c1-c1nnn[n-]1 ZINC001606151997 1170096594 /nfs/dbraw/zinc/09/65/94/1170096594.db2.gz MAMXTTLDAUIQCR-UJURSFKZSA-N -1 1 323.338 0.457 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H]2C[C@H](C)OC2=O)c1-c1nn[n-]n1 ZINC001606151997 1170096600 /nfs/dbraw/zinc/09/66/00/1170096600.db2.gz MAMXTTLDAUIQCR-UJURSFKZSA-N -1 1 323.338 0.457 20 0 DCADMM Cc1nsc(NCC[C@]2(O)CCCOC2)c1-c1nn[n-]n1 ZINC001606159531 1170098128 /nfs/dbraw/zinc/09/81/28/1170098128.db2.gz YUEBZGBSYZWHKI-GFCCVEGCSA-N -1 1 310.383 0.975 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1nncn1C ZINC001606166928 1170099255 /nfs/dbraw/zinc/09/92/55/1170099255.db2.gz ICGJSYADIVEFMR-ZCFIWIBFSA-N -1 1 302.298 0.388 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1nncn1C ZINC001606166928 1170099261 /nfs/dbraw/zinc/09/92/61/1170099261.db2.gz ICGJSYADIVEFMR-ZCFIWIBFSA-N -1 1 302.298 0.388 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)[C@@H](O)C(F)(F)F ZINC001606167275 1170100638 /nfs/dbraw/zinc/10/06/38/1170100638.db2.gz KKNSHKJICVNMAR-SPGJFGJESA-N -1 1 319.243 0.810 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)[C@@H](O)C(F)(F)F ZINC001606167275 1170100643 /nfs/dbraw/zinc/10/06/43/1170100643.db2.gz KKNSHKJICVNMAR-SPGJFGJESA-N -1 1 319.243 0.810 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCn2nncc2C1 ZINC001606166400 1170101557 /nfs/dbraw/zinc/10/15/57/1170101557.db2.gz RCGBHWWDAACISZ-UHFFFAOYSA-N -1 1 314.309 0.406 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCn2nncc2C1 ZINC001606166400 1170101562 /nfs/dbraw/zinc/10/15/62/1170101562.db2.gz RCGBHWWDAACISZ-UHFFFAOYSA-N -1 1 314.309 0.406 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCc1ccn(C)n1 ZINC001606170520 1170102194 /nfs/dbraw/zinc/10/21/94/1170102194.db2.gz FHXLZDPQNXQBFN-UHFFFAOYSA-N -1 1 302.294 0.901 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCc1ccn(C)n1 ZINC001606170520 1170102201 /nfs/dbraw/zinc/10/22/01/1170102201.db2.gz FHXLZDPQNXQBFN-UHFFFAOYSA-N -1 1 302.294 0.901 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H]2[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC001606180230 1170103933 /nfs/dbraw/zinc/10/39/33/1170103933.db2.gz LGUZPOQAUHPAID-KKZNHRDASA-N -1 1 318.337 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@H]2[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001606180230 1170103940 /nfs/dbraw/zinc/10/39/40/1170103940.db2.gz LGUZPOQAUHPAID-KKZNHRDASA-N -1 1 318.337 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)c1-c1nnn[n-]1 ZINC001606180030 1170104249 /nfs/dbraw/zinc/10/42/49/1170104249.db2.gz VWIHPQURVCWIKF-BKPPORCPSA-N -1 1 306.326 0.388 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)c1-c1nn[n-]n1 ZINC001606180030 1170104252 /nfs/dbraw/zinc/10/42/52/1170104252.db2.gz VWIHPQURVCWIKF-BKPPORCPSA-N -1 1 306.326 0.388 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Cl)cc2)c1=O ZINC001606221373 1170120392 /nfs/dbraw/zinc/12/03/92/1170120392.db2.gz CVWVPYBZWRZKMR-UHFFFAOYSA-N -1 1 318.724 0.429 20 0 DCADMM Cn1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(C(F)F)n1 ZINC001606232375 1170126040 /nfs/dbraw/zinc/12/60/40/1170126040.db2.gz OFPRYLHVVSKIAZ-UHFFFAOYSA-N -1 1 309.240 0.005 20 0 DCADMM Cn1ccc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)n1 ZINC001606245640 1170136403 /nfs/dbraw/zinc/13/64/03/1170136403.db2.gz DMLHAUVYPKPWJX-UHFFFAOYSA-N -1 1 310.321 0.588 20 0 DCADMM CNC(=O)Cc1noc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])n1 ZINC001606277954 1170145092 /nfs/dbraw/zinc/14/50/92/1170145092.db2.gz WCQFBUPZFVGVAX-MWODSPESSA-N -1 1 308.338 0.043 20 0 DCADMM NC(=O)[C@@H](NCc1csc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001606401721 1170185403 /nfs/dbraw/zinc/18/54/03/1170185403.db2.gz ADXWJEKMWFVGOI-NSHDSACASA-N -1 1 315.362 0.639 20 0 DCADMM COC(=O)[C@H]1CCN(Cc2cncc(OC)c2)[C@H](C(=O)[O-])C1 ZINC001606414704 1170191504 /nfs/dbraw/zinc/19/15/04/1170191504.db2.gz WNRZFNWWFLUGKK-AAEUAGOBSA-N -1 1 308.334 0.928 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ncc2c(F)cccn21 ZINC001606446231 1170206075 /nfs/dbraw/zinc/20/60/75/1170206075.db2.gz JXKPGZGAIKHEEZ-UHFFFAOYSA-N -1 1 313.256 0.121 20 0 DCADMM COC(=O)CCS(=O)(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001606454697 1170209739 /nfs/dbraw/zinc/20/97/39/1170209739.db2.gz HCWPPQQBRAGXMK-UHFFFAOYSA-N -1 1 319.339 0.008 20 0 DCADMM O=C(CC1CCC1)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001606498364 1170221177 /nfs/dbraw/zinc/22/11/77/1170221177.db2.gz DVFRUPROXLVPTJ-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM O=C(CC1CCC1)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001606498364 1170221179 /nfs/dbraw/zinc/22/11/79/1170221179.db2.gz DVFRUPROXLVPTJ-UHFFFAOYSA-N -1 1 316.369 0.765 20 0 DCADMM COC(=O)[C@@H]1CN(CN2CC[C@]3(C(=O)[O-])CCC[C@H]23)C(=O)O1 ZINC001606510581 1170224917 /nfs/dbraw/zinc/22/49/17/1170224917.db2.gz JBPMCYBENXSYQH-PKFCDNJMSA-N -1 1 312.322 0.267 20 0 DCADMM O=C(COc1ccc(F)nc1-c1nn[n-]n1)NC[C@@H]1CCCO1 ZINC001606571903 1170236747 /nfs/dbraw/zinc/23/67/47/1170236747.db2.gz GPRMECOCDMWVBL-QMMMGPOBSA-N -1 1 322.300 0.075 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@H]1C(F)(F)F ZINC001606593933 1170238600 /nfs/dbraw/zinc/23/86/00/1170238600.db2.gz AMIHOKUZRCOWEJ-VIFPVBQESA-N -1 1 312.255 0.967 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@H]1C(F)(F)F ZINC001606593933 1170238606 /nfs/dbraw/zinc/23/86/06/1170238606.db2.gz AMIHOKUZRCOWEJ-VIFPVBQESA-N -1 1 312.255 0.967 20 0 DCADMM O=C(Cc1cc(F)ccc1O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606591369 1170239360 /nfs/dbraw/zinc/23/93/60/1170239360.db2.gz NHLMQJKAIGRRAG-UHFFFAOYSA-N -1 1 303.257 0.616 20 0 DCADMM O=C(Cc1cc(F)ccc1O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606591369 1170239363 /nfs/dbraw/zinc/23/93/63/1170239363.db2.gz NHLMQJKAIGRRAG-UHFFFAOYSA-N -1 1 303.257 0.616 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCC[C@H]1CCO ZINC001606595552 1170240705 /nfs/dbraw/zinc/24/07/05/1170240705.db2.gz ZCJRADRXYVWEPX-NWDGAFQWSA-N -1 1 316.365 0.472 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCC[C@H]1CCO ZINC001606595552 1170240712 /nfs/dbraw/zinc/24/07/12/1170240712.db2.gz ZCJRADRXYVWEPX-NWDGAFQWSA-N -1 1 316.365 0.472 20 0 DCADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)OCc1ccccc1 ZINC001606619186 1170243458 /nfs/dbraw/zinc/24/34/58/1170243458.db2.gz RIRVTHXCTXOCDE-UHFFFAOYSA-N -1 1 311.301 0.772 20 0 DCADMM O=C(Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O)[C@H]1Cc2ccccc21 ZINC001606615282 1170244332 /nfs/dbraw/zinc/24/43/32/1170244332.db2.gz NABBEHHLFCGNTQ-JTQLQIEISA-N -1 1 324.300 0.038 20 0 DCADMM O=C(N[C@H](CO)c1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606635851 1170249695 /nfs/dbraw/zinc/24/96/95/1170249695.db2.gz XPHPDPKTAUUQFS-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@H](CO)c1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606635851 1170249703 /nfs/dbraw/zinc/24/97/03/1170249703.db2.gz XPHPDPKTAUUQFS-GFCCVEGCSA-N -1 1 311.305 0.120 20 0 DCADMM O=C(N[C@H]1CCC[C@H]1CCO)c1ccc(-c2nnn[n-]2)nc1 ZINC001606667204 1170255335 /nfs/dbraw/zinc/25/53/35/1170255335.db2.gz JSRPYPJHQUDMMK-ONGXEEELSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CCC[C@H]1CCO)c1ccc(-c2nn[n-]n2)nc1 ZINC001606667204 1170255342 /nfs/dbraw/zinc/25/53/42/1170255342.db2.gz JSRPYPJHQUDMMK-ONGXEEELSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@H]1CCc2n[nH]cc2C1)c1ccsc1-c1nnn[n-]1 ZINC001606682539 1170261708 /nfs/dbraw/zinc/26/17/08/1170261708.db2.gz GDCZSFKXCFWACC-QMMMGPOBSA-N -1 1 315.362 0.939 20 0 DCADMM O=C(N[C@H]1CCc2n[nH]cc2C1)c1ccsc1-c1nn[n-]n1 ZINC001606682539 1170261711 /nfs/dbraw/zinc/26/17/11/1170261711.db2.gz GDCZSFKXCFWACC-QMMMGPOBSA-N -1 1 315.362 0.939 20 0 DCADMM CO[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606743181 1170276764 /nfs/dbraw/zinc/27/67/64/1170276764.db2.gz XAVMGVYLUGBHQP-VXNVDRBHSA-N -1 1 304.324 0.466 20 0 DCADMM O=C(NC[C@H]1COC2(CCCC2)O1)c1ccc(-c2nnn[n-]2)o1 ZINC001606749263 1170278329 /nfs/dbraw/zinc/27/83/29/1170278329.db2.gz IACZGMNJVOHZPJ-VIFPVBQESA-N -1 1 319.321 0.875 20 0 DCADMM O=C(NC[C@H]1COC2(CCCC2)O1)c1ccc(-c2nn[n-]n2)o1 ZINC001606749263 1170278333 /nfs/dbraw/zinc/27/83/33/1170278333.db2.gz IACZGMNJVOHZPJ-VIFPVBQESA-N -1 1 319.321 0.875 20 0 DCADMM O=C(NCCCNc1ccnc(-c2nn[n-]n2)n1)C1=CCCC1 ZINC001606770442 1170283128 /nfs/dbraw/zinc/28/31/28/1170283128.db2.gz YSIFOAATFNHRCD-UHFFFAOYSA-N -1 1 314.353 0.107 20 0 DCADMM O=C(NCCOC[C@@H]1CCCO1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606786796 1170290106 /nfs/dbraw/zinc/29/01/06/1170290106.db2.gz IUYFWGPYADFZCK-NSHDSACASA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCOC[C@@H]1CCCO1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606786796 1170290109 /nfs/dbraw/zinc/29/01/09/1170290109.db2.gz IUYFWGPYADFZCK-NSHDSACASA-N -1 1 318.337 0.187 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)NCC1=CCCCC1 ZINC001606802130 1170294579 /nfs/dbraw/zinc/29/45/79/1170294579.db2.gz DKXXJTJUFZCLLP-UHFFFAOYSA-N -1 1 317.357 0.258 20 0 DCADMM COC[C@@H](NC(=O)c1ccc(C=CC(=O)[O-])o1)c1nn[nH]n1 ZINC001606812479 1170297517 /nfs/dbraw/zinc/29/75/17/1170297517.db2.gz GPDMOHDOAASLKV-RYEJSQLPSA-N -1 1 307.266 0.008 20 0 DCADMM COC[C@@]1(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CNCCO1 ZINC001606825110 1170302762 /nfs/dbraw/zinc/30/27/62/1170302762.db2.gz ZNGQSSZRGLXFLJ-OAHLLOKOSA-N -1 1 308.334 0.637 20 0 DCADMM COC[C@]1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CNCCO1 ZINC001606824656 1170303376 /nfs/dbraw/zinc/30/33/76/1170303376.db2.gz SNLPOPSVTCBDBE-INIZCTEOSA-N -1 1 322.361 0.647 20 0 DCADMM O=C(N[C@H]1CCCNC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001606879651 1170320587 /nfs/dbraw/zinc/32/05/87/1170320587.db2.gz XMXZELYFNNNLDX-VIFPVBQESA-N -1 1 304.285 0.014 20 0 DCADMM O=C(N[C@H]1CCCNC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001606879651 1170320589 /nfs/dbraw/zinc/32/05/89/1170320589.db2.gz XMXZELYFNNNLDX-VIFPVBQESA-N -1 1 304.285 0.014 20 0 DCADMM O=C(N[C@H](CO)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001606880053 1170320847 /nfs/dbraw/zinc/32/08/47/1170320847.db2.gz VYGMSPNKXUAUPZ-ZCFIWIBFSA-N -1 1 307.257 0.581 20 0 DCADMM O=C(N[C@H](CO)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001606880053 1170320851 /nfs/dbraw/zinc/32/08/51/1170320851.db2.gz VYGMSPNKXUAUPZ-ZCFIWIBFSA-N -1 1 307.257 0.581 20 0 DCADMM COCCO[C@H]1COCC[C@H]1NCc1ncc(C(=O)[O-])s1 ZINC001606901374 1170326761 /nfs/dbraw/zinc/32/67/61/1170326761.db2.gz YANYSHMSDVANMR-ZJUUUORDSA-N -1 1 316.379 0.751 20 0 DCADMM O=C(Nc1cc(F)cc(-c2nn[nH]n2)c1)c1cnncc1[O-] ZINC001606904047 1170329053 /nfs/dbraw/zinc/32/90/53/1170329053.db2.gz XCCBOOWTLJKPKU-UHFFFAOYSA-N -1 1 301.241 0.754 20 0 DCADMM COC[C@H](N)C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001606937633 1170333893 /nfs/dbraw/zinc/33/38/93/1170333893.db2.gz BSYROAPEJXFMCH-VHSXEESVSA-N -1 1 320.267 0.921 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)C(F)(F)C1CCOCC1 ZINC001606944670 1170336259 /nfs/dbraw/zinc/33/62/59/1170336259.db2.gz ARCFEZTUTFSCOV-UHFFFAOYSA-N -1 1 313.268 0.590 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCn2cncc2C1 ZINC001606953269 1170339073 /nfs/dbraw/zinc/33/90/73/1170339073.db2.gz MPMUAJAMOUXBPN-SSDOTTSWSA-N -1 1 316.350 0.721 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCn2cncc2C1 ZINC001606953269 1170339079 /nfs/dbraw/zinc/33/90/79/1170339079.db2.gz MPMUAJAMOUXBPN-SSDOTTSWSA-N -1 1 316.350 0.721 20 0 DCADMM O=C(COC(=O)c1csc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC001606965546 1170342955 /nfs/dbraw/zinc/34/29/55/1170342955.db2.gz SINDHLNDNLZTCR-UHFFFAOYSA-N -1 1 321.318 0.234 20 0 DCADMM O=C(COC(=O)c1csc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC001606965546 1170342963 /nfs/dbraw/zinc/34/29/63/1170342963.db2.gz SINDHLNDNLZTCR-UHFFFAOYSA-N -1 1 321.318 0.234 20 0 DCADMM COCc1nc(CNC(=O)Cc2ccccc2C(=O)[O-])n[nH]1 ZINC001606982785 1170345042 /nfs/dbraw/zinc/34/50/42/1170345042.db2.gz ZQSBSCDIUBMOLG-UHFFFAOYSA-N -1 1 304.306 0.508 20 0 DCADMM COCc1nnc(CNC(=O)Cc2ccccc2C(=O)[O-])[nH]1 ZINC001606982785 1170345048 /nfs/dbraw/zinc/34/50/48/1170345048.db2.gz ZQSBSCDIUBMOLG-UHFFFAOYSA-N -1 1 304.306 0.508 20 0 DCADMM CON1CCC(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)CC1 ZINC001606994783 1170348000 /nfs/dbraw/zinc/34/80/00/1170348000.db2.gz CLPORKFCCRABFN-LBPRGKRZSA-N -1 1 313.398 0.267 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCn2cncc2C1 ZINC001607017270 1170355032 /nfs/dbraw/zinc/35/50/32/1170355032.db2.gz TVUBMPFZYWMQIM-UHFFFAOYSA-N -1 1 301.335 0.781 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](C(F)F)CC1 ZINC001607017152 1170355256 /nfs/dbraw/zinc/35/52/56/1170355256.db2.gz MAESVLLJHDLOLC-JTQLQIEISA-N -1 1 324.291 0.758 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](C(F)F)CC1 ZINC001607017152 1170355264 /nfs/dbraw/zinc/35/52/64/1170355264.db2.gz MAESVLLJHDLOLC-JTQLQIEISA-N -1 1 324.291 0.758 20 0 DCADMM O=C1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1CC1CC1 ZINC001607041308 1170365127 /nfs/dbraw/zinc/36/51/27/1170365127.db2.gz XNQWYHHPPWALCK-SECBINFHSA-N -1 1 300.326 0.080 20 0 DCADMM O=C1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1CC1CC1 ZINC001607041308 1170365129 /nfs/dbraw/zinc/36/51/29/1170365129.db2.gz XNQWYHHPPWALCK-SECBINFHSA-N -1 1 300.326 0.080 20 0 DCADMM O=C(N[C@@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001607044475 1170366680 /nfs/dbraw/zinc/36/66/80/1170366680.db2.gz SJZVVJXKRZTVDX-ZETCQYMHSA-N -1 1 306.351 0.327 20 0 DCADMM O=C(N[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001607044475 1170366687 /nfs/dbraw/zinc/36/66/87/1170366687.db2.gz SJZVVJXKRZTVDX-ZETCQYMHSA-N -1 1 306.351 0.327 20 0 DCADMM O=C1CC[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CCN1 ZINC001607044362 1170368295 /nfs/dbraw/zinc/36/82/95/1170368295.db2.gz QXWWRMAYMFFBSR-VIFPVBQESA-N -1 1 324.348 0.891 20 0 DCADMM O=C1CC[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CCN1 ZINC001607044362 1170368302 /nfs/dbraw/zinc/36/83/02/1170368302.db2.gz QXWWRMAYMFFBSR-VIFPVBQESA-N -1 1 324.348 0.891 20 0 DCADMM O=C1CCCCCN1CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001607045011 1170368647 /nfs/dbraw/zinc/36/86/47/1170368647.db2.gz RCRXDBKDCHBRGQ-UHFFFAOYSA-N -1 1 316.369 0.283 20 0 DCADMM O=S1(=O)CC(CCOc2ccc(F)nc2-c2nnn[n-]2)C1 ZINC001607074893 1170380854 /nfs/dbraw/zinc/38/08/54/1170380854.db2.gz QJSBKMQSWDAJMG-UHFFFAOYSA-N -1 1 313.314 0.214 20 0 DCADMM O=S1(=O)CC(CCOc2ccc(F)nc2-c2nn[n-]n2)C1 ZINC001607074893 1170380860 /nfs/dbraw/zinc/38/08/60/1170380860.db2.gz QJSBKMQSWDAJMG-UHFFFAOYSA-N -1 1 313.314 0.214 20 0 DCADMM O=c1c(-c2nn[n-]n2)c2c(cn1CN1CC[C@@H](F)C1)CCCC2 ZINC001607089142 1170387133 /nfs/dbraw/zinc/38/71/33/1170387133.db2.gz HWEQFOPAFRRYBP-LLVKDONJSA-N -1 1 318.356 0.909 20 0 DCADMM OC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](O)C1CCCCC1 ZINC001607101400 1170395356 /nfs/dbraw/zinc/39/53/56/1170395356.db2.gz HWKPYOLPPXAHKE-WCQYABFASA-N -1 1 319.369 0.371 20 0 DCADMM OC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](O)C1CCCCC1 ZINC001607101400 1170395363 /nfs/dbraw/zinc/39/53/63/1170395363.db2.gz HWKPYOLPPXAHKE-WCQYABFASA-N -1 1 319.369 0.371 20 0 DCADMM O[C@H]1C[C@@H](c2ccccc2)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001607101861 1170396125 /nfs/dbraw/zinc/39/61/25/1170396125.db2.gz SRQDWQITEFFNKF-AAEUAGOBSA-N -1 1 309.333 0.969 20 0 DCADMM O[C@H]1C[C@@H](c2ccccc2)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001607101861 1170396130 /nfs/dbraw/zinc/39/61/30/1170396130.db2.gz SRQDWQITEFFNKF-AAEUAGOBSA-N -1 1 309.333 0.969 20 0 DCADMM OC[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@@H]1CCOC1 ZINC001607104063 1170397773 /nfs/dbraw/zinc/39/77/73/1170397773.db2.gz UUTZBBLGDBAYMQ-KOLCDFICSA-N -1 1 317.353 0.343 20 0 DCADMM OC[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@@H]1CCOC1 ZINC001607104063 1170397778 /nfs/dbraw/zinc/39/77/78/1170397778.db2.gz UUTZBBLGDBAYMQ-KOLCDFICSA-N -1 1 317.353 0.343 20 0 DCADMM OC[C@@]1(F)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001607104917 1170398745 /nfs/dbraw/zinc/39/87/45/1170398745.db2.gz UBROAMUIEDBTSW-SECBINFHSA-N -1 1 304.738 0.887 20 0 DCADMM OC[C@@H](CCc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001607107124 1170400618 /nfs/dbraw/zinc/40/06/18/1170400618.db2.gz SVTBKGUYFCGZNL-GFCCVEGCSA-N -1 1 311.349 0.484 20 0 DCADMM c1cc(N[C@H]2CCOC3(CCOCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001607119906 1170404561 /nfs/dbraw/zinc/40/45/61/1170404561.db2.gz MPXSWCBZLQLXNR-LBPRGKRZSA-N -1 1 316.365 0.824 20 0 DCADMM c1cc(N[C@H]2CCOC3(CCOCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001607119906 1170404563 /nfs/dbraw/zinc/40/45/63/1170404563.db2.gz MPXSWCBZLQLXNR-LBPRGKRZSA-N -1 1 316.365 0.824 20 0 DCADMM c1cc(NCc2ccc(OCC3CC3)nc2)nc(-c2nn[n-]n2)n1 ZINC001607121981 1170404673 /nfs/dbraw/zinc/40/46/73/1170404673.db2.gz WTWFVLDXFUUBBX-UHFFFAOYSA-N -1 1 324.348 0.875 20 0 DCADMM c1cc(N2CCOC[C@H]2[C@@H]2CCCO2)nnc1-c1nnn[n-]1 ZINC001607119958 1170404977 /nfs/dbraw/zinc/40/49/77/1170404977.db2.gz ODUIFFKNZSAQLL-QWRGUYRKSA-N -1 1 303.326 0.041 20 0 DCADMM c1cc(N2CCOC[C@H]2[C@@H]2CCCO2)nnc1-c1nn[n-]n1 ZINC001607119958 1170404978 /nfs/dbraw/zinc/40/49/78/1170404978.db2.gz ODUIFFKNZSAQLL-QWRGUYRKSA-N -1 1 303.326 0.041 20 0 DCADMM c1cc(-c2nnn[n-]2)oc1Cn1nnnc1Cc1ccccn1 ZINC001607130169 1170406114 /nfs/dbraw/zinc/40/61/14/1170406114.db2.gz HJLRXEKIHNCFCP-UHFFFAOYSA-N -1 1 309.293 0.480 20 0 DCADMM c1cc(-c2nn[n-]n2)oc1Cn1nnnc1Cc1ccccn1 ZINC001607130169 1170406115 /nfs/dbraw/zinc/40/61/15/1170406115.db2.gz HJLRXEKIHNCFCP-UHFFFAOYSA-N -1 1 309.293 0.480 20 0 DCADMM c1nc(-c2nnn[n-]2)cc(N2CCOC[C@H]2C[C@H]2CCCO2)n1 ZINC001607136383 1170407945 /nfs/dbraw/zinc/40/79/45/1170407945.db2.gz FBPWYSTXKODPKJ-GHMZBOCLSA-N -1 1 317.353 0.431 20 0 DCADMM c1nc(-c2nn[n-]n2)cc(N2CCOC[C@H]2C[C@H]2CCCO2)n1 ZINC001607136383 1170407953 /nfs/dbraw/zinc/40/79/53/1170407953.db2.gz FBPWYSTXKODPKJ-GHMZBOCLSA-N -1 1 317.353 0.431 20 0 DCADMM c1sc(CN2CCO[C@H]([C@H]3CCCO3)C2)nc1-c1nnn[n-]1 ZINC001607138222 1170408791 /nfs/dbraw/zinc/40/87/91/1170408791.db2.gz RGZQJBWTDQAOJE-MNOVXSKESA-N -1 1 322.394 0.703 20 0 DCADMM c1sc(CN2CCO[C@H]([C@H]3CCCO3)C2)nc1-c1nn[n-]n1 ZINC001607138222 1170408797 /nfs/dbraw/zinc/40/87/97/1170408797.db2.gz RGZQJBWTDQAOJE-MNOVXSKESA-N -1 1 322.394 0.703 20 0 DCADMM c1sc(CN2CCO[C@@H]([C@H]3CCCO3)C2)nc1-c1nnn[n-]1 ZINC001607138221 1170409137 /nfs/dbraw/zinc/40/91/37/1170409137.db2.gz RGZQJBWTDQAOJE-GHMZBOCLSA-N -1 1 322.394 0.703 20 0 DCADMM c1sc(CN2CCO[C@@H]([C@H]3CCCO3)C2)nc1-c1nn[n-]n1 ZINC001607138221 1170409139 /nfs/dbraw/zinc/40/91/39/1170409139.db2.gz RGZQJBWTDQAOJE-GHMZBOCLSA-N -1 1 322.394 0.703 20 0 DCADMM COc1cccc([C@H](N)C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC001607314132 1170426493 /nfs/dbraw/zinc/42/64/93/1170426493.db2.gz WJJZSZXUGOOSLH-BNOWGMLFSA-N -1 1 322.361 0.549 20 0 DCADMM COc1cccc(C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CCN2)c1 ZINC001607320229 1170427259 /nfs/dbraw/zinc/42/72/59/1170427259.db2.gz DBPFMZDXZIPETO-VHDGCEQUSA-N -1 1 318.373 0.759 20 0 DCADMM C[C@@H](O)[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1ccn[nH]1 ZINC001607424478 1170449730 /nfs/dbraw/zinc/44/97/30/1170449730.db2.gz VPSREJPWMFRAIL-ABAIWWIYSA-N -1 1 317.345 0.815 20 0 DCADMM C[C@@H]1CN(Cc2cn(C[C@@H]3CCOC3)nn2)C[C@H]1CC(=O)[O-] ZINC001607438955 1170453725 /nfs/dbraw/zinc/45/37/25/1170453725.db2.gz LRFXJOFNMYXBHQ-FRRDWIJNSA-N -1 1 308.382 0.857 20 0 DCADMM C[C@H](NC(=O)[C@H](C)NCc1cccn(C(F)F)c1=O)C(=O)[O-] ZINC001607459905 1170459160 /nfs/dbraw/zinc/45/91/60/1170459160.db2.gz MDGUZKBECNIKIM-YUMQZZPRSA-N -1 1 317.292 0.311 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2)c1C ZINC001607500455 1170468350 /nfs/dbraw/zinc/46/83/50/1170468350.db2.gz PATIKIGCSXCJST-ZRUFSTJUSA-N -1 1 320.349 0.124 20 0 DCADMM Cc1cc(C[C@H](C)NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n[nH]1 ZINC001607638765 1170487260 /nfs/dbraw/zinc/48/72/60/1170487260.db2.gz WERQNCAGCVIVLB-MKPLZMMCSA-N -1 1 310.354 0.438 20 0 DCADMM Cc1cc(C[C@@H](C)NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])n[nH]1 ZINC001607638758 1170487508 /nfs/dbraw/zinc/48/75/08/1170487508.db2.gz WERQNCAGCVIVLB-HLUHBDAQSA-N -1 1 310.354 0.438 20 0 DCADMM Cc1ccc(N2CC[C@H](N3CCN(CC(=O)[O-])CC3)C2=O)cc1 ZINC001607794191 1170507373 /nfs/dbraw/zinc/50/73/73/1170507373.db2.gz ZRHCJTZQFRRPIX-HNNXBMFYSA-N -1 1 317.389 0.803 20 0 DCADMM Cc1ccccc1CCNC(=O)CN1CC[C@@](O)(C(=O)[O-])C1 ZINC001607880355 1170515563 /nfs/dbraw/zinc/51/55/63/1170515563.db2.gz GZVLRUKLCQTKQZ-INIZCTEOSA-N -1 1 306.362 0.175 20 0 DCADMM Cc1conc1CNC1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001607922480 1170525082 /nfs/dbraw/zinc/52/50/82/1170525082.db2.gz GAJBJAOMQPSFFM-RYUDHWBXSA-N -1 1 307.350 0.784 20 0 DCADMM Cc1ncc(C(=O)N2CCC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)[nH]1 ZINC001607944324 1170530339 /nfs/dbraw/zinc/53/03/39/1170530339.db2.gz RKZFPDVANGKIPK-QWRGUYRKSA-N -1 1 320.349 0.160 20 0 DCADMM Cc1ncc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)o1 ZINC001607979642 1170538083 /nfs/dbraw/zinc/53/80/83/1170538083.db2.gz CHMZTPLYDOSIBS-DNIRFERGSA-N -1 1 307.350 0.688 20 0 DCADMM Cc1nn(C)c(C)c1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001607996727 1170542881 /nfs/dbraw/zinc/54/28/81/1170542881.db2.gz HGUGJJDXNWFCQD-SNVBAGLBSA-N -1 1 308.382 0.658 20 0 DCADMM Cc1nn(C)c(C)c1NC(=O)CN[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001608000467 1170544612 /nfs/dbraw/zinc/54/46/12/1170544612.db2.gz ZYCDBLJFSRRMGS-RYUDHWBXSA-N -1 1 324.381 0.587 20 0 DCADMM Cc1nnc(SCCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])[nH]1 ZINC001608017363 1170550752 /nfs/dbraw/zinc/55/07/52/1170550752.db2.gz WOGYMEFPCLZKIP-PSASIEDQSA-N -1 1 314.367 0.032 20 0 DCADMM Nc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc(Cl)n1 ZINC001608272673 1170638352 /nfs/dbraw/zinc/63/83/52/1170638352.db2.gz SIPANYCVIGQUNL-QMMMGPOBSA-N -1 1 309.713 0.466 20 0 DCADMM O=C([O-])[C@H](C[C@@H]1CCCO1)NCC(=O)NCc1cccnc1 ZINC001608340471 1170655433 /nfs/dbraw/zinc/65/54/33/1170655433.db2.gz MQKQYYLZKKUPBT-STQMWFEESA-N -1 1 307.350 0.310 20 0 DCADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)CSCc1ccncc1 ZINC001608354500 1170658889 /nfs/dbraw/zinc/65/88/89/1170658889.db2.gz QXJPKPLSVBXXJL-GFCCVEGCSA-N -1 1 320.374 0.850 20 0 DCADMM O=C([O-])[C@H](Cc1cncs1)NC(=O)c1[nH]nc2c1CCC2 ZINC001608402948 1170670476 /nfs/dbraw/zinc/67/04/76/1170670476.db2.gz LLDYDDOSQFEAPL-JTQLQIEISA-N -1 1 306.347 0.781 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc2c(cn1)OCCO2 ZINC001608486005 1170688635 /nfs/dbraw/zinc/68/86/35/1170688635.db2.gz MPSVLLRQLVEGNO-JTQLQIEISA-N -1 1 318.289 0.002 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1n[nH]c2c1CCCCC2 ZINC001608486109 1170689086 /nfs/dbraw/zinc/68/90/86/1170689086.db2.gz SGPZZOYXZDBNDY-LBPRGKRZSA-N -1 1 317.349 0.827 20 0 DCADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1nccc2occc21 ZINC001608486156 1170689298 /nfs/dbraw/zinc/68/92/98/1170689298.db2.gz VQXPZUOPPRRZNJ-JTQLQIEISA-N -1 1 300.274 0.977 20 0 DCADMM O=C([O-])C1=NO[C@@]2(CCN(C(=O)c3ccc(F)cc3O)C2)C1 ZINC001608591357 1170709808 /nfs/dbraw/zinc/70/98/08/1170709808.db2.gz YNTBBDCGFTWZTE-AWEZNQCLSA-N -1 1 308.265 0.977 20 0 DCADMM O=C([O-])[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCOC1CCC1 ZINC001608610273 1170717873 /nfs/dbraw/zinc/71/78/73/1170717873.db2.gz HSZQOTHWNSXHQE-NEBZKDRISA-N -1 1 322.405 0.951 20 0 DCADMM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCOC1CCC1 ZINC001608610271 1170718212 /nfs/dbraw/zinc/71/82/12/1170718212.db2.gz HSZQOTHWNSXHQE-AYRXBEOTSA-N -1 1 322.405 0.951 20 0 DCADMM O=C([O-])CC1(CC(=O)N2CCO[C@H](c3nn[nH]n3)C2)CCCC1 ZINC001608676926 1170734816 /nfs/dbraw/zinc/73/48/16/1170734816.db2.gz JVIBKDMAKQQVQW-JTQLQIEISA-N -1 1 323.353 0.525 20 0 DCADMM O=C([O-])C[C@@H]1CCCN1CC(=O)NCC(=O)c1ccccc1 ZINC001608696508 1170738760 /nfs/dbraw/zinc/73/87/60/1170738760.db2.gz DUYHTORZJJPUCX-ZDUSSCGKSA-N -1 1 304.346 0.925 20 0 DCADMM O=C([O-])CCN1CC[C@H](N2CC[C@H](c3cnccn3)C2)C1=O ZINC001608722904 1170743276 /nfs/dbraw/zinc/74/32/76/1170743276.db2.gz CVGQDFCEKZRCFM-AAEUAGOBSA-N -1 1 304.350 0.342 20 0 DCADMM O=C([O-])CCc1csc(NC(=O)CCCc2nn[nH]n2)n1 ZINC001608741153 1170747695 /nfs/dbraw/zinc/74/76/95/1170747695.db2.gz HTFMPZAFCYVIJA-UHFFFAOYSA-N -1 1 310.339 0.635 20 0 DCADMM O=C([O-])CN1CCN(C(=O)C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC001608749337 1170748673 /nfs/dbraw/zinc/74/86/73/1170748673.db2.gz YWPPARSUSVUXIZ-ZDUSSCGKSA-N -1 1 310.394 0.955 20 0 DCADMM O=C([O-])CNC(=O)[C@H]1CCCN1CCN1CCc2ccccc21 ZINC001608751662 1170749791 /nfs/dbraw/zinc/74/97/91/1170749791.db2.gz VWNVBTOAZYAIKQ-OAHLLOKOSA-N -1 1 317.389 0.714 20 0 DCADMM O=C([O-])Cc1csc(NC(=O)[C@H]2CCCc3n[nH]nc32)n1 ZINC001608791904 1170754713 /nfs/dbraw/zinc/75/47/13/1170754713.db2.gz FKUSNEFOXOFRGQ-ZETCQYMHSA-N -1 1 307.335 0.947 20 0 DCADMM O=C([O-])Cn1cc(CNC[C@@H]2Cc3ccccc3CO2)nn1 ZINC001608797359 1170756588 /nfs/dbraw/zinc/75/65/88/1170756588.db2.gz CGQXORSEAMWLOW-AWEZNQCLSA-N -1 1 302.334 0.594 20 0 DCADMM O=C([O-])c1cnc([C@@H]2CCN(CCN3C(=O)CNC3=O)C2)s1 ZINC001608969244 1170778220 /nfs/dbraw/zinc/77/82/20/1170778220.db2.gz LNWGQDHEXVLVEP-MRVPVSSYSA-N -1 1 324.362 0.182 20 0 DCADMM O=C([O-])c1cnn(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1 ZINC001608984935 1170780816 /nfs/dbraw/zinc/78/08/16/1170780816.db2.gz WEGNZEQDKOGRQH-MRVPVSSYSA-N -1 1 321.293 0.076 20 0 DCADMM O=C([O-])c1csc(CN2CCN(Cc3nnc[nH]3)CC2)n1 ZINC001608992032 1170781933 /nfs/dbraw/zinc/78/19/33/1170781933.db2.gz ZJDFWECCWULFOT-UHFFFAOYSA-N -1 1 308.367 0.277 20 0 DCADMM O=C([O-])c1ncccc1OS(=O)(=O)c1c[nH]nc1Cl ZINC001609000241 1170783819 /nfs/dbraw/zinc/78/38/19/1170783819.db2.gz RMHYSCIUXKTBDJ-UHFFFAOYSA-N -1 1 303.683 0.924 20 0 DCADMM CC(=O)Nc1cccc(Cn2cncc(-c3nn[n-]n3)c2=O)c1 ZINC001609064644 1170797709 /nfs/dbraw/zinc/79/77/09/1170797709.db2.gz JWDIUBZMBBRGSR-UHFFFAOYSA-N -1 1 311.305 0.430 20 0 DCADMM C[C@H](C(=O)N[C@@H]1CC2CCC1CC2)n1cnc(-c2nn[n-]n2)n1 ZINC001609069114 1170798358 /nfs/dbraw/zinc/79/83/58/1170798358.db2.gz QYTUYKKROHFQGI-AGVGLQIMSA-N -1 1 316.369 0.714 20 0 DCADMM C[C@@H](C(=O)Nc1ccc(Cl)nc1)n1cnc(-c2nn[n-]n2)n1 ZINC001609070054 1170798761 /nfs/dbraw/zinc/79/87/61/1170798761.db2.gz IHWKDTXVGANSQU-LURJTMIESA-N -1 1 319.716 0.706 20 0 DCADMM C[C@@H](C(=O)Nc1cccc2c[nH]nc21)n1cnc(-c2nn[n-]n2)n1 ZINC001609070061 1170798876 /nfs/dbraw/zinc/79/88/76/1170798876.db2.gz IQZZNQIDXQPSMV-ZETCQYMHSA-N -1 1 324.308 0.534 20 0 DCADMM C[C@@H](C(=O)OCc1ccsc1)n1cnc(-c2nn[n-]n2)n1 ZINC001609072574 1170800548 /nfs/dbraw/zinc/80/05/48/1170800548.db2.gz WNPIGMMKBKFDEB-ZETCQYMHSA-N -1 1 305.323 0.824 20 0 DCADMM CC(C)(C)NC(=O)CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609075701 1170800713 /nfs/dbraw/zinc/80/07/13/1170800713.db2.gz CFUXMDNMHQNFLQ-UHFFFAOYSA-N -1 1 322.394 0.963 20 0 DCADMM CC(C)Cn1ncnc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001609097368 1170806895 /nfs/dbraw/zinc/80/68/95/1170806895.db2.gz SOZWSRNUCDABHW-UHFFFAOYSA-N -1 1 301.314 0.483 20 0 DCADMM C[C@H](NCc1cnc2c(-c3nn[n-]n3)cnn2c1)c1ccn(C)n1 ZINC001609125158 1170817561 /nfs/dbraw/zinc/81/75/61/1170817561.db2.gz KPFKWGPUJOJIFO-VIFPVBQESA-N -1 1 324.352 0.494 20 0 DCADMM C[C@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)c1nnnn1C ZINC001609132736 1170822623 /nfs/dbraw/zinc/82/26/23/1170822623.db2.gz GPLLICYFXIMPHZ-LURJTMIESA-N -1 1 318.272 0.447 20 0 DCADMM C[C@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)c1nnnn1C ZINC001609132736 1170822627 /nfs/dbraw/zinc/82/26/27/1170822627.db2.gz GPLLICYFXIMPHZ-LURJTMIESA-N -1 1 318.272 0.447 20 0 DCADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H](CO)O1 ZINC001609146608 1170826014 /nfs/dbraw/zinc/82/60/14/1170826014.db2.gz OXIHNUWQVSBZHB-MRVPVSSYSA-N -1 1 323.378 0.540 20 0 DCADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H](CO)O1 ZINC001609146608 1170826021 /nfs/dbraw/zinc/82/60/21/1170826021.db2.gz OXIHNUWQVSBZHB-MRVPVSSYSA-N -1 1 323.378 0.540 20 0 DCADMM C[C@@]1(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCC(=O)N1 ZINC001609148274 1170827033 /nfs/dbraw/zinc/82/70/33/1170827033.db2.gz MLUJYGNISBZSFL-ZDUSSCGKSA-N -1 1 316.325 0.052 20 0 DCADMM C[C@@]1(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCC(=O)N1 ZINC001609148274 1170827040 /nfs/dbraw/zinc/82/70/40/1170827040.db2.gz MLUJYGNISBZSFL-ZDUSSCGKSA-N -1 1 316.325 0.052 20 0 DCADMM C[C@@H]1C[C@@H](C)CN(C(=O)COc2cnc(-c3nn[n-]n3)nc2)C1 ZINC001609155470 1170833454 /nfs/dbraw/zinc/83/34/54/1170833454.db2.gz YKAUEAVEDLPTQU-NXEZZACHSA-N -1 1 317.353 0.540 20 0 DCADMM C[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@@H](C)S1=O ZINC001609173249 1170841201 /nfs/dbraw/zinc/84/12/01/1170841201.db2.gz HGCUBCPZPRALKI-HTQZYQBOSA-N -1 1 312.424 0.665 20 0 DCADMM C[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@@H](C)S1=O ZINC001609173249 1170841207 /nfs/dbraw/zinc/84/12/07/1170841207.db2.gz HGCUBCPZPRALKI-HTQZYQBOSA-N -1 1 312.424 0.665 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)[C@H](C)O1 ZINC001609172470 1170841610 /nfs/dbraw/zinc/84/16/10/1170841610.db2.gz WVWFWMHKHFUOQF-BBBLOLIVSA-N -1 1 302.338 0.900 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)[C@H](C)O1 ZINC001609172470 1170841615 /nfs/dbraw/zinc/84/16/15/1170841615.db2.gz WVWFWMHKHFUOQF-BBBLOLIVSA-N -1 1 302.338 0.900 20 0 DCADMM C[C@@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)CC(C)(C)O1 ZINC001609173815 1170846381 /nfs/dbraw/zinc/84/63/81/1170846381.db2.gz NFDAVUPCMHXWBB-SNVBAGLBSA-N -1 1 304.354 0.485 20 0 DCADMM C[C@@H]1COCC[C@@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609176899 1170848610 /nfs/dbraw/zinc/84/86/10/1170848610.db2.gz IBDNZTUZSGQQBS-NXEZZACHSA-N -1 1 302.338 0.664 20 0 DCADMM C[C@@H]1COCC[C@@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609176899 1170848620 /nfs/dbraw/zinc/84/86/20/1170848620.db2.gz IBDNZTUZSGQQBS-NXEZZACHSA-N -1 1 302.338 0.664 20 0 DCADMM CCC(C)(CC)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609182557 1170851881 /nfs/dbraw/zinc/85/18/81/1170851881.db2.gz ADQNXBFNSSKOQS-UHFFFAOYSA-N -1 1 307.362 0.336 20 0 DCADMM 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ZINC001364038107 962346867 /nfs/dbraw/zinc/34/68/67/962346867.db2.gz VOUBOEXEIXNLQV-XCBNKYQSSA-N -1 1 307.358 0.537 20 0 DCADMM COc1cc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)nn1C ZINC001364038275 962347604 /nfs/dbraw/zinc/34/76/04/962347604.db2.gz WAAXBXZQTRMAAP-VIFPVBQESA-N -1 1 305.342 0.037 20 0 DCADMM CC(C)c1nccn1CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001364045312 962362899 /nfs/dbraw/zinc/36/28/99/962362899.db2.gz CSKNICFKDSIZJX-UHFFFAOYSA-N -1 1 312.355 0.167 20 0 DCADMM CC(C)c1nccn1CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001364045312 962362914 /nfs/dbraw/zinc/36/29/14/962362914.db2.gz CSKNICFKDSIZJX-UHFFFAOYSA-N -1 1 312.355 0.167 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)C[C@@H](C)c2cnn(C)c2)n[n-]1 ZINC001364064049 962396505 /nfs/dbraw/zinc/39/65/05/962396505.db2.gz NOUAIFQXTJVHML-SECBINFHSA-N -1 1 320.353 0.525 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)C[C@@H](C)c2cnn(C)c2)n1 ZINC001364064049 962396522 /nfs/dbraw/zinc/39/65/22/962396522.db2.gz NOUAIFQXTJVHML-SECBINFHSA-N -1 1 320.353 0.525 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)c2ccnn2CC(C)C)n[n-]1 ZINC001364084458 962439279 /nfs/dbraw/zinc/43/92/79/962439279.db2.gz PWQHWSSOOHHPKG-UHFFFAOYSA-N -1 1 320.353 0.764 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccnn2CC(C)C)n1 ZINC001364084458 962439293 /nfs/dbraw/zinc/43/92/93/962439293.db2.gz PWQHWSSOOHHPKG-UHFFFAOYSA-N -1 1 320.353 0.764 20 0 DCADMM CSc1ncc(C(=O)N[C@@H]2CCCC23OCCO3)c(=O)[n-]1 ZINC001364097433 962462383 /nfs/dbraw/zinc/46/23/83/962462383.db2.gz UGFZVOUTMYUQDE-SECBINFHSA-N -1 1 311.363 0.930 20 0 DCADMM COC(=O)[C@H](NS(=O)(=O)c1cc(OC)ccc1[O-])C(C)C ZINC001364108198 962485734 /nfs/dbraw/zinc/48/57/34/962485734.db2.gz LOKGYAFJBGAMCK-GFCCVEGCSA-N -1 1 317.363 0.877 20 0 DCADMM COC(=O)c1c(OCCO)n[n-]c1NC(=O)c1ccccn1 ZINC001364109181 962489202 /nfs/dbraw/zinc/48/92/02/962489202.db2.gz XSKVYQCEKYQIDK-UHFFFAOYSA-N -1 1 306.278 0.215 20 0 DCADMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](CO)c1ncc[nH]1 ZINC001364188745 962640133 /nfs/dbraw/zinc/64/01/33/962640133.db2.gz 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O=C([O-])CN1CCCC[C@H](NCc2ccnn2CC2CC2)C1=O ZINC001574724779 962810055 /nfs/dbraw/zinc/81/00/55/962810055.db2.gz YZOFZFPJGSUYDZ-AWEZNQCLSA-N -1 1 320.393 0.848 20 0 DCADMM CC[C@](C)(CCO)NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001364330379 962908063 /nfs/dbraw/zinc/90/80/63/962908063.db2.gz MDVRGZKNLZZSII-OAHLLOKOSA-N -1 1 324.381 0.605 20 0 DCADMM CC(C)C[C@H](C)CC(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001380254245 962931736 /nfs/dbraw/zinc/93/17/36/962931736.db2.gz YRKCHOMKJJZWAX-LBPRGKRZSA-N -1 1 323.441 0.823 20 0 DCADMM C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)COC(C)(C)C ZINC001379542196 963158592 /nfs/dbraw/zinc/15/85/92/963158592.db2.gz FCVCVABUSJWPPZ-ZJUUUORDSA-N -1 1 311.386 0.404 20 0 DCADMM COc1nc(C)ccc1C(=O)N[C@@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001379560276 963182995 /nfs/dbraw/zinc/18/29/95/963182995.db2.gz DVJPOASHWQDZCH-VIFPVBQESA-N -1 1 320.353 0.130 20 0 DCADMM CO[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC000315010638 963843396 /nfs/dbraw/zinc/84/33/96/963843396.db2.gz FZIMPPHDLYNDMR-QWHCGFSZSA-N -1 1 303.318 0.909 20 0 DCADMM CCCn1cc(C(=O)N[C@@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001368879311 964086132 /nfs/dbraw/zinc/08/61/32/964086132.db2.gz VCXFYODZCWLXJT-UWVGGRQHSA-N -1 1 321.385 0.413 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H](C)NC(=O)COc1ccccc1 ZINC001368891190 964103639 /nfs/dbraw/zinc/10/36/39/964103639.db2.gz KATFZGJYPNTYBN-QWRGUYRKSA-N -1 1 319.365 0.572 20 0 DCADMM CS[C@@H](C)CC(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001369238600 964569096 /nfs/dbraw/zinc/56/90/96/964569096.db2.gz ICTOLTYNEVKWST-IUCAKERBSA-N -1 1 301.416 0.588 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001373824052 964680940 /nfs/dbraw/zinc/68/09/40/964680940.db2.gz LLVMUMZMBKLQMS-PJXYFTJBSA-N -1 1 319.361 0.258 20 0 DCADMM CO[C@@H](C)CC(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001373839749 964699923 /nfs/dbraw/zinc/69/99/23/964699923.db2.gz LMKQNCCULNTFBF-JTQLQIEISA-N -1 1 311.386 0.454 20 0 DCADMM CCc1ocnc1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001430513050 1013539054 /nfs/dbraw/zinc/53/90/54/1013539054.db2.gz YEZYVOAFMGPRML-VIFPVBQESA-N -1 1 318.333 0.886 20 0 DCADMM CC(C)[C@@H](CNC(=O)c1cn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001376027764 965102406 /nfs/dbraw/zinc/10/24/06/965102406.db2.gz ZQYKMPSGODYQSP-SECBINFHSA-N -1 1 318.337 0.090 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H](NC(=O)CCC3CC3)C2)nc1=O ZINC001376039475 965121998 /nfs/dbraw/zinc/12/19/98/965121998.db2.gz UKMYUKZCHSDVBE-GFCCVEGCSA-N -1 1 307.398 0.379 20 0 DCADMM CC(C)n1nccc1C(=O)N(C)[C@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001374226679 965157975 /nfs/dbraw/zinc/15/79/75/965157975.db2.gz GMOWYRVZMRPFEX-SNVBAGLBSA-N -1 1 321.385 0.538 20 0 DCADMM CC(C)c1cc(C(=O)N(C)[C@@H](C)CNCc2n[nH]c(=O)[n-]2)on1 ZINC001374292016 965238267 /nfs/dbraw/zinc/23/82/67/965238267.db2.gz GYMBKGONPAKOGD-VIFPVBQESA-N -1 1 322.369 0.872 20 0 DCADMM Cc1nc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)CC(C)C)co1 ZINC001374346338 965305529 /nfs/dbraw/zinc/30/55/29/965305529.db2.gz AWPVVALXWIINFF-SNVBAGLBSA-N -1 1 322.369 0.741 20 0 DCADMM CCCc1cc(C(=O)N[C@@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)[nH]n1 ZINC001447880524 1013620855 /nfs/dbraw/zinc/62/08/55/1013620855.db2.gz FWRIRMQZUOEQFT-IUCAKERBSA-N -1 1 321.385 0.483 20 0 DCADMM CC(C)c1cc(C(=O)N[C@H](C)[C@@H](C)NCc2n[nH]c(=O)[n-]2)no1 ZINC001447886857 1013624923 /nfs/dbraw/zinc/62/49/23/1013624923.db2.gz OAKMCNNCLOOOHQ-RKDXNWHRSA-N -1 1 322.369 0.918 20 0 DCADMM Cc1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])no1 ZINC001370436013 966117941 /nfs/dbraw/zinc/11/79/41/966117941.db2.gz CTRZKASEOUEIFS-SECBINFHSA-N -1 1 318.333 0.974 20 0 DCADMM CC(C)[C@H](C)C(=O)NC[C@@H]1CCCCN1Cc1nc(=O)n(C)[n-]1 ZINC001370889257 966566624 /nfs/dbraw/zinc/56/66/24/966566624.db2.gz DBFAFTUPPFPSGX-STQMWFEESA-N -1 1 323.441 0.871 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)C[C@@H](C)NC(=O)CN2CCCC2)c1[O-] ZINC001381945022 966798541 /nfs/dbraw/zinc/79/85/41/966798541.db2.gz GBZNGTWWYSPYJJ-SNVBAGLBSA-N -1 1 323.397 0.096 20 0 DCADMM CCc1ncsc1C(=O)NC[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001371203177 966810291 /nfs/dbraw/zinc/81/02/91/966810291.db2.gz HWWSANVARGJWSW-SSDOTTSWSA-N -1 1 310.383 0.437 20 0 DCADMM CCCc1nc(C)c(C(=O)NC[C@H](C)NCc2n[nH]c(=O)[n-]2)o1 ZINC001371419395 966978189 /nfs/dbraw/zinc/97/81/89/966978189.db2.gz ALOPUHRNPOBEDE-QMMMGPOBSA-N -1 1 322.369 0.667 20 0 DCADMM C[C@@H](CNC(=O)[C@@H]1COc2ccccc21)NCc1n[nH]c(=O)[n-]1 ZINC001371482052 967029336 /nfs/dbraw/zinc/02/93/36/967029336.db2.gz FAWDQOIKLYOGRI-GXSJLCMTSA-N -1 1 317.349 0.281 20 0 DCADMM CO[C@@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001371589338 967150430 /nfs/dbraw/zinc/15/04/30/967150430.db2.gz BGMAZOWEEQILMX-WDEREUQCSA-N -1 1 307.350 0.495 20 0 DCADMM CCN(CC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-])C1CC1 ZINC001605411731 1169915392 /nfs/dbraw/zinc/91/53/92/1169915392.db2.gz ZOLYLHZREMTYGS-ZYHUDNBSSA-N -1 1 312.366 0.336 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccn(C)c1 ZINC001372837238 968443303 /nfs/dbraw/zinc/44/33/03/968443303.db2.gz SOOIHKYWROEGNJ-JTQLQIEISA-N -1 1 302.334 0.674 20 0 DCADMM COc1c[nH]c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1=O ZINC001448228334 1013830398 /nfs/dbraw/zinc/83/03/98/1013830398.db2.gz YCIAJBMOUFLDJU-MRVPVSSYSA-N -1 1 320.305 0.492 20 0 DCADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1ccn(C)n1 ZINC001448499784 1013933631 /nfs/dbraw/zinc/93/36/31/1013933631.db2.gz GRHWZFULWSFONT-SNVBAGLBSA-N -1 1 317.349 0.459 20 0 DCADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCO1 ZINC001448501636 1013934487 /nfs/dbraw/zinc/93/44/87/1013934487.db2.gz KVDBDAAFUHSDSJ-ZYHUDNBSSA-N -1 1 307.350 0.591 20 0 DCADMM CCO[C@H](C)C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001431324267 1013996542 /nfs/dbraw/zinc/99/65/42/1013996542.db2.gz HTECJCFHXRCTEK-LLVKDONJSA-N -1 1 309.366 0.743 20 0 DCADMM Cc1c(NC(=O)NCC(=O)N2CCNCC2)cccc1C(=O)[O-] ZINC000320075049 970610571 /nfs/dbraw/zinc/61/05/71/970610571.db2.gz AQPLJYMWHJWEIT-UHFFFAOYSA-N -1 1 320.349 0.247 20 0 DCADMM CCN(CC)CCS(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001610288479 970714895 /nfs/dbraw/zinc/71/48/95/970714895.db2.gz IQHHBXSCBWPLRJ-GFCCVEGCSA-N -1 1 306.428 0.845 20 0 DCADMM CN1CCC2(CCN(Cc3cc(C(=O)[O-])nn3C)CC2)C1=O ZINC001604209985 972683184 /nfs/dbraw/zinc/68/31/84/972683184.db2.gz IWHSPOOTCGGTDR-UHFFFAOYSA-N -1 1 306.366 0.563 20 0 DCADMM O=C([O-])[C@H](C(=O)N1CCC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC001605893330 972702099 /nfs/dbraw/zinc/70/20/99/972702099.db2.gz VQLDDXLTXZWIQP-JSGCOSHPSA-N -1 1 310.394 0.668 20 0 DCADMM CN1CCN(C2CN(C(=O)c3coc(/C=C/C(=O)[O-])c3)C2)CC1 ZINC001604221561 972717551 /nfs/dbraw/zinc/71/75/51/972717551.db2.gz UMLZEUNMHPXGDR-NSCUHMNNSA-N -1 1 319.361 0.449 20 0 DCADMM O=C([O-])[C@]1(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)CCCO1 ZINC001605917491 972801982 /nfs/dbraw/zinc/80/19/82/972801982.db2.gz RCXJGXYAGXFVEQ-IINYFYTJSA-N -1 1 317.305 0.039 20 0 DCADMM O=C([O-])[C@@]1(C(=O)Nc2nc(-c3ccccn3)n[nH]2)CCCO1 ZINC001605944264 972898935 /nfs/dbraw/zinc/89/89/35/972898935.db2.gz OEJXGTPJPBDZFI-ZDUSSCGKSA-N -1 1 303.278 0.439 20 0 DCADMM COC(=O)[C@H]1CN(C)CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC001604292659 972913646 /nfs/dbraw/zinc/91/36/46/972913646.db2.gz JRSGVKKRAGVNHV-WDEREUQCSA-N -1 1 314.382 0.297 20 0 DCADMM O=C([O-])[C@H]1CCN(CN2C(=O)C3(CCOCC3)[C@H]2C2CC2)C1 ZINC001606015941 973106292 /nfs/dbraw/zinc/10/62/92/973106292.db2.gz FQTADJXFKKKIFR-QWHCGFSZSA-N -1 1 308.378 0.768 20 0 DCADMM CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001604431916 973218651 /nfs/dbraw/zinc/21/86/51/973218651.db2.gz JHKNDFZSTDXCAZ-CQSZACIVSA-N -1 1 315.329 0.963 20 0 DCADMM CO[C@](C)(C(=O)[O-])C(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC001604450155 973272431 /nfs/dbraw/zinc/27/24/31/973272431.db2.gz CKDQQHLJGISIHK-HNNXBMFYSA-N -1 1 314.382 0.189 20 0 DCADMM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCC(c3nn[nH]n3)CC2)CO1 ZINC001606107597 973299192 /nfs/dbraw/zinc/29/91/92/973299192.db2.gz LOTFMKVKYTXEOE-WDEREUQCSA-N -1 1 323.353 0.176 20 0 DCADMM C[C@H]1COCCN1C1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001603474426 973357785 /nfs/dbraw/zinc/35/77/85/973357785.db2.gz VSECNKYLYRHKRE-SMDDNHRTSA-N -1 1 310.394 0.809 20 0 DCADMM Cc1ccc(CNC(=O)CN2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1F ZINC000401845917 973444947 /nfs/dbraw/zinc/44/49/47/973444947.db2.gz WZKASZKBUPJAGU-QWHCGFSZSA-N -1 1 324.352 0.518 20 0 DCADMM COC[C@@]1(C(=O)[O-])CN(CCC(=O)N2CCC[C@H]2C)CCO1 ZINC001604557198 973593491 /nfs/dbraw/zinc/59/34/91/973593491.db2.gz FHEPPNXJVSDRQZ-IUODEOHRSA-N -1 1 314.382 0.189 20 0 DCADMM O=C([O-])COCCOCCNCc1cnc2ccccc2n1 ZINC001606286192 973684071 /nfs/dbraw/zinc/68/40/71/973684071.db2.gz QQQCKLJXJWUYIG-UHFFFAOYSA-N -1 1 305.334 0.837 20 0 DCADMM CCC(CC)(NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1nn[n-]n1 ZINC001449013025 1014133655 /nfs/dbraw/zinc/13/36/55/1014133655.db2.gz HOAHRACCGRUMEE-VIFPVBQESA-N -1 1 310.402 0.882 20 0 DCADMM N[C@@H](CC(=O)[O-])c1noc(-c2ccc(-n3ccnn3)cc2)n1 ZINC001605648917 974017815 /nfs/dbraw/zinc/01/78/15/974017815.db2.gz JBRSUEWLTFHXGQ-JTQLQIEISA-N -1 1 300.278 0.792 20 0 DCADMM O=C([O-])[C@]12COC[C@@H]1CN(C(=O)c1cccc3c[nH]nc31)C2 ZINC001549229001 1014182574 /nfs/dbraw/zinc/18/25/74/1014182574.db2.gz IRCGEGDSRXMRNY-ZUZCIYMTSA-N -1 1 301.302 0.736 20 0 DCADMM Cc1nc[nH]c1CC(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001528060045 1014190173 /nfs/dbraw/zinc/19/01/73/1014190173.db2.gz WOXQRHGDNONBAA-UHFFFAOYSA-N -1 1 317.349 0.250 20 0 DCADMM CO[C@@H]1CCCC[C@@H]1C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001522597699 1014231127 /nfs/dbraw/zinc/23/11/27/1014231127.db2.gz PWQZMDGOMAYBOG-WCQYABFASA-N -1 1 321.377 0.838 20 0 DCADMM CC(C)[C@H](NC=O)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001591893194 976263508 /nfs/dbraw/zinc/26/35/08/976263508.db2.gz PXFOBCDWQYABHN-JTQLQIEISA-N -1 1 304.306 0.970 20 0 DCADMM CC(=O)N[C@@H](CSC[C@H](C)CN1CCOCC1)C(=O)[O-] ZINC000719955488 978016762 /nfs/dbraw/zinc/01/67/62/978016762.db2.gz DABNOPOKZYKPLY-PWSUYJOCSA-N -1 1 304.412 0.277 20 0 DCADMM COC(=O)c1cn(CCNC(=O)c2ccc(F)c([O-])c2)nn1 ZINC001449403044 1014461360 /nfs/dbraw/zinc/46/13/60/1014461360.db2.gz DKNBQOPNRFTUTE-UHFFFAOYSA-N -1 1 308.269 0.339 20 0 DCADMM C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001592610885 978565255 /nfs/dbraw/zinc/56/52/55/978565255.db2.gz LCGJIWLWLDUUJK-LURJTMIESA-N -1 1 308.306 0.536 20 0 DCADMM C[C@@H](CN1CCOCC1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001592616348 978579093 /nfs/dbraw/zinc/57/90/93/978579093.db2.gz SYYSGTQFUMNNFL-QWHCGFSZSA-N -1 1 310.394 0.668 20 0 DCADMM C[C@H](CN1CCOCC1)C(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC001592625057 978603186 /nfs/dbraw/zinc/60/31/86/978603186.db2.gz VQQMKNITCQNRQC-YPMHNXCESA-N -1 1 307.350 0.292 20 0 DCADMM CC[C@H](C)c1nc([C@H](C)NC(=O)Cn2cc(C(=O)[O-])nn2)n[nH]1 ZINC001595016656 979075370 /nfs/dbraw/zinc/07/53/70/979075370.db2.gz XFKFFEBQNFSPOG-YUMQZZPRSA-N -1 1 321.341 0.485 20 0 DCADMM O=C([O-])COc1ccc(C(=O)NCCN2CCCOCC2)cc1 ZINC001595119390 979483250 /nfs/dbraw/zinc/48/32/50/979483250.db2.gz RBZSIVSZHFHOPQ-UHFFFAOYSA-N -1 1 322.361 0.602 20 0 DCADMM C[C@@](Cn1cccn1)(NC(=O)CCCCc1c[nH]nn1)C(=O)[O-] ZINC001592917301 979893077 /nfs/dbraw/zinc/89/30/77/979893077.db2.gz NIRRYBAHNPJKGR-AWEZNQCLSA-N -1 1 320.353 0.374 20 0 DCADMM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)C(OC)OC ZINC001595311777 980474317 /nfs/dbraw/zinc/47/43/17/980474317.db2.gz ZOCSINGXBWLMBW-ZCFIWIBFSA-N -1 1 308.312 0.049 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@](O)(CC)C1)C(=O)[O-] ZINC001594889494 982281469 /nfs/dbraw/zinc/28/14/69/982281469.db2.gz DYUPDAFSBPNQGD-NJZAAPMLSA-N -1 1 300.399 0.839 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@@]1(CC)CO)C(=O)[O-] ZINC001594891890 982293544 /nfs/dbraw/zinc/29/35/44/982293544.db2.gz NPXKUUXDCKTKBG-LNSITVRQSA-N -1 1 300.399 0.839 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@](CO)(C(C)C)C1)C(=O)[O-] ZINC001594893652 982309047 /nfs/dbraw/zinc/30/90/47/982309047.db2.gz WOMPMZJKILPEBD-JGGQBBKZSA-N -1 1 314.426 0.942 20 0 DCADMM O=C([O-])[C@]1(C(=O)N[C@H]2CCCc3ccccc3C2)CNCCO1 ZINC001524162651 1014880986 /nfs/dbraw/zinc/88/09/86/1014880986.db2.gz RQQQQTDZJFLRJH-WMLDXEAASA-N -1 1 318.373 0.493 20 0 DCADMM CCO[C@@H](CC)C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001530740557 1014916503 /nfs/dbraw/zinc/91/65/03/1014916503.db2.gz VFXIDVBLUPWSFK-ZDUSSCGKSA-N -1 1 321.377 0.791 20 0 DCADMM CCCn1nccc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001596120753 983455774 /nfs/dbraw/zinc/45/57/74/983455774.db2.gz XYEDLWGUWAGUMY-GFCCVEGCSA-N -1 1 308.382 0.914 20 0 DCADMM CCCn1nccc1NC(=O)CNC1(C(=O)[O-])CCOCC1 ZINC001596125860 983463192 /nfs/dbraw/zinc/46/31/92/983463192.db2.gz IZUVDFWILLBOGV-UHFFFAOYSA-N -1 1 310.354 0.455 20 0 DCADMM CCN(CCNCc1cc(C)ncn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596339382 983784035 /nfs/dbraw/zinc/78/40/35/983784035.db2.gz JVHKGOLJAKNVRY-QWHCGFSZSA-N -1 1 306.366 0.444 20 0 DCADMM CCN(CCO)CCNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001596340920 983790150 /nfs/dbraw/zinc/79/01/50/983790150.db2.gz TXTZEOQRKLKPQC-UHFFFAOYSA-N -1 1 322.408 0.039 20 0 DCADMM CCN1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001596416248 984036502 /nfs/dbraw/zinc/03/65/02/984036502.db2.gz ZFNIXFBUIGBFPO-TUAOUCFPSA-N -1 1 304.412 0.596 20 0 DCADMM CCOC(=O)C[C@@H](O)CN1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001596594327 984540486 /nfs/dbraw/zinc/54/04/86/984540486.db2.gz OLEUYRISGLXZHD-IAQYHMDHSA-N -1 1 323.345 0.821 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)COC ZINC001531153884 1015086732 /nfs/dbraw/zinc/08/67/32/1015086732.db2.gz BHMJQVQTXQPTDV-WDEREUQCSA-N -1 1 309.366 0.694 20 0 DCADMM C[C@H]1CN(C(=O)CN(C)[C@@H]2CCSC2)CC[C@H]1C(=O)[O-] ZINC001599916553 985065922 /nfs/dbraw/zinc/06/59/22/985065922.db2.gz PCCOKXCBHGEMDB-QJPTWQEYSA-N -1 1 300.424 0.993 20 0 DCADMM CC(=O)CCn1cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])nn1 ZINC001589041458 985105145 /nfs/dbraw/zinc/10/51/45/985105145.db2.gz YTLCRRITBPVZKE-YUTCNCBUSA-N -1 1 306.366 0.942 20 0 DCADMM C[C@H]1CN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C[C@]1(C)C(=O)[O-] ZINC001599923375 985167813 /nfs/dbraw/zinc/16/78/13/985167813.db2.gz AFSDAMZYXKZZBP-VFZGTOFNSA-N -1 1 317.349 0.993 20 0 DCADMM CC(C)[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ncccc1[O-] ZINC001384212693 985441369 /nfs/dbraw/zinc/44/13/69/985441369.db2.gz AGOVXCMWDMOUJT-NWDGAFQWSA-N -1 1 323.393 0.628 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc3nccn32)CCN1CCC(=O)[O-] ZINC001594493500 985614147 /nfs/dbraw/zinc/61/41/47/985614147.db2.gz BRMVYPUCXNEXLI-GFCCVEGCSA-N -1 1 316.361 0.955 20 0 DCADMM CC(=O)Nc1ccc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC001589195065 985615279 /nfs/dbraw/zinc/61/52/79/985615279.db2.gz QASYFCHWSGQBFT-UWVGGRQHSA-N -1 1 307.350 0.712 20 0 DCADMM CC(=O)[C@H]1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001589234126 985792227 /nfs/dbraw/zinc/79/22/27/985792227.db2.gz QOPXFYWJZHPDGS-KYZUINATSA-N -1 1 316.335 0.799 20 0 DCADMM Cc1[nH]c(CN2CCC(C(=O)NCCO)CC2)cc1C(=O)[O-] ZINC001599961783 985794935 /nfs/dbraw/zinc/79/49/35/985794935.db2.gz IPHBKBRDUKBGQL-UHFFFAOYSA-N -1 1 309.366 0.342 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CCc1cnccn1 ZINC001594514357 985834672 /nfs/dbraw/zinc/83/46/72/985834672.db2.gz FUZHXWKCZDZORC-LBPRGKRZSA-N -1 1 306.366 0.417 20 0 DCADMM C[C@H]1CN(CCO)CCN1CCOc1ccccc1C(=O)[O-] ZINC001594531615 986123693 /nfs/dbraw/zinc/12/36/93/986123693.db2.gz MQVFZQIKPGUETG-ZDUSSCGKSA-N -1 1 308.378 0.762 20 0 DCADMM O=C(COCC1CC1)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385307662 986238630 /nfs/dbraw/zinc/23/86/30/986238630.db2.gz SPIUAWQBBGQOII-GFCCVEGCSA-N -1 1 319.361 0.545 20 0 DCADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@H](n2cncn2)C1 ZINC001589351413 986318134 /nfs/dbraw/zinc/31/81/34/986318134.db2.gz ZJJALODEMIOPGM-YPMHNXCESA-N -1 1 321.381 0.237 20 0 DCADMM C[C@H]1CN2CCN1C[C@H]2C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001594584371 986461491 /nfs/dbraw/zinc/46/14/91/986461491.db2.gz FQAZPWGJZZWUSF-JFILPPLUSA-N -1 1 307.394 0.231 20 0 DCADMM CC(C)(O)CC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001385711192 986540611 /nfs/dbraw/zinc/54/06/11/986540611.db2.gz NZJYGISGZYGFNG-NSHDSACASA-N -1 1 321.377 0.573 20 0 DCADMM C[C@H](C(=O)NCCc1ccccc1)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001589409283 986602116 /nfs/dbraw/zinc/60/21/16/986602116.db2.gz ARCHFGJIHQXKJW-SNPRPXQTSA-N -1 1 320.389 0.501 20 0 DCADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(O)CC1 ZINC001589414706 986637051 /nfs/dbraw/zinc/63/70/51/986637051.db2.gz LAUSXZCPTJUVME-NSHDSACASA-N -1 1 306.362 0.846 20 0 DCADMM C[C@@H]1NCCN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])[C@H]1C ZINC001594632581 986740949 /nfs/dbraw/zinc/74/09/49/986740949.db2.gz OBCHMRAIDMMNCF-IUCAKERBSA-N -1 1 316.354 0.895 20 0 DCADMM Cc1nn(C)cc1C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001386199412 986946171 /nfs/dbraw/zinc/94/61/71/986946171.db2.gz IILRCQQGLAJOJA-SECBINFHSA-N -1 1 317.349 0.377 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)Cc1ccco1 ZINC001386246294 986993920 /nfs/dbraw/zinc/99/39/20/986993920.db2.gz XTZDCRKURNRURQ-SNVBAGLBSA-N -1 1 303.318 0.857 20 0 DCADMM CCS(=O)(=O)N1CCN(CCC(C)(C)C(=O)[O-])[C@H](C)C1 ZINC001597222173 987157663 /nfs/dbraw/zinc/15/76/63/987157663.db2.gz ZDGIJZYKEUAYGX-LLVKDONJSA-N -1 1 306.428 0.843 20 0 DCADMM COCCC(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001386551229 987211595 /nfs/dbraw/zinc/21/15/95/987211595.db2.gz NERXBPAHZMLFFL-LLVKDONJSA-N -1 1 307.350 0.402 20 0 DCADMM CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001386557627 987215380 /nfs/dbraw/zinc/21/53/80/987215380.db2.gz NAFRSJVUBHUCED-JULQROHOSA-N -1 1 321.352 0.968 20 0 DCADMM COCCC(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001386577086 987225739 /nfs/dbraw/zinc/22/57/39/987225739.db2.gz RBDQYDYRIODEHI-UHFFFAOYSA-N -1 1 321.377 0.981 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CCCOC1 ZINC001386742993 987360594 /nfs/dbraw/zinc/36/05/94/987360594.db2.gz NYVWTARIRVOLMQ-GHMZBOCLSA-N -1 1 307.350 0.448 20 0 DCADMM CCc1[nH]ccc1C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001597398187 987650200 /nfs/dbraw/zinc/65/02/00/987650200.db2.gz FGZIBPGKBDVGED-UHFFFAOYSA-N -1 1 322.409 0.351 20 0 DCADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CO[C@@H](C)C1 ZINC001387183435 987688125 /nfs/dbraw/zinc/68/81/25/987688125.db2.gz WHEKJPVHRUQFSY-NWDGAFQWSA-N -1 1 321.377 0.791 20 0 DCADMM CCc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)nn1 ZINC001597427440 987757923 /nfs/dbraw/zinc/75/79/23/987757923.db2.gz DRSFTLSHDYQYQL-LLVKDONJSA-N -1 1 320.393 0.968 20 0 DCADMM CO[C@@H](C)C(=O)NC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001387335934 987776145 /nfs/dbraw/zinc/77/61/45/987776145.db2.gz MRVBXGPVVKAGCA-WDEREUQCSA-N -1 1 307.350 0.543 20 0 DCADMM CO[C@@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387614038 987941386 /nfs/dbraw/zinc/94/13/86/987941386.db2.gz PJESZLFQUBQICF-RYUDHWBXSA-N -1 1 321.377 0.743 20 0 DCADMM CCc1nc(C(=O)N(C)c2nn[n-]n2)nn1-c1ccccc1F ZINC001532481465 1015352222 /nfs/dbraw/zinc/35/22/22/1015352222.db2.gz XNCQKRSAFZYLKI-UHFFFAOYSA-N -1 1 316.300 0.759 20 0 DCADMM CCO[C@@H](C(=O)NC1CN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001387736625 988101570 /nfs/dbraw/zinc/10/15/70/988101570.db2.gz XEGZXDWRMWFEQK-CQSZACIVSA-N -1 1 319.361 0.543 20 0 DCADMM Cc1n[nH]cc1C(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001388433617 988306785 /nfs/dbraw/zinc/30/67/85/988306785.db2.gz OUSUOSPJQMBHFC-SECBINFHSA-N -1 1 317.349 0.615 20 0 DCADMM COCCCC(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001527090921 1015390360 /nfs/dbraw/zinc/39/03/60/1015390360.db2.gz UMKWHZXIRQRQMC-GFCCVEGCSA-N -1 1 321.377 0.792 20 0 DCADMM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCN1 ZINC001599852138 989029455 /nfs/dbraw/zinc/02/94/55/989029455.db2.gz ISFQSWQLSYAUCW-MRVPVSSYSA-N -1 1 309.297 0.283 20 0 DCADMM C[C@@H]1CN(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)CCN1 ZINC001599857479 989112263 /nfs/dbraw/zinc/11/22/63/989112263.db2.gz NLBAAYIMWOUWSG-AKUZOMFGSA-N -1 1 311.382 0.402 20 0 DCADMM Cc1nc(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])c(C)o1 ZINC001389327266 989122642 /nfs/dbraw/zinc/12/26/42/989122642.db2.gz KMZUESXKELDDTC-QMMMGPOBSA-N -1 1 318.333 0.940 20 0 DCADMM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001389326101 989122687 /nfs/dbraw/zinc/12/26/87/989122687.db2.gz CXHPFFXNKYOWGR-ZETCQYMHSA-N -1 1 319.321 0.073 20 0 DCADMM O=C(Cc1cccs1)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001389553909 989379547 /nfs/dbraw/zinc/37/95/47/989379547.db2.gz JJLBLOJVBWRUFU-LLVKDONJSA-N -1 1 321.406 0.799 20 0 DCADMM CN(CCN(C)C(=O)C1=CCOCC1)C(=O)c1ncccc1[O-] ZINC001532952718 1015477197 /nfs/dbraw/zinc/47/71/97/1015477197.db2.gz OKSUHFFEMVZMMO-UHFFFAOYSA-N -1 1 319.361 0.664 20 0 DCADMM C[C@H]1OCC[C@@H]1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001532952663 1015477263 /nfs/dbraw/zinc/47/72/63/1015477263.db2.gz MLLDWIHSENLLKR-NEPJUHHUSA-N -1 1 321.377 0.743 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cn[nH]c1 ZINC001390380593 990042499 /nfs/dbraw/zinc/04/24/99/990042499.db2.gz LVXANXZWTVLZRW-SNVBAGLBSA-N -1 1 303.322 0.449 20 0 DCADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC001390480450 990137033 /nfs/dbraw/zinc/13/70/33/990137033.db2.gz RVSHOZMUDLOETI-UHTWSYAYSA-N -1 1 315.377 0.908 20 0 DCADMM C[C@@H](CNC(=O)[C@H](C)Oc1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC001390517737 990167339 /nfs/dbraw/zinc/16/73/39/990167339.db2.gz FFFOOZTWTNELSR-QWRGUYRKSA-N -1 1 319.365 0.572 20 0 DCADMM CC(C)(CO)[C@@H](NCC(=O)NCCC(=O)[O-])c1ccccc1 ZINC001590779252 990585674 /nfs/dbraw/zinc/58/56/74/990585674.db2.gz LLGSMRLMSMNQQT-HNNXBMFYSA-N -1 1 308.378 0.927 20 0 DCADMM CN(C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1nn[n-]n1 ZINC001552962291 1015577713 /nfs/dbraw/zinc/57/77/13/1015577713.db2.gz VRVSVGQGGSVCKJ-UHFFFAOYSA-N -1 1 300.322 0.730 20 0 DCADMM CN(C)[C@@]1(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CCSC1 ZINC001598182792 990746267 /nfs/dbraw/zinc/74/62/67/990746267.db2.gz JUEWYZGMCIKVNB-LLVKDONJSA-N -1 1 322.452 0.350 20 0 DCADMM CO[C@]12CCC[C@]1(C(=O)N1CCC(c3nn[n-]n3)CC1)CCO2 ZINC001552991115 1015587083 /nfs/dbraw/zinc/58/70/83/1015587083.db2.gz YWFCNMCIMMPCIU-CABCVRRESA-N -1 1 321.381 0.839 20 0 DCADMM CN(C)C[C@@H]1CCCN1S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598207621 990842488 /nfs/dbraw/zinc/84/24/88/990842488.db2.gz HCJZERNLHUDIQZ-AVGNSLFASA-N -1 1 318.439 0.986 20 0 DCADMM C[C@@H](CC(=O)NCC1CN(Cc2nc(=O)n(C)[n-]2)C1)C1CC1 ZINC001391512930 990907372 /nfs/dbraw/zinc/90/73/72/990907372.db2.gz CFDAVLJXJXEOES-JTQLQIEISA-N -1 1 307.398 0.093 20 0 DCADMM CC(C)[C@](C)(NCC(=O)N(C)c1ccccc1C(=O)[O-])C(N)=O ZINC001590967983 991087752 /nfs/dbraw/zinc/08/77/52/991087752.db2.gz LDMBHWBRMYTAPH-INIZCTEOSA-N -1 1 321.377 0.837 20 0 DCADMM CC[C@@H](CNC(=O)CCc1ccoc1)NCc1n[nH]c(=O)[n-]1 ZINC001391690193 991100170 /nfs/dbraw/zinc/10/01/70/991100170.db2.gz XJNRPHSCPHAUBO-NSHDSACASA-N -1 1 307.354 0.721 20 0 DCADMM CCc1cc(C(=O)NC[C@@H](CC)NCc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001391738585 991146795 /nfs/dbraw/zinc/14/67/95/991146795.db2.gz YDHITYKVHWIQBG-SNVBAGLBSA-N -1 1 321.385 0.104 20 0 DCADMM CC(C)[C@@H](CNC(=O)c1ccc(C(=O)[O-])o1)N1CCN(C)CC1 ZINC001590987897 991175869 /nfs/dbraw/zinc/17/58/69/991175869.db2.gz ASNFVGLKQKTQNT-GFCCVEGCSA-N -1 1 323.393 0.980 20 0 DCADMM CC(C)[C@H](N[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O)C(=O)[O-] ZINC001591024546 991317344 /nfs/dbraw/zinc/31/73/44/991317344.db2.gz UKWIRAMGLINXKN-PWSUYJOCSA-N -1 1 314.382 0.628 20 0 DCADMM CN(C)c1ccnc(CNC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001598346644 991424809 /nfs/dbraw/zinc/42/48/09/991424809.db2.gz VEBCOQXNYOWUHE-GWCFXTLKSA-N -1 1 322.365 0.125 20 0 DCADMM COc1ccccc1N1CC[C@H](N[C@H]2CCO[C@H]2C(=O)[O-])C1=O ZINC001599715057 991439656 /nfs/dbraw/zinc/43/96/56/991439656.db2.gz SPGJXKKPENZUSQ-COPLHBTASA-N -1 1 320.345 0.632 20 0 DCADMM CN(C)c1ncccc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001598358744 991480899 /nfs/dbraw/zinc/48/08/99/991480899.db2.gz LVKGHVGFPMBRHG-LLVKDONJSA-N -1 1 303.322 0.296 20 0 DCADMM CN(CC(=O)[O-])C(=O)CC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC001598404373 991710474 /nfs/dbraw/zinc/71/04/74/991710474.db2.gz FCNWACODTFZHKT-TUAOUCFPSA-N -1 1 312.366 0.637 20 0 DCADMM COc1nsc(CN2CC[C@@]3(CNC(=O)C3)C2)c1C(=O)[O-] ZINC001599740583 991845979 /nfs/dbraw/zinc/84/59/79/991845979.db2.gz YOCMPWDJQGOOQI-CYBMUJFWSA-N -1 1 311.363 0.562 20 0 DCADMM C[C@H](CNCc1noc(C2CC2)n1)NC(=O)c1ncccc1[O-] ZINC001392476973 991978799 /nfs/dbraw/zinc/97/87/99/991978799.db2.gz MAAQFFLZJVJVCC-SECBINFHSA-N -1 1 317.349 0.956 20 0 DCADMM CS(=O)(=O)CCCN1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001599750729 991987182 /nfs/dbraw/zinc/98/71/82/991987182.db2.gz FZRURJCUYJBHND-UHFFFAOYSA-N -1 1 304.368 0.117 20 0 DCADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)Cc1cnoc1 ZINC001392553606 992084223 /nfs/dbraw/zinc/08/42/23/992084223.db2.gz CYDOQBGYSVHXNE-SECBINFHSA-N -1 1 304.306 0.252 20 0 DCADMM CS(=O)(=O)Nc1ccc(C(=O)OCCCCC(=O)[O-])cn1 ZINC001599760880 992119698 /nfs/dbraw/zinc/11/96/98/992119698.db2.gz QMABPOGQLJYLLM-UHFFFAOYSA-N -1 1 316.335 0.865 20 0 DCADMM Cc1occc1C(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001392631476 992179107 /nfs/dbraw/zinc/17/91/07/992179107.db2.gz XQASMIRWCCSFQL-VIFPVBQESA-N -1 1 307.354 0.260 20 0 DCADMM CN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H]1CCCCN1C ZINC001598495326 992350786 /nfs/dbraw/zinc/35/07/86/992350786.db2.gz FHHPXUPJJVLZCW-LBPRGKRZSA-N -1 1 321.381 0.529 20 0 DCADMM CC(C)Cn1[nH]c(CC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1=O ZINC001591497800 992635149 /nfs/dbraw/zinc/63/51/49/992635149.db2.gz IYVZPTJGXGQDBU-KLPPZKSPSA-N -1 1 309.366 0.697 20 0 DCADMM CC(C)N(CCC(=O)[O-])S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC001591589311 992798697 /nfs/dbraw/zinc/79/86/97/992798697.db2.gz JNLAKRHOLZBAPL-AWEZNQCLSA-N -1 1 318.439 0.987 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)CCC2CC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001393786890 993252673 /nfs/dbraw/zinc/25/26/73/993252673.db2.gz SPIMLXIBECXAKQ-YPMHNXCESA-N -1 1 321.425 0.768 20 0 DCADMM CN1C[C@@H]2CCN(S(=O)(=O)C3CCC(C(=O)[O-])CC3)[C@@H]2C1 ZINC001598574482 993253711 /nfs/dbraw/zinc/25/37/11/993253711.db2.gz JRXPUFXKUXJIEV-PYNQCMFNSA-N -1 1 316.423 0.596 20 0 DCADMM Cc1nc(C)c(C(=O)N[C@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)o1 ZINC001393919758 993343344 /nfs/dbraw/zinc/34/33/44/993343344.db2.gz KLIGUIUVNAIBIL-NKWVEPMBSA-N -1 1 308.342 0.412 20 0 DCADMM CCc1nc(C(=O)N[C@H](C)[C@H](C)NCc2n[nH]c(=O)[n-]2)co1 ZINC001393939550 993360701 /nfs/dbraw/zinc/36/07/01/993360701.db2.gz RPNLOXQYUYKTHX-JGVFFNPUSA-N -1 1 308.342 0.357 20 0 DCADMM CN1CC[C@H]1CNC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001598588909 993424252 /nfs/dbraw/zinc/42/42/52/993424252.db2.gz MFKOKOASIMCPHB-ZDUSSCGKSA-N -1 1 319.361 0.993 20 0 DCADMM CN1CC[C@H]1CNC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001598589045 993425453 /nfs/dbraw/zinc/42/54/53/993425453.db2.gz QIPUJJHTFOKONB-OOLXCHQQSA-N -1 1 311.382 0.402 20 0 DCADMM CN1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-] ZINC001598600777 993569138 /nfs/dbraw/zinc/56/91/38/993569138.db2.gz SMMAYGDPOZLXQJ-STQMWFEESA-N -1 1 306.362 0.988 20 0 DCADMM CN(CCNC(=O)c1c[nH]cc1C1CC1)Cc1nc(=O)n(C)[n-]1 ZINC001399624477 993615506 /nfs/dbraw/zinc/61/55/06/993615506.db2.gz NJYDUJDVSUHODI-UHFFFAOYSA-N -1 1 318.381 0.176 20 0 DCADMM CCN(CCNC(=O)c1cccs1)Cc1nc(=O)n(C)[n-]1 ZINC001399698049 993681569 /nfs/dbraw/zinc/68/15/69/993681569.db2.gz KHCOOIXQDPXBAY-UHFFFAOYSA-N -1 1 309.395 0.422 20 0 DCADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NCc1ncccn1 ZINC001394461927 993730433 /nfs/dbraw/zinc/73/04/33/993730433.db2.gz AIZATOXVIRMQSM-LLVKDONJSA-N -1 1 301.350 0.828 20 0 DCADMM C[C@H](CN(C)C(=O)C1CC(F)(F)C1)NCc1n[nH]c(=O)[n-]1 ZINC001394480837 993753111 /nfs/dbraw/zinc/75/31/11/993753111.db2.gz WGIDTHPTOFOLMT-SSDOTTSWSA-N -1 1 303.313 0.492 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)[C@H]2C[C@@H]2C2CC2)CC1 ZINC001598615378 993868558 /nfs/dbraw/zinc/86/85/58/993868558.db2.gz CEWNNMCQOXNRKK-KGLIPLIRSA-N -1 1 309.410 0.193 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)CCC2CCC2)CC1 ZINC001598617853 993927044 /nfs/dbraw/zinc/92/70/44/993927044.db2.gz IVYVYZXUMULCHM-UHFFFAOYSA-N -1 1 311.426 0.727 20 0 DCADMM 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Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc2cnn(C)c2c1 ZINC000574213585 417480550 /nfs/dbraw/zinc/48/05/50/417480550.db2.gz NAFYBQAFHZGNDH-UHFFFAOYSA-N -1 1 321.362 0.930 20 0 DCADMM CCCc1cc(=O)n2[n-]c(NC(=O)C[C@H](C)COC)nc2n1 ZINC000622997313 417524544 /nfs/dbraw/zinc/52/45/44/417524544.db2.gz UKZWRXMPYOQGRH-VIFPVBQESA-N -1 1 307.354 0.981 20 0 DCADMM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000576327987 417600561 /nfs/dbraw/zinc/60/05/61/417600561.db2.gz IRRVHRPVMJBUFW-ZJUUUORDSA-N -1 1 304.281 0.948 20 0 DCADMM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000576327987 417600565 /nfs/dbraw/zinc/60/05/65/417600565.db2.gz IRRVHRPVMJBUFW-ZJUUUORDSA-N -1 1 304.281 0.948 20 0 DCADMM CS(=O)(=O)NCCN(CC(=O)[O-])Cc1ccc(F)cc1 ZINC000576473314 417612004 /nfs/dbraw/zinc/61/20/04/417612004.db2.gz SYJBPJOHEYFGEA-UHFFFAOYSA-N -1 1 304.343 0.262 20 0 DCADMM O=C(C(=O)N1CCC(N2CCOCC2)CC1)c1ccc([O-])cc1 ZINC000628122669 417576713 /nfs/dbraw/zinc/57/67/13/417576713.db2.gz 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CC[C@@H](COCC(F)(F)F)NC(=O)CCCc1nn[n-]n1 ZINC000635975260 417822571 /nfs/dbraw/zinc/82/25/71/417822571.db2.gz OAZQUAKMBKTJSR-QMMMGPOBSA-N -1 1 309.292 0.996 20 0 DCADMM CN1CCN(C(=O)c2cnc([O-])n(C)c2=O)C[C@@H]1C(C)(C)C ZINC000640615135 417887377 /nfs/dbraw/zinc/88/73/77/417887377.db2.gz MCCHNUZONCMHFZ-LLVKDONJSA-N -1 1 308.382 0.288 20 0 DCADMM CNS(=O)(=O)c1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000646411662 417846196 /nfs/dbraw/zinc/84/61/96/417846196.db2.gz MOMDOLQMNBZXEM-UHFFFAOYSA-N -1 1 310.335 0.584 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000646412704 417846603 /nfs/dbraw/zinc/84/66/03/417846603.db2.gz KJYDPMFTDDORRN-UHFFFAOYSA-N -1 1 306.297 0.860 20 0 DCADMM CC1(C(=O)[O-])CCN(c2cc(-n3cccn3)nc(N)n2)CC1 ZINC000647457610 418012505 /nfs/dbraw/zinc/01/25/05/418012505.db2.gz RVUNMYAAUSOZGR-UHFFFAOYSA-N -1 1 302.338 0.766 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccnc(OC)c2)o1 ZINC000647745198 418049625 /nfs/dbraw/zinc/04/96/25/418049625.db2.gz 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O=C([O-])C1(C(=O)NC[C@@H]2CN3CCN2CCC3)CCCCCC1 ZINC000663134572 417995271 /nfs/dbraw/zinc/99/52/71/417995271.db2.gz FFOOPWLFXQNZGD-CQSZACIVSA-N -1 1 323.437 0.918 20 0 DCADMM C[C@@H]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ncnn21 ZINC000664313498 418111192 /nfs/dbraw/zinc/11/11/92/418111192.db2.gz KYWQVLNNNKFCSA-KCJUWKMLSA-N -1 1 310.317 0.950 20 0 DCADMM Cc1cc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)[nH]n1 ZINC000653312043 418056936 /nfs/dbraw/zinc/05/69/36/418056936.db2.gz DXVZVDWZSOKVDD-SNVBAGLBSA-N -1 1 320.349 0.256 20 0 DCADMM CN(C[C@H]1COCCO1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000664369266 418118857 /nfs/dbraw/zinc/11/88/57/418118857.db2.gz ZALLFCSRXKKXLE-JTQLQIEISA-N -1 1 303.318 0.411 20 0 DCADMM CN(C[C@@H]1COCCO1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000664369267 418119886 /nfs/dbraw/zinc/11/98/86/418119886.db2.gz ZALLFCSRXKKXLE-SNVBAGLBSA-N -1 1 303.318 0.411 20 0 DCADMM CN1C[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C(=O)N1 ZINC000649393711 418250225 /nfs/dbraw/zinc/25/02/25/418250225.db2.gz SQGLENZCFIEFOQ-MRVPVSSYSA-N -1 1 303.240 0.486 20 0 DCADMM C[C@@H]1CN(c2cc(-n3cccn3)nc(N)n2)CC[C@@H]1C(=O)[O-] ZINC000649404312 418251097 /nfs/dbraw/zinc/25/10/97/418251097.db2.gz GNGRWPHLNJYPID-ZJUUUORDSA-N -1 1 302.338 0.622 20 0 DCADMM CC[C@@H](C)c1nc(C)c(CC(=O)NCc2nn[n-]n2)c(C)n1 ZINC000654771870 418186588 /nfs/dbraw/zinc/18/65/88/418186588.db2.gz GZNGQVYONAZQIA-MRVPVSSYSA-N -1 1 303.370 0.979 20 0 DCADMM Cc1noc(C[N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)n1 ZINC000659951671 418206131 /nfs/dbraw/zinc/20/61/31/418206131.db2.gz HIDBQICMFYCROZ-LBPRGKRZSA-N -1 1 319.383 0.382 20 0 DCADMM CC1(C)CNC(=O)[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000660016600 418218540 /nfs/dbraw/zinc/21/85/40/418218540.db2.gz HPUUKWCMWDBUEM-SNVBAGLBSA-N -1 1 304.318 0.768 20 0 DCADMM CC[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@H]1CCCCO1 ZINC000655347325 418254032 /nfs/dbraw/zinc/25/40/32/418254032.db2.gz JEQQPSUGVOGUCT-DTWKUNHWSA-N -1 1 311.338 0.974 20 0 DCADMM NC(=O)[C@@]1([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCOC1 ZINC000655657923 418285976 /nfs/dbraw/zinc/28/59/76/418285976.db2.gz ITBNAYDDQCOZSS-LLVKDONJSA-N -1 1 324.280 0.027 20 0 DCADMM Cc1ccccc1OCCN(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662202178 418388289 /nfs/dbraw/zinc/38/82/89/418388289.db2.gz XNOAMTDYYWMPJH-ZDUSSCGKSA-N -1 1 306.362 0.991 20 0 DCADMM O=C([O-])CN1CC[C@H](N(CCO)[C@H]2CCc3ccccc32)C1=O ZINC000662206759 418388577 /nfs/dbraw/zinc/38/85/77/418388577.db2.gz SHQBCIBYQKESIC-GJZGRUSLSA-N -1 1 318.373 0.654 20 0 DCADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2(C)C)o1 ZINC000492022211 287561021 /nfs/dbraw/zinc/56/10/21/287561021.db2.gz IGEZCRCCWXQSJV-VHSXEESVSA-N -1 1 317.363 0.894 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OC[C@@H]1CNC(=O)O1 ZINC000495714393 287599154 /nfs/dbraw/zinc/59/91/54/287599154.db2.gz APYCRQJKMRQEEO-VIFPVBQESA-N -1 1 320.305 0.246 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCCCO ZINC000193306555 261141593 /nfs/dbraw/zinc/14/15/93/261141593.db2.gz QAUMDLWNFVQVIE-UHFFFAOYSA-N -1 1 306.366 0.461 20 0 DCADMM CCOc1ccccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000354696660 261261725 /nfs/dbraw/zinc/26/17/25/261261725.db2.gz DEFNHCLYZDAXEG-UHFFFAOYSA-N -1 1 310.335 0.859 20 0 DCADMM CCOc1ccccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000354696660 261261728 /nfs/dbraw/zinc/26/17/28/261261728.db2.gz DEFNHCLYZDAXEG-UHFFFAOYSA-N -1 1 310.335 0.859 20 0 DCADMM CC(C)(NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1nn[n-]n1 ZINC000354794721 261272467 /nfs/dbraw/zinc/27/24/67/261272467.db2.gz BBZKHJDTDALWST-UHFFFAOYSA-N -1 1 324.366 0.236 20 0 DCADMM Cc1nn(C)c2nc(C)c(C(=O)NC(C)(C)c3nn[n-]n3)cc12 ZINC000354802621 261273270 /nfs/dbraw/zinc/27/32/70/261273270.db2.gz LMKXHEWNOXJGSJ-UHFFFAOYSA-N -1 1 314.353 0.763 20 0 DCADMM COc1cc(NC(=O)N[C@@H](C)CO)ccc1[N-]S(C)(=O)=O ZINC000355004389 261295189 /nfs/dbraw/zinc/29/51/89/261295189.db2.gz KGZKZLHNVAWEGC-QMMMGPOBSA-N -1 1 317.367 0.569 20 0 DCADMM CCC[C@@H](NC(=O)c1cnc(C(=O)OC)cn1)c1nn[n-]n1 ZINC000355168557 261314529 /nfs/dbraw/zinc/31/45/29/261314529.db2.gz TYROFNPIGTYLRG-SSDOTTSWSA-N -1 1 305.298 0.048 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@H](n2cccn2)C1 ZINC000361097250 261896007 /nfs/dbraw/zinc/89/60/07/261896007.db2.gz OOYXDXQTNVEWCM-LLVKDONJSA-N -1 1 315.333 0.187 20 0 DCADMM CCn1ccnc1[C@H]1OCC[C@H]1C(=O)NC(C)(C)c1nn[n-]n1 ZINC000362816376 262075907 /nfs/dbraw/zinc/07/59/07/262075907.db2.gz AXFAWODRNCZJHY-ZJUUUORDSA-N -1 1 319.369 0.545 20 0 DCADMM CCCn1nc(C)c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1C ZINC000362822205 262076870 /nfs/dbraw/zinc/07/68/70/262076870.db2.gz ITEDCKAIQSLELR-NSHDSACASA-N -1 1 319.369 0.637 20 0 DCADMM Cn1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)nn1 ZINC000362974136 262091976 /nfs/dbraw/zinc/09/19/76/262091976.db2.gz ZFRQNEFMENQHDD-UHFFFAOYSA-N -1 1 313.314 0.578 20 0 DCADMM O=C(Cc1ccccc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363395163 262114253 /nfs/dbraw/zinc/11/42/53/262114253.db2.gz ICMSBHQVYDPJIH-LLVKDONJSA-N -1 1 307.741 0.996 20 0 DCADMM COc1ccc(OC)c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000363396705 262114514 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C[C@@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1cnn(C)c1 ZINC000674265519 547574023 /nfs/dbraw/zinc/57/40/23/547574023.db2.gz UQRBNXBFGKQURG-MFKMUULPSA-N -1 1 311.349 0.943 20 0 DCADMM CCC[C@H](NC(=O)CNC(=O)Nc1ccccc1)c1nn[n-]n1 ZINC000675144911 547665186 /nfs/dbraw/zinc/66/51/86/547665186.db2.gz VWHLYWJNWXVCSP-NSHDSACASA-N -1 1 317.353 0.979 20 0 DCADMM O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677047541 547841694 /nfs/dbraw/zinc/84/16/94/547841694.db2.gz ARGQBYGFVMDZEX-SECBINFHSA-N -1 1 301.354 0.821 20 0 DCADMM CC(C)[C@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)N1CCCC1=O ZINC000677047608 547841804 /nfs/dbraw/zinc/84/18/04/547841804.db2.gz FVOVOWCJGMTWBQ-WCQYABFASA-N -1 1 320.397 0.553 20 0 DCADMM O=C(NCc1nn[n-]n1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000677425088 547875983 /nfs/dbraw/zinc/87/59/83/547875983.db2.gz XBJGTEFGHCNGSH-UHFFFAOYSA-N -1 1 303.713 0.969 20 0 DCADMM CN(C)[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cccc(F)c1 ZINC000677948132 547926190 /nfs/dbraw/zinc/92/61/90/547926190.db2.gz KIKHGZMLMRWPAO-SNVBAGLBSA-N -1 1 321.312 0.455 20 0 DCADMM O=C(NCCN1CCc2ccccc2C1)c1n[nH]c(=O)[n-]c1=O ZINC000677949348 547927385 /nfs/dbraw/zinc/92/73/85/547927385.db2.gz PTSZLPMTVHMWSS-UHFFFAOYSA-N -1 1 315.333 0.071 20 0 DCADMM CN1CCCC[C@@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000679114208 548026082 /nfs/dbraw/zinc/02/60/82/548026082.db2.gz SPRSZASRVYIJES-LLVKDONJSA-N -1 1 313.379 0.462 20 0 DCADMM COCCc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)[nH]n2)cc1 ZINC000679204593 548033372 /nfs/dbraw/zinc/03/33/72/548033372.db2.gz MJJWQDGZPDWEND-UHFFFAOYSA-N -1 1 324.362 0.498 20 0 DCADMM Cn1nnnc1CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000680976515 548190359 /nfs/dbraw/zinc/19/03/59/548190359.db2.gz MAMMNDCJTYATFL-UHFFFAOYSA-N -1 1 319.749 0.524 20 0 DCADMM C[C@@H](CN(C)C(=O)CN(C)c1ccc(Cl)cn1)c1nn[n-]n1 ZINC000681352452 548240272 /nfs/dbraw/zinc/24/02/72/548240272.db2.gz BLBPGIBQTBEJLU-VIFPVBQESA-N -1 1 323.788 0.946 20 0 DCADMM COc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)nn1C ZINC000681513776 548255461 /nfs/dbraw/zinc/25/54/61/548255461.db2.gz DCTDIHUKZBHGLJ-GFCCVEGCSA-N -1 1 313.321 0.461 20 0 DCADMM Cc1ccn(CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c(=O)c1 ZINC000683681332 548509846 /nfs/dbraw/zinc/50/98/46/548509846.db2.gz WOSHQPZMPINBSG-HNNXBMFYSA-N -1 1 324.344 0.576 20 0 DCADMM CC(C)(C)C(=O)NC1CCC(C(=O)NCc2nn[n-]n2)CC1 ZINC000684048756 548559760 /nfs/dbraw/zinc/55/97/60/548559760.db2.gz DWKKZYYHKYRQKT-UHFFFAOYSA-N -1 1 308.386 0.537 20 0 DCADMM NC(=O)COCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876978 548656471 /nfs/dbraw/zinc/65/64/71/548656471.db2.gz IOHRMPLQDVSZGJ-UHFFFAOYSA-N -1 1 306.240 0.643 20 0 DCADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)CC1(C)OCCO1 ZINC000736026949 598933014 /nfs/dbraw/zinc/93/30/14/598933014.db2.gz SLZSKKSIFRPLOX-VIFPVBQESA-N -1 1 305.342 0.858 20 0 DCADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)CC1(C)OCCO1 ZINC000736026949 598933016 /nfs/dbraw/zinc/93/30/16/598933016.db2.gz SLZSKKSIFRPLOX-VIFPVBQESA-N -1 1 305.342 0.858 20 0 DCADMM CC(C)NC(=O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735888224 598955080 /nfs/dbraw/zinc/95/50/80/598955080.db2.gz IUSXJBZGNWTYSG-UHFFFAOYSA-N -1 1 312.337 0.746 20 0 DCADMM CC(C)NC(=O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735888224 598955081 /nfs/dbraw/zinc/95/50/81/598955081.db2.gz IUSXJBZGNWTYSG-UHFFFAOYSA-N -1 1 312.337 0.746 20 0 DCADMM CCCc1ncc(C(=O)n2ncc(-c3nn[n-]n3)c2N)s1 ZINC000821143349 599315564 /nfs/dbraw/zinc/31/55/64/599315564.db2.gz SBMVRUQJDMGVAE-UHFFFAOYSA-N -1 1 304.339 0.743 20 0 DCADMM NC(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737761524 598983729 /nfs/dbraw/zinc/98/37/29/598983729.db2.gz ZRUVICOGRSPARR-UHFFFAOYSA-N -1 1 323.316 0.291 20 0 DCADMM NC(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737761524 598983730 /nfs/dbraw/zinc/98/37/30/598983730.db2.gz ZRUVICOGRSPARR-UHFFFAOYSA-N -1 1 323.316 0.291 20 0 DCADMM CN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736787043 599028406 /nfs/dbraw/zinc/02/84/06/599028406.db2.gz DWUXZYZKRRKRRK-UHFFFAOYSA-N -1 1 318.337 0.675 20 0 DCADMM CN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736787043 599028408 /nfs/dbraw/zinc/02/84/08/599028408.db2.gz DWUXZYZKRRKRRK-UHFFFAOYSA-N -1 1 318.337 0.675 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCCCC1 ZINC000738039443 599028853 /nfs/dbraw/zinc/02/88/53/599028853.db2.gz PHBDGLUTFHCABX-UHFFFAOYSA-N -1 1 315.337 0.004 20 0 DCADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCCCC1 ZINC000738039443 599028855 /nfs/dbraw/zinc/02/88/55/599028855.db2.gz PHBDGLUTFHCABX-UHFFFAOYSA-N -1 1 315.337 0.004 20 0 DCADMM CC1(C)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]2CCO[C@H]21 ZINC000736207037 599039102 /nfs/dbraw/zinc/03/91/02/599039102.db2.gz QGJXAKRNULOWQS-MVWJERBFSA-N -1 1 314.349 0.805 20 0 DCADMM CC1(C)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]2CCO[C@H]21 ZINC000736207037 599039105 /nfs/dbraw/zinc/03/91/05/599039105.db2.gz QGJXAKRNULOWQS-MVWJERBFSA-N -1 1 314.349 0.805 20 0 DCADMM COCCOC[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000821691808 599085494 /nfs/dbraw/zinc/08/54/94/599085494.db2.gz FRULTEUZLSFCNQ-NSHDSACASA-N -1 1 304.354 0.751 20 0 DCADMM COCCOC[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000821691808 599085497 /nfs/dbraw/zinc/08/54/97/599085497.db2.gz FRULTEUZLSFCNQ-NSHDSACASA-N -1 1 304.354 0.751 20 0 DCADMM O=C(NC[C@@H]1CCC[C@H](O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738045553 599101080 /nfs/dbraw/zinc/10/10/80/599101080.db2.gz QSEREEHNNVCOHJ-KOLCDFICSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@@H]1CCC[C@H](O)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738045553 599101082 /nfs/dbraw/zinc/10/10/82/599101082.db2.gz QSEREEHNNVCOHJ-KOLCDFICSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@H](O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037451 599110212 /nfs/dbraw/zinc/11/02/12/599110212.db2.gz HXWYNBJINFBBRG-CYBMUJFWSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(NC[C@H](O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037451 599110213 /nfs/dbraw/zinc/11/02/13/599110213.db2.gz HXWYNBJINFBBRG-CYBMUJFWSA-N -1 1 324.344 0.595 20 0 DCADMM CCN(CC)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736528720 599135043 /nfs/dbraw/zinc/13/50/43/599135043.db2.gz BXFVJVWGTCVBPG-UHFFFAOYSA-N -1 1 304.310 0.287 20 0 DCADMM CCN(CC)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736528720 599135044 /nfs/dbraw/zinc/13/50/44/599135044.db2.gz BXFVJVWGTCVBPG-UHFFFAOYSA-N -1 1 304.310 0.287 20 0 DCADMM CCN(CC)C(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736521760 599139053 /nfs/dbraw/zinc/13/90/53/599139053.db2.gz GTRMQYTXSTYKKD-VIFPVBQESA-N -1 1 318.337 0.675 20 0 DCADMM CCN(CC)C(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736521760 599139055 /nfs/dbraw/zinc/13/90/55/599139055.db2.gz GTRMQYTXSTYKKD-VIFPVBQESA-N -1 1 318.337 0.675 20 0 DCADMM Cc1nn(Cc2ccn(C(C)C)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737524523 599193328 /nfs/dbraw/zinc/19/33/28/599193328.db2.gz ZSWUOZLQNUHGGX-UHFFFAOYSA-N -1 1 314.353 0.866 20 0 DCADMM COCCOC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737005834 599208604 /nfs/dbraw/zinc/20/86/04/599208604.db2.gz KOAGRXWNVOKCIY-SECBINFHSA-N -1 1 306.326 0.043 20 0 DCADMM COCCOC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737005834 599208606 /nfs/dbraw/zinc/20/86/06/599208606.db2.gz KOAGRXWNVOKCIY-SECBINFHSA-N -1 1 306.326 0.043 20 0 DCADMM Cc1cc(=O)n2nc(CN3CCC(C(=O)[O-])CC3)sc2n1 ZINC000035299709 596921620 /nfs/dbraw/zinc/92/16/20/596921620.db2.gz UXVXIZCJFSOUHA-UHFFFAOYSA-N -1 1 308.363 0.756 20 0 DCADMM Cn1c(=O)c2ccc(C(=O)NCCC(=O)[O-])cc2[nH]c1=S ZINC000740283261 597116063 /nfs/dbraw/zinc/11/60/63/597116063.db2.gz MAVASFGOWQJSPA-UHFFFAOYSA-N -1 1 307.331 0.427 20 0 DCADMM Cc1nnc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000826336446 608321075 /nfs/dbraw/zinc/32/10/75/608321075.db2.gz YXTWWAQPCACFJK-UHFFFAOYSA-N -1 1 303.307 0.779 20 0 DCADMM Cc1nnc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000826336446 608321076 /nfs/dbraw/zinc/32/10/76/608321076.db2.gz YXTWWAQPCACFJK-UHFFFAOYSA-N -1 1 303.307 0.779 20 0 DCADMM CCC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736395725 599249307 /nfs/dbraw/zinc/24/93/07/599249307.db2.gz KVCOBRIAUUUFDJ-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM CCC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736395725 599249308 /nfs/dbraw/zinc/24/93/08/599249308.db2.gz KVCOBRIAUUUFDJ-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM C[C@@H](CC(=O)N[C@@H](c1nn[nH]n1)c1ccccc1)NC(=O)[O-] ZINC000824615784 603507849 /nfs/dbraw/zinc/50/78/49/603507849.db2.gz WKVXFGLEHFPVFF-GZMMTYOYSA-N -1 1 304.310 0.452 20 0 DCADMM O=C([O-])CCNC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000819484760 597215084 /nfs/dbraw/zinc/21/50/84/597215084.db2.gz VMUKLTMRQQFBIE-UHFFFAOYSA-N -1 1 306.366 0.820 20 0 DCADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@@H](C)C(=O)[O-] ZINC000738149529 597328393 /nfs/dbraw/zinc/32/83/93/597328393.db2.gz RNAHMNADAGMKIF-QMMMGPOBSA-N -1 1 317.305 0.079 20 0 DCADMM CC(=O)NCCN(Cc1cccc2c1OCO2)[C@H](C)C(=O)[O-] ZINC000819781270 597705933 /nfs/dbraw/zinc/70/59/33/597705933.db2.gz SOZHVTFAQPUXFW-SNVBAGLBSA-N -1 1 308.334 0.827 20 0 DCADMM COC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000826151997 607780156 /nfs/dbraw/zinc/78/01/56/607780156.db2.gz NWWVMDYSTHGART-QMMMGPOBSA-N -1 1 317.227 0.996 20 0 DCADMM COC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000826151997 607780157 /nfs/dbraw/zinc/78/01/57/607780157.db2.gz NWWVMDYSTHGART-QMMMGPOBSA-N -1 1 317.227 0.996 20 0 DCADMM Cc1nc(S(=O)(=O)NCC(=O)[O-])sc1Br ZINC000263545578 598161603 /nfs/dbraw/zinc/16/16/03/598161603.db2.gz GSDHPPQKOSBGKN-UHFFFAOYSA-N -1 1 315.170 0.577 20 0 DCADMM CCOC(=O)[C@H]1CCCCN1C(=O)CN[C@@H](C(=O)[O-])C(C)C ZINC000820364827 598188704 /nfs/dbraw/zinc/18/87/04/598188704.db2.gz YYLLBGVYWCRCIU-DGCLKSJQSA-N -1 1 314.382 0.629 20 0 DCADMM O=S(=O)(NC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344027 598269363 /nfs/dbraw/zinc/26/93/63/598269363.db2.gz TYPUPGOSJQQZTQ-SECBINFHSA-N -1 1 324.366 0.109 20 0 DCADMM O=S(=O)(NC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344027 598269364 /nfs/dbraw/zinc/26/93/64/598269364.db2.gz TYPUPGOSJQQZTQ-SECBINFHSA-N -1 1 324.366 0.109 20 0 DCADMM c1cnnc(N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000738447480 598333885 /nfs/dbraw/zinc/33/38/85/598333885.db2.gz FWWIVVVKLNUESZ-UHFFFAOYSA-N -1 1 324.352 0.163 20 0 DCADMM c1cnnc(N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000738447480 598333887 /nfs/dbraw/zinc/33/38/87/598333887.db2.gz FWWIVVVKLNUESZ-UHFFFAOYSA-N -1 1 324.352 0.163 20 0 DCADMM OC[C@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccco1 ZINC000738391115 598341022 /nfs/dbraw/zinc/34/10/22/598341022.db2.gz WLZKGCXMLFQZFD-VIFPVBQESA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccco1 ZINC000738391115 598341023 /nfs/dbraw/zinc/34/10/23/598341023.db2.gz WLZKGCXMLFQZFD-VIFPVBQESA-N -1 1 301.310 0.513 20 0 DCADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000738388457 598349124 /nfs/dbraw/zinc/34/91/24/598349124.db2.gz SYYORTOWWWIJSN-JTQLQIEISA-N -1 1 301.285 0.941 20 0 DCADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000738388457 598349126 /nfs/dbraw/zinc/34/91/26/598349126.db2.gz SYYORTOWWWIJSN-JTQLQIEISA-N -1 1 301.285 0.941 20 0 DCADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCN(C)C1=O ZINC000821621808 599685560 /nfs/dbraw/zinc/68/55/60/599685560.db2.gz HBKZEMHJFSNDBT-MRVPVSSYSA-N -1 1 307.745 0.582 20 0 DCADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCN(C)C1=O ZINC000821621808 599685561 /nfs/dbraw/zinc/68/55/61/599685561.db2.gz HBKZEMHJFSNDBT-MRVPVSSYSA-N -1 1 307.745 0.582 20 0 DCADMM C[C@H]1CC[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000737596318 598503758 /nfs/dbraw/zinc/50/37/58/598503758.db2.gz MEUHEFPQXKNUIT-KYZUINATSA-N -1 1 319.369 0.255 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@H]2C)cc1-c1nn[n-]n1 ZINC000737187073 598530046 /nfs/dbraw/zinc/53/00/46/598530046.db2.gz OOYITMTZMARALH-XNCJUZBTSA-N -1 1 306.351 0.827 20 0 DCADMM CC(C)C(C)(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735691395 598553993 /nfs/dbraw/zinc/55/39/93/598553993.db2.gz DCJCORHZSYHMFQ-UHFFFAOYSA-N -1 1 310.383 0.975 20 0 DCADMM CC(C)C(C)(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735691395 598553995 /nfs/dbraw/zinc/55/39/95/598553995.db2.gz 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/nfs/dbraw/zinc/21/77/46/607217746.db2.gz ZJHQJLVPMVWLLN-UHFFFAOYSA-N -1 1 324.348 0.086 20 0 DCADMM CC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nccs1 ZINC000820919723 607218313 /nfs/dbraw/zinc/21/83/13/607218313.db2.gz FYSQVJITNPXHQI-ZETCQYMHSA-N -1 1 319.354 0.182 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000823125986 607219630 /nfs/dbraw/zinc/21/96/30/607219630.db2.gz DOKTWANIWWXPIF-MNOVXSKESA-N -1 1 316.369 0.543 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000823125988 607219743 /nfs/dbraw/zinc/21/97/43/607219743.db2.gz DOKTWANIWWXPIF-WDEREUQCSA-N -1 1 316.369 0.543 20 0 DCADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821034575 607220137 /nfs/dbraw/zinc/22/01/37/607220137.db2.gz PIGWVCXOTSHDJJ-GHMZBOCLSA-N -1 1 318.385 0.885 20 0 DCADMM CCSCC[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821455648 607220387 /nfs/dbraw/zinc/22/03/87/607220387.db2.gz KZPOGLWXJDZZJA-MRVPVSSYSA-N -1 1 310.387 0.106 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000823123082 607221762 /nfs/dbraw/zinc/22/17/62/607221762.db2.gz MYRUSWLOALNTSR-UWVGGRQHSA-N -1 1 302.342 0.107 20 0 DCADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC[C@@H]1CCCO1 ZINC000826418362 607863994 /nfs/dbraw/zinc/86/39/94/607863994.db2.gz CFNAXJPYCCOFNU-VIFPVBQESA-N -1 1 321.312 0.680 20 0 DCADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC[C@@H]1CCCO1 ZINC000826418362 607863995 /nfs/dbraw/zinc/86/39/95/607863995.db2.gz CFNAXJPYCCOFNU-VIFPVBQESA-N -1 1 321.312 0.680 20 0 DCADMM COc1ccc(OC)c([C@@H](O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826211288 607868335 /nfs/dbraw/zinc/86/83/35/607868335.db2.gz WPBFVVLKKRYMPY-NSHDSACASA-N -1 1 316.321 0.814 20 0 DCADMM COc1ccc(OC)c([C@@H](O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826211288 607868336 /nfs/dbraw/zinc/86/83/36/607868336.db2.gz WPBFVVLKKRYMPY-NSHDSACASA-N -1 1 316.321 0.814 20 0 DCADMM Cc1cc(C)cc(OC[C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826265155 607869040 /nfs/dbraw/zinc/86/90/40/607869040.db2.gz NSHXZVNDBDUAAU-NSHDSACASA-N -1 1 315.337 0.515 20 0 DCADMM CC(C)N(CCS(C)(=O)=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824288462 607986339 /nfs/dbraw/zinc/98/63/39/607986339.db2.gz HFNRINAVZVRKMZ-UHFFFAOYSA-N -1 1 324.410 0.517 20 0 DCADMM C=CC(=O)NCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823883551 607996542 /nfs/dbraw/zinc/99/65/42/607996542.db2.gz TWQRAVDWPXUZOS-UHFFFAOYSA-N -1 1 302.294 0.203 20 0 DCADMM CC(=O)c1cccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC000824029424 608013263 /nfs/dbraw/zinc/01/32/63/608013263.db2.gz KMISXKUZWYWVHP-UHFFFAOYSA-N -1 1 311.305 0.905 20 0 DCADMM CC(=O)c1cccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC000824029424 608013264 /nfs/dbraw/zinc/01/32/64/608013264.db2.gz KMISXKUZWYWVHP-UHFFFAOYSA-N -1 1 311.305 0.905 20 0 DCADMM Cc1cc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)c(C)s1 ZINC000826267401 608095895 /nfs/dbraw/zinc/09/58/95/608095895.db2.gz DHZZQGNMBLCPBX-UHFFFAOYSA-N -1 1 318.362 0.454 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc3c(c2)CCC3)c1=O ZINC000826356856 608096519 /nfs/dbraw/zinc/09/65/19/608096519.db2.gz IOCJQGXUQPWCAC-UHFFFAOYSA-N -1 1 324.344 0.264 20 0 DCADMM Cc1cnc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)nc1C ZINC000826319071 608121692 /nfs/dbraw/zinc/12/16/92/608121692.db2.gz NHGXMLJJGQWWCX-UHFFFAOYSA-N -1 1 314.357 0.624 20 0 DCADMM Cc1cnc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nc1C ZINC000826319071 608121693 /nfs/dbraw/zinc/12/16/93/608121693.db2.gz NHGXMLJJGQWWCX-UHFFFAOYSA-N -1 1 314.357 0.624 20 0 DCADMM C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825006693 608186838 /nfs/dbraw/zinc/18/68/38/608186838.db2.gz OCQZWHOFIZKDJO-JGVFFNPUSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825006693 608186839 /nfs/dbraw/zinc/18/68/39/608186839.db2.gz OCQZWHOFIZKDJO-JGVFFNPUSA-N -1 1 309.351 0.150 20 0 DCADMM O=C1N[C@@H](c2ccc(-c3nn[n-]n3)s2)N2CCSC[C@@H]12 ZINC000826482100 608228635 /nfs/dbraw/zinc/22/86/35/608228635.db2.gz RTSLLOVMGVHNMR-QUBYGPBYSA-N -1 1 308.392 0.474 20 0 DCADMM O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426243 608382870 /nfs/dbraw/zinc/38/28/70/608382870.db2.gz IPTNGBSEXOHHEM-CYBMUJFWSA-N -1 1 324.344 0.595 20 0 DCADMM O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426243 608382871 /nfs/dbraw/zinc/38/28/71/608382871.db2.gz IPTNGBSEXOHHEM-CYBMUJFWSA-N -1 1 324.344 0.595 20 0 DCADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)COc1ccccc1 ZINC000826503486 608399374 /nfs/dbraw/zinc/39/93/74/608399374.db2.gz YUSKSSXFRIESGX-JTQLQIEISA-N -1 1 313.321 0.509 20 0 DCADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)COc1ccccc1 ZINC000826503486 608399375 /nfs/dbraw/zinc/39/93/75/608399375.db2.gz YUSKSSXFRIESGX-JTQLQIEISA-N -1 1 313.321 0.509 20 0 DCADMM CCC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825034187 608401478 /nfs/dbraw/zinc/40/14/78/608401478.db2.gz GCRNCJKUSKRIAW-UHFFFAOYSA-N -1 1 302.342 0.105 20 0 DCADMM CCC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825034187 608401480 /nfs/dbraw/zinc/40/14/80/608401480.db2.gz GCRNCJKUSKRIAW-UHFFFAOYSA-N -1 1 302.342 0.105 20 0 DCADMM O=C(CNc1ccc(-c2nnn[n-]2)nn1)NC1CCCCC1 ZINC000826414131 608407098 /nfs/dbraw/zinc/40/70/98/608407098.db2.gz HDSLEXJVCILGCM-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM O=C(CNc1ccc(-c2nn[n-]n2)nn1)NC1CCCCC1 ZINC000826414131 608407099 /nfs/dbraw/zinc/40/70/99/608407099.db2.gz HDSLEXJVCILGCM-UHFFFAOYSA-N -1 1 302.342 0.518 20 0 DCADMM FC(F)(F)CN1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826367479 608408603 /nfs/dbraw/zinc/40/86/03/608408603.db2.gz AOULGQMSBHACIE-SSDOTTSWSA-N -1 1 314.275 0.705 20 0 DCADMM FC(F)(F)CN1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826367479 608408604 /nfs/dbraw/zinc/40/86/04/608408604.db2.gz AOULGQMSBHACIE-SSDOTTSWSA-N -1 1 314.275 0.705 20 0 DCADMM O=C1CCCCN1CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826479714 608416379 /nfs/dbraw/zinc/41/63/79/608416379.db2.gz GMAIVXWXZSUVKZ-UHFFFAOYSA-N -1 1 302.342 0.471 20 0 DCADMM O=C1CCCCN1CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826479714 608416380 /nfs/dbraw/zinc/41/63/80/608416380.db2.gz GMAIVXWXZSUVKZ-UHFFFAOYSA-N -1 1 302.342 0.471 20 0 DCADMM c1ncn(-c2cccc(CNc3ccc(-c4nnn[n-]4)nn3)c2)n1 ZINC000826516602 608422050 /nfs/dbraw/zinc/42/20/50/608422050.db2.gz RYMRPILBXGGGDA-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1ncn(-c2cccc(CNc3ccc(-c4nn[n-]n4)nn3)c2)n1 ZINC000826516602 608422052 /nfs/dbraw/zinc/42/20/52/608422052.db2.gz RYMRPILBXGGGDA-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM CN(CCC(=O)OC(C)(C)C)c1ccc(-c2nnn[n-]2)nn1 ZINC000825915218 608431515 /nfs/dbraw/zinc/43/15/15/608431515.db2.gz VFVPYBZKNXXJPN-UHFFFAOYSA-N -1 1 305.342 0.825 20 0 DCADMM CN(CCC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)nn1 ZINC000825915218 608431517 /nfs/dbraw/zinc/43/15/17/608431517.db2.gz VFVPYBZKNXXJPN-UHFFFAOYSA-N -1 1 305.342 0.825 20 0 DCADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H](O)C(F)(F)F ZINC000825148298 608440062 /nfs/dbraw/zinc/44/00/62/608440062.db2.gz PFRCMIITQVPZCP-YLWLKBPMSA-N -1 1 303.248 0.770 20 0 DCADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H](O)C(F)(F)F ZINC000825148298 608440064 /nfs/dbraw/zinc/44/00/64/608440064.db2.gz PFRCMIITQVPZCP-YLWLKBPMSA-N -1 1 303.248 0.770 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(CC(F)F)CC1 ZINC000826280616 608544940 /nfs/dbraw/zinc/54/49/40/608544940.db2.gz JDWKTMOBVSYCHR-UHFFFAOYSA-N -1 1 309.324 0.957 20 0 DCADMM CCCCN(CCCO)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825281339 608564166 /nfs/dbraw/zinc/56/41/66/608564166.db2.gz ABTMOTRLLMHVRW-UHFFFAOYSA-N -1 1 304.354 0.886 20 0 DCADMM CCCCN(CCCO)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825281339 608564168 /nfs/dbraw/zinc/56/41/68/608564168.db2.gz ABTMOTRLLMHVRW-UHFFFAOYSA-N -1 1 304.354 0.886 20 0 DCADMM Cc1ccsc1CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826316816 608592868 /nfs/dbraw/zinc/59/28/68/608592868.db2.gz ZNXDSPAEJDBABQ-UHFFFAOYSA-N -1 1 318.366 0.187 20 0 DCADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCS1(=O)=O ZINC000824985169 608711895 /nfs/dbraw/zinc/71/18/95/608711895.db2.gz SLEINRXZWQZAAE-QMMMGPOBSA-N -1 1 313.408 0.547 20 0 DCADMM COC(=O)CN(Cc1ccc(-c2nnn[n-]2)o1)C1CCOCC1 ZINC000826138497 608736413 /nfs/dbraw/zinc/73/64/13/608736413.db2.gz WZTAXGUSAYTLEL-UHFFFAOYSA-N -1 1 321.337 0.614 20 0 DCADMM COC(=O)CN(Cc1ccc(-c2nn[n-]n2)o1)C1CCOCC1 ZINC000826138497 608736415 /nfs/dbraw/zinc/73/64/15/608736415.db2.gz WZTAXGUSAYTLEL-UHFFFAOYSA-N -1 1 321.337 0.614 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cc(F)cc(F)c1 ZINC000826424755 608890529 /nfs/dbraw/zinc/89/05/29/608890529.db2.gz BDGYUWRBWRZZPU-UHFFFAOYSA-N -1 1 305.248 0.980 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cc(F)cc(F)c1 ZINC000826424755 608890533 /nfs/dbraw/zinc/89/05/33/608890533.db2.gz BDGYUWRBWRZZPU-UHFFFAOYSA-N -1 1 305.248 0.980 20 0 DCADMM FC(F)(F)Cc1noc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC000826367538 608894371 /nfs/dbraw/zinc/89/43/71/608894371.db2.gz CJOVNSGVCKTXNQ-UHFFFAOYSA-N -1 1 300.204 0.599 20 0 DCADMM FC(F)(F)Cc1noc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC000826367538 608894373 /nfs/dbraw/zinc/89/43/73/608894373.db2.gz CJOVNSGVCKTXNQ-UHFFFAOYSA-N -1 1 300.204 0.599 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccc3nccn32)n1 ZINC000826357368 609234625 /nfs/dbraw/zinc/23/46/25/609234625.db2.gz CBXVTMNMCNTLDD-UHFFFAOYSA-N -1 1 309.293 0.500 20 0 DCADMM CCOCCOC1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000825599714 609265779 /nfs/dbraw/zinc/26/57/79/609265779.db2.gz QKYFPNJOWHKRNZ-UHFFFAOYSA-N -1 1 323.378 0.806 20 0 DCADMM CCOCCOC1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000825599714 609265780 /nfs/dbraw/zinc/26/57/80/609265780.db2.gz QKYFPNJOWHKRNZ-UHFFFAOYSA-N -1 1 323.378 0.806 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H](F)Cc1ccccc1 ZINC000826395048 609404628 /nfs/dbraw/zinc/40/46/28/609404628.db2.gz KVMLKQJOXHCMTR-SNVBAGLBSA-N -1 1 301.285 0.866 20 0 DCADMM c1cc(-c2nn[n-]n2)sc1CN1CCOC[C@H]1c1ncon1 ZINC000826526618 609498022 /nfs/dbraw/zinc/49/80/22/609498022.db2.gz FONWJPJBDBAKIE-VIFPVBQESA-N -1 1 319.350 0.885 20 0 DCADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCN1CCC(C)CC1 ZINC000866498093 667378232 /nfs/dbraw/zinc/37/82/32/667378232.db2.gz QWULJCSVFPLTSI-SFHVURJKSA-N -1 1 311.473 0.670 20 0 DCADMM C[C@@H](O)CC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000866832227 667404027 /nfs/dbraw/zinc/40/40/27/667404027.db2.gz CEFIDFWGJDFWJA-HOGDKLEQSA-N -1 1 324.399 0.888 20 0 DCADMM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2CCOC2)C1)c1ncccc1[O-] ZINC000978627891 660572048 /nfs/dbraw/zinc/57/20/48/660572048.db2.gz BQIFMLORNZLANC-SDDRHHMPSA-N -1 1 319.361 0.448 20 0 DCADMM O=C(N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1)c1cnon1 ZINC000979667608 660798019 /nfs/dbraw/zinc/79/80/19/660798019.db2.gz KDMOLVNMNWHZPQ-KYZUINATSA-N -1 1 317.305 0.109 20 0 DCADMM Cc1nnc(CN2CCC[C@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001027843759 660827117 /nfs/dbraw/zinc/82/71/17/660827117.db2.gz GXLMXOMDJGMOMT-NSHDSACASA-N -1 1 317.349 0.873 20 0 DCADMM Cc1nnc(CN2CCC[C@@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001027843758 660827153 /nfs/dbraw/zinc/82/71/53/660827153.db2.gz GXLMXOMDJGMOMT-LLVKDONJSA-N -1 1 317.349 0.873 20 0 DCADMM COC(=O)[C@](C)(Cn1cccn1)[N-]S(=O)(=O)CC1CC1 ZINC000908397045 663753485 /nfs/dbraw/zinc/75/34/85/663753485.db2.gz PRBVUWLLIGKYLI-LBPRGKRZSA-N -1 1 301.368 0.144 20 0 DCADMM Cn1[n-]c(CN2CCCN(C(=O)C3CCCC3)CC2)nc1=O ZINC000980605077 660968150 /nfs/dbraw/zinc/96/81/50/660968150.db2.gz MRXDOWKPXVOGPT-UHFFFAOYSA-N -1 1 307.398 0.333 20 0 DCADMM C[C@@H](C(=O)N(C)C)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000981027190 661067247 /nfs/dbraw/zinc/06/72/47/661067247.db2.gz ULBCNDOLNZYRRJ-LBPRGKRZSA-N -1 1 320.393 0.412 20 0 DCADMM CC(C)[C@@H](F)C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000981781854 661217275 /nfs/dbraw/zinc/21/72/75/661217275.db2.gz IMEUSGSXUNJTCZ-GFCCVEGCSA-N -1 1 313.377 0.137 20 0 DCADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000936735050 661233199 /nfs/dbraw/zinc/23/31/99/661233199.db2.gz DBXDSWIUKYUFFN-NSHDSACASA-N -1 1 315.333 0.497 20 0 DCADMM O=C1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)nc2F)CN1 ZINC000921651975 665445587 /nfs/dbraw/zinc/44/55/87/665445587.db2.gz VLJDUXBVNYTJKE-SSDOTTSWSA-N -1 1 321.761 0.679 20 0 DCADMM O=C([C@H]1CC=CCC1)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998517637 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CC(C)n1c(CNC(=O)CN2CCCNC2=O)n[n-]c1=S ZINC000066640016 657841968 /nfs/dbraw/zinc/84/19/68/657841968.db2.gz VKFVOQATFZZCEF-UHFFFAOYSA-N -1 1 312.399 0.553 20 0 DCADMM O=C(CC1CCOCC1)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998773047 665525025 /nfs/dbraw/zinc/52/50/25/665525025.db2.gz XJNOPUIGLMONLE-GFCCVEGCSA-N -1 1 323.397 0.408 20 0 DCADMM O=C(c1ccc(F)s1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970849042 657977738 /nfs/dbraw/zinc/97/77/38/657977738.db2.gz KERJANYTRBQKGO-SSDOTTSWSA-N -1 1 311.342 0.715 20 0 DCADMM Cc1cccc(F)c1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970869413 658003275 /nfs/dbraw/zinc/00/32/75/658003275.db2.gz FAKHWUARECHFLW-SNVBAGLBSA-N -1 1 319.340 0.962 20 0 DCADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998840486 665539158 /nfs/dbraw/zinc/53/91/58/665539158.db2.gz IADCBBVRORRKOX-DCQANWLSSA-N -1 1 305.382 0.637 20 0 DCADMM CC[C@@H](CCO)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866857527 658109452 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ZSTGOGOFJAKIKK-UHFFFAOYSA-N -1 1 322.369 0.717 20 0 DCADMM CCN(C[C@@H]1CCOC1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825415892 671460704 /nfs/dbraw/zinc/46/07/04/671460704.db2.gz FLGOKERNIFRCBC-JTQLQIEISA-N -1 1 320.353 0.591 20 0 DCADMM CCN(C[C@@H]1CCOC1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825415892 671460705 /nfs/dbraw/zinc/46/07/05/671460705.db2.gz FLGOKERNIFRCBC-JTQLQIEISA-N -1 1 320.353 0.591 20 0 DCADMM Cc1onc(CC(=O)N(C)CC2(O)CCCC2)c1-c1nnn[n-]1 ZINC000826342876 671484790 /nfs/dbraw/zinc/48/47/90/671484790.db2.gz CYJHLTLPMPAWGG-UHFFFAOYSA-N -1 1 320.353 0.469 20 0 DCADMM Cc1onc(CC(=O)N(C)CC2(O)CCCC2)c1-c1nn[n-]n1 ZINC000826342876 671484792 /nfs/dbraw/zinc/48/47/92/671484792.db2.gz CYJHLTLPMPAWGG-UHFFFAOYSA-N -1 1 320.353 0.469 20 0 DCADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CCO)c1-c1nnn[n-]1 ZINC000826344587 671485095 /nfs/dbraw/zinc/48/50/95/671485095.db2.gz LWHVUQWRUWYHRJ-SNVBAGLBSA-N -1 1 320.353 0.469 20 0 DCADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CCO)c1-c1nn[n-]n1 ZINC000826344587 671485097 /nfs/dbraw/zinc/48/50/97/671485097.db2.gz LWHVUQWRUWYHRJ-SNVBAGLBSA-N -1 1 320.353 0.469 20 0 DCADMM Cc1onc(CC(=O)NCCc2nccs2)c1-c1nnn[n-]1 ZINC000826348105 671486614 /nfs/dbraw/zinc/48/66/14/671486614.db2.gz UVVAVJHAFUHBOZ-UHFFFAOYSA-N -1 1 319.350 0.521 20 0 DCADMM Cc1onc(CC(=O)NCCc2nccs2)c1-c1nn[n-]n1 ZINC000826348105 671486615 /nfs/dbraw/zinc/48/66/15/671486615.db2.gz UVVAVJHAFUHBOZ-UHFFFAOYSA-N -1 1 319.350 0.521 20 0 DCADMM Cn1cc(CNc2c3ccccc3nnc2-c2nnn[n-]2)nn1 ZINC000826361902 671486637 /nfs/dbraw/zinc/48/66/37/671486637.db2.gz VDZDJLHJSHBSBZ-UHFFFAOYSA-N -1 1 308.309 0.551 20 0 DCADMM Cn1cc(CNc2c3ccccc3nnc2-c2nn[n-]n2)nn1 ZINC000826361902 671486640 /nfs/dbraw/zinc/48/66/40/671486640.db2.gz VDZDJLHJSHBSBZ-UHFFFAOYSA-N -1 1 308.309 0.551 20 0 DCADMM O[C@H](COCc1cccs1)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826504149 671490093 /nfs/dbraw/zinc/49/00/93/671490093.db2.gz OOVFZPUZLNHTRY-QMMMGPOBSA-N -1 1 307.339 0.097 20 0 DCADMM O=C(c1cc2nc[nH]c2cc1F)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826833857 671502247 /nfs/dbraw/zinc/50/22/47/671502247.db2.gz JQNGRLLARAUEHH-NSHDSACASA-N -1 1 317.284 0.429 20 0 DCADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)COC[C@@H]2CCCO2)CC1 ZINC000827362277 671524927 /nfs/dbraw/zinc/52/49/27/671524927.db2.gz MAXSEOMZSFVBNH-STQMWFEESA-N -1 1 314.382 0.189 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cnn3cccnc23)CC1 ZINC000827379294 671525444 /nfs/dbraw/zinc/52/54/44/671525444.db2.gz FOOGUJXKOIVVBO-LLVKDONJSA-N -1 1 317.349 0.350 20 0 DCADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CSCC(=O)N1 ZINC000828850037 671562606 /nfs/dbraw/zinc/56/26/06/671562606.db2.gz GRBRELOOAASTNP-VIFPVBQESA-N -1 1 300.767 0.893 20 0 DCADMM CCc1cc(CNS(=O)(=O)c2cccnc2C(=O)[O-])n[nH]1 ZINC000829317914 671573358 /nfs/dbraw/zinc/57/33/58/671573358.db2.gz AWJYIOPPJVOGDV-UHFFFAOYSA-N -1 1 310.335 0.544 20 0 DCADMM Cc1cnc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)c([O-])c1 ZINC000830020248 671605117 /nfs/dbraw/zinc/60/51/17/671605117.db2.gz IRQKEDUQGYJLQG-DGCLKSJQSA-N -1 1 305.334 0.215 20 0 DCADMM O=S(=O)([N-][C@@H](CO)Cc1ccccc1)c1c[nH]nc1Cl ZINC000830599301 671633304 /nfs/dbraw/zinc/63/33/04/671633304.db2.gz KULBNTANGRWTKZ-SNVBAGLBSA-N -1 1 315.782 0.945 20 0 DCADMM CC[C@@H](NC(C)=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830790348 671640811 /nfs/dbraw/zinc/64/08/11/671640811.db2.gz SKOUFRDFZDTLHE-SKDRFNHKSA-N -1 1 323.315 0.571 20 0 DCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CCC(=O)C2)cc1 ZINC000830928378 671647224 /nfs/dbraw/zinc/64/72/24/671647224.db2.gz XADJRURCHVVMEZ-NSHDSACASA-N -1 1 319.313 0.864 20 0 DCADMM CC[C@@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)C(=O)OC ZINC000831749019 671683667 /nfs/dbraw/zinc/68/36/67/671683667.db2.gz VTPWIAGAMVTIJF-VIFPVBQESA-N -1 1 305.338 0.663 20 0 DCADMM C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829336 671783034 /nfs/dbraw/zinc/78/30/34/671783034.db2.gz TWEHZYYQSDPCJX-ZETCQYMHSA-N -1 1 306.771 0.600 20 0 DCADMM CCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821758 671783293 /nfs/dbraw/zinc/78/32/93/671783293.db2.gz FXRAHXZGXJISSA-QMMMGPOBSA-N -1 1 320.798 0.990 20 0 DCADMM C[Si](C)(C[N-]S(=O)(=O)N=S(C)(C)=O)c1ccccc1 ZINC000867122082 671796041 /nfs/dbraw/zinc/79/60/41/671796041.db2.gz IDVCFNIEFHOQEQ-UHFFFAOYSA-N -1 1 320.512 0.703 20 0 DCADMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCn2ccnc2C1 ZINC000867129940 671799807 /nfs/dbraw/zinc/79/98/07/671799807.db2.gz WDXPXRGTTMDLND-YYSFKGJASA-N -1 1 306.413 0.150 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)N2CC(=O)N(C)C[C@@H]2C)c1 ZINC000867153558 671811252 /nfs/dbraw/zinc/81/12/52/671811252.db2.gz HAGSUHCUWMLBED-VIFPVBQESA-N -1 1 314.363 0.252 20 0 DCADMM CCC[C@@H](O)[C@@H](CO)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000840551326 671894363 /nfs/dbraw/zinc/89/43/63/671894363.db2.gz NFMHCPXYPIDXEJ-GHMZBOCLSA-N -1 1 311.382 0.866 20 0 DCADMM Cc1nc2ccnn2c([O-])c1CC(=O)Nn1cnc2ccccc21 ZINC000104026851 671903548 /nfs/dbraw/zinc/90/35/48/671903548.db2.gz JOTCSTHOQTWCFX-UHFFFAOYSA-N -1 1 322.328 0.994 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-][C@H]2C(=O)OCC2(C)C)c1Cl ZINC000841533111 671939944 /nfs/dbraw/zinc/93/99/44/671939944.db2.gz BTKCAHKZEDXIKY-LURJTMIESA-N -1 1 307.759 0.303 20 0 DCADMM COC(=O)[C@@H](F)C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000841547455 671942664 /nfs/dbraw/zinc/94/26/64/671942664.db2.gz DLPLXCHYFVZQFH-LURJTMIESA-N -1 1 313.738 0.171 20 0 DCADMM Cn1ncc(S(=O)(=O)[N-][C@@H]2COC(=O)C2)c1C(F)(F)F ZINC000867287545 671992457 /nfs/dbraw/zinc/99/24/57/671992457.db2.gz VWWGVJKQUBYJFT-YFKPBYRVSA-N -1 1 313.257 0.033 20 0 DCADMM CO[C@H](C)CCC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1 ZINC000843014939 672053804 /nfs/dbraw/zinc/05/38/04/672053804.db2.gz ISOIVXLNSNZFHT-LLVKDONJSA-N -1 1 306.428 0.732 20 0 DCADMM CO[C@H](C(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)C1CC1 ZINC000843015416 672054106 /nfs/dbraw/zinc/05/41/06/672054106.db2.gz VEPTXLDNDWPTBH-NSHDSACASA-N -1 1 304.412 0.342 20 0 DCADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCCCO2)CCC1 ZINC000843017006 672054383 /nfs/dbraw/zinc/05/43/83/672054383.db2.gz XXSUEDPJFJXQEW-LBPRGKRZSA-N -1 1 318.439 0.876 20 0 DCADMM C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)CCO1 ZINC000843016916 672054808 /nfs/dbraw/zinc/05/48/08/672054808.db2.gz YBCLCRGUYARQFA-NWDGAFQWSA-N -1 1 318.439 0.732 20 0 DCADMM O=S(=O)([N-][C@@H]1CCn2ccnc21)c1ccc(F)nc1F ZINC000867316939 672055395 /nfs/dbraw/zinc/05/53/95/672055395.db2.gz ARFPZHIQLPZQKS-SSDOTTSWSA-N -1 1 300.290 0.980 20 0 DCADMM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCc1ccc(C)cn1 ZINC000867377681 672214970 /nfs/dbraw/zinc/21/49/70/672214970.db2.gz KOKLJCVHEGLBLI-SFHVURJKSA-N -1 1 305.425 0.885 20 0 DCADMM C[C@@H](CN(C)C(=O)/C=C/COC1CCOCC1)c1nn[n-]n1 ZINC000867382683 672239363 /nfs/dbraw/zinc/23/93/63/672239363.db2.gz XOEDDZHFLBIOHH-UFFNRZRYSA-N -1 1 309.370 0.513 20 0 DCADMM COC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)nc2F)C1 ZINC000867406613 672300462 /nfs/dbraw/zinc/30/04/62/672300462.db2.gz XDVGBNRXBFPSCG-KNVOCYPGSA-N -1 1 306.290 0.590 20 0 DCADMM COc1cc(CN(CC[S@](C)=O)CC(=O)[O-])cc(OC)c1 ZINC000846266108 672304373 /nfs/dbraw/zinc/30/43/73/672304373.db2.gz DCMVBBWNIDLJLV-NRFANRHFSA-N -1 1 315.391 0.969 20 0 DCADMM COc1ccc(N(C)C(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000846294169 672305626 /nfs/dbraw/zinc/30/56/26/672305626.db2.gz POSXFAHYXWTCRN-UHFFFAOYSA-N -1 1 303.318 0.598 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000846421911 672312205 /nfs/dbraw/zinc/31/22/05/672312205.db2.gz USNNOMLDMOYBBB-AWEZNQCLSA-N -1 1 321.377 0.248 20 0 DCADMM CCON(C)C(=O)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000846504242 672321030 /nfs/dbraw/zinc/32/10/30/672321030.db2.gz YZOZWRJLFXKGFZ-UHFFFAOYSA-N -1 1 310.354 0.754 20 0 DCADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000846562745 672327587 /nfs/dbraw/zinc/32/75/87/672327587.db2.gz WCDZRVSPPANOHA-FRUKKLPWSA-N -1 1 308.388 0.363 20 0 DCADMM CCOC(=O)c1cnc(NC(=O)CCn2cnccc2=O)[n-]1 ZINC000846651604 672333288 /nfs/dbraw/zinc/33/32/88/672333288.db2.gz WNIOOTXMDLQYES-UHFFFAOYSA-N -1 1 305.294 0.172 20 0 DCADMM CCOC(=O)c1c[n-]c(NC(=O)CCn2cnccc2=O)n1 ZINC000846651604 672333289 /nfs/dbraw/zinc/33/32/89/672333289.db2.gz WNIOOTXMDLQYES-UHFFFAOYSA-N -1 1 305.294 0.172 20 0 DCADMM C[C@H]1C[C@H](C)CN(S(=O)(=O)NCC(F)(F)C(=O)[O-])C1 ZINC000388779722 685255581 /nfs/dbraw/zinc/25/55/81/685255581.db2.gz QGYZPGFKBUBOMU-YUMQZZPRSA-N -1 1 300.327 0.519 20 0 DCADMM CN1CCN(C)[C@H](CNc2c3ccccc3nnc2C(=O)[O-])C1 ZINC000391259231 685261735 /nfs/dbraw/zinc/26/17/35/685261735.db2.gz GEJVQCXIQFCMTE-LLVKDONJSA-N -1 1 315.377 0.986 20 0 DCADMM CS(=O)(=O)C1(CN=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000393695735 685264689 /nfs/dbraw/zinc/26/46/89/685264689.db2.gz FFNWPHYTZVDMFK-UHFFFAOYSA-N -1 1 301.315 0.968 20 0 DCADMM COc1ncc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)s1 ZINC000394065685 685266383 /nfs/dbraw/zinc/26/63/83/685266383.db2.gz AGDRFPLODKGAGW-SCSAIBSYSA-N -1 1 306.287 0.353 20 0 DCADMM CO[C@H](CS(=O)(=O)[N-][C@@H]1COC[C@H]1OC)c1ccccc1 ZINC000516178753 685296822 /nfs/dbraw/zinc/29/68/22/685296822.db2.gz FSXKNPORADMCHI-MGPQQGTHSA-N -1 1 315.391 0.707 20 0 DCADMM CCOc1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1 ZINC000736636040 685323251 /nfs/dbraw/zinc/32/32/51/685323251.db2.gz GTKSKFMAHVSUBW-GFCCVEGCSA-N -1 1 303.322 0.812 20 0 DCADMM O=C(CSCc1ccccn1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000737936367 685323696 /nfs/dbraw/zinc/32/36/96/685323696.db2.gz NKDHULBXKDGHQB-NSHDSACASA-N -1 1 320.378 0.428 20 0 DCADMM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N(C)C)nc1C ZINC000798848115 685347615 /nfs/dbraw/zinc/34/76/15/685347615.db2.gz NHOBYXZQZFDCTR-LBPRGKRZSA-N -1 1 316.427 0.603 20 0 DCADMM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCC[N-]C(=O)C(F)(F)F ZINC000091579523 685105531 /nfs/dbraw/zinc/10/55/31/685105531.db2.gz PLPKJIZRHZGKQD-BDAKNGLRSA-N -1 1 316.345 0.562 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H](O)c2ccco2)c1Cl ZINC000305202865 685214594 /nfs/dbraw/zinc/21/45/94/685214594.db2.gz LUGRHINCQQADJT-SSDOTTSWSA-N -1 1 305.743 0.678 20 0 DCADMM C[C@H](NC(=O)c1cnn[nH]1)[C@@H]1CCCCN1C(=O)c1cnco1 ZINC000953634291 685756750 /nfs/dbraw/zinc/75/67/50/685756750.db2.gz PLQABGHSTZJPLW-ONGXEEELSA-N -1 1 318.337 0.606 20 0 DCADMM CN(C(=O)c1ncccc1[O-])C1CN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000954124137 685948988 /nfs/dbraw/zinc/94/89/88/685948988.db2.gz MPHJVGTZOWPAJO-VIFPVBQESA-N -1 1 311.288 0.725 20 0 DCADMM C[C@H](C(=O)N(C)C)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001038183641 694006145 /nfs/dbraw/zinc/00/61/45/694006145.db2.gz LGEHIBRHPBBZKM-MNOVXSKESA-N -1 1 306.366 0.068 20 0 DCADMM Cc1noc(CN2CC[C@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001038193089 694009656 /nfs/dbraw/zinc/00/96/56/694009656.db2.gz HKZKBQLBTJYCIH-JTQLQIEISA-N -1 1 303.322 0.483 20 0 DCADMM CO[C@@H](C)C(=O)N1CCC(C)(NC(=O)c2ncccc2[O-])CC1 ZINC000956343866 686683244 /nfs/dbraw/zinc/68/32/44/686683244.db2.gz PYRLOPATZAMXHB-NSHDSACASA-N -1 1 321.377 0.933 20 0 DCADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(C(=O)c2cc[nH]n2)C1 ZINC000956848697 686881144 /nfs/dbraw/zinc/88/11/44/686881144.db2.gz DTIGIUSVMOPEBZ-HNNXBMFYSA-N -1 1 315.333 0.545 20 0 DCADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(C(=O)c2ccn[nH]2)C1 ZINC000956848697 686881160 /nfs/dbraw/zinc/88/11/60/686881160.db2.gz DTIGIUSVMOPEBZ-HNNXBMFYSA-N -1 1 315.333 0.545 20 0 DCADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(C(=O)c2ccon2)C1 ZINC000956848991 686881920 /nfs/dbraw/zinc/88/19/20/686881920.db2.gz INIBOCXGZMLBJF-OAHLLOKOSA-N -1 1 316.317 0.810 20 0 DCADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(C(=O)[C@H]2CCOC2)C1 ZINC000956849662 686882299 /nfs/dbraw/zinc/88/22/99/686882299.db2.gz WLNQGXXZKAALFW-MEDUHNTESA-N -1 1 319.361 0.545 20 0 DCADMM C[C@H]1CC[C@H](C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)CC1 ZINC000957384388 687047074 /nfs/dbraw/zinc/04/70/74/687047074.db2.gz OCWGVTHMUJOJJL-JOCQHMNTSA-N -1 1 321.425 0.579 20 0 DCADMM CCN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)COC)CC1 ZINC000957654496 687092935 /nfs/dbraw/zinc/09/29/35/687092935.db2.gz XKIFQZFVCZEXNI-UHFFFAOYSA-N -1 1 311.386 0.217 20 0 DCADMM O=C([C@H]1CCCCO1)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000959961636 688269366 /nfs/dbraw/zinc/26/93/66/688269366.db2.gz NXMNBSFZHVMLNE-NWDGAFQWSA-N -1 1 323.397 0.550 20 0 DCADMM 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CC(C)C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573950488 1163597879 /nfs/dbraw/zinc/59/78/79/1163597879.db2.gz QWYLVQPQMBTBAF-ONGXEEELSA-N -1 1 316.369 0.572 20 0 DCADMM Cc1nc(CNc2nc(C(=O)[O-])ncc2Br)n[nH]1 ZINC001574179826 1163652986 /nfs/dbraw/zinc/65/29/86/1163652986.db2.gz XCEQCGNEDHMADP-UHFFFAOYSA-N -1 1 313.115 0.398 20 0 DCADMM Cc1nnc(SCC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])[nH]1 ZINC001574183147 1163655230 /nfs/dbraw/zinc/65/52/30/1163655230.db2.gz YBMRLXYGWBULEK-IUCAKERBSA-N -1 1 314.367 0.344 20 0 DCADMM Cc1n[nH]c(SCC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])n1 ZINC001574183147 1163655231 /nfs/dbraw/zinc/65/52/31/1163655231.db2.gz YBMRLXYGWBULEK-IUCAKERBSA-N -1 1 314.367 0.344 20 0 DCADMM NS(=O)(=O)c1cccc2c1CCN(C[C@@H]1C[C@H]1C(=O)[O-])C2 ZINC001574281167 1163682456 /nfs/dbraw/zinc/68/24/56/1163682456.db2.gz XSRDFFISDBHUJI-CMPLNLGQSA-N -1 1 310.375 0.413 20 0 DCADMM O=C([O-])[C@@H](NC(=O)CCc1cnc[nH]1)[C@@H](O)c1cccnc1 ZINC001574299300 1163689692 /nfs/dbraw/zinc/68/96/92/1163689692.db2.gz CRVALJNKUHNKDG-STQMWFEESA-N -1 1 304.306 0.040 20 0 DCADMM O=C([O-])CC1(NC(=O)c2cccc3nc(CO)[nH]c32)COC1 ZINC001574365528 1163706508 /nfs/dbraw/zinc/70/65/08/1163706508.db2.gz YSXBBYIEQRGMLJ-UHFFFAOYSA-N -1 1 305.290 0.029 20 0 DCADMM O=C([O-])CC1(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)CC1 ZINC001574364287 1163706901 /nfs/dbraw/zinc/70/69/01/1163706901.db2.gz BHUKAFCHACPINK-UHFFFAOYSA-N -1 1 314.367 0.321 20 0 DCADMM C[C@@H](CCNC(=O)C1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574595752 1163735009 /nfs/dbraw/zinc/73/50/09/1163735009.db2.gz GJAJDDVLGZYQQO-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNC(=O)C1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574595752 1163735012 /nfs/dbraw/zinc/73/50/12/1163735012.db2.gz GJAJDDVLGZYQQO-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CCNC(=O)CCCF)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574605623 1163735821 /nfs/dbraw/zinc/73/58/21/1163735821.db2.gz NFWFHVQVICWHGZ-VIFPVBQESA-N -1 1 322.348 0.713 20 0 DCADMM C[C@@H](CCNC(=O)CCCF)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574605623 1163735826 /nfs/dbraw/zinc/73/58/26/1163735826.db2.gz NFWFHVQVICWHGZ-VIFPVBQESA-N -1 1 322.348 0.713 20 0 DCADMM C[C@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1C[C@@H]1C ZINC001574823288 1163761122 /nfs/dbraw/zinc/76/11/22/1163761122.db2.gz CNSUVPCMUHJZCA-AEJSXWLSSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1C[C@@H]1C ZINC001574823288 1163761126 /nfs/dbraw/zinc/76/11/26/1163761126.db2.gz CNSUVPCMUHJZCA-AEJSXWLSSA-N -1 1 316.369 0.254 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574832612 1163763358 /nfs/dbraw/zinc/76/33/58/1163763358.db2.gz VKLXOQNCBBAYKV-SECBINFHSA-N -1 1 318.385 0.867 20 0 DCADMM C[C@@H](CNC(=O)C(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574832612 1163763367 /nfs/dbraw/zinc/76/33/67/1163763367.db2.gz VKLXOQNCBBAYKV-SECBINFHSA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)[C@H](C)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574837706 1163766262 /nfs/dbraw/zinc/76/62/62/1163766262.db2.gz UALLEPJOVXNKJV-ZJUUUORDSA-N -1 1 318.385 0.865 20 0 DCADMM CC(C)[C@H](C)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574837706 1163766273 /nfs/dbraw/zinc/76/62/73/1163766273.db2.gz UALLEPJOVXNKJV-ZJUUUORDSA-N -1 1 318.385 0.865 20 0 DCADMM C[C@@H](C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574836664 1163767289 /nfs/dbraw/zinc/76/72/89/1163767289.db2.gz KGRLQGDQBDXXCO-DTWKUNHWSA-N -1 1 316.369 0.041 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574846070 1163769022 /nfs/dbraw/zinc/76/90/22/1163769022.db2.gz HKOGPKTVAQZQKM-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)C1(C)CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574846070 1163769027 /nfs/dbraw/zinc/76/90/27/1163769027.db2.gz HKOGPKTVAQZQKM-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)C1(C)CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574846741 1163769590 /nfs/dbraw/zinc/76/95/90/1163769590.db2.gz WPCIWLKLXHKUOR-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)C1(C)CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574846741 1163769597 /nfs/dbraw/zinc/76/95/97/1163769597.db2.gz WPCIWLKLXHKUOR-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)CC1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574898334 1163789170 /nfs/dbraw/zinc/78/91/70/1163789170.db2.gz VIEXIQBSMQCTMH-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNC(=O)CC1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574898334 1163789178 /nfs/dbraw/zinc/78/91/78/1163789178.db2.gz VIEXIQBSMQCTMH-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)CC1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574898335 1163790243 /nfs/dbraw/zinc/79/02/43/1163790243.db2.gz VIEXIQBSMQCTMH-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)CC1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574898335 1163790249 /nfs/dbraw/zinc/79/02/49/1163790249.db2.gz VIEXIQBSMQCTMH-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNC(=O)CCCF)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574904834 1163792883 /nfs/dbraw/zinc/79/28/83/1163792883.db2.gz TUFPJENTORKTBJ-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM C[C@@H](CNC(=O)CCCF)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574904834 1163792887 /nfs/dbraw/zinc/79/28/87/1163792887.db2.gz TUFPJENTORKTBJ-VIFPVBQESA-N -1 1 322.348 0.347 20 0 DCADMM CC(C)n1ccc(C(=O)NCCNC(=O)c2ncccc2[O-])n1 ZINC001575058982 1163872093 /nfs/dbraw/zinc/87/20/93/1163872093.db2.gz PYLSCGXVXIBAIW-UHFFFAOYSA-N -1 1 317.349 0.724 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1csnn1 ZINC001575302283 1163967054 /nfs/dbraw/zinc/96/70/54/1163967054.db2.gz HUTZNVYMCNARPP-YFKPBYRVSA-N -1 1 320.342 0.334 20 0 DCADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1csnn1 ZINC001575302283 1163967057 /nfs/dbraw/zinc/96/70/57/1163967057.db2.gz HUTZNVYMCNARPP-YFKPBYRVSA-N -1 1 320.342 0.334 20 0 DCADMM C[C@@]1(CO)CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575802958 1164157874 /nfs/dbraw/zinc/15/78/74/1164157874.db2.gz RQZPAEUEBCQLJM-ZDUSSCGKSA-N -1 1 322.394 0.985 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC(C)C1 ZINC001575965368 1164196172 /nfs/dbraw/zinc/19/61/72/1164196172.db2.gz UEWWIQWETBGUQS-HWOCKDDLSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC(C)C1 ZINC001575965368 1164196179 /nfs/dbraw/zinc/19/61/79/1164196179.db2.gz UEWWIQWETBGUQS-HWOCKDDLSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576081569 1164233342 /nfs/dbraw/zinc/23/33/42/1164233342.db2.gz JFUJSIXIRGABNG-KWQFWETISA-N -1 1 318.406 0.885 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576084392 1164236440 /nfs/dbraw/zinc/23/64/40/1164236440.db2.gz JHLMMFYSZGVAEU-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576084392 1164236442 /nfs/dbraw/zinc/23/64/42/1164236442.db2.gz JHLMMFYSZGVAEU-IUCAKERBSA-N -1 1 314.353 0.373 20 0 DCADMM CCC(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576411540 1164332961 /nfs/dbraw/zinc/33/29/61/1164332961.db2.gz OTRXYTMRPXVVNR-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCC(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576411540 1164332969 /nfs/dbraw/zinc/33/29/69/1164332969.db2.gz OTRXYTMRPXVVNR-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCC(=O)N[C@@H](C)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001576437174 1164341178 /nfs/dbraw/zinc/34/11/78/1164341178.db2.gz AFBKSOZCAKTIRA-ZETCQYMHSA-N -1 1 319.325 0.124 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001576446325 1164346568 /nfs/dbraw/zinc/34/65/68/1164346568.db2.gz YPIHIOTYJBEWSQ-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001576446325 1164346571 /nfs/dbraw/zinc/34/65/71/1164346571.db2.gz YPIHIOTYJBEWSQ-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576445046 1164347076 /nfs/dbraw/zinc/34/70/76/1164347076.db2.gz NKLUMMCECBVYBF-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576445046 1164347083 /nfs/dbraw/zinc/34/70/83/1164347083.db2.gz NKLUMMCECBVYBF-VHSXEESVSA-N -1 1 316.369 0.764 20 0 DCADMM CCC(C)(C)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576516487 1164374801 /nfs/dbraw/zinc/37/48/01/1164374801.db2.gz UHODKRFWYOUXKD-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CCC(C)(C)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576516487 1164374804 /nfs/dbraw/zinc/37/48/04/1164374804.db2.gz UHODKRFWYOUXKD-UHFFFAOYSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576589726 1164406955 /nfs/dbraw/zinc/40/69/55/1164406955.db2.gz NBLBLRWQUMAASM-NXEZZACHSA-N -1 1 316.369 0.398 20 0 DCADMM CC[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576608051 1164409633 /nfs/dbraw/zinc/40/96/33/1164409633.db2.gz YZLMRWNWQMILIK-BBBLOLIVSA-N -1 1 316.369 0.184 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576604377 1164410748 /nfs/dbraw/zinc/41/07/48/1164410748.db2.gz HDTDJQVXMNSGFL-DTWKUNHWSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576604377 1164410750 /nfs/dbraw/zinc/41/07/50/1164410750.db2.gz HDTDJQVXMNSGFL-DTWKUNHWSA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@H](CNC(=O)C1CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001576789036 1164463256 /nfs/dbraw/zinc/46/32/56/1164463256.db2.gz FEMQPSAOJFPLNB-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)C1CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001576789036 1164463262 /nfs/dbraw/zinc/46/32/62/1164463262.db2.gz FEMQPSAOJFPLNB-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)CC1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576805193 1164470472 /nfs/dbraw/zinc/47/04/72/1164470472.db2.gz VKKUWSIGQYIRPN-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)CC1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576805193 1164470475 /nfs/dbraw/zinc/47/04/75/1164470475.db2.gz VKKUWSIGQYIRPN-SNVBAGLBSA-N -1 1 316.369 0.764 20 0 DCADMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576846579 1164491402 /nfs/dbraw/zinc/49/14/02/1164491402.db2.gz OOHNIPYBWWBDMO-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576846579 1164491411 /nfs/dbraw/zinc/49/14/11/1164491411.db2.gz OOHNIPYBWWBDMO-OPRDCNLKSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@H](OC)C(=O)NCCCN(C)C(=O)c1ncccc1[O-] ZINC001576843708 1164492923 /nfs/dbraw/zinc/49/29/23/1164492923.db2.gz VDJFULDZOJBANU-LBPRGKRZSA-N -1 1 309.366 0.791 20 0 DCADMM CC[C@H](F)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576952658 1164551871 /nfs/dbraw/zinc/55/18/71/1164551871.db2.gz DBYWGNAAUUZWIE-IUCAKERBSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001576952722 1164551915 /nfs/dbraw/zinc/55/19/15/1164551915.db2.gz DRHASXYUUDXUQS-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CC[C@H](F)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001576952722 1164551925 /nfs/dbraw/zinc/55/19/25/1164551925.db2.gz DRHASXYUUDXUQS-BDAKNGLRSA-N -1 1 322.348 0.346 20 0 DCADMM CCCC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001577200494 1164630760 /nfs/dbraw/zinc/63/07/60/1164630760.db2.gz XOLHOLQWQNIHHB-MWLCHTKSSA-N -1 1 316.369 0.716 20 0 DCADMM CCCC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001577200494 1164630761 /nfs/dbraw/zinc/63/07/61/1164630761.db2.gz XOLHOLQWQNIHHB-MWLCHTKSSA-N -1 1 316.369 0.716 20 0 DCADMM CCC[C@H](C)C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577270020 1164655714 /nfs/dbraw/zinc/65/57/14/1164655714.db2.gz PUHDTSKBDSNHRO-UWVGGRQHSA-N -1 1 318.385 0.431 20 0 DCADMM CCC[C@H](O)[C@@H](CO)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001577327058 1164671213 /nfs/dbraw/zinc/67/12/13/1164671213.db2.gz YUMUINUTOPBOFQ-MNOVXSKESA-N -1 1 319.369 0.468 20 0 DCADMM CCC[C@H](O)[C@@H](CO)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001577327058 1164671217 /nfs/dbraw/zinc/67/12/17/1164671217.db2.gz YUMUINUTOPBOFQ-MNOVXSKESA-N -1 1 319.369 0.468 20 0 DCADMM CCCCC(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577407850 1164685746 /nfs/dbraw/zinc/68/57/46/1164685746.db2.gz CPPWFLKSKTWCLR-VHSXEESVSA-N -1 1 318.385 0.574 20 0 DCADMM CCCn1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(C)n1 ZINC001577773824 1164788547 /nfs/dbraw/zinc/78/85/47/1164788547.db2.gz ZXSQPNRHLCHWMH-UHFFFAOYSA-N -1 1 301.314 0.249 20 0 DCADMM CCN(C)C(=O)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001577846319 1164814100 /nfs/dbraw/zinc/81/41/00/1164814100.db2.gz FMKFTHKIAUDOMD-UHFFFAOYSA-N -1 1 312.337 0.604 20 0 DCADMM CCOC(=O)c1nc(CNC(=O)c2ccc3c(c2)NCC3)n[n-]1 ZINC001578066097 1164914576 /nfs/dbraw/zinc/91/45/76/1164914576.db2.gz XOSSJBSYBNUMCE-UHFFFAOYSA-N -1 1 315.333 0.879 20 0 DCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc3c(c2)NCC3)n1 ZINC001578066097 1164914581 /nfs/dbraw/zinc/91/45/81/1164914581.db2.gz XOSSJBSYBNUMCE-UHFFFAOYSA-N -1 1 315.333 0.879 20 0 DCADMM CCOc1nc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)co1 ZINC001578410198 1165002831 /nfs/dbraw/zinc/00/28/31/1165002831.db2.gz PCKADBDBNYVZDK-UHFFFAOYSA-N -1 1 318.297 0.548 20 0 DCADMM CCc1nc(C)ncc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001578617490 1165070024 /nfs/dbraw/zinc/07/00/24/1165070024.db2.gz YLMAUMMARSRPSU-UHFFFAOYSA-N -1 1 313.325 0.811 20 0 DCADMM CCc1nc(N[C@@H](C)C[C@@H](C)NC(C)=O)cc(-c2nnn[n-]2)n1 ZINC001578624224 1165071911 /nfs/dbraw/zinc/07/19/11/1165071911.db2.gz NDJHPWBMTYSLSV-BDAKNGLRSA-N -1 1 318.385 0.934 20 0 DCADMM CCc1nc(N[C@@H](C)C[C@@H](C)NC(C)=O)cc(-c2nn[n-]n2)n1 ZINC001578624224 1165071916 /nfs/dbraw/zinc/07/19/16/1165071916.db2.gz NDJHPWBMTYSLSV-BDAKNGLRSA-N -1 1 318.385 0.934 20 0 DCADMM CCc1nc(NC2CCN(C(C)=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001578645788 1165075956 /nfs/dbraw/zinc/07/59/56/1165075956.db2.gz NWYRRRHWYSYBRJ-UHFFFAOYSA-N -1 1 316.369 0.642 20 0 DCADMM CCc1nc(NC2CCN(C(C)=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001578645788 1165075961 /nfs/dbraw/zinc/07/59/61/1165075961.db2.gz NWYRRRHWYSYBRJ-UHFFFAOYSA-N -1 1 316.369 0.642 20 0 DCADMM CN(C[C@H](O)C1CC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579021163 1165189531 /nfs/dbraw/zinc/18/95/31/1165189531.db2.gz KTZAUZIZSHBNMN-JTQLQIEISA-N -1 1 322.394 0.841 20 0 DCADMM CN(CCNC(=O)C1CCCC1)c1nccnc1-c1nnn[n-]1 ZINC001579168970 1165230637 /nfs/dbraw/zinc/23/06/37/1165230637.db2.gz LIXOPIKMFFYROF-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN(CCNC(=O)C1CCCC1)c1nccnc1-c1nn[n-]n1 ZINC001579168970 1165230644 /nfs/dbraw/zinc/23/06/44/1165230644.db2.gz LIXOPIKMFFYROF-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CN1c2ccccc2C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1=O ZINC001579299017 1165264019 /nfs/dbraw/zinc/26/40/19/1165264019.db2.gz VLXWWQNYQLNIII-SNVBAGLBSA-N -1 1 322.332 0.078 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579470332 1165320468 /nfs/dbraw/zinc/32/04/68/1165320468.db2.gz CFOAXOSWMUGMJG-VXNVDRBHSA-N -1 1 317.309 0.192 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]1CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579470332 1165320475 /nfs/dbraw/zinc/32/04/75/1165320475.db2.gz CFOAXOSWMUGMJG-VXNVDRBHSA-N -1 1 317.309 0.192 20 0 DCADMM COC(=O)c1cc(CNc2ccnc(-c3nn[n-]n3)n2)oc1C ZINC001579478481 1165326117 /nfs/dbraw/zinc/32/61/17/1165326117.db2.gz IZTORLZCFDEUCO-UHFFFAOYSA-N -1 1 315.293 0.379 20 0 DCADMM CO[C@@H](C)C[N@@H+](C)Cc1cc(=O)n2[n-]cc(-c3nn[nH]n3)c2n1 ZINC001579578590 1165350620 /nfs/dbraw/zinc/35/06/20/1165350620.db2.gz GCRBDGWSYYPJMV-QMMMGPOBSA-N -1 1 318.341 0.082 20 0 DCADMM CO[C@@H](C)C[N@H+](C)Cc1cc(=O)n2[n-]cc(-c3nn[n-]n3)c2n1 ZINC001579578590 1165350622 /nfs/dbraw/zinc/35/06/22/1165350622.db2.gz GCRBDGWSYYPJMV-QMMMGPOBSA-N -1 1 318.341 0.082 20 0 DCADMM CO[C@@H](C)C[N@@H+](C)Cc1cc(=O)n2[n-]cc(-c3nn[n-]n3)c2n1 ZINC001579578590 1165350625 /nfs/dbraw/zinc/35/06/25/1165350625.db2.gz GCRBDGWSYYPJMV-QMMMGPOBSA-N -1 1 318.341 0.082 20 0 DCADMM COC1(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC001579602496 1165357862 /nfs/dbraw/zinc/35/78/62/1165357862.db2.gz LJLWSEIBPTVVBR-SECBINFHSA-N -1 1 320.357 0.095 20 0 DCADMM COCc1cncc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001579837044 1165406378 /nfs/dbraw/zinc/40/63/78/1165406378.db2.gz VPWNIPNJUIEITB-UHFFFAOYSA-N -1 1 300.282 0.384 20 0 DCADMM COCc1nnc2n1CCN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC001579844203 1165408056 /nfs/dbraw/zinc/40/80/56/1165408056.db2.gz QDEDWOKVIQFEFD-UHFFFAOYSA-N -1 1 313.325 0.020 20 0 DCADMM COCc1nnc2n1CCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC001579844203 1165408060 /nfs/dbraw/zinc/40/80/60/1165408060.db2.gz QDEDWOKVIQFEFD-UHFFFAOYSA-N -1 1 313.325 0.020 20 0 DCADMM COc1cc(CO)ccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001579929637 1165439969 /nfs/dbraw/zinc/43/99/69/1165439969.db2.gz VMZBSKYXJFIHHU-UHFFFAOYSA-N -1 1 315.293 0.343 20 0 DCADMM COc1cc(CO)ccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001579929637 1165439970 /nfs/dbraw/zinc/43/99/70/1165439970.db2.gz VMZBSKYXJFIHHU-UHFFFAOYSA-N -1 1 315.293 0.343 20 0 DCADMM COc1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)ncn1 ZINC001579935211 1165443180 /nfs/dbraw/zinc/44/31/80/1165443180.db2.gz MITADPDKAWMUBK-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-]Cc2csc(N)n2)c1Cl ZINC001579982269 1165460290 /nfs/dbraw/zinc/46/02/90/1165460290.db2.gz AXJBHKRJCXTNOP-UHFFFAOYSA-N -1 1 307.788 0.591 20 0 DCADMM COc1c[nH]nc1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001580100755 1165502595 /nfs/dbraw/zinc/50/25/95/1165502595.db2.gz ZXEKVDRBKBBGJO-UHFFFAOYSA-N -1 1 303.257 0.990 20 0 DCADMM COc1c[nH]nc1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001580100755 1165502598 /nfs/dbraw/zinc/50/25/98/1165502598.db2.gz ZXEKVDRBKBBGJO-UHFFFAOYSA-N -1 1 303.257 0.990 20 0 DCADMM COc1ncc(NC(=O)c2cnc(C)n2C)cc1-c1nn[n-]n1 ZINC001580139846 1165516843 /nfs/dbraw/zinc/51/68/43/1165516843.db2.gz LVROASJJUVSNAT-UHFFFAOYSA-N -1 1 314.309 0.565 20 0 DCADMM CS[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001580225349 1165540638 /nfs/dbraw/zinc/54/06/38/1165540638.db2.gz CJAHLQLNHTXVRD-RKDXNWHRSA-N -1 1 322.398 0.249 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1cnccn1 ZINC001580309066 1165565882 /nfs/dbraw/zinc/56/58/82/1165565882.db2.gz XTSPBGFDGXNOCP-SSDOTTSWSA-N -1 1 321.322 0.289 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccccc1 ZINC001580420977 1165598985 /nfs/dbraw/zinc/59/89/85/1165598985.db2.gz HFPDFCRUKAAJEV-SNVBAGLBSA-N -1 1 324.348 0.887 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1 ZINC001580420977 1165598992 /nfs/dbraw/zinc/59/89/92/1165598992.db2.gz HFPDFCRUKAAJEV-SNVBAGLBSA-N -1 1 324.348 0.887 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001580451288 1165604945 /nfs/dbraw/zinc/60/49/45/1165604945.db2.gz TXTXPLJCSYHWGG-GUBZILKMSA-N -1 1 314.353 0.326 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001580451288 1165604950 /nfs/dbraw/zinc/60/49/50/1165604950.db2.gz TXTXPLJCSYHWGG-GUBZILKMSA-N -1 1 314.353 0.326 20 0 DCADMM Cc1c(F)c(F)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001580557404 1165639118 /nfs/dbraw/zinc/63/91/18/1165639118.db2.gz IHTIVDKXKMVXMP-UHFFFAOYSA-N -1 1 320.263 0.684 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC[C@H](C)CCO ZINC001580605741 1165653842 /nfs/dbraw/zinc/65/38/42/1165653842.db2.gz HCLBXKFIFDPUNC-QMMMGPOBSA-N -1 1 320.353 0.414 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)C(C)(C)F)n1 ZINC001580694759 1165690033 /nfs/dbraw/zinc/69/00/33/1165690033.db2.gz DOHIRQRWZITGNJ-MRVPVSSYSA-N -1 1 322.348 0.630 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)C(C)(C)F)n1 ZINC001580694759 1165690034 /nfs/dbraw/zinc/69/00/34/1165690034.db2.gz DOHIRQRWZITGNJ-MRVPVSSYSA-N -1 1 322.348 0.630 20 0 DCADMM Cc1cnc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC001581317062 1165811323 /nfs/dbraw/zinc/81/13/23/1165811323.db2.gz USLYEVCJIZVGKJ-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1cnc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC001581317062 1165811326 /nfs/dbraw/zinc/81/13/26/1165811326.db2.gz USLYEVCJIZVGKJ-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1cnccc1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581337233 1165814713 /nfs/dbraw/zinc/81/47/13/1165814713.db2.gz NBTBJUBWRCNYOT-UHFFFAOYSA-N -1 1 316.350 0.770 20 0 DCADMM Cc1cnccc1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581337233 1165814722 /nfs/dbraw/zinc/81/47/22/1165814722.db2.gz NBTBJUBWRCNYOT-UHFFFAOYSA-N -1 1 316.350 0.770 20 0 DCADMM Cc1cocc1C(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001581373547 1165818762 /nfs/dbraw/zinc/81/87/62/1165818762.db2.gz UXYPEYBNQZFGDM-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1cocc1C(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001581373547 1165818769 /nfs/dbraw/zinc/81/87/69/1165818769.db2.gz UXYPEYBNQZFGDM-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1[nH]nc(NC(=O)C2(O)CCSCC2)c1-c1nn[n-]n1 ZINC001581403056 1165821731 /nfs/dbraw/zinc/82/17/31/1165821731.db2.gz WYAWFPAYFCLWQJ-UHFFFAOYSA-N -1 1 309.355 0.095 20 0 DCADMM Cc1noc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001581635680 1165855303 /nfs/dbraw/zinc/85/53/03/1165855303.db2.gz BVXMNGHHZTUMKA-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1nsc(NC(=O)CCN2CCCC2=O)c1-c1nnn[n-]1 ZINC001581683673 1165858235 /nfs/dbraw/zinc/85/82/35/1165858235.db2.gz ILUKPWKPPHONOP-UHFFFAOYSA-N -1 1 321.366 0.583 20 0 DCADMM Cc1nsc(NC(=O)CCN2CCCC2=O)c1-c1nn[n-]n1 ZINC001581683673 1165858242 /nfs/dbraw/zinc/85/82/42/1165858242.db2.gz ILUKPWKPPHONOP-UHFFFAOYSA-N -1 1 321.366 0.583 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cnn(C)c(=O)c1 ZINC001581727189 1165860814 /nfs/dbraw/zinc/86/08/14/1165860814.db2.gz MCAZJTOQDGBZLH-UHFFFAOYSA-N -1 1 301.266 0.114 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cnn(C)c(=O)c1 ZINC001581727189 1165860820 /nfs/dbraw/zinc/86/08/20/1165860820.db2.gz MCAZJTOQDGBZLH-UHFFFAOYSA-N -1 1 301.266 0.114 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)c1-c1nnn[n-]1 ZINC001581739859 1165861326 /nfs/dbraw/zinc/86/13/26/1165861326.db2.gz ZKUXTWJZIGGKSQ-SFYZADRCSA-N -1 1 324.291 0.819 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)c1-c1nn[n-]n1 ZINC001581739859 1165861336 /nfs/dbraw/zinc/86/13/36/1165861336.db2.gz ZKUXTWJZIGGKSQ-SFYZADRCSA-N -1 1 324.291 0.819 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1n[nH]c2c1COCC2 ZINC001581726928 1165862012 /nfs/dbraw/zinc/86/20/12/1165862012.db2.gz BESBKEWOOGQCGG-UHFFFAOYSA-N -1 1 315.293 0.816 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1n[nH]c2c1COCC2 ZINC001581726928 1165862019 /nfs/dbraw/zinc/86/20/19/1165862019.db2.gz BESBKEWOOGQCGG-UHFFFAOYSA-N -1 1 315.293 0.816 20 0 DCADMM Cn1c(=O)[nH]c(NCC=C(Cl)Cl)c(-c2nn[n-]n2)c1=O ZINC001581747343 1165863495 /nfs/dbraw/zinc/86/34/95/1165863495.db2.gz JYEQENWAYZBMMK-UHFFFAOYSA-N -1 1 318.124 0.397 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2C[C@H]2CC(C)(C)C)c(-c2nn[n-]n2)c1=O ZINC001581747296 1165864608 /nfs/dbraw/zinc/86/46/08/1165864608.db2.gz HOTMETGOTBXVQD-JGVFFNPUSA-N -1 1 319.369 0.903 20 0 DCADMM Cn1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)n1 ZINC001581787411 1165876247 /nfs/dbraw/zinc/87/62/47/1165876247.db2.gz WKMIATUDEREEOX-UHFFFAOYSA-N -1 1 315.341 0.804 20 0 DCADMM Cn1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)n1 ZINC001581787411 1165876258 /nfs/dbraw/zinc/87/62/58/1165876258.db2.gz WKMIATUDEREEOX-UHFFFAOYSA-N -1 1 315.341 0.804 20 0 DCADMM Cn1cnnc1[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001581819123 1165881736 /nfs/dbraw/zinc/88/17/36/1165881736.db2.gz ORNOJUWXSYGDBX-MRVPVSSYSA-N -1 1 314.309 0.218 20 0 DCADMM Cn1cnnc1[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001581819123 1165881741 /nfs/dbraw/zinc/88/17/41/1165881741.db2.gz ORNOJUWXSYGDBX-MRVPVSSYSA-N -1 1 314.309 0.218 20 0 DCADMM Cn1nc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1Cl ZINC001581821829 1165884270 /nfs/dbraw/zinc/88/42/70/1165884270.db2.gz PSKHARBHITXLOV-UHFFFAOYSA-N -1 1 324.757 0.640 20 0 DCADMM Cn1nc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1Cl ZINC001581821829 1165884278 /nfs/dbraw/zinc/88/42/78/1165884278.db2.gz PSKHARBHITXLOV-UHFFFAOYSA-N -1 1 324.757 0.640 20 0 DCADMM O=C(C1CC1)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001581923178 1165914627 /nfs/dbraw/zinc/91/46/27/1165914627.db2.gz XZWQENKWUIJIPS-SECBINFHSA-N -1 1 314.353 0.327 20 0 DCADMM O=C(C1CC1)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001581923178 1165914636 /nfs/dbraw/zinc/91/46/36/1165914636.db2.gz XZWQENKWUIJIPS-SECBINFHSA-N -1 1 314.353 0.327 20 0 DCADMM O=C(CCCF)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001582045064 1165943528 /nfs/dbraw/zinc/94/35/28/1165943528.db2.gz KPLRWOIZHGBDNT-SECBINFHSA-N -1 1 320.332 0.101 20 0 DCADMM O=C(CCCF)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001582045064 1165943530 /nfs/dbraw/zinc/94/35/30/1165943530.db2.gz KPLRWOIZHGBDNT-SECBINFHSA-N -1 1 320.332 0.101 20 0 DCADMM O=C(COCc1cccnc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582126985 1165962158 /nfs/dbraw/zinc/96/21/58/1165962158.db2.gz LIZLAOBRRCGNTK-UHFFFAOYSA-N -1 1 300.282 0.140 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cnc2ccnn2c1 ZINC001582138409 1165968148 /nfs/dbraw/zinc/96/81/48/1165968148.db2.gz CRUCGUZRNGDZEP-UHFFFAOYSA-N -1 1 321.304 0.486 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cnc2ccnn2c1 ZINC001582138409 1165968155 /nfs/dbraw/zinc/96/81/55/1165968155.db2.gz CRUCGUZRNGDZEP-UHFFFAOYSA-N -1 1 321.304 0.486 20 0 DCADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001582463760 1166022512 /nfs/dbraw/zinc/02/25/12/1166022512.db2.gz XZZWRVUFZJGKEP-VIFPVBQESA-N -1 1 314.353 0.009 20 0 DCADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001582463760 1166022517 /nfs/dbraw/zinc/02/25/17/1166022517.db2.gz XZZWRVUFZJGKEP-VIFPVBQESA-N -1 1 314.353 0.009 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C1=C[S@@](=O)CCC1 ZINC001582548762 1166039556 /nfs/dbraw/zinc/03/95/56/1166039556.db2.gz XJGAVHIIXPBJTD-NRFANRHFSA-N -1 1 323.403 0.971 20 0 DCADMM O=C(NCc1ccc(=O)[nH]n1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001582551421 1166040473 /nfs/dbraw/zinc/04/04/73/1166040473.db2.gz JPAOKIGFMKTCIK-UHFFFAOYSA-N -1 1 313.281 0.079 20 0 DCADMM O=C(NCc1ccc(=O)[nH]n1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001582551421 1166040479 /nfs/dbraw/zinc/04/04/79/1166040479.db2.gz JPAOKIGFMKTCIK-UHFFFAOYSA-N -1 1 313.281 0.079 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H](O)c1ccccc1 ZINC001582554479 1166042616 /nfs/dbraw/zinc/04/26/16/1166042616.db2.gz LLNYXDDQXKAZRU-CYBMUJFWSA-N -1 1 310.317 0.612 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H](O)c1ccccc1 ZINC001582554479 1166042622 /nfs/dbraw/zinc/04/26/22/1166042622.db2.gz LLNYXDDQXKAZRU-CYBMUJFWSA-N -1 1 310.317 0.612 20 0 DCADMM O=C(NCc1cnn(CCF)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001582558196 1166044484 /nfs/dbraw/zinc/04/44/84/1166044484.db2.gz LINALRCYQPNFDR-UHFFFAOYSA-N -1 1 316.300 0.358 20 0 DCADMM O=C(NCc1cnn(CCF)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001582558196 1166044493 /nfs/dbraw/zinc/04/44/93/1166044493.db2.gz LINALRCYQPNFDR-UHFFFAOYSA-N -1 1 316.300 0.358 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001582701749 1166067765 /nfs/dbraw/zinc/06/77/65/1166067765.db2.gz XYWHCGKVKNJAOV-IUCAKERBSA-N -1 1 306.301 0.328 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001582701749 1166067773 /nfs/dbraw/zinc/06/77/73/1166067773.db2.gz XYWHCGKVKNJAOV-IUCAKERBSA-N -1 1 306.301 0.328 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@H](c2ncon2)C1 ZINC001582744673 1166074336 /nfs/dbraw/zinc/07/43/36/1166074336.db2.gz CAVNWUNCIFVUCN-ZETCQYMHSA-N -1 1 317.334 0.941 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1noc(-c2ccccc2)n1 ZINC001582806480 1166086796 /nfs/dbraw/zinc/08/67/96/1166086796.db2.gz DVDIMOPQMUACJZ-UHFFFAOYSA-N -1 1 322.288 0.522 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1CC[C@H](O)c1ccccc1 ZINC001582807163 1166088215 /nfs/dbraw/zinc/08/82/15/1166088215.db2.gz WYFZSVGPSMUVAC-NSHDSACASA-N -1 1 314.305 0.253 20 0 DCADMM O=C(CNC(=O)c1ncccc1[O-])NCCO[C@H]1CC1(F)F ZINC001583927452 1166295691 /nfs/dbraw/zinc/29/56/91/1166295691.db2.gz TVQVAEQLDQFYLV-VIFPVBQESA-N -1 1 315.276 0.057 20 0 DCADMM Cc1nn(C)cc1NC(=O)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001584140648 1166309927 /nfs/dbraw/zinc/30/99/27/1166309927.db2.gz ASWANWRGAICDCY-UHFFFAOYSA-N -1 1 314.305 0.560 20 0 DCADMM C[C@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)c1cnccn1 ZINC001586106282 1166479628 /nfs/dbraw/zinc/47/96/28/1166479628.db2.gz XIRPNLDITZLWOZ-GXFFZTMASA-N -1 1 309.333 0.999 20 0 DCADMM CN(C(=O)c1nc(Br)ccc1F)c1nn[n-]n1 ZINC001586262108 1166490058 /nfs/dbraw/zinc/49/00/58/1166490058.db2.gz GKTAWJQXPZJCPF-UHFFFAOYSA-N -1 1 301.079 0.773 20 0 DCADMM CC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588796744 1166589471 /nfs/dbraw/zinc/58/94/71/1166589471.db2.gz DMXCDBPGJMETDH-NSHDSACASA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588796744 1166589481 /nfs/dbraw/zinc/58/94/81/1166589481.db2.gz DMXCDBPGJMETDH-NSHDSACASA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1C[C@@H](C)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588806976 1166591538 /nfs/dbraw/zinc/59/15/38/1166591538.db2.gz QRSGRWKXHHLONG-RDDDGLTNSA-N -1 1 302.342 0.244 20 0 DCADMM CC(=O)N1C[C@@H](C)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588806976 1166591544 /nfs/dbraw/zinc/59/15/44/1166591544.db2.gz QRSGRWKXHHLONG-RDDDGLTNSA-N -1 1 302.342 0.244 20 0 DCADMM CC(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588807058 1166592880 /nfs/dbraw/zinc/59/28/80/1166592880.db2.gz XASYEZFZWKLARE-PSASIEDQSA-N -1 1 302.342 0.183 20 0 DCADMM CC(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588807058 1166592888 /nfs/dbraw/zinc/59/28/88/1166592888.db2.gz XASYEZFZWKLARE-PSASIEDQSA-N -1 1 302.342 0.183 20 0 DCADMM CC(=O)N1CCC(CNc2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001588811114 1166595363 /nfs/dbraw/zinc/59/53/63/1166595363.db2.gz ZZFOJVWEVKOWIG-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)N1CCC(CNc2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001588811114 1166595368 /nfs/dbraw/zinc/59/53/68/1166595368.db2.gz ZZFOJVWEVKOWIG-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588819266 1166598014 /nfs/dbraw/zinc/59/80/14/1166598014.db2.gz XIHOVCQKGDFBTH-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588819266 1166598020 /nfs/dbraw/zinc/59/80/20/1166598020.db2.gz XIHOVCQKGDFBTH-SNVBAGLBSA-N -1 1 302.342 0.104 20 0 DCADMM CC(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001588822085 1166600989 /nfs/dbraw/zinc/60/09/89/1166600989.db2.gz XQPDCGHAIMPXCJ-NSHDSACASA-N -1 1 316.321 0.522 20 0 DCADMM CC(=O)NC1CCC(Nc2ncncc2-c2nn[n-]n2)CC1 ZINC001588839311 1166604199 /nfs/dbraw/zinc/60/41/99/1166604199.db2.gz CPJZIPCPAPZOHL-UHFFFAOYSA-N -1 1 302.342 0.516 20 0 DCADMM CC(=O)NCC[C@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001588858454 1166610380 /nfs/dbraw/zinc/61/03/80/1166610380.db2.gz WHHITZAPSUGATI-LLVKDONJSA-N -1 1 316.369 0.399 20 0 DCADMM CC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588872585 1166614196 /nfs/dbraw/zinc/61/41/96/1166614196.db2.gz ZXJOWSARHSVCQZ-SCZZXKLOSA-N -1 1 302.342 0.068 20 0 DCADMM CC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588872585 1166614198 /nfs/dbraw/zinc/61/41/98/1166614198.db2.gz ZXJOWSARHSVCQZ-SCZZXKLOSA-N -1 1 302.342 0.068 20 0 DCADMM CC(=O)c1cc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)n(C)c1 ZINC001588895097 1166615339 /nfs/dbraw/zinc/61/53/39/1166615339.db2.gz UIOKBGYEPCATQD-UHFFFAOYSA-N -1 1 314.309 0.692 20 0 DCADMM C[C@@H](C(=O)N1CCOC(C)(C)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001588959673 1166622171 /nfs/dbraw/zinc/62/21/71/1166622171.db2.gz HBPGBJSIQIKKNH-IUCAKERBSA-N -1 1 320.357 0.045 20 0 DCADMM C[C@H](C(=O)N1C[C@@H](C)OCC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001588963413 1166622450 /nfs/dbraw/zinc/62/24/50/1166622450.db2.gz WGOPLRJSZASXAT-OPRDCNLKSA-N -1 1 320.357 0.045 20 0 DCADMM C[C@@H](C(=O)N1C[C@@H]2CCCC[C@@H]2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588947979 1166622489 /nfs/dbraw/zinc/62/24/89/1166622489.db2.gz BNKCMFJYQAGOQP-GARJFASQSA-N -1 1 316.369 0.668 20 0 DCADMM C[C@@H](C(=O)N[C@H]1CCCC1(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001588974015 1166623331 /nfs/dbraw/zinc/62/33/31/1166623331.db2.gz WFKAGIVYDWCLGV-IUCAKERBSA-N -1 1 304.358 0.714 20 0 DCADMM C[C@H](C(=O)NC[C@@]1(C)CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001588978212 1166624831 /nfs/dbraw/zinc/62/48/31/1166624831.db2.gz HDRXHPQMMNPJCD-LHLIQPBNSA-N -1 1 312.284 0.181 20 0 DCADMM C[C@H](C(=O)Nc1cc(Cl)[nH]n1)n1cnc(-c2nn[n-]n2)n1 ZINC001589011867 1166626156 /nfs/dbraw/zinc/62/61/56/1166626156.db2.gz PKJYGDOSSOGABT-SCSAIBSYSA-N -1 1 308.693 0.034 20 0 DCADMM C[C@H](C(=O)Nc1nc2ccccc2[nH]1)n1cnc(-c2nn[n-]n2)n1 ZINC001589025040 1166629726 /nfs/dbraw/zinc/62/97/26/1166629726.db2.gz IVDLKZNAHYLWMS-SSDOTTSWSA-N -1 1 324.308 0.534 20 0 DCADMM C[C@H](C(=O)OCc1cnsc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589031913 1166630517 /nfs/dbraw/zinc/63/05/17/1166630517.db2.gz CFGHIZZKBDVODE-ZCFIWIBFSA-N -1 1 306.311 0.219 20 0 DCADMM C[C@@H](C(=O)OC(C1CC1)C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589026680 1166631158 /nfs/dbraw/zinc/63/11/58/1166631158.db2.gz KBAINNULTYXRBK-ZETCQYMHSA-N -1 1 303.326 0.751 20 0 DCADMM CC(C)(C(=O)n1ncc(-c2nn[n-]n2)c1N)[C@H]1CCCCO1 ZINC001589064521 1166634051 /nfs/dbraw/zinc/63/40/51/1166634051.db2.gz MVNKPYICEJZXNQ-SECBINFHSA-N -1 1 305.342 0.881 20 0 DCADMM CC(C)(C)CCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589125060 1166634918 /nfs/dbraw/zinc/63/49/18/1166634918.db2.gz QWZMABXVKKQHHM-UHFFFAOYSA-N -1 1 317.353 0.753 20 0 DCADMM CC(C)(C)CCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589125060 1166634922 /nfs/dbraw/zinc/63/49/22/1166634922.db2.gz QWZMABXVKKQHHM-UHFFFAOYSA-N -1 1 317.353 0.753 20 0 DCADMM CC(C)(C)OC(=O)[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589189710 1166639369 /nfs/dbraw/zinc/63/93/69/1166639369.db2.gz XNCPTEDTXBSMTE-DTORHVGOSA-N -1 1 317.353 0.611 20 0 DCADMM CC(C)(C)OC(=O)NCCOc1cnc(-c2nn[n-]n2)nc1 ZINC001589183336 1166639422 /nfs/dbraw/zinc/63/94/22/1166639422.db2.gz TWVRKGZRRLKYFX-UHFFFAOYSA-N -1 1 307.314 0.560 20 0 DCADMM CC(C)(CNC(=O)c1coc(-c2nnn[n-]2)c1)[C@@]1(O)CCOC1 ZINC001589286215 1166641755 /nfs/dbraw/zinc/64/17/55/1166641755.db2.gz BOXMAQUIBLPGAB-CQSZACIVSA-N -1 1 321.337 0.367 20 0 DCADMM CC(C)(CNC(=O)c1coc(-c2nn[n-]n2)c1)[C@@]1(O)CCOC1 ZINC001589286215 1166641760 /nfs/dbraw/zinc/64/17/60/1166641760.db2.gz BOXMAQUIBLPGAB-CQSZACIVSA-N -1 1 321.337 0.367 20 0 DCADMM CC(C)(F)C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589311215 1166647440 /nfs/dbraw/zinc/64/74/40/1166647440.db2.gz CSQUIRADWUOLQY-ONEGZZNKSA-N -1 1 320.332 0.489 20 0 DCADMM CC(C)(F)C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589311215 1166647447 /nfs/dbraw/zinc/64/74/47/1166647447.db2.gz CSQUIRADWUOLQY-ONEGZZNKSA-N -1 1 320.332 0.489 20 0 DCADMM CC(C)(F)C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001589311236 1166647749 /nfs/dbraw/zinc/64/77/49/1166647749.db2.gz DNBHQKCOZKHBIP-UHFFFAOYSA-N -1 1 308.321 0.323 20 0 DCADMM CC(C)(F)C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001589311236 1166647753 /nfs/dbraw/zinc/64/77/53/1166647753.db2.gz DNBHQKCOZKHBIP-UHFFFAOYSA-N -1 1 308.321 0.323 20 0 DCADMM CC(C)(O)C(C)(C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589326295 1166648223 /nfs/dbraw/zinc/64/82/23/1166648223.db2.gz BPTKEHPIIJYNGV-UHFFFAOYSA-N -1 1 305.342 0.933 20 0 DCADMM CC(C)(O)C(C)(C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589326295 1166648229 /nfs/dbraw/zinc/64/82/29/1166648229.db2.gz BPTKEHPIIJYNGV-UHFFFAOYSA-N -1 1 305.342 0.933 20 0 DCADMM CC(C)=CC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001589370079 1166651402 /nfs/dbraw/zinc/65/14/02/1166651402.db2.gz MKGNMIXFAVXOMB-AOOOYVTPSA-N -1 1 314.353 0.682 20 0 DCADMM CC(C)=CC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001589370079 1166651407 /nfs/dbraw/zinc/65/14/07/1166651407.db2.gz MKGNMIXFAVXOMB-AOOOYVTPSA-N -1 1 314.353 0.682 20 0 DCADMM CC(C)C(=O)NCCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589405422 1166657054 /nfs/dbraw/zinc/65/70/54/1166657054.db2.gz FGWGGNRHKZYONK-UHFFFAOYSA-N -1 1 320.328 0.508 20 0 DCADMM CC(C)C(=O)NCCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589405422 1166657057 /nfs/dbraw/zinc/65/70/57/1166657057.db2.gz FGWGGNRHKZYONK-UHFFFAOYSA-N -1 1 320.328 0.508 20 0 DCADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC001589500027 1166663308 /nfs/dbraw/zinc/66/33/08/1166663308.db2.gz VUXVXPZKQFPRGW-ONGXEEELSA-N -1 1 319.369 0.990 20 0 DCADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC001589500027 1166663309 /nfs/dbraw/zinc/66/33/09/1166663309.db2.gz VUXVXPZKQFPRGW-ONGXEEELSA-N -1 1 319.369 0.990 20 0 DCADMM CC(C)[C@H]1N(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001589520116 1166665626 /nfs/dbraw/zinc/66/56/26/1166665626.db2.gz OUZYYHLBPVPLRC-NXEZZACHSA-N -1 1 318.385 0.912 20 0 DCADMM CC(C)CCC(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001589582480 1166666144 /nfs/dbraw/zinc/66/61/44/1166666144.db2.gz XEFNIDCSRLNWDN-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CC(C)CCC(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001589582480 1166666155 /nfs/dbraw/zinc/66/61/55/1166666155.db2.gz XEFNIDCSRLNWDN-UHFFFAOYSA-N -1 1 304.358 0.621 20 0 DCADMM CC(C)CCc1noc(Cn2cncc(-c3nn[n-]n3)c2=O)n1 ZINC001589610018 1166667640 /nfs/dbraw/zinc/66/76/40/1166667640.db2.gz SIQXAUXFZILGPD-UHFFFAOYSA-N -1 1 316.325 0.443 20 0 DCADMM CC(C)NC(=O)OC1CN(Cc2cccc(-c3nnn[n-]3)n2)C1 ZINC001589724873 1166678582 /nfs/dbraw/zinc/67/85/82/1166678582.db2.gz ZIRLPPGSPAOHMW-UHFFFAOYSA-N -1 1 317.353 0.581 20 0 DCADMM CC(C)NC(=O)OC1CN(Cc2cccc(-c3nn[n-]n3)n2)C1 ZINC001589724873 1166678588 /nfs/dbraw/zinc/67/85/88/1166678588.db2.gz ZIRLPPGSPAOHMW-UHFFFAOYSA-N -1 1 317.353 0.581 20 0 DCADMM CC(C)OC1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001589739477 1166681600 /nfs/dbraw/zinc/68/16/00/1166681600.db2.gz LBXSYYXJRKFBEM-UHFFFAOYSA-N -1 1 313.339 0.258 20 0 DCADMM CC(C)c1[nH]ccc1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589765373 1166684205 /nfs/dbraw/zinc/68/42/05/1166684205.db2.gz RFSZGJFHJIBUME-UHFFFAOYSA-N -1 1 315.341 0.340 20 0 DCADMM CC(C)[C@H](NC=O)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001589765738 1166685782 /nfs/dbraw/zinc/68/57/82/1166685782.db2.gz OAIHMGACOMFOST-JTQLQIEISA-N -1 1 304.310 0.076 20 0 DCADMM CC(C)[C@H](NC=O)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001589765738 1166685786 /nfs/dbraw/zinc/68/57/86/1166685786.db2.gz OAIHMGACOMFOST-JTQLQIEISA-N -1 1 304.310 0.076 20 0 DCADMM CC(C)c1ccoc1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001589773200 1166686167 /nfs/dbraw/zinc/68/61/67/1166686167.db2.gz RWSSOAGZLMMFDN-UHFFFAOYSA-N -1 1 316.325 0.605 20 0 DCADMM CC(C)n1ncnc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589785668 1166688804 /nfs/dbraw/zinc/68/88/04/1166688804.db2.gz RGTJRZLFZFUQIT-UHFFFAOYSA-N -1 1 302.298 0.562 20 0 DCADMM CC(C)n1ncnc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589785668 1166688809 /nfs/dbraw/zinc/68/88/09/1166688809.db2.gz RGTJRZLFZFUQIT-UHFFFAOYSA-N -1 1 302.298 0.562 20 0 DCADMM C[C@H](CC(N)=O)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589800518 1166691502 /nfs/dbraw/zinc/69/15/02/1166691502.db2.gz YAMCQFZTJCXXAX-ZCFIWIBFSA-N -1 1 324.291 0.273 20 0 DCADMM C[C@H](CC(N)=O)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589800518 1166691507 /nfs/dbraw/zinc/69/15/07/1166691507.db2.gz YAMCQFZTJCXXAX-ZCFIWIBFSA-N -1 1 324.291 0.273 20 0 DCADMM CC(C)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589837569 1166697513 /nfs/dbraw/zinc/69/75/13/1166697513.db2.gz AKNZQAGHELOYND-VIFPVBQESA-N -1 1 304.358 0.572 20 0 DCADMM CC(C)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589837569 1166697514 /nfs/dbraw/zinc/69/75/14/1166697514.db2.gz AKNZQAGHELOYND-VIFPVBQESA-N -1 1 304.358 0.572 20 0 DCADMM C[C@H](CN1CCCC1=O)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589848889 1166699740 /nfs/dbraw/zinc/69/97/40/1166699740.db2.gz IWHIEPAYIMTFLK-SECBINFHSA-N -1 1 316.321 0.429 20 0 DCADMM C[C@H](CN1CCCC1=O)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589848889 1166699741 /nfs/dbraw/zinc/69/97/41/1166699741.db2.gz IWHIEPAYIMTFLK-SECBINFHSA-N -1 1 316.321 0.429 20 0 DCADMM C[C@H](CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589850991 1166699917 /nfs/dbraw/zinc/69/99/17/1166699917.db2.gz WUWQJZKDFQWHQX-MRVPVSSYSA-N -1 1 315.337 0.363 20 0 DCADMM C[C@H](CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589850991 1166699927 /nfs/dbraw/zinc/69/99/27/1166699927.db2.gz WUWQJZKDFQWHQX-MRVPVSSYSA-N -1 1 315.337 0.363 20 0 DCADMM C[C@@H](CNC(=O)CCCF)Nc1nccnc1-c1nnn[n-]1 ZINC001589856007 1166700459 /nfs/dbraw/zinc/70/04/59/1166700459.db2.gz YEBLLUBVYUTHSJ-QMMMGPOBSA-N -1 1 308.321 0.323 20 0 DCADMM C[C@@H](CNC(=O)CCCF)Nc1nccnc1-c1nn[n-]n1 ZINC001589856007 1166700466 /nfs/dbraw/zinc/70/04/66/1166700466.db2.gz YEBLLUBVYUTHSJ-QMMMGPOBSA-N -1 1 308.321 0.323 20 0 DCADMM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589883025 1166705478 /nfs/dbraw/zinc/70/54/78/1166705478.db2.gz BDRBTQQILKQDDS-RKDXNWHRSA-N -1 1 307.310 0.384 20 0 DCADMM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589883025 1166705483 /nfs/dbraw/zinc/70/54/83/1166705483.db2.gz BDRBTQQILKQDDS-RKDXNWHRSA-N -1 1 307.310 0.384 20 0 DCADMM C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589883020 1166706187 /nfs/dbraw/zinc/70/61/87/1166706187.db2.gz BDRBTQQILKQDDS-BDAKNGLRSA-N -1 1 307.310 0.384 20 0 DCADMM C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589883020 1166706192 /nfs/dbraw/zinc/70/61/92/1166706192.db2.gz BDRBTQQILKQDDS-BDAKNGLRSA-N -1 1 307.310 0.384 20 0 DCADMM C[C@H](Cc1cnn(C)c1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001589903652 1166713319 /nfs/dbraw/zinc/71/33/19/1166713319.db2.gz CLMIPJRVAGCHBI-SSDOTTSWSA-N -1 1 318.366 0.874 20 0 DCADMM C[C@H](Cc1cnn(C)c1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001589903652 1166713323 /nfs/dbraw/zinc/71/33/23/1166713323.db2.gz CLMIPJRVAGCHBI-SSDOTTSWSA-N -1 1 318.366 0.874 20 0 DCADMM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001589903653 1166714134 /nfs/dbraw/zinc/71/41/34/1166714134.db2.gz CLMIPJRVAGCHBI-ZETCQYMHSA-N -1 1 318.366 0.874 20 0 DCADMM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001589903653 1166714139 /nfs/dbraw/zinc/71/41/39/1166714139.db2.gz CLMIPJRVAGCHBI-ZETCQYMHSA-N -1 1 318.366 0.874 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ncon1 ZINC001589925843 1166720580 /nfs/dbraw/zinc/72/05/80/1166720580.db2.gz HEPYTAPGUZQAIS-ZETCQYMHSA-N -1 1 300.282 0.065 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ncon1 ZINC001589925843 1166720586 /nfs/dbraw/zinc/72/05/86/1166720586.db2.gz HEPYTAPGUZQAIS-ZETCQYMHSA-N -1 1 300.282 0.065 20 0 DCADMM C[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)NCCF ZINC001589945819 1166728564 /nfs/dbraw/zinc/72/85/64/1166728564.db2.gz CGVPNONERLXGHM-SSDOTTSWSA-N -1 1 324.291 0.210 20 0 DCADMM C[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)NCCF ZINC001589945819 1166728574 /nfs/dbraw/zinc/72/85/74/1166728574.db2.gz CGVPNONERLXGHM-SSDOTTSWSA-N -1 1 324.291 0.210 20 0 DCADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1(S(C)(=O)=O)CC1 ZINC001589981979 1166734852 /nfs/dbraw/zinc/73/48/52/1166734852.db2.gz DLKGPWZPDHHBDH-ZETCQYMHSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1(S(C)(=O)=O)CC1 ZINC001589981979 1166734857 /nfs/dbraw/zinc/73/48/57/1166734857.db2.gz DLKGPWZPDHHBDH-ZETCQYMHSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H](O)[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001589997590 1166742143 /nfs/dbraw/zinc/74/21/43/1166742143.db2.gz SCNLJOOWRAEFAS-QPUJVOFHSA-N -1 1 315.312 0.752 20 0 DCADMM C[C@@H](O)[C@@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001589996113 1166743708 /nfs/dbraw/zinc/74/37/08/1166743708.db2.gz PWNNFCPYKPZHHC-RKDXNWHRSA-N -1 1 305.313 0.849 20 0 DCADMM C[C@@H](O)[C@@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001589996113 1166743715 /nfs/dbraw/zinc/74/37/15/1166743715.db2.gz PWNNFCPYKPZHHC-RKDXNWHRSA-N -1 1 305.313 0.849 20 0 DCADMM C[C@H](c1nc(-c2cocn2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590053160 1166761121 /nfs/dbraw/zinc/76/11/21/1166761121.db2.gz FJFQOMGVHASOGA-RXMQYKEDSA-N -1 1 300.242 0.106 20 0 DCADMM C[C@H](c1nc(-c2ccncc2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590053158 1166761244 /nfs/dbraw/zinc/76/12/44/1166761244.db2.gz FBZXAHHXLUINOL-SSDOTTSWSA-N -1 1 310.281 0.513 20 0 DCADMM CC1(C)CC[C@H](NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590090634 1166770566 /nfs/dbraw/zinc/77/05/66/1166770566.db2.gz OOFSINCXZBXXMC-VIFPVBQESA-N -1 1 319.373 0.336 20 0 DCADMM CC1(C)CCC[C@@]1(O)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590098710 1166773188 /nfs/dbraw/zinc/77/31/88/1166773188.db2.gz ZTURTMQEZWKBMX-OAHLLOKOSA-N -1 1 316.365 0.933 20 0 DCADMM CC1(C)CCC[C@@]1(O)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590098710 1166773196 /nfs/dbraw/zinc/77/31/96/1166773196.db2.gz ZTURTMQEZWKBMX-OAHLLOKOSA-N -1 1 316.365 0.933 20 0 DCADMM CC1(C)OCC(NC(=O)c2cccc(F)c2-c2nnn[n-]2)CO1 ZINC001590115725 1166779731 /nfs/dbraw/zinc/77/97/31/1166779731.db2.gz WNCLDCFCBSVCMO-UHFFFAOYSA-N -1 1 321.312 0.887 20 0 DCADMM CC1(C)OCC(NC(=O)c2cccc(F)c2-c2nn[n-]n2)CO1 ZINC001590115725 1166779736 /nfs/dbraw/zinc/77/97/36/1166779736.db2.gz WNCLDCFCBSVCMO-UHFFFAOYSA-N -1 1 321.312 0.887 20 0 DCADMM CC1(C=CC(=O)n2ncc(-c3nn[n-]n3)c2N)CCOCC1 ZINC001590121215 1166782712 /nfs/dbraw/zinc/78/27/12/1166782712.db2.gz ZMCQVSZGKPEYII-NSCUHMNNSA-N -1 1 303.326 0.659 20 0 DCADMM C[C@@]1(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)CCCO1 ZINC001590133442 1166784225 /nfs/dbraw/zinc/78/42/25/1166784225.db2.gz CQBOXBDNEZGEEX-LBPRGKRZSA-N -1 1 324.366 0.109 20 0 DCADMM C[C@]1(OC(=O)c2coc(-c3nnn[n-]3)c2)CCS(=O)(=O)C1 ZINC001590149988 1166790152 /nfs/dbraw/zinc/79/01/52/1166790152.db2.gz ICMYEUISZBNKLJ-NSHDSACASA-N -1 1 312.307 0.194 20 0 DCADMM C[C@]1(OC(=O)c2coc(-c3nn[n-]n3)c2)CCS(=O)(=O)C1 ZINC001590149988 1166790158 /nfs/dbraw/zinc/79/01/58/1166790158.db2.gz ICMYEUISZBNKLJ-NSHDSACASA-N -1 1 312.307 0.194 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H](C)O1 ZINC001590199478 1166809875 /nfs/dbraw/zinc/80/98/75/1166809875.db2.gz KYIWQBLIYKSJQS-NQMVMOMDSA-N -1 1 303.326 0.949 20 0 DCADMM C[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H](C)O1 ZINC001590199478 1166809881 /nfs/dbraw/zinc/80/98/81/1166809881.db2.gz KYIWQBLIYKSJQS-NQMVMOMDSA-N -1 1 303.326 0.949 20 0 DCADMM C[C@H]1C[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)c2ncnn21 ZINC001590203248 1166811216 /nfs/dbraw/zinc/81/12/16/1166811216.db2.gz PCXMAGUGQXWEMI-XVKPBYJWSA-N -1 1 311.309 0.289 20 0 DCADMM C[C@H]1C[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)c2ncnn21 ZINC001590203248 1166811222 /nfs/dbraw/zinc/81/12/22/1166811222.db2.gz PCXMAGUGQXWEMI-XVKPBYJWSA-N -1 1 311.309 0.289 20 0 DCADMM CC1CCC(NC(=O)Cn2cnc(-c3nn[n-]n3)cc2=O)CC1 ZINC001590234044 1166820721 /nfs/dbraw/zinc/82/07/21/1166820721.db2.gz QQOYTCCFGYZSAT-UHFFFAOYSA-N -1 1 317.353 0.118 20 0 DCADMM C[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)CS1(=O)=O ZINC001590241380 1166823600 /nfs/dbraw/zinc/82/36/00/1166823600.db2.gz WERWMENLJXRUII-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)CS1(=O)=O ZINC001590241380 1166823604 /nfs/dbraw/zinc/82/36/04/1166823604.db2.gz WERWMENLJXRUII-JGVFFNPUSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CCC[C@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001590256197 1166828803 /nfs/dbraw/zinc/82/88/03/1166828803.db2.gz XSXTUPIVUHGXBK-YUMQZZPRSA-N -1 1 305.342 0.657 20 0 DCADMM C[C@@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC001590256394 1166829307 /nfs/dbraw/zinc/82/93/07/1166829307.db2.gz ZTXDMKWJICDDQX-BDAKNGLRSA-N -1 1 319.369 0.255 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCO1 ZINC001590268433 1166831560 /nfs/dbraw/zinc/83/15/60/1166831560.db2.gz XWPBFGXANNRHKQ-QMMMGPOBSA-N -1 1 306.330 0.243 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCO1 ZINC001590268433 1166831567 /nfs/dbraw/zinc/83/15/67/1166831567.db2.gz XWPBFGXANNRHKQ-QMMMGPOBSA-N -1 1 306.330 0.243 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1CO ZINC001590268365 1166833219 /nfs/dbraw/zinc/83/32/19/1166833219.db2.gz WVRUMXVDIQRICR-PSASIEDQSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1CO ZINC001590268365 1166833225 /nfs/dbraw/zinc/83/32/25/1166833225.db2.gz WVRUMXVDIQRICR-PSASIEDQSA-N -1 1 303.326 0.496 20 0 DCADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)[C@@H]1CO ZINC001590275507 1166836803 /nfs/dbraw/zinc/83/68/03/1166836803.db2.gz CWCYWFKYWJUCRE-LDYMZIIASA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)[C@@H]1CO ZINC001590275507 1166836811 /nfs/dbraw/zinc/83/68/11/1166836811.db2.gz CWCYWFKYWJUCRE-LDYMZIIASA-N -1 1 301.354 0.741 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)[S@@]1=O ZINC001590299051 1166846121 /nfs/dbraw/zinc/84/61/21/1166846121.db2.gz SZHZOAWDXVLHHC-VDKUODGRSA-N -1 1 320.378 0.243 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)[S@@]1=O ZINC001590299051 1166846127 /nfs/dbraw/zinc/84/61/27/1166846127.db2.gz SZHZOAWDXVLHHC-VDKUODGRSA-N -1 1 320.378 0.243 20 0 DCADMM C[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CC[S@](=O)C1 ZINC001590309198 1166855152 /nfs/dbraw/zinc/85/51/52/1166855152.db2.gz WRJLIRHPAASQOI-CWKPULSASA-N -1 1 306.395 0.462 20 0 DCADMM C[C@H]1Cc2ccccc2N1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590331718 1166867325 /nfs/dbraw/zinc/86/73/25/1166867325.db2.gz RCSMMIFKEHQHEM-NSHDSACASA-N -1 1 322.376 0.942 20 0 DCADMM C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc(-c2nn[n-]n2)nn1 ZINC001590331276 1166869302 /nfs/dbraw/zinc/86/93/02/1166869302.db2.gz JSLQAHOVWMKKKV-SECBINFHSA-N -1 1 310.321 0.436 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001590334679 1166873650 /nfs/dbraw/zinc/87/36/50/1166873650.db2.gz SQANEALGCGYGPV-TVQRCGJNSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001590334679 1166873655 /nfs/dbraw/zinc/87/36/55/1166873655.db2.gz SQANEALGCGYGPV-TVQRCGJNSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1OCC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001590340341 1166877554 /nfs/dbraw/zinc/87/75/54/1166877554.db2.gz YTZAIULMZSXSEN-SVRRBLITSA-N -1 1 303.326 0.831 20 0 DCADMM C/C=C(\C)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001590346194 1166879997 /nfs/dbraw/zinc/87/99/97/1166879997.db2.gz LJWYEAQHRXKYJX-YCRREMRBSA-N -1 1 314.353 0.684 20 0 DCADMM C/C=C(\C)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001590346194 1166880001 /nfs/dbraw/zinc/88/00/01/1166880001.db2.gz LJWYEAQHRXKYJX-YCRREMRBSA-N -1 1 314.353 0.684 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590347317 1166880277 /nfs/dbraw/zinc/88/02/77/1166880277.db2.gz OSNYZVAFROVOHU-KSXVILFYSA-N -1 1 314.353 0.318 20 0 DCADMM CCC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590359547 1166881101 /nfs/dbraw/zinc/88/11/01/1166881101.db2.gz BOYQTHOPMDKTKG-UHFFFAOYSA-N -1 1 304.358 0.351 20 0 DCADMM CCC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590359547 1166881109 /nfs/dbraw/zinc/88/11/09/1166881109.db2.gz BOYQTHOPMDKTKG-UHFFFAOYSA-N -1 1 304.358 0.351 20 0 DCADMM C/C=C(\C)C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590354499 1166881649 /nfs/dbraw/zinc/88/16/49/1166881649.db2.gz LPOPABOFECEWLV-WXLQGSQKSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(\C)C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590354499 1166881652 /nfs/dbraw/zinc/88/16/52/1166881652.db2.gz LPOPABOFECEWLV-WXLQGSQKSA-N -1 1 316.369 0.930 20 0 DCADMM CC=CC=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590355523 1166882323 /nfs/dbraw/zinc/88/23/23/1166882323.db2.gz ZUYMRENIPVMSGE-SALQQRKASA-N -1 1 316.369 0.695 20 0 DCADMM CC=CC=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590355523 1166882327 /nfs/dbraw/zinc/88/23/27/1166882327.db2.gz ZUYMRENIPVMSGE-SALQQRKASA-N -1 1 316.369 0.695 20 0 DCADMM CC[C@@H](C)C(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590394326 1166897374 /nfs/dbraw/zinc/89/73/74/1166897374.db2.gz YCKDZEWPWBWIGA-SECBINFHSA-N -1 1 304.358 0.043 20 0 DCADMM CC[C@H](C)C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590393952 1166897390 /nfs/dbraw/zinc/89/73/90/1166897390.db2.gz OARKLNTWAFGASW-VIFPVBQESA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](C)C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590393952 1166897395 /nfs/dbraw/zinc/89/73/95/1166897395.db2.gz OARKLNTWAFGASW-VIFPVBQESA-N -1 1 304.358 0.621 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590400659 1166898141 /nfs/dbraw/zinc/89/81/41/1166898141.db2.gz SCMGAZYBRFFIGT-KWQFWETISA-N -1 1 318.337 0.579 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)OC ZINC001590400659 1166898144 /nfs/dbraw/zinc/89/81/44/1166898144.db2.gz SCMGAZYBRFFIGT-KWQFWETISA-N -1 1 318.337 0.579 20 0 DCADMM CC[C@@H](C)C[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590405878 1166900583 /nfs/dbraw/zinc/90/05/83/1166900583.db2.gz DABJUPGIFCGHBA-MWLCHTKSSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@@H](C)C[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590405878 1166900588 /nfs/dbraw/zinc/90/05/88/1166900588.db2.gz DABJUPGIFCGHBA-MWLCHTKSSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@@H](CSC)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590446707 1166908124 /nfs/dbraw/zinc/90/81/24/1166908124.db2.gz GKBBSAQHHBGEEO-YUMQZZPRSA-N -1 1 310.387 0.277 20 0 DCADMM CC[C@@](COC)(NCc1ccnc(-c2nnn[n-]2)c1)C(=O)OC ZINC001590447993 1166908545 /nfs/dbraw/zinc/90/85/45/1166908545.db2.gz HJAFFKNMQPIJNH-AWEZNQCLSA-N -1 1 320.353 0.320 20 0 DCADMM CC[C@@](COC)(NCc1ccnc(-c2nn[n-]n2)c1)C(=O)OC ZINC001590447993 1166908548 /nfs/dbraw/zinc/90/85/48/1166908548.db2.gz HJAFFKNMQPIJNH-AWEZNQCLSA-N -1 1 320.353 0.320 20 0 DCADMM CC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCO1 ZINC001590454576 1166909389 /nfs/dbraw/zinc/90/93/89/1166909389.db2.gz MYRISFDMDCLMJZ-WCQYABFASA-N -1 1 316.365 0.878 20 0 DCADMM CC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCO1 ZINC001590454576 1166909393 /nfs/dbraw/zinc/90/93/93/1166909393.db2.gz MYRISFDMDCLMJZ-WCQYABFASA-N -1 1 316.365 0.878 20 0 DCADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)[C@H](C)O ZINC001590470019 1166917012 /nfs/dbraw/zinc/91/70/12/1166917012.db2.gz NWJKGNXIWQFCJX-NKWVEPMBSA-N -1 1 317.396 0.366 20 0 DCADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)[C@H](C)O ZINC001590470019 1166917017 /nfs/dbraw/zinc/91/70/17/1166917017.db2.gz NWJKGNXIWQFCJX-NKWVEPMBSA-N -1 1 317.396 0.366 20 0 DCADMM CC[C@]1(C)COCCN1C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590489631 1166921705 /nfs/dbraw/zinc/92/17/05/1166921705.db2.gz CGEJYEQTXMMNIE-NOZJJQNGSA-N -1 1 320.357 0.047 20 0 DCADMM CC[C@@]1(O)CCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001590499985 1166925109 /nfs/dbraw/zinc/92/51/09/1166925109.db2.gz IZZCIPJZOQGMAZ-CQSZACIVSA-N -1 1 318.337 0.263 20 0 DCADMM CC[C@H]1C[C@@H](C)CN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590502871 1166927687 /nfs/dbraw/zinc/92/76/87/1166927687.db2.gz FHRQGRLASSTYCH-ZJUUUORDSA-N -1 1 319.373 0.288 20 0 DCADMM CC[C@@H]1CCC[C@H]1CNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590509513 1166929017 /nfs/dbraw/zinc/92/90/17/1166929017.db2.gz SXAAOWNTWBSNTB-AXFHLTTASA-N -1 1 318.385 0.962 20 0 DCADMM CC[C@@H]1[C@@H](C)CCN1C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590501194 1166929492 /nfs/dbraw/zinc/92/94/92/1166929492.db2.gz XLDPEJXLLZUDHF-IVZWLZJFSA-N -1 1 304.358 0.666 20 0 DCADMM CC[C@@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)C[C@@H](C)[S@@]1=O ZINC001590520937 1166932078 /nfs/dbraw/zinc/93/20/78/1166932078.db2.gz AIBHBGBINSQGPS-TUMIKQJQSA-N -1 1 320.422 0.993 20 0 DCADMM CC[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)C[C@@H](C)[S@@]1=O ZINC001590520937 1166932080 /nfs/dbraw/zinc/93/20/80/1166932080.db2.gz AIBHBGBINSQGPS-TUMIKQJQSA-N -1 1 320.422 0.993 20 0 DCADMM CC[C@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@@H](CC)CO1 ZINC001590524251 1166933458 /nfs/dbraw/zinc/93/34/58/1166933458.db2.gz RAOBQQJIUIWLGP-RYUDHWBXSA-N -1 1 318.381 0.875 20 0 DCADMM CC[C@@H]1CN(c2ncncc2-c2nn[n-]n2)C[C@@H](C)[S@]1=O ZINC001590523719 1166934484 /nfs/dbraw/zinc/93/44/84/1166934484.db2.gz KWDGDOIEEHKWND-VRNWYBPDSA-N -1 1 307.383 0.393 20 0 DCADMM CCCC(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590536668 1166940123 /nfs/dbraw/zinc/94/01/23/1166940123.db2.gz LYJPOTSMXTZXAC-IUCAKERBSA-N -1 1 304.358 0.184 20 0 DCADMM CCCC(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590536665 1166940696 /nfs/dbraw/zinc/94/06/96/1166940696.db2.gz LYJPOTSMXTZXAC-BDAKNGLRSA-N -1 1 304.358 0.184 20 0 DCADMM CCC[C@H](C)CCNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590549297 1166941259 /nfs/dbraw/zinc/94/12/59/1166941259.db2.gz DIQUWUXLDBLWRC-UWVGGRQHSA-N -1 1 306.374 0.962 20 0 DCADMM CCCCCC(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590582761 1166947310 /nfs/dbraw/zinc/94/73/10/1166947310.db2.gz DSUHIASCHZUPHI-UHFFFAOYSA-N -1 1 318.385 0.529 20 0 DCADMM CCCN(CCNC(=O)CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001590625281 1166951383 /nfs/dbraw/zinc/95/13/83/1166951383.db2.gz JYRKYECQVHILDN-UHFFFAOYSA-N -1 1 304.358 0.399 20 0 DCADMM CCCN(CCNC(=O)CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001590625281 1166951389 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COC(=O)[C@@]1(F)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001591242317 1167173022 /nfs/dbraw/zinc/17/30/22/1167173022.db2.gz MRPUSEUMBQKHAT-GFCCVEGCSA-N -1 1 307.289 0.057 20 0 DCADMM COC(=O)[C@@]1(F)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001591242317 1167173027 /nfs/dbraw/zinc/17/30/27/1167173027.db2.gz MRPUSEUMBQKHAT-GFCCVEGCSA-N -1 1 307.289 0.057 20 0 DCADMM COC(=O)C1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001591251527 1167178444 /nfs/dbraw/zinc/17/84/44/1167178444.db2.gz DNQSQEAVENZIIL-UHFFFAOYSA-N -1 1 316.321 0.287 20 0 DCADMM COC(=O)C1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001591251527 1167178449 /nfs/dbraw/zinc/17/84/49/1167178449.db2.gz DNQSQEAVENZIIL-UHFFFAOYSA-N -1 1 316.321 0.287 20 0 DCADMM COC(=O)/C=C/[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591257583 1167181778 /nfs/dbraw/zinc/18/17/78/1167181778.db2.gz SLWMJWYJFYGFMT-ZAXDUSRUSA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)/C=C/[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591257583 1167181784 /nfs/dbraw/zinc/18/17/84/1167181784.db2.gz SLWMJWYJFYGFMT-ZAXDUSRUSA-N -1 1 307.335 0.776 20 0 DCADMM COC(=O)C[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591268076 1167188385 /nfs/dbraw/zinc/18/83/85/1167188385.db2.gz AOMKVORSNDWABX-SSDOTTSWSA-N -1 1 305.298 0.335 20 0 DCADMM COC(=O)C[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591268076 1167188391 /nfs/dbraw/zinc/18/83/91/1167188391.db2.gz AOMKVORSNDWABX-SSDOTTSWSA-N -1 1 305.298 0.335 20 0 DCADMM COC(=O)[C@@H]1OCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC001591281962 1167197638 /nfs/dbraw/zinc/19/76/38/1167197638.db2.gz YRHDDQHHRXHMDB-LDYMZIIASA-N -1 1 304.310 0.252 20 0 DCADMM COC(=O)[C@@H]1OCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC001591281962 1167197647 /nfs/dbraw/zinc/19/76/47/1167197647.db2.gz YRHDDQHHRXHMDB-LDYMZIIASA-N -1 1 304.310 0.252 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001591282332 1167198716 /nfs/dbraw/zinc/19/87/16/1167198716.db2.gz LUPJMBKZKWVGOY-UJVNDKKSSA-N -1 1 301.310 0.410 20 0 DCADMM COC(=O)[C@]12C[C@H]1C[C@H](Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001591282332 1167198720 /nfs/dbraw/zinc/19/87/20/1167198720.db2.gz LUPJMBKZKWVGOY-UJVNDKKSSA-N -1 1 301.310 0.410 20 0 DCADMM COC(=O)c1ccc(N(C)C[C@@H]2CCOC2)c(-c2nnn[n-]2)n1 ZINC001591293759 1167202651 /nfs/dbraw/zinc/20/26/51/1167202651.db2.gz MKSWMUTYGHMWDH-VIFPVBQESA-N -1 1 318.337 0.521 20 0 DCADMM COC(=O)c1ccc(N(C)C[C@@H]2CCOC2)c(-c2nn[n-]n2)n1 ZINC001591293759 1167202656 /nfs/dbraw/zinc/20/26/56/1167202656.db2.gz MKSWMUTYGHMWDH-VIFPVBQESA-N -1 1 318.337 0.521 20 0 DCADMM COC(=O)c1cnoc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001591306485 1167207557 /nfs/dbraw/zinc/20/75/57/1167207557.db2.gz PUTXGNCQSFESAF-UHFFFAOYSA-N -1 1 320.240 0.754 20 0 DCADMM CO[C@](C)(CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001591317055 1167211778 /nfs/dbraw/zinc/21/17/78/1167211778.db2.gz CLWNQDMKIGZBEW-OAHLLOKOSA-N -1 1 316.365 0.736 20 0 DCADMM CO[C@](C)(CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001591317055 1167211780 /nfs/dbraw/zinc/21/17/80/1167211780.db2.gz CLWNQDMKIGZBEW-OAHLLOKOSA-N -1 1 316.365 0.736 20 0 DCADMM CO[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCO1 ZINC001591364065 1167223966 /nfs/dbraw/zinc/22/39/66/1167223966.db2.gz XXLMRBRJAKPJIL-YFKPBYRVSA-N -1 1 302.747 0.786 20 0 DCADMM CO[C@@H]1CC[C@H]1N(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591355116 1167230917 /nfs/dbraw/zinc/23/09/17/1167230917.db2.gz SDKLXBFJEPYUEF-RKDXNWHRSA-N -1 1 323.382 0.642 20 0 DCADMM CO[C@@H]1CC[C@H]1N(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591355116 1167230925 /nfs/dbraw/zinc/23/09/25/1167230925.db2.gz SDKLXBFJEPYUEF-RKDXNWHRSA-N -1 1 323.382 0.642 20 0 DCADMM CO[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC001591359243 1167232752 /nfs/dbraw/zinc/23/27/52/1167232752.db2.gz DKRBXBMMHYVIJM-LLVKDONJSA-N -1 1 313.321 0.619 20 0 DCADMM CO[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC001591359243 1167232758 /nfs/dbraw/zinc/23/27/58/1167232758.db2.gz DKRBXBMMHYVIJM-LLVKDONJSA-N -1 1 313.321 0.619 20 0 DCADMM CO[C@H]1COCC[C@@H]1N(C)c1nc(-c2nnn[n-]2)ccc1C ZINC001591361094 1167236594 /nfs/dbraw/zinc/23/65/94/1167236594.db2.gz JCXOXGFFNSMDRX-RYUDHWBXSA-N -1 1 304.354 0.810 20 0 DCADMM CO[C@H]1COCC[C@@H]1N(C)c1nc(-c2nn[n-]n2)ccc1C ZINC001591361094 1167236599 /nfs/dbraw/zinc/23/65/99/1167236599.db2.gz JCXOXGFFNSMDRX-RYUDHWBXSA-N -1 1 304.354 0.810 20 0 DCADMM COC[C@@]1(C)CN(c2cc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001591385231 1167253847 /nfs/dbraw/zinc/25/38/47/1167253847.db2.gz KNRLEODOIRHKSS-CQSZACIVSA-N -1 1 304.354 0.812 20 0 DCADMM COC[C@@]1(C)CN(c2cc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001591385231 1167253856 /nfs/dbraw/zinc/25/38/56/1167253856.db2.gz KNRLEODOIRHKSS-CQSZACIVSA-N -1 1 304.354 0.812 20 0 DCADMM COCCC1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001591402745 1167269213 /nfs/dbraw/zinc/26/92/13/1167269213.db2.gz OIOSSCIVHNONEC-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM COCCC1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001591402745 1167269217 /nfs/dbraw/zinc/26/92/17/1167269217.db2.gz OIOSSCIVHNONEC-UHFFFAOYSA-N -1 1 302.338 0.951 20 0 DCADMM COCC[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(N)=O ZINC001591399996 1167270195 /nfs/dbraw/zinc/27/01/95/1167270195.db2.gz IRLUBBCURUSBFA-BYPYZUCNSA-N -1 1 317.762 0.279 20 0 DCADMM COCCC[C@H](C)OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591408223 1167271873 /nfs/dbraw/zinc/27/18/73/1167271873.db2.gz XYQKCMWMKYPHDI-DTWKUNHWSA-N -1 1 309.330 0.378 20 0 DCADMM COCCCOC1CN(Cc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591417036 1167274818 /nfs/dbraw/zinc/27/48/18/1167274818.db2.gz XHVGCLWPWVTPDX-UHFFFAOYSA-N -1 1 304.354 0.499 20 0 DCADMM COCCCOC1CN(Cc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591417036 1167274825 /nfs/dbraw/zinc/27/48/25/1167274825.db2.gz XHVGCLWPWVTPDX-UHFFFAOYSA-N -1 1 304.354 0.499 20 0 DCADMM COCCCOCCOC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591417226 1167275360 /nfs/dbraw/zinc/27/53/60/1167275360.db2.gz OQTQUUDUTGVYGZ-UHFFFAOYSA-N -1 1 321.337 0.401 20 0 DCADMM COCCCOCCOC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591417226 1167275366 /nfs/dbraw/zinc/27/53/66/1167275366.db2.gz OQTQUUDUTGVYGZ-UHFFFAOYSA-N -1 1 321.337 0.401 20 0 DCADMM COCCN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccnn1C ZINC001591426477 1167282672 /nfs/dbraw/zinc/28/26/72/1167282672.db2.gz NOAUNYDPCKIAMV-UHFFFAOYSA-N -1 1 317.353 0.842 20 0 DCADMM COCCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccnn1C ZINC001591426477 1167282678 /nfs/dbraw/zinc/28/26/78/1167282678.db2.gz NOAUNYDPCKIAMV-UHFFFAOYSA-N -1 1 317.353 0.842 20 0 DCADMM COCCOC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001591436678 1167286085 /nfs/dbraw/zinc/28/60/85/1167286085.db2.gz PDXPVOHWPQQTGU-JTQLQIEISA-N -1 1 321.337 0.585 20 0 DCADMM COCCOC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001591436678 1167286089 /nfs/dbraw/zinc/28/60/89/1167286089.db2.gz PDXPVOHWPQQTGU-JTQLQIEISA-N -1 1 321.337 0.585 20 0 DCADMM COCCn1cc(CNc2cc(-c3nnn[n-]3)ncn2)cn1 ZINC001591450384 1167288990 /nfs/dbraw/zinc/28/89/90/1167288990.db2.gz LNYDKCCPKAOIRJ-UHFFFAOYSA-N -1 1 301.314 0.112 20 0 DCADMM COCCn1cc(CNc2cc(-c3nn[n-]n3)ncn2)cn1 ZINC001591450384 1167288996 /nfs/dbraw/zinc/28/89/96/1167288996.db2.gz LNYDKCCPKAOIRJ-UHFFFAOYSA-N -1 1 301.314 0.112 20 0 DCADMM COCCOCCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591438926 1167289783 /nfs/dbraw/zinc/28/97/83/1167289783.db2.gz JGRGWEXQKUPXOM-UHFFFAOYSA-N -1 1 307.314 0.046 20 0 DCADMM COCCOCCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591438926 1167289789 /nfs/dbraw/zinc/28/97/89/1167289789.db2.gz JGRGWEXQKUPXOM-UHFFFAOYSA-N -1 1 307.314 0.046 20 0 DCADMM COCOCCCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591452234 1167291142 /nfs/dbraw/zinc/29/11/42/1167291142.db2.gz ZIZMNFHMJVJWJS-UHFFFAOYSA-N -1 1 307.314 0.394 20 0 DCADMM COCOCCCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591452234 1167291148 /nfs/dbraw/zinc/29/11/48/1167291148.db2.gz ZIZMNFHMJVJWJS-UHFFFAOYSA-N -1 1 307.314 0.394 20 0 DCADMM COCn1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001591464815 1167296671 /nfs/dbraw/zinc/29/66/71/1167296671.db2.gz WXQJPRMSMZNTIW-UHFFFAOYSA-N -1 1 320.338 0.054 20 0 DCADMM COCn1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001591464815 1167296677 /nfs/dbraw/zinc/29/66/77/1167296677.db2.gz WXQJPRMSMZNTIW-UHFFFAOYSA-N -1 1 320.338 0.054 20 0 DCADMM CON1CCC(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591467952 1167302744 /nfs/dbraw/zinc/30/27/44/1167302744.db2.gz CQEXMCVDHJMWEG-UHFFFAOYSA-N -1 1 318.341 0.409 20 0 DCADMM CON1CCC(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591467952 1167302749 /nfs/dbraw/zinc/30/27/49/1167302749.db2.gz CQEXMCVDHJMWEG-UHFFFAOYSA-N -1 1 318.341 0.409 20 0 DCADMM CO[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001591473460 1167303359 /nfs/dbraw/zinc/30/33/59/1167303359.db2.gz IYWGIAAEFGBSNU-ZCFIWIBFSA-N -1 1 324.366 0.454 20 0 DCADMM CO[C@H]1C[C@@H](N(C)C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591472765 1167304737 /nfs/dbraw/zinc/30/47/37/1167304737.db2.gz DOAKZOFVDLVSPM-AOOOYVTPSA-N -1 1 303.326 0.903 20 0 DCADMM CO[C@H]1C[C@@H](N(C)C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591472765 1167304745 /nfs/dbraw/zinc/30/47/45/1167304745.db2.gz DOAKZOFVDLVSPM-AOOOYVTPSA-N -1 1 303.326 0.903 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1nccn1C(F)F ZINC001591475361 1167307398 /nfs/dbraw/zinc/30/73/98/1167307398.db2.gz XJCLSCDVDLDQEI-UHFFFAOYSA-N -1 1 323.263 0.677 20 0 DCADMM COc1ncc(NC(=O)N[C@@]2(C)CCOC2)cc1-c1nn[n-]n1 ZINC001591663773 1167342892 /nfs/dbraw/zinc/34/28/92/1167342892.db2.gz DALNTQVHFGTUSL-ZDUSSCGKSA-N -1 1 319.325 0.571 20 0 DCADMM COc1ncc(NC(=O)C2CCC(O)CC2)cc1-c1nn[n-]n1 ZINC001591663978 1167343589 /nfs/dbraw/zinc/34/35/89/1167343589.db2.gz GPXPTAZQPTUEOG-UHFFFAOYSA-N -1 1 318.337 0.760 20 0 DCADMM COc1ncc(NC(=O)COC(F)(F)F)cc1-c1nn[n-]n1 ZINC001591664500 1167343759 /nfs/dbraw/zinc/34/37/59/1167343759.db2.gz KXWJHFPDCKGTER-UHFFFAOYSA-N -1 1 318.215 0.745 20 0 DCADMM COc1nnc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC001591670530 1167346024 /nfs/dbraw/zinc/34/60/24/1167346024.db2.gz UEVAUBVPIBLSJV-UHFFFAOYSA-N -1 1 304.295 0.374 20 0 DCADMM COc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC001591670530 1167346027 /nfs/dbraw/zinc/34/60/27/1167346027.db2.gz UEVAUBVPIBLSJV-UHFFFAOYSA-N -1 1 304.295 0.374 20 0 DCADMM COc1ncccc1C(=O)Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001591668951 1167346622 /nfs/dbraw/zinc/34/66/22/1167346622.db2.gz OLQCUTDZRAAMLL-UHFFFAOYSA-N -1 1 312.289 0.315 20 0 DCADMM COc1nn(C)cc1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001591670001 1167347009 /nfs/dbraw/zinc/34/70/09/1167347009.db2.gz IPYVBJUGMKEAOU-UHFFFAOYSA-N -1 1 321.322 0.422 20 0 DCADMM COc1nn(C)cc1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001591670001 1167347013 /nfs/dbraw/zinc/34/70/13/1167347013.db2.gz IPYVBJUGMKEAOU-UHFFFAOYSA-N -1 1 321.322 0.422 20 0 DCADMM CS[C@H](C)CCC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001591690274 1167352873 /nfs/dbraw/zinc/35/28/73/1167352873.db2.gz WHVRDIDVXXBVPP-MRVPVSSYSA-N -1 1 310.387 0.106 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)[N-]OCC2CC2)cc1-c1nn[nH]n1 ZINC001591705437 1167358467 /nfs/dbraw/zinc/35/84/67/1167358467.db2.gz GPRFYQKEVDSNCI-UHFFFAOYSA-N -1 1 322.350 0.761 20 0 DCADMM C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C(=O)N1CCCC1 ZINC001591769434 1167371867 /nfs/dbraw/zinc/37/18/67/1167371867.db2.gz PYISHWJPAPMYPV-QMMMGPOBSA-N -1 1 320.378 0.669 20 0 DCADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001591779318 1167376193 /nfs/dbraw/zinc/37/61/93/1167376193.db2.gz GAAKNJSVVUVXBE-UHFFFAOYSA-N -1 1 303.257 0.995 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCOCC(F)F)nn1C ZINC001591796725 1167381377 /nfs/dbraw/zinc/38/13/77/1167381377.db2.gz NXQNRHBTUJLBEI-UHFFFAOYSA-N -1 1 315.284 0.519 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCOCC(F)F)nn1C ZINC001591796725 1167381382 /nfs/dbraw/zinc/38/13/82/1167381382.db2.gz NXQNRHBTUJLBEI-UHFFFAOYSA-N -1 1 315.284 0.519 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccn(C(F)F)n2)nn1C ZINC001591797846 1167382864 /nfs/dbraw/zinc/38/28/64/1167382864.db2.gz XSDJJDMPIVFOGV-UHFFFAOYSA-N -1 1 323.267 0.753 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccn(C(F)F)n2)nn1C ZINC001591797846 1167382869 /nfs/dbraw/zinc/38/28/69/1167382869.db2.gz XSDJJDMPIVFOGV-UHFFFAOYSA-N -1 1 323.267 0.753 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](c3nnc[nH]3)C2)n1 ZINC001591887866 1167410704 /nfs/dbraw/zinc/41/07/04/1167410704.db2.gz HNJWSCGSBZXLCV-SECBINFHSA-N -1 1 312.341 0.467 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC001591895106 1167412853 /nfs/dbraw/zinc/41/28/53/1167412853.db2.gz RVWHJHTXQKVILX-SECBINFHSA-N -1 1 314.353 0.388 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC001591895106 1167412859 /nfs/dbraw/zinc/41/28/59/1167412859.db2.gz RVWHJHTXQKVILX-SECBINFHSA-N -1 1 314.353 0.388 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](CCO)C2CCOCC2)n1 ZINC001591891451 1167413009 /nfs/dbraw/zinc/41/30/09/1167413009.db2.gz UYIUKUCYTKHRHJ-LLVKDONJSA-N -1 1 319.369 0.555 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](CCO)C2CCOCC2)n1 ZINC001591891451 1167413013 /nfs/dbraw/zinc/41/30/13/1167413013.db2.gz UYIUKUCYTKHRHJ-LLVKDONJSA-N -1 1 319.369 0.555 20 0 DCADMM Cc1cc(Cn2cnc(-c3nn[n-]n3)cc2=O)cc(Cl)n1 ZINC001591977883 1167427831 /nfs/dbraw/zinc/42/78/31/1167427831.db2.gz NKXKTSBKVBRLDM-UHFFFAOYSA-N -1 1 303.713 0.829 20 0 DCADMM Cc1cc(COCC(=O)Nc2cccc(-c3nnn[n-]3)n2)no1 ZINC001591973174 1167427910 /nfs/dbraw/zinc/42/79/10/1167427910.db2.gz YSSMBDHTQLHJRF-UHFFFAOYSA-N -1 1 315.293 0.713 20 0 DCADMM Cc1cc(COCC(=O)Nc2cccc(-c3nn[n-]n3)n2)no1 ZINC001591973174 1167427913 /nfs/dbraw/zinc/42/79/13/1167427913.db2.gz YSSMBDHTQLHJRF-UHFFFAOYSA-N -1 1 315.293 0.713 20 0 DCADMM Cc1cc(N2CCC3(CCNC3=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001592004623 1167431971 /nfs/dbraw/zinc/43/19/71/1167431971.db2.gz NXRFWXRSEPHICY-UHFFFAOYSA-N -1 1 313.365 0.677 20 0 DCADMM Cc1cc(N2CCC3(CCNC3=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001592004623 1167431974 /nfs/dbraw/zinc/43/19/74/1167431974.db2.gz NXRFWXRSEPHICY-UHFFFAOYSA-N -1 1 313.365 0.677 20 0 DCADMM Cc1cc(N2C[C@H](C)S(=O)[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001591998886 1167432052 /nfs/dbraw/zinc/43/20/52/1167432052.db2.gz JXMAPXWYHREFEW-UWVGGRQHSA-N -1 1 306.395 0.916 20 0 DCADMM Cc1cc(N2C[C@H](C)S(=O)[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001591998886 1167432056 /nfs/dbraw/zinc/43/20/56/1167432056.db2.gz JXMAPXWYHREFEW-UWVGGRQHSA-N -1 1 306.395 0.916 20 0 DCADMM Cc1cc(N[C@H]2CC[C@H](C)S(=O)(=O)C2)nc(-c2nnn[n-]2)c1 ZINC001592036708 1167442304 /nfs/dbraw/zinc/44/23/04/1167442304.db2.gz UWTFYYIRNZZPSN-UWVGGRQHSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1cc(N[C@H]2CC[C@H](C)S(=O)(=O)C2)nc(-c2nn[n-]n2)c1 ZINC001592036708 1167442319 /nfs/dbraw/zinc/44/23/19/1167442319.db2.gz UWTFYYIRNZZPSN-UWVGGRQHSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1cc(NCc2nc(-c3nnn[n-]3)cs2)n2ncnc2n1 ZINC001592053639 1167446482 /nfs/dbraw/zinc/44/64/82/1167446482.db2.gz MUKRRXIWJMNYPB-UHFFFAOYSA-N -1 1 314.338 0.681 20 0 DCADMM Cc1cc(NCc2nc(-c3nn[n-]n3)cs2)n2ncnc2n1 ZINC001592053639 1167446485 /nfs/dbraw/zinc/44/64/85/1167446485.db2.gz MUKRRXIWJMNYPB-UHFFFAOYSA-N -1 1 314.338 0.681 20 0 DCADMM Cc1cc(NCCNC(=O)c2coc(-c3nnn[n-]3)c2)n(C)n1 ZINC001592050312 1167446831 /nfs/dbraw/zinc/44/68/31/1167446831.db2.gz LRKQPJRGGOMLNU-UHFFFAOYSA-N -1 1 316.325 0.344 20 0 DCADMM Cc1cc(NCCNC(=O)c2coc(-c3nn[n-]n3)c2)n(C)n1 ZINC001592050312 1167446834 /nfs/dbraw/zinc/44/68/34/1167446834.db2.gz LRKQPJRGGOMLNU-UHFFFAOYSA-N -1 1 316.325 0.344 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N1CC[C@@H](C)[S@@](=O)CC1 ZINC001592109754 1167458233 /nfs/dbraw/zinc/45/82/33/1167458233.db2.gz AGFHMFYHXKHQBX-UZJPJQLHSA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](C)[S@@](=O)CC1 ZINC001592109754 1167458238 /nfs/dbraw/zinc/45/82/38/1167458238.db2.gz AGFHMFYHXKHQBX-UZJPJQLHSA-N -1 1 306.395 0.917 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H](C)CN1CCCC1=O ZINC001592113478 1167458888 /nfs/dbraw/zinc/45/88/88/1167458888.db2.gz GYDGPAFDCIMQQO-JTQLQIEISA-N -1 1 301.354 0.993 20 0 DCADMM Cc1ccc(C)c(C(=O)Cn2cncc(-c3nn[n-]n3)c2=O)c1 ZINC001592136906 1167462383 /nfs/dbraw/zinc/46/23/83/1167462383.db2.gz JOYBRVKUMBKUFK-UHFFFAOYSA-N -1 1 310.317 0.923 20 0 DCADMM Cc1ccc(N2CCN([S@@](C)(=N)=O)CC2)c(-c2nnn[n-]2)n1 ZINC001592175229 1167468401 /nfs/dbraw/zinc/46/84/01/1167468401.db2.gz ITXKBERUBYJGET-JOCHJYFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1ccc(N2CCN([S@@](C)(=N)=O)CC2)c(-c2nn[n-]n2)n1 ZINC001592175229 1167468405 /nfs/dbraw/zinc/46/84/05/1167468405.db2.gz ITXKBERUBYJGET-JOCHJYFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1ccccc1C[C@H](CO)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592256414 1167477394 /nfs/dbraw/zinc/47/73/94/1167477394.db2.gz MTCCAQFEOVXFJN-GFCCVEGCSA-N -1 1 311.349 0.403 20 0 DCADMM Cc1cccn2cc(CC(=O)Nc3c[nH]nc3-c3nn[n-]n3)nc12 ZINC001592260754 1167481069 /nfs/dbraw/zinc/48/10/69/1167481069.db2.gz HXWAGRYDNXCUHQ-UHFFFAOYSA-N -1 1 323.320 0.727 20 0 DCADMM Cc1ccncc1COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592279325 1167484124 /nfs/dbraw/zinc/48/41/24/1167484124.db2.gz PZUXWDINFQFCHF-VIFPVBQESA-N -1 1 314.309 0.466 20 0 DCADMM Cc1cnn(C)c1C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001592301174 1167487194 /nfs/dbraw/zinc/48/71/94/1167487194.db2.gz BZVXDZCLIIWODI-UHFFFAOYSA-N -1 1 318.366 0.950 20 0 DCADMM Cc1cnn(C)c1C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001592301174 1167487199 /nfs/dbraw/zinc/48/71/99/1167487199.db2.gz BZVXDZCLIIWODI-UHFFFAOYSA-N -1 1 318.366 0.950 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cc(Cl)n(C)n2)c1-c1nn[n-]n1 ZINC001592329916 1167491612 /nfs/dbraw/zinc/49/16/12/1167491612.db2.gz GCIDVOVREKRSSF-UHFFFAOYSA-N -1 1 307.705 0.537 20 0 DCADMM Cc1ccc(CN(CCO)c2cc(-c3nnn[n-]3)nc(C)n2)o1 ZINC001592338174 1167492663 /nfs/dbraw/zinc/49/26/63/1167492663.db2.gz WBXUKSAJDZRZFN-UHFFFAOYSA-N -1 1 315.337 0.865 20 0 DCADMM Cc1ccc(CN(CCO)c2cc(-c3nn[n-]n3)nc(C)n2)o1 ZINC001592338174 1167492667 /nfs/dbraw/zinc/49/26/67/1167492667.db2.gz WBXUKSAJDZRZFN-UHFFFAOYSA-N -1 1 315.337 0.865 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N(C)CCN2CCCC2=O)n1 ZINC001592338566 1167493431 /nfs/dbraw/zinc/49/34/31/1167493431.db2.gz HUECJGIKKFZQRP-UHFFFAOYSA-N -1 1 302.342 0.024 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N(C)CCN2CCCC2=O)n1 ZINC001592338566 1167493434 /nfs/dbraw/zinc/49/34/34/1167493434.db2.gz HUECJGIKKFZQRP-UHFFFAOYSA-N -1 1 302.342 0.024 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC(C3CCOCC3)C2)n1 ZINC001592337777 1167493624 /nfs/dbraw/zinc/49/36/24/1167493624.db2.gz ODNKAIFIOJATDJ-UHFFFAOYSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC(C3CCOCC3)C2)n1 ZINC001592337777 1167493627 /nfs/dbraw/zinc/49/36/27/1167493627.db2.gz ODNKAIFIOJATDJ-UHFFFAOYSA-N -1 1 301.354 0.828 20 0 DCADMM Cc1nc(N[C@H](C)c2nnc3n2CCC3)cc(-c2nnn[n-]2)n1 ZINC001592380272 1167509335 /nfs/dbraw/zinc/50/93/35/1167509335.db2.gz ICPVFSHRZXGMQO-SSDOTTSWSA-N -1 1 312.341 0.676 20 0 DCADMM Cc1nc(N[C@H](C)c2nnc3n2CCC3)cc(-c2nn[n-]n2)n1 ZINC001592380272 1167509343 /nfs/dbraw/zinc/50/93/43/1167509343.db2.gz ICPVFSHRZXGMQO-SSDOTTSWSA-N -1 1 312.341 0.676 20 0 DCADMM Cc1nc(NCC2([S@@](C)=O)CCC2)cc(-c2nnn[n-]2)n1 ZINC001592388795 1167511879 /nfs/dbraw/zinc/51/18/79/1167511879.db2.gz ZYIFOXQHXQYFKJ-OAQYLSRUSA-N -1 1 307.383 0.678 20 0 DCADMM Cc1nc(NCC2([S@@](C)=O)CCC2)cc(-c2nn[n-]n2)n1 ZINC001592388795 1167511884 /nfs/dbraw/zinc/51/18/84/1167511884.db2.gz ZYIFOXQHXQYFKJ-OAQYLSRUSA-N -1 1 307.383 0.678 20 0 DCADMM Cc1nccnc1NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001592419904 1167518241 /nfs/dbraw/zinc/51/82/41/1167518241.db2.gz CYTBTBOJRWUDHD-UHFFFAOYSA-N -1 1 300.330 0.315 20 0 DCADMM Cc1nccnc1NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001592419904 1167518244 /nfs/dbraw/zinc/51/82/44/1167518244.db2.gz CYTBTBOJRWUDHD-UHFFFAOYSA-N -1 1 300.330 0.315 20 0 DCADMM Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592427830 1167519421 /nfs/dbraw/zinc/51/94/21/1167519421.db2.gz UBKXXTJGRFLGGQ-MRVPVSSYSA-N -1 1 313.369 0.472 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ccc(F)nc2)c1-c1nnn[n-]1 ZINC001592432958 1167520707 /nfs/dbraw/zinc/52/07/07/1167520707.db2.gz NAJHHLDOMIPNIL-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1nn(C)c(NC(=O)c2ccc(F)nc2)c1-c1nn[n-]n1 ZINC001592432958 1167520709 /nfs/dbraw/zinc/52/07/09/1167520709.db2.gz NAJHHLDOMIPNIL-UHFFFAOYSA-N -1 1 302.273 0.695 20 0 DCADMM Cc1nn(C)c(C)c1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592428944 1167521114 /nfs/dbraw/zinc/52/11/14/1167521114.db2.gz PADXEKWWJNESBW-UHFFFAOYSA-N -1 1 318.366 0.604 20 0 DCADMM Cc1nn(C)c(C)c1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592428944 1167521120 /nfs/dbraw/zinc/52/11/20/1167521120.db2.gz PADXEKWWJNESBW-UHFFFAOYSA-N -1 1 318.366 0.604 20 0 DCADMM Cc1nn(CC(=O)C2(Cl)CC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592435755 1167522942 /nfs/dbraw/zinc/52/29/42/1167522942.db2.gz BDBYNPXOUNMKPP-UHFFFAOYSA-N -1 1 308.729 0.381 20 0 DCADMM Cc1nsc(N2C[C@](C)(CO)[C@](C)(CO)C2)c1-c1nn[n-]n1 ZINC001592477343 1167533658 /nfs/dbraw/zinc/53/36/58/1167533658.db2.gz VWTHRVKUCSLCJJ-BETUJISGSA-N -1 1 324.410 0.449 20 0 DCADMM Cc1nsc(NC(=O)NCC(=O)NC2CC2)c1-c1nnn[n-]1 ZINC001592481004 1167535379 /nfs/dbraw/zinc/53/53/79/1167535379.db2.gz BUCKVGQGQSDIQK-UHFFFAOYSA-N -1 1 322.354 0.032 20 0 DCADMM Cc1nsc(NC(=O)NCC(=O)NC2CC2)c1-c1nn[n-]n1 ZINC001592481004 1167535383 /nfs/dbraw/zinc/53/53/83/1167535383.db2.gz BUCKVGQGQSDIQK-UHFFFAOYSA-N -1 1 322.354 0.032 20 0 DCADMM Cc1nsc(NCCNC(=O)CC2CC2)c1-c1nn[n-]n1 ZINC001592490358 1167537612 /nfs/dbraw/zinc/53/76/12/1167537612.db2.gz BFBNXROBGSCAPO-UHFFFAOYSA-N -1 1 307.383 0.960 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC001592501447 1167540511 /nfs/dbraw/zinc/54/05/11/1167540511.db2.gz RYDRUZBYCKEKOO-UHFFFAOYSA-N -1 1 301.266 0.447 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC001592501447 1167540515 /nfs/dbraw/zinc/54/05/15/1167540515.db2.gz RYDRUZBYCKEKOO-UHFFFAOYSA-N -1 1 301.266 0.447 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N=c1nc[nH]n1C(C)C ZINC001592501980 1167541139 /nfs/dbraw/zinc/54/11/39/1167541139.db2.gz OTYOTBMHDHMRQM-UHFFFAOYSA-N -1 1 302.298 0.615 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N=c1nc[nH]n1C(C)C ZINC001592501980 1167541148 /nfs/dbraw/zinc/54/11/48/1167541148.db2.gz OTYOTBMHDHMRQM-UHFFFAOYSA-N -1 1 302.298 0.615 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001592503086 1167541993 /nfs/dbraw/zinc/54/19/93/1167541993.db2.gz RCGBGPUMLJTRIZ-PTRXPTGYSA-N -1 1 319.321 0.302 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001592503086 1167542002 /nfs/dbraw/zinc/54/20/02/1167542002.db2.gz RCGBGPUMLJTRIZ-PTRXPTGYSA-N -1 1 319.321 0.302 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](C)[C@@H](CO)C2)c1-c1nnn[n-]1 ZINC001592515301 1167543913 /nfs/dbraw/zinc/54/39/13/1167543913.db2.gz CLPVRNMQLYMKGW-PSASIEDQSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](C)[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC001592515301 1167543917 /nfs/dbraw/zinc/54/39/17/1167543917.db2.gz CLPVRNMQLYMKGW-PSASIEDQSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N(C)[C@H](C)C(C)(C)O)c1-c1nnn[n-]1 ZINC001592515145 1167544509 /nfs/dbraw/zinc/54/45/09/1167544509.db2.gz KBVUWZJTQBCWEE-MRVPVSSYSA-N -1 1 308.342 0.323 20 0 DCADMM Cc1onc(CC(=O)N(C)[C@H](C)C(C)(C)O)c1-c1nn[n-]n1 ZINC001592515145 1167544515 /nfs/dbraw/zinc/54/45/15/1167544515.db2.gz KBVUWZJTQBCWEE-MRVPVSSYSA-N -1 1 308.342 0.323 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC[C@H]1CNC(=O)C1 ZINC001592503512 1167545141 /nfs/dbraw/zinc/54/51/41/1167545141.db2.gz JQXYJPPLEVTYKM-MRVPVSSYSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC[C@H]1CNC(=O)C1 ZINC001592503512 1167545148 /nfs/dbraw/zinc/54/51/48/1167545148.db2.gz JQXYJPPLEVTYKM-MRVPVSSYSA-N -1 1 305.294 0.451 20 0 DCADMM Cc1onc(CC(=O)N2CCCC(=O)[C@@H]2C)c1-c1nnn[n-]1 ZINC001592516025 1167546526 /nfs/dbraw/zinc/54/65/26/1167546526.db2.gz PVYXBCVNCMFCHM-ZETCQYMHSA-N -1 1 304.310 0.286 20 0 DCADMM Cc1onc(CC(=O)N2CCCC(=O)[C@@H]2C)c1-c1nn[n-]n1 ZINC001592516025 1167546529 /nfs/dbraw/zinc/54/65/29/1167546529.db2.gz PVYXBCVNCMFCHM-ZETCQYMHSA-N -1 1 304.310 0.286 20 0 DCADMM Clc1ccc(N2C[C@@H]3COC[C@H](C2)O3)nc1-c1nnn[n-]1 ZINC001592531688 1167549295 /nfs/dbraw/zinc/54/92/95/1167549295.db2.gz RLLAGXPEAGOQRH-OCAPTIKFSA-N -1 1 308.729 0.519 20 0 DCADMM Clc1ccc(N2C[C@@H]3COC[C@H](C2)O3)nc1-c1nn[n-]n1 ZINC001592531688 1167549302 /nfs/dbraw/zinc/54/93/02/1167549302.db2.gz RLLAGXPEAGOQRH-OCAPTIKFSA-N -1 1 308.729 0.519 20 0 DCADMM Clc1sc(N2CCC3(C2)OCCO3)nc1-c1nn[n-]n1 ZINC001592541498 1167549548 /nfs/dbraw/zinc/54/95/48/1167549548.db2.gz AJAOOAVYDOKSSJ-UHFFFAOYSA-N -1 1 314.758 0.930 20 0 DCADMM Cn1c(=O)[nH]c(N2CCC[C@@H]3CCC[C@@H]32)c(-c2nn[n-]n2)c1=O ZINC001592542916 1167551305 /nfs/dbraw/zinc/55/13/05/1167551305.db2.gz CNVFWNBOFSQWKF-IUCAKERBSA-N -1 1 317.353 0.023 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCC(C)(C)C2CC2)c1=O ZINC001592557655 1167557629 /nfs/dbraw/zinc/55/76/29/1167557629.db2.gz AOORFPOQJXSBLE-UHFFFAOYSA-N -1 1 304.354 0.553 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ncc3n2CCCC3)n1 ZINC001592559915 1167560896 /nfs/dbraw/zinc/56/08/96/1167560896.db2.gz IGUPTIMWCCGWAS-UHFFFAOYSA-N -1 1 313.325 0.385 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ncc3n2CCCC3)n1 ZINC001592559915 1167560901 /nfs/dbraw/zinc/56/09/01/1167560901.db2.gz IGUPTIMWCCGWAS-UHFFFAOYSA-N -1 1 313.325 0.385 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3ccnc(-c4nnn[n-]4)c3)C2)nn1 ZINC001592569549 1167565771 /nfs/dbraw/zinc/56/57/71/1167565771.db2.gz GQBPJVFRXHPUMA-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cc([C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)c3)C2)nn1 ZINC001592569549 1167565772 /nfs/dbraw/zinc/56/57/72/1167565772.db2.gz GQBPJVFRXHPUMA-SNVBAGLBSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1cc(CCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cn1 ZINC001592573346 1167566396 /nfs/dbraw/zinc/56/63/96/1167566396.db2.gz GVSYJFWODLKDLE-UHFFFAOYSA-N -1 1 311.353 0.922 20 0 DCADMM Cn1cc(CCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cn1 ZINC001592573346 1167566400 /nfs/dbraw/zinc/56/64/00/1167566400.db2.gz GVSYJFWODLKDLE-UHFFFAOYSA-N -1 1 311.353 0.922 20 0 DCADMM Cn1ccc(CCNC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001592578793 1167568414 /nfs/dbraw/zinc/56/84/14/1167568414.db2.gz FBZFTDLESQZKCH-UHFFFAOYSA-N -1 1 303.351 0.634 20 0 DCADMM Cn1ccc(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592578678 1167568497 /nfs/dbraw/zinc/56/84/97/1167568497.db2.gz ANAAYKPMRJTWNH-UHFFFAOYSA-N -1 1 313.321 0.671 20 0 DCADMM Cn1ccc(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592578678 1167568500 /nfs/dbraw/zinc/56/85/00/1167568500.db2.gz ANAAYKPMRJTWNH-UHFFFAOYSA-N -1 1 313.321 0.671 20 0 DCADMM Cn1ccc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001592578592 1167568834 /nfs/dbraw/zinc/56/88/34/1167568834.db2.gz ACXQYUMFJQHPQZ-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ccc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001592578592 1167568841 /nfs/dbraw/zinc/56/88/41/1167568841.db2.gz ACXQYUMFJQHPQZ-UHFFFAOYSA-N -1 1 311.353 0.774 20 0 DCADMM Cn1ccnc1CCCOC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592585903 1167571382 /nfs/dbraw/zinc/57/13/82/1167571382.db2.gz KNGJADQTYIELHV-UHFFFAOYSA-N -1 1 302.294 0.983 20 0 DCADMM Cn1ccnc1CCCOC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592585903 1167571389 /nfs/dbraw/zinc/57/13/89/1167571389.db2.gz KNGJADQTYIELHV-UHFFFAOYSA-N -1 1 302.294 0.983 20 0 DCADMM Cn1cnc2c1nccc2C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592588827 1167573186 /nfs/dbraw/zinc/57/31/86/1167573186.db2.gz KDKPOUYLTODKIX-UHFFFAOYSA-N -1 1 310.281 0.124 20 0 DCADMM FC(F)CN1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592624618 1167587105 /nfs/dbraw/zinc/58/71/05/1167587105.db2.gz NCDDLZFSGUHHPL-MRVPVSSYSA-N -1 1 310.312 0.798 20 0 DCADMM FC(F)CN1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592624618 1167587108 /nfs/dbraw/zinc/58/71/08/1167587108.db2.gz NCDDLZFSGUHHPL-MRVPVSSYSA-N -1 1 310.312 0.798 20 0 DCADMM FC(F)CN1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001592624942 1167587721 /nfs/dbraw/zinc/58/77/21/1167587721.db2.gz PZNSCSVOFBTWFI-UHFFFAOYSA-N -1 1 315.353 0.706 20 0 DCADMM FC(F)CN1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001592624942 1167587719 /nfs/dbraw/zinc/58/77/19/1167587719.db2.gz PZNSCSVOFBTWFI-UHFFFAOYSA-N -1 1 315.353 0.706 20 0 DCADMM NC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001592729804 1167617982 /nfs/dbraw/zinc/61/79/82/1167617982.db2.gz PXASGLYQDULPNV-ZETCQYMHSA-N -1 1 321.366 0.059 20 0 DCADMM NC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001592729804 1167617985 /nfs/dbraw/zinc/61/79/85/1167617985.db2.gz PXASGLYQDULPNV-ZETCQYMHSA-N -1 1 321.366 0.059 20 0 DCADMM NC(=O)C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001592731016 1167618341 /nfs/dbraw/zinc/61/83/41/1167618341.db2.gz ZGPPQDXBSZPKQJ-JTQLQIEISA-N -1 1 310.321 0.685 20 0 DCADMM NC(=O)C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001592731016 1167618345 /nfs/dbraw/zinc/61/83/45/1167618345.db2.gz ZGPPQDXBSZPKQJ-JTQLQIEISA-N -1 1 310.321 0.685 20 0 DCADMM NC(=O)[C@@H]1Cc2ccccc2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001592735386 1167620722 /nfs/dbraw/zinc/62/07/22/1167620722.db2.gz PTXSVUKAAOHYDR-LBPRGKRZSA-N -1 1 322.332 0.073 20 0 DCADMM NC(=O)[C@@H]1Cc2ccccc2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001592735386 1167620725 /nfs/dbraw/zinc/62/07/25/1167620725.db2.gz PTXSVUKAAOHYDR-LBPRGKRZSA-N -1 1 322.332 0.073 20 0 DCADMM NC(=O)c1c[nH]c(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)c1 ZINC001592734662 1167620934 /nfs/dbraw/zinc/62/09/34/1167620934.db2.gz NIBJBUXOPYRUDQ-UHFFFAOYSA-N -1 1 312.249 0.604 20 0 DCADMM NC(=O)[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001592735022 1167621671 /nfs/dbraw/zinc/62/16/71/1167621671.db2.gz GALSWYVKLZAMLE-OCAPTIKFSA-N -1 1 300.326 0.210 20 0 DCADMM NC(=O)[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001592735022 1167621675 /nfs/dbraw/zinc/62/16/75/1167621675.db2.gz GALSWYVKLZAMLE-OCAPTIKFSA-N -1 1 300.326 0.210 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1noc2c1CCCC2 ZINC001592753013 1167631208 /nfs/dbraw/zinc/63/12/08/1167631208.db2.gz MUKDJNUOLMLYIA-UHFFFAOYSA-N -1 1 300.282 0.201 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CC12CCSCC2 ZINC001592753482 1167631243 /nfs/dbraw/zinc/63/12/43/1167631243.db2.gz AKPFOMXMMMPTOI-QMMMGPOBSA-N -1 1 305.367 0.819 20 0 DCADMM O=C([C@@H]1C[C@H]1F)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592775099 1167642167 /nfs/dbraw/zinc/64/21/67/1167642167.db2.gz VJARAPWHNAQDGC-RKDXNWHRSA-N -1 1 322.369 0.935 20 0 DCADMM O=C(CCn1cnc(-c2nn[n-]n2)n1)Nc1cccc(F)c1 ZINC001592861169 1167652310 /nfs/dbraw/zinc/65/23/10/1167652310.db2.gz DJHVXQRBDQGDFN-UHFFFAOYSA-N -1 1 302.273 0.626 20 0 DCADMM O=C(COC(F)(F)F)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592885390 1167657346 /nfs/dbraw/zinc/65/73/46/1167657346.db2.gz FVHXEESBSCTCCS-UHFFFAOYSA-N -1 1 308.245 0.476 20 0 DCADMM O=C(COC(F)(F)F)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592885390 1167657349 /nfs/dbraw/zinc/65/73/49/1167657349.db2.gz FVHXEESBSCTCCS-UHFFFAOYSA-N -1 1 308.245 0.476 20 0 DCADMM O=C(COc1ccccc1F)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592899422 1167661460 /nfs/dbraw/zinc/66/14/60/1167661460.db2.gz HLAGGJMHYMIHST-UHFFFAOYSA-N -1 1 303.257 0.746 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC[C@H](O)C1CC1 ZINC001592913986 1167662934 /nfs/dbraw/zinc/66/29/34/1167662934.db2.gz LWSWJYRIGNATPR-LBPRGKRZSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC[C@H](O)C1CC1 ZINC001592913986 1167662939 /nfs/dbraw/zinc/66/29/39/1167662939.db2.gz LWSWJYRIGNATPR-LBPRGKRZSA-N -1 1 302.338 0.081 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1CCO ZINC001592913705 1167663694 /nfs/dbraw/zinc/66/36/94/1167663694.db2.gz OHDRRFLMIIHNSQ-LLVKDONJSA-N -1 1 302.338 0.178 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1CCO ZINC001592913705 1167663695 /nfs/dbraw/zinc/66/36/95/1167663695.db2.gz OHDRRFLMIIHNSQ-LLVKDONJSA-N -1 1 302.338 0.178 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](n2cccn2)C1 ZINC001592913352 1167663829 /nfs/dbraw/zinc/66/38/29/1167663829.db2.gz CYTINARWOKFLBJ-GFCCVEGCSA-N -1 1 324.348 0.474 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](n2cccn2)C1 ZINC001592913352 1167663832 /nfs/dbraw/zinc/66/38/32/1167663832.db2.gz CYTINARWOKFLBJ-GFCCVEGCSA-N -1 1 324.348 0.474 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC001592915537 1167665606 /nfs/dbraw/zinc/66/56/06/1167665606.db2.gz PLPMMLDPQHPOQI-WCQYABFASA-N -1 1 314.349 0.488 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC001592915537 1167665609 /nfs/dbraw/zinc/66/56/09/1167665609.db2.gz PLPMMLDPQHPOQI-WCQYABFASA-N -1 1 314.349 0.488 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H](CCF)C1 ZINC001592940548 1167670398 /nfs/dbraw/zinc/67/03/98/1167670398.db2.gz MYSMLMMXWSTZOJ-VIFPVBQESA-N -1 1 308.321 0.056 20 0 DCADMM O=C(NC1(c2ncon2)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001592962271 1167673815 /nfs/dbraw/zinc/67/38/15/1167673815.db2.gz FJOCOPWSNGBTAL-UHFFFAOYSA-N -1 1 312.293 0.454 20 0 DCADMM O=C(NC1(c2ncon2)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592962271 1167673819 /nfs/dbraw/zinc/67/38/19/1167673819.db2.gz FJOCOPWSNGBTAL-UHFFFAOYSA-N -1 1 312.293 0.454 20 0 DCADMM O=C(N[C@H](CO)CC(F)(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001592954190 1167674168 /nfs/dbraw/zinc/67/41/68/1167674168.db2.gz XHVUTHWXGSKLHX-YFKPBYRVSA-N -1 1 305.216 0.503 20 0 DCADMM O=C(N[C@H](CO)CC(F)(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001592954190 1167674173 /nfs/dbraw/zinc/67/41/73/1167674173.db2.gz XHVUTHWXGSKLHX-YFKPBYRVSA-N -1 1 305.216 0.503 20 0 DCADMM O=C(N[C@H](CO)C1CC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592954081 1167674812 /nfs/dbraw/zinc/67/48/12/1167674812.db2.gz VDUOBIMTAPSBKP-LLVKDONJSA-N -1 1 312.333 0.849 20 0 DCADMM O=C(N[C@H]1CCCN(CCF)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592978325 1167679576 /nfs/dbraw/zinc/67/95/76/1167679576.db2.gz CMLPHWMTBXAMQF-JTQLQIEISA-N -1 1 308.317 0.623 20 0 DCADMM O=C(N[C@H]1CCCN(CCF)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592978325 1167679578 /nfs/dbraw/zinc/67/95/78/1167679578.db2.gz CMLPHWMTBXAMQF-JTQLQIEISA-N -1 1 308.317 0.623 20 0 DCADMM O=C(N[C@H]1CCn2cncc2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592997077 1167680851 /nfs/dbraw/zinc/68/08/51/1167680851.db2.gz QOVMEOGYOSFBRM-JTQLQIEISA-N -1 1 310.321 0.203 20 0 DCADMM O=C(NC[C@@H](O)[C@@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001593012381 1167686100 /nfs/dbraw/zinc/68/61/00/1167686100.db2.gz BIYNKHXVZQUGID-BDAKNGLRSA-N -1 1 309.351 0.198 20 0 DCADMM O=C(NCC1(CCO)CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593015495 1167688242 /nfs/dbraw/zinc/68/82/42/1167688242.db2.gz BYZIZKVRYPWQLG-UHFFFAOYSA-N -1 1 303.326 0.546 20 0 DCADMM O=C(NCC1(CCO)CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593015495 1167688246 /nfs/dbraw/zinc/68/82/46/1167688246.db2.gz BYZIZKVRYPWQLG-UHFFFAOYSA-N -1 1 303.326 0.546 20 0 DCADMM O=C(NC[C@H]1COCO1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593047044 1167692940 /nfs/dbraw/zinc/69/29/40/1167692940.db2.gz UEFHZOLKJZVEFC-ZETCQYMHSA-N -1 1 311.248 0.248 20 0 DCADMM O=C(NC[C@H]1COCO1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593047044 1167692945 /nfs/dbraw/zinc/69/29/45/1167692945.db2.gz UEFHZOLKJZVEFC-ZETCQYMHSA-N -1 1 311.248 0.248 20 0 DCADMM O=C(NCCCN1CCOC1=O)c1ccsc1-c1nnn[n-]1 ZINC001593070550 1167698135 /nfs/dbraw/zinc/69/81/35/1167698135.db2.gz IACMXRAGYQGCLP-UHFFFAOYSA-N -1 1 322.350 0.500 20 0 DCADMM O=C(NCCCN1CCOC1=O)c1ccsc1-c1nn[n-]n1 ZINC001593070550 1167698141 /nfs/dbraw/zinc/69/81/41/1167698141.db2.gz IACMXRAGYQGCLP-UHFFFAOYSA-N -1 1 322.350 0.500 20 0 DCADMM O=C(NCCCNc1ccc(-c2nnn[n-]2)nn1)c1ccoc1 ZINC001593076771 1167700150 /nfs/dbraw/zinc/70/01/50/1167700150.db2.gz YZSAILYECSWYBR-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCCNc1ccc(-c2nn[n-]n2)nn1)c1ccoc1 ZINC001593076771 1167700159 /nfs/dbraw/zinc/70/01/59/1167700159.db2.gz YZSAILYECSWYBR-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)C1(CCF)CC1 ZINC001593089470 1167703794 /nfs/dbraw/zinc/70/37/94/1167703794.db2.gz FVFDLZGNZQCJCF-UHFFFAOYSA-N -1 1 320.332 0.325 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)C1(CCF)CC1 ZINC001593089470 1167703803 /nfs/dbraw/zinc/70/38/03/1167703803.db2.gz FVFDLZGNZQCJCF-UHFFFAOYSA-N -1 1 320.332 0.325 20 0 DCADMM O=C(NCCNc1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001593091161 1167707424 /nfs/dbraw/zinc/70/74/24/1167707424.db2.gz WFMQLZAFWQVMRP-UHFFFAOYSA-N -1 1 316.350 0.560 20 0 DCADMM O=C(NCCNc1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001593091161 1167707428 /nfs/dbraw/zinc/70/74/28/1167707428.db2.gz WFMQLZAFWQVMRP-UHFFFAOYSA-N -1 1 316.350 0.560 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)C1CCC=CCC1 ZINC001593108627 1167711755 /nfs/dbraw/zinc/71/17/55/1167711755.db2.gz AUENOSRWMSXCME-UHFFFAOYSA-N -1 1 302.342 0.321 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@H]1CCC[C@@H]1O ZINC001593151242 1167726261 /nfs/dbraw/zinc/72/62/61/1167726261.db2.gz SHZRMIUMGRRUDU-XPUUQOCRSA-N -1 1 309.355 0.036 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@H]1CCC[C@@H]1O ZINC001593151242 1167726270 /nfs/dbraw/zinc/72/62/70/1167726270.db2.gz SHZRMIUMGRRUDU-XPUUQOCRSA-N -1 1 309.355 0.036 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H]1CC12CC(O)C2 ZINC001593151205 1167727054 /nfs/dbraw/zinc/72/70/54/1167727054.db2.gz REAWAXOVIISPLM-BCIJWEBZSA-N -1 1 321.366 0.036 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H]1CC12CC(O)C2 ZINC001593151205 1167727059 /nfs/dbraw/zinc/72/70/59/1167727059.db2.gz REAWAXOVIISPLM-BCIJWEBZSA-N -1 1 321.366 0.036 20 0 DCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001593186961 1167732648 /nfs/dbraw/zinc/73/26/48/1167732648.db2.gz LGZRUSBEXBRZLL-DTORHVGOSA-N -1 1 300.326 0.126 20 0 DCADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001593186961 1167732654 /nfs/dbraw/zinc/73/26/54/1167732654.db2.gz LGZRUSBEXBRZLL-DTORHVGOSA-N -1 1 300.326 0.126 20 0 DCADMM O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593180793 1167732970 /nfs/dbraw/zinc/73/29/70/1167732970.db2.gz ORXDQRSJNQYPER-JLLWLGSASA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593180793 1167732977 /nfs/dbraw/zinc/73/29/77/1167732977.db2.gz ORXDQRSJNQYPER-JLLWLGSASA-N -1 1 300.322 0.559 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCO[C@@H](CCF)C1 ZINC001593243560 1167742844 /nfs/dbraw/zinc/74/28/44/1167742844.db2.gz GRCRHXCDRRWMMK-VIFPVBQESA-N -1 1 321.316 0.854 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCO[C@@H](CCF)C1 ZINC001593243560 1167742850 /nfs/dbraw/zinc/74/28/50/1167742850.db2.gz GRCRHXCDRRWMMK-VIFPVBQESA-N -1 1 321.316 0.854 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cn2c(n1)COCC2 ZINC001593245244 1167743251 /nfs/dbraw/zinc/74/32/51/1167743251.db2.gz GTUJTMPZZAGBKG-UHFFFAOYSA-N -1 1 312.293 0.241 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cn2c(n1)COCC2 ZINC001593245244 1167743257 /nfs/dbraw/zinc/74/32/57/1167743257.db2.gz GTUJTMPZZAGBKG-UHFFFAOYSA-N -1 1 312.293 0.241 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCOC[C@@H]1C1CC1 ZINC001593244429 1167744862 /nfs/dbraw/zinc/74/48/62/1167744862.db2.gz QXWJRKZBXWYQNC-LLVKDONJSA-N -1 1 315.337 0.904 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCOC[C@@H]1C1CC1 ZINC001593244429 1167744872 /nfs/dbraw/zinc/74/48/72/1167744872.db2.gz QXWJRKZBXWYQNC-LLVKDONJSA-N -1 1 315.337 0.904 20 0 DCADMM O=C(Nc1nc2n(n1)CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593266211 1167748932 /nfs/dbraw/zinc/74/89/32/1167748932.db2.gz HXVSVCXDKVSACB-UHFFFAOYSA-N -1 1 311.309 0.442 20 0 DCADMM O=C(Nc1nc2n(n1)CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593266211 1167748938 /nfs/dbraw/zinc/74/89/38/1167748938.db2.gz HXVSVCXDKVSACB-UHFFFAOYSA-N -1 1 311.309 0.442 20 0 DCADMM O=C(O[C@@H]1CCN(C2CC2)C1=O)c1sccc1-c1nn[n-]n1 ZINC001593280673 1167754544 /nfs/dbraw/zinc/75/45/44/1167754544.db2.gz NAJJYPWUSZSFCI-SECBINFHSA-N -1 1 319.346 0.848 20 0 DCADMM O=C(OC[C@H]1C[C@]12CCOC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593284333 1167758173 /nfs/dbraw/zinc/75/81/73/1167758173.db2.gz IKSWGHBARWXOOI-YGRLFVJLSA-N -1 1 301.306 0.845 20 0 DCADMM O=C(OC[C@H]1C[C@]12CCOC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593284333 1167758177 /nfs/dbraw/zinc/75/81/77/1167758177.db2.gz IKSWGHBARWXOOI-YGRLFVJLSA-N -1 1 301.306 0.845 20 0 DCADMM O=C(OCCO[C@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593290050 1167762430 /nfs/dbraw/zinc/76/24/30/1167762430.db2.gz DLJJMPKTPJZEDY-VIFPVBQESA-N -1 1 311.248 0.843 20 0 DCADMM O=C(OCCO[C@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593290050 1167762440 /nfs/dbraw/zinc/76/24/40/1167762440.db2.gz DLJJMPKTPJZEDY-VIFPVBQESA-N -1 1 311.248 0.843 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC(F)(F)C[C@@H]1CO ZINC001593337000 1167778046 /nfs/dbraw/zinc/77/80/46/1167778046.db2.gz KGXLFHJEVYDDGS-MRVPVSSYSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC(F)(F)C[C@@H]1CO ZINC001593337000 1167778054 /nfs/dbraw/zinc/77/80/54/1167778054.db2.gz KGXLFHJEVYDDGS-MRVPVSSYSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1cnncc1[O-])N1CCc2cc(-c3nn[nH]n3)ccc21 ZINC001593369613 1167788465 /nfs/dbraw/zinc/78/84/65/1167788465.db2.gz YAZMCJLEODAUOE-UHFFFAOYSA-N -1 1 309.289 0.565 20 0 DCADMM O=C1C[C@H]([C@@H]2CCCCN2c2cc(-c3nnn[n-]3)ncn2)CN1 ZINC001593383523 1167795460 /nfs/dbraw/zinc/79/54/60/1167795460.db2.gz XOXQUVQYMYHYMM-ONGXEEELSA-N -1 1 314.353 0.152 20 0 DCADMM O=C1C[C@H]([C@@H]2CCCCN2c2cc(-c3nn[n-]n3)ncn2)CN1 ZINC001593383523 1167795469 /nfs/dbraw/zinc/79/54/69/1167795469.db2.gz XOXQUVQYMYHYMM-ONGXEEELSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCNC(=O)CC1 ZINC001593387493 1167799164 /nfs/dbraw/zinc/79/91/64/1167799164.db2.gz KFGJHTUWFNVWML-MRVPVSSYSA-N -1 1 321.362 0.888 20 0 DCADMM O=S(=O)(NCc1cocn1)c1ccc(-c2nnn[n-]2)s1 ZINC001593443762 1167840632 /nfs/dbraw/zinc/84/06/32/1167840632.db2.gz UIYVXTLVLWQYPH-UHFFFAOYSA-N -1 1 312.336 0.395 20 0 DCADMM O=S(=O)(NCc1cocn1)c1ccc(-c2nn[n-]n2)s1 ZINC001593443762 1167840645 /nfs/dbraw/zinc/84/06/45/1167840645.db2.gz UIYVXTLVLWQYPH-UHFFFAOYSA-N -1 1 312.336 0.395 20 0 DCADMM O=S(=O)(NC[C@H]1CCCO1)c1ccsc1-c1nn[n-]n1 ZINC001593443196 1167841802 /nfs/dbraw/zinc/84/18/02/1167841802.db2.gz PQCVXMKONWGSIG-SSDOTTSWSA-N -1 1 315.380 0.386 20 0 DCADMM O=S1(=O)CCCC[C@H]1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001593464128 1167854030 /nfs/dbraw/zinc/85/40/30/1167854030.db2.gz YLECLXVETGOOOD-JTQLQIEISA-N -1 1 308.367 0.063 20 0 DCADMM O=S1(=O)CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001593464128 1167854033 /nfs/dbraw/zinc/85/40/33/1167854033.db2.gz YLECLXVETGOOOD-JTQLQIEISA-N -1 1 308.367 0.063 20 0 DCADMM O=c1c(-c2nnn[n-]2)cccn1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC001593492344 1167874783 /nfs/dbraw/zinc/87/47/83/1167874783.db2.gz HOPAKXJKWGMJDL-MNOVXSKESA-N -1 1 318.406 0.671 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1ccc(C(F)(F)F)cn1 ZINC001593495673 1167880947 /nfs/dbraw/zinc/88/09/47/1167880947.db2.gz PJGAWGUIPGJGTL-UHFFFAOYSA-N -1 1 323.238 0.886 20 0 DCADMM O=c1cc(C2CC2)ncn1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593495868 1167881016 /nfs/dbraw/zinc/88/10/16/1167881016.db2.gz ZQXUGSUSFSNQBI-UHFFFAOYSA-N -1 1 301.335 0.806 20 0 DCADMM O=c1cc(C2CC2)ncn1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593495868 1167881025 /nfs/dbraw/zinc/88/10/25/1167881025.db2.gz ZQXUGSUSFSNQBI-UHFFFAOYSA-N -1 1 301.335 0.806 20 0 DCADMM O[C@H](Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)c(F)c1 ZINC001593512822 1167892031 /nfs/dbraw/zinc/89/20/31/1167892031.db2.gz YPZZZWSIHXMJBY-SECBINFHSA-N -1 1 309.692 0.984 20 0 DCADMM O[C@@H]1CCC[C@@H]1[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001593518993 1167892742 /nfs/dbraw/zinc/89/27/42/1167892742.db2.gz HZKUNXZXJGVITE-YUSALJHKSA-N -1 1 301.354 0.787 20 0 DCADMM O[C@@H]1CCC[C@@H]1[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001593518993 1167892747 /nfs/dbraw/zinc/89/27/47/1167892747.db2.gz HZKUNXZXJGVITE-YUSALJHKSA-N -1 1 301.354 0.787 20 0 DCADMM OC[C@@H](Cc1cncs1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593521504 1167895125 /nfs/dbraw/zinc/89/51/25/1167895125.db2.gz VGUQVAGHJKXHGN-SECBINFHSA-N -1 1 303.351 0.156 20 0 DCADMM OC[C@@H](Cc1cncs1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593521504 1167895131 /nfs/dbraw/zinc/89/51/31/1167895131.db2.gz VGUQVAGHJKXHGN-SECBINFHSA-N -1 1 303.351 0.156 20 0 DCADMM OC[C@H](CC(F)F)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593522025 1167898886 /nfs/dbraw/zinc/89/88/86/1167898886.db2.gz PINQPXPTFGQJQK-ZETCQYMHSA-N -1 1 311.296 0.962 20 0 DCADMM OC[C@H](CC(F)F)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593522025 1167898893 /nfs/dbraw/zinc/89/88/93/1167898893.db2.gz PINQPXPTFGQJQK-ZETCQYMHSA-N -1 1 311.296 0.962 20 0 DCADMM OC[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001593528266 1167902982 /nfs/dbraw/zinc/90/29/82/1167902982.db2.gz LGICGQMTTZBCOJ-CBAPKCEASA-N -1 1 310.745 0.095 20 0 DCADMM OC[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001593528266 1167902992 /nfs/dbraw/zinc/90/29/92/1167902992.db2.gz LGICGQMTTZBCOJ-CBAPKCEASA-N -1 1 310.745 0.095 20 0 DCADMM Oc1ccccc1-c1nc(Cn2cnc(-c3nn[n-]n3)n2)no1 ZINC001593539694 1167920689 /nfs/dbraw/zinc/92/06/89/1167920689.db2.gz DDVUVLKTWSTVHF-UHFFFAOYSA-N -1 1 311.265 0.262 20 0 DCADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1C[C@@H]2COC[C@H](C1)O2 ZINC001593544154 1167927120 /nfs/dbraw/zinc/92/71/20/1167927120.db2.gz WQDNGLYFYJCGMW-AOOOYVTPSA-N -1 1 315.337 0.138 20 0 DCADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1C[C@@H]2COC[C@H](C1)O2 ZINC001593544154 1167927143 /nfs/dbraw/zinc/92/71/43/1167927143.db2.gz WQDNGLYFYJCGMW-AOOOYVTPSA-N -1 1 315.337 0.138 20 0 DCADMM c1cc(CNc2ccnc(-c3nn[n-]n3)n2)c2c(c1)OCCO2 ZINC001593557148 1167934449 /nfs/dbraw/zinc/93/44/49/1167934449.db2.gz LHGBINHTBCQGSE-UHFFFAOYSA-N -1 1 311.305 0.462 20 0 DCADMM c1cc(N[C@H](C2CCC2)[C@H]2CCOC2)nc(-c2nn[n-]n2)n1 ZINC001593558136 1167938782 /nfs/dbraw/zinc/93/87/82/1167938782.db2.gz JWBGFOCKFSVUCP-CMPLNLGQSA-N -1 1 301.354 0.696 20 0 DCADMM c1cn(C[C@@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)nn1 ZINC001593583271 1167948439 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COC[C@H](NC(=O)C=Cc1ccc2c(c1)OCO2)c1nn[n-]n1 ZINC001595889472 1167981363 /nfs/dbraw/zinc/98/13/63/1167981363.db2.gz PZFJVKUNTZJBMA-GFAPAMAISA-N -1 1 317.305 0.446 20 0 DCADMM O=C(c1nnc2ccccc2n1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001595948663 1167984629 /nfs/dbraw/zinc/98/46/29/1167984629.db2.gz SGZLYIHXJQOHAW-SNVBAGLBSA-N -1 1 324.348 0.633 20 0 DCADMM Cc1cc(C[C@H](C)NC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n[nH]1 ZINC001600188289 1168133725 /nfs/dbraw/zinc/13/37/25/1168133725.db2.gz DIGNJFOLSXHVAY-XRNSZHNASA-N -1 1 310.354 0.533 20 0 DCADMM Cc1cccc(C[C@H](CNC(=O)Cc2nnc[nH]2)C(=O)[O-])c1 ZINC001600526429 1168195265 /nfs/dbraw/zinc/19/52/65/1168195265.db2.gz DJDZXZCQJGXCCF-GFCCVEGCSA-N -1 1 302.334 0.715 20 0 DCADMM Cc1ccnc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001600599916 1168208571 /nfs/dbraw/zinc/20/85/71/1168208571.db2.gz KNVGIMHPGMEABQ-OAHLLOKOSA-N -1 1 306.366 0.146 20 0 DCADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600668225 1168238147 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WBMFTVJUZXKWIL-SCSAIBSYSA-N -1 1 304.100 0.538 20 0 DCADMM COCCO[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001605107367 1169824452 /nfs/dbraw/zinc/82/44/52/1169824452.db2.gz FEMGNLCIDMWMFB-SECBINFHSA-N -1 1 307.310 0.337 20 0 DCADMM COCCO[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001605107367 1169824467 /nfs/dbraw/zinc/82/44/67/1169824467.db2.gz FEMGNLCIDMWMFB-SECBINFHSA-N -1 1 307.310 0.337 20 0 DCADMM COCc1nc(COc2cnc(-c3nn[n-]n3)nc2)cs1 ZINC001605137221 1169839459 /nfs/dbraw/zinc/83/94/59/1169839459.db2.gz WOFYLZFTGQEFRL-UHFFFAOYSA-N -1 1 305.323 0.839 20 0 DCADMM CON(CC1CCOCC1)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605142346 1169844935 /nfs/dbraw/zinc/84/49/35/1169844935.db2.gz NVFNSUPISVOVTF-UHFFFAOYSA-N -1 1 305.342 0.760 20 0 DCADMM CON(CC1CCOCC1)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605142346 1169844945 /nfs/dbraw/zinc/84/49/45/1169844945.db2.gz NVFNSUPISVOVTF-UHFFFAOYSA-N -1 1 305.342 0.760 20 0 DCADMM CON(CC1CCOCC1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605142351 1169845459 /nfs/dbraw/zinc/84/54/59/1169845459.db2.gz OAXFJIUAHRHLJX-UHFFFAOYSA-N -1 1 318.337 0.692 20 0 DCADMM CON(CC1CCOCC1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605142351 1169845471 /nfs/dbraw/zinc/84/54/71/1169845471.db2.gz OAXFJIUAHRHLJX-UHFFFAOYSA-N -1 1 318.337 0.692 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1CCOCC(F)(F)F ZINC001605153695 1169850705 /nfs/dbraw/zinc/85/07/05/1169850705.db2.gz JUXFTZDSJYMLJO-UHFFFAOYSA-N -1 1 319.243 0.616 20 0 DCADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)nn1C ZINC001605231880 1169879404 /nfs/dbraw/zinc/87/94/04/1169879404.db2.gz PMYJDHNMPVVGNG-UHFFFAOYSA-N -1 1 305.323 0.923 20 0 DCADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)nn1C ZINC001605231880 1169879409 /nfs/dbraw/zinc/87/94/09/1169879409.db2.gz PMYJDHNMPVVGNG-UHFFFAOYSA-N -1 1 305.323 0.923 20 0 DCADMM COc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1F ZINC001605321816 1169893295 /nfs/dbraw/zinc/89/32/95/1169893295.db2.gz LVQGNYFDEPRCMF-UHFFFAOYSA-N -1 1 318.272 0.245 20 0 DCADMM COc1ncc(NC(=O)N[C@@H]2COC[C@H]2C)cc1-c1nn[n-]n1 ZINC001605346670 1169898346 /nfs/dbraw/zinc/89/83/46/1169898346.db2.gz GQFZEWGRORQKSO-GMSGAONNSA-N -1 1 319.325 0.427 20 0 DCADMM CSc1[nH]c(=O)c(C(=O)N2C[C@@H]3C[C@@H]3C2)cc1-c1nn[n-]n1 ZINC001605380706 1169908549 /nfs/dbraw/zinc/90/85/49/1169908549.db2.gz NIOHMBMGSFRNAI-KNVOCYPGSA-N -1 1 318.362 0.781 20 0 DCADMM CCCn1nccc1NC(=O)CN[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001605390829 1169909727 /nfs/dbraw/zinc/90/97/27/1169909727.db2.gz MWTYWZXIAGGJTR-NWDGAFQWSA-N -1 1 324.381 0.844 20 0 DCADMM CC[NH2+]CCC[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001605498353 1169940318 /nfs/dbraw/zinc/94/03/18/1169940318.db2.gz PNIHQNOVQNHGCE-UHFFFAOYSA-N -1 1 322.333 0.941 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N=[S@@](C)(=O)C(C)C ZINC001605506796 1169941592 /nfs/dbraw/zinc/94/15/92/1169941592.db2.gz QQGBDSWEPPBZPI-QFIPXVFZSA-N -1 1 324.366 0.922 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC2CC1(C)C2 ZINC001605506545 1169942171 /nfs/dbraw/zinc/94/21/71/1169942171.db2.gz DFUIYVBODRLQNA-UHFFFAOYSA-N -1 1 300.322 0.900 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NOCCC1CC1 ZINC001605509164 1169943684 /nfs/dbraw/zinc/94/36/84/1169943684.db2.gz BSPYYCIDYYTAHE-UHFFFAOYSA-N -1 1 304.310 0.737 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2ccc(C(N)=O)cc2)n1 ZINC001605556068 1169959172 /nfs/dbraw/zinc/95/91/72/1169959172.db2.gz QUFMGFOKHFBEGY-UHFFFAOYSA-N -1 1 324.348 0.700 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2ccc(C(N)=O)cc2)n1 ZINC001605556068 1169959174 /nfs/dbraw/zinc/95/91/74/1169959174.db2.gz QUFMGFOKHFBEGY-UHFFFAOYSA-N -1 1 324.348 0.700 20 0 DCADMM CCOC[C@@H](C(=O)[O-])N(C)C[C@H](O)CC1(O)CCCCC1 ZINC001605623549 1169975298 /nfs/dbraw/zinc/97/52/98/1169975298.db2.gz DKPCIGHWYCQMCU-OLZOCXBDSA-N -1 1 303.399 0.854 20 0 DCADMM CCOc1cc(C(=O)NC[C@@H]2CCN2C)ccc1OCC(=O)[O-] ZINC001605658844 1169982939 /nfs/dbraw/zinc/98/29/39/1169982939.db2.gz GBZJLKKSBWQBIS-LBPRGKRZSA-N -1 1 322.361 0.983 20 0 DCADMM Cc1cc(N[C@@H](C)C(=O)NC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001605722096 1169992571 /nfs/dbraw/zinc/99/25/71/1169992571.db2.gz YCLSACUHCVMLEE-VIFPVBQESA-N -1 1 303.370 0.707 20 0 DCADMM Cc1cc(N[C@@H](C)C(=O)NC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001605722096 1169992577 /nfs/dbraw/zinc/99/25/77/1169992577.db2.gz YCLSACUHCVMLEE-VIFPVBQESA-N -1 1 303.370 0.707 20 0 DCADMM Cc1cc(N[C@@H]2CCCC(F)(F)[C@H]2O)cc(-c2nnn[n-]2)n1 ZINC001605739006 1169996665 /nfs/dbraw/zinc/99/66/65/1169996665.db2.gz FZUCXFAOIBJIHA-KOLCDFICSA-N -1 1 310.308 0.953 20 0 DCADMM Cc1cc(N[C@@H]2CCCC(F)(F)[C@H]2O)cc(-c2nn[n-]n2)n1 ZINC001605739006 1169996671 /nfs/dbraw/zinc/99/66/71/1169996671.db2.gz FZUCXFAOIBJIHA-KOLCDFICSA-N -1 1 310.308 0.953 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1N[C@@H]1CCCS(=O)(=O)C1 ZINC001605803533 1170005112 /nfs/dbraw/zinc/00/51/12/1170005112.db2.gz BDGVLLQKPFZYHQ-SECBINFHSA-N -1 1 308.367 0.559 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1CCCS(=O)(=O)C1 ZINC001605803533 1170005115 /nfs/dbraw/zinc/00/51/15/1170005115.db2.gz BDGVLLQKPFZYHQ-SECBINFHSA-N -1 1 308.367 0.559 20 0 DCADMM CCc1nc([C@@H](C)NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)n[nH]1 ZINC001605846182 1170012103 /nfs/dbraw/zinc/01/21/03/1170012103.db2.gz YSKKLYDSXQSNHX-LHGDVCQASA-N -1 1 307.354 0.981 20 0 DCADMM CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)C[C@H](C)CC(=O)[O-])n[nH]1 ZINC001605857312 1170014715 /nfs/dbraw/zinc/01/47/15/1170014715.db2.gz HMVKMXNAABEMFB-AEJSXWLSSA-N -1 1 310.354 0.502 20 0 DCADMM Cc1ccc(N2C[C@@H](C)O[C@]3(CCOC3)C2)c(-c2nnn[n-]2)n1 ZINC001605864434 1170016870 /nfs/dbraw/zinc/01/68/70/1170016870.db2.gz DBYUOYSEPMMXCP-IAQYHMDHSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2C[C@@H](C)O[C@]3(CCOC3)C2)c(-c2nn[n-]n2)n1 ZINC001605864434 1170016873 /nfs/dbraw/zinc/01/68/73/1170016873.db2.gz DBYUOYSEPMMXCP-IAQYHMDHSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1ccc(N2CC[S@](=O)C[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605868126 1170017735 /nfs/dbraw/zinc/01/77/35/1170017735.db2.gz ZCINDRNQGQRYFL-BTKVJGODSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1ccc(N2CC[S@](=O)C[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605868126 1170017736 /nfs/dbraw/zinc/01/77/36/1170017736.db2.gz ZCINDRNQGQRYFL-BTKVJGODSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)nn2)c(F)c1 ZINC001605869494 1170018562 /nfs/dbraw/zinc/01/85/62/1170018562.db2.gz CGWWKSYDASPEQS-UHFFFAOYSA-N -1 1 302.273 0.544 20 0 DCADMM Cc1cccc2nc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)cn21 ZINC001605929779 1170029158 /nfs/dbraw/zinc/02/91/58/1170029158.db2.gz QVDIPDGWSAXBCT-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1cccc2nc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)cn21 ZINC001605929779 1170029165 /nfs/dbraw/zinc/02/91/65/1170029165.db2.gz QVDIPDGWSAXBCT-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1ccccc1Cn1c(=O)c(-c2nn[n-]n2)c(C)n(C)c1=O ZINC001605942527 1170030278 /nfs/dbraw/zinc/03/02/78/1170030278.db2.gz VQLSGLYXGPQWJC-UHFFFAOYSA-N -1 1 312.333 0.392 20 0 DCADMM Cc1ccoc1C(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001605964479 1170038703 /nfs/dbraw/zinc/03/87/03/1170038703.db2.gz URUXBFFEUVDTBW-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1ccoc1C(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001605964479 1170038706 /nfs/dbraw/zinc/03/87/06/1170038706.db2.gz URUXBFFEUVDTBW-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM CN(C)C(=O)OCCN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606002778 1170045298 /nfs/dbraw/zinc/04/52/98/1170045298.db2.gz PEJMEHBAVRQFFM-JTQLQIEISA-N -1 1 311.342 0.311 20 0 DCADMM CN(C)C(=O)N[C@@H]1CCCN([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC001606002098 1170045755 /nfs/dbraw/zinc/04/57/55/1170045755.db2.gz QGQHKHLNDKZWDA-CHWSQXEVSA-N -1 1 306.366 0.943 20 0 DCADMM CN(C)C(=O)c1cccc(CN2CCC(O)(C(=O)[O-])CC2)c1 ZINC001606007726 1170046496 /nfs/dbraw/zinc/04/64/96/1170046496.db2.gz SEODJCKYOLOUAW-UHFFFAOYSA-N -1 1 306.362 0.800 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2CSCCS2)c1-c1nn[n-]n1 ZINC001606013732 1170048376 /nfs/dbraw/zinc/04/83/76/1170048376.db2.gz WVMIGPIPZLMCFN-LURJTMIESA-N -1 1 311.396 0.685 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1-c1nn[n-]n1 ZINC001606013892 1170049328 /nfs/dbraw/zinc/04/93/28/1170049328.db2.gz YZRCPBPFFAVXBL-RNJXMRFFSA-N -1 1 301.310 0.452 20 0 DCADMM Cc1noc([C@H](C)N(C)c2cc(-c3nnn[n-]3)nc(C)n2)n1 ZINC001606019510 1170053317 /nfs/dbraw/zinc/05/33/17/1170053317.db2.gz GMHSPMFTWFRLTL-LURJTMIESA-N -1 1 301.314 0.854 20 0 DCADMM Cc1noc([C@H](C)N(C)c2cc(-c3nn[n-]n3)nc(C)n2)n1 ZINC001606019510 1170053324 /nfs/dbraw/zinc/05/33/24/1170053324.db2.gz GMHSPMFTWFRLTL-LURJTMIESA-N -1 1 301.314 0.854 20 0 DCADMM CN(C)C[C@@H]1CCCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001606022684 1170054777 /nfs/dbraw/zinc/05/47/77/1170054777.db2.gz MSQSMTLOFISFDK-NSHDSACASA-N -1 1 304.412 0.597 20 0 DCADMM CN(C)c1ccccc1CN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001606061808 1170068423 /nfs/dbraw/zinc/06/84/23/1170068423.db2.gz ABKVSLHPSIYVLH-CQSZACIVSA-N -1 1 305.378 0.918 20 0 DCADMM CN(CC(=O)Nc1ccccc1C(N)=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606085238 1170072929 /nfs/dbraw/zinc/07/29/29/1170072929.db2.gz OGVAONUHMRXHHI-AOOOYVTPSA-N -1 1 305.334 0.519 20 0 DCADMM Cc1nccnc1N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001606098809 1170076249 /nfs/dbraw/zinc/07/62/49/1170076249.db2.gz KWNWFKWMJAWBCF-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nccnc1N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001606098809 1170076255 /nfs/dbraw/zinc/07/62/55/1170076255.db2.gz KWNWFKWMJAWBCF-UHFFFAOYSA-N -1 1 324.352 0.082 20 0 DCADMM Cc1nn(CC(=O)N[C@@H](C)C(C)C)c(=O)c(-c2nn[n-]n2)c1C ZINC001606115378 1170081985 /nfs/dbraw/zinc/08/19/85/1170081985.db2.gz YLQPZNPXCVHATJ-VIFPVBQESA-N -1 1 319.369 0.201 20 0 DCADMM Cc1nn(CC(=O)c2ccn(C)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114619 1170082046 /nfs/dbraw/zinc/08/20/46/1170082046.db2.gz ZCCGEYGDHBSCBL-UHFFFAOYSA-N -1 1 313.321 0.262 20 0 DCADMM Cc1nn(Cn2cc(Cl)cn2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606116127 1170082078 /nfs/dbraw/zinc/08/20/78/1170082078.db2.gz ONOVNGMAQYHEBX-UHFFFAOYSA-N -1 1 306.717 0.396 20 0 DCADMM Cc1noc(CN(C)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)n1 ZINC001606133273 1170089878 /nfs/dbraw/zinc/08/98/78/1170089878.db2.gz 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DCADMM CCn1c(-c2nnn[n-]2)nnc1N1CC2(C[C@@H]1C)CCOCC2 ZINC001772184314 1190624593 /nfs/dbraw/zinc/62/45/93/1190624593.db2.gz QCZKMEOYTWAQIS-JTQLQIEISA-N -1 1 318.385 0.874 20 0 DCADMM CCn1c(-c2nn[n-]n2)nnc1N1CC2(C[C@@H]1C)CCOCC2 ZINC001772184314 1190624594 /nfs/dbraw/zinc/62/45/94/1190624594.db2.gz QCZKMEOYTWAQIS-JTQLQIEISA-N -1 1 318.385 0.874 20 0 DCADMM Cn1cnc(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)c1Cl ZINC000691219844 751494891 /nfs/dbraw/zinc/49/48/91/751494891.db2.gz ODUOZNZQSMZULV-ZCFIWIBFSA-N -1 1 315.729 0.776 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)C2CN(C[C@@H]3CCCOC3)C2)c1[O-] ZINC001042619894 751786599 /nfs/dbraw/zinc/78/65/99/751786599.db2.gz QKNNPTKYOZVNDF-NSHDSACASA-N -1 1 308.382 0.607 20 0 DCADMM Cc1[nH]nc(C(=O)N(C)C2CN(C[C@H]3C[C@@]34CCOC4)C2)c1[O-] ZINC001042620087 751786725 /nfs/dbraw/zinc/78/67/25/751786725.db2.gz UPBFRYFDVNNUPG-BDJLRTHQSA-N -1 1 320.393 0.607 20 0 DCADMM C[C@@H](C(=O)NC1CC1)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001042645888 751804553 /nfs/dbraw/zinc/80/45/53/751804553.db2.gz FVELLKPKQKCPNT-JTQLQIEISA-N -1 1 318.377 0.211 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001104495303 747509321 /nfs/dbraw/zinc/50/93/21/747509321.db2.gz CHJGAMLYAWBFQU-DDHJBXDOSA-N -1 1 307.398 0.741 20 0 DCADMM Cn1c(CNCCNC(=O)c2ncccc2[O-])nnc1C1CC1 ZINC001126118851 748226784 /nfs/dbraw/zinc/22/67/84/748226784.db2.gz JYBFRFJDDTZALU-UHFFFAOYSA-N -1 1 316.365 0.313 20 0 DCADMM O=C(NC[C@@H](O)CNc1cccc(F)n1)c1ncccc1[O-] ZINC001105803357 750487688 /nfs/dbraw/zinc/48/76/88/750487688.db2.gz YJEZPWGQUYFCKL-VIFPVBQESA-N -1 1 306.297 0.524 20 0 DCADMM CC[C@H](F)CN1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC001089007076 750762381 /nfs/dbraw/zinc/76/23/81/750762381.db2.gz NQJVNUYGEMVYML-UTLUCORTSA-N -1 1 315.349 0.016 20 0 DCADMM Cc1c[nH]cc1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001089036581 750772207 /nfs/dbraw/zinc/77/22/07/750772207.db2.gz OCKCMPHBPAJRRE-PWSUYJOCSA-N -1 1 318.381 0.138 20 0 DCADMM C[C@H]1CCC[C@H](C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)C1 ZINC001043700240 752355403 /nfs/dbraw/zinc/35/54/03/752355403.db2.gz QSKCMXBOAJJIBL-RYUDHWBXSA-N -1 1 321.425 0.577 20 0 DCADMM COCCN1CCO[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001107890192 752489086 /nfs/dbraw/zinc/48/90/86/752489086.db2.gz JUMDHHRJQPVFTL-HNNXBMFYSA-N -1 1 309.366 0.254 20 0 DCADMM CN(C(=O)c1c[n-]n2c1nccc2=O)C1CN(CC2CC2)C1 ZINC001044019630 752519850 /nfs/dbraw/zinc/51/98/50/752519850.db2.gz ZZYYWQWRVFZUMU-UHFFFAOYSA-N -1 1 301.350 0.189 20 0 DCADMM CCOC1CC(CC(=O)NCC[C@H](C)NC(=O)c2cnn[nH]2)C1 ZINC001077945185 752895183 /nfs/dbraw/zinc/89/51/83/752895183.db2.gz CUEHSXBENPRNMP-UNXYVOJBSA-N -1 1 323.397 0.635 20 0 DCADMM Cc1cnc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)cn1 ZINC001044907552 752925394 /nfs/dbraw/zinc/92/53/94/752925394.db2.gz XOUBAOISAJYDKF-JTQLQIEISA-N -1 1 317.353 0.003 20 0 DCADMM Cc1cc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)on1 ZINC001044921674 752934874 /nfs/dbraw/zinc/93/48/74/752934874.db2.gz HIAYKGTWKQTYOR-VIFPVBQESA-N -1 1 306.326 0.201 20 0 DCADMM O=C([C@@H]1CCCCO1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001044996869 752984667 /nfs/dbraw/zinc/98/46/67/752984667.db2.gz LSQUMUHNCQFQNT-QWRGUYRKSA-N -1 1 309.370 0.160 20 0 DCADMM O=C(c1ncccc1[O-])N1CCC[C@H]1CNCc1ncccn1 ZINC001045008482 752991464 /nfs/dbraw/zinc/99/14/64/752991464.db2.gz FWOYQICMKIBJBJ-LBPRGKRZSA-N -1 1 313.361 0.972 20 0 DCADMM Cc1cc[nH]c1C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045017587 752999247 /nfs/dbraw/zinc/99/92/47/752999247.db2.gz HJUOGAXLUUNNDM-JTQLQIEISA-N -1 1 304.354 0.541 20 0 DCADMM C[C@@H](CCNC(=O)c1cnoc1C1CC1)NC(=O)c1cnn[nH]1 ZINC001078175476 753081778 /nfs/dbraw/zinc/08/17/78/753081778.db2.gz XDGAIQIAFLAHPE-QMMMGPOBSA-N -1 1 318.337 0.609 20 0 DCADMM Cc1nc(C)c(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)[nH]1 ZINC001045205786 753091872 /nfs/dbraw/zinc/09/18/72/753091872.db2.gz XVXMPIFHLUUQIQ-JTQLQIEISA-N -1 1 319.369 0.245 20 0 DCADMM C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)O1 ZINC001045211552 753094396 /nfs/dbraw/zinc/09/43/96/753094396.db2.gz UJLVSKIMGVAIHF-OUAUKWLOSA-N -1 1 309.370 0.158 20 0 DCADMM CNC(=O)[C@H](C)N1CCC(C)(NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001045408469 753181730 /nfs/dbraw/zinc/18/17/30/753181730.db2.gz JHOHGCLRMXAUIK-JTQLQIEISA-N -1 1 323.397 0.143 20 0 DCADMM O=C(CCC1CC1)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078360543 753202969 /nfs/dbraw/zinc/20/29/69/753202969.db2.gz XJBZAASMGQWAHC-GFCCVEGCSA-N -1 1 323.397 0.408 20 0 DCADMM O=C(N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2)c1cnco1 ZINC001078693206 753346660 /nfs/dbraw/zinc/34/66/60/753346660.db2.gz NIZVSEIJKSCIQR-ZJUUUORDSA-N -1 1 318.337 0.329 20 0 DCADMM Cn1cnnc1CN1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001046262159 753598485 /nfs/dbraw/zinc/59/84/85/753598485.db2.gz LSSDFFHSPCSRGM-HNNXBMFYSA-N -1 1 316.365 0.310 20 0 DCADMM Cn1ccc(CN2CC[C@@](C)(NC(=O)c3ncccc3[O-])C2)n1 ZINC001046262358 753599618 /nfs/dbraw/zinc/59/96/18/753599618.db2.gz PPCYDNRHQLPMMK-MRXNPFEDSA-N -1 1 315.377 0.915 20 0 DCADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CC(C)(C)O ZINC001071952867 762252778 /nfs/dbraw/zinc/25/27/78/762252778.db2.gz RRMLWMLCDFNGSZ-GHMZBOCLSA-N -1 1 321.377 0.525 20 0 DCADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)CC(C)(C)O ZINC001071952869 762253194 /nfs/dbraw/zinc/25/31/94/762253194.db2.gz RRMLWMLCDFNGSZ-QWRGUYRKSA-N -1 1 321.377 0.525 20 0 DCADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2)C(F)F ZINC001047001682 754062000 /nfs/dbraw/zinc/06/20/00/754062000.db2.gz TXWWYFKYHVAJLZ-RNJXMRFFSA-N -1 1 301.297 0.245 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]3[C@H]2CCCN3C(=O)C2CC2)nc1=O ZINC001049265544 755210938 /nfs/dbraw/zinc/21/09/38/755210938.db2.gz FJJKJBOPSRHLOC-NEPJUHHUSA-N -1 1 305.382 0.084 20 0 DCADMM O=C(c1ccn[nH]1)N1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC001049340796 755227170 /nfs/dbraw/zinc/22/71/70/755227170.db2.gz KHDSJEWBNVFNSW-QWRGUYRKSA-N -1 1 317.353 0.113 20 0 DCADMM CNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncccc1[O-] ZINC001049434780 755261462 /nfs/dbraw/zinc/26/14/62/755261462.db2.gz RVZOVZWKVDFQJU-RYUDHWBXSA-N -1 1 318.377 0.212 20 0 DCADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1cc(F)ncn1 ZINC001113574755 762401297 /nfs/dbraw/zinc/40/12/97/762401297.db2.gz FBWAXTWTRGYUPT-VIFPVBQESA-N -1 1 305.313 0.971 20 0 DCADMM CC[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001096991084 755569065 /nfs/dbraw/zinc/56/90/65/755569065.db2.gz IDDMNZWIBPCVDB-WYUUTHIRSA-N -1 1 318.377 0.386 20 0 DCADMM O=C(NC[C@H]1CN(C(=O)c2ncccc2[O-])CCO1)C(F)F ZINC001065074125 755670935 /nfs/dbraw/zinc/67/09/35/755670935.db2.gz TUVIPLJFMKFPFP-QMMMGPOBSA-N -1 1 315.276 0.010 20 0 DCADMM CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079362344 755785347 /nfs/dbraw/zinc/78/53/47/755785347.db2.gz PBEKKJYCNHVXEF-NSHDSACASA-N -1 1 321.377 0.885 20 0 DCADMM C[C@@H]1CN(Cc2cnns2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079611233 755924154 /nfs/dbraw/zinc/92/41/54/755924154.db2.gz URZPGJYZIWJSGD-MWLCHTKSSA-N -1 1 319.390 0.889 20 0 DCADMM CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC001079652639 755945311 /nfs/dbraw/zinc/94/53/11/755945311.db2.gz AZQNPHUFMMKVIO-NSHDSACASA-N -1 1 321.377 0.885 20 0 DCADMM COCCN1CC2(C1)CC[C@@H](CNC(=O)c1ncccc1[O-])O2 ZINC001053594281 756110170 /nfs/dbraw/zinc/11/01/70/756110170.db2.gz ILHKDJYOAYTXPP-LBPRGKRZSA-N -1 1 321.377 0.397 20 0 DCADMM CCCCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001081269855 756519034 /nfs/dbraw/zinc/51/90/34/756519034.db2.gz FHXXRVBKNBGSDO-AAEUAGOBSA-N -1 1 321.377 0.527 20 0 DCADMM Cc1cccnc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001054533173 756531684 /nfs/dbraw/zinc/53/16/84/756531684.db2.gz KRDHUMAPHNMKCL-QWRGUYRKSA-N -1 1 316.365 0.464 20 0 DCADMM Cc1ccc(CC(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H](C)C2)o1 ZINC001054581717 756549283 /nfs/dbraw/zinc/54/92/83/756549283.db2.gz PVJJBBNKKLJWJD-CABZTGNLSA-N -1 1 319.365 0.591 20 0 DCADMM CC(C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)=C1CCC1 ZINC001054635634 756587742 /nfs/dbraw/zinc/58/77/42/756587742.db2.gz IBCZHXJGAXNALU-BXKDBHETSA-N -1 1 305.382 0.947 20 0 DCADMM Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC001054802804 756644198 /nfs/dbraw/zinc/64/41/98/756644198.db2.gz UBBLURDMPJKNSL-GXSJLCMTSA-N -1 1 318.381 0.706 20 0 DCADMM CCc1ccc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H](C)C2)o1 ZINC001054813400 756645701 /nfs/dbraw/zinc/64/57/01/756645701.db2.gz WBNGRCWTAGROIF-ONGXEEELSA-N -1 1 319.365 0.916 20 0 DCADMM CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001081759681 756795224 /nfs/dbraw/zinc/79/52/24/756795224.db2.gz DUAZTAVXPBBFEI-ZYHUDNBSSA-N -1 1 321.377 0.382 20 0 DCADMM Cn1nc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1C=O ZINC001157660059 762500524 /nfs/dbraw/zinc/50/05/24/762500524.db2.gz JUYIBYNVXKIZDC-UHFFFAOYSA-N -1 1 305.294 0.341 20 0 DCADMM CC[C@H](SC)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001082477682 757150942 /nfs/dbraw/zinc/15/09/42/757150942.db2.gz UORZFWDPXVDNSL-BBBLOLIVSA-N -1 1 313.427 0.588 20 0 DCADMM CO[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)C(C)C ZINC001082721240 757243926 /nfs/dbraw/zinc/24/39/26/757243926.db2.gz MYFALPYQQKJJSN-FOGDFJRCSA-N -1 1 311.386 0.118 20 0 DCADMM O=c1[n-]c2nc(=O)[nH]c(Nc3cnc(N4CCC4)nc3)c2[nH]1 ZINC001170217684 762568791 /nfs/dbraw/zinc/56/87/91/762568791.db2.gz KBUNLRAELODXTE-UHFFFAOYSA-N -1 1 300.282 0.459 20 0 DCADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ncc(F)c4nccnc34)c2[nH]1 ZINC001170218164 762570067 /nfs/dbraw/zinc/57/00/67/762570067.db2.gz RHRUUZZVABPUNO-UHFFFAOYSA-N -1 1 314.240 0.937 20 0 DCADMM CC(C)(C)CC(=O)NCCN(CCO)C(=O)c1ncccc1[O-] ZINC001057410317 757734157 /nfs/dbraw/zinc/73/41/57/757734157.db2.gz LWCZMMJQCDDGGQ-UHFFFAOYSA-N -1 1 323.393 0.774 20 0 DCADMM CCCCCC(=O)NCCN(CCO)C(=O)c1ncccc1[O-] ZINC001057410126 757734702 /nfs/dbraw/zinc/73/47/02/757734702.db2.gz DAINWGQFNAUAOU-UHFFFAOYSA-N -1 1 323.393 0.918 20 0 DCADMM COCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050528175 757799960 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Cc1ncc(CO)c(C(=O)NCc2nccc(Cl)n2)c1[O-] ZINC001147844222 767859218 /nfs/dbraw/zinc/85/92/18/767859218.db2.gz LTQSOMBWSIDHNI-UHFFFAOYSA-N -1 1 308.725 0.961 20 0 DCADMM CS(=O)(=O)c1ccc(C(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)cc1 ZINC001148345061 767967005 /nfs/dbraw/zinc/96/70/05/767967005.db2.gz UGVROVZCCYEXGK-UHFFFAOYSA-N -1 1 324.318 0.126 20 0 DCADMM NC(=O)c1cccc(C(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)c1 ZINC001148539074 768009044 /nfs/dbraw/zinc/00/90/44/768009044.db2.gz LTDYVEXRXVGHJJ-UHFFFAOYSA-N -1 1 303.234 0.637 20 0 DCADMM O=C(NC[C@H]1CNC(=O)CO1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148799088 768038367 /nfs/dbraw/zinc/03/83/67/768038367.db2.gz IJOSEABHJCXVSG-MRVPVSSYSA-N -1 1 318.251 0.656 20 0 DCADMM CNOCCNC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148997194 768063312 /nfs/dbraw/zinc/06/33/12/768063312.db2.gz WZEXWBMRONKDHC-UHFFFAOYSA-N -1 1 305.128 0.741 20 0 DCADMM C[C@@H]1CC[C@H](NC(=O)CC2CC2)CN1Cc1nc(=O)n(C)[n-]1 ZINC001071308557 761771022 /nfs/dbraw/zinc/77/10/22/761771022.db2.gz 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DCADMM Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H](C)NCc2cnns2)c1[O-] ZINC001409337768 941950665 /nfs/dbraw/zinc/95/06/65/941950665.db2.gz RRSCXGMFXMJBRI-RQJHMYQMSA-N -1 1 310.383 0.572 20 0 DCADMM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)NCc1nccs1 ZINC001409355597 941960830 /nfs/dbraw/zinc/96/08/30/941960830.db2.gz FJVZOLMNRRLJIM-NKWVEPMBSA-N -1 1 324.366 0.036 20 0 DCADMM CCOC1CC2(C[C@@H]2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)C1 ZINC001412838892 942075569 /nfs/dbraw/zinc/07/55/69/942075569.db2.gz LBPUUTWDMCHXJG-UWZOBUBJSA-N -1 1 314.367 0.352 20 0 DCADMM CCOC1CC2(C[C@@H]2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)C1 ZINC001412838892 942075575 /nfs/dbraw/zinc/07/55/75/942075575.db2.gz LBPUUTWDMCHXJG-UWZOBUBJSA-N -1 1 314.367 0.352 20 0 DCADMM CCOC(=O)C1([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)CC1 ZINC001258452761 942076204 /nfs/dbraw/zinc/07/62/04/942076204.db2.gz VDYCAOXPCVEBOK-UHFFFAOYSA-N -1 1 321.786 0.756 20 0 DCADMM CCC[C@@]1(C)C(=O)NCCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001412847615 942104309 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COCC[C@@H](NC(=O)c1cnc(SC)[n-]c1=O)C(=O)OC ZINC001413065527 942455158 /nfs/dbraw/zinc/45/51/58/942455158.db2.gz YKIABQGEAXKIAA-MRVPVSSYSA-N -1 1 315.351 0.212 20 0 DCADMM CCC[C@H](O)[C@H](CO)NC(=O)c1cnc(SC)[n-]c1=O ZINC001413075383 942474907 /nfs/dbraw/zinc/47/49/07/942474907.db2.gz LGGXAACJIIVSRB-IUCAKERBSA-N -1 1 301.368 0.156 20 0 DCADMM CCC[C@@H](O)[C@H](CO)NC(=O)c1cnc(SC)[n-]c1=O ZINC001413075373 942474862 /nfs/dbraw/zinc/47/48/62/942474862.db2.gz LGGXAACJIIVSRB-DTWKUNHWSA-N -1 1 301.368 0.156 20 0 DCADMM CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)CCCc1nn[n-]n1 ZINC001413186297 942546897 /nfs/dbraw/zinc/54/68/97/942546897.db2.gz TVCRMWYGIAFWEO-UHFFFAOYSA-N -1 1 321.341 0.840 20 0 DCADMM CC(C)n1nnc([N-]C(=O)c2nnn(C)c2C(F)(F)F)n1 ZINC001361531176 942552422 /nfs/dbraw/zinc/55/24/22/942552422.db2.gz XCFZUUYHNLGZPN-UHFFFAOYSA-N -1 1 304.236 0.654 20 0 DCADMM CO[C@@]1(CO)CCCN(C(=O)c2cnc(SC)[n-]c2=O)C1 ZINC001413244553 942583274 /nfs/dbraw/zinc/58/32/74/942583274.db2.gz OJYYHAQSCRWERG-ZDUSSCGKSA-N -1 1 313.379 0.518 20 0 DCADMM Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H](C)CC(=O)[O-] ZINC001611162532 970917932 /nfs/dbraw/zinc/91/79/32/970917932.db2.gz AOKJSJYVTPXFLT-QMMMGPOBSA-N -1 1 304.306 0.789 20 0 DCADMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H](C)n2cncn2)n[n-]1 ZINC001413274037 942599759 /nfs/dbraw/zinc/59/97/59/942599759.db2.gz UEAOVEZTYYKELZ-SFYZADRCSA-N -1 1 307.314 0.011 20 0 DCADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H](C)n2cncn2)[n-]1 ZINC001413274037 942599761 /nfs/dbraw/zinc/59/97/61/942599761.db2.gz UEAOVEZTYYKELZ-SFYZADRCSA-N -1 1 307.314 0.011 20 0 DCADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H](C)n2cncn2)n1 ZINC001413274037 942599765 /nfs/dbraw/zinc/59/97/65/942599765.db2.gz UEAOVEZTYYKELZ-SFYZADRCSA-N -1 1 307.314 0.011 20 0 DCADMM Cn1[n-]c(CN2CC[C@@H]2CNC(=O)/C=C/C(C)(C)C)nc1=O ZINC001483639561 942611007 /nfs/dbraw/zinc/61/10/07/942611007.db2.gz JPVBHWDKGXOQJE-OKPNEXGHSA-N -1 1 307.398 0.401 20 0 DCADMM CNc1nc(C)cc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)n1 ZINC001413303653 942614993 /nfs/dbraw/zinc/61/49/93/942614993.db2.gz XPKCMAWCKUFQSY-QMMMGPOBSA-N -1 1 322.398 0.564 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC1CC(C)(C)C1 ZINC001413316169 942625882 /nfs/dbraw/zinc/62/58/82/942625882.db2.gz IJWRCMOVBVDBCX-UHFFFAOYSA-N -1 1 301.368 0.911 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)CC2CC(C)(C)C2)nc1=O ZINC001483674161 942654943 /nfs/dbraw/zinc/65/49/43/942654943.db2.gz JALRAXHUVJEGEU-LBPRGKRZSA-N -1 1 321.425 0.625 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCS2)[n-]n1 ZINC001365682088 942862316 /nfs/dbraw/zinc/86/23/16/942862316.db2.gz GDGTTWJYFSMKCV-ZETCQYMHSA-N -1 1 305.381 0.370 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCS2)n[n-]1 ZINC001365682088 942862321 /nfs/dbraw/zinc/86/23/21/942862321.db2.gz GDGTTWJYFSMKCV-ZETCQYMHSA-N -1 1 305.381 0.370 20 0 DCADMM CCCc1c(C(=O)N(C)c2nn[n-]n2)[nH]c(C)c1C(=O)OC ZINC001413326553 942892145 /nfs/dbraw/zinc/89/21/45/942892145.db2.gz LOOJAHCGBWOUGS-UHFFFAOYSA-N -1 1 306.326 0.852 20 0 DCADMM CC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1O ZINC001413385629 942940420 /nfs/dbraw/zinc/94/04/20/942940420.db2.gz IFGADTKAIJCYFF-LLVKDONJSA-N -1 1 317.305 0.322 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C[C@H](C)O[C@H]1C ZINC001413413397 942961628 /nfs/dbraw/zinc/96/16/28/942961628.db2.gz WHJCHSMVWOXQRC-ACLDMZEESA-N -1 1 303.340 0.041 20 0 DCADMM O=C(CCc1nn[n-]n1)NCc1cc2c([nH]c1=O)CCCC2 ZINC001413426229 942969103 /nfs/dbraw/zinc/96/91/03/942969103.db2.gz DIPUEJLAQWVZDT-UHFFFAOYSA-N -1 1 302.338 0.428 20 0 DCADMM COC1(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCOCC1 ZINC001413452486 942988269 /nfs/dbraw/zinc/98/82/69/942988269.db2.gz AKPFDPCOYSFFDM-UHFFFAOYSA-N -1 1 323.349 0.067 20 0 DCADMM COC(=O)C[C@@H]1CN(C(=O)CCc2nn[n-]n2)c2ccccc21 ZINC001413463129 942994828 /nfs/dbraw/zinc/99/48/28/942994828.db2.gz SLAOBPQSTKRGHD-SNVBAGLBSA-N -1 1 315.333 0.826 20 0 DCADMM O=C(CCC1CCCC1)NCC(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001413465018 942997293 /nfs/dbraw/zinc/99/72/93/942997293.db2.gz CFBNZHRORXOWOZ-LBPRGKRZSA-N -1 1 320.397 0.602 20 0 DCADMM CCOC(=O)c1cc(C(=O)N(Cc2nn[n-]n2)CC(C)C)on1 ZINC001413507402 943029943 /nfs/dbraw/zinc/02/99/43/943029943.db2.gz YVFYVIUFTWUYBQ-UHFFFAOYSA-N -1 1 322.325 0.663 20 0 DCADMM Cc1nn(C)c(C)c1CC(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001413507312 943030007 /nfs/dbraw/zinc/03/00/07/943030007.db2.gz XTRCOTMOYIDBCQ-UHFFFAOYSA-N -1 1 305.386 0.777 20 0 DCADMM O=C(CNC(=O)CC1CCCC1)NC1(c2nn[n-]n2)CCC1 ZINC001413508499 943031022 /nfs/dbraw/zinc/03/10/22/943031022.db2.gz JDIWLGNUPCEFGW-UHFFFAOYSA-N -1 1 306.370 0.392 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCC1)c1cnc(OCC2CC2)cn1 ZINC001413512537 943036671 /nfs/dbraw/zinc/03/66/71/943036671.db2.gz YCAAZCKCYNFTLX-UHFFFAOYSA-N -1 1 315.337 0.588 20 0 DCADMM COC[C@H](NC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C)c1nn[n-]n1 ZINC001413550372 943066738 /nfs/dbraw/zinc/06/67/38/943066738.db2.gz DXHMBOQBZQSNRX-BKDNQFJXSA-N -1 1 305.342 0.093 20 0 DCADMM CCn1nc(C)c(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)n1 ZINC001413564984 943079404 /nfs/dbraw/zinc/07/94/04/943079404.db2.gz UWMIBMWBSAMYAW-JTQLQIEISA-N -1 1 304.358 0.214 20 0 DCADMM Cc1nc(NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)nn1C ZINC001413572529 943090196 /nfs/dbraw/zinc/09/01/96/943090196.db2.gz AYFGOHQVZPWWCU-UHFFFAOYSA-N -1 1 319.325 0.014 20 0 DCADMM CC(C)(F)C(=O)N(CCO)CCNC(=O)c1ncccc1[O-] ZINC001056776097 943408886 /nfs/dbraw/zinc/40/88/86/943408886.db2.gz CJJPXOGXRDUGLN-UHFFFAOYSA-N -1 1 313.329 0.086 20 0 DCADMM O=C([C@@H]1CCCO1)N1CC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001484507057 943433795 /nfs/dbraw/zinc/43/37/95/943433795.db2.gz ZOOHIBISUJFARL-QWRGUYRKSA-N -1 1 309.370 0.018 20 0 DCADMM Cn1[n-]c(CN2CCCC[C@H]2CNC(=O)C(C)(F)F)nc1=O ZINC001491196153 943821305 /nfs/dbraw/zinc/82/13/05/943821305.db2.gz LRCDEBRKWYRANJ-VIFPVBQESA-N -1 1 317.340 0.234 20 0 DCADMM Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1ncccc1[O-] ZINC001276590734 944226160 /nfs/dbraw/zinc/22/61/60/944226160.db2.gz LEZZZUGSSGXMEZ-PHIMTYICSA-N -1 1 314.349 0.015 20 0 DCADMM 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CN(C(=O)CC1(C)CCCC1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001380215360 962876737 /nfs/dbraw/zinc/87/67/37/962876737.db2.gz NGVUVLFPWWBYHN-UHFFFAOYSA-N -1 1 321.425 0.721 20 0 DCADMM Cc1cnc(C(=O)N[C@@H](C)CNCc2n[nH]c(=O)[n-]2)c(C)c1 ZINC001379532656 963140895 /nfs/dbraw/zinc/14/08/95/963140895.db2.gz WIDCRRRQFZPGFT-JTQLQIEISA-N -1 1 304.354 0.430 20 0 DCADMM C[C@H](CNC(=O)c1cn(C)cn1)N(C)C(=O)c1ncccc1[O-] ZINC001380674360 963479644 /nfs/dbraw/zinc/47/96/44/963479644.db2.gz DHWRBUQMZJFCMQ-SNVBAGLBSA-N -1 1 317.349 0.411 20 0 DCADMM Cc1nnc([C@H](C)N2CCN(C(=O)c3ncccc3[O-])CC2)[nH]1 ZINC001381080299 963800110 /nfs/dbraw/zinc/80/01/10/963800110.db2.gz XHSAAYOIPUKJMT-JTQLQIEISA-N -1 1 316.365 0.733 20 0 DCADMM CC(=O)CCCC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001447527868 1013453378 /nfs/dbraw/zinc/45/33/78/1013453378.db2.gz NSEXBIGCSDBDJT-ONGXEEELSA-N -1 1 309.370 0.206 20 0 DCADMM Cc1cnccc1CC(=O)N[C@@H](C)[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001381373629 964019462 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CC[C@@H](CNC(=O)c1cocn1)NC(=O)c1ncccc1[O-] ZINC001430545659 1013571235 /nfs/dbraw/zinc/57/12/35/1013571235.db2.gz IXFSCQPJFHNFAZ-VIFPVBQESA-N -1 1 304.306 0.714 20 0 DCADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)Cn1ccnc1 ZINC001430576094 1013599908 /nfs/dbraw/zinc/59/99/08/1013599908.db2.gz FHUVGPGXZQQEDU-LLVKDONJSA-N -1 1 317.349 0.309 20 0 DCADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001374770311 965894830 /nfs/dbraw/zinc/89/48/30/965894830.db2.gz KXPGVHQUAWUAFB-RKDXNWHRSA-N -1 1 317.340 0.930 20 0 DCADMM C[C@@H](NC(=O)CCc1ccccn1)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001447891266 1013628802 /nfs/dbraw/zinc/62/88/02/1013628802.db2.gz UXJUAWWKZRIHAP-WDEREUQCSA-N -1 1 318.381 0.521 20 0 DCADMM Cc1cnoc1C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001370472990 966165149 /nfs/dbraw/zinc/16/51/49/966165149.db2.gz PGKIVKRLLMVIJF-SNVBAGLBSA-N -1 1 318.333 0.974 20 0 DCADMM CC(C)c1scnc1C(=O)N[C@@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001374961247 966177255 /nfs/dbraw/zinc/17/72/55/966177255.db2.gz 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20 0 DCADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NC(=O)NC(C)(C)C ZINC000833832293 605908138 /nfs/dbraw/zinc/90/81/38/605908138.db2.gz SMVCASZFQVIBQV-NXEZZACHSA-N -1 1 314.386 0.589 20 0 DCADMM CC[C@H]1CN(C(=O)CCCCNC(=O)[O-])CCN1C[C@H](C)O ZINC000833851014 605923011 /nfs/dbraw/zinc/92/30/11/605923011.db2.gz YLQPQQNADHRBPA-STQMWFEESA-N -1 1 315.414 0.728 20 0 DCADMM CCN1C[C@@H](COC(=O)c2ccc(-c3nnn[n-]3)s2)CC1=O ZINC000821241544 606180015 /nfs/dbraw/zinc/18/00/15/606180015.db2.gz OQXXQQIDJXYSNJ-QMMMGPOBSA-N -1 1 321.362 0.953 20 0 DCADMM CCN1C[C@@H](COC(=O)c2ccc(-c3nn[n-]n3)s2)CC1=O ZINC000821241544 606180017 /nfs/dbraw/zinc/18/00/17/606180017.db2.gz OQXXQQIDJXYSNJ-QMMMGPOBSA-N -1 1 321.362 0.953 20 0 DCADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC000820728539 606433492 /nfs/dbraw/zinc/43/34/92/606433492.db2.gz XBBINKCGRJMMNK-RKDXNWHRSA-N -1 1 308.367 0.681 20 0 DCADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC000820728539 606433494 /nfs/dbraw/zinc/43/34/94/606433494.db2.gz XBBINKCGRJMMNK-RKDXNWHRSA-N -1 1 308.367 0.681 20 0 DCADMM Cc1nnc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000822515840 606442203 /nfs/dbraw/zinc/44/22/03/606442203.db2.gz QOGCWOVYLZKCQB-UHFFFAOYSA-N -1 1 306.359 0.377 20 0 DCADMM Cc1nnc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000822515840 606442204 /nfs/dbraw/zinc/44/22/04/606442204.db2.gz QOGCWOVYLZKCQB-UHFFFAOYSA-N -1 1 306.359 0.377 20 0 DCADMM OCCn1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000823727152 606461378 /nfs/dbraw/zinc/46/13/78/606461378.db2.gz QKUVKJFYTBYSSA-UHFFFAOYSA-N -1 1 306.717 0.848 20 0 DCADMM OCCn1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000823727152 606461380 /nfs/dbraw/zinc/46/13/80/606461380.db2.gz QKUVKJFYTBYSSA-UHFFFAOYSA-N -1 1 306.717 0.848 20 0 DCADMM COC(=O)CN(C(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000821661543 606510167 /nfs/dbraw/zinc/51/01/67/606510167.db2.gz NSNWPZVFJCULMA-UHFFFAOYSA-N -1 1 309.351 0.952 20 0 DCADMM COC(=O)CN(C(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000821661543 606510169 /nfs/dbraw/zinc/51/01/69/606510169.db2.gz NSNWPZVFJCULMA-UHFFFAOYSA-N -1 1 309.351 0.952 20 0 DCADMM COc1cccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC000821859966 606524474 /nfs/dbraw/zinc/52/44/74/606524474.db2.gz VAZHFUALKJKDHT-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1cccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC000821859966 606524475 /nfs/dbraw/zinc/52/44/75/606524475.db2.gz VAZHFUALKJKDHT-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM O=C(CNC(=O)c1cccs1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823005498 606531556 /nfs/dbraw/zinc/53/15/56/606531556.db2.gz UCAFCFKPMAOUKA-UHFFFAOYSA-N -1 1 318.322 0.020 20 0 DCADMM O=C(CNC(=O)c1cccs1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823005498 606531558 /nfs/dbraw/zinc/53/15/58/606531558.db2.gz UCAFCFKPMAOUKA-UHFFFAOYSA-N -1 1 318.322 0.020 20 0 DCADMM O=C(NC[C@@]1(O)CCSC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823170665 606583476 /nfs/dbraw/zinc/58/34/76/606583476.db2.gz GHDVHQAJHVUZPI-NSHDSACASA-N -1 1 311.392 0.526 20 0 DCADMM O=C(NC[C@@]1(O)CCSC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823170665 606583478 /nfs/dbraw/zinc/58/34/78/606583478.db2.gz GHDVHQAJHVUZPI-NSHDSACASA-N -1 1 311.392 0.526 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000820379926 606596600 /nfs/dbraw/zinc/59/66/00/606596600.db2.gz IGQILVCEUXFPKJ-VXNVDRBHSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000820379926 606596602 /nfs/dbraw/zinc/59/66/02/606596602.db2.gz IGQILVCEUXFPKJ-VXNVDRBHSA-N -1 1 306.330 0.289 20 0 DCADMM CC(C)C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820032636 606611969 /nfs/dbraw/zinc/61/19/69/606611969.db2.gz PGKMNGCAUVOZQA-UHFFFAOYSA-N -1 1 322.394 0.976 20 0 DCADMM CC(C)C1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820032636 606611971 /nfs/dbraw/zinc/61/19/71/606611971.db2.gz PGKMNGCAUVOZQA-UHFFFAOYSA-N -1 1 322.394 0.976 20 0 DCADMM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820287374 606625379 /nfs/dbraw/zinc/62/53/79/606625379.db2.gz LGDLORCSQKIMIS-MWLCHTKSSA-N -1 1 318.337 0.186 20 0 DCADMM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820287374 606625381 /nfs/dbraw/zinc/62/53/81/606625381.db2.gz LGDLORCSQKIMIS-MWLCHTKSSA-N -1 1 318.337 0.186 20 0 DCADMM NC(=O)c1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000822889686 606653130 /nfs/dbraw/zinc/65/31/30/606653130.db2.gz BARLQKWTFBKCLF-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM NC(=O)c1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000822889686 606653131 /nfs/dbraw/zinc/65/31/31/606653131.db2.gz BARLQKWTFBKCLF-UHFFFAOYSA-N -1 1 324.300 0.718 20 0 DCADMM CCc1nn(CCCCOC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518175 606703632 /nfs/dbraw/zinc/70/36/32/606703632.db2.gz QFHABEPCSCANDC-UHFFFAOYSA-N -1 1 306.370 0.975 20 0 DCADMM CCOC(=O)c1cc(Nc2nccnc2-c2nnn[n-]2)cn1C ZINC000821338262 606720829 /nfs/dbraw/zinc/72/08/29/606720829.db2.gz TXYKTGOUDMRHRI-UHFFFAOYSA-N -1 1 314.309 0.916 20 0 DCADMM CCOC(=O)c1cc(Nc2nccnc2-c2nn[n-]n2)cn1C ZINC000821338262 606720830 /nfs/dbraw/zinc/72/08/30/606720830.db2.gz TXYKTGOUDMRHRI-UHFFFAOYSA-N -1 1 314.309 0.916 20 0 DCADMM CCOC(=O)C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821325743 606758138 /nfs/dbraw/zinc/75/81/38/606758138.db2.gz LFXFSIDBEZMAGQ-MRVPVSSYSA-N -1 1 304.310 0.333 20 0 DCADMM CCOC(=O)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821325743 606758139 /nfs/dbraw/zinc/75/81/39/606758139.db2.gz LFXFSIDBEZMAGQ-MRVPVSSYSA-N -1 1 304.310 0.333 20 0 DCADMM CCc1nn(C[C@H]2CCCOC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517127 606770356 /nfs/dbraw/zinc/77/03/56/606770356.db2.gz GLOXJQWBMBBUSW-SNVBAGLBSA-N -1 1 318.381 0.975 20 0 DCADMM O=C(OCc1cn2cccnc2n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823440310 606830786 /nfs/dbraw/zinc/83/07/86/606830786.db2.gz MNUYHKIHZFYBRJ-UHFFFAOYSA-N -1 1 322.288 0.661 20 0 DCADMM O=C(OCc1cn2cccnc2n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823440310 606830788 /nfs/dbraw/zinc/83/07/88/606830788.db2.gz MNUYHKIHZFYBRJ-UHFFFAOYSA-N -1 1 322.288 0.661 20 0 DCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820315328 607107414 /nfs/dbraw/zinc/10/74/14/607107414.db2.gz NPWDYPJFIZJUEB-ZCFIWIBFSA-N -1 1 323.382 0.813 20 0 DCADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820315328 607107416 /nfs/dbraw/zinc/10/74/16/607107416.db2.gz NPWDYPJFIZJUEB-ZCFIWIBFSA-N -1 1 323.382 0.813 20 0 DCADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H]2CCCNC2=O)n1 ZINC000822427181 607161233 /nfs/dbraw/zinc/16/12/33/607161233.db2.gz DSCLJRUWTUERMJ-QMMMGPOBSA-N -1 1 305.367 0.644 20 0 DCADMM Cc1ccc(N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1C ZINC000822240946 607208783 /nfs/dbraw/zinc/20/87/83/607208783.db2.gz FZLHZJRMKORRLU-UHFFFAOYSA-N -1 1 312.337 0.738 20 0 DCADMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCCC[C@H]1C ZINC000821154078 607213589 /nfs/dbraw/zinc/21/35/89/607213589.db2.gz IWXDRDUVQHLSRN-GHMZBOCLSA-N -1 1 318.385 0.885 20 0 DCADMM CSc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cn1 ZINC000821984054 607213618 /nfs/dbraw/zinc/21/36/18/607213618.db2.gz LSCJSKXHHBAGIF-UHFFFAOYSA-N -1 1 317.338 0.214 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@H](c2ccco2)C1 ZINC000823122807 607216314 /nfs/dbraw/zinc/21/63/14/607216314.db2.gz INIWAFDRJQDCNE-VIFPVBQESA-N -1 1 314.309 0.067 20 0 DCADMM CCC[C@H]1SCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821040193 607217642 /nfs/dbraw/zinc/21/76/42/607217642.db2.gz JWCPBJLDWUEZGM-SECBINFHSA-N -1 1 308.371 0.160 20 0 DCADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H]1c1ccccc1 ZINC000820736160 607219951 /nfs/dbraw/zinc/21/99/51/607219951.db2.gz XWCFMSXJPSDREZ-GXFFZTMASA-N -1 1 324.348 0.678 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823127029 607219989 /nfs/dbraw/zinc/21/99/89/607219989.db2.gz QZKLZICINHMFBN-VXGBXAGGSA-N -1 1 324.348 0.206 20 0 DCADMM CCC(CC)(CO)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825090299 607803822 /nfs/dbraw/zinc/80/38/22/607803822.db2.gz VZZUTTITAAHYOE-UHFFFAOYSA-N -1 1 322.373 0.520 20 0 DCADMM CCC(CC)(CO)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825090299 607803823 /nfs/dbraw/zinc/80/38/23/607803823.db2.gz VZZUTTITAAHYOE-UHFFFAOYSA-N -1 1 322.373 0.520 20 0 DCADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ncn1 ZINC000826180382 607830684 /nfs/dbraw/zinc/83/06/84/607830684.db2.gz FFQUFLAWIGNVKV-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ncn1 ZINC000826180382 607830685 /nfs/dbraw/zinc/83/06/85/607830685.db2.gz FFQUFLAWIGNVKV-UHFFFAOYSA-N -1 1 303.307 0.979 20 0 DCADMM CN(C[C@@H]1CCC[C@H]1O)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825908823 607857091 /nfs/dbraw/zinc/85/70/91/607857091.db2.gz MQACBVOWUKMYIU-WCBMZHEXSA-N -1 1 320.357 0.225 20 0 DCADMM CN(C[C@@H]1CCC[C@H]1O)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825908823 607857092 /nfs/dbraw/zinc/85/70/92/607857092.db2.gz MQACBVOWUKMYIU-WCBMZHEXSA-N -1 1 320.357 0.225 20 0 DCADMM CCNC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000825470373 607895336 /nfs/dbraw/zinc/89/53/36/607895336.db2.gz CKUGDWMZUXETIU-UHFFFAOYSA-N -1 1 302.342 0.113 20 0 DCADMM CCNC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000825470373 607895337 /nfs/dbraw/zinc/89/53/37/607895337.db2.gz CKUGDWMZUXETIU-UHFFFAOYSA-N -1 1 302.342 0.113 20 0 DCADMM CC(C)N1C(=O)C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1=O ZINC000824296211 607901558 /nfs/dbraw/zinc/90/15/58/607901558.db2.gz FIQUIPRHYPJEQL-SECBINFHSA-N -1 1 301.310 0.210 20 0 DCADMM CC(C)N1C(=O)C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1=O ZINC000824296211 607901559 /nfs/dbraw/zinc/90/15/59/607901559.db2.gz FIQUIPRHYPJEQL-SECBINFHSA-N -1 1 301.310 0.210 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCC1 ZINC000824640944 607906929 /nfs/dbraw/zinc/90/69/29/607906929.db2.gz QGXUDQLGKSRZOG-MRVPVSSYSA-N -1 1 308.367 0.729 20 0 DCADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCC1 ZINC000824640944 607906930 /nfs/dbraw/zinc/90/69/30/607906930.db2.gz QGXUDQLGKSRZOG-MRVPVSSYSA-N -1 1 308.367 0.729 20 0 DCADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCO1 ZINC000825134312 607912973 /nfs/dbraw/zinc/91/29/73/607912973.db2.gz SPXFLTAVOIXGPE-JQWIXIFHSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCO1 ZINC000825134312 607912974 /nfs/dbraw/zinc/91/29/74/607912974.db2.gz SPXFLTAVOIXGPE-JQWIXIFHSA-N -1 1 302.338 0.949 20 0 DCADMM c1ncn(C[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC000826526631 607990986 /nfs/dbraw/zinc/99/09/86/607990986.db2.gz GFVUJTJNAQKKOU-SNVBAGLBSA-N -1 1 312.341 0.165 20 0 DCADMM c1ncn(C[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC000826526631 607990987 /nfs/dbraw/zinc/99/09/87/607990987.db2.gz GFVUJTJNAQKKOU-SNVBAGLBSA-N -1 1 312.341 0.165 20 0 DCADMM O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429679 607993954 /nfs/dbraw/zinc/99/39/54/607993954.db2.gz JUTPMBGPBMPWDF-WDEREUQCSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429679 607993955 /nfs/dbraw/zinc/99/39/55/607993955.db2.gz JUTPMBGPBMPWDF-WDEREUQCSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(CCO)CC1 ZINC000826472484 607996449 /nfs/dbraw/zinc/99/64/49/607996449.db2.gz 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1164325800 /nfs/dbraw/zinc/32/58/00/1164325800.db2.gz CDHFAWQLECYTGJ-UITAMQMPSA-N -1 1 316.369 0.484 20 0 DCADMM CCC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576406505 1164328608 /nfs/dbraw/zinc/32/86/08/1164328608.db2.gz BOUHYDDHKYAMQL-ZJUUUORDSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576406505 1164328613 /nfs/dbraw/zinc/32/86/13/1164328613.db2.gz BOUHYDDHKYAMQL-ZJUUUORDSA-N -1 1 316.369 0.573 20 0 DCADMM CCC(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001576415849 1164336995 /nfs/dbraw/zinc/33/69/95/1164336995.db2.gz DDHRLADXKQEFHO-JTQLQIEISA-N -1 1 316.369 0.778 20 0 DCADMM CCC(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001576415849 1164337002 /nfs/dbraw/zinc/33/70/02/1164337002.db2.gz DDHRLADXKQEFHO-JTQLQIEISA-N -1 1 316.369 0.778 20 0 DCADMM CCC(=O)N1CCCC[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001576420145 1164338650 /nfs/dbraw/zinc/33/86/50/1164338650.db2.gz IWHDMCXGUSBVTB-VIFPVBQESA-N -1 1 318.341 0.319 20 0 DCADMM CCC(=O)N1CCCC[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001576420145 1164338660 /nfs/dbraw/zinc/33/86/60/1164338660.db2.gz IWHDMCXGUSBVTB-VIFPVBQESA-N -1 1 318.341 0.319 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001576425930 1164340942 /nfs/dbraw/zinc/34/09/42/1164340942.db2.gz JGCLIHBIPNKZHB-ZJUUUORDSA-N -1 1 316.369 0.138 20 0 DCADMM CC[C@@H](C)C(=O)N(CC)CCNc1nccnc1-c1nnn[n-]1 ZINC001576562682 1164390307 /nfs/dbraw/zinc/39/03/07/1164390307.db2.gz LQYFVOBBKHDOOF-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM CC[C@@H](C)C(=O)N(CC)CCNc1nccnc1-c1nn[n-]n1 ZINC001576562682 1164390314 /nfs/dbraw/zinc/39/03/14/1164390314.db2.gz LQYFVOBBKHDOOF-SNVBAGLBSA-N -1 1 318.385 0.963 20 0 DCADMM C[C@@H]1OC(C)(C)N[C@@H]1C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001576899454 1164523070 /nfs/dbraw/zinc/52/30/70/1164523070.db2.gz RWPNHBVCKGHRTH-GUBZILKMSA-N -1 1 309.370 0.329 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576923441 1164533584 /nfs/dbraw/zinc/53/35/84/1164533584.db2.gz CLIXLQDMABFYQP-BDAKNGLRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576923441 1164533588 /nfs/dbraw/zinc/53/35/88/1164533588.db2.gz CLIXLQDMABFYQP-BDAKNGLRSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@@H](F)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576943954 1164548074 /nfs/dbraw/zinc/54/80/74/1164548074.db2.gz XNMNJUTXVCKQGY-SECBINFHSA-N -1 1 320.332 0.053 20 0 DCADMM CC[C@@H](F)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576943954 1164548083 /nfs/dbraw/zinc/54/80/83/1164548083.db2.gz XNMNJUTXVCKQGY-SECBINFHSA-N -1 1 320.332 0.053 20 0 DCADMM CC[C@H](O)CCNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001576998579 1164577866 /nfs/dbraw/zinc/57/78/66/1164577866.db2.gz DLPANEBEQGZQER-VIFPVBQESA-N -1 1 321.341 0.553 20 0 DCADMM CCC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(C)=O)CC1 ZINC001577126605 1164611719 /nfs/dbraw/zinc/61/17/19/1164611719.db2.gz NWOKAPKJQIJYOW-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CCC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(C)=O)CC1 ZINC001577126605 1164611722 /nfs/dbraw/zinc/61/17/22/1164611722.db2.gz NWOKAPKJQIJYOW-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001577203263 1164632246 /nfs/dbraw/zinc/63/22/46/1164632246.db2.gz UDVNDGHRDKLQCP-UWVGGRQHSA-N -1 1 314.353 0.246 20 0 DCADMM CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001577203263 1164632253 /nfs/dbraw/zinc/63/22/53/1164632253.db2.gz UDVNDGHRDKLQCP-UWVGGRQHSA-N -1 1 314.353 0.246 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(CC)c1nccnc1-c1nnn[n-]1 ZINC001577219130 1164639370 /nfs/dbraw/zinc/63/93/70/1164639370.db2.gz ZMGTZXZWSRJLSE-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCC(=O)NC[C@@H](C)N(CC)c1nccnc1-c1nn[n-]n1 ZINC001577219130 1164639373 /nfs/dbraw/zinc/63/93/73/1164639373.db2.gz ZMGTZXZWSRJLSE-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001577218885 1164639842 /nfs/dbraw/zinc/63/98/42/1164639842.db2.gz NBCLAORAQMZNSF-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001577218885 1164639845 /nfs/dbraw/zinc/63/98/45/1164639845.db2.gz NBCLAORAQMZNSF-UHFFFAOYSA-N -1 1 316.369 0.542 20 0 DCADMM CCCC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577219052 1164640225 /nfs/dbraw/zinc/64/02/25/1164640225.db2.gz VSOGEQGINUKEIW-MGCOHNPYSA-N -1 1 316.369 0.185 20 0 DCADMM CCCCC(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001577416067 1164688395 /nfs/dbraw/zinc/68/83/95/1164688395.db2.gz BQRNKRLNTBFNGF-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001577416067 1164688399 /nfs/dbraw/zinc/68/83/99/1164688399.db2.gz BQRNKRLNTBFNGF-SNVBAGLBSA-N -1 1 318.385 0.788 20 0 DCADMM CCCCC(=O)NCC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577421510 1164689857 /nfs/dbraw/zinc/68/98/57/1164689857.db2.gz PQNKQBSGMLRPNT-SNVBAGLBSA-N -1 1 318.385 0.576 20 0 DCADMM CCCN(CCNC(=O)C1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001577591561 1164734104 /nfs/dbraw/zinc/73/41/04/1164734104.db2.gz MYAPGSZIALYIAB-UHFFFAOYSA-N -1 1 316.369 0.399 20 0 DCADMM CCN(CCNC(=O)CC(C)C)c1nccnc1-c1nnn[n-]1 ZINC001577955207 1164860479 /nfs/dbraw/zinc/86/04/79/1164860479.db2.gz YJPWXBLLQVPYKC-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CCN(CCNC(=O)CC(C)C)c1nccnc1-c1nn[n-]n1 ZINC001577955207 1164860489 /nfs/dbraw/zinc/86/04/89/1164860489.db2.gz YJPWXBLLQVPYKC-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001578436297 1165015678 /nfs/dbraw/zinc/01/56/78/1165015678.db2.gz MARRXKJBMWBNTM-IVZWLZJFSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001578436297 1165015683 /nfs/dbraw/zinc/01/56/83/1165015683.db2.gz MARRXKJBMWBNTM-IVZWLZJFSA-N -1 1 316.369 0.619 20 0 DCADMM CCc1nc(N[C@H]2CCN(C(C)=O)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001578647146 1165077140 /nfs/dbraw/zinc/07/71/40/1165077140.db2.gz YDBZWBJCJHSZQV-WPRPVWTQSA-N -1 1 316.369 0.640 20 0 DCADMM CCc1nc(N[C@H]2CCN(C(C)=O)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001578647146 1165077151 /nfs/dbraw/zinc/07/71/51/1165077151.db2.gz YDBZWBJCJHSZQV-WPRPVWTQSA-N -1 1 316.369 0.640 20 0 DCADMM CCn1nccc1CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001578827736 1165132469 /nfs/dbraw/zinc/13/24/69/1165132469.db2.gz CKLYHJSYTIBASS-UHFFFAOYSA-N -1 1 313.325 0.800 20 0 DCADMM CCn1nccc1CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001578827736 1165132474 /nfs/dbraw/zinc/13/24/74/1165132474.db2.gz CKLYHJSYTIBASS-UHFFFAOYSA-N -1 1 313.325 0.800 20 0 DCADMM CN1C(=O)CC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579307078 1165266787 /nfs/dbraw/zinc/26/67/87/1165266787.db2.gz CAODZEVEPKDWLN-QMMMGPOBSA-N -1 1 306.351 0.165 20 0 DCADMM CN1CC2(CN(C(=O)c3csc(-c4nn[n-]n4)c3)C2)OC1=O ZINC001579323394 1165272284 /nfs/dbraw/zinc/27/22/84/1165272284.db2.gz UYUKEZOUYZSGQO-UHFFFAOYSA-N -1 1 320.334 0.205 20 0 DCADMM COC(=O)C1(NCc2nc(-c3nnn[n-]3)cs2)CCOCC1 ZINC001579439149 1165309644 /nfs/dbraw/zinc/30/96/44/1165309644.db2.gz FKDFJLUPRFNGTN-UHFFFAOYSA-N -1 1 324.366 0.135 20 0 DCADMM COC(=O)C1(NCc2nc(-c3nn[n-]n3)cs2)CCOCC1 ZINC001579439149 1165309652 /nfs/dbraw/zinc/30/96/52/1165309652.db2.gz FKDFJLUPRFNGTN-UHFFFAOYSA-N -1 1 324.366 0.135 20 0 DCADMM COC(=O)c1ccc(N2CC[C@@H](C)[C@@H](O)C2)c(-c2nnn[n-]2)n1 ZINC001579482372 1165325816 /nfs/dbraw/zinc/32/58/16/1165325816.db2.gz FYKBRCVPSKRRFY-KCJUWKMLSA-N -1 1 318.337 0.255 20 0 DCADMM COC(=O)c1ccc(N2CC[C@@H](C)[C@@H](O)C2)c(-c2nn[n-]n2)n1 ZINC001579482372 1165325826 /nfs/dbraw/zinc/32/58/26/1165325826.db2.gz FYKBRCVPSKRRFY-KCJUWKMLSA-N -1 1 318.337 0.255 20 0 DCADMM COC(=O)c1ccc(N(C)Cc2cc[nH]n2)c(-c2nnn[n-]2)n1 ZINC001579482603 1165326265 /nfs/dbraw/zinc/32/62/65/1165326265.db2.gz LWAFAXNBCXBCMK-UHFFFAOYSA-N -1 1 314.309 0.408 20 0 DCADMM COC(=O)c1ccc(N(C)Cc2cc[nH]n2)c(-c2nn[n-]n2)n1 ZINC001579482603 1165326272 /nfs/dbraw/zinc/32/62/72/1165326272.db2.gz LWAFAXNBCXBCMK-UHFFFAOYSA-N -1 1 314.309 0.408 20 0 DCADMM COC1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC001579596950 1165355951 /nfs/dbraw/zinc/35/59/51/1165355951.db2.gz ZNGTZYNXOFSZTQ-UHFFFAOYSA-N -1 1 323.378 0.740 20 0 DCADMM COCc1ccnc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001579836566 1165406964 /nfs/dbraw/zinc/40/69/64/1165406964.db2.gz AEJCCBNAIITPMQ-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COCc1ccnc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001579836566 1165406970 /nfs/dbraw/zinc/40/69/70/1165406970.db2.gz AEJCCBNAIITPMQ-UHFFFAOYSA-N -1 1 315.293 0.957 20 0 DCADMM COc1cccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001580059130 1165488527 /nfs/dbraw/zinc/48/85/27/1165488527.db2.gz NZJZHHNKFVDFRO-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1cccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001580059130 1165488531 /nfs/dbraw/zinc/48/85/31/1165488531.db2.gz NZJZHHNKFVDFRO-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1cccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC001580069251 1165490540 /nfs/dbraw/zinc/49/05/40/1165490540.db2.gz HPGOUEJVHSLJIJ-UHFFFAOYSA-N -1 1 315.293 0.748 20 0 DCADMM COc1cccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC001580069251 1165490542 /nfs/dbraw/zinc/49/05/42/1165490542.db2.gz HPGOUEJVHSLJIJ-UHFFFAOYSA-N -1 1 315.293 0.748 20 0 DCADMM COc1cnc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)nc1 ZINC001580105581 1165504962 /nfs/dbraw/zinc/50/49/62/1165504962.db2.gz DWWAIBDRNRLRJU-UHFFFAOYSA-N -1 1 317.334 0.657 20 0 DCADMM COc1cnc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001580106720 1165505257 /nfs/dbraw/zinc/50/52/57/1165505257.db2.gz PYKOMPYCKJPAAC-UHFFFAOYSA-N -1 1 317.334 0.908 20 0 DCADMM COc1cnc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001580106720 1165505260 /nfs/dbraw/zinc/50/52/60/1165505260.db2.gz PYKOMPYCKJPAAC-UHFFFAOYSA-N -1 1 317.334 0.908 20 0 DCADMM CS[C@@H](C)C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001580192138 1165533603 /nfs/dbraw/zinc/53/36/03/1165533603.db2.gz VTIHREFPNYWLAJ-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@@H](C)C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001580192138 1165533610 /nfs/dbraw/zinc/53/36/10/1165533610.db2.gz VTIHREFPNYWLAJ-YUMQZZPRSA-N -1 1 322.398 0.325 20 0 DCADMM CSCC[C@@H](O)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001580225062 1165540960 /nfs/dbraw/zinc/54/09/60/1165540960.db2.gz QGQJXIMHXBLERK-SSDOTTSWSA-N -1 1 323.382 0.520 20 0 DCADMM CSc1ccc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)cc1 ZINC001580234974 1165542482 /nfs/dbraw/zinc/54/24/82/1165542482.db2.gz KOQAHMIOQSCYNF-UHFFFAOYSA-N -1 1 316.346 0.899 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC1(C)C ZINC001580293750 1165560781 /nfs/dbraw/zinc/56/07/81/1165560781.db2.gz LEAZFNJYDSQANI-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC1(C)C ZINC001580293750 1165560792 /nfs/dbraw/zinc/56/07/92/1165560792.db2.gz LEAZFNJYDSQANI-IUCAKERBSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CCCC1 ZINC001580294210 1165561508 /nfs/dbraw/zinc/56/15/08/1165561508.db2.gz YUBUTGAGTAAPNS-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CCCC1 ZINC001580294210 1165561511 /nfs/dbraw/zinc/56/15/11/1165561511.db2.gz YUBUTGAGTAAPNS-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)[C@H](C)CCO1 ZINC001580327839 1165573180 /nfs/dbraw/zinc/57/31/80/1165573180.db2.gz ADCUUWGRQLBUBI-RKDXNWHRSA-N -1 1 320.357 0.631 20 0 DCADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)[C@H](C)CCO1 ZINC001580327839 1165573183 /nfs/dbraw/zinc/57/31/83/1165573183.db2.gz ADCUUWGRQLBUBI-RKDXNWHRSA-N -1 1 320.357 0.631 20 0 DCADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CC12CC2 ZINC001580422235 1165599278 /nfs/dbraw/zinc/59/92/78/1165599278.db2.gz HTWHKVHAZDDDIN-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC12CC2 ZINC001580422235 1165599284 /nfs/dbraw/zinc/59/92/84/1165599284.db2.gz HTWHKVHAZDDDIN-RKDXNWHRSA-N -1 1 314.353 0.373 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001580454767 1165606892 /nfs/dbraw/zinc/60/68/92/1165606892.db2.gz QPLIWMHVGXLFOV-ADLDAWLNSA-N -1 1 314.353 0.397 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001580454767 1165606905 /nfs/dbraw/zinc/60/69/05/1165606905.db2.gz QPLIWMHVGXLFOV-ADLDAWLNSA-N -1 1 314.353 0.397 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(CC[C@@H]2C[C@H]2C2CC2)c(=O)n1C ZINC001580522362 1165629868 /nfs/dbraw/zinc/62/98/68/1165629868.db2.gz OIVNDGGDVQEMMT-MNOVXSKESA-N -1 1 316.365 0.472 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1NCCc2occc21 ZINC001580595054 1165648248 /nfs/dbraw/zinc/64/82/48/1165648248.db2.gz XWRQTAARZJZYQI-ZIAGYGMSSA-N -1 1 324.344 0.885 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC001580602701 1165652770 /nfs/dbraw/zinc/65/27/70/1165652770.db2.gz RIYFAVHLKGTGCB-RKDXNWHRSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CSC1(C)C ZINC001580603382 1165653439 /nfs/dbraw/zinc/65/34/39/1165653439.db2.gz LOQOUWKHPMLGNN-MRVPVSSYSA-N -1 1 320.378 0.900 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](CO)C(C)(C)C ZINC001580607251 1165654451 /nfs/dbraw/zinc/65/44/51/1165654451.db2.gz TTXOXQWVYQBPPN-SECBINFHSA-N -1 1 320.353 0.413 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NOC1CCCC1 ZINC001580605958 1165654932 /nfs/dbraw/zinc/65/49/32/1165654932.db2.gz AAGTWVCXCIWFRL-UHFFFAOYSA-N -1 1 304.310 0.880 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ccc[nH]c1=O ZINC001580608498 1165655835 /nfs/dbraw/zinc/65/58/35/1165655835.db2.gz CWFZOVYVPCSDQC-UHFFFAOYSA-N -1 1 313.277 0.629 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(C)(C)O[C@@H]3COC[C@H]32)n1 ZINC001580650277 1165673960 /nfs/dbraw/zinc/67/39/60/1165673960.db2.gz QJFDZSCIUVGXTR-GHMZBOCLSA-N -1 1 317.353 0.348 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(C)(C)O[C@@H]3COC[C@H]32)n1 ZINC001580650277 1165673965 /nfs/dbraw/zinc/67/39/65/1165673965.db2.gz QJFDZSCIUVGXTR-GHMZBOCLSA-N -1 1 317.353 0.348 20 0 DCADMM Cc1cc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)nc(C)n1 ZINC001580979383 1165769677 /nfs/dbraw/zinc/76/96/77/1165769677.db2.gz MAPCOGDAJJHRHT-SSDOTTSWSA-N -1 1 314.313 0.065 20 0 DCADMM Cc1cnc2c(cnn2CC(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001581320432 1165813920 /nfs/dbraw/zinc/81/39/20/1165813920.db2.gz JHGXPULHUIXPIC-UHFFFAOYSA-N -1 1 324.308 0.039 20 0 DCADMM Cc1nc(CNc2nccnc2-c2nnn[n-]2)sc1C(N)=O ZINC001581454284 1165830917 /nfs/dbraw/zinc/83/09/17/1165830917.db2.gz RVGRCWMLRKBGSC-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cc1nc(CNc2nccnc2-c2nn[n-]n2)sc1C(N)=O ZINC001581454284 1165830923 /nfs/dbraw/zinc/83/09/23/1165830923.db2.gz RVGRCWMLRKBGSC-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1-c1nnn[n-]1 ZINC001581593401 1165847511 /nfs/dbraw/zinc/84/75/11/1165847511.db2.gz AVHWLSAVVSMUKW-SZEHBUNVSA-N -1 1 303.326 0.272 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1-c1nn[n-]n1 ZINC001581593401 1165847522 /nfs/dbraw/zinc/84/75/22/1165847522.db2.gz AVHWLSAVVSMUKW-SZEHBUNVSA-N -1 1 303.326 0.272 20 0 DCADMM Cc1nsc(NC(=O)c2cc3n(n2)CCO3)c1-c1nnn[n-]1 ZINC001581686718 1165859838 /nfs/dbraw/zinc/85/98/38/1165859838.db2.gz LTFJVWDMVRNLLB-UHFFFAOYSA-N -1 1 318.322 0.473 20 0 DCADMM Cc1nsc(NC(=O)c2cc3n(n2)CCO3)c1-c1nn[n-]n1 ZINC001581686718 1165859845 /nfs/dbraw/zinc/85/98/45/1165859845.db2.gz LTFJVWDMVRNLLB-UHFFFAOYSA-N -1 1 318.322 0.473 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[C@H]([S@](C)=O)C1 ZINC001581726974 1165861819 /nfs/dbraw/zinc/86/18/19/1165861819.db2.gz CWRGBVMDXHYSNL-PCVAMMEBSA-N -1 1 323.378 0.798 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[C@H]([S@](C)=O)C1 ZINC001581726974 1165861824 /nfs/dbraw/zinc/86/18/24/1165861824.db2.gz CWRGBVMDXHYSNL-PCVAMMEBSA-N -1 1 323.378 0.798 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cnc2n1CCC2 ZINC001581726954 1165862574 /nfs/dbraw/zinc/86/25/74/1165862574.db2.gz BZHNLGHEEBUHBA-UHFFFAOYSA-N -1 1 313.321 0.841 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCOC[C@H]2CCCO2)n1 ZINC001581753634 1165868148 /nfs/dbraw/zinc/86/81/48/1165868148.db2.gz MUKQMWCOLOXTDK-SECBINFHSA-N -1 1 321.341 0.124 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCOC[C@H]2CCCO2)n1 ZINC001581753634 1165868152 /nfs/dbraw/zinc/86/81/52/1165868152.db2.gz MUKQMWCOLOXTDK-SECBINFHSA-N -1 1 321.341 0.124 20 0 DCADMM NC(=O)c1ncc(NC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC001581906550 1165909355 /nfs/dbraw/zinc/90/93/55/1165909355.db2.gz SQOXCSNOOVVHBB-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM NC(=O)c1ncc(NC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC001581906550 1165909357 /nfs/dbraw/zinc/90/93/57/1165909357.db2.gz SQOXCSNOOVVHBB-UHFFFAOYSA-N -1 1 321.347 0.736 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1c(Cl)ccnc1F ZINC001581908842 1165910369 /nfs/dbraw/zinc/91/03/69/1165910369.db2.gz FLLNTVSNYYLWMC-UHFFFAOYSA-N -1 1 308.664 0.521 20 0 DCADMM Nc1nccc2c1CN(C(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001581910041 1165911628 /nfs/dbraw/zinc/91/16/28/1165911628.db2.gz GRWNMWYKMNXJBO-UHFFFAOYSA-N -1 1 322.332 0.437 20 0 DCADMM O=C(C1CC1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001581923245 1165915448 /nfs/dbraw/zinc/91/54/48/1165915448.db2.gz QPLQWRVAEREANP-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C1CC1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001581923245 1165915452 /nfs/dbraw/zinc/91/54/52/1165915452.db2.gz QPLQWRVAEREANP-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(CCN1CCOC1=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582052576 1165945689 /nfs/dbraw/zinc/94/56/89/1165945689.db2.gz AHJMSXAOAQQOBR-UHFFFAOYSA-N -1 1 322.350 0.387 20 0 DCADMM O=C(CNc1cncc(-c2nnn[n-]2)n1)NCCc1ccccc1 ZINC001582115029 1165960509 /nfs/dbraw/zinc/96/05/09/1165960509.db2.gz UDIWZCSGCOALMT-UHFFFAOYSA-N -1 1 324.348 0.428 20 0 DCADMM O=C(CNc1cncc(-c2nn[n-]n2)n1)NCCc1ccccc1 ZINC001582115029 1165960519 /nfs/dbraw/zinc/96/05/19/1165960519.db2.gz UDIWZCSGCOALMT-UHFFFAOYSA-N -1 1 324.348 0.428 20 0 DCADMM O=C(CSCc1cccnc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582132949 1165963846 /nfs/dbraw/zinc/96/38/46/1165963846.db2.gz IYLNPNLJTGZVPP-UHFFFAOYSA-N -1 1 316.350 0.857 20 0 DCADMM O=C(CSCc1cccnc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582132949 1165963856 /nfs/dbraw/zinc/96/38/56/1165963856.db2.gz IYLNPNLJTGZVPP-UHFFFAOYSA-N -1 1 316.350 0.857 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1ccccc1CO ZINC001582139278 1165968339 /nfs/dbraw/zinc/96/83/39/1165968339.db2.gz SSDHTKNMPOVXSD-UHFFFAOYSA-N -1 1 324.344 0.613 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1ccccc1CO ZINC001582139278 1165968344 /nfs/dbraw/zinc/96/83/44/1165968344.db2.gz SSDHTKNMPOVXSD-UHFFFAOYSA-N -1 1 324.344 0.613 20 0 DCADMM O=C(Cc1csc2nccn12)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582176639 1165977327 /nfs/dbraw/zinc/97/73/27/1165977327.db2.gz DUGBFGDOLOBVHZ-UHFFFAOYSA-N -1 1 315.322 0.480 20 0 DCADMM O=C(N[C@@H](CO)Cc1ccncc1)c1coc(-c2nnn[n-]2)c1 ZINC001582230810 1165985927 /nfs/dbraw/zinc/98/59/27/1165985927.db2.gz MHPKMWZXDPBWFR-LLVKDONJSA-N -1 1 314.305 0.188 20 0 DCADMM O=C(N[C@@H](CO)Cc1ccncc1)c1coc(-c2nn[n-]n2)c1 ZINC001582230810 1165985932 /nfs/dbraw/zinc/98/59/32/1165985932.db2.gz MHPKMWZXDPBWFR-LLVKDONJSA-N -1 1 314.305 0.188 20 0 DCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001582314775 1166001041 /nfs/dbraw/zinc/00/10/41/1166001041.db2.gz SPEFFPAGMOXMQB-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001582314775 1166001047 /nfs/dbraw/zinc/00/10/47/1166001047.db2.gz SPEFFPAGMOXMQB-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(NC[C@H](O)c1ccncc1)c1csc(-c2nn[n-]n2)c1 ZINC001582381515 1166008421 /nfs/dbraw/zinc/00/84/21/1166008421.db2.gz LLOPTOAKRHGVCL-JTQLQIEISA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NCCn1cccn1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582527969 1166032921 /nfs/dbraw/zinc/03/29/21/1166032921.db2.gz ATLMVSXXDHJWIT-UHFFFAOYSA-N -1 1 318.366 0.624 20 0 DCADMM O=C(NCc1cc(=O)[nH]c(=O)[nH]1)c1csc(-c2nn[n-]n2)c1 ZINC001582542739 1166036475 /nfs/dbraw/zinc/03/64/75/1166036475.db2.gz NEXIVQUSRXSSMJ-UHFFFAOYSA-N -1 1 319.306 0.059 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H]1CC12CC(O)C2 ZINC001582548937 1166038623 /nfs/dbraw/zinc/03/86/23/1166038623.db2.gz KBLMNSQTSGINLB-OILJVLCYSA-N -1 1 320.378 0.641 20 0 DCADMM O=C(Nc1cncnc1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001582650779 1166060343 /nfs/dbraw/zinc/06/03/43/1166060343.db2.gz GNZBDKYDLNUPLQ-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1ncc2c(n1)COC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001582653861 1166061253 /nfs/dbraw/zinc/06/12/53/1166061253.db2.gz ZIJXMXQHRJVSGS-UHFFFAOYSA-N -1 1 310.277 0.334 20 0 DCADMM O=C(Nc1ncc2c(n1)COC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001582653861 1166061263 /nfs/dbraw/zinc/06/12/63/1166061263.db2.gz ZIJXMXQHRJVSGS-UHFFFAOYSA-N -1 1 310.277 0.334 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc2ccccc2c(=O)o1 ZINC001582649824 1166062102 /nfs/dbraw/zinc/06/21/02/1166062102.db2.gz IJYQKQMOPJXZGU-UHFFFAOYSA-N -1 1 323.272 0.949 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1c2ccccc2C[C@H]1CO ZINC001582700828 1166067863 /nfs/dbraw/zinc/06/78/63/1166067863.db2.gz ACOKVYYDYAMGMY-LBPRGKRZSA-N -1 1 322.328 0.826 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1c2ccccc2C[C@H]1CO ZINC001582700828 1166067871 /nfs/dbraw/zinc/06/78/71/1166067871.db2.gz ACOKVYYDYAMGMY-LBPRGKRZSA-N -1 1 322.328 0.826 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1c2ccccc2C[C@H]1CO ZINC001582708278 1166068688 /nfs/dbraw/zinc/06/86/88/1166068688.db2.gz IWZGWUALWAXOIT-NSHDSACASA-N -1 1 322.328 0.826 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1c2ccccc2C[C@H]1CO ZINC001582708278 1166068693 /nfs/dbraw/zinc/06/86/93/1166068693.db2.gz IWZGWUALWAXOIT-NSHDSACASA-N -1 1 322.328 0.826 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCO[C@@]2(CCOC2)C1 ZINC001582744671 1166074087 /nfs/dbraw/zinc/07/40/87/1166074087.db2.gz BZBYNVUPVOMDRR-ZDUSSCGKSA-N -1 1 321.362 0.560 20 0 DCADMM O=C1CN(c2ccnc(-c3nnn[n-]3)c2)[C@H](c2ccccc2)CN1 ZINC001582777086 1166080644 /nfs/dbraw/zinc/08/06/44/1166080644.db2.gz FRDZRDPVCBMDML-AWEZNQCLSA-N -1 1 321.344 0.939 20 0 DCADMM O=C1CN(c2ccnc(-c3nn[n-]n3)c2)[C@H](c2ccccc2)CN1 ZINC001582777086 1166080651 /nfs/dbraw/zinc/08/06/51/1166080651.db2.gz FRDZRDPVCBMDML-AWEZNQCLSA-N -1 1 321.344 0.939 20 0 DCADMM O=S(=O)(NCc1cccnc1)c1ccsc1-c1nn[n-]n1 ZINC001582797017 1166084308 /nfs/dbraw/zinc/08/43/08/1166084308.db2.gz AWUQTOAVQXROPU-UHFFFAOYSA-N -1 1 322.375 0.802 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001582806809 1166085218 /nfs/dbraw/zinc/08/52/18/1166085218.db2.gz UKGLDRHSAJDWSI-IINYFYTJSA-N -1 1 318.337 0.152 20 0 DCADMM OC[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CC[C@H]1O ZINC001582813092 1166093194 /nfs/dbraw/zinc/09/31/94/1166093194.db2.gz WGYCDIGJBUQBCD-NTSWFWBYSA-N -1 1 316.774 0.156 20 0 DCADMM OC[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CC[C@H]1O ZINC001582813092 1166093197 /nfs/dbraw/zinc/09/31/97/1166093197.db2.gz WGYCDIGJBUQBCD-NTSWFWBYSA-N -1 1 316.774 0.156 20 0 DCADMM CC/C(C)=C\C(=O)NC[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001582997056 1166165278 /nfs/dbraw/zinc/16/52/78/1166165278.db2.gz XMJUAUCGCBJGQA-BRNRAETOSA-N -1 1 307.350 0.350 20 0 DCADMM O=C(c1c[n-]n2c1nccc2=O)N1CCC(c2cnc[nH]2)CC1 ZINC001587584793 1166508516 /nfs/dbraw/zinc/50/85/16/1166508516.db2.gz OXJRFKQIDFAMGD-UHFFFAOYSA-N -1 1 312.333 0.766 20 0 DCADMM NC(=O)c1ccc(C=CC(=O)N2CCC(c3nn[n-]n3)CC2)o1 ZINC001587875041 1166513618 /nfs/dbraw/zinc/51/36/18/1166513618.db2.gz MENZQKLBYNMBIG-RQOWECAXSA-N -1 1 316.321 0.311 20 0 DCADMM C/C(=C\C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588762319 1166587619 /nfs/dbraw/zinc/58/76/19/1166587619.db2.gz PJMHEEQOCAEFLJ-CMDGGOBGSA-N -1 1 314.353 0.541 20 0 DCADMM C/C(=C\C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588762319 1166587627 /nfs/dbraw/zinc/58/76/27/1166587627.db2.gz PJMHEEQOCAEFLJ-CMDGGOBGSA-N -1 1 314.353 0.541 20 0 DCADMM CC(=O)N1CC[C@@H](COC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001588812464 1166594808 /nfs/dbraw/zinc/59/48/08/1166594808.db2.gz LZUDDBOMGFOFAQ-SECBINFHSA-N -1 1 305.294 0.485 20 0 DCADMM CC(=O)N1CC[C@@H](COC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001588812464 1166594815 /nfs/dbraw/zinc/59/48/15/1166594815.db2.gz LZUDDBOMGFOFAQ-SECBINFHSA-N -1 1 305.294 0.485 20 0 DCADMM CC(=O)N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588840246 1166605494 /nfs/dbraw/zinc/60/54/94/1166605494.db2.gz UKOYAYNEDRIWCF-NXEZZACHSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588840246 1166605496 /nfs/dbraw/zinc/60/54/96/1166605496.db2.gz UKOYAYNEDRIWCF-NXEZZACHSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)NCCCCCCNc1nccnc1-c1nnn[n-]1 ZINC001588862677 1166611552 /nfs/dbraw/zinc/61/15/52/1166611552.db2.gz WIBOEBAGRCPCOA-UHFFFAOYSA-N -1 1 304.358 0.765 20 0 DCADMM CC(=O)NCCCCCCNc1nccnc1-c1nn[n-]n1 ZINC001588862677 1166611556 /nfs/dbraw/zinc/61/15/56/1166611556.db2.gz WIBOEBAGRCPCOA-UHFFFAOYSA-N -1 1 304.358 0.765 20 0 DCADMM C[C@H](C(=O)N1CC[C@@]2(CC2(F)F)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588951662 1166622288 /nfs/dbraw/zinc/62/22/88/1166622288.db2.gz IKZQZSKJMWSKCL-RDDDGLTNSA-N -1 1 324.295 0.277 20 0 DCADMM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001588942492 1166622438 /nfs/dbraw/zinc/62/24/38/1166622438.db2.gz ANIQFBPODPEUFZ-SECBINFHSA-N -1 1 312.337 0.762 20 0 DCADMM C[C@H](C(=O)NC(C)(C)C)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001588966097 1166624185 /nfs/dbraw/zinc/62/41/85/1166624185.db2.gz UVDCLXXOUOJSPS-MRVPVSSYSA-N -1 1 304.358 0.396 20 0 DCADMM C[C@H](C(=O)NC(C)(C)C)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001588966097 1166624188 /nfs/dbraw/zinc/62/41/88/1166624188.db2.gz UVDCLXXOUOJSPS-MRVPVSSYSA-N -1 1 304.358 0.396 20 0 DCADMM C[C@@H](C(=O)N[C@@H]1CC=CC[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001589002885 1166627610 /nfs/dbraw/zinc/62/76/10/1166627610.db2.gz GAQZEPOKILVNAX-KXUCPTDWSA-N -1 1 302.342 0.490 20 0 DCADMM CC(C)(CCNc1ccnc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001589275811 1166641628 /nfs/dbraw/zinc/64/16/28/1166641628.db2.gz JTZQKAOIJRGXHZ-UHFFFAOYSA-N -1 1 310.383 0.887 20 0 DCADMM CC(C)(CCNc1ccnc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001589275811 1166641636 /nfs/dbraw/zinc/64/16/36/1166641636.db2.gz JTZQKAOIJRGXHZ-UHFFFAOYSA-N -1 1 310.383 0.887 20 0 DCADMM CC(C)(C)n1nnc(CCOc2cccnc2-c2nnn[n-]2)n1 ZINC001589263960 1166642175 /nfs/dbraw/zinc/64/21/75/1166642175.db2.gz HRNHTVBLJNDATG-UHFFFAOYSA-N -1 1 315.341 0.625 20 0 DCADMM CC(C)(C)n1nnc(CCOc2cccnc2-c2nn[n-]n2)n1 ZINC001589263960 1166642181 /nfs/dbraw/zinc/64/21/81/1166642181.db2.gz HRNHTVBLJNDATG-UHFFFAOYSA-N -1 1 315.341 0.625 20 0 DCADMM CC(C)=CC(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001589369887 1166652286 /nfs/dbraw/zinc/65/22/86/1166652286.db2.gz FDNWOWGJCAOJQG-UHFFFAOYSA-N -1 1 302.342 0.175 20 0 DCADMM CC(C)=CC(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001589369887 1166652289 /nfs/dbraw/zinc/65/22/89/1166652289.db2.gz FDNWOWGJCAOJQG-UHFFFAOYSA-N -1 1 302.342 0.175 20 0 DCADMM CC(C)=CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001589370108 1166652528 /nfs/dbraw/zinc/65/25/28/1166652528.db2.gz NRFRKCKDAXOVHM-SNVBAGLBSA-N -1 1 314.353 0.318 20 0 DCADMM CC(C)=CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001589370108 1166652531 /nfs/dbraw/zinc/65/25/31/1166652531.db2.gz NRFRKCKDAXOVHM-SNVBAGLBSA-N -1 1 314.353 0.318 20 0 DCADMM CC(C)C(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001589401286 1166655277 /nfs/dbraw/zinc/65/52/77/1166655277.db2.gz IYAVQDFBQIHOPE-DTWKUNHWSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001589401286 1166655284 /nfs/dbraw/zinc/65/52/84/1166655284.db2.gz IYAVQDFBQIHOPE-DTWKUNHWSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)NCCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589405378 1166656687 /nfs/dbraw/zinc/65/66/87/1166656687.db2.gz CBSDCGFEOLALSV-UHFFFAOYSA-N -1 1 318.341 0.155 20 0 DCADMM CC(C)C(=O)NCCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589405378 1166656694 /nfs/dbraw/zinc/65/66/94/1166656694.db2.gz CBSDCGFEOLALSV-UHFFFAOYSA-N -1 1 318.341 0.155 20 0 DCADMM CC(C)C(NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001589466588 1166658657 /nfs/dbraw/zinc/65/86/57/1166658657.db2.gz IXBLGYVZTYAJLX-VIFPVBQESA-N -1 1 306.374 0.816 20 0 DCADMM CC(C)[C@H](C)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589436054 1166658970 /nfs/dbraw/zinc/65/89/70/1166658970.db2.gz VCJDLMMNFGHWIJ-SECBINFHSA-N -1 1 317.353 0.609 20 0 DCADMM CC(C)[C@H](C)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589436054 1166658976 /nfs/dbraw/zinc/65/89/76/1166658976.db2.gz VCJDLMMNFGHWIJ-SECBINFHSA-N -1 1 317.353 0.609 20 0 DCADMM CC(C)[C@H](O)Cc1cn(Cc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001589480522 1166662274 /nfs/dbraw/zinc/66/22/74/1166662274.db2.gz OEHKJSTZIWVFNF-CYBMUJFWSA-N -1 1 314.353 0.461 20 0 DCADMM CC(C)[C@H](O)Cc1cn(Cc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001589480522 1166662275 /nfs/dbraw/zinc/66/22/75/1166662275.db2.gz OEHKJSTZIWVFNF-CYBMUJFWSA-N -1 1 314.353 0.461 20 0 DCADMM CC(C)C[C@@H](O)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589562451 1166666567 /nfs/dbraw/zinc/66/65/67/1166666567.db2.gz IDBVLSBBHADVOF-SECBINFHSA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)C[C@@H](O)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589562451 1166666572 /nfs/dbraw/zinc/66/65/72/1166666572.db2.gz IDBVLSBBHADVOF-SECBINFHSA-N -1 1 305.342 0.790 20 0 DCADMM CC(C)CCc1noc(Cn2cnc(-c3nn[n-]n3)cc2=O)n1 ZINC001589609286 1166666607 /nfs/dbraw/zinc/66/66/07/1166666607.db2.gz FJIGUPZMVIRAKK-UHFFFAOYSA-N -1 1 316.325 0.443 20 0 DCADMM CC(C)CCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589602127 1166667517 /nfs/dbraw/zinc/66/75/17/1166667517.db2.gz RBHJNNDVHLVVIW-UHFFFAOYSA-N -1 1 303.326 0.363 20 0 DCADMM CC(C)CCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589602127 1166667522 /nfs/dbraw/zinc/66/75/22/1166667522.db2.gz RBHJNNDVHLVVIW-UHFFFAOYSA-N -1 1 303.326 0.363 20 0 DCADMM CC(C)C[C@@H]1COCCN1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001589574466 1166667753 /nfs/dbraw/zinc/66/77/53/1166667753.db2.gz VZLXHKHQSZOYIC-GFCCVEGCSA-N -1 1 318.381 0.733 20 0 DCADMM CC(C)C[C@@H](C(N)=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589653436 1166671811 /nfs/dbraw/zinc/67/18/11/1166671811.db2.gz ODYVDSBKARMJAT-QMMMGPOBSA-N -1 1 306.326 0.432 20 0 DCADMM CC(C)C[C@@H](C(N)=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589653436 1166671815 /nfs/dbraw/zinc/67/18/15/1166671815.db2.gz ODYVDSBKARMJAT-QMMMGPOBSA-N -1 1 306.326 0.432 20 0 DCADMM CC(C)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1=O ZINC001589712262 1166672516 /nfs/dbraw/zinc/67/25/16/1166672516.db2.gz SGZMBVBZKJCWON-QMMMGPOBSA-N -1 1 304.310 0.199 20 0 DCADMM CC(C)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1=O ZINC001589712262 1166672525 /nfs/dbraw/zinc/67/25/25/1166672525.db2.gz SGZMBVBZKJCWON-QMMMGPOBSA-N -1 1 304.310 0.199 20 0 DCADMM CC(C)NC(=O)OC1CN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001589724790 1166679313 /nfs/dbraw/zinc/67/93/13/1166679313.db2.gz XNKJBCCFDYOLAK-UHFFFAOYSA-N -1 1 323.382 0.642 20 0 DCADMM CC(C)NC(=O)OC1CN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001589724790 1166679315 /nfs/dbraw/zinc/67/93/15/1166679315.db2.gz XNKJBCCFDYOLAK-UHFFFAOYSA-N -1 1 323.382 0.642 20 0 DCADMM CC(C)OC[C@H](O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589746452 1166680264 /nfs/dbraw/zinc/68/02/64/1166680264.db2.gz RZCGSMIVEHCLKL-JTQLQIEISA-N -1 1 307.310 0.204 20 0 DCADMM CC(C)OC[C@H](O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589746452 1166680266 /nfs/dbraw/zinc/68/02/66/1166680266.db2.gz RZCGSMIVEHCLKL-JTQLQIEISA-N -1 1 307.310 0.204 20 0 DCADMM CC(C)O[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCOC1 ZINC001589738592 1166680803 /nfs/dbraw/zinc/68/08/03/1166680803.db2.gz YKFSAPSQITWDIO-CYBMUJFWSA-N -1 1 305.342 0.653 20 0 DCADMM CC(C)O[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCOC1 ZINC001589738592 1166680808 /nfs/dbraw/zinc/68/08/08/1166680808.db2.gz YKFSAPSQITWDIO-CYBMUJFWSA-N -1 1 305.342 0.653 20 0 DCADMM CC(C)OC[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001589746299 1166681921 /nfs/dbraw/zinc/68/19/21/1166681921.db2.gz VOJHEHCXFNNZBB-JTQLQIEISA-N -1 1 324.410 0.949 20 0 DCADMM CC(C)OC[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001589746299 1166681924 /nfs/dbraw/zinc/68/19/24/1166681924.db2.gz VOJHEHCXFNNZBB-JTQLQIEISA-N -1 1 324.410 0.949 20 0 DCADMM CC(C)n1cnnc1CN(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589783543 1166686484 /nfs/dbraw/zinc/68/64/84/1166686484.db2.gz CEVFMIXTZMIAKB-UHFFFAOYSA-N -1 1 316.325 0.904 20 0 DCADMM CC(C)n1cnnc1CN(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589783543 1166686487 /nfs/dbraw/zinc/68/64/87/1166686487.db2.gz CEVFMIXTZMIAKB-UHFFFAOYSA-N -1 1 316.325 0.904 20 0 DCADMM C[C@H](CC(=O)NCc1nc(-c2nnn[n-]2)cs1)n1cccn1 ZINC001589793642 1166687998 /nfs/dbraw/zinc/68/79/98/1166687998.db2.gz ZWSUMSBAXJFFMF-MRVPVSSYSA-N -1 1 318.366 0.787 20 0 DCADMM C[C@H](CC(=O)NCc1nc(-c2nn[n-]n2)cs1)n1cccn1 ZINC001589793642 1166688000 /nfs/dbraw/zinc/68/80/00/1166688000.db2.gz ZWSUMSBAXJFFMF-MRVPVSSYSA-N -1 1 318.366 0.787 20 0 DCADMM C[C@H](CCO)CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589833625 1166694130 /nfs/dbraw/zinc/69/41/30/1166694130.db2.gz GCUAOIMERGLJQR-MRVPVSSYSA-N -1 1 310.383 0.746 20 0 DCADMM C[C@@H](CN(C)C(=O)C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589837255 1166698093 /nfs/dbraw/zinc/69/80/93/1166698093.db2.gz YJGSMWNOKFFPCD-QMMMGPOBSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@@H](CN(C)C(=O)C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589837255 1166698095 /nfs/dbraw/zinc/69/80/95/1166698095.db2.gz YJGSMWNOKFFPCD-QMMMGPOBSA-N -1 1 302.342 0.326 20 0 DCADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N1CCc2ccccc21 ZINC001589880179 1166705430 /nfs/dbraw/zinc/70/54/30/1166705430.db2.gz RAOHIQKEMAYMPN-NSHDSACASA-N -1 1 322.376 0.942 20 0 DCADMM C[C@H](COC(=O)c1coc(-c2nnn[n-]2)c1)CS(C)(=O)=O ZINC001589885094 1166708861 /nfs/dbraw/zinc/70/88/61/1166708861.db2.gz RNAJUHKSRGNJGM-SSDOTTSWSA-N -1 1 314.323 0.297 20 0 DCADMM C[C@H](COC(=O)c1coc(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001589885094 1166708866 /nfs/dbraw/zinc/70/88/66/1166708866.db2.gz RNAJUHKSRGNJGM-SSDOTTSWSA-N -1 1 314.323 0.297 20 0 DCADMM C[C@@H](C[S@](C)=O)N(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589889392 1166709786 /nfs/dbraw/zinc/70/97/86/1166709786.db2.gz RHDARWXCBMVXJU-ZCAPAMDOSA-N -1 1 321.410 0.737 20 0 DCADMM C[C@@H](C[S@](C)=O)N(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589889392 1166709792 /nfs/dbraw/zinc/70/97/92/1166709792.db2.gz RHDARWXCBMVXJU-ZCAPAMDOSA-N -1 1 321.410 0.737 20 0 DCADMM C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccns1 ZINC001589917614 1166717463 /nfs/dbraw/zinc/71/74/63/1166717463.db2.gz GCGUWRLMMSZLHS-RQJHMYQMSA-N -1 1 319.354 0.353 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC001589926241 1166721248 /nfs/dbraw/zinc/72/12/48/1166721248.db2.gz JFOIISYIAHOFMC-LURJTMIESA-N -1 1 300.244 0.871 20 0 DCADMM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC001589926241 1166721255 /nfs/dbraw/zinc/72/12/55/1166721255.db2.gz JFOIISYIAHOFMC-LURJTMIESA-N -1 1 300.244 0.871 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nccc(N)n1 ZINC001589944752 1166726986 /nfs/dbraw/zinc/72/69/86/1166726986.db2.gz TZNVIPUMBBPZQW-ZETCQYMHSA-N -1 1 311.309 0.125 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nccc(N)n1 ZINC001589944752 1166726991 /nfs/dbraw/zinc/72/69/91/1166726991.db2.gz TZNVIPUMBBPZQW-ZETCQYMHSA-N -1 1 311.309 0.125 20 0 DCADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)C(=O)NCCF ZINC001589980620 1166735029 /nfs/dbraw/zinc/73/50/29/1166735029.db2.gz NICFUQAVOLOIED-SSDOTTSWSA-N -1 1 320.332 0.420 20 0 DCADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)C(=O)NCCF ZINC001589980620 1166735034 /nfs/dbraw/zinc/73/50/34/1166735034.db2.gz NICFUQAVOLOIED-SSDOTTSWSA-N -1 1 320.332 0.420 20 0 DCADMM C[C@H](O)C[C@H](C)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589996514 1166742959 /nfs/dbraw/zinc/74/29/59/1166742959.db2.gz HPOBWXYGXNCGBG-BQBZGAKWSA-N -1 1 311.371 0.282 20 0 DCADMM C[C@H](O)C[C@H](C)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589996514 1166742966 /nfs/dbraw/zinc/74/29/66/1166742966.db2.gz HPOBWXYGXNCGBG-BQBZGAKWSA-N -1 1 311.371 0.282 20 0 DCADMM CC1(C)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590093471 1166770276 /nfs/dbraw/zinc/77/02/76/1166770276.db2.gz RKFIWKRWDVAJHV-JTQLQIEISA-N -1 1 308.367 0.729 20 0 DCADMM CC1(C)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590093471 1166770281 /nfs/dbraw/zinc/77/02/81/1166770281.db2.gz RKFIWKRWDVAJHV-JTQLQIEISA-N -1 1 308.367 0.729 20 0 DCADMM CC1(C)CCC[C@@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590097055 1166770642 /nfs/dbraw/zinc/77/06/42/1166770642.db2.gz SOVHJGHPMQPAQI-SECBINFHSA-N -1 1 304.358 0.401 20 0 DCADMM CC1(C)C[C@]1(C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590087599 1166771287 /nfs/dbraw/zinc/77/12/87/1166771287.db2.gz UNCQDAHUZJFROV-AWEZNQCLSA-N -1 1 315.337 0.505 20 0 DCADMM CC1(C)C[C@]1(C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590087599 1166771288 /nfs/dbraw/zinc/77/12/88/1166771288.db2.gz UNCQDAHUZJFROV-AWEZNQCLSA-N -1 1 315.337 0.505 20 0 DCADMM CC1(C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H](CO)O1 ZINC001590104160 1166773630 /nfs/dbraw/zinc/77/36/30/1166773630.db2.gz TXSLTNKJFCYYDQ-SECBINFHSA-N -1 1 307.310 0.072 20 0 DCADMM CC1(C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H](CO)O1 ZINC001590104160 1166773638 /nfs/dbraw/zinc/77/36/38/1166773638.db2.gz TXSLTNKJFCYYDQ-SECBINFHSA-N -1 1 307.310 0.072 20 0 DCADMM CC1(C)CCC[C@H](n2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)C1=O ZINC001590098518 1166774176 /nfs/dbraw/zinc/77/41/76/1166774176.db2.gz TUNYSWRRPZNVKE-QMMMGPOBSA-N -1 1 304.310 0.449 20 0 DCADMM CC1(C)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C[C@H]1O ZINC001590103555 1166775035 /nfs/dbraw/zinc/77/50/35/1166775035.db2.gz YVKPUQONVNCSEE-SNVBAGLBSA-N -1 1 303.326 0.496 20 0 DCADMM CC1(C)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C[C@H]1O ZINC001590103555 1166775039 /nfs/dbraw/zinc/77/50/39/1166775039.db2.gz YVKPUQONVNCSEE-SNVBAGLBSA-N -1 1 303.326 0.496 20 0 DCADMM CC1(C)CNC(=O)[C@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590109920 1166776097 /nfs/dbraw/zinc/77/60/97/1166776097.db2.gz TWEPFMUUUMMADV-RXMQYKEDSA-N -1 1 313.774 0.913 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)[C@H](C)O1 ZINC001590192417 1166807105 /nfs/dbraw/zinc/80/71/05/1166807105.db2.gz DBHJNCFZOQBJHO-UTLUCORTSA-N -1 1 302.338 0.805 20 0 DCADMM C[C@@H]1C[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](C)O1 ZINC001590192417 1166807108 /nfs/dbraw/zinc/80/71/08/1166807108.db2.gz DBHJNCFZOQBJHO-UTLUCORTSA-N -1 1 302.338 0.805 20 0 DCADMM C[C@@H]1CC(NC(=O)c2cccc(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC001590201330 1166809114 /nfs/dbraw/zinc/80/91/14/1166809114.db2.gz ATMKNTHDHGIYPD-RKDXNWHRSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@@H]1CC(NC(=O)c2cccc(-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC001590201330 1166809119 /nfs/dbraw/zinc/80/91/19/1166809119.db2.gz ATMKNTHDHGIYPD-RKDXNWHRSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@@H]1C[C@]2(CC[C@H](CNc3cc(-c4nnn[n-]4)ncn3)O2)CO1 ZINC001590221928 1166818535 /nfs/dbraw/zinc/81/85/35/1166818535.db2.gz VPLAGIKNKDSTBS-GPCCPHFNSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1C[C@]2(CC[C@H](CNc3cc(-c4nn[n-]n4)ncn3)O2)CO1 ZINC001590221928 1166818543 /nfs/dbraw/zinc/81/85/43/1166818543.db2.gz VPLAGIKNKDSTBS-GPCCPHFNSA-N -1 1 317.353 0.795 20 0 DCADMM C[C@@H]1CC[C@@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)O1 ZINC001590230576 1166822289 /nfs/dbraw/zinc/82/22/89/1166822289.db2.gz MCHZXKHEVGCSPG-SFYZADRCSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@@H]1CC[C@@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)O1 ZINC001590230576 1166822291 /nfs/dbraw/zinc/82/22/91/1166822291.db2.gz MCHZXKHEVGCSPG-SFYZADRCSA-N -1 1 306.330 0.289 20 0 DCADMM C[C@H]1CCCC[C@@H]1Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC001590252178 1166826496 /nfs/dbraw/zinc/82/64/96/1166826496.db2.gz LDTDOCLVAVMLGH-VHSXEESVSA-N -1 1 304.354 0.553 20 0 DCADMM C[C@@H](C(=O)NC[C@@H]1CCC[C@@H](C)O1)n1cnc(-c2nn[n-]n2)n1 ZINC001590245496 1166827067 /nfs/dbraw/zinc/82/70/67/1166827067.db2.gz YWDHOYXRWNMFRD-UTLUCORTSA-N -1 1 320.357 0.093 20 0 DCADMM C[C@@H]1CCC[N@H+](Cc2ccncc2-c2nn[n-]n2)[C@H]1C(=O)[O-] ZINC001590260201 1166829186 /nfs/dbraw/zinc/82/91/86/1166829186.db2.gz FMYDZKHCAXBGHI-BXKDBHETSA-N -1 1 302.338 0.947 20 0 DCADMM C[C@@H]1CCC[N@@H+](Cc2ccncc2-c2nn[n-]n2)[C@H]1C(=O)[O-] ZINC001590260201 1166829191 /nfs/dbraw/zinc/82/91/91/1166829191.db2.gz FMYDZKHCAXBGHI-BXKDBHETSA-N -1 1 302.338 0.947 20 0 DCADMM C[C@H]1CCC[N@@H+]1Cc1cc(=O)n2[n-]cc(-c3nn[n-]n3)c2n1 ZINC001590264204 1166830331 /nfs/dbraw/zinc/83/03/31/1166830331.db2.gz KAABMLKQCPBBIT-QMMMGPOBSA-N -1 1 300.326 0.599 20 0 DCADMM C[C@H]1CCC[N@H+]1Cc1cc(=O)n2[n-]cc(-c3nn[n-]n3)c2n1 ZINC001590264204 1166830335 /nfs/dbraw/zinc/83/03/35/1166830335.db2.gz KAABMLKQCPBBIT-QMMMGPOBSA-N -1 1 300.326 0.599 20 0 DCADMM C[C@@H]1CCN(c2nnc(-c3cnc(-c4nnn[n-]4)cn3)n2C)C1 ZINC001590278086 1166838700 /nfs/dbraw/zinc/83/87/00/1166838700.db2.gz WKQVFFXGYRJMMD-MRVPVSSYSA-N -1 1 312.341 0.298 20 0 DCADMM C[C@@H]1CCN(c2nnc(-c3cnc(-c4nn[n-]n4)cn3)n2C)C1 ZINC001590278086 1166838705 /nfs/dbraw/zinc/83/87/05/1166838705.db2.gz WKQVFFXGYRJMMD-MRVPVSSYSA-N -1 1 312.341 0.298 20 0 DCADMM C[C@H]1CCc2ccccc2N1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590283577 1166840194 /nfs/dbraw/zinc/84/01/94/1166840194.db2.gz UXZNEPOVRZEZMB-JTQLQIEISA-N -1 1 324.348 0.826 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1O ZINC001590291271 1166842301 /nfs/dbraw/zinc/84/23/01/1166842301.db2.gz BNCKKUZXYOLADP-SKDRFNHKSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1O ZINC001590291271 1166842309 /nfs/dbraw/zinc/84/23/09/1166842309.db2.gz BNCKKUZXYOLADP-SKDRFNHKSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1CN(C)C(=O)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590304533 1166850146 /nfs/dbraw/zinc/85/01/46/1166850146.db2.gz TWTGBTGWYHJOMM-ZETCQYMHSA-N -1 1 307.745 0.582 20 0 DCADMM C[C@H]1CN(C)C(=O)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590304533 1166850152 /nfs/dbraw/zinc/85/01/52/1166850152.db2.gz TWTGBTGWYHJOMM-ZETCQYMHSA-N -1 1 307.745 0.582 20 0 DCADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC(=O)N1C ZINC001590311624 1166857715 /nfs/dbraw/zinc/85/77/15/1166857715.db2.gz CXYYFMJEIDKVCF-SECBINFHSA-N -1 1 324.348 0.477 20 0 DCADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC(=O)N1C ZINC001590311624 1166857718 /nfs/dbraw/zinc/85/77/18/1166857718.db2.gz CXYYFMJEIDKVCF-SECBINFHSA-N -1 1 324.348 0.477 20 0 DCADMM C[C@H]1CO[C@@H](C(F)(F)F)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590321273 1166863488 /nfs/dbraw/zinc/86/34/88/1166863488.db2.gz CFJAZUNLNHHNKY-POYBYMJQSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CO[C@@H](C(F)(F)F)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590321273 1166863493 /nfs/dbraw/zinc/86/34/93/1166863493.db2.gz CFJAZUNLNHHNKY-POYBYMJQSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(-c3nnn[n-]3)o1)CCO2 ZINC001590333709 1166871265 /nfs/dbraw/zinc/87/12/65/1166871265.db2.gz JKGLGACGAKIYQE-LKFCYVNXSA-N -1 1 319.321 0.480 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(-c3nn[n-]n3)o1)CCO2 ZINC001590333709 1166871270 /nfs/dbraw/zinc/87/12/70/1166871270.db2.gz JKGLGACGAKIYQE-LKFCYVNXSA-N -1 1 319.321 0.480 20 0 DCADMM C[C@H]1OCC[C@]12CN(c1cnc(-c3nnn[n-]3)cn1)CCO2 ZINC001590334676 1166872970 /nfs/dbraw/zinc/87/29/70/1166872970.db2.gz SQANEALGCGYGPV-RNCFNFMXSA-N -1 1 303.326 0.041 20 0 DCADMM C[C@H]1OCC[C@]12CN(c1cnc(-c3nn[n-]n3)cn1)CCO2 ZINC001590334676 1166872973 /nfs/dbraw/zinc/87/29/73/1166872973.db2.gz SQANEALGCGYGPV-RNCFNFMXSA-N -1 1 303.326 0.041 20 0 DCADMM C/C=C(\C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590342513 1166875340 /nfs/dbraw/zinc/87/53/40/1166875340.db2.gz HLURFSORLUSXHI-CYNRKNSPSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(\C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590342513 1166875348 /nfs/dbraw/zinc/87/53/48/1166875348.db2.gz HLURFSORLUSXHI-CYNRKNSPSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(/C)C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001590345040 1166878608 /nfs/dbraw/zinc/87/86/08/1166878608.db2.gz HHIPVNGGJJHLKO-IMXHIACISA-N -1 1 314.353 0.707 20 0 DCADMM C/C=C(/C)C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001590345040 1166878613 /nfs/dbraw/zinc/87/86/13/1166878613.db2.gz HHIPVNGGJJHLKO-IMXHIACISA-N -1 1 314.353 0.707 20 0 DCADMM CCC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590358957 1166883012 /nfs/dbraw/zinc/88/30/12/1166883012.db2.gz AVLIABYCBAWCBB-VIFPVBQESA-N -1 1 302.342 0.104 20 0 DCADMM CCC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590365655 1166890650 /nfs/dbraw/zinc/89/06/50/1166890650.db2.gz UNYKKOODHBPZJN-KYZUINATSA-N -1 1 302.342 0.373 20 0 DCADMM CCC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590365655 1166890655 /nfs/dbraw/zinc/89/06/55/1166890655.db2.gz UNYKKOODHBPZJN-KYZUINATSA-N -1 1 302.342 0.373 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590391485 1166897556 /nfs/dbraw/zinc/89/75/56/1166897556.db2.gz UHMQIXHSMOUMTO-VIFPVBQESA-N -1 1 304.358 0.573 20 0 DCADMM CC[C@H](C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590391485 1166897562 /nfs/dbraw/zinc/89/75/62/1166897562.db2.gz UHMQIXHSMOUMTO-VIFPVBQESA-N -1 1 304.358 0.573 20 0 DCADMM CC[C@H](C)C[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590405875 1166900814 /nfs/dbraw/zinc/90/08/14/1166900814.db2.gz DABJUPGIFCGHBA-GXSJLCMTSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@H](C)C[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590405875 1166900817 /nfs/dbraw/zinc/90/08/17/1166900817.db2.gz DABJUPGIFCGHBA-GXSJLCMTSA-N -1 1 304.354 0.789 20 0 DCADMM CC[C@@H](C[C@H](C)O)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590425112 1166902733 /nfs/dbraw/zinc/90/27/33/1166902733.db2.gz PJRXEALRRIVWNW-ONGXEEELSA-N -1 1 304.354 0.470 20 0 DCADMM CC[C@@H](C[C@H](C)O)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 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/nfs/dbraw/zinc/09/00/77/1167090077.db2.gz UOWMUYOZGJTNRD-UHFFFAOYSA-N -1 1 324.348 0.999 20 0 DCADMM CN(C)c1ncccc1N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591036569 1167090081 /nfs/dbraw/zinc/09/00/81/1167090081.db2.gz UOWMUYOZGJTNRD-UHFFFAOYSA-N -1 1 324.348 0.999 20 0 DCADMM CN(C[C@H]1CCCOC1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591058741 1167097108 /nfs/dbraw/zinc/09/71/08/1167097108.db2.gz XXCUBBRCYJGRHM-SNVBAGLBSA-N -1 1 302.338 0.760 20 0 DCADMM CN(C[C@H]1CCCOC1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591058741 1167097113 /nfs/dbraw/zinc/09/71/13/1167097113.db2.gz XXCUBBRCYJGRHM-SNVBAGLBSA-N -1 1 302.338 0.760 20 0 DCADMM CN(C[C@H]1COCCO1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591064279 1167098027 /nfs/dbraw/zinc/09/80/27/1167098027.db2.gz NDIFMWOONRLYGV-JTQLQIEISA-N -1 1 319.325 0.141 20 0 DCADMM CN(C[C@H]1COCCO1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591064279 1167098036 /nfs/dbraw/zinc/09/80/36/1167098036.db2.gz NDIFMWOONRLYGV-JTQLQIEISA-N -1 1 319.325 0.141 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccoc1 ZINC001591090107 1167102550 /nfs/dbraw/zinc/10/25/50/1167102550.db2.gz KCCBWLQTMJGHGF-UHFFFAOYSA-N -1 1 316.325 0.470 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccoc1 ZINC001591090107 1167102558 /nfs/dbraw/zinc/10/25/58/1167102558.db2.gz KCCBWLQTMJGHGF-UHFFFAOYSA-N -1 1 316.325 0.470 20 0 DCADMM CN(CCc1cnccn1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591122709 1167109004 /nfs/dbraw/zinc/10/90/04/1167109004.db2.gz NURHCDKKEUCGOZ-UHFFFAOYSA-N -1 1 310.321 0.366 20 0 DCADMM CN(CCc1cnccn1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591122709 1167109012 /nfs/dbraw/zinc/10/90/12/1167109012.db2.gz NURHCDKKEUCGOZ-UHFFFAOYSA-N -1 1 310.321 0.366 20 0 DCADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H](CO)Cc1ccccc1 ZINC001591157437 1167119338 /nfs/dbraw/zinc/11/93/38/1167119338.db2.gz KQWBCXGIPROESF-GFCCVEGCSA-N -1 1 311.349 0.697 20 0 DCADMM CN1CC[C@H](Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)C1=O ZINC001591179365 1167132937 /nfs/dbraw/zinc/13/29/37/1167132937.db2.gz LSSFETICAYWXCB-SNVBAGLBSA-N -1 1 324.344 0.660 20 0 DCADMM CNC(=O)C1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001591200306 1167148484 /nfs/dbraw/zinc/14/84/84/1167148484.db2.gz IULYFMFTNWXEQH-UHFFFAOYSA-N -1 1 305.294 0.419 20 0 DCADMM CNC(=O)C1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001591200306 1167148488 /nfs/dbraw/zinc/14/84/88/1167148488.db2.gz IULYFMFTNWXEQH-UHFFFAOYSA-N -1 1 305.294 0.419 20 0 DCADMM CN=[S@](C)(=O)CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591198797 1167148728 /nfs/dbraw/zinc/14/87/28/1167148728.db2.gz NXSMAPIAFMHCAR-HXUWFJFHSA-N -1 1 314.396 0.386 20 0 DCADMM CN=[S@](C)(=O)CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591198797 1167148737 /nfs/dbraw/zinc/14/87/37/1167148737.db2.gz NXSMAPIAFMHCAR-HXUWFJFHSA-N -1 1 314.396 0.386 20 0 DCADMM CNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001591203256 1167150654 /nfs/dbraw/zinc/15/06/54/1167150654.db2.gz CDQIYLNGSIZFQI-VIFPVBQESA-N -1 1 318.337 0.366 20 0 DCADMM CNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001591203256 1167150659 /nfs/dbraw/zinc/15/06/59/1167150659.db2.gz CDQIYLNGSIZFQI-VIFPVBQESA-N -1 1 318.337 0.366 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591203791 1167152813 /nfs/dbraw/zinc/15/28/13/1167152813.db2.gz KULODYDIZCOMPK-BDAKNGLRSA-N -1 1 302.342 0.292 20 0 DCADMM CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591203791 1167152818 /nfs/dbraw/zinc/15/28/18/1167152818.db2.gz KULODYDIZCOMPK-BDAKNGLRSA-N -1 1 302.342 0.292 20 0 DCADMM COC(=O)[C@H](C)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591229225 1167168702 /nfs/dbraw/zinc/16/87/02/1167168702.db2.gz NGEZAFCUBOPSSZ-SSDOTTSWSA-N -1 1 307.285 0.545 20 0 DCADMM COC(=O)[C@H](C)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591229225 1167168704 /nfs/dbraw/zinc/16/87/04/1167168704.db2.gz NGEZAFCUBOPSSZ-SSDOTTSWSA-N -1 1 307.285 0.545 20 0 DCADMM COC(=O)C12CC(C(=O)Nc3n[nH]c(C)c3-c3nn[n-]n3)(C1)C2 ZINC001591245608 1167174361 /nfs/dbraw/zinc/17/43/61/1167174361.db2.gz FRESVCJQORMOKZ-UHFFFAOYSA-N -1 1 317.309 0.180 20 0 DCADMM COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001591250784 1167176830 /nfs/dbraw/zinc/17/68/30/1167176830.db2.gz URUAFOGYCGXXMA-MWLCHTKSSA-N -1 1 323.378 0.427 20 0 DCADMM COC(=O)/C=C\[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591257505 1167181077 /nfs/dbraw/zinc/18/10/77/1167181077.db2.gz QVCIMKBSUAJQPI-IQXGSHKSSA-N -1 1 305.294 0.616 20 0 DCADMM COC(=O)/C=C\[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591257505 1167181081 /nfs/dbraw/zinc/18/10/81/1167181081.db2.gz QVCIMKBSUAJQPI-IQXGSHKSSA-N -1 1 305.294 0.616 20 0 DCADMM COC(=O)CC(C)(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001591256694 1167182206 /nfs/dbraw/zinc/18/22/06/1167182206.db2.gz LEARBKYXUDEHQY-UHFFFAOYSA-N -1 1 319.321 0.894 20 0 DCADMM COC(=O)CC(C)(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001591256694 1167182210 /nfs/dbraw/zinc/18/22/10/1167182210.db2.gz LEARBKYXUDEHQY-UHFFFAOYSA-N -1 1 319.321 0.894 20 0 DCADMM COC(=O)c1ccc(N[C@H]2[C@@H]3COC[C@@H]32)c(-c2nnn[n-]2)n1 ZINC001591296128 1167202941 /nfs/dbraw/zinc/20/29/41/1167202941.db2.gz CSBBRCHNHYQRQT-MTBHXBHISA-N -1 1 302.294 0.105 20 0 DCADMM COC(=O)c1ccc(N[C@H]2[C@@H]3COC[C@@H]32)c(-c2nn[n-]n2)n1 ZINC001591296128 1167202947 /nfs/dbraw/zinc/20/29/47/1167202947.db2.gz CSBBRCHNHYQRQT-MTBHXBHISA-N -1 1 302.294 0.105 20 0 DCADMM COC(=O)c1ccc(NCCC2(O)CCC2)c(-c2nnn[n-]2)n1 ZINC001591296507 1167204370 /nfs/dbraw/zinc/20/43/70/1167204370.db2.gz RDEPFWXKOKAHKC-UHFFFAOYSA-N -1 1 318.337 0.765 20 0 DCADMM COC(=O)c1ccc(NCCC2(O)CCC2)c(-c2nn[n-]n2)n1 ZINC001591296507 1167204374 /nfs/dbraw/zinc/20/43/74/1167204374.db2.gz RDEPFWXKOKAHKC-UHFFFAOYSA-N -1 1 318.337 0.765 20 0 DCADMM COC(=O)c1coc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC001591307992 1167205299 /nfs/dbraw/zinc/20/52/99/1167205299.db2.gz UMNQSAJITAUHET-UHFFFAOYSA-N -1 1 315.289 0.765 20 0 DCADMM COC(=O)c1ccc2c(c1)CN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001591297657 1167207504 /nfs/dbraw/zinc/20/75/04/1167207504.db2.gz JYRJYRPQSPZWNI-UHFFFAOYSA-N -1 1 323.316 0.964 20 0 DCADMM COC(=O)c1ccc2c(c1)CN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001591297657 1167207510 /nfs/dbraw/zinc/20/75/10/1167207510.db2.gz JYRJYRPQSPZWNI-UHFFFAOYSA-N -1 1 323.316 0.964 20 0 DCADMM COC(=O)c1ccc(S[C@H](C)CCO)c(-c2nnn[n-]2)n1 ZINC001591298703 1167207741 /nfs/dbraw/zinc/20/77/41/1167207741.db2.gz VUKXIWHKFUENCA-SSDOTTSWSA-N -1 1 309.351 0.911 20 0 DCADMM COC(=O)c1ccc(S[C@H](C)CCO)c(-c2nn[n-]n2)n1 ZINC001591298703 1167207743 /nfs/dbraw/zinc/20/77/43/1167207743.db2.gz VUKXIWHKFUENCA-SSDOTTSWSA-N -1 1 309.351 0.911 20 0 DCADMM COC(=O)c1ccc(S[C@@H](C)CCO)c(-c2nnn[n-]2)n1 ZINC001591298704 1167207974 /nfs/dbraw/zinc/20/79/74/1167207974.db2.gz VUKXIWHKFUENCA-ZETCQYMHSA-N -1 1 309.351 0.911 20 0 DCADMM COC(=O)c1ccc(S[C@@H](C)CCO)c(-c2nn[n-]n2)n1 ZINC001591298704 1167207982 /nfs/dbraw/zinc/20/79/82/1167207982.db2.gz VUKXIWHKFUENCA-ZETCQYMHSA-N -1 1 309.351 0.911 20 0 DCADMM CO[C@@H](C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C)C1CCC1 ZINC001591315736 1167209058 /nfs/dbraw/zinc/20/90/58/1167209058.db2.gz IFFUKLXUSLOWGL-SNVBAGLBSA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@@H](C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C)C1CCC1 ZINC001591315736 1167209065 /nfs/dbraw/zinc/20/90/65/1167209065.db2.gz IFFUKLXUSLOWGL-SNVBAGLBSA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@@]1(C)CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC001591340887 1167223697 /nfs/dbraw/zinc/22/36/97/1167223697.db2.gz ZXXJBUQUOFBFPB-AWEZNQCLSA-N -1 1 320.353 0.733 20 0 DCADMM CO[C@@]1(C)CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC001591340887 1167223706 /nfs/dbraw/zinc/22/37/06/1167223706.db2.gz ZXXJBUQUOFBFPB-AWEZNQCLSA-N -1 1 320.353 0.733 20 0 DCADMM CO[C@@H]1CC[C@H](C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)C1 ZINC001591348817 1167228884 /nfs/dbraw/zinc/22/88/84/1167228884.db2.gz XMNUKECASWMBTE-DTWKUNHWSA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@@H]1CC[C@H](C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)C1 ZINC001591348817 1167228892 /nfs/dbraw/zinc/22/88/92/1167228892.db2.gz XMNUKECASWMBTE-DTWKUNHWSA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591362747 1167235681 /nfs/dbraw/zinc/23/56/81/1167235681.db2.gz QEEWYGSJXIAVLN-LDYMZIIASA-N -1 1 307.310 0.241 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591362747 1167235688 /nfs/dbraw/zinc/23/56/88/1167235688.db2.gz QEEWYGSJXIAVLN-LDYMZIIASA-N -1 1 307.310 0.241 20 0 DCADMM COC[C@@H](O)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591380726 1167249572 /nfs/dbraw/zinc/24/95/72/1167249572.db2.gz JBJFIPQTNMOPJE-YFKPBYRVSA-N -1 1 304.763 0.786 20 0 DCADMM COC[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccco1 ZINC001591381447 1167251628 /nfs/dbraw/zinc/25/16/28/1167251628.db2.gz IEWOJBFRYVNFPS-NSHDSACASA-N -1 1 314.305 0.972 20 0 DCADMM COC[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccco1 ZINC001591381447 1167251638 /nfs/dbraw/zinc/25/16/38/1167251638.db2.gz IEWOJBFRYVNFPS-NSHDSACASA-N -1 1 314.305 0.972 20 0 DCADMM COC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC001591383199 1167254679 /nfs/dbraw/zinc/25/46/79/1167254679.db2.gz YSTUZFQQJHADNZ-ZWNOBZJWSA-N -1 1 304.354 0.537 20 0 DCADMM COC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC001591383199 1167254686 /nfs/dbraw/zinc/25/46/86/1167254686.db2.gz YSTUZFQQJHADNZ-ZWNOBZJWSA-N -1 1 304.354 0.537 20 0 DCADMM COCC1(C)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001591386083 1167254798 /nfs/dbraw/zinc/25/47/98/1167254798.db2.gz HRKKNXYTJDPGGT-UHFFFAOYSA-N -1 1 303.326 0.762 20 0 DCADMM COCC1(C)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001591386083 1167254805 /nfs/dbraw/zinc/25/48/05/1167254805.db2.gz HRKKNXYTJDPGGT-UHFFFAOYSA-N -1 1 303.326 0.762 20 0 DCADMM COC[C@@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001591385393 1167255007 /nfs/dbraw/zinc/25/50/07/1167255007.db2.gz AVZWHTXEXDLFQS-CYBMUJFWSA-N -1 1 307.310 0.337 20 0 DCADMM COC[C@@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001591385393 1167255016 /nfs/dbraw/zinc/25/50/16/1167255016.db2.gz AVZWHTXEXDLFQS-CYBMUJFWSA-N -1 1 307.310 0.337 20 0 DCADMM COCCC[C@@H](C)OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591408225 1167273606 /nfs/dbraw/zinc/27/36/06/1167273606.db2.gz XYQKCMWMKYPHDI-RKDXNWHRSA-N -1 1 309.330 0.378 20 0 DCADMM COCCCn1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cn1 ZINC001591418200 1167278947 /nfs/dbraw/zinc/27/89/47/1167278947.db2.gz BJGYWIUKKTVUAK-UHFFFAOYSA-N -1 1 317.313 0.075 20 0 DCADMM COCCO[C@H]1CCN(c2ccc(C)c(-c3nnn[n-]3)n2)C1 ZINC001591433276 1167284089 /nfs/dbraw/zinc/28/40/89/1167284089.db2.gz CLKCLZFPALJRIH-NSHDSACASA-N -1 1 304.354 0.812 20 0 DCADMM COCCO[C@H]1CCN(c2ccc(C)c(-c3nn[n-]n3)n2)C1 ZINC001591433276 1167284095 /nfs/dbraw/zinc/28/40/95/1167284095.db2.gz CLKCLZFPALJRIH-NSHDSACASA-N -1 1 304.354 0.812 20 0 DCADMM COCCOC(=O)CSc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591431506 1167284928 /nfs/dbraw/zinc/28/49/28/1167284928.db2.gz ONALTECCLGNADZ-UHFFFAOYSA-N -1 1 310.339 0.247 20 0 DCADMM COCCOC(=O)CSc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591431506 1167284937 /nfs/dbraw/zinc/28/49/37/1167284937.db2.gz ONALTECCLGNADZ-UHFFFAOYSA-N -1 1 310.339 0.247 20 0 DCADMM COCCOC(=O)CSCc1nc(-c2nnn[n-]2)cs1 ZINC001591431512 1167285239 /nfs/dbraw/zinc/28/52/39/1167285239.db2.gz ORRQDJXETLUQBV-UHFFFAOYSA-N -1 1 315.380 0.746 20 0 DCADMM COCCOC(=O)CSCc1nc(-c2nn[n-]n2)cs1 ZINC001591431512 1167285244 /nfs/dbraw/zinc/28/52/44/1167285244.db2.gz ORRQDJXETLUQBV-UHFFFAOYSA-N -1 1 315.380 0.746 20 0 DCADMM COCCOc1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591446087 1167288836 /nfs/dbraw/zinc/28/88/36/1167288836.db2.gz INTGQBLKRVJHIF-UHFFFAOYSA-N -1 1 313.321 0.847 20 0 DCADMM COCCOCCOCCN(C)c1cccnc1-c1nnn[n-]1 ZINC001591439805 1167289239 /nfs/dbraw/zinc/28/92/39/1167289239.db2.gz GVDBUQMTQDJZTF-UHFFFAOYSA-N -1 1 322.369 0.378 20 0 DCADMM COCCOCCOCCN(C)c1cccnc1-c1nn[n-]n1 ZINC001591439805 1167289244 /nfs/dbraw/zinc/28/92/44/1167289244.db2.gz GVDBUQMTQDJZTF-UHFFFAOYSA-N -1 1 322.369 0.378 20 0 DCADMM COCCn1cc(CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001591449994 1167289802 /nfs/dbraw/zinc/28/98/02/1167289802.db2.gz ABPWNJHSPKNKBL-UHFFFAOYSA-N -1 1 301.314 0.112 20 0 DCADMM COCCn1cc(CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001591449994 1167289805 /nfs/dbraw/zinc/28/98/05/1167289805.db2.gz ABPWNJHSPKNKBL-UHFFFAOYSA-N -1 1 301.314 0.112 20 0 DCADMM CON1CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC001591468685 1167301029 /nfs/dbraw/zinc/30/10/29/1167301029.db2.gz TVUBPJSGAUEXQJ-UHFFFAOYSA-N -1 1 318.337 0.784 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1nc(C2CC2)no1 ZINC001591475216 1167307801 /nfs/dbraw/zinc/30/78/01/1167307801.db2.gz UIIMWWNEGKHGNB-UHFFFAOYSA-N -1 1 315.293 0.346 20 0 DCADMM COc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n(C)n1 ZINC001591541117 1167328096 /nfs/dbraw/zinc/32/80/96/1167328096.db2.gz JCUHEXYHXXMDOS-UHFFFAOYSA-N -1 1 314.309 0.185 20 0 DCADMM COc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n(C)n1 ZINC001591541117 1167328104 /nfs/dbraw/zinc/32/81/04/1167328104.db2.gz JCUHEXYHXXMDOS-UHFFFAOYSA-N -1 1 314.309 0.185 20 0 DCADMM COc1ccc(C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC ZINC001591571776 1167334107 /nfs/dbraw/zinc/33/41/07/1167334107.db2.gz XUIMNVQLIHHXLY-UHFFFAOYSA-N -1 1 315.293 0.358 20 0 DCADMM COc1cccn2c(=O)n(Cc3ccc(-c4nnn[n-]4)o3)nc12 ZINC001591654632 1167341736 /nfs/dbraw/zinc/34/17/36/1167341736.db2.gz WEQNLXUCRXUJKQ-UHFFFAOYSA-N -1 1 313.277 0.326 20 0 DCADMM COc1cccn2c(=O)n(Cc3ccc(-c4nn[n-]n4)o3)nc12 ZINC001591654632 1167341751 /nfs/dbraw/zinc/34/17/51/1167341751.db2.gz WEQNLXUCRXUJKQ-UHFFFAOYSA-N -1 1 313.277 0.326 20 0 DCADMM COc1ccccc1C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001591645981 1167342194 /nfs/dbraw/zinc/34/21/94/1167342194.db2.gz KVFMGKKNXCQADS-UHFFFAOYSA-N -1 1 311.301 0.920 20 0 DCADMM COc1nc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)co1 ZINC001591660658 1167342911 /nfs/dbraw/zinc/34/29/11/1167342911.db2.gz YXIZHNXUXFJFJG-UHFFFAOYSA-N -1 1 301.266 0.188 20 0 DCADMM COc1nc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)co1 ZINC001591660658 1167342917 /nfs/dbraw/zinc/34/29/17/1167342917.db2.gz YXIZHNXUXFJFJG-UHFFFAOYSA-N -1 1 301.266 0.188 20 0 DCADMM COc1cncc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001591658975 1167343514 /nfs/dbraw/zinc/34/35/14/1167343514.db2.gz MWRLWZSWSCJFDY-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1cncc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001591658975 1167343519 /nfs/dbraw/zinc/34/35/19/1167343519.db2.gz MWRLWZSWSCJFDY-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001591674114 1167349845 /nfs/dbraw/zinc/34/98/45/1167349845.db2.gz RRMOOLDQAKIQBL-SNVBAGLBSA-N -1 1 322.394 0.665 20 0 DCADMM CS(=O)(=O)[C@@H]1CCCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001591674114 1167349849 /nfs/dbraw/zinc/34/98/49/1167349849.db2.gz RRMOOLDQAKIQBL-SNVBAGLBSA-N -1 1 322.394 0.665 20 0 DCADMM CS(=O)(=O)[C@H]1CCCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001591674508 1167351694 /nfs/dbraw/zinc/35/16/94/1167351694.db2.gz YJHSYSXOJLOGAG-VIFPVBQESA-N -1 1 323.382 0.060 20 0 DCADMM CS(=O)(=O)[C@H]1CCCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001591674508 1167351699 /nfs/dbraw/zinc/35/16/99/1167351699.db2.gz YJHSYSXOJLOGAG-VIFPVBQESA-N -1 1 323.382 0.060 20 0 DCADMM C[S@](=O)[C@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001591682537 1167351824 /nfs/dbraw/zinc/35/18/24/1167351824.db2.gz IYQWFKKFCFEMLK-HORACTTISA-N -1 1 307.383 0.758 20 0 DCADMM C[S@](=O)[C@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001591682537 1167351829 /nfs/dbraw/zinc/35/18/29/1167351829.db2.gz IYQWFKKFCFEMLK-HORACTTISA-N -1 1 307.383 0.758 20 0 DCADMM CS[C@H](C)C(=O)NCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591686870 1167353704 /nfs/dbraw/zinc/35/37/04/1167353704.db2.gz MIRHAMGZSDWBEY-MRVPVSSYSA-N -1 1 322.398 0.245 20 0 DCADMM CS[C@H](C)C(=O)NCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591686870 1167353707 /nfs/dbraw/zinc/35/37/07/1167353707.db2.gz MIRHAMGZSDWBEY-MRVPVSSYSA-N -1 1 322.398 0.245 20 0 DCADMM CS[C@H]1CC[C@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001591693089 1167356897 /nfs/dbraw/zinc/35/68/97/1167356897.db2.gz ZNFXGOPZTJEBTF-IUCAKERBSA-N -1 1 322.398 0.201 20 0 DCADMM C[C@H](O)CCNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591770073 1167372583 /nfs/dbraw/zinc/37/25/83/1167372583.db2.gz IDHZMEBRMNVNNL-BYPYZUCNSA-N -1 1 317.762 0.869 20 0 DCADMM Cc1c([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cnn1C ZINC001591814435 1167385752 /nfs/dbraw/zinc/38/57/52/1167385752.db2.gz SNYBYFRKRILEIC-QMMMGPOBSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1c([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cnn1C ZINC001591814435 1167385758 /nfs/dbraw/zinc/38/57/58/1167385758.db2.gz SNYBYFRKRILEIC-QMMMGPOBSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc3nonc3c2)c1 ZINC001591837209 1167390120 /nfs/dbraw/zinc/39/01/20/1167390120.db2.gz VPXRWMFJJWXJKW-UHFFFAOYSA-N -1 1 309.289 0.921 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2cc3n(n2)CCCC3)c1 ZINC001591836574 1167390832 /nfs/dbraw/zinc/39/08/32/1167390832.db2.gz BKJUNCOIOKAOOB-UHFFFAOYSA-N -1 1 311.349 0.918 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C)[S@](=O)CC2)n1 ZINC001591885288 1167410527 /nfs/dbraw/zinc/41/05/27/1167410527.db2.gz OMIMQIHDSSGYAN-AOUSDQRYSA-N -1 1 307.383 0.312 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C)[S@](=O)CC2)n1 ZINC001591885288 1167410530 /nfs/dbraw/zinc/41/05/30/1167410530.db2.gz OMIMQIHDSSGYAN-AOUSDQRYSA-N -1 1 307.383 0.312 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCC23OCCO3)n1 ZINC001591892869 1167413672 /nfs/dbraw/zinc/41/36/72/1167413672.db2.gz UDZWTCUXQLSMAE-JTQLQIEISA-N -1 1 303.326 0.673 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCC23OCCO3)n1 ZINC001591892869 1167413677 /nfs/dbraw/zinc/41/36/77/1167413677.db2.gz UDZWTCUXQLSMAE-JTQLQIEISA-N -1 1 303.326 0.673 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(Sc2nnnn2C(C)C)n1 ZINC001591904613 1167415826 /nfs/dbraw/zinc/41/58/26/1167415826.db2.gz ZXLGTYKLXHJIPI-UHFFFAOYSA-N -1 1 304.343 0.684 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(Sc2nnnn2C(C)C)n1 ZINC001591904613 1167415829 /nfs/dbraw/zinc/41/58/29/1167415829.db2.gz ZXLGTYKLXHJIPI-UHFFFAOYSA-N -1 1 304.343 0.684 20 0 DCADMM Cc1cc(C)nc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001591957908 1167425781 /nfs/dbraw/zinc/42/57/81/1167425781.db2.gz PYCBAXFIZWNXRP-UHFFFAOYSA-N -1 1 310.321 0.850 20 0 DCADMM Cc1cc(C)nc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001591957908 1167425782 /nfs/dbraw/zinc/42/57/82/1167425782.db2.gz PYCBAXFIZWNXRP-UHFFFAOYSA-N -1 1 310.321 0.850 20 0 DCADMM Cc1cc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)cc(Cl)n1 ZINC001591977771 1167427866 /nfs/dbraw/zinc/42/78/66/1167427866.db2.gz WBOMUUNQAGQIAQ-UHFFFAOYSA-N -1 1 319.712 0.534 20 0 DCADMM Cc1cc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc(-c2nnn[n-]2)n1 ZINC001591996084 1167430344 /nfs/dbraw/zinc/43/03/44/1167430344.db2.gz WLVIVMOJWNCUBH-JTQLQIEISA-N -1 1 322.394 0.441 20 0 DCADMM Cc1cc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc(-c2nn[n-]n2)n1 ZINC001591996084 1167430347 /nfs/dbraw/zinc/43/03/47/1167430347.db2.gz WLVIVMOJWNCUBH-JTQLQIEISA-N -1 1 322.394 0.441 20 0 DCADMM Cc1cc(N[C@@H](C)CCS(C)(=O)=O)nc(-c2nnn[n-]2)c1 ZINC001592032793 1167438617 /nfs/dbraw/zinc/43/86/17/1167438617.db2.gz AWWOADOTRSUTIK-VIFPVBQESA-N -1 1 310.383 0.805 20 0 DCADMM Cc1cc(N[C@@H](C)CCS(C)(=O)=O)nc(-c2nn[n-]n2)c1 ZINC001592032793 1167438620 /nfs/dbraw/zinc/43/86/20/1167438620.db2.gz AWWOADOTRSUTIK-VIFPVBQESA-N -1 1 310.383 0.805 20 0 DCADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c(=O)n(C)c1 ZINC001592029885 1167439368 /nfs/dbraw/zinc/43/93/68/1167439368.db2.gz NDYYSIKZUMYLID-UHFFFAOYSA-N -1 1 300.278 0.719 20 0 DCADMM Cc1ccc(N2CCO[C@@]3(CCCOC3)C2)nc1-c1nnn[n-]1 ZINC001592175107 1167467457 /nfs/dbraw/zinc/46/74/57/1167467457.db2.gz HCJBSSJNFAAQHI-HNNXBMFYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(N2CCO[C@@]3(CCCOC3)C2)nc1-c1nn[n-]n1 ZINC001592175107 1167467459 /nfs/dbraw/zinc/46/74/59/1167467459.db2.gz HCJBSSJNFAAQHI-HNNXBMFYSA-N -1 1 316.365 0.956 20 0 DCADMM Cc1ccc(N2CC[C@H](CS(C)(=O)=O)C2)nc1-c1nnn[n-]1 ZINC001592174944 1167469131 /nfs/dbraw/zinc/46/91/31/1167469131.db2.gz MWUSDFNTZUJGCV-JTQLQIEISA-N -1 1 322.394 0.441 20 0 DCADMM Cc1ccc(N2CC[C@H](CS(C)(=O)=O)C2)nc1-c1nn[n-]n1 ZINC001592174944 1167469135 /nfs/dbraw/zinc/46/91/35/1167469135.db2.gz MWUSDFNTZUJGCV-JTQLQIEISA-N -1 1 322.394 0.441 20 0 DCADMM Cc1nnc(Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)o1 ZINC001592203013 1167476445 /nfs/dbraw/zinc/47/64/45/1167476445.db2.gz SQZYAAWUIOVIIA-UHFFFAOYSA-N -1 1 324.304 0.625 20 0 DCADMM Cc1ccn(CC[C@@H]2COC(C)(C)O2)c(=O)c1-c1nn[n-]n1 ZINC001592265602 1167480751 /nfs/dbraw/zinc/48/07/51/1167480751.db2.gz BXNRCXNQPUUWMR-SNVBAGLBSA-N -1 1 305.338 0.878 20 0 DCADMM Cc1cnc(COC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)o1 ZINC001592294105 1167484638 /nfs/dbraw/zinc/48/46/38/1167484638.db2.gz TUBTXSWRVKIEFD-SSDOTTSWSA-N -1 1 304.270 0.059 20 0 DCADMM Cc1cocc1C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001592309703 1167487577 /nfs/dbraw/zinc/48/75/77/1167487577.db2.gz BTZFVHDKNAEHFX-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1cocc1C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001592309703 1167487581 /nfs/dbraw/zinc/48/75/81/1167487581.db2.gz BTZFVHDKNAEHFX-UHFFFAOYSA-N -1 1 314.309 0.400 20 0 DCADMM Cc1[nH]nc(NC(=O)COc2ccsn2)c1-c1nn[n-]n1 ZINC001592327923 1167488923 /nfs/dbraw/zinc/48/89/23/1167488923.db2.gz MAZPPGUMJCILKE-UHFFFAOYSA-N -1 1 306.311 0.372 20 0 DCADMM Cc1[nH]nc(NC(=O)C2(C)COC(C)(C)OC2)c1-c1nn[n-]n1 ZINC001592327077 1167489586 /nfs/dbraw/zinc/48/95/86/1167489586.db2.gz BISJXZMFCLGGSI-UHFFFAOYSA-N -1 1 321.341 0.626 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]([C@H]3CCOC3)C2)n1 ZINC001592337849 1167493042 /nfs/dbraw/zinc/49/30/42/1167493042.db2.gz PSKHTDJPEHQYNB-MNOVXSKESA-N -1 1 301.354 0.828 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]([C@H]3CCOC3)C2)n1 ZINC001592337849 1167493047 /nfs/dbraw/zinc/49/30/47/1167493047.db2.gz PSKHTDJPEHQYNB-MNOVXSKESA-N -1 1 301.354 0.828 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](Cn3ccnn3)C2)n1 ZINC001592337172 1167493120 /nfs/dbraw/zinc/49/31/20/1167493120.db2.gz DBBVPFWVDOHMMJ-JTQLQIEISA-N -1 1 312.341 0.083 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](Cn3ccnn3)C2)n1 ZINC001592337172 1167493123 /nfs/dbraw/zinc/49/31/23/1167493123.db2.gz DBBVPFWVDOHMMJ-JTQLQIEISA-N -1 1 312.341 0.083 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@H]([C@H]3CCCO3)C2)n1 ZINC001592341381 1167494780 /nfs/dbraw/zinc/49/47/80/1167494780.db2.gz RXTYPZWSOZHJIK-NEPJUHHUSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@H]([C@H]3CCCO3)C2)n1 ZINC001592341381 1167494782 /nfs/dbraw/zinc/49/47/82/1167494782.db2.gz RXTYPZWSOZHJIK-NEPJUHHUSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[S@@](=O)C[C@H](C)C2)n1 ZINC001592341150 1167495195 /nfs/dbraw/zinc/49/51/95/1167495195.db2.gz MSNFVBGKWPAGKZ-IJSAXESFSA-N -1 1 307.383 0.170 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[S@@](=O)C[C@H](C)C2)n1 ZINC001592341150 1167495201 /nfs/dbraw/zinc/49/52/01/1167495201.db2.gz MSNFVBGKWPAGKZ-IJSAXESFSA-N -1 1 307.383 0.170 20 0 DCADMM Cc1nc(NCC2(CS(C)(=O)=O)CC2)cc(-c2nnn[n-]2)n1 ZINC001592385594 1167508960 /nfs/dbraw/zinc/50/89/60/1167508960.db2.gz FHUFIGHJCJAFNK-UHFFFAOYSA-N -1 1 323.382 0.202 20 0 DCADMM Cc1nc(NCC2(CS(C)(=O)=O)CC2)cc(-c2nn[n-]n2)n1 ZINC001592385594 1167508965 /nfs/dbraw/zinc/50/89/65/1167508965.db2.gz FHUFIGHJCJAFNK-UHFFFAOYSA-N -1 1 323.382 0.202 20 0 DCADMM Cc1nc(N[C@H](CO)C[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001592379695 1167509605 /nfs/dbraw/zinc/50/96/05/1167509605.db2.gz JTRBYOBZOOJBGF-UWVGGRQHSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1nc(N[C@H](CO)C[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001592379695 1167509614 /nfs/dbraw/zinc/50/96/14/1167509614.db2.gz JTRBYOBZOOJBGF-UWVGGRQHSA-N -1 1 305.342 0.307 20 0 DCADMM Cc1nc(N[C@@H]2CCN(C(C)(C)C)C2=O)cc(-c2nnn[n-]2)n1 ZINC001592383071 1167509713 /nfs/dbraw/zinc/50/97/13/1167509713.db2.gz OHEYSUSJVPNIKY-SECBINFHSA-N -1 1 316.369 0.776 20 0 DCADMM Cc1nc(N[C@@H]2CCN(C(C)(C)C)C2=O)cc(-c2nn[n-]n2)n1 ZINC001592383071 1167509718 /nfs/dbraw/zinc/50/97/18/1167509718.db2.gz OHEYSUSJVPNIKY-SECBINFHSA-N -1 1 316.369 0.776 20 0 DCADMM Cc1nc(SC[C@H]2CN(C)CCO2)cc(-c2nn[n-]n2)n1 ZINC001592398885 1167513410 /nfs/dbraw/zinc/51/34/10/1167513410.db2.gz GOZXIXQFZUPBCY-SECBINFHSA-N -1 1 307.383 0.388 20 0 DCADMM Cc1ncc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)s1 ZINC001592408474 1167516061 /nfs/dbraw/zinc/51/60/61/1167516061.db2.gz SQIVBWNYAXOWIT-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1ncc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)s1 ZINC001592408474 1167516064 /nfs/dbraw/zinc/51/60/64/1167516064.db2.gz SQIVBWNYAXOWIT-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1nn(C)cc1CC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592435475 1167521014 /nfs/dbraw/zinc/52/10/14/1167521014.db2.gz FLNYNRMCVQTGMN-UHFFFAOYSA-N -1 1 302.294 0.788 20 0 DCADMM Cc1nn(C)cc1CC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592435475 1167521020 /nfs/dbraw/zinc/52/10/20/1167521020.db2.gz FLNYNRMCVQTGMN-UHFFFAOYSA-N -1 1 302.294 0.788 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCCOCC2)c1-c1nnn[n-]1 ZINC001592433557 1167521233 /nfs/dbraw/zinc/52/12/33/1167521233.db2.gz FQEZWWUVAFZKCL-SECBINFHSA-N -1 1 305.342 0.664 20 0 DCADMM Cc1nn(C)c(NC(=O)[C@@H]2CCCOCC2)c1-c1nn[n-]n1 ZINC001592433557 1167521238 /nfs/dbraw/zinc/52/12/38/1167521238.db2.gz FQEZWWUVAFZKCL-SECBINFHSA-N -1 1 305.342 0.664 20 0 DCADMM Cc1noc(C)c1Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001592437286 1167523132 /nfs/dbraw/zinc/52/31/32/1167523132.db2.gz QWLVSMGBWJMMKD-UHFFFAOYSA-N -1 1 301.310 0.693 20 0 DCADMM Cc1nnc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)n1C ZINC001592443156 1167524027 /nfs/dbraw/zinc/52/40/27/1167524027.db2.gz XZGVFTYOGAANOM-UHFFFAOYSA-N -1 1 312.341 0.583 20 0 DCADMM Cc1nnc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)n1C ZINC001592443156 1167524036 /nfs/dbraw/zinc/52/40/36/1167524036.db2.gz XZGVFTYOGAANOM-UHFFFAOYSA-N -1 1 312.341 0.583 20 0 DCADMM Cc1nsc(NC(=O)NC2(CCO)CC2)c1-c1nnn[n-]1 ZINC001592481496 1167538393 /nfs/dbraw/zinc/53/83/93/1167538393.db2.gz QEXQPBPRRTWOHJ-UHFFFAOYSA-N -1 1 309.355 0.668 20 0 DCADMM Cc1nsc(NC(=O)NC2(CCO)CC2)c1-c1nn[n-]n1 ZINC001592481496 1167538397 /nfs/dbraw/zinc/53/83/97/1167538397.db2.gz QEXQPBPRRTWOHJ-UHFFFAOYSA-N -1 1 309.355 0.668 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccnc(CO)c1 ZINC001592502749 1167540569 /nfs/dbraw/zinc/54/05/69/1167540569.db2.gz IPIDQPYXCBOYCG-UHFFFAOYSA-N -1 1 300.278 0.908 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccnc(CO)c1 ZINC001592502749 1167540573 /nfs/dbraw/zinc/54/05/73/1167540573.db2.gz IPIDQPYXCBOYCG-UHFFFAOYSA-N -1 1 300.278 0.908 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCSC[C@H]1CCO ZINC001592500770 1167541761 /nfs/dbraw/zinc/54/17/61/1167541761.db2.gz ZWUNPFOSLYGTID-SECBINFHSA-N -1 1 323.378 0.708 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCSC[C@H]1CCO ZINC001592500770 1167541767 /nfs/dbraw/zinc/54/17/67/1167541767.db2.gz ZWUNPFOSLYGTID-SECBINFHSA-N -1 1 323.378 0.708 20 0 DCADMM Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]2CO)c(-c2nn[n-]n2)c1C ZINC001592509702 1167543474 /nfs/dbraw/zinc/54/34/74/1167543474.db2.gz WCZMSBCLPMJMTP-WCBMZHEXSA-N -1 1 320.353 0.470 20 0 DCADMM Clc1cnn([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001592537809 1167549245 /nfs/dbraw/zinc/54/92/45/1167549245.db2.gz FDLYFGWXQNBOLX-VIFPVBQESA-N -1 1 317.744 0.958 20 0 DCADMM Clc1cnn([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001592537809 1167549249 /nfs/dbraw/zinc/54/92/49/1167549249.db2.gz FDLYFGWXQNBOLX-VIFPVBQESA-N -1 1 317.744 0.958 20 0 DCADMM Cn1c(NC(=O)c2cccc(-c3nnn[n-]3)n2)nnc1C1CC1 ZINC001592555922 1167558935 /nfs/dbraw/zinc/55/89/35/1167558935.db2.gz UOIAOZNHHIVTNG-UHFFFAOYSA-N -1 1 311.309 0.520 20 0 DCADMM Cn1c(NC(=O)c2cccc(-c3nn[n-]n3)n2)nnc1C1CC1 ZINC001592555922 1167558942 /nfs/dbraw/zinc/55/89/42/1167558942.db2.gz UOIAOZNHHIVTNG-UHFFFAOYSA-N -1 1 311.309 0.520 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)n1 ZINC001592560505 1167561423 /nfs/dbraw/zinc/56/14/23/1167561423.db2.gz INQUVJNFOAQTAQ-OYNCUSHFSA-N -1 1 303.326 0.354 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)n1 ZINC001592560505 1167561430 /nfs/dbraw/zinc/56/14/30/1167561430.db2.gz INQUVJNFOAQTAQ-OYNCUSHFSA-N -1 1 303.326 0.354 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2COC[C@@H]2C2CC2)n1 ZINC001592560109 1167561807 /nfs/dbraw/zinc/56/18/07/1167561807.db2.gz YJVHWCHDDNACSN-ZJUUUORDSA-N -1 1 318.341 0.147 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2COC[C@@H]2C2CC2)n1 ZINC001592560109 1167561812 /nfs/dbraw/zinc/56/18/12/1167561812.db2.gz YJVHWCHDDNACSN-ZJUUUORDSA-N -1 1 318.341 0.147 20 0 DCADMM Cn1cc(N2CC[C@@H](Nc3cccnc3-c3nnn[n-]3)C2)cn1 ZINC001592576046 1167566026 /nfs/dbraw/zinc/56/60/26/1167566026.db2.gz NDNQNVOHXNJTOU-SNVBAGLBSA-N -1 1 311.353 0.686 20 0 DCADMM Cn1cc(N2CC[C@@H](Nc3cccnc3-c3nn[n-]n3)C2)cn1 ZINC001592576046 1167566035 /nfs/dbraw/zinc/56/60/35/1167566035.db2.gz NDNQNVOHXNJTOU-SNVBAGLBSA-N -1 1 311.353 0.686 20 0 DCADMM Cn1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592581075 1167570130 /nfs/dbraw/zinc/57/01/30/1167570130.db2.gz ZEKDGAWXXABHBS-UHFFFAOYSA-N -1 1 318.366 0.661 20 0 DCADMM Cn1nccc1[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001592606103 1167581121 /nfs/dbraw/zinc/58/11/21/1167581121.db2.gz XZQKAHFHHMBNEZ-GFCCVEGCSA-N -1 1 312.337 0.573 20 0 DCADMM Cn1nccc1[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001592606103 1167581129 /nfs/dbraw/zinc/58/11/29/1167581129.db2.gz XZQKAHFHHMBNEZ-GFCCVEGCSA-N -1 1 312.337 0.573 20 0 DCADMM F[C@@H]1CCCN(Cc2cnc3c(-c4nnn[n-]4)cnn3c2)C1 ZINC001592630732 1167586179 /nfs/dbraw/zinc/58/61/79/1167586179.db2.gz LJTBEVUVBDWVAF-SNVBAGLBSA-N -1 1 302.317 0.843 20 0 DCADMM F[C@@H]1CCCN(Cc2cnc3c(-c4nn[n-]n4)cnn3c2)C1 ZINC001592630732 1167586183 /nfs/dbraw/zinc/58/61/83/1167586183.db2.gz LJTBEVUVBDWVAF-SNVBAGLBSA-N -1 1 302.317 0.843 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2c(c1)OCCO2 ZINC001592752804 1167631250 /nfs/dbraw/zinc/63/12/50/1167631250.db2.gz FQPLLQPYZOAIDN-UHFFFAOYSA-N -1 1 313.277 0.105 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCC(=O)c2cccn21 ZINC001592753721 1167632046 /nfs/dbraw/zinc/63/20/46/1167632046.db2.gz GNNFZBJOODMSOL-VIFPVBQESA-N -1 1 312.293 0.305 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(C(F)F)nc1 ZINC001592753168 1167632122 /nfs/dbraw/zinc/63/21/22/1167632122.db2.gz PXTMXWSBLVXZAY-UHFFFAOYSA-N -1 1 306.236 0.667 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(Cl)c(F)cc1N ZINC001592758486 1167636385 /nfs/dbraw/zinc/63/63/85/1167636385.db2.gz GKDQGJPOSPZKDS-UHFFFAOYSA-N -1 1 322.691 0.709 20 0 DCADMM Nc1nc2c(s1)CN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001592762812 1167637270 /nfs/dbraw/zinc/63/72/70/1167637270.db2.gz PTHMGPOSTIYOOM-UHFFFAOYSA-N -1 1 301.339 0.258 20 0 DCADMM Nc1nccc([C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001592762357 1167637548 /nfs/dbraw/zinc/63/75/48/1167637548.db2.gz IZMHSZPFVZFFAE-SECBINFHSA-N -1 1 324.352 0.413 20 0 DCADMM Nc1nccc([C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001592762357 1167637554 /nfs/dbraw/zinc/63/75/54/1167637554.db2.gz IZMHSZPFVZFFAE-SECBINFHSA-N -1 1 324.352 0.413 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1C[C@H](O)CC(F)(F)C1 ZINC001592913677 1167663486 /nfs/dbraw/zinc/66/34/86/1167663486.db2.gz NFGGWROSHXEKCG-SECBINFHSA-N -1 1 324.291 0.033 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1C[C@H](O)CC(F)(F)C1 ZINC001592913677 1167663489 /nfs/dbraw/zinc/66/34/89/1167663489.db2.gz NFGGWROSHXEKCG-SECBINFHSA-N -1 1 324.291 0.033 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC2(COC2)C1 ZINC001592913283 1167663807 /nfs/dbraw/zinc/66/38/07/1167663807.db2.gz BDVFEGVGKRHMAI-UHFFFAOYSA-N -1 1 300.322 0.053 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC2(COC2)C1 ZINC001592913283 1167663810 /nfs/dbraw/zinc/66/38/10/1167663810.db2.gz BDVFEGVGKRHMAI-UHFFFAOYSA-N -1 1 300.322 0.053 20 0 DCADMM O=C(Cc1ccc2c(c1)CCO2)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592919633 1167665020 /nfs/dbraw/zinc/66/50/20/1167665020.db2.gz JDQWSEDDFMHTLS-UHFFFAOYSA-N -1 1 311.305 0.706 20 0 DCADMM O=C(Cc1ccccc1Cl)Cn1cc(-c2nn[n-]n2)nn1 ZINC001592924120 1167666459 /nfs/dbraw/zinc/66/64/59/1167666459.db2.gz QRCMPALOPZXWGJ-UHFFFAOYSA-N -1 1 303.713 0.923 20 0 DCADMM O=C(Cn1cncc(-c2nn[n-]n2)c1=O)[C@H]1Cc2ccccc21 ZINC001592941788 1167669482 /nfs/dbraw/zinc/66/94/82/1167669482.db2.gz WINZPIHGTBFWFH-NSHDSACASA-N -1 1 308.301 0.332 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001592941875 1167669984 /nfs/dbraw/zinc/66/99/84/1167669984.db2.gz OSDWCBIPJSQMJP-LPEHRKFASA-N -1 1 302.342 0.153 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2sccc2C1 ZINC001592939475 1167670469 /nfs/dbraw/zinc/67/04/69/1167670469.db2.gz DFGSQRKGUOOLJB-UHFFFAOYSA-N -1 1 316.350 0.105 20 0 DCADMM O=C(N[C@H](CCO)c1ccco1)c1cccc(-c2nnn[n-]2)n1 ZINC001592949919 1167672021 /nfs/dbraw/zinc/67/20/21/1167672021.db2.gz OTCGWWULOFRRBA-SECBINFHSA-N -1 1 314.305 0.708 20 0 DCADMM O=C(N[C@H](CCO)c1ccco1)c1cccc(-c2nn[n-]n2)n1 ZINC001592949919 1167672025 /nfs/dbraw/zinc/67/20/25/1167672025.db2.gz OTCGWWULOFRRBA-SECBINFHSA-N -1 1 314.305 0.708 20 0 DCADMM O=C(N[C@H]1CCn2cncc21)c1csc(-c2nn[n-]n2)c1 ZINC001592995369 1167681320 /nfs/dbraw/zinc/68/13/20/1167681320.db2.gz AXMQMBOGRPNOHP-QMMMGPOBSA-N -1 1 301.335 1.000 20 0 DCADMM O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592995195 1167681946 /nfs/dbraw/zinc/68/19/46/1167681946.db2.gz DNDMDOOOIYMNTG-HZMBPMFUSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592995195 1167681950 /nfs/dbraw/zinc/68/19/50/1167681950.db2.gz DNDMDOOOIYMNTG-HZMBPMFUSA-N -1 1 319.321 0.528 20 0 DCADMM O=C(N[C@@H]1COCCC1=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593001314 1167683827 /nfs/dbraw/zinc/68/38/27/1167683827.db2.gz JXDXOEIJDDTSKJ-SECBINFHSA-N -1 1 323.259 0.233 20 0 DCADMM O=C(N[C@@H]1COCCC1=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593001314 1167683829 /nfs/dbraw/zinc/68/38/29/1167683829.db2.gz JXDXOEIJDDTSKJ-SECBINFHSA-N -1 1 323.259 0.233 20 0 DCADMM O=C(N[C@@H]1Cc2cccc(O)c2C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593003912 1167684486 /nfs/dbraw/zinc/68/44/86/1167684486.db2.gz JJXLKCMFTAOEOQ-LLVKDONJSA-N -1 1 322.328 0.865 20 0 DCADMM O=C(N[C@@H]1Cc2cccc(O)c2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593003912 1167684490 /nfs/dbraw/zinc/68/44/90/1167684490.db2.gz JJXLKCMFTAOEOQ-LLVKDONJSA-N -1 1 322.328 0.865 20 0 DCADMM O=C(NC[C@@]1(O)CCSC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593020946 1167689066 /nfs/dbraw/zinc/68/90/66/1167689066.db2.gz HVNODZISJGIHDJ-ZDUSSCGKSA-N -1 1 323.353 0.604 20 0 DCADMM O=C(NC[C@@]1(O)CCSC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593020946 1167689071 /nfs/dbraw/zinc/68/90/71/1167689071.db2.gz HVNODZISJGIHDJ-ZDUSSCGKSA-N -1 1 323.353 0.604 20 0 DCADMM O=C(NC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593039235 1167692103 /nfs/dbraw/zinc/69/21/03/1167692103.db2.gz SZZHCMXCPBDJKY-ZETCQYMHSA-N -1 1 308.729 0.824 20 0 DCADMM O=C(NCCSCCCO)c1csc(-c2nn[n-]n2)c1 ZINC001593101061 1167709245 /nfs/dbraw/zinc/70/92/45/1167709245.db2.gz QTJDAURVUGPIEN-UHFFFAOYSA-N -1 1 313.408 0.774 20 0 DCADMM O=C(NCC[C@H]1CCCC[C@H]1O)c1ccc(-c2nnn[n-]2)nc1 ZINC001593099180 1167710050 /nfs/dbraw/zinc/71/00/50/1167710050.db2.gz JSQWQMVYMKISGD-ZWNOBZJWSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NCC[C@H]1CCCC[C@H]1O)c1ccc(-c2nn[n-]n2)nc1 ZINC001593099180 1167710055 /nfs/dbraw/zinc/71/00/55/1167710055.db2.gz JSQWQMVYMKISGD-ZWNOBZJWSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NC[C@@H]1CCCC[C@H]1O)c1cccc(-c2nnn[n-]2)n1 ZINC001593111686 1167712680 /nfs/dbraw/zinc/71/26/80/1167712680.db2.gz VZKKJKOFZRQANT-JOYOIKCWSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NC[C@@H]1CCCC[C@H]1O)c1cccc(-c2nn[n-]n2)n1 ZINC001593111686 1167712687 /nfs/dbraw/zinc/71/26/87/1167712687.db2.gz VZKKJKOFZRQANT-JOYOIKCWSA-N -1 1 302.338 0.543 20 0 DCADMM O=C(NCc1nncn1C1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001593154582 1167729901 /nfs/dbraw/zinc/72/99/01/1167729901.db2.gz OXZJKNQIPQVGHV-UHFFFAOYSA-N -1 1 316.350 0.785 20 0 DCADMM O=C(NCc1nnc(C2CC2)[nH]1)c1ccc(-c2nn[n-]n2)o1 ZINC001593152702 1167730211 /nfs/dbraw/zinc/73/02/11/1167730211.db2.gz JFXOUVSADBDCLN-UHFFFAOYSA-N -1 1 300.282 0.385 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@]1(F)CCOC1 ZINC001593196448 1167734430 /nfs/dbraw/zinc/73/44/30/1167734430.db2.gz OLGPEMFZBFSCIZ-LBPRGKRZSA-N -1 1 307.289 0.534 20 0 DCADMM O=C(Nc1ccc(Cl)nn1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593228836 1167740420 /nfs/dbraw/zinc/74/04/20/1167740420.db2.gz HVPCPZXGUISLEP-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1ccc(Cl)nn1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593228836 1167740428 /nfs/dbraw/zinc/74/04/28/1167740428.db2.gz HVPCPZXGUISLEP-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cnc2nccnc2c1 ZINC001593260573 1167747744 /nfs/dbraw/zinc/74/77/44/1167747744.db2.gz PNKPSRKRAFWWTJ-UHFFFAOYSA-N -1 1 308.265 0.180 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@H]2COC[C@H]2C1 ZINC001593256093 1167747905 /nfs/dbraw/zinc/74/79/05/1167747905.db2.gz MFKAARJDIJTJCI-VHSXEESVSA-N -1 1 315.337 0.762 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@H]2COC[C@H]2C1 ZINC001593256093 1167747909 /nfs/dbraw/zinc/74/79/09/1167747909.db2.gz MFKAARJDIJTJCI-VHSXEESVSA-N -1 1 315.337 0.762 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nnn[n-]2)n1)N1CCCCC1 ZINC001593281001 1167753697 /nfs/dbraw/zinc/75/36/97/1167753697.db2.gz SGVGQMPVVNVYKZ-UHFFFAOYSA-N -1 1 316.321 0.431 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nn[n-]n2)n1)N1CCCCC1 ZINC001593281001 1167753704 /nfs/dbraw/zinc/75/37/04/1167753704.db2.gz SGVGQMPVVNVYKZ-UHFFFAOYSA-N -1 1 316.321 0.431 20 0 DCADMM O=C(OCc1ccc[n+]([O-])c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593300014 1167764888 /nfs/dbraw/zinc/76/48/88/1167764888.db2.gz LOOIGEAKFCUOJQ-UHFFFAOYSA-N -1 1 315.264 0.996 20 0 DCADMM O=C(OCc1ccc[n+]([O-])c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593300014 1167764892 /nfs/dbraw/zinc/76/48/92/1167764892.db2.gz LOOIGEAKFCUOJQ-UHFFFAOYSA-N -1 1 315.264 0.996 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCOC[C@H]1C(F)(F)F ZINC001593338535 1167778635 /nfs/dbraw/zinc/77/86/35/1167778635.db2.gz BNRUMNZEPCZWKA-QMMMGPOBSA-N -1 1 317.227 0.863 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCOC[C@H]1C(F)(F)F ZINC001593338535 1167778640 /nfs/dbraw/zinc/77/86/40/1167778640.db2.gz BNRUMNZEPCZWKA-QMMMGPOBSA-N -1 1 317.227 0.863 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1cc[nH]n1 ZINC001593358560 1167783652 /nfs/dbraw/zinc/78/36/52/1167783652.db2.gz JSTWNGGCXQVVCR-LBPRGKRZSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1cc[nH]n1 ZINC001593358560 1167783660 /nfs/dbraw/zinc/78/36/60/1167783660.db2.gz JSTWNGGCXQVVCR-LBPRGKRZSA-N -1 1 310.321 0.962 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCOC[C@H]1C1CCC1 ZINC001593358509 1167784116 /nfs/dbraw/zinc/78/41/16/1167784116.db2.gz JFMJRNBIKOLCGM-ZDUSSCGKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCOC[C@H]1C1CCC1 ZINC001593358509 1167784122 /nfs/dbraw/zinc/78/41/22/1167784122.db2.gz JFMJRNBIKOLCGM-ZDUSSCGKSA-N -1 1 314.349 0.903 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CC(=O)Nc2ccccc21 ZINC001593382647 1167796256 /nfs/dbraw/zinc/79/62/56/1167796256.db2.gz FEAYTRHBGYZGAB-MRVPVSSYSA-N -1 1 324.304 0.654 20 0 DCADMM O=C(OCC[C@H]1CNC(=O)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593385342 1167798320 /nfs/dbraw/zinc/79/83/20/1167798320.db2.gz KFDKLSAXHYPVGS-MRVPVSSYSA-N -1 1 319.296 0.689 20 0 DCADMM O=C(OCC[C@H]1CNC(=O)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593385342 1167798329 /nfs/dbraw/zinc/79/83/29/1167798329.db2.gz KFDKLSAXHYPVGS-MRVPVSSYSA-N -1 1 319.296 0.689 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(=O)N2CCC[C@H]21 ZINC001593394993 1167807587 /nfs/dbraw/zinc/80/75/87/1167807587.db2.gz JICKETCNNCISMV-SNVBAGLBSA-N -1 1 302.294 0.254 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(=O)N2CCC[C@H]21 ZINC001593394993 1167807599 /nfs/dbraw/zinc/80/75/99/1167807599.db2.gz JICKETCNNCISMV-SNVBAGLBSA-N -1 1 302.294 0.254 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1CCC(=O)O1 ZINC001593397100 1167810437 /nfs/dbraw/zinc/81/04/37/1167810437.db2.gz DKNYHNXYSNTLSU-ZCFIWIBFSA-N -1 1 303.282 0.111 20 0 DCADMM O=C1NCCN1[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001593406805 1167817037 /nfs/dbraw/zinc/81/70/37/1167817037.db2.gz ALTCIEDMEDRZLQ-NSHDSACASA-N -1 1 314.353 0.256 20 0 DCADMM O=C1NCCN1[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001593406805 1167817048 /nfs/dbraw/zinc/81/70/48/1167817048.db2.gz ALTCIEDMEDRZLQ-NSHDSACASA-N -1 1 314.353 0.256 20 0 DCADMM O=S(=O)(Cc1csc(-c2nn[nH]n2)c1)[N-]C(CF)CF ZINC001593428419 1167835495 /nfs/dbraw/zinc/83/54/95/1167835495.db2.gz DHLKDWGNYNQPPU-UHFFFAOYSA-N -1 1 323.350 0.655 20 0 DCADMM O=S(=O)(N[C@H]1CC=CCC1)c1cccnc1-c1nn[n-]n1 ZINC001593434383 1167835814 /nfs/dbraw/zinc/83/58/14/1167835814.db2.gz PKQJEDXOUJNFCH-VIFPVBQESA-N -1 1 306.351 0.649 20 0 DCADMM O=S(=O)(NC1(C2CC2)CC1)c1cccnc1-c1nn[n-]n1 ZINC001593429784 1167836067 /nfs/dbraw/zinc/83/60/67/1167836067.db2.gz NNMFNKNHHKPKOI-UHFFFAOYSA-N -1 1 306.351 0.483 20 0 DCADMM O=S(=O)(Cc1csc(-c2nn[n-]n2)c1)N1C[C@@H]2C[C@@H]2C1 ZINC001593428516 1167838916 /nfs/dbraw/zinc/83/89/16/1167838916.db2.gz HJCXWLNISRXUKU-DTORHVGOSA-N -1 1 311.392 0.710 20 0 DCADMM O=S1(=O)CCCN1CCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001593462873 1167852939 /nfs/dbraw/zinc/85/29/39/1167852939.db2.gz HJPODHYBKSCIAR-UHFFFAOYSA-N -1 1 323.382 0.099 20 0 DCADMM O=S1(=O)CCCN1CCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001593462873 1167852945 /nfs/dbraw/zinc/85/29/45/1167852945.db2.gz HJPODHYBKSCIAR-UHFFFAOYSA-N -1 1 323.382 0.099 20 0 DCADMM O=S1(=O)CCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001593463061 1167854326 /nfs/dbraw/zinc/85/43/26/1167854326.db2.gz KQPNBJWKUUOKHZ-QMMMGPOBSA-N -1 1 309.355 0.036 20 0 DCADMM O=S1(=O)CCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001593463061 1167854332 /nfs/dbraw/zinc/85/43/32/1167854332.db2.gz KQPNBJWKUUOKHZ-QMMMGPOBSA-N -1 1 309.355 0.036 20 0 DCADMM O=S1(=O)CCCC[C@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001593462837 1167855894 /nfs/dbraw/zinc/85/58/94/1167855894.db2.gz GIRUCZZUGHRJCY-QMMMGPOBSA-N -1 1 309.355 0.036 20 0 DCADMM O=c1n(Cc2ccc(-c3nn[n-]n3)s2)nc2cnccn21 ZINC001593498372 1167878862 /nfs/dbraw/zinc/87/88/62/1167878862.db2.gz ZOLZIXXLDNQVJM-UHFFFAOYSA-N -1 1 300.307 0.181 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1nccn1CC(F)F ZINC001593494848 1167879812 /nfs/dbraw/zinc/87/98/12/1167879812.db2.gz YGIJKBLRVHTDSL-UHFFFAOYSA-N -1 1 307.264 0.538 20 0 DCADMM OC[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001593524801 1167900218 /nfs/dbraw/zinc/90/02/18/1167900218.db2.gz SBRCPIUSOIGXDD-NSHDSACASA-N -1 1 303.370 0.679 20 0 DCADMM c1c(NC[C@@H]2COCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543259 1167923907 /nfs/dbraw/zinc/92/39/07/1167923907.db2.gz IDSGJPHGQJXZGW-SECBINFHSA-N -1 1 303.326 0.361 20 0 DCADMM c1c(NC[C@@H]2COCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543259 1167923916 /nfs/dbraw/zinc/92/39/16/1167923916.db2.gz IDSGJPHGQJXZGW-SECBINFHSA-N -1 1 303.326 0.361 20 0 DCADMM c1cc(N[C@H]2CCCC23CCOCC3)nc(-c2nn[n-]n2)n1 ZINC001593558978 1167934805 /nfs/dbraw/zinc/93/48/05/1167934805.db2.gz ROVOGQNLFGFGHK-JTQLQIEISA-N -1 1 301.354 0.840 20 0 DCADMM c1cc(N2CCC[C@H]([C@@H]3CCOC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593560065 1167941816 /nfs/dbraw/zinc/94/18/16/1167941816.db2.gz WMPIEJDNSGAMCY-WDEREUQCSA-N -1 1 301.354 0.910 20 0 DCADMM c1cc(N2CCC[C@@H]([C@H]3CCOC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593560062 1167942948 /nfs/dbraw/zinc/94/29/48/1167942948.db2.gz WMPIEJDNSGAMCY-MNOVXSKESA-N -1 1 301.354 0.910 20 0 DCADMM c1cc2c(c(-c3nn[nH]n3)c1)C[N@H+](CCO[C@@H]1CCOC1)C2 ZINC001593566753 1167945422 /nfs/dbraw/zinc/94/54/22/1167945422.db2.gz PZLKNGSGIXJANG-GFCCVEGCSA-N -1 1 301.350 0.988 20 0 DCADMM c1cc2c(c(-c3nn[nH]n3)c1)C[N@H+](CCO[C@H]1CCOC1)C2 ZINC001593566754 1167945629 /nfs/dbraw/zinc/94/56/29/1167945629.db2.gz PZLKNGSGIXJANG-LBPRGKRZSA-N -1 1 301.350 0.988 20 0 DCADMM c1cnc(N[C@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)nc1 ZINC001593583984 1167950412 /nfs/dbraw/zinc/95/04/12/1167950412.db2.gz GEHZLMFUIPSVJB-JTQLQIEISA-N -1 1 309.337 0.743 20 0 DCADMM c1cnc(N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)nc1 ZINC001593583984 1167950415 /nfs/dbraw/zinc/95/04/15/1167950415.db2.gz GEHZLMFUIPSVJB-JTQLQIEISA-N -1 1 309.337 0.743 20 0 DCADMM c1cnnc(N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC001593589560 1167952436 /nfs/dbraw/zinc/95/24/36/1167952436.db2.gz CXTNUUWIUGQBEG-UHFFFAOYSA-N -1 1 324.352 0.528 20 0 DCADMM c1cnnc(N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC001593589560 1167952442 /nfs/dbraw/zinc/95/24/42/1167952442.db2.gz CXTNUUWIUGQBEG-UHFFFAOYSA-N -1 1 324.352 0.528 20 0 DCADMM c1nc(N2CCC[C@@H]([C@@H]3CCOC3)C2)cnc1-c1nnn[n-]1 ZINC001593591064 1167953552 /nfs/dbraw/zinc/95/35/52/1167953552.db2.gz KGKBYAHDRWTFSZ-GHMZBOCLSA-N -1 1 301.354 0.910 20 0 DCADMM c1nc(N2CCC[C@@H]([C@@H]3CCOC3)C2)cnc1-c1nn[n-]n1 ZINC001593591064 1167953558 /nfs/dbraw/zinc/95/35/58/1167953558.db2.gz KGKBYAHDRWTFSZ-GHMZBOCLSA-N -1 1 301.354 0.910 20 0 DCADMM c1sc(CN2CCCC3(C2)OCCO3)nc1-c1nnn[n-]1 ZINC001593596155 1167959321 /nfs/dbraw/zinc/95/93/21/1167959321.db2.gz NOJKXYKGWZVAFL-UHFFFAOYSA-N -1 1 308.367 0.662 20 0 DCADMM c1sc(CN2CCCC3(C2)OCCO3)nc1-c1nn[n-]n1 ZINC001593596155 1167959325 /nfs/dbraw/zinc/95/93/25/1167959325.db2.gz NOJKXYKGWZVAFL-UHFFFAOYSA-N -1 1 308.367 0.662 20 0 DCADMM COC[C@H](NC(=O)c1cccc2cc(=O)[nH]cc21)c1nn[n-]n1 ZINC001595889766 1167980728 /nfs/dbraw/zinc/98/07/28/1167980728.db2.gz YAWASENIQIJSOA-NSHDSACASA-N -1 1 314.305 0.571 20 0 DCADMM CS(=O)(=O)[C@H]1C[C@]1(CNCc1ccc(F)cc1F)C(=O)[O-] ZINC001599763826 1168071839 /nfs/dbraw/zinc/07/18/39/1168071839.db2.gz SUVMXTKGSAMYEH-WCQYABFASA-N -1 1 319.329 0.942 20 0 DCADMM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001600129481 1168125119 /nfs/dbraw/zinc/12/51/19/1168125119.db2.gz FEFPNLAYTLZXOZ-GHMZBOCLSA-N -1 1 308.334 0.567 20 0 DCADMM Cc1cc(S(=O)(=O)N2C[C@@H](C)NC[C@H]2C)oc1C(=O)[O-] ZINC001600293263 1168157090 /nfs/dbraw/zinc/15/70/90/1168157090.db2.gz LMKJGHPITMXECR-RKDXNWHRSA-N -1 1 302.352 0.657 20 0 DCADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001600669414 1168239494 /nfs/dbraw/zinc/23/94/94/1168239494.db2.gz LYLVKFDCSKCTOT-JTQLQIEISA-N -1 1 308.382 0.749 20 0 DCADMM Cc1nc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])c(C)o1 ZINC001600683153 1168246595 /nfs/dbraw/zinc/24/65/95/1168246595.db2.gz JDDBPKCKEHFVAX-UHFFFAOYSA-N -1 1 324.381 0.066 20 0 DCADMM Cc1nc(C(C)C)ncc1C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001600687662 1168251659 /nfs/dbraw/zinc/25/16/59/1168251659.db2.gz CIOSCDXEYXRBOF-GFCCVEGCSA-N -1 1 320.393 0.997 20 0 DCADMM Cc1ncc(S(=O)(=O)N(C)CCN(C)C)cc1C(=O)[O-] ZINC001600742521 1168272069 /nfs/dbraw/zinc/27/20/69/1168272069.db2.gz ZKZHGLXMNRIARG-UHFFFAOYSA-N -1 1 301.368 0.270 20 0 DCADMM Cc1nn(C)cc1CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001600778752 1168290956 /nfs/dbraw/zinc/29/09/56/1168290956.db2.gz OTUOAGVKLMNHPF-OAHLLOKOSA-N -1 1 308.382 0.090 20 0 DCADMM Cn1c(C(=O)[O-])ccc1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC001600905658 1168501875 /nfs/dbraw/zinc/50/18/75/1168501875.db2.gz PTCYTPGRVIYJAX-BXUZGUMPSA-N -1 1 321.377 0.395 20 0 DCADMM CN1CC(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)=NC1=O ZINC001600928307 1168511763 /nfs/dbraw/zinc/51/17/63/1168511763.db2.gz CMZSWXKTQPDJMQ-AWEZNQCLSA-N -1 1 304.306 0.641 20 0 DCADMM Cn1cc(N2CC[C@@H](N3CCC[C@](C)(C(=O)[O-])C3)C2=O)cn1 ZINC001600960974 1168533866 /nfs/dbraw/zinc/53/38/66/1168533866.db2.gz HDCYGQZYPKSUBV-DOMZBBRYSA-N -1 1 306.366 0.712 20 0 DCADMM NCC(=O)NCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001601181141 1168626499 /nfs/dbraw/zinc/62/64/99/1168626499.db2.gz FPFLZIUQFAIBEY-UHFFFAOYSA-N -1 1 321.358 0.291 20 0 DCADMM 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CC(C)[C@H](Nc1cc(-c2nnn[n-]2)ncn1)C(=O)N1CCCC1 ZINC001609104526 1170809077 /nfs/dbraw/zinc/80/90/77/1170809077.db2.gz WUUCXEAYPZWGCJ-LBPRGKRZSA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)[C@H](Nc1cc(-c2nn[n-]n2)ncn1)C(=O)N1CCCC1 ZINC001609104526 1170809081 /nfs/dbraw/zinc/80/90/81/1170809081.db2.gz WUUCXEAYPZWGCJ-LBPRGKRZSA-N -1 1 316.369 0.716 20 0 DCADMM CC(C)OC[C@@H](O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001609100696 1170810121 /nfs/dbraw/zinc/81/01/21/1170810121.db2.gz BBVKIBUKKOOMTE-NSHDSACASA-N -1 1 319.365 0.303 20 0 DCADMM C[C@@H](CCNC(=O)c1cccc(-c2nn[n-]n2)n1)[S@](C)=O ZINC001609111503 1170812509 /nfs/dbraw/zinc/81/25/09/1170812509.db2.gz VUJGEVVNZNQMFJ-PPRQPISWSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@@H](CCNC(=O)c1cccc(-c2nnn[n-]2)n1)[S@](C)=O ZINC001609111503 1170812506 /nfs/dbraw/zinc/81/25/06/1170812506.db2.gz VUJGEVVNZNQMFJ-PPRQPISWSA-N -1 1 308.367 0.149 20 0 DCADMM C[C@@H](Cn1cncn1)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609116333 1170815956 /nfs/dbraw/zinc/81/59/56/1170815956.db2.gz IBSXKPLMBZVKDH-QMMMGPOBSA-N -1 1 314.313 0.063 20 0 DCADMM C[C@@H](Cn1cncn1)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609116333 1170815966 /nfs/dbraw/zinc/81/59/66/1170815966.db2.gz IBSXKPLMBZVKDH-QMMMGPOBSA-N -1 1 314.313 0.063 20 0 DCADMM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1cc[nH]c(=O)c1 ZINC001609121631 1170817026 /nfs/dbraw/zinc/81/70/26/1170817026.db2.gz BELHPLFJFADYFK-QMMMGPOBSA-N -1 1 311.305 0.853 20 0 DCADMM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1cc[nH]c(=O)c1 ZINC001609121631 1170817029 /nfs/dbraw/zinc/81/70/29/1170817029.db2.gz BELHPLFJFADYFK-QMMMGPOBSA-N -1 1 311.305 0.853 20 0 DCADMM C[C@@](O)(CNC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001609127284 1170818165 /nfs/dbraw/zinc/81/81/65/1170818165.db2.gz BMPVOQUXPLTDQB-MRXNPFEDSA-N -1 1 324.344 0.899 20 0 DCADMM C[C@@](O)(CNC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001609127284 1170818167 /nfs/dbraw/zinc/81/81/67/1170818167.db2.gz BMPVOQUXPLTDQB-MRXNPFEDSA-N -1 1 324.344 0.899 20 0 DCADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(=O)NCC(F)(F)F ZINC001609126928 1170818209 /nfs/dbraw/zinc/81/82/09/1170818209.db2.gz ONXUNNPSIIVAKH-YFKPBYRVSA-N -1 1 316.247 0.136 20 0 DCADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(=O)NCC(F)(F)F ZINC001609126928 1170818214 /nfs/dbraw/zinc/81/82/14/1170818214.db2.gz ONXUNNPSIIVAKH-YFKPBYRVSA-N -1 1 316.247 0.136 20 0 DCADMM CC1(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001609150127 1170829681 /nfs/dbraw/zinc/82/96/81/1170829681.db2.gz NFGQGHOPVCBRQW-UHFFFAOYSA-N -1 1 319.373 0.480 20 0 DCADMM C[C@@H]1CC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001609162015 1170835558 /nfs/dbraw/zinc/83/55/58/1170835558.db2.gz ZPVNMUAAYMCLDS-BBBLOLIVSA-N -1 1 304.358 0.399 20 0 DCADMM CC[C@@H](Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O)OC ZINC001609192164 1170860367 /nfs/dbraw/zinc/86/03/67/1170860367.db2.gz XLSTWDPXBNNYQT-VIFPVBQESA-N -1 1 307.310 0.240 20 0 DCADMM CCC[C@@H]1CCC[C@@H]1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609206673 1170870043 /nfs/dbraw/zinc/87/00/43/1170870043.db2.gz HSIHIONXGRLILJ-MNOVXSKESA-N -1 1 318.385 0.791 20 0 DCADMM CCCn1c(CO)nnc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC001609218537 1170874072 /nfs/dbraw/zinc/87/40/72/1170874072.db2.gz POXICBTWRIJVIS-UHFFFAOYSA-N -1 1 319.354 0.302 20 0 DCADMM CCCn1c(CO)nnc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC001609218537 1170874081 /nfs/dbraw/zinc/87/40/81/1170874081.db2.gz POXICBTWRIJVIS-UHFFFAOYSA-N -1 1 319.354 0.302 20 0 DCADMM CCOC(=O)N1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001609234183 1170891466 /nfs/dbraw/zinc/89/14/66/1170891466.db2.gz UUEWCKIOZPIAJC-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM CCOC(=O)N1CC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001609234183 1170891477 /nfs/dbraw/zinc/89/14/77/1170891477.db2.gz UUEWCKIOZPIAJC-SECBINFHSA-N -1 1 303.326 0.904 20 0 DCADMM CCO[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1SC ZINC001609241695 1170893532 /nfs/dbraw/zinc/89/35/32/1170893532.db2.gz OKXGCJXXJZSUBK-MRTMQBJTSA-N -1 1 307.383 0.978 20 0 DCADMM CCO[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1SC ZINC001609241695 1170893542 /nfs/dbraw/zinc/89/35/42/1170893542.db2.gz OKXGCJXXJZSUBK-MRTMQBJTSA-N -1 1 307.383 0.978 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)o1)[C@H]1CC(C)(C)OC1=O ZINC001609262576 1170902254 /nfs/dbraw/zinc/90/22/54/1170902254.db2.gz CDQBTKDWSIRXET-ZETCQYMHSA-N -1 1 305.294 0.626 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)[C@H]1CC(C)(C)OC1=O ZINC001609262576 1170902257 /nfs/dbraw/zinc/90/22/57/1170902257.db2.gz CDQBTKDWSIRXET-ZETCQYMHSA-N -1 1 305.294 0.626 20 0 DCADMM CN(CC(=O)NC1CC1)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609271295 1170905873 /nfs/dbraw/zinc/90/58/73/1170905873.db2.gz IOKDUQNTESJFKQ-UHFFFAOYSA-N -1 1 318.312 0.356 20 0 DCADMM CN(CC(=O)NC1CC1)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609271295 1170905874 /nfs/dbraw/zinc/90/58/74/1170905874.db2.gz IOKDUQNTESJFKQ-UHFFFAOYSA-N -1 1 318.312 0.356 20 0 DCADMM CN([C@H]1CCCOC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609270961 1170906044 /nfs/dbraw/zinc/90/60/44/1170906044.db2.gz NRMZICFWUCWCSX-QMMMGPOBSA-N -1 1 313.339 0.259 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H]1C ZINC001609296407 1170920524 /nfs/dbraw/zinc/92/05/24/1170920524.db2.gz ILVMZMVFAGFBBB-IUCAKERBSA-N -1 1 316.321 0.285 20 0 DCADMM COC(=O)[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H]1C ZINC001609296407 1170920529 /nfs/dbraw/zinc/92/05/29/1170920529.db2.gz ILVMZMVFAGFBBB-IUCAKERBSA-N -1 1 316.321 0.285 20 0 DCADMM COC1CCC([N@@H+](C)Cn2cccc(-c3nnn[n-]3)c2=O)CC1 ZINC001609313695 1170930590 /nfs/dbraw/zinc/93/05/90/1170930590.db2.gz PZRZXCQSIDGZME-UHFFFAOYSA-N -1 1 318.381 0.875 20 0 DCADMM COC1CCC(N(C)Cn2cccc(-c3nnn[n-]3)c2=O)CC1 ZINC001609313695 1170930609 /nfs/dbraw/zinc/93/06/09/1170930609.db2.gz PZRZXCQSIDGZME-UHFFFAOYSA-N -1 1 318.381 0.875 20 0 DCADMM COCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609324012 1170936768 /nfs/dbraw/zinc/93/67/68/1170936768.db2.gz LYPVRVOSHDPGDU-UHFFFAOYSA-N -1 1 315.330 0.273 20 0 DCADMM C[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)N(C)C ZINC001609374841 1170954942 /nfs/dbraw/zinc/95/49/42/1170954942.db2.gz CCSSBLCKDLZGNQ-SCSAIBSYSA-N -1 1 301.763 0.865 20 0 DCADMM C[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)N(C)C ZINC001609374841 1170954944 /nfs/dbraw/zinc/95/49/44/1170954944.db2.gz CCSSBLCKDLZGNQ-SCSAIBSYSA-N -1 1 301.763 0.865 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC(C)(C)OCCO ZINC001609467866 1170989008 /nfs/dbraw/zinc/98/90/08/1170989008.db2.gz WDXQNIALDZVCOP-UHFFFAOYSA-N -1 1 309.326 0.285 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC(C)(C)OCCO ZINC001609467866 1170989010 /nfs/dbraw/zinc/98/90/10/1170989010.db2.gz WDXQNIALDZVCOP-UHFFFAOYSA-N -1 1 309.326 0.285 20 0 DCADMM Cc1onc(CC(=O)N[C@@]2(C)CCO[C@@H]2C)c1-c1nnn[n-]1 ZINC001609470997 1170990183 /nfs/dbraw/zinc/99/01/83/1170990183.db2.gz JEWFWLVAJHAKDP-OQPBUACISA-N -1 1 306.326 0.389 20 0 DCADMM Cc1onc(CC(=O)N[C@@]2(C)CCO[C@@H]2C)c1-c1nn[n-]n1 ZINC001609470997 1170990186 /nfs/dbraw/zinc/99/01/86/1170990186.db2.gz JEWFWLVAJHAKDP-OQPBUACISA-N -1 1 306.326 0.389 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1CCC(C(N)=O)CC1 ZINC001609467557 1170990765 /nfs/dbraw/zinc/99/07/65/1170990765.db2.gz LCFMALTVKCSAKU-UHFFFAOYSA-N -1 1 318.337 0.542 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1CCC(C(N)=O)CC1 ZINC001609467557 1170990768 /nfs/dbraw/zinc/99/07/68/1170990768.db2.gz LCFMALTVKCSAKU-UHFFFAOYSA-N -1 1 318.337 0.542 20 0 DCADMM Cn1ccc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1=O ZINC001609480108 1170993247 /nfs/dbraw/zinc/99/32/47/1170993247.db2.gz LHDNZUOCBASBMG-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM Cn1ccc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1=O ZINC001609480108 1170993251 /nfs/dbraw/zinc/99/32/51/1170993251.db2.gz LHDNZUOCBASBMG-UHFFFAOYSA-N -1 1 312.289 0.317 20 0 DCADMM NC(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001609504570 1171004116 /nfs/dbraw/zinc/00/41/16/1171004116.db2.gz YKWULICEWUPYOP-UHFFFAOYSA-N -1 1 303.326 0.620 20 0 DCADMM O=C(C[C@H]1CCCC(=O)N1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609520171 1171006216 /nfs/dbraw/zinc/00/62/16/1171006216.db2.gz HAOFJMIFALRWME-MRVPVSSYSA-N -1 1 301.310 0.259 20 0 DCADMM O=C(C[C@H]1CCCC(=O)N1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609520171 1171006224 /nfs/dbraw/zinc/00/62/24/1171006224.db2.gz HAOFJMIFALRWME-MRVPVSSYSA-N -1 1 301.310 0.259 20 0 DCADMM O=C(COc1cnc(-c2nn[n-]n2)nc1)c1c[nH]c2ncccc12 ZINC001609533677 1171011084 /nfs/dbraw/zinc/01/10/84/1171011084.db2.gz OUJGYEDMFKFYFW-UHFFFAOYSA-N -1 1 322.288 0.795 20 0 DCADMM O=C(NCCOCC(F)(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001609549923 1171018292 /nfs/dbraw/zinc/01/82/92/1171018292.db2.gz DIHJMVUTRYEMML-UHFFFAOYSA-N -1 1 316.243 0.570 20 0 DCADMM O=C(NCCOCC(F)(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001609549923 1171018298 /nfs/dbraw/zinc/01/82/98/1171018298.db2.gz DIHJMVUTRYEMML-UHFFFAOYSA-N -1 1 316.243 0.570 20 0 DCADMM O=C(NCCOCC(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001609550177 1171018486 /nfs/dbraw/zinc/01/84/86/1171018486.db2.gz VTVFPRWAQRGZJC-UHFFFAOYSA-N -1 1 303.294 0.940 20 0 DCADMM O=C(NCCOCC(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001609550177 1171018493 /nfs/dbraw/zinc/01/84/93/1171018493.db2.gz VTVFPRWAQRGZJC-UHFFFAOYSA-N -1 1 303.294 0.940 20 0 DCADMM O=C(NCCCn1ccnn1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609548511 1171019406 /nfs/dbraw/zinc/01/94/06/1171019406.db2.gz KYCWAQUHZZDBOL-UHFFFAOYSA-N -1 1 314.313 0.065 20 0 DCADMM O=C(NCCCn1ccnn1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609548511 1171019410 /nfs/dbraw/zinc/01/94/10/1171019410.db2.gz KYCWAQUHZZDBOL-UHFFFAOYSA-N -1 1 314.313 0.065 20 0 DCADMM O=C(N[C@H](CO)c1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001609560986 1171021180 /nfs/dbraw/zinc/02/11/80/1171021180.db2.gz YRHZHRADCZMTTQ-CYBMUJFWSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(N[C@H](CO)c1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001609560986 1171021185 /nfs/dbraw/zinc/02/11/85/1171021185.db2.gz YRHZHRADCZMTTQ-CYBMUJFWSA-N -1 1 310.317 0.725 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](O)C12CCCC2 ZINC001609581416 1171027936 /nfs/dbraw/zinc/02/79/36/1171027936.db2.gz FRQARJLEORTUHD-GFCCVEGCSA-N -1 1 314.349 0.781 20 0 DCADMM 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Cc1cc(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)cnn1 ZINC001045012969 752995027 /nfs/dbraw/zinc/99/50/27/752995027.db2.gz ASOXUNQGBQTUGC-NSHDSACASA-N -1 1 317.353 0.003 20 0 DCADMM O=C(C1C=CC=CC=C1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045055821 753024135 /nfs/dbraw/zinc/02/41/35/753024135.db2.gz WNFJWWRPJYFUHY-ZDUSSCGKSA-N -1 1 315.377 0.889 20 0 DCADMM O=C(N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1)C1(C2CC2)CC1 ZINC001045083469 753039887 /nfs/dbraw/zinc/03/98/87/753039887.db2.gz UCNPRNFZHYUDSF-NSHDSACASA-N -1 1 305.382 0.781 20 0 DCADMM O=C(N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1)C1(CF)CCC1 ZINC001045210044 753094016 /nfs/dbraw/zinc/09/40/16/753094016.db2.gz UYTRYAWHSXZKTO-JTQLQIEISA-N -1 1 311.361 0.731 20 0 DCADMM C[C@@H]1C[C@@H]1C(=O)NC1(C)CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001045352706 753155994 /nfs/dbraw/zinc/15/59/94/753155994.db2.gz JDFBVZHPWXGZFE-MNOVXSKESA-N -1 1 307.398 0.235 20 0 DCADMM O=C(C1CCC1)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078310449 753180987 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DCADMM CCN1C[C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)[C@@H](O)C1 ZINC001083826992 753923515 /nfs/dbraw/zinc/92/35/15/753923515.db2.gz VLRKKBUXMLKTGB-NEPJUHHUSA-N -1 1 302.334 0.130 20 0 DCADMM CC(F)(F)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1n[nH]c(=O)[n-]1)C2 ZINC001047002710 754061528 /nfs/dbraw/zinc/06/15/28/754061528.db2.gz JQGWXODTONIQER-CIUDSAMLSA-N -1 1 315.324 0.635 20 0 DCADMM CC(C)CC(C)(C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001113516125 762347578 /nfs/dbraw/zinc/34/75/78/762347578.db2.gz FUXSVACGXYOAGO-UHFFFAOYSA-N -1 1 323.441 0.825 20 0 DCADMM CCOCCC(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062838965 755000352 /nfs/dbraw/zinc/00/03/52/755000352.db2.gz BORDJCVOXZAXTH-UHFFFAOYSA-N -1 1 321.377 0.983 20 0 DCADMM O=C(c1ccc2oc(=O)nc-2[n-]1)N1C[C@H]2CN(CCF)C[C@H]2C1 ZINC001049169256 755161890 /nfs/dbraw/zinc/16/18/90/755161890.db2.gz LZWDWSOBCOELFK-AOOOYVTPSA-N -1 1 320.324 0.902 20 0 DCADMM CC(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1nc(=O)n(C)[n-]1 ZINC001049336771 755226247 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309.414 0.481 20 0 DCADMM C[C@H](CNC(=O)[C@H]1CCC1(C)C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC001381564990 966540468 /nfs/dbraw/zinc/54/04/68/966540468.db2.gz MYUCOEPIHBGFTJ-GHMZBOCLSA-N -1 1 309.414 0.481 20 0 DCADMM CCCC1(C(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)CC1 ZINC001381573197 966544941 /nfs/dbraw/zinc/54/49/41/966544941.db2.gz KGQPGYUCMNAQIS-NSHDSACASA-N -1 1 309.414 0.625 20 0 DCADMM CO[C@@H](C)CC(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001381960340 966815807 /nfs/dbraw/zinc/81/58/07/966815807.db2.gz HHBCHMYLQDCREP-QWRGUYRKSA-N -1 1 309.366 0.789 20 0 DCADMM CC(C)CO[C@H](C)C(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001382066133 966908655 /nfs/dbraw/zinc/90/86/55/966908655.db2.gz KZEQXPVWFXMFMX-WDEREUQCSA-N -1 1 313.402 0.508 20 0 DCADMM Cc1nc[nH]c1C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001382100387 966940474 /nfs/dbraw/zinc/94/04/74/966940474.db2.gz YINUFTWBTHSOTN-VIFPVBQESA-N -1 1 317.349 0.709 20 0 DCADMM CCC[C@@H](NS(=O)(=O)c1occc1C(=O)OC)C(=O)[O-] ZINC001605355444 1169902099 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C[C@@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1cnn(C)c1 ZINC000537504539 416556413 /nfs/dbraw/zinc/55/64/13/416556413.db2.gz MQBRYWSQJZELFQ-MRVPVSSYSA-N -1 1 324.362 0.515 20 0 DCADMM CCCC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000541841335 416614763 /nfs/dbraw/zinc/61/47/63/416614763.db2.gz DBAWMBSLQTTWDV-GHMZBOCLSA-N -1 1 308.386 0.553 20 0 DCADMM O=C(NC1CCC2(CC1)NC(=O)NC2=O)c1ccc([O-])cc1F ZINC000436698628 416567087 /nfs/dbraw/zinc/56/70/87/416567087.db2.gz QXESDPJQFIHIFR-UHFFFAOYSA-N -1 1 321.308 0.782 20 0 DCADMM O=C(C(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1ccc([O-])cc1 ZINC000436672464 416567173 /nfs/dbraw/zinc/56/71/73/416567173.db2.gz LUIWQRDWRRPOQV-CYBMUJFWSA-N -1 1 302.330 0.845 20 0 DCADMM O=C(NCCN1CCNC(=O)C1)c1ccc2ccccc2c1[O-] ZINC000436674392 416568654 /nfs/dbraw/zinc/56/86/54/416568654.db2.gz HSSKKBDTOVOYRV-UHFFFAOYSA-N -1 1 313.357 0.707 20 0 DCADMM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539327430 416579424 /nfs/dbraw/zinc/57/94/24/416579424.db2.gz 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CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000632064471 416892170 /nfs/dbraw/zinc/89/21/70/416892170.db2.gz PVNPFFYNHQTHBA-SECBINFHSA-N -1 1 316.379 0.403 20 0 DCADMM CC(=O)Nc1ccccc1CC(=O)NC(C)(C)c1nn[n-]n1 ZINC000444282183 416826847 /nfs/dbraw/zinc/82/68/47/416826847.db2.gz BSAKEWBPSIXVLN-UHFFFAOYSA-N -1 1 302.338 0.752 20 0 DCADMM Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000429658054 287339859 /nfs/dbraw/zinc/33/98/59/287339859.db2.gz HPIACCBKHKQVHD-MRVPVSSYSA-N -1 1 303.322 0.308 20 0 DCADMM COc1ccc([O-])c(S(=O)(=O)N2CC[C@H](n3cncn3)C2)c1 ZINC000632239071 416973896 /nfs/dbraw/zinc/97/38/96/416973896.db2.gz ZDTRMTVARYNPCD-JTQLQIEISA-N -1 1 324.362 0.628 20 0 DCADMM CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cc(OC)ccc1[O-] ZINC000632267643 416990420 /nfs/dbraw/zinc/99/04/20/416990420.db2.gz DDGZWKGDTADLJE-VIFPVBQESA-N -1 1 316.379 0.546 20 0 DCADMM Cc1cc(S(=O)(=O)[N-][C@H](CO)C2CCOCC2)sn1 ZINC000632299185 417011337 /nfs/dbraw/zinc/01/13/37/417011337.db2.gz 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417296635 /nfs/dbraw/zinc/29/66/35/417296635.db2.gz FBHBNMRGSLVIMT-UHFFFAOYSA-N -1 1 324.362 0.672 20 0 DCADMM Cc1ccccc1COCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000621791669 417296642 /nfs/dbraw/zinc/29/66/42/417296642.db2.gz FBHBNMRGSLVIMT-UHFFFAOYSA-N -1 1 324.362 0.672 20 0 DCADMM CN(C)C(=O)C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000450988910 417290876 /nfs/dbraw/zinc/29/08/76/417290876.db2.gz CHSHEMXLHVMWCG-UHFFFAOYSA-N -1 1 300.311 0.938 20 0 DCADMM O=C(CN1CCC[C@@]2(C1)OCc1ccccc12)Nc1nnn[n-]1 ZINC000569434634 417249600 /nfs/dbraw/zinc/24/96/00/417249600.db2.gz RLPIPMMQEALWRR-HNNXBMFYSA-N -1 1 314.349 0.660 20 0 DCADMM O=C(CN1CCC[C@@]2(C1)OCc1ccccc12)Nc1nn[n-]n1 ZINC000569434634 417249608 /nfs/dbraw/zinc/24/96/08/417249608.db2.gz RLPIPMMQEALWRR-HNNXBMFYSA-N -1 1 314.349 0.660 20 0 DCADMM O=C([C@@H]1CCc2cncn2C1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000569813417 417297215 /nfs/dbraw/zinc/29/72/15/417297215.db2.gz FOMYGTTVOSOZIV-GHMZBOCLSA-N -1 1 317.349 0.940 20 0 DCADMM 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1159797360 /nfs/dbraw/zinc/79/73/60/1159797360.db2.gz AEJLWAWJLDGGIP-LBPRGKRZSA-N -1 1 302.371 0.047 20 0 DCADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](OC)C2)o1 ZINC000330992290 534240994 /nfs/dbraw/zinc/24/09/94/534240994.db2.gz KWDYCLIUOMLQQR-BDAKNGLRSA-N -1 1 303.336 0.912 20 0 DCADMM CCN(Cc1nc(=O)n(C)[n-]1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000543450008 517653812 /nfs/dbraw/zinc/65/38/12/517653812.db2.gz WQTXHXYRUGUPCO-UHFFFAOYSA-N -1 1 314.349 0.779 20 0 DCADMM CC(C)c1cc(C(=O)[N-]c2ncn(CC(=O)N(C)C)n2)no1 ZINC000158993077 519832783 /nfs/dbraw/zinc/83/27/83/519832783.db2.gz BQTGYPAHFDEBGU-UHFFFAOYSA-N -1 1 306.326 0.730 20 0 DCADMM CCC[C@@H](NC(=O)CNC(=O)OCC(F)(F)F)c1nn[n-]n1 ZINC000267621893 520731715 /nfs/dbraw/zinc/73/17/15/520731715.db2.gz IMGGPUXODOBJMN-ZCFIWIBFSA-N -1 1 324.263 0.446 20 0 DCADMM CCC[C@@H](NC(=O)c1nc2nccc(C)n2n1)c1nn[n-]n1 ZINC000267713614 520756221 /nfs/dbraw/zinc/75/62/21/520756221.db2.gz TTZOFHBUWLHYNM-MRVPVSSYSA-N -1 1 301.314 0.217 20 0 DCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@H]2O)o1 ZINC000266285634 522278133 /nfs/dbraw/zinc/27/81/33/522278133.db2.gz PKPQXJKGWINTKW-DTWKUNHWSA-N -1 1 302.352 0.079 20 0 DCADMM CS(=O)(=O)N1CCCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000154620805 525163631 /nfs/dbraw/zinc/16/36/31/525163631.db2.gz UWTSYIINNYTPOG-UHFFFAOYSA-N -1 1 316.354 0.639 20 0 DCADMM CC(C)c1ncc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)cn1 ZINC000285307369 534902366 /nfs/dbraw/zinc/90/23/66/534902366.db2.gz RWZFJLDGXPLYQE-VIFPVBQESA-N -1 1 300.384 0.818 20 0 DCADMM O=C(c1ncccc1[O-])N(CCO)CCOCC(F)(F)F ZINC000132499722 526921525 /nfs/dbraw/zinc/92/15/25/526921525.db2.gz RLNJZMLSMVFHJM-UHFFFAOYSA-N -1 1 308.256 0.801 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@]1(C)CCOC1 ZINC000157646623 527116164 /nfs/dbraw/zinc/11/61/64/527116164.db2.gz RAGMOMWNCYBDLK-HNNXBMFYSA-N -1 1 304.350 0.477 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000190632217 527116582 /nfs/dbraw/zinc/11/65/82/527116582.db2.gz AJDIBPACGIUFPJ-NEPJUHHUSA-N -1 1 318.377 0.458 20 0 DCADMM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)nc1Cl ZINC000269716132 527288318 /nfs/dbraw/zinc/28/83/18/527288318.db2.gz OKUKGELTYPEJLQ-SCSAIBSYSA-N -1 1 307.681 0.275 20 0 DCADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc3n[n-]c(=S)n3c2)[C@H]1OC ZINC000295019248 527933383 /nfs/dbraw/zinc/93/33/83/527933383.db2.gz UJDPCVQYXZTBKT-HOSYDEDBSA-N -1 1 322.390 0.940 20 0 DCADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)[C@H]1CN(C)CCO1 ZINC000125813610 545765667 /nfs/dbraw/zinc/76/56/67/545765667.db2.gz XSHGEMYFLUFXST-BXKDBHETSA-N -1 1 320.361 0.962 20 0 DCADMM CCn1nccc1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000131400158 545791384 /nfs/dbraw/zinc/79/13/84/545791384.db2.gz FOKFIAJTGPCTEV-UHFFFAOYSA-N -1 1 314.349 0.786 20 0 DCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@]1(O)CCSC1 ZINC000154983984 545841722 /nfs/dbraw/zinc/84/17/22/545841722.db2.gz GDPUYECFWQMPFJ-CQSZACIVSA-N -1 1 322.390 0.124 20 0 DCADMM CNS(=O)(=O)c1cc(NC(=O)CCc2cnc[nH]2)ccc1[O-] ZINC000357334132 546186552 /nfs/dbraw/zinc/18/65/52/546186552.db2.gz HYIIUSWYPAKWIG-UHFFFAOYSA-N -1 1 324.362 0.595 20 0 DCADMM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000668286131 546721632 /nfs/dbraw/zinc/72/16/32/546721632.db2.gz KRGMIPJOKLJVCX-NWDGAFQWSA-N -1 1 307.318 0.798 20 0 DCADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2COC[C@H]2OC)c(F)c1 ZINC000668287274 546722004 /nfs/dbraw/zinc/72/20/04/546722004.db2.gz QKDLCJZGZKCVLZ-WDEREUQCSA-N -1 1 323.317 0.666 20 0 DCADMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@@H]1CCCc2nn[nH]c21 ZINC000668872870 546866741 /nfs/dbraw/zinc/86/67/41/546866741.db2.gz XJIQZAADRRYJHU-MRVPVSSYSA-N -1 1 302.342 0.323 20 0 DCADMM CN(C)c1n[nH]c(C2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC000670398544 547075338 /nfs/dbraw/zinc/07/53/38/547075338.db2.gz YMTKXUYVCPFIAG-UHFFFAOYSA-N -1 1 316.365 0.991 20 0 DCADMM O=C(CNC(=O)c1ccccc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677047546 547841581 /nfs/dbraw/zinc/84/15/81/547841581.db2.gz AYJXBZBVMSKDFL-GFCCVEGCSA-N -1 1 314.349 0.336 20 0 DCADMM O=C(CCn1ccccc1=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677047560 547841674 /nfs/dbraw/zinc/84/16/74/547841674.db2.gz CABLZPAZYJETPI-LLVKDONJSA-N -1 1 302.338 0.158 20 0 DCADMM COCc1nc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cs1 ZINC000677048049 547841703 /nfs/dbraw/zinc/84/17/03/547841703.db2.gz PIZXENQGCVQJQA-MRVPVSSYSA-N -1 1 308.367 0.822 20 0 DCADMM NC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n[nH]1 ZINC000677645066 547894000 /nfs/dbraw/zinc/89/40/00/547894000.db2.gz WBVLSEMKDZCQHG-UHFFFAOYSA-N -1 1 306.347 0.798 20 0 DCADMM CN(C)[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)c1cccs1 ZINC000677948405 547926256 /nfs/dbraw/zinc/92/62/56/547926256.db2.gz UZQHTDYDKNZBNK-ZETCQYMHSA-N -1 1 309.351 0.377 20 0 DCADMM CC(=O)NCCN(C(=O)[C@H]1CCCc2[nH]ncc21)[C@@H](C)C(=O)[O-] ZINC000679655089 548080521 /nfs/dbraw/zinc/08/05/21/548080521.db2.gz OHNLGPWCKKEOHN-ONGXEEELSA-N -1 1 322.365 0.267 20 0 DCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc2nc[nH]c2n1 ZINC000680476806 548146221 /nfs/dbraw/zinc/14/62/21/548146221.db2.gz IKAAWOBCGGTFEU-LBPRGKRZSA-N -1 1 320.316 0.990 20 0 DCADMM COCc1cncc(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000680928453 548184766 /nfs/dbraw/zinc/18/47/66/548184766.db2.gz CSSQBKFJRKFDKC-UHFFFAOYSA-N -1 1 302.338 0.940 20 0 DCADMM CN(CCCNC(=O)c1ccc([O-])c(F)c1)S(C)(=O)=O ZINC000681018266 548193584 /nfs/dbraw/zinc/19/35/84/548193584.db2.gz UVHGTQKYAJMWEF-UHFFFAOYSA-N -1 1 304.343 0.543 20 0 DCADMM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681065861 548197053 /nfs/dbraw/zinc/19/70/53/548197053.db2.gz IECHZLFFYKGCBV-SNVBAGLBSA-N -1 1 316.354 0.685 20 0 DCADMM CN(CCCNC(=O)c1ccc([O-])cc1F)S(C)(=O)=O ZINC000681510173 548256160 /nfs/dbraw/zinc/25/61/60/548256160.db2.gz FQTUXYIQUYWTOB-UHFFFAOYSA-N -1 1 304.343 0.543 20 0 DCADMM NS(=O)(=O)c1cc(C(=O)Nc2c([O-])cccc2F)ccn1 ZINC000681552533 548261793 /nfs/dbraw/zinc/26/17/93/548261793.db2.gz AGRAFPNLGWKIBD-UHFFFAOYSA-N -1 1 311.294 0.826 20 0 DCADMM CCOCCOC[C@H](O)CNC(=O)c1ccc([O-])c(F)c1 ZINC000682994641 548446077 /nfs/dbraw/zinc/44/60/77/548446077.db2.gz KEYUHIHCGLBJMG-LLVKDONJSA-N -1 1 301.314 0.675 20 0 DCADMM O=C(c1cc2n(n1)CCCO2)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000683331353 548468244 /nfs/dbraw/zinc/46/82/44/548468244.db2.gz YCJHFNWHJBIUFF-SECBINFHSA-N -1 1 303.326 0.199 20 0 DCADMM CCO[C@@H]1C[C@@H]1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000683516929 548493971 /nfs/dbraw/zinc/49/39/71/548493971.db2.gz LDXIJKINHMXZJA-NWDGAFQWSA-N -1 1 304.350 0.888 20 0 DCADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000684080205 548564172 /nfs/dbraw/zinc/56/41/72/548564172.db2.gz UXBTVNLRKXAPDR-AWEZNQCLSA-N -1 1 307.281 0.346 20 0 DCADMM C[C@@H](CS(C)(=O)=O)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736046217 598831547 /nfs/dbraw/zinc/83/15/47/598831547.db2.gz GVLXAJGYCVUQRG-LURJTMIESA-N -1 1 316.774 0.760 20 0 DCADMM C[C@@H](CS(C)(=O)=O)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736046217 598831548 /nfs/dbraw/zinc/83/15/48/598831548.db2.gz GVLXAJGYCVUQRG-LURJTMIESA-N -1 1 316.774 0.760 20 0 DCADMM C[C@H]1CCCC[C@H]1OCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736268199 598841067 /nfs/dbraw/zinc/84/10/67/598841067.db2.gz DGXRYXCAAXWDLB-WCBMZHEXSA-N -1 1 305.342 0.881 20 0 DCADMM CC(C)[C@@H](C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735699645 598876580 /nfs/dbraw/zinc/87/65/80/598876580.db2.gz CGSAFAVETQGPOE-VIFPVBQESA-N -1 1 310.383 0.832 20 0 DCADMM CC(C)[C@@H](C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735699645 598876581 /nfs/dbraw/zinc/87/65/81/598876581.db2.gz CGSAFAVETQGPOE-VIFPVBQESA-N -1 1 310.383 0.832 20 0 DCADMM O=c1c(-c2nn[n-]n2)cccn1CCCOCC(F)(F)F ZINC000738372136 598979998 /nfs/dbraw/zinc/97/99/98/598979998.db2.gz OKZPHXMIZJGFBR-UHFFFAOYSA-N -1 1 303.244 0.997 20 0 DCADMM CC[C@@H](C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC000736327868 598981324 /nfs/dbraw/zinc/98/13/24/598981324.db2.gz GMMHKJGDOUYGMD-KCJUWKMLSA-N -1 1 318.337 0.579 20 0 DCADMM CC[C@@H](C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC000736327868 598981325 /nfs/dbraw/zinc/98/13/25/598981325.db2.gz GMMHKJGDOUYGMD-KCJUWKMLSA-N -1 1 318.337 0.579 20 0 DCADMM CN(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000736781313 598986070 /nfs/dbraw/zinc/98/60/70/598986070.db2.gz XWZCOQCMWXOUJK-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CN(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000736781313 598986071 /nfs/dbraw/zinc/98/60/71/598986071.db2.gz XWZCOQCMWXOUJK-UHFFFAOYSA-N -1 1 310.321 0.975 20 0 DCADMM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736323937 598998708 /nfs/dbraw/zinc/99/87/08/598998708.db2.gz FUCARLGNXBSKBO-DTWKUNHWSA-N -1 1 317.353 0.295 20 0 DCADMM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736323937 598998710 /nfs/dbraw/zinc/99/87/10/598998710.db2.gz FUCARLGNXBSKBO-DTWKUNHWSA-N -1 1 317.353 0.295 20 0 DCADMM Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737320856 598999206 /nfs/dbraw/zinc/99/92/06/598999206.db2.gz XDLBKWPCNGPHJZ-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737320856 598999208 /nfs/dbraw/zinc/99/92/08/598999208.db2.gz XDLBKWPCNGPHJZ-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM CC(C)(C)C(=O)NCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735589712 598999406 /nfs/dbraw/zinc/99/94/06/598999406.db2.gz NUPGDUAAEVLYQG-UHFFFAOYSA-N -1 1 317.353 0.154 20 0 DCADMM CC(C)(C)C(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735589712 598999408 /nfs/dbraw/zinc/99/94/08/598999408.db2.gz NUPGDUAAEVLYQG-UHFFFAOYSA-N -1 1 317.353 0.154 20 0 DCADMM CCN(C[C@H]1CCOC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736535657 599025493 /nfs/dbraw/zinc/02/54/93/599025493.db2.gz WWUBSNWCSFBIHF-SNVBAGLBSA-N -1 1 302.338 0.760 20 0 DCADMM CCN(C[C@H]1CCOC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736535657 599025495 /nfs/dbraw/zinc/02/54/95/599025495.db2.gz WWUBSNWCSFBIHF-SNVBAGLBSA-N -1 1 302.338 0.760 20 0 DCADMM Cc1nc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c2ccccn12 ZINC000737467319 599055486 /nfs/dbraw/zinc/05/54/86/599055486.db2.gz ACOKQXOFXHIXLK-UHFFFAOYSA-N -1 1 309.293 0.290 20 0 DCADMM Cc1nn(CCOC[C@H]2CCCO2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822501086 599124227 /nfs/dbraw/zinc/12/42/27/599124227.db2.gz VCANZFKGCOMWTG-LLVKDONJSA-N -1 1 320.353 0.236 20 0 DCADMM O=C([O-])[C@@H]1CCN(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)C1 ZINC000819287402 596900810 /nfs/dbraw/zinc/90/08/10/596900810.db2.gz UGRNBAXIVRHIEL-CHWSQXEVSA-N -1 1 317.345 0.514 20 0 DCADMM CC[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)C(=O)[O-] ZINC000818269870 597261408 /nfs/dbraw/zinc/26/14/08/597261408.db2.gz YNMLBYRVHZEVKB-LLVKDONJSA-N -1 1 317.305 0.185 20 0 DCADMM CN1CCN(C)[C@@H](CNC(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000390251165 597322468 /nfs/dbraw/zinc/32/24/68/597322468.db2.gz WSGKNTMXLUGRBG-ZDUSSCGKSA-N -1 1 320.393 0.681 20 0 DCADMM CN(C)S(=O)(=O)c1cccc(CN2CC[C@@H](C(=O)[O-])C2)c1 ZINC000062133845 597525064 /nfs/dbraw/zinc/52/50/64/597525064.db2.gz WDXDLCOUXWXLDS-GFCCVEGCSA-N -1 1 312.391 0.843 20 0 DCADMM Cc1cc(NC(=O)CN2CCN(CCCCC(=O)[O-])CC2)no1 ZINC000738232345 597766070 /nfs/dbraw/zinc/76/60/70/597766070.db2.gz 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606550615 /nfs/dbraw/zinc/55/06/15/606550615.db2.gz ZXLKRLYUTGKOCW-UHFFFAOYSA-N -1 1 322.379 0.275 20 0 DCADMM CN1C(=S)N=NC1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822605128 606550617 /nfs/dbraw/zinc/55/06/17/606550617.db2.gz ZXLKRLYUTGKOCW-UHFFFAOYSA-N -1 1 322.379 0.275 20 0 DCADMM O=C(NCc1ccc(=O)[nH]c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823254392 606567245 /nfs/dbraw/zinc/56/72/45/606567245.db2.gz SOXYFJSPUHTQGJ-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM O=C(NCc1ccc(=O)[nH]c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823254392 606567247 /nfs/dbraw/zinc/56/72/47/606567247.db2.gz SOXYFJSPUHTQGJ-UHFFFAOYSA-N -1 1 302.319 0.959 20 0 DCADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCN(C)C1=O ZINC000821622270 606568036 /nfs/dbraw/zinc/56/80/36/606568036.db2.gz XZWBVMLHSHHVDT-SSDOTTSWSA-N -1 1 306.351 0.231 20 0 DCADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCN(C)C1=O ZINC000821622270 606568037 /nfs/dbraw/zinc/56/80/37/606568037.db2.gz XZWBVMLHSHHVDT-SSDOTTSWSA-N -1 1 306.351 0.231 20 0 DCADMM NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000822859256 606570078 /nfs/dbraw/zinc/57/00/78/606570078.db2.gz GCBKDTHTHHTVES-YUMQZZPRSA-N -1 1 320.378 0.702 20 0 DCADMM NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000822859256 606570080 /nfs/dbraw/zinc/57/00/80/606570080.db2.gz GCBKDTHTHHTVES-YUMQZZPRSA-N -1 1 320.378 0.702 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCn2cccc2)n1 ZINC000822620601 606578103 /nfs/dbraw/zinc/57/81/03/606578103.db2.gz YNQXXURCOWIPHD-UHFFFAOYSA-N -1 1 301.314 0.223 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCn2cccc2)n1 ZINC000822620601 606578104 /nfs/dbraw/zinc/57/81/04/606578104.db2.gz YNQXXURCOWIPHD-UHFFFAOYSA-N -1 1 301.314 0.223 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000823525235 606583145 /nfs/dbraw/zinc/58/31/45/606583145.db2.gz IIRPRCCIPYJHSE-SFYZADRCSA-N -1 1 318.362 0.421 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000823525235 606583147 /nfs/dbraw/zinc/58/31/47/606583147.db2.gz IIRPRCCIPYJHSE-SFYZADRCSA-N -1 1 318.362 0.421 20 0 DCADMM CCOCCOCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821384116 606651876 /nfs/dbraw/zinc/65/18/76/606651876.db2.gz PTXOYIZEZOLXJN-UHFFFAOYSA-N -1 1 307.310 0.358 20 0 DCADMM CCOCCOCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821384116 606651877 /nfs/dbraw/zinc/65/18/77/606651877.db2.gz PTXOYIZEZOLXJN-UHFFFAOYSA-N -1 1 307.310 0.358 20 0 DCADMM CCN1C[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC000821242571 606652541 /nfs/dbraw/zinc/65/25/41/606652541.db2.gz VHPJLVWKRFRMEA-JTQLQIEISA-N -1 1 316.321 0.173 20 0 DCADMM CCN1C[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC000821242571 606652542 /nfs/dbraw/zinc/65/25/42/606652542.db2.gz VHPJLVWKRFRMEA-JTQLQIEISA-N -1 1 316.321 0.173 20 0 DCADMM c1cc(-c2nnn[n-]2)nc(N2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000823742802 606802876 /nfs/dbraw/zinc/80/28/76/606802876.db2.gz LLMPEJDYEJOJLP-NWDGAFQWSA-N -1 1 302.338 0.646 20 0 DCADMM c1cc(-c2nn[n-]n2)nc(N2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000823742802 606802878 /nfs/dbraw/zinc/80/28/78/606802878.db2.gz LLMPEJDYEJOJLP-NWDGAFQWSA-N -1 1 302.338 0.646 20 0 DCADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000823607724 606841307 /nfs/dbraw/zinc/84/13/07/606841307.db2.gz WQMSDDAKTBBCFH-UHFFFAOYSA-N -1 1 313.314 0.027 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H]2CCC[C@H]21 ZINC000823600051 606873878 /nfs/dbraw/zinc/87/38/78/606873878.db2.gz CEGJCEHQFIGNLU-GZMMTYOYSA-N -1 1 306.351 0.435 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H]2CCC[C@H]21 ZINC000823600051 606873880 /nfs/dbraw/zinc/87/38/80/606873880.db2.gz CEGJCEHQFIGNLU-GZMMTYOYSA-N -1 1 306.351 0.435 20 0 DCADMM Cc1ccc(-c2nn[nH]n2)cc1OS(=O)(=O)c1c[n-]cn1 ZINC000822222402 607049460 /nfs/dbraw/zinc/04/94/60/607049460.db2.gz FQUTXFDNAOQZIM-UHFFFAOYSA-N -1 1 306.307 0.666 20 0 DCADMM CCS[C@H](C)c1noc(Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000821446606 607160786 /nfs/dbraw/zinc/16/07/86/607160786.db2.gz BBOVXQPBVHEMBO-ZCFIWIBFSA-N -1 1 307.343 0.704 20 0 DCADMM CC(C)c1nnc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000820206768 607209162 /nfs/dbraw/zinc/20/91/62/607209162.db2.gz ZXDKNGGMAPUEDM-UHFFFAOYSA-N -1 1 320.342 0.072 20 0 DCADMM CCC[C@]1(C)CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC000821028774 607221013 /nfs/dbraw/zinc/22/10/13/607221013.db2.gz ZLTCDSYSYKYHPT-CQSZACIVSA-N -1 1 318.385 0.887 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC[C@@H]1Cc1ccccc1 ZINC000823122479 607221830 /nfs/dbraw/zinc/22/18/30/607221830.db2.gz BZSSWWGYPLCVEK-GFCCVEGCSA-N -1 1 324.348 0.302 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc2ccncc21 ZINC000823136124 607223412 /nfs/dbraw/zinc/22/34/12/607223412.db2.gz KZQBYGSJPYEXDI-UHFFFAOYSA-N -1 1 321.304 0.645 20 0 DCADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCC2=CCCC2)n(C)c1=O ZINC000826355455 607809586 /nfs/dbraw/zinc/80/95/86/607809586.db2.gz AHBATGSVNWUETM-UHFFFAOYSA-N -1 1 317.353 0.176 20 0 DCADMM CCOCCS(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000825604688 607868274 /nfs/dbraw/zinc/86/82/74/607868274.db2.gz JUQWKZGNDYODNM-UHFFFAOYSA-N -1 1 316.314 0.751 20 0 DCADMM CCOCCS(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000825604688 607868275 /nfs/dbraw/zinc/86/82/75/607868275.db2.gz JUQWKZGNDYODNM-UHFFFAOYSA-N -1 1 316.314 0.751 20 0 DCADMM Cc1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ncn1 ZINC000826267143 607961344 /nfs/dbraw/zinc/96/13/44/607961344.db2.gz UDJVNOCYEMXREB-UHFFFAOYSA-N -1 1 314.313 0.020 20 0 DCADMM Cc1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ncn1 ZINC000826267143 607961345 /nfs/dbraw/zinc/96/13/45/607961345.db2.gz UDJVNOCYEMXREB-UHFFFAOYSA-N -1 1 314.313 0.020 20 0 DCADMM c1cncc(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826525327 607988939 /nfs/dbraw/zinc/98/89/39/607988939.db2.gz FPYKCJOZOPZXFS-UHFFFAOYSA-N -1 1 323.364 0.374 20 0 DCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(=O)N1CCCC[C@H]1C ZINC000824650556 607990407 /nfs/dbraw/zinc/99/04/07/607990407.db2.gz ROFGMGZCKIGYIZ-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(=O)N1CCCC[C@H]1C ZINC000824650556 607990408 /nfs/dbraw/zinc/99/04/08/607990408.db2.gz ROFGMGZCKIGYIZ-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM c1cc(-c2nnn[n-]2)nnc1NCCCOC[C@@H]1CCOC1 ZINC000826514778 607990825 /nfs/dbraw/zinc/99/08/25/607990825.db2.gz CHQRREPFKODVNI-JTQLQIEISA-N -1 1 305.342 0.512 20 0 DCADMM c1cc(-c2nn[n-]n2)nnc1NCCCOC[C@@H]1CCOC1 ZINC000826514778 607990826 /nfs/dbraw/zinc/99/08/26/607990826.db2.gz CHQRREPFKODVNI-JTQLQIEISA-N -1 1 305.342 0.512 20 0 DCADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1nccn2ccnc12 ZINC000826451324 607997850 /nfs/dbraw/zinc/99/78/50/607997850.db2.gz AZZKZPHECSLSHO-UHFFFAOYSA-N -1 1 322.288 0.867 20 0 DCADMM CCc1ccc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cc1 ZINC000825712948 608096212 /nfs/dbraw/zinc/09/62/12/608096212.db2.gz XQXHECVVHWQFCW-UHFFFAOYSA-N -1 1 312.333 0.338 20 0 DCADMM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825486792 608139726 /nfs/dbraw/zinc/13/97/26/608139726.db2.gz YUPQPWQRSMKJBC-IUCAKERBSA-N -1 1 318.337 0.579 20 0 DCADMM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825486792 608139727 /nfs/dbraw/zinc/13/97/27/608139727.db2.gz YUPQPWQRSMKJBC-IUCAKERBSA-N -1 1 318.337 0.579 20 0 DCADMM C[C@H](CN1CCOCC1)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824420530 608142200 /nfs/dbraw/zinc/14/22/00/608142200.db2.gz MALYMLKFKANBQW-SECBINFHSA-N -1 1 323.378 0.806 20 0 DCADMM C[C@H](CN1CCOCC1)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824420530 608142201 /nfs/dbraw/zinc/14/22/01/608142201.db2.gz MALYMLKFKANBQW-SECBINFHSA-N -1 1 323.378 0.806 20 0 DCADMM CC(C)(C)C(=O)N1CCC(Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000824064970 608144127 /nfs/dbraw/zinc/14/41/27/608144127.db2.gz QQUFXSRYVDJJST-UHFFFAOYSA-N -1 1 318.385 0.743 20 0 DCADMM Oc1ccccc1-c1nc(Cn2ccnc2-c2nn[n-]n2)no1 ZINC000826511497 608147636 /nfs/dbraw/zinc/14/76/36/608147636.db2.gz SHUBNQYDBPCKGW-UHFFFAOYSA-N -1 1 310.277 0.867 20 0 DCADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(=O)N(C)C ZINC000826231932 608189270 /nfs/dbraw/zinc/18/92/70/608189270.db2.gz RCOBBDGKOZJEBI-SCSAIBSYSA-N -1 1 301.763 0.865 20 0 DCADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(=O)N(C)C ZINC000826231932 608189269 /nfs/dbraw/zinc/18/92/69/608189269.db2.gz RCOBBDGKOZJEBI-SCSAIBSYSA-N -1 1 301.763 0.865 20 0 DCADMM CCCn1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC000825361626 608317451 /nfs/dbraw/zinc/31/74/51/608317451.db2.gz GNMCVKKYKHWBNO-UHFFFAOYSA-N -1 1 314.309 0.620 20 0 DCADMM CCCn1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC000825361626 608317453 /nfs/dbraw/zinc/31/74/53/608317453.db2.gz GNMCVKKYKHWBNO-UHFFFAOYSA-N -1 1 314.309 0.620 20 0 DCADMM C[C@@H]1C(=O)NCCN1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000824859882 608380721 /nfs/dbraw/zinc/38/07/21/608380721.db2.gz RSCSGLNWSNXDGG-SECBINFHSA-N -1 1 309.333 0.740 20 0 DCADMM C[C@@H]1C(=O)NCCN1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000824859882 608380723 /nfs/dbraw/zinc/38/07/23/608380723.db2.gz RSCSGLNWSNXDGG-SECBINFHSA-N -1 1 309.333 0.740 20 0 DCADMM OC[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccccc1 ZINC000826507390 608397145 /nfs/dbraw/zinc/39/71/45/608397145.db2.gz NSJZTHZMNCQSTJ-LBPRGKRZSA-N -1 1 311.349 0.920 20 0 DCADMM OC[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccccc1 ZINC000826507390 608397146 /nfs/dbraw/zinc/39/71/46/608397146.db2.gz NSJZTHZMNCQSTJ-LBPRGKRZSA-N -1 1 311.349 0.920 20 0 DCADMM c1cnc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC000826525233 608401138 /nfs/dbraw/zinc/40/11/38/608401138.db2.gz BJVNACMOHSHVDD-JTQLQIEISA-N -1 1 324.352 0.528 20 0 DCADMM c1cnc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC000826525233 608401140 /nfs/dbraw/zinc/40/11/40/608401140.db2.gz BJVNACMOHSHVDD-JTQLQIEISA-N -1 1 324.352 0.528 20 0 DCADMM COCCOC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826161254 608426545 /nfs/dbraw/zinc/42/65/45/608426545.db2.gz ZIUVOBRMBNTCDE-JTQLQIEISA-N -1 1 305.342 0.146 20 0 DCADMM COCCOC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826161254 608426546 /nfs/dbraw/zinc/42/65/46/608426546.db2.gz ZIUVOBRMBNTCDE-JTQLQIEISA-N -1 1 305.342 0.146 20 0 DCADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H](C(F)(F)F)O1 ZINC000824994549 608427358 /nfs/dbraw/zinc/42/73/58/608427358.db2.gz VISKFFHMYLYJMG-POYBYMJQSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H](C(F)(F)F)O1 ZINC000824994549 608427361 /nfs/dbraw/zinc/42/73/61/608427361.db2.gz VISKFFHMYLYJMG-POYBYMJQSA-N -1 1 315.259 0.813 20 0 DCADMM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1n1ccnc1 ZINC000824961944 608431676 /nfs/dbraw/zinc/43/16/76/608431676.db2.gz LMAXKNLGNDBPMQ-CMPLNLGQSA-N -1 1 311.353 0.941 20 0 DCADMM O[C@]12CCCC[C@@H]1CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826506185 608433013 /nfs/dbraw/zinc/43/30/13/608433013.db2.gz OGFKJCXQJMATNU-YGRLFVJLSA-N -1 1 301.354 0.788 20 0 DCADMM O[C@]12CCCC[C@@H]1CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826506185 608433016 /nfs/dbraw/zinc/43/30/16/608433016.db2.gz OGFKJCXQJMATNU-YGRLFVJLSA-N -1 1 301.354 0.788 20 0 DCADMM c1cc(N2CC[C@H](C3CCOCC3)C2)nnc1-c1nnn[n-]1 ZINC000826516271 608438016 /nfs/dbraw/zinc/43/80/16/608438016.db2.gz DMNRNSGOMBODFQ-NSHDSACASA-N -1 1 301.354 0.910 20 0 DCADMM c1cc(N2CC[C@H](C3CCOCC3)C2)nnc1-c1nn[n-]n1 ZINC000826516271 608438018 /nfs/dbraw/zinc/43/80/18/608438018.db2.gz DMNRNSGOMBODFQ-NSHDSACASA-N -1 1 301.354 0.910 20 0 DCADMM CN(Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000825962416 608496521 /nfs/dbraw/zinc/49/65/21/608496521.db2.gz ZPSSYLOIHCXIQJ-QMMMGPOBSA-N -1 1 313.408 0.547 20 0 DCADMM CCOC(=O)[C@@H]1CSCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825499710 608510893 /nfs/dbraw/zinc/51/08/93/608510893.db2.gz RQSHKZVINKXHJW-JTQLQIEISA-N -1 1 323.378 0.940 20 0 DCADMM CCOC(=O)[C@@H]1CSCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825499710 608510894 /nfs/dbraw/zinc/51/08/94/608510894.db2.gz RQSHKZVINKXHJW-JTQLQIEISA-N -1 1 323.378 0.940 20 0 DCADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCC(=O)c1cccs1 ZINC000826425337 608888912 /nfs/dbraw/zinc/88/89/12/608888912.db2.gz YPIUQYDRNMBKCO-UHFFFAOYSA-N -1 1 317.334 0.124 20 0 DCADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCC(=O)c1cccs1 ZINC000826425337 608888915 /nfs/dbraw/zinc/88/89/15/608888915.db2.gz YPIUQYDRNMBKCO-UHFFFAOYSA-N -1 1 317.334 0.124 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCOC1 ZINC000824515487 609599383 /nfs/dbraw/zinc/59/93/83/609599383.db2.gz SLAXRNCNSQNYPH-ONGXEEELSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCOC1 ZINC000824515487 609599386 /nfs/dbraw/zinc/59/93/86/609599386.db2.gz SLAXRNCNSQNYPH-ONGXEEELSA-N -1 1 302.338 0.807 20 0 DCADMM c1cnc(N2CCOCC3(CCOCC3)C2)c(-c2nnn[n-]2)n1 ZINC000826525259 609607656 /nfs/dbraw/zinc/60/76/56/609607656.db2.gz CNVYXDRQHLTCAK-UHFFFAOYSA-N -1 1 317.353 0.290 20 0 DCADMM c1cnc(N2CCOCC3(CCOCC3)C2)c(-c2nn[n-]n2)n1 ZINC000826525259 609607657 /nfs/dbraw/zinc/60/76/57/609607657.db2.gz CNVYXDRQHLTCAK-UHFFFAOYSA-N -1 1 317.353 0.290 20 0 DCADMM CS(C)(=O)=NS(=O)(=O)[N-][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000867733538 667493019 /nfs/dbraw/zinc/49/30/19/667493019.db2.gz NDGXWOGDYBFNAK-GHMZBOCLSA-N -1 1 310.441 0.754 20 0 DCADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)C2CC=CC2)nc1=O ZINC001027797569 660745856 /nfs/dbraw/zinc/74/58/56/660745856.db2.gz 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CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)[C@@H](C)SC ZINC000985099600 662364712 /nfs/dbraw/zinc/36/47/12/662364712.db2.gz DBOWGAJVSDAQTF-WCABBAIRSA-N -1 1 311.411 0.666 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)c1ncoc1C ZINC000985099561 662364852 /nfs/dbraw/zinc/36/48/52/662364852.db2.gz CLROYLRYGVWEEI-GXSJLCMTSA-N -1 1 318.337 0.524 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)c1cscn1 ZINC000985099590 662364889 /nfs/dbraw/zinc/36/48/89/662364889.db2.gz CVGDXEQTNZXUND-GZMMTYOYSA-N -1 1 320.378 0.684 20 0 DCADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)c1ccncc1 ZINC000985099009 662365287 /nfs/dbraw/zinc/36/52/87/662365287.db2.gz ZMOCSZVTSQVZLD-WCQYABFASA-N -1 1 314.349 0.623 20 0 DCADMM CC1(C)CNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000867527407 662375360 /nfs/dbraw/zinc/37/53/60/662375360.db2.gz DZABCMKOENJMGT-MRVPVSSYSA-N -1 1 321.761 0.677 20 0 DCADMM CC[C@H](CN1CCOCC1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000928651476 662389078 /nfs/dbraw/zinc/38/90/78/662389078.db2.gz PQTPPZRFWQUUTH-CYBMUJFWSA-N -1 1 306.362 0.802 20 0 DCADMM CO[C@H](C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1)C1CC1 ZINC000985405048 662431325 /nfs/dbraw/zinc/43/13/25/662431325.db2.gz WLQYCLNAXNMIHD-ZDUSSCGKSA-N -1 1 323.397 0.358 20 0 DCADMM C[N@H+](Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC001029648394 662438951 /nfs/dbraw/zinc/43/89/51/662438951.db2.gz KZFTYMJQQGKUKJ-SNVBAGLBSA-N -1 1 305.338 0.697 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC001029648394 662438952 /nfs/dbraw/zinc/43/89/52/662438952.db2.gz KZFTYMJQQGKUKJ-SNVBAGLBSA-N -1 1 305.338 0.697 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001029662596 662442751 /nfs/dbraw/zinc/44/27/51/662442751.db2.gz CCOALUOYRUNZPN-SECBINFHSA-N -1 1 306.326 0.092 20 0 DCADMM C[N@H+](Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC001029663390 662443089 /nfs/dbraw/zinc/44/30/89/662443089.db2.gz WPPZAKHFNVUNAE-VIFPVBQESA-N -1 1 322.394 0.561 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC001029663390 662443091 /nfs/dbraw/zinc/44/30/91/662443091.db2.gz WPPZAKHFNVUNAE-VIFPVBQESA-N -1 1 322.394 0.561 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC001029705157 662455128 /nfs/dbraw/zinc/45/51/28/662455128.db2.gz CZIKUDVPFXXUQP-VXGBXAGGSA-N -1 1 323.397 0.360 20 0 DCADMM C[N@H+](Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC001029785417 662473838 /nfs/dbraw/zinc/47/38/38/662473838.db2.gz DCERGDXGGYSSHJ-SECBINFHSA-N -1 1 322.344 0.572 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC001029785417 662473839 /nfs/dbraw/zinc/47/38/39/662473839.db2.gz DCERGDXGGYSSHJ-SECBINFHSA-N -1 1 322.344 0.572 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)c2nccs2)CC1 ZINC000985711241 662503599 /nfs/dbraw/zinc/50/35/99/662503599.db2.gz DKUOEGCERXGREQ-UHFFFAOYSA-N -1 1 322.394 0.703 20 0 DCADMM Cc1ccc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)[C@H]2C)cn1 ZINC000985984508 662534156 /nfs/dbraw/zinc/53/41/56/662534156.db2.gz LXVKEGBLQKMYIG-PWSUYJOCSA-N -1 1 316.365 0.607 20 0 DCADMM C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)COC1CCCC1 ZINC000986016491 662538463 /nfs/dbraw/zinc/53/84/63/662538463.db2.gz YIZVWTMMINANPQ-PWSUYJOCSA-N -1 1 323.397 0.549 20 0 DCADMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)C1(C)C ZINC000866937943 662556981 /nfs/dbraw/zinc/55/69/81/662556981.db2.gz LNLDFYCHWSXAMW-NXEZZACHSA-N -1 1 310.441 0.896 20 0 DCADMM Cc1nc(C)c(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)o1 ZINC000986122075 662558002 /nfs/dbraw/zinc/55/80/02/662558002.db2.gz WOHJBSZKWVCXTI-WPRPVWTQSA-N -1 1 320.353 0.508 20 0 DCADMM Cc1cc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@H]2C)co1 ZINC000986186084 662566827 /nfs/dbraw/zinc/56/68/27/662566827.db2.gz HJBUMNKSUNHNNM-MWLCHTKSSA-N -1 1 305.338 0.805 20 0 DCADMM CN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)C(F)F)CC1 ZINC001029924568 662568394 /nfs/dbraw/zinc/56/83/94/662568394.db2.gz PWRPNYFEKXBFOZ-UHFFFAOYSA-N -1 1 303.313 0.446 20 0 DCADMM CCn1nccc1C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000986201148 662568849 /nfs/dbraw/zinc/56/88/49/662568849.db2.gz LUZONLGOAKWQFD-ZJUUUORDSA-N -1 1 319.369 0.120 20 0 DCADMM CO[C@@H](C)C(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001029940642 662594593 /nfs/dbraw/zinc/59/45/93/662594593.db2.gz FORPQTGGTIGOLI-JTQLQIEISA-N -1 1 311.386 0.216 20 0 DCADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cnon1 ZINC000987685200 662698480 /nfs/dbraw/zinc/69/84/80/662698480.db2.gz PMPMGWHKAGKKNZ-BDAKNGLRSA-N -1 1 317.305 0.203 20 0 DCADMM C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)Cc1ccsc1 ZINC000987918629 662718117 /nfs/dbraw/zinc/71/81/17/662718117.db2.gz ODJIJTXRXLOUHL-KOLCDFICSA-N -1 1 321.406 0.894 20 0 DCADMM C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CC(F)(F)F ZINC000988277484 662746514 /nfs/dbraw/zinc/74/65/14/662746514.db2.gz FLNFUCDQMLLDHY-NKWVEPMBSA-N -1 1 307.276 0.542 20 0 DCADMM C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CC1CCOCC1 ZINC000988411087 662769432 /nfs/dbraw/zinc/76/94/32/662769432.db2.gz CJBGWPHGAPTJAV-CMPLNLGQSA-N -1 1 323.397 0.406 20 0 DCADMM Cc1cc(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C[C@H]2C)ncn1 ZINC000988658400 662813234 /nfs/dbraw/zinc/81/32/34/662813234.db2.gz XZMFFOKUKJOLAV-ZJUUUORDSA-N -1 1 317.353 0.002 20 0 DCADMM Cc1nc(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C[C@@H]2C)co1 ZINC000988670116 662823494 /nfs/dbraw/zinc/82/34/94/662823494.db2.gz AIRSFDZQJOTXKV-CBAPKCEASA-N -1 1 306.326 0.200 20 0 DCADMM CCn1nccc1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000988698544 662834100 /nfs/dbraw/zinc/83/41/00/662834100.db2.gz JCYWJINBORSJCA-UWVGGRQHSA-N -1 1 319.369 0.120 20 0 DCADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ncc[nH]1 ZINC000937915871 662843133 /nfs/dbraw/zinc/84/31/33/662843133.db2.gz QWAAGQLAATYYLH-VIFPVBQESA-N -1 1 301.306 0.155 20 0 DCADMM CCc1[nH]ccc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000988770771 662855854 /nfs/dbraw/zinc/85/58/54/662855854.db2.gz KWKMGICNJSVKEM-VHSXEESVSA-N -1 1 318.381 0.794 20 0 DCADMM Cc1nocc1C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000989390236 662908722 /nfs/dbraw/zinc/90/87/22/662908722.db2.gz NGNMDNYFWBLZBJ-CBAPKCEASA-N -1 1 306.326 0.200 20 0 DCADMM CCc1nocc1C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000989421508 662916518 /nfs/dbraw/zinc/91/65/18/662916518.db2.gz JNFLGDCJQQFGGT-DTWKUNHWSA-N -1 1 320.353 0.454 20 0 DCADMM Cc1ccoc1CC(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000989424063 662916709 /nfs/dbraw/zinc/91/67/09/662916709.db2.gz XXOHVYRKQMXBOQ-MNOVXSKESA-N -1 1 319.365 0.733 20 0 DCADMM COc1ccc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C[C@H]2C)o1 ZINC000989596815 662963398 /nfs/dbraw/zinc/96/33/98/662963398.db2.gz MVKKOTCKQLYKTJ-RKDXNWHRSA-N -1 1 321.337 0.505 20 0 DCADMM Cc1ncc(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)[nH]1 ZINC000990494116 663057097 /nfs/dbraw/zinc/05/70/97/663057097.db2.gz VMGNAXDDCFJXKT-UHFFFAOYSA-N -1 1 301.306 0.073 20 0 DCADMM O=C(CN1CCc2ccccc21)NCc1nc([O-])cc(=O)[nH]1 ZINC000898749877 663106199 /nfs/dbraw/zinc/10/61/99/663106199.db2.gz DLPIPIFXWOVGDG-UHFFFAOYSA-N -1 1 300.318 0.567 20 0 DCADMM CC(C)[C@H](NC(=O)N[C@@H]1CCCN2CCSC[C@H]12)C(=O)[O-] ZINC000900295805 663232751 /nfs/dbraw/zinc/23/27/51/663232751.db2.gz ORMXHOJNDBWTSM-UTUOFQBUSA-N -1 1 315.439 0.975 20 0 DCADMM O=C(C[C@@H]1COCCN1)[N-]S(=O)(=O)CC1CCCCC1 ZINC000901019808 663308781 /nfs/dbraw/zinc/30/87/81/663308781.db2.gz UABLVFYWCKIUNE-GFCCVEGCSA-N -1 1 304.412 0.391 20 0 DCADMM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCc1c[nH]nn1 ZINC000902100168 663385202 /nfs/dbraw/zinc/38/52/02/663385202.db2.gz XLYUALNOEKGAJY-AWEZNQCLSA-N -1 1 300.318 0.948 20 0 DCADMM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCc1cnn[nH]1 ZINC000902100168 663385203 /nfs/dbraw/zinc/38/52/03/663385203.db2.gz XLYUALNOEKGAJY-AWEZNQCLSA-N -1 1 300.318 0.948 20 0 DCADMM O=C(NC1CN(C(=O)[C@@H]2CCCCO2)C1)c1ncccc1[O-] ZINC000990969995 663393649 /nfs/dbraw/zinc/39/36/49/663393649.db2.gz REQGTODKXHRUNJ-LBPRGKRZSA-N -1 1 305.334 0.297 20 0 DCADMM C[C@](O)(CC(=O)N1CC(NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000990969170 663394622 /nfs/dbraw/zinc/39/46/22/663394622.db2.gz KKVKUMMSTBCPKH-INIZCTEOSA-N -1 1 319.361 0.279 20 0 DCADMM Cc1occc1C(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990969683 663395257 /nfs/dbraw/zinc/39/52/57/663395257.db2.gz NAYJDYDJJRQBTG-UHFFFAOYSA-N -1 1 301.302 0.943 20 0 DCADMM C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990972473 663398113 /nfs/dbraw/zinc/39/81/13/663398113.db2.gz PNPDBKDLBPMJEH-GXSJLCMTSA-N -1 1 305.334 0.153 20 0 DCADMM CO[C@H]1CCC[C@@H]1C(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990977701 663399743 /nfs/dbraw/zinc/39/97/43/663399743.db2.gz LIENXTZNYSEYJH-AAEUAGOBSA-N -1 1 319.361 0.543 20 0 DCADMM O=C(NC1CN(C(=O)[C@H]2CCC2(F)F)C1)c1ncccc1[O-] ZINC000990976611 663401803 /nfs/dbraw/zinc/40/18/03/663401803.db2.gz GVGQYTFQELQKSN-SECBINFHSA-N -1 1 311.288 0.773 20 0 DCADMM CCc1ncc(S(=O)(=O)[N-]c2ccn(C)c(=O)n2)s1 ZINC000903199017 663448683 /nfs/dbraw/zinc/44/86/83/663448683.db2.gz 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DCADMM O=C(NCc1nc([C@@H]2CCOC2)n[nH]1)C(=O)c1ccc([O-])cc1 ZINC001648918975 1157710350 /nfs/dbraw/zinc/71/03/50/1157710350.db2.gz KROQYPYFYRFCFB-SNVBAGLBSA-N -1 1 316.317 0.513 20 0 DCADMM CC(C)=CCN1CCN(CCNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001752364771 1157918455 /nfs/dbraw/zinc/91/84/55/1157918455.db2.gz DMLBVRBFXXUTDL-UHFFFAOYSA-N -1 1 321.425 0.737 20 0 DCADMM CN(CCCNC(=O)[C@@H]1CCCOC1)C(=O)c1ncccc1[O-] ZINC001687410973 1158296099 /nfs/dbraw/zinc/29/60/99/1158296099.db2.gz CTLIVIQWHOQDEC-GFCCVEGCSA-N -1 1 321.377 0.792 20 0 DCADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000396962494 1158364607 /nfs/dbraw/zinc/36/46/07/1158364607.db2.gz HCMVIXWLAXCSMG-GHMZBOCLSA-N -1 1 309.366 0.429 20 0 DCADMM CC(=Cc1ccco1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001626046632 1158619403 /nfs/dbraw/zinc/61/94/03/1158619403.db2.gz HPVFJABZXGIWIZ-KTKRTIGZSA-N -1 1 303.322 0.706 20 0 DCADMM COCCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H](C)C1 ZINC001649113304 1158645298 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CC(C)[C@@H](C)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573996523 1163620296 /nfs/dbraw/zinc/62/02/96/1163620296.db2.gz UIZOUJJCJYVISD-SNVBAGLBSA-N -1 1 318.385 0.819 20 0 DCADMM CC(C)[C@@H](C)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573996523 1163620300 /nfs/dbraw/zinc/62/03/00/1163620300.db2.gz UIZOUJJCJYVISD-SNVBAGLBSA-N -1 1 318.385 0.819 20 0 DCADMM Cc1[nH]nc(CN2CCC(c3nnc(N)o3)CC2)c1C(=O)[O-] ZINC001574114786 1163641160 /nfs/dbraw/zinc/64/11/60/1163641160.db2.gz YCHQWEXQDXSSIE-UHFFFAOYSA-N -1 1 306.326 0.761 20 0 DCADMM Cc1[nH]ncc1CN(C)S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001574181985 1163654090 /nfs/dbraw/zinc/65/40/90/1163654090.db2.gz HLWFVZFRAVJPBE-UHFFFAOYSA-N -1 1 314.323 0.366 20 0 DCADMM Cc1nnc2n1CCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)[C@H]2C ZINC001574197031 1163659402 /nfs/dbraw/zinc/65/94/02/1163659402.db2.gz GIIUUOULOJUALM-CMPLNLGQSA-N -1 1 321.381 0.286 20 0 DCADMM CN1CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=NC1=O ZINC001574211374 1163664730 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O=C([O-])Cc1cccc(NC(=O)NCc2n[nH]c(CO)n2)c1 ZINC001574371478 1163707903 /nfs/dbraw/zinc/70/79/03/1163707903.db2.gz UHVGQPROEAWEDJ-UHFFFAOYSA-N -1 1 305.294 0.246 20 0 DCADMM O=C([O-])N1C[C@H](NCc2ccc(-c3cc[nH]n3)o2)[C@@H](CO)C1 ZINC001574377629 1163710306 /nfs/dbraw/zinc/71/03/06/1163710306.db2.gz VRCHIBDXIMGOCD-SKDRFNHKSA-N -1 1 306.322 0.730 20 0 DCADMM O=C([O-])N1C[C@@H](CO)[C@H](NCc2ccc(-c3cc[nH]n3)o2)C1 ZINC001574377628 1163710634 /nfs/dbraw/zinc/71/06/34/1163710634.db2.gz VRCHIBDXIMGOCD-JOYOIKCWSA-N -1 1 306.322 0.730 20 0 DCADMM O=C([O-])c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)n1 ZINC001574423689 1163720217 /nfs/dbraw/zinc/72/02/17/1163720217.db2.gz YMZDJWNSBBPFDV-NSHDSACASA-N -1 1 321.381 0.916 20 0 DCADMM C[C@@H](CCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C)CC1 ZINC001574672099 1163738418 /nfs/dbraw/zinc/73/84/18/1163738418.db2.gz FKVJPVOMEZFHIF-VIFPVBQESA-N -1 1 316.369 0.185 20 0 DCADMM C[C@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C)CC1 ZINC001574800198 1163755036 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Cn1cc(Cl)cc1C(=O)NCCNC(=O)c1ncccc1[O-] ZINC001575057114 1163870472 /nfs/dbraw/zinc/87/04/72/1163870472.db2.gz ANXZNVQSNYIIKC-UHFFFAOYSA-N -1 1 322.752 0.939 20 0 DCADMM CO[C@@H]1CCC[C@H](C(=O)NCCNC(=O)c2ncccc2[O-])C1 ZINC001575059422 1163873673 /nfs/dbraw/zinc/87/36/73/1163873673.db2.gz SARSAHWNWACJOV-NWDGAFQWSA-N -1 1 321.377 0.838 20 0 DCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](O)c1cccc(F)c1 ZINC001575437283 1164014189 /nfs/dbraw/zinc/01/41/89/1164014189.db2.gz JUIARSMNFFFSTN-PELKAZGASA-N -1 1 315.312 0.752 20 0 DCADMM C[C@@](O)(Cc1ccccc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001575474740 1164026512 /nfs/dbraw/zinc/02/65/12/1164026512.db2.gz QSXRRHYHJHAAKY-CQSZACIVSA-N -1 1 313.321 0.522 20 0 DCADMM C[C@@](O)(Cc1ccccc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001575474740 1164026516 /nfs/dbraw/zinc/02/65/16/1164026516.db2.gz QSXRRHYHJHAAKY-CQSZACIVSA-N -1 1 313.321 0.522 20 0 DCADMM C[C@H](O)C[C@H]1COCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001575479524 1164030253 /nfs/dbraw/zinc/03/02/53/1164030253.db2.gz DIMSDYGSKPUPOF-WPRPVWTQSA-N -1 1 323.378 0.540 20 0 DCADMM C[C@@]1(NC(=O)C2CC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575802168 1164158377 /nfs/dbraw/zinc/15/83/77/1164158377.db2.gz BORQUBLUYDUCLO-CQSZACIVSA-N -1 1 314.353 0.152 20 0 DCADMM C[C@@]1(NC(=O)C2CC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575802168 1164158380 /nfs/dbraw/zinc/15/83/80/1164158380.db2.gz BORQUBLUYDUCLO-CQSZACIVSA-N -1 1 314.353 0.152 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576081571 1164234360 /nfs/dbraw/zinc/23/43/60/1164234360.db2.gz JFUJSIXIRGABNG-LDYMZIIASA-N -1 1 318.406 0.885 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576399939 1164326269 /nfs/dbraw/zinc/32/62/69/1164326269.db2.gz CDJSRNFDRLBGIJ-LIIPPBBTSA-N -1 1 314.353 0.682 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576399939 1164326276 /nfs/dbraw/zinc/32/62/76/1164326276.db2.gz CDJSRNFDRLBGIJ-LIIPPBBTSA-N -1 1 314.353 0.682 20 0 DCADMM CCC(=O)N(CC)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576410381 1164331150 /nfs/dbraw/zinc/33/11/50/1164331150.db2.gz INHWHMIAQULHEN-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N(CC)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576410381 1164331154 /nfs/dbraw/zinc/33/11/54/1164331154.db2.gz INHWHMIAQULHEN-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N[C@@H](C)CCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576438070 1164343113 /nfs/dbraw/zinc/34/31/13/1164343113.db2.gz LPQSIAOQZCKVQB-VIFPVBQESA-N -1 1 318.385 0.936 20 0 DCADMM CCC(=O)N[C@@H](C)CCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576438070 1164343119 /nfs/dbraw/zinc/34/31/19/1164343119.db2.gz LPQSIAOQZCKVQB-VIFPVBQESA-N -1 1 318.385 0.936 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576440804 1164345179 /nfs/dbraw/zinc/34/51/79/1164345179.db2.gz MIFKEAVRJOBJKD-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576440804 1164345183 /nfs/dbraw/zinc/34/51/83/1164345183.db2.gz MIFKEAVRJOBJKD-VHSXEESVSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001576444699 1164347727 /nfs/dbraw/zinc/34/77/27/1164347727.db2.gz KXFRWJGTUUCUDP-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001576444699 1164347731 /nfs/dbraw/zinc/34/77/31/1164347731.db2.gz KXFRWJGTUUCUDP-ZJUUUORDSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001576445569 1164348401 /nfs/dbraw/zinc/34/84/01/1164348401.db2.gz SOKIJECJRGWABO-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001576445569 1164348407 /nfs/dbraw/zinc/34/84/07/1164348407.db2.gz SOKIJECJRGWABO-UWVGGRQHSA-N -1 1 316.369 0.540 20 0 DCADMM CCC(=O)NC[C@@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001576470675 1164354223 /nfs/dbraw/zinc/35/42/23/1164354223.db2.gz KYHGWFFHBGIYIZ-VIFPVBQESA-N -1 1 318.385 0.793 20 0 DCADMM CCC(=O)NC[C@@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001576470675 1164354229 /nfs/dbraw/zinc/35/42/29/1164354229.db2.gz KYHGWFFHBGIYIZ-VIFPVBQESA-N -1 1 318.385 0.793 20 0 DCADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(Cc2cn[nH]n2)C1 ZINC001576513766 1164373009 /nfs/dbraw/zinc/37/30/09/1164373009.db2.gz KHUIYEOPOLSOAA-GFCCVEGCSA-N -1 1 316.365 0.642 20 0 DCADMM CC[C@H](C)C(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576577344 1164401647 /nfs/dbraw/zinc/40/16/47/1164401647.db2.gz XBVWDDPVXCBPFS-UWVGGRQHSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576577345 1164402378 /nfs/dbraw/zinc/40/23/78/1164402378.db2.gz XBVWDDPVXCBPFS-VHSXEESVSA-N -1 1 318.385 0.644 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576604569 1164409966 /nfs/dbraw/zinc/40/99/66/1164409966.db2.gz JBBMHNQWACGCBK-LPEHRKFASA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576604569 1164409972 /nfs/dbraw/zinc/40/99/72/1164409972.db2.gz JBBMHNQWACGCBK-LPEHRKFASA-N -1 1 316.369 0.762 20 0 DCADMM CC[C@@H](C)CC(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576631567 1164417813 /nfs/dbraw/zinc/41/78/13/1164417813.db2.gz FEQXDVUPGSWXGX-ZJUUUORDSA-N -1 1 318.385 0.431 20 0 DCADMM CC[C@@H](C)CC(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576630077 1164418724 /nfs/dbraw/zinc/41/87/24/1164418724.db2.gz OEMDSKUZGBOLGI-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H](C)CC(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576630077 1164418731 /nfs/dbraw/zinc/41/87/31/1164418731.db2.gz OEMDSKUZGBOLGI-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H](CNC(=O)C(C)(C)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576766557 1164455288 /nfs/dbraw/zinc/45/52/88/1164455288.db2.gz LHCKHTNXLHBBCU-QMMMGPOBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](CNC(=O)C(C)(C)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576766557 1164455292 /nfs/dbraw/zinc/45/52/92/1164455292.db2.gz LHCKHTNXLHBBCU-QMMMGPOBSA-N -1 1 322.348 0.712 20 0 DCADMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1nccnc1-c1nnn[n-]1 ZINC001576845704 1164490762 /nfs/dbraw/zinc/49/07/62/1164490762.db2.gz IGDDHNJQJQRTPH-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)Nc1nccnc1-c1nn[n-]n1 ZINC001576845704 1164490768 /nfs/dbraw/zinc/49/07/68/1164490768.db2.gz IGDDHNJQJQRTPH-KXUCPTDWSA-N -1 1 316.369 0.619 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001576927312 1164537328 /nfs/dbraw/zinc/53/73/28/1164537328.db2.gz VHMISRSKCLEIPC-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](F)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001576927312 1164537330 /nfs/dbraw/zinc/53/73/30/1164537330.db2.gz VHMISRSKCLEIPC-IUCAKERBSA-N -1 1 322.348 0.664 20 0 DCADMM CC[C@H](NC(C)=O)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001576994887 1164576434 /nfs/dbraw/zinc/57/64/34/1164576434.db2.gz WKYCJOSSCKCEGO-VIFPVBQESA-N -1 1 308.367 0.459 20 0 DCADMM CCC1(C(=O)N(C)CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001577061528 1164595455 /nfs/dbraw/zinc/59/54/55/1164595455.db2.gz BXJYXVXFWOCFJJ-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCC1(C(=O)N(C)CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001577061528 1164595462 /nfs/dbraw/zinc/59/54/62/1164595462.db2.gz BXJYXVXFWOCFJJ-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CC[C@@H]1CN(C(C)=O)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001577172533 1164621582 /nfs/dbraw/zinc/62/15/82/1164621582.db2.gz ATKWRSFRSRXUJV-MNOVXSKESA-N -1 1 316.369 0.138 20 0 DCADMM CCCC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577185044 1164625849 /nfs/dbraw/zinc/62/58/49/1164625849.db2.gz QIWOVVDDMWDVAW-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001577188179 1164627178 /nfs/dbraw/zinc/62/71/78/1164627178.db2.gz QWIDUUVNZMKDMT-VHSXEESVSA-N -1 1 316.369 0.280 20 0 DCADMM CCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001577194082 1164629020 /nfs/dbraw/zinc/62/90/20/1164629020.db2.gz DOODMOUVZHPYJX-VHSXEESVSA-N -1 1 316.369 0.280 20 0 DCADMM C[C@H]1OCC[C@@H]1C(=O)NCCCN(C)C(=O)c1ncccc1[O-] ZINC001577311053 1164666315 /nfs/dbraw/zinc/66/63/15/1164666315.db2.gz AFPOPBSNHOVGNY-NEPJUHHUSA-N -1 1 321.377 0.791 20 0 DCADMM CCCCC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001577406814 1164686509 /nfs/dbraw/zinc/68/65/09/1164686509.db2.gz HPLYYEPRJXJXIR-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCCC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001577406814 1164686514 /nfs/dbraw/zinc/68/65/14/1164686514.db2.gz HPLYYEPRJXJXIR-UHFFFAOYSA-N -1 1 316.369 0.496 20 0 DCADMM CCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577416050 1164688143 /nfs/dbraw/zinc/68/81/43/1164688143.db2.gz BHJZFQNQPHQZMM-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577416050 1164688148 /nfs/dbraw/zinc/68/81/48/1164688148.db2.gz BHJZFQNQPHQZMM-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3c[nH]nn3)[C@@H]2C)c1[O-] ZINC001577518205 1164711890 /nfs/dbraw/zinc/71/18/90/1164711890.db2.gz BPINYOHGKBYMTN-KOLCDFICSA-N -1 1 319.369 0.325 20 0 DCADMM CCN(CCNC(=O)[C@@H]1C[C@H]1C)c1ccnc(-c2nn[n-]n2)n1 ZINC001577941348 1164852696 /nfs/dbraw/zinc/85/26/96/1164852696.db2.gz KCHGGQREEDLVMR-NXEZZACHSA-N -1 1 316.369 0.255 20 0 DCADMM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001578248658 1164963225 /nfs/dbraw/zinc/96/32/25/1164963225.db2.gz PSJBKVQHTJUJCV-JGVFFNPUSA-N -1 1 319.325 0.426 20 0 DCADMM CCS(=O)(CC)=NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001578417779 1165007258 /nfs/dbraw/zinc/00/72/58/1165007258.db2.gz XQEXZTGXZFJBLN-ZETCQYMHSA-N -1 1 312.359 0.054 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C(N)=O ZINC001578472299 1165029202 /nfs/dbraw/zinc/02/92/02/1165029202.db2.gz VPZFGAILFVCDLM-XVKPBYJWSA-N -1 1 318.341 0.283 20 0 DCADMM CC[C@H](C)[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C(N)=O ZINC001578472299 1165029206 /nfs/dbraw/zinc/02/92/06/1165029206.db2.gz VPZFGAILFVCDLM-XVKPBYJWSA-N -1 1 318.341 0.283 20 0 DCADMM CCc1ccc(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1 ZINC001578526329 1165044019 /nfs/dbraw/zinc/04/40/19/1165044019.db2.gz MBGXJSAHTIUWKI-UHFFFAOYSA-N -1 1 313.321 0.972 20 0 DCADMM CN(CC(=O)NCc1ccco1)c1ccnc(-c2nn[n-]n2)n1 ZINC001579009602 1165186108 /nfs/dbraw/zinc/18/61/08/1165186108.db2.gz JDEPAOIVDBLSHC-UHFFFAOYSA-N -1 1 314.309 0.002 20 0 DCADMM CN(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)C1CCC1 ZINC001579150252 1165224591 /nfs/dbraw/zinc/22/45/91/1165224591.db2.gz XVDLWSUKQHVLGQ-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)C1CCC1 ZINC001579150252 1165224606 /nfs/dbraw/zinc/22/46/06/1165224606.db2.gz XVDLWSUKQHVLGQ-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)C1CCC1 ZINC001579152020 1165225244 /nfs/dbraw/zinc/22/52/44/1165225244.db2.gz CAPQYBLMZUZFAA-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)C1CCC1 ZINC001579152020 1165225251 /nfs/dbraw/zinc/22/52/51/1165225251.db2.gz CAPQYBLMZUZFAA-UHFFFAOYSA-N -1 1 316.369 0.351 20 0 DCADMM CN(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)C(C)(C)F ZINC001579152088 1165225454 /nfs/dbraw/zinc/22/54/54/1165225454.db2.gz DZBUWDFYWYYTSG-UHFFFAOYSA-N -1 1 322.348 0.299 20 0 DCADMM CN(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)C(C)(C)F ZINC001579152088 1165225461 /nfs/dbraw/zinc/22/54/61/1165225461.db2.gz DZBUWDFYWYYTSG-UHFFFAOYSA-N -1 1 322.348 0.299 20 0 DCADMM CN(CCNC(=O)[C@@H]1CC1(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001579167280 1165228295 /nfs/dbraw/zinc/22/82/95/1165228295.db2.gz RMVVMLNTINMOBS-VIFPVBQESA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNC(=O)[C@@H]1CC1(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001579167280 1165228303 /nfs/dbraw/zinc/22/83/03/1165228303.db2.gz RMVVMLNTINMOBS-VIFPVBQESA-N -1 1 316.369 0.255 20 0 DCADMM CN(CCNC(=O)CC(C)(C)C)c1ccnc(-c2nn[n-]n2)n1 ZINC001579174369 1165229342 /nfs/dbraw/zinc/22/93/42/1165229342.db2.gz ULWLUINUQXRMMW-UHFFFAOYSA-N -1 1 318.385 0.645 20 0 DCADMM CN(CCNC(=O)c1ccccc1)c1nccnc1-c1nnn[n-]1 ZINC001579198432 1165235301 /nfs/dbraw/zinc/23/53/01/1165235301.db2.gz CQLUTTNXUXINAP-UHFFFAOYSA-N -1 1 324.348 0.523 20 0 DCADMM CN(CCNC(=O)c1ccccc1)c1nccnc1-c1nn[n-]n1 ZINC001579198432 1165235303 /nfs/dbraw/zinc/23/53/03/1165235303.db2.gz CQLUTTNXUXINAP-UHFFFAOYSA-N -1 1 324.348 0.523 20 0 DCADMM COc1cccc([C@H](N)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC001579263871 1165253619 /nfs/dbraw/zinc/25/36/19/1165253619.db2.gz XYHTVGXGLAMLIG-AWEZNQCLSA-N -1 1 311.345 0.989 20 0 DCADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001579276985 1165259504 /nfs/dbraw/zinc/25/95/04/1165259504.db2.gz RRHIMCMXCXGWPH-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001579276985 1165259512 /nfs/dbraw/zinc/25/95/12/1165259512.db2.gz RRHIMCMXCXGWPH-JTQLQIEISA-N -1 1 314.353 0.104 20 0 DCADMM CNC(=O)C[C@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579388509 1165295686 /nfs/dbraw/zinc/29/56/86/1165295686.db2.gz DGRWDIQVTAUVNW-ZETCQYMHSA-N -1 1 323.382 0.252 20 0 DCADMM CNS(=O)(=O)c1ccc(Cn2ccnc2-c2nnn[n-]2)cc1 ZINC001579428598 1165306357 /nfs/dbraw/zinc/30/63/57/1165306357.db2.gz QNFZIZVNVJOVER-UHFFFAOYSA-N -1 1 319.350 0.020 20 0 DCADMM CNS(=O)(=O)c1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC001579428598 1165306363 /nfs/dbraw/zinc/30/63/63/1165306363.db2.gz QNFZIZVNVJOVER-UHFFFAOYSA-N -1 1 319.350 0.020 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1 ZINC001579445656 1165311184 /nfs/dbraw/zinc/31/11/84/1165311184.db2.gz GACUSRPTCNBXFQ-CDLYGTGVSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1 ZINC001579445656 1165311190 /nfs/dbraw/zinc/31/11/90/1165311190.db2.gz GACUSRPTCNBXFQ-CDLYGTGVSA-N -1 1 315.337 0.656 20 0 DCADMM COC(=O)c1ccc(N2CC[C@H](C)[C@@H](O)C2)c(-c2nnn[n-]2)n1 ZINC001579482373 1165326735 /nfs/dbraw/zinc/32/67/35/1165326735.db2.gz FYKBRCVPSKRRFY-KWQFWETISA-N -1 1 318.337 0.255 20 0 DCADMM COC(=O)c1ccc(N2CC[C@H](C)[C@@H](O)C2)c(-c2nn[n-]n2)n1 ZINC001579482373 1165326740 /nfs/dbraw/zinc/32/67/40/1165326740.db2.gz FYKBRCVPSKRRFY-KWQFWETISA-N -1 1 318.337 0.255 20 0 DCADMM COC(=O)c1csc(Cn2cc(-c3nn[n-]n3)ccc2=O)n1 ZINC001579492187 1165331134 /nfs/dbraw/zinc/33/11/34/1165331134.db2.gz XHSVMLFWWSBQGQ-UHFFFAOYSA-N -1 1 318.318 0.320 20 0 DCADMM COC(=O)c1cnc(CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001579489344 1165331761 /nfs/dbraw/zinc/33/17/61/1165331761.db2.gz ZNNAOBJJFGRKRT-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM COC(=O)c1cnc(CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001579489344 1165331768 /nfs/dbraw/zinc/33/17/68/1165331768.db2.gz ZNNAOBJJFGRKRT-UHFFFAOYSA-N -1 1 318.322 0.512 20 0 DCADMM CO[C@@H]1CC[C@@H](NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001579613359 1165358476 /nfs/dbraw/zinc/35/84/76/1165358476.db2.gz UCTOCNLHEOJOJK-RKDXNWHRSA-N -1 1 318.337 0.573 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001579618134 1165361566 /nfs/dbraw/zinc/36/15/66/1165361566.db2.gz IPVZLNOMIOZPQL-BXKDBHETSA-N -1 1 318.337 0.043 20 0 DCADMM CO[C@@H]1COCC[C@@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001579618134 1165361572 /nfs/dbraw/zinc/36/15/72/1165361572.db2.gz IPVZLNOMIOZPQL-BXKDBHETSA-N -1 1 318.337 0.043 20 0 DCADMM COCc1cccc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001579833072 1165406401 /nfs/dbraw/zinc/40/64/01/1165406401.db2.gz JFSJUQVYLRDYIA-UHFFFAOYSA-N -1 1 313.321 0.917 20 0 DCADMM COCc1nocc1C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001579846475 1165410433 /nfs/dbraw/zinc/41/04/33/1165410433.db2.gz LAZVXORRFNJWPG-UHFFFAOYSA-N -1 1 318.297 0.295 20 0 DCADMM COCc1nocc1C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001579846475 1165410436 /nfs/dbraw/zinc/41/04/36/1165410436.db2.gz LAZVXORRFNJWPG-UHFFFAOYSA-N -1 1 318.297 0.295 20 0 DCADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)[nH]n1 ZINC001579935115 1165443023 /nfs/dbraw/zinc/44/30/23/1165443023.db2.gz HTKPUDDMSHFCGQ-UHFFFAOYSA-N -1 1 320.700 0.899 20 0 DCADMM COc1cccc(OC)c1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001580070940 1165491726 /nfs/dbraw/zinc/49/17/26/1165491726.db2.gz KAXZHDGHVMIKJR-UHFFFAOYSA-N -1 1 313.321 0.708 20 0 DCADMM CS(C)(=O)=NCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001580172526 1165528484 /nfs/dbraw/zinc/52/84/84/1165528484.db2.gz ASFHXRPFPMRYGL-UHFFFAOYSA-N -1 1 322.398 0.674 20 0 DCADMM CS(C)(=O)=NCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001580172526 1165528491 /nfs/dbraw/zinc/52/84/91/1165528491.db2.gz ASFHXRPFPMRYGL-UHFFFAOYSA-N -1 1 322.398 0.674 20 0 DCADMM CS[C@H](C)C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001580191973 1165533345 /nfs/dbraw/zinc/53/33/45/1165533345.db2.gz HTTUAWKJUWQANB-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM CS[C@H](C)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001580191973 1165533352 /nfs/dbraw/zinc/53/33/52/1165533352.db2.gz HTTUAWKJUWQANB-HTQZYQBOSA-N -1 1 322.398 0.325 20 0 DCADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CCCC1 ZINC001580286143 1165558800 /nfs/dbraw/zinc/55/88/00/1165558800.db2.gz YQJDUQGFVTVIFA-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CCCC1 ZINC001580286143 1165558807 /nfs/dbraw/zinc/55/88/07/1165558807.db2.gz YQJDUQGFVTVIFA-VIFPVBQESA-N -1 1 316.369 0.764 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C=Cc2cnn(C)c2)nn1C ZINC001580522021 1165629209 /nfs/dbraw/zinc/62/92/09/1165629209.db2.gz IRZLPBCBWBTENL-PLNGDYQASA-N -1 1 313.325 0.294 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C=Cc2cnn(C)c2)nn1C ZINC001580522021 1165629213 /nfs/dbraw/zinc/62/92/13/1165629213.db2.gz IRZLPBCBWBTENL-PLNGDYQASA-N -1 1 313.325 0.294 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2ccc(F)cc2)c(=O)n1C ZINC001580522832 1165629643 /nfs/dbraw/zinc/62/96/43/1165629643.db2.gz WISJKJIQQFIRDN-UHFFFAOYSA-N -1 1 316.296 0.223 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@]12CCOC2 ZINC001580597670 1165649097 /nfs/dbraw/zinc/64/90/97/1165649097.db2.gz LANQWNQFQLAVDA-CQSZACIVSA-N -1 1 316.321 0.281 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@@H](C)OC[C@H]1C ZINC001580597958 1165649881 /nfs/dbraw/zinc/64/98/81/1165649881.db2.gz PIXROHPDMHRYBX-RKDXNWHRSA-N -1 1 318.337 0.525 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC001580597956 1165650551 /nfs/dbraw/zinc/65/05/51/1165650551.db2.gz PIXROHPDMHRYBX-DTWKUNHWSA-N -1 1 318.337 0.525 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1Cc2cncnc2C1 ZINC001580600815 1165651766 /nfs/dbraw/zinc/65/17/66/1165651766.db2.gz QFUAGRBWUDUOLL-UHFFFAOYSA-N -1 1 324.304 0.222 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@@H](C)CC1 ZINC001580600037 1165651860 /nfs/dbraw/zinc/65/18/60/1165651860.db2.gz LFOPCHAEHIFDJD-VIFPVBQESA-N -1 1 318.337 0.527 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H]1CC[C@@H](C)O1 ZINC001580604245 1165652985 /nfs/dbraw/zinc/65/29/85/1165652985.db2.gz OZHBKKISDZDUSW-RKDXNWHRSA-N -1 1 318.337 0.573 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC[C@H]1CCCO1 ZINC001580605618 1165654859 /nfs/dbraw/zinc/65/48/59/1165654859.db2.gz ABBSYYWDCHHLQM-SECBINFHSA-N -1 1 318.337 0.575 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](c3cc(=O)[nH][nH]3)C2)n1 ZINC001580663221 1165678554 /nfs/dbraw/zinc/67/85/54/1165678554.db2.gz JTKHNRSPRCNVOK-QMMMGPOBSA-N -1 1 313.325 0.388 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2nnnn2C2CC2)n1 ZINC001580695240 1165689351 /nfs/dbraw/zinc/68/93/51/1165689351.db2.gz VRVJKJMSZZLTPP-ZETCQYMHSA-N -1 1 313.329 0.460 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2nnnn2C2CC2)n1 ZINC001580695240 1165689358 /nfs/dbraw/zinc/68/93/58/1165689358.db2.gz VRVJKJMSZZLTPP-ZETCQYMHSA-N -1 1 313.329 0.460 20 0 DCADMM Cc1cncc(CCNC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001581327918 1165813461 /nfs/dbraw/zinc/81/34/61/1165813461.db2.gz LDIMXGKYQXJANL-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1cncc(CCNC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001581327918 1165813470 /nfs/dbraw/zinc/81/34/70/1165813470.db2.gz LDIMXGKYQXJANL-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1[nH]nc(Cl)c1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581401416 1165821741 /nfs/dbraw/zinc/82/17/41/1165821741.db2.gz IEADDDZSLXALQU-UHFFFAOYSA-N -1 1 324.757 0.938 20 0 DCADMM Cc1[nH]nc(Cl)c1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581401416 1165821743 /nfs/dbraw/zinc/82/17/43/1165821743.db2.gz IEADDDZSLXALQU-UHFFFAOYSA-N -1 1 324.757 0.938 20 0 DCADMM Cc1nnc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)[nH]1 ZINC001581400657 1165821821 /nfs/dbraw/zinc/82/18/21/1165821821.db2.gz AJYCMPUZVCDBJZ-UHFFFAOYSA-N -1 1 320.263 0.501 20 0 DCADMM Cc1nc(CNc2cccc(-c3nnn[n-]3)n2)sc1C(N)=O ZINC001581454319 1165830510 /nfs/dbraw/zinc/83/05/10/1165830510.db2.gz UHTPIJJHRYEKJX-UHFFFAOYSA-N -1 1 316.350 0.738 20 0 DCADMM Cc1nc(CNc2cccc(-c3nn[n-]n3)n2)sc1C(N)=O ZINC001581454319 1165830516 /nfs/dbraw/zinc/83/05/16/1165830516.db2.gz UHTPIJJHRYEKJX-UHFFFAOYSA-N -1 1 316.350 0.738 20 0 DCADMM Cc1nc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)nn1C ZINC001581485316 1165833829 /nfs/dbraw/zinc/83/38/29/1165833829.db2.gz BELAEZUQVHWZAG-UHFFFAOYSA-N -1 1 320.342 0.082 20 0 DCADMM Cc1nc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)nn1C ZINC001581485316 1165833832 /nfs/dbraw/zinc/83/38/32/1165833832.db2.gz BELAEZUQVHWZAG-UHFFFAOYSA-N -1 1 320.342 0.082 20 0 DCADMM Cc1ncsc1CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001581587998 1165846423 /nfs/dbraw/zinc/84/64/23/1165846423.db2.gz IYVZZWTXFSSTTP-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1ncsc1CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001581587998 1165846430 /nfs/dbraw/zinc/84/64/30/1165846430.db2.gz IYVZZWTXFSSTTP-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1nnc(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001581608091 1165849798 /nfs/dbraw/zinc/84/97/98/1165849798.db2.gz ALCFSKFWMIQQAZ-UHFFFAOYSA-N -1 1 321.391 0.947 20 0 DCADMM Cc1nn(C)cc1CC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581601267 1165850317 /nfs/dbraw/zinc/85/03/17/1165850317.db2.gz SSBIQMJPLCHEMW-UHFFFAOYSA-N -1 1 317.378 0.829 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H]3OCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC001581739177 1165864180 /nfs/dbraw/zinc/86/41/80/1165864180.db2.gz LXBBHIJFUJDMTM-KOLCDFICSA-N -1 1 318.337 0.343 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H]3OCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC001581739177 1165864186 /nfs/dbraw/zinc/86/41/86/1165864186.db2.gz LXBBHIJFUJDMTM-KOLCDFICSA-N -1 1 318.337 0.343 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CC23CCOCC3)c1-c1nnn[n-]1 ZINC001581739281 1165865339 /nfs/dbraw/zinc/86/53/39/1165865339.db2.gz OLVSFFOCZJGLQI-SNVBAGLBSA-N -1 1 318.337 0.391 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CC23CCOCC3)c1-c1nn[n-]n1 ZINC001581739281 1165865345 /nfs/dbraw/zinc/86/53/45/1165865345.db2.gz OLVSFFOCZJGLQI-SNVBAGLBSA-N -1 1 318.337 0.391 20 0 DCADMM Cn1c(=O)[nH]c(Oc2cc(F)ccc2F)c(-c2nn[n-]n2)c1=O ZINC001581747341 1165865802 /nfs/dbraw/zinc/86/58/02/1165865802.db2.gz JVCJIEAMJJCTFW-UHFFFAOYSA-N -1 1 322.231 0.324 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ocnc2C(F)F)n1 ZINC001581754789 1165869584 /nfs/dbraw/zinc/86/95/84/1165869584.db2.gz LYKVFALHKGUVIK-UHFFFAOYSA-N -1 1 310.224 0.778 20 0 DCADMM Cn1ncc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001581832665 1165883402 /nfs/dbraw/zinc/88/34/02/1165883402.db2.gz OVHLQVIMGCYSBR-UHFFFAOYSA-N -1 1 319.354 0.056 20 0 DCADMM NC(=O)c1ccc(CNC(=O)c2csc(-c3nn[n-]n3)c2)o1 ZINC001581904636 1165910540 /nfs/dbraw/zinc/91/05/40/1165910540.db2.gz PZDAAALUZWUIBN-UHFFFAOYSA-N -1 1 318.318 0.550 20 0 DCADMM NC(=O)c1csc(CNc2cccc(-c3nnn[n-]3)n2)n1 ZINC001581906315 1165910623 /nfs/dbraw/zinc/91/06/23/1165910623.db2.gz PDZPKUFNMVHYPF-UHFFFAOYSA-N -1 1 302.323 0.429 20 0 DCADMM NC(=O)c1csc(CNc2cccc(-c3nn[n-]n3)n2)n1 ZINC001581906315 1165910627 /nfs/dbraw/zinc/91/06/27/1165910627.db2.gz PDZPKUFNMVHYPF-UHFFFAOYSA-N -1 1 302.323 0.429 20 0 DCADMM Nc1c[nH]nc1[C@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001581910507 1165912879 /nfs/dbraw/zinc/91/28/79/1165912879.db2.gz ULHYSLYXVKROTK-ZETCQYMHSA-N -1 1 314.309 0.395 20 0 DCADMM O=C(CC1CC1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001581968902 1165925057 /nfs/dbraw/zinc/92/50/57/1165925057.db2.gz QSRKVXUICMOJHX-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CC1CC1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001581968902 1165925065 /nfs/dbraw/zinc/92/50/65/1165925065.db2.gz QSRKVXUICMOJHX-JTQLQIEISA-N -1 1 314.353 0.470 20 0 DCADMM O=C(CCCF)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001582041782 1165942167 /nfs/dbraw/zinc/94/21/67/1165942167.db2.gz RBADHAXWCYQXQC-SECBINFHSA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CCCF)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001582041782 1165942170 /nfs/dbraw/zinc/94/21/70/1165942170.db2.gz RBADHAXWCYQXQC-SECBINFHSA-N -1 1 320.332 0.419 20 0 DCADMM O=C(CSc1cccnc1-c1nnn[n-]1)Nc1ccncc1 ZINC001582133710 1165963614 /nfs/dbraw/zinc/96/36/14/1165963614.db2.gz SCXNOZFWJZYFQV-UHFFFAOYSA-N -1 1 313.346 0.809 20 0 DCADMM O=C(CSc1cccnc1-c1nn[n-]n1)Nc1ccncc1 ZINC001582133710 1165963625 /nfs/dbraw/zinc/96/36/25/1165963625.db2.gz SCXNOZFWJZYFQV-UHFFFAOYSA-N -1 1 313.346 0.809 20 0 DCADMM O=C(N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C1CC1 ZINC001582228514 1165986136 /nfs/dbraw/zinc/98/61/36/1165986136.db2.gz XOVMFPUUUNQXRZ-SNVBAGLBSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C1CC1 ZINC001582228514 1165986142 /nfs/dbraw/zinc/98/61/42/1165986142.db2.gz XOVMFPUUUNQXRZ-SNVBAGLBSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(N[C@@H](CO)[C@H]1CCOC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001582231368 1165987649 /nfs/dbraw/zinc/98/76/49/1165987649.db2.gz PXSQUKRHPLFCEG-KWQFWETISA-N -1 1 321.312 0.133 20 0 DCADMM O=C(N[C@@H](CO)[C@H]1CCOC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001582231368 1165987655 /nfs/dbraw/zinc/98/76/55/1165987655.db2.gz PXSQUKRHPLFCEG-KWQFWETISA-N -1 1 321.312 0.133 20 0 DCADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1cscc1Cl ZINC001582528667 1166032755 /nfs/dbraw/zinc/03/27/55/1166032755.db2.gz HVAJGGZMYBKOGM-UHFFFAOYSA-N -1 1 324.757 0.603 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H](CO)CC1CC1 ZINC001582548420 1166040327 /nfs/dbraw/zinc/04/03/27/1166040327.db2.gz ATRJENSEEXNDNS-VIFPVBQESA-N -1 1 322.394 0.888 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1(F)CCOCC1 ZINC001582554837 1166042393 /nfs/dbraw/zinc/04/23/93/1166042393.db2.gz OBCWFPAGDZKWIX-UHFFFAOYSA-N -1 1 306.301 0.397 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1(F)CCOCC1 ZINC001582554837 1166042400 /nfs/dbraw/zinc/04/24/00/1166042400.db2.gz OBCWFPAGDZKWIX-UHFFFAOYSA-N -1 1 306.301 0.397 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001582647582 1166058909 /nfs/dbraw/zinc/05/89/09/1166058909.db2.gz DAGSZLDDMRKVHD-UBHAPETDSA-N -1 1 315.337 0.496 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001582647582 1166058920 /nfs/dbraw/zinc/05/89/20/1166058920.db2.gz DAGSZLDDMRKVHD-UBHAPETDSA-N -1 1 315.337 0.496 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CCCCNC1=O ZINC001582648080 1166061331 /nfs/dbraw/zinc/06/13/31/1166061331.db2.gz NGCRADZUQOAKCJ-SECBINFHSA-N -1 1 316.325 0.052 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CCCCNC1=O ZINC001582648080 1166061335 /nfs/dbraw/zinc/06/13/35/1166061335.db2.gz NGCRADZUQOAKCJ-SECBINFHSA-N -1 1 316.325 0.052 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCc2cc[nH]c(=O)c21 ZINC001582701772 1166068234 /nfs/dbraw/zinc/06/82/34/1166068234.db2.gz YXBUOHQYYMKARH-UHFFFAOYSA-N -1 1 323.316 0.955 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCc2cc[nH]c(=O)c21 ZINC001582701772 1166068237 /nfs/dbraw/zinc/06/82/37/1166068237.db2.gz YXBUOHQYYMKARH-UHFFFAOYSA-N -1 1 323.316 0.955 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2cc(F)cnc21 ZINC001582701375 1166068820 /nfs/dbraw/zinc/06/88/20/1166068820.db2.gz LSWTXDYMWKFUQD-UHFFFAOYSA-N -1 1 311.280 0.999 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2cc(F)cnc21 ZINC001582701375 1166068827 /nfs/dbraw/zinc/06/88/27/1166068827.db2.gz LSWTXDYMWKFUQD-UHFFFAOYSA-N -1 1 311.280 0.999 20 0 DCADMM O=C1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)Oc2ccccc21 ZINC001582760121 1166075535 /nfs/dbraw/zinc/07/55/35/1166075535.db2.gz LMRXWYVYMUNWBU-VIFPVBQESA-N -1 1 323.316 0.525 20 0 DCADMM O=C(N[C@]12CC(=O)N[C@H]1CCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001582777937 1166080555 /nfs/dbraw/zinc/08/05/55/1166080555.db2.gz MTKCNENIIBQOGF-IINYFYTJSA-N -1 1 316.321 0.391 20 0 DCADMM O=C(N[C@]12CC(=O)N[C@H]1CCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001582777937 1166080558 /nfs/dbraw/zinc/08/05/58/1166080558.db2.gz MTKCNENIIBQOGF-IINYFYTJSA-N -1 1 316.321 0.391 20 0 DCADMM O=CN1CCC[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001582791189 1166081763 /nfs/dbraw/zinc/08/17/63/1166081763.db2.gz VFXPTOCEQVTLBB-QMMMGPOBSA-N -1 1 316.325 0.027 20 0 DCADMM O=S(=O)(NCc1cc[nH]n1)c1ccc(F)cc1-c1nn[n-]n1 ZINC001582796562 1166083933 /nfs/dbraw/zinc/08/39/33/1166083933.db2.gz ZQNXQDXJXOBQAC-UHFFFAOYSA-N -1 1 323.313 0.207 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582797848 1166084150 /nfs/dbraw/zinc/08/41/50/1166084150.db2.gz MMYFFIONODQQSL-CMPLNLGQSA-N -1 1 320.378 0.729 20 0 DCADMM O=S(=O)(N[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582797848 1166084155 /nfs/dbraw/zinc/08/41/55/1166084155.db2.gz MMYFFIONODQQSL-CMPLNLGQSA-N -1 1 320.378 0.729 20 0 DCADMM O=c1c(-c2nn[n-]n2)cncn1CCc1noc2ccccc12 ZINC001582806088 1166086836 /nfs/dbraw/zinc/08/68/36/1166086836.db2.gz GRLVPQPGQKVGPC-UHFFFAOYSA-N -1 1 309.289 0.807 20 0 DCADMM O[C@H](CNc1cncc(-c2nnn[n-]2)n1)Cc1ccc(F)cc1 ZINC001582809944 1166087632 /nfs/dbraw/zinc/08/76/32/1166087632.db2.gz SXPOFCDYQQQNPM-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM O[C@H](CNc1cncc(-c2nn[n-]n2)n1)Cc1ccc(F)cc1 ZINC001582809944 1166087636 /nfs/dbraw/zinc/08/76/36/1166087636.db2.gz SXPOFCDYQQQNPM-NSHDSACASA-N -1 1 315.312 0.811 20 0 DCADMM OC[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H]1C(F)(F)F ZINC001582814175 1166093488 /nfs/dbraw/zinc/09/34/88/1166093488.db2.gz XSGAFTPHUFGZED-JGVFFNPUSA-N -1 1 314.271 0.869 20 0 DCADMM OC[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H]1C(F)(F)F ZINC001582814175 1166093492 /nfs/dbraw/zinc/09/34/92/1166093492.db2.gz XSGAFTPHUFGZED-JGVFFNPUSA-N -1 1 314.271 0.869 20 0 DCADMM O=C(CCN1C(=O)CCC1=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001583636739 1166275388 /nfs/dbraw/zinc/27/53/88/1166275388.db2.gz SJKILOUHJINXLU-UHFFFAOYSA-N -1 1 318.333 0.539 20 0 DCADMM CC(C)C[C@]1(C(=O)N2CCC(c3nn[n-]n3)CC2)CCNC1=O ZINC001587876304 1166514407 /nfs/dbraw/zinc/51/44/07/1166514407.db2.gz ZEBCYIKCKCPSJX-OAHLLOKOSA-N -1 1 320.397 0.458 20 0 DCADMM CC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001588807044 1166592239 /nfs/dbraw/zinc/59/22/39/1166592239.db2.gz WFOZNIHJBNTVSQ-SNVBAGLBSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001588807044 1166592246 /nfs/dbraw/zinc/59/22/46/1166592246.db2.gz WFOZNIHJBNTVSQ-SNVBAGLBSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588809465 1166594454 /nfs/dbraw/zinc/59/44/54/1166594454.db2.gz FLOQIGOWBUKFKR-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588809465 1166594461 /nfs/dbraw/zinc/59/44/61/1166594461.db2.gz FLOQIGOWBUKFKR-SCZZXKLOSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001588812022 1166595490 /nfs/dbraw/zinc/59/54/90/1166595490.db2.gz GPUUOBISHUAQBI-WPRPVWTQSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001588812022 1166595495 /nfs/dbraw/zinc/59/54/95/1166595495.db2.gz GPUUOBISHUAQBI-WPRPVWTQSA-N -1 1 302.342 0.468 20 0 DCADMM CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001588811557 1166595640 /nfs/dbraw/zinc/59/56/40/1166595640.db2.gz CAZKBCQQMBNLPB-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588811557 1166595649 /nfs/dbraw/zinc/59/56/49/1166595649.db2.gz CAZKBCQQMBNLPB-WPRPVWTQSA-N -1 1 302.342 0.326 20 0 DCADMM CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001588818199 1166596497 /nfs/dbraw/zinc/59/64/97/1166596497.db2.gz CZKKTCVBCHRBET-KOLCDFICSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001588818199 1166596500 /nfs/dbraw/zinc/59/65/00/1166596500.db2.gz CZKKTCVBCHRBET-KOLCDFICSA-N -1 1 316.369 0.858 20 0 DCADMM CC(=O)NCCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588862842 1166610889 /nfs/dbraw/zinc/61/08/89/1166610889.db2.gz ZNIHRRTXKVTDCP-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NCCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588862842 1166610893 /nfs/dbraw/zinc/61/08/93/1166610893.db2.gz ZNIHRRTXKVTDCP-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588868200 1166613772 /nfs/dbraw/zinc/61/37/72/1166613772.db2.gz BSKRDRVRFLBHML-BYPYZUCNSA-N -1 1 301.763 0.913 20 0 DCADMM CC(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588868200 1166613778 /nfs/dbraw/zinc/61/37/78/1166613778.db2.gz BSKRDRVRFLBHML-BYPYZUCNSA-N -1 1 301.763 0.913 20 0 DCADMM C[C@@H](C(=O)N(C)Cc1cccnc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943110 1166622383 /nfs/dbraw/zinc/62/23/83/1166622383.db2.gz JZDZIJNZNLJOGF-VIFPVBQESA-N -1 1 313.325 0.073 20 0 DCADMM C[C@@H](C(=O)NC1CCC=CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588973647 1166624336 /nfs/dbraw/zinc/62/43/36/1166624336.db2.gz UNWWMJGBJAMKMI-VIFPVBQESA-N -1 1 302.342 0.634 20 0 DCADMM C[C@H](C(=O)NCC1CCC(F)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588984197 1166626722 /nfs/dbraw/zinc/62/67/22/1166626722.db2.gz WKFMOSHBNGDSJF-XNWIYYODSA-N -1 1 322.348 0.664 20 0 DCADMM C[C@@H](C(=O)Nc1cccnc1Cl)n1cnc(-c2nn[n-]n2)n1 ZINC001589022443 1166628434 /nfs/dbraw/zinc/62/84/34/1166628434.db2.gz YNJIVBCZHUDZFF-LURJTMIESA-N -1 1 319.716 0.706 20 0 DCADMM C[C@@H](C(=O)OCC=C(Cl)Cl)n1cnc(-c2nn[n-]n2)n1 ZINC001589025732 1166628909 /nfs/dbraw/zinc/62/89/09/1166628909.db2.gz BVBPHMXDITULTN-YFKPBYRVSA-N -1 1 318.124 0.881 20 0 DCADMM C[C@H](C(=O)Nc1cnc2ccccn21)n1cnc(-c2nn[n-]n2)n1 ZINC001589021536 1166629699 /nfs/dbraw/zinc/62/96/99/1166629699.db2.gz ONZHKNJGOSRSEI-MRVPVSSYSA-N -1 1 324.308 0.306 20 0 DCADMM C[C@H](C(=O)OC[C@@H]1C[C@H]1C1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029850 1166630668 /nfs/dbraw/zinc/63/06/68/1166630668.db2.gz HOFLGSQGPAKGTO-JEZHCXPESA-N -1 1 303.326 0.609 20 0 DCADMM C[C@H](C(=O)OCCOCC1CCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029901 1166630695 /nfs/dbraw/zinc/63/06/95/1166630695.db2.gz IRIAMGYZKMHEGG-SECBINFHSA-N -1 1 321.341 0.379 20 0 DCADMM C[C@@H](C(=O)Oc1cccc(F)c1F)n1cnc(-c2nn[n-]n2)n1 ZINC001589032790 1166631684 /nfs/dbraw/zinc/63/16/84/1166631684.db2.gz RFORVKITXSQWCB-LURJTMIESA-N -1 1 321.247 0.903 20 0 DCADMM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589095282 1166634623 /nfs/dbraw/zinc/63/46/23/1166634623.db2.gz IOLYMDJCXPIZCU-ONGXEEELSA-N -1 1 323.353 0.348 20 0 DCADMM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589095282 1166634629 /nfs/dbraw/zinc/63/46/29/1166634629.db2.gz IOLYMDJCXPIZCU-ONGXEEELSA-N -1 1 323.353 0.348 20 0 DCADMM CC(C)(C)OC(=O)C1CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589148545 1166637878 /nfs/dbraw/zinc/63/78/78/1166637878.db2.gz JGHMBWHTNWHJFF-UHFFFAOYSA-N -1 1 303.326 0.435 20 0 DCADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)C(=O)N1CCCC1 ZINC001589292764 1166643694 /nfs/dbraw/zinc/64/36/94/1166643694.db2.gz JVDWNELGVXOSNV-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)C(=O)N1CCCC1 ZINC001589292764 1166643701 /nfs/dbraw/zinc/64/37/01/1166643701.db2.gz JVDWNELGVXOSNV-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)[C@]1(O)CCOC1 ZINC001589292378 1166644172 /nfs/dbraw/zinc/64/41/72/1166644172.db2.gz APBNMVUVLGAECJ-ZDUSSCGKSA-N -1 1 305.342 0.246 20 0 DCADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)[C@]1(O)CCOC1 ZINC001589292378 1166644178 /nfs/dbraw/zinc/64/41/78/1166644178.db2.gz APBNMVUVLGAECJ-ZDUSSCGKSA-N -1 1 305.342 0.246 20 0 DCADMM CC(C)(O)[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589328390 1166649298 /nfs/dbraw/zinc/64/92/98/1166649298.db2.gz VMTFWPMJEMENMK-LLVKDONJSA-N -1 1 302.338 0.637 20 0 DCADMM CC(C)(O)[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589328390 1166649304 /nfs/dbraw/zinc/64/93/04/1166649304.db2.gz VMTFWPMJEMENMK-LLVKDONJSA-N -1 1 302.338 0.637 20 0 DCADMM CC(C)=CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001589361612 1166651295 /nfs/dbraw/zinc/65/12/95/1166651295.db2.gz CTTCCYBNSABBNU-UHFFFAOYSA-N -1 1 314.353 0.272 20 0 DCADMM CC(C)=CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001589361612 1166651299 /nfs/dbraw/zinc/65/12/99/1166651299.db2.gz CTTCCYBNSABBNU-UHFFFAOYSA-N -1 1 314.353 0.272 20 0 DCADMM CC(C)=CC(=O)NCC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001589368251 1166652274 /nfs/dbraw/zinc/65/22/74/1166652274.db2.gz SYTHWJKRXXRPHF-SNVBAGLBSA-N -1 1 316.369 0.930 20 0 DCADMM CC(C)=CC(=O)NCC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001589368251 1166652277 /nfs/dbraw/zinc/65/22/77/1166652277.db2.gz SYTHWJKRXXRPHF-SNVBAGLBSA-N -1 1 316.369 0.930 20 0 DCADMM CC(C)[C@H]1CN(Cn2cccc(-c3nn[n-]n3)c2=O)CCCO1 ZINC001589516590 1166664522 /nfs/dbraw/zinc/66/45/22/1166664522.db2.gz FMMKAMUQCGGEBZ-CYBMUJFWSA-N -1 1 318.381 0.733 20 0 DCADMM CC(C)C[C@H](C)N(C)C(=O)Cn1cncc(-c2nn[n-]n2)c1=O ZINC001589550424 1166666355 /nfs/dbraw/zinc/66/63/55/1166666355.db2.gz IDVJLCQADIFBPG-JTQLQIEISA-N -1 1 319.369 0.316 20 0 DCADMM CC(C)CN(C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC001589614050 1166669253 /nfs/dbraw/zinc/66/92/53/1166669253.db2.gz ODDWJUHCZGPEBJ-SECBINFHSA-N -1 1 304.358 0.666 20 0 DCADMM CC(C)OC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001589746193 1166681501 /nfs/dbraw/zinc/68/15/01/1166681501.db2.gz MHTXIDBPOTXKLU-JTQLQIEISA-N -1 1 305.342 0.287 20 0 DCADMM CC(C)OC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001589746193 1166681504 /nfs/dbraw/zinc/68/15/04/1166681504.db2.gz MHTXIDBPOTXKLU-JTQLQIEISA-N -1 1 305.342 0.287 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589850349 1166699299 /nfs/dbraw/zinc/69/92/99/1166699299.db2.gz ISXWWCMWDSFZHK-MRVPVSSYSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@H](CNC(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589850349 1166699305 /nfs/dbraw/zinc/69/93/05/1166699305.db2.gz ISXWWCMWDSFZHK-MRVPVSSYSA-N -1 1 304.358 0.619 20 0 DCADMM C[C@@H](CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589850992 1166699481 /nfs/dbraw/zinc/69/94/81/1166699481.db2.gz WUWQJZKDFQWHQX-QMMMGPOBSA-N -1 1 315.337 0.363 20 0 DCADMM C[C@@H](CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589850992 1166699483 /nfs/dbraw/zinc/69/94/83/1166699483.db2.gz WUWQJZKDFQWHQX-QMMMGPOBSA-N -1 1 315.337 0.363 20 0 DCADMM C[C@@H](CNC(=O)C=C1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589854086 1166699505 /nfs/dbraw/zinc/69/95/05/1166699505.db2.gz SINORTWQCVVEAJ-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@@H](CNC(=O)C=C1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589854086 1166699508 /nfs/dbraw/zinc/69/95/08/1166699508.db2.gz SINORTWQCVVEAJ-VIFPVBQESA-N -1 1 314.353 0.684 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H](O)C(F)(F)F ZINC001589944785 1166726176 /nfs/dbraw/zinc/72/61/76/1166726176.db2.gz VIMVGEPWYSFWKZ-MHTLYPKNSA-N -1 1 305.216 0.501 20 0 DCADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@@H](O)C(F)(F)F ZINC001589944785 1166726180 /nfs/dbraw/zinc/72/61/80/1166726180.db2.gz VIMVGEPWYSFWKZ-MHTLYPKNSA-N -1 1 305.216 0.501 20 0 DCADMM C[C@@H](O)C[C@H](C)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589996038 1166743446 /nfs/dbraw/zinc/74/34/46/1166743446.db2.gz GBWGWOZZLCBLTE-DTWKUNHWSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@@H](O)C[C@H](C)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589996038 1166743454 /nfs/dbraw/zinc/74/34/54/1166743454.db2.gz GBWGWOZZLCBLTE-DTWKUNHWSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@@H](c1nc(C[C@@H]2CCCO2)no1)n1cnc(-c2nn[n-]n2)n1 ZINC001590054281 1166760604 /nfs/dbraw/zinc/76/06/04/1166760604.db2.gz QJHWZEHUQUMOLY-YUMQZZPRSA-N -1 1 317.313 0.172 20 0 DCADMM CC1(C(N)=O)CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC001590073651 1166766133 /nfs/dbraw/zinc/76/61/33/1166766133.db2.gz WCDXTWAAMSSMTJ-UHFFFAOYSA-N -1 1 309.333 0.727 20 0 DCADMM CC1(C(N)=O)CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC001590073651 1166766137 /nfs/dbraw/zinc/76/61/37/1166766137.db2.gz WCDXTWAAMSSMTJ-UHFFFAOYSA-N -1 1 309.333 0.727 20 0 DCADMM CC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC[S@]1=O ZINC001590100055 1166772528 /nfs/dbraw/zinc/77/25/28/1166772528.db2.gz OSTJOBIHAPJXIJ-OAQYLSRUSA-N -1 1 307.383 0.394 20 0 DCADMM CC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC[S@]1=O ZINC001590100055 1166772533 /nfs/dbraw/zinc/77/25/33/1166772533.db2.gz OSTJOBIHAPJXIJ-OAQYLSRUSA-N -1 1 307.383 0.394 20 0 DCADMM CC1(C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)[C@@H]2COC[C@@H]21 ZINC001590104319 1166773580 /nfs/dbraw/zinc/77/35/80/1166773580.db2.gz WRXSEAHFWMVNID-CMPLNLGQSA-N -1 1 314.349 0.759 20 0 DCADMM CC1(C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)[C@@H]2COC[C@@H]21 ZINC001590104319 1166773588 /nfs/dbraw/zinc/77/35/88/1166773588.db2.gz WRXSEAHFWMVNID-CMPLNLGQSA-N -1 1 314.349 0.759 20 0 DCADMM C[C@]1(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCOC1=O ZINC001590145004 1166787453 /nfs/dbraw/zinc/78/74/53/1166787453.db2.gz LXLCGRQZWJHCOL-LBPRGKRZSA-N -1 1 303.282 0.089 20 0 DCADMM C[C@]1(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCOC1=O ZINC001590145004 1166787457 /nfs/dbraw/zinc/78/74/57/1166787457.db2.gz LXLCGRQZWJHCOL-LBPRGKRZSA-N -1 1 303.282 0.089 20 0 DCADMM C[C@]1(COC(=O)c2coc(-c3nnn[n-]3)c2)CCC(=O)NC1 ZINC001590140847 1166788800 /nfs/dbraw/zinc/78/88/00/1166788800.db2.gz XUAZRULFGXBBDS-ZDUSSCGKSA-N -1 1 305.294 0.533 20 0 DCADMM C[C@]1(COC(=O)c2coc(-c3nn[n-]n3)c2)CCC(=O)NC1 ZINC001590140847 1166788806 /nfs/dbraw/zinc/78/88/06/1166788806.db2.gz XUAZRULFGXBBDS-ZDUSSCGKSA-N -1 1 305.294 0.533 20 0 DCADMM Cc1[nH]nc(NC(=O)C2=C(C)OCCS2)c1-c1nn[n-]n1 ZINC001590155179 1166790433 /nfs/dbraw/zinc/79/04/33/1166790433.db2.gz HRTYBRXCOGULET-UHFFFAOYSA-N -1 1 307.339 0.832 20 0 DCADMM C[C@]1(O)CCCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590149948 1166790720 /nfs/dbraw/zinc/79/07/20/1166790720.db2.gz DINZYTWKQQWTKG-AWEZNQCLSA-N -1 1 305.313 0.993 20 0 DCADMM C[C@]1(O)CCCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590149948 1166790727 /nfs/dbraw/zinc/79/07/27/1166790727.db2.gz DINZYTWKQQWTKG-AWEZNQCLSA-N -1 1 305.313 0.993 20 0 DCADMM C[C@H]1[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)CC(=O)N1C ZINC001590181250 1166801527 /nfs/dbraw/zinc/80/15/27/1166801527.db2.gz NEGHXGOMGNAGIP-BQBZGAKWSA-N -1 1 307.335 0.704 20 0 DCADMM C[C@H]1[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)CC(=O)N1C ZINC001590181250 1166801534 /nfs/dbraw/zinc/80/15/34/1166801534.db2.gz NEGHXGOMGNAGIP-BQBZGAKWSA-N -1 1 307.335 0.704 20 0 DCADMM C[C@@H]1C[C@@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCC1=O ZINC001590183758 1166803084 /nfs/dbraw/zinc/80/30/84/1166803084.db2.gz RYFLUKSDBJGQHL-KOLCDFICSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@@H]1C[C@@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCC1=O ZINC001590183758 1166803094 /nfs/dbraw/zinc/80/30/94/1166803094.db2.gz RYFLUKSDBJGQHL-KOLCDFICSA-N -1 1 314.349 0.883 20 0 DCADMM C[C@H]1C[C@@H](C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)CO1 ZINC001590183562 1166804488 /nfs/dbraw/zinc/80/44/88/1166804488.db2.gz XZYGLPBQVIYLLU-VHSXEESVSA-N -1 1 314.349 0.966 20 0 DCADMM C[C@H]1C[C@@H](C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)CO1 ZINC001590183562 1166804499 /nfs/dbraw/zinc/80/44/99/1166804499.db2.gz XZYGLPBQVIYLLU-VHSXEESVSA-N -1 1 314.349 0.966 20 0 DCADMM C[C@H]1C[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001590193648 1166806771 /nfs/dbraw/zinc/80/67/71/1166806771.db2.gz MTORMZZJPWECRV-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@H]1C[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001590193648 1166806778 /nfs/dbraw/zinc/80/67/78/1166806778.db2.gz MTORMZZJPWECRV-UWVGGRQHSA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1=O ZINC001590218477 1166817757 /nfs/dbraw/zinc/81/77/57/1166817757.db2.gz GTCZXTXDKROLCJ-NQMVMOMDSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1C[C@H]1N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1=O ZINC001590218477 1166817766 /nfs/dbraw/zinc/81/77/66/1166817766.db2.gz GTCZXTXDKROLCJ-NQMVMOMDSA-N -1 1 300.326 0.078 20 0 DCADMM C[C@@H]1CCC[C@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001590242343 1166826283 /nfs/dbraw/zinc/82/62/83/1166826283.db2.gz KIZAADJKHOXYNH-ZJUUUORDSA-N -1 1 304.358 0.495 20 0 DCADMM C[C@@H]1CCCC[C@H]1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590255921 1166827402 /nfs/dbraw/zinc/82/74/02/1166827402.db2.gz XCIYRGCKZAUYDA-NXEZZACHSA-N -1 1 319.373 0.336 20 0 DCADMM C[C@@H]1CCC[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)O1 ZINC001590244270 1166827788 /nfs/dbraw/zinc/82/77/88/1166827788.db2.gz RZNRAXFKCHHNEG-ZJUUUORDSA-N -1 1 302.338 0.949 20 0 DCADMM C[C@@H]1CCC[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)O1 ZINC001590244270 1166827790 /nfs/dbraw/zinc/82/77/90/1166827790.db2.gz RZNRAXFKCHHNEG-ZJUUUORDSA-N -1 1 302.338 0.949 20 0 DCADMM C[C@H]1CCC[N@H+](Cc2ccncc2-c2nn[n-]n2)[C@H]1C(=O)[O-] ZINC001590260203 1166829568 /nfs/dbraw/zinc/82/95/68/1166829568.db2.gz FMYDZKHCAXBGHI-JOYOIKCWSA-N -1 1 302.338 0.947 20 0 DCADMM C[C@H]1CCC[N@@H+](Cc2ccncc2-c2nn[n-]n2)[C@H]1C(=O)[O-] ZINC001590260203 1166829570 /nfs/dbraw/zinc/82/95/70/1166829570.db2.gz FMYDZKHCAXBGHI-JOYOIKCWSA-N -1 1 302.338 0.947 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@H](C)[C@H]1O ZINC001590299662 1166849461 /nfs/dbraw/zinc/84/94/61/1166849461.db2.gz KOJSGFWHNCLCKN-GDGBQDQQSA-N -1 1 302.338 0.351 20 0 DCADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@H](C)[C@H]1O ZINC001590299662 1166849469 /nfs/dbraw/zinc/84/94/69/1166849469.db2.gz KOJSGFWHNCLCKN-GDGBQDQQSA-N -1 1 302.338 0.351 20 0 DCADMM C[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)CC[S@](=O)C1 ZINC001590309204 1166854045 /nfs/dbraw/zinc/85/40/45/1166854045.db2.gz WRJLIRHPAASQOI-UZJPJQLHSA-N -1 1 306.395 0.462 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1ccc(-c3nnn[n-]3)nn1)C[C@@H](C)O2 ZINC001590312883 1166858211 /nfs/dbraw/zinc/85/82/11/1166858211.db2.gz RROJGSZEJFGRPO-ISTVAULSSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@@H]1OCC[C@@]12CN(c1ccc(-c3nn[n-]n3)nn1)C[C@@H](C)O2 ZINC001590312883 1166858217 /nfs/dbraw/zinc/85/82/17/1166858217.db2.gz RROJGSZEJFGRPO-ISTVAULSSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@H]1CO[C@@H](CO)CN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590323037 1166865751 /nfs/dbraw/zinc/86/57/51/1166865751.db2.gz JHQWZIKSQZQIQQ-DTWKUNHWSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@H]1CO[C@@H](CO)CN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590323037 1166865757 /nfs/dbraw/zinc/86/57/57/1166865757.db2.gz JHQWZIKSQZQIQQ-DTWKUNHWSA-N -1 1 321.312 0.228 20 0 DCADMM C[C@@H]1COC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590325563 1166869336 /nfs/dbraw/zinc/86/93/36/1166869336.db2.gz QTZCELNJGHVUJS-APPZFPTMSA-N -1 1 308.367 0.762 20 0 DCADMM C[C@@H]1OCC[C@@]1(C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590335090 1166872766 /nfs/dbraw/zinc/87/27/66/1166872766.db2.gz UCBXUTOLKRTBDR-JVXZTZIISA-N -1 1 306.330 0.289 20 0 DCADMM C[C@@H]1OCC[C@@]1(C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590335090 1166872769 /nfs/dbraw/zinc/87/27/69/1166872769.db2.gz UCBXUTOLKRTBDR-JVXZTZIISA-N -1 1 306.330 0.289 20 0 DCADMM C/C=C(/C)C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001590344749 1166877065 /nfs/dbraw/zinc/87/70/65/1166877065.db2.gz FEYQBXSIIIDUJI-BABIGQSTSA-N -1 1 316.369 0.787 20 0 DCADMM C/C=C(/C)C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001590344749 1166877069 /nfs/dbraw/zinc/87/70/69/1166877069.db2.gz FEYQBXSIIIDUJI-BABIGQSTSA-N -1 1 316.369 0.787 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590347294 1166879422 /nfs/dbraw/zinc/87/94/22/1166879422.db2.gz OPRVCWXHEDWVPU-BNFOFFDWSA-N -1 1 314.353 0.318 20 0 DCADMM C/C=C(/C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590347294 1166879426 /nfs/dbraw/zinc/87/94/26/1166879426.db2.gz OPRVCWXHEDWVPU-BNFOFFDWSA-N -1 1 314.353 0.318 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001590361203 1166884389 /nfs/dbraw/zinc/88/43/89/1166884389.db2.gz ZIGYGRMIWQMETA-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001590361203 1166884394 /nfs/dbraw/zinc/88/43/94/1166884394.db2.gz ZIGYGRMIWQMETA-NXEZZACHSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001590365077 1166889080 /nfs/dbraw/zinc/88/90/80/1166889080.db2.gz KPQMHKCMFHUWON-MIMYLULJSA-N -1 1 314.353 0.293 20 0 DCADMM CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001590365077 1166889087 /nfs/dbraw/zinc/88/90/87/1166889087.db2.gz KPQMHKCMFHUWON-MIMYLULJSA-N -1 1 314.353 0.293 20 0 DCADMM CCC(CC)C(=O)NCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001590430179 1166905783 /nfs/dbraw/zinc/90/57/83/1166905783.db2.gz IMPSXAWDJHOBJY-UHFFFAOYSA-N -1 1 304.358 0.043 20 0 DCADMM CC[C@@H](CNC(=O)C(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590438066 1166906476 /nfs/dbraw/zinc/90/64/76/1166906476.db2.gz VJLBFBSBQZGUNB-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](CNC(=O)C(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590438066 1166906482 /nfs/dbraw/zinc/90/64/82/1166906482.db2.gz VJLBFBSBQZGUNB-VIFPVBQESA-N -1 1 304.358 0.619 20 0 DCADMM CC[C@@H](CNC(=O)C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001590439096 1166906746 /nfs/dbraw/zinc/90/67/46/1166906746.db2.gz DPHIDDUJVDGEIT-VIFPVBQESA-N -1 1 302.342 0.373 20 0 DCADMM CC[C@@H](CNC(=O)C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001590439096 1166906748 /nfs/dbraw/zinc/90/67/48/1166906748.db2.gz DPHIDDUJVDGEIT-VIFPVBQESA-N -1 1 302.342 0.373 20 0 DCADMM CCC1(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CCC1 ZINC001590492310 1166922702 /nfs/dbraw/zinc/92/27/02/1166922702.db2.gz LSXCDFGZBJSASC-VIFPVBQESA-N -1 1 304.358 0.716 20 0 DCADMM CC[C@H]1C[C@H](C)CN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590502869 1166928597 /nfs/dbraw/zinc/92/85/97/1166928597.db2.gz FHRQGRLASSTYCH-UWVGGRQHSA-N -1 1 319.373 0.288 20 0 DCADMM CC[C@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001590517856 1166931718 /nfs/dbraw/zinc/93/17/18/1166931718.db2.gz USJIRVGODUFYCI-LBPRGKRZSA-N -1 1 316.365 0.832 20 0 DCADMM CC[C@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001590517856 1166931723 /nfs/dbraw/zinc/93/17/23/1166931723.db2.gz USJIRVGODUFYCI-LBPRGKRZSA-N -1 1 316.365 0.832 20 0 DCADMM CCCC(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590537930 1166939350 /nfs/dbraw/zinc/93/93/50/1166939350.db2.gz FVFHCWGKYOVRLO-UHFFFAOYSA-N -1 1 304.358 0.318 20 0 DCADMM CCCC(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590537930 1166939359 /nfs/dbraw/zinc/93/93/59/1166939359.db2.gz FVFHCWGKYOVRLO-UHFFFAOYSA-N -1 1 304.358 0.318 20 0 DCADMM CCCC(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590538040 1166940034 /nfs/dbraw/zinc/94/00/34/1166940034.db2.gz QPVFPRRYLKMXNK-ARJAWSKDSA-N -1 1 302.342 0.541 20 0 DCADMM CCCC(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590538040 1166940035 /nfs/dbraw/zinc/94/00/35/1166940035.db2.gz QPVFPRRYLKMXNK-ARJAWSKDSA-N -1 1 302.342 0.541 20 0 DCADMM CCC[C@H](O)[C@@H](CO)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590558456 1166942619 /nfs/dbraw/zinc/94/26/19/1166942619.db2.gz BLVMDNSJJMPVMK-BDAKNGLRSA-N -1 1 311.367 0.180 20 0 DCADMM CCC[C@H](CC)Sc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590554582 1166943047 /nfs/dbraw/zinc/94/30/47/1166943047.db2.gz FSLHKFSNKLLXPR-QMMMGPOBSA-N -1 1 324.410 0.935 20 0 DCADMM CCCCc1cc(NCCn2cnc(-c3nn[n-]n3)n2)ncn1 ZINC001590613332 1166949878 /nfs/dbraw/zinc/94/98/78/1166949878.db2.gz ZOHXIWFNCHIMGX-UHFFFAOYSA-N -1 1 314.357 0.703 20 0 DCADMM CCCn1nccc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590665118 1166963609 /nfs/dbraw/zinc/96/36/09/1166963609.db2.gz LKLSXDXXIQWIRN-UHFFFAOYSA-N -1 1 312.337 0.798 20 0 DCADMM CCCn1nccc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590665118 1166963615 /nfs/dbraw/zinc/96/36/15/1166963615.db2.gz LKLSXDXXIQWIRN-UHFFFAOYSA-N -1 1 312.337 0.798 20 0 DCADMM CCN(CC)C(=O)CCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590681541 1166970505 /nfs/dbraw/zinc/97/05/05/1166970505.db2.gz PMALVQBVOFHGCU-UHFFFAOYSA-N -1 1 306.330 0.177 20 0 DCADMM CCN(CC)C(=O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590681735 1166970722 /nfs/dbraw/zinc/97/07/22/1166970722.db2.gz YMTBELTUGBHRFA-UHFFFAOYSA-N -1 1 306.326 0.400 20 0 DCADMM CCN(CC)C(=O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590681735 1166970732 /nfs/dbraw/zinc/97/07/32/1166970732.db2.gz YMTBELTUGBHRFA-UHFFFAOYSA-N -1 1 306.326 0.400 20 0 DCADMM CCN(CCCO)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590702074 1166976300 /nfs/dbraw/zinc/97/63/00/1166976300.db2.gz YJQJMSAZHLGJQA-UHFFFAOYSA-N -1 1 311.371 0.237 20 0 DCADMM CCN(CCCO)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590702074 1166976304 /nfs/dbraw/zinc/97/63/04/1166976304.db2.gz YJQJMSAZHLGJQA-UHFFFAOYSA-N -1 1 311.371 0.237 20 0 DCADMM CCN(CCO)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590714564 1166981589 /nfs/dbraw/zinc/98/15/89/1166981589.db2.gz LYGJYNHULGYZST-UHFFFAOYSA-N -1 1 315.330 0.009 20 0 DCADMM CCN1C[C@H](CNc2cc(C)nc(-c3nnn[n-]3)c2)CC1=O ZINC001590729684 1166985331 /nfs/dbraw/zinc/98/53/31/1166985331.db2.gz LOANNZWLNZQFOQ-JTQLQIEISA-N -1 1 301.354 0.850 20 0 DCADMM CCN1C[C@H](CNc2cc(C)nc(-c3nn[n-]n3)c2)CC1=O ZINC001590729684 1166985337 /nfs/dbraw/zinc/98/53/37/1166985337.db2.gz LOANNZWLNZQFOQ-JTQLQIEISA-N -1 1 301.354 0.850 20 0 DCADMM CCN1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC001590733683 1166992923 /nfs/dbraw/zinc/99/29/23/1166992923.db2.gz SBFBTFXERZMPGK-NSHDSACASA-N -1 1 315.337 0.002 20 0 DCADMM CCN1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC001590733683 1166992926 /nfs/dbraw/zinc/99/29/26/1166992926.db2.gz SBFBTFXERZMPGK-NSHDSACASA-N -1 1 315.337 0.002 20 0 DCADMM CCNC(=O)C1(CNc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001590738028 1166997178 /nfs/dbraw/zinc/99/71/78/1166997178.db2.gz PPJMHECGHQUYIE-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CCNC(=O)C1(CNc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001590738028 1166997188 /nfs/dbraw/zinc/99/71/88/1166997188.db2.gz PPJMHECGHQUYIE-UHFFFAOYSA-N -1 1 302.342 0.375 20 0 DCADMM CCOC(=O)C(C)(C)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001590749472 1167002286 /nfs/dbraw/zinc/00/22/86/1167002286.db2.gz ADUUJYXWBLNWJV-UHFFFAOYSA-N -1 1 319.321 0.187 20 0 DCADMM CCOC(=O)[C@](C)(O)CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001590751604 1167005899 /nfs/dbraw/zinc/00/58/99/1167005899.db2.gz RIYKAUDKMTVJRN-CYBMUJFWSA-N -1 1 306.326 0.296 20 0 DCADMM CCOC(=O)[C@](C)(O)CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001590751604 1167005905 /nfs/dbraw/zinc/00/59/05/1167005905.db2.gz RIYKAUDKMTVJRN-CYBMUJFWSA-N -1 1 306.326 0.296 20 0 DCADMM CCOC(=O)[C@@]1(C)CN(c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590755578 1167007712 /nfs/dbraw/zinc/00/77/12/1167007712.db2.gz 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/nfs/dbraw/zinc/01/67/94/1167016794.db2.gz DZRBFFUJSNDIHG-SECBINFHSA-N -1 1 306.326 0.809 20 0 DCADMM CCOC(=O)c1cnn(Cc2cnc(C)nc2)c1-c1nn[n-]n1 ZINC001590775272 1167017383 /nfs/dbraw/zinc/01/73/83/1167017383.db2.gz DINJABIKWIWEMF-UHFFFAOYSA-N -1 1 314.309 0.387 20 0 DCADMM CCOC(=O)c1cnn(CC2(C(=O)OC)CC2)c1-c1nn[n-]n1 ZINC001590776918 1167018051 /nfs/dbraw/zinc/01/80/51/1167018051.db2.gz ZZNQQZGGOPTNDB-UHFFFAOYSA-N -1 1 320.309 0.193 20 0 DCADMM CCON(CC)C(=O)CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001590817713 1167031524 /nfs/dbraw/zinc/03/15/24/1167031524.db2.gz FKMXALRLGCARFB-UHFFFAOYSA-N -1 1 305.342 0.782 20 0 DCADMM CCON(CC)C(=O)CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001590817713 1167031528 /nfs/dbraw/zinc/03/15/28/1167031528.db2.gz FKMXALRLGCARFB-UHFFFAOYSA-N -1 1 305.342 0.782 20 0 DCADMM CCOCc1nnc(NCc2cccc(-c3nn[n-]n3)n2)o1 ZINC001590819397 1167032184 /nfs/dbraw/zinc/03/21/84/1167032184.db2.gz XLMPPBADYHUYQQ-UHFFFAOYSA-N -1 1 302.298 0.793 20 0 DCADMM CCc1c(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cnn1C ZINC001590871964 1167042709 /nfs/dbraw/zinc/04/27/09/1167042709.db2.gz BZALJLFCPZOPNH-UHFFFAOYSA-N -1 1 301.314 0.446 20 0 DCADMM CCc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1O ZINC001590895062 1167043467 /nfs/dbraw/zinc/04/34/67/1167043467.db2.gz XJXJIHXPXAHLJY-UHFFFAOYSA-N -1 1 314.309 0.365 20 0 DCADMM CCc1nc(-c2nnn[n-]2)cc(N(CC)CCOCCO)n1 ZINC001590905262 1167045362 /nfs/dbraw/zinc/04/53/62/1167045362.db2.gz YUSCJGCHURYTRE-UHFFFAOYSA-N -1 1 307.358 0.054 20 0 DCADMM CCc1nc(-c2nn[n-]n2)cc(N(CC)CCOCCO)n1 ZINC001590905262 1167045378 /nfs/dbraw/zinc/04/53/78/1167045378.db2.gz YUSCJGCHURYTRE-UHFFFAOYSA-N -1 1 307.358 0.054 20 0 DCADMM CCc1nc(NC[C@H](C)c2nncn2C)cc(-c2nnn[n-]2)n1 ZINC001590917324 1167051748 /nfs/dbraw/zinc/05/17/48/1167051748.db2.gz MRFGJVWGSPOFBM-QMMMGPOBSA-N -1 1 314.357 0.563 20 0 DCADMM CCc1nc(NC[C@H](C)c2nncn2C)cc(-c2nn[n-]n2)n1 ZINC001590917324 1167051753 /nfs/dbraw/zinc/05/17/53/1167051753.db2.gz MRFGJVWGSPOFBM-QMMMGPOBSA-N -1 1 314.357 0.563 20 0 DCADMM CCc1nn(C)cc1NCc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC001590929378 1167053985 /nfs/dbraw/zinc/05/39/85/1167053985.db2.gz MJPNGXUPLXCGID-UHFFFAOYSA-N -1 1 324.352 0.817 20 0 DCADMM CCc1nn(C)cc1NCc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC001590929378 1167053990 /nfs/dbraw/zinc/05/39/90/1167053990.db2.gz MJPNGXUPLXCGID-UHFFFAOYSA-N -1 1 324.352 0.817 20 0 DCADMM CCc1oc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1C ZINC001590936875 1167056770 /nfs/dbraw/zinc/05/67/70/1167056770.db2.gz HYSMSWZHXVOFSL-UHFFFAOYSA-N -1 1 316.325 0.352 20 0 DCADMM CCn1nc(C)c(CNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC001590965647 1167060803 /nfs/dbraw/zinc/06/08/03/1167060803.db2.gz ROZKONDEMFJVJX-UHFFFAOYSA-N -1 1 318.366 0.778 20 0 DCADMM CCn1nc(C)c(CNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC001590965647 1167060810 /nfs/dbraw/zinc/06/08/10/1167060810.db2.gz ROZKONDEMFJVJX-UHFFFAOYSA-N -1 1 318.366 0.778 20 0 DCADMM CCn1ncnc1Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001590971023 1167063113 /nfs/dbraw/zinc/06/31/13/1167063113.db2.gz JMGDRSSLBWLVEA-UHFFFAOYSA-N -1 1 322.332 0.841 20 0 DCADMM CN(C(=O)CNc1cc(-c2nnn[n-]2)ncn1)C1CCCCC1 ZINC001590983967 1167065681 /nfs/dbraw/zinc/06/56/81/1167065681.db2.gz YVJSCKKFETWJFK-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CN(C(=O)CNc1cc(-c2nn[n-]n2)ncn1)C1CCCCC1 ZINC001590983967 1167065688 /nfs/dbraw/zinc/06/56/88/1167065688.db2.gz YVJSCKKFETWJFK-UHFFFAOYSA-N -1 1 316.369 0.860 20 0 DCADMM CN(C(=O)COCC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001590982801 1167067151 /nfs/dbraw/zinc/06/71/51/1167067151.db2.gz MTFCIATYLFOEMQ-UHFFFAOYSA-N -1 1 316.243 0.803 20 0 DCADMM CN(C(=O)COCC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001590982801 1167067154 /nfs/dbraw/zinc/06/71/54/1167067154.db2.gz MTFCIATYLFOEMQ-UHFFFAOYSA-N -1 1 316.243 0.803 20 0 DCADMM CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)[C@H]1CC[C@H](O)CC1 ZINC001590995451 1167069524 /nfs/dbraw/zinc/06/95/24/1167069524.db2.gz AUJCPIYSIQQRBF-XYPYZODXSA-N -1 1 302.338 0.637 20 0 DCADMM CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)[C@H]1CC[C@H](O)CC1 ZINC001590995451 1167069529 /nfs/dbraw/zinc/06/95/29/1167069529.db2.gz AUJCPIYSIQQRBF-XYPYZODXSA-N -1 1 302.338 0.637 20 0 DCADMM CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001591002669 1167070656 /nfs/dbraw/zinc/07/06/56/1167070656.db2.gz QTNUEZBAMLFTHL-NXEZZACHSA-N -1 1 316.369 0.138 20 0 DCADMM CN(C)[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001591006556 1167074060 /nfs/dbraw/zinc/07/40/60/1167074060.db2.gz TVKBHVACYMGEDS-QMMMGPOBSA-N -1 1 316.291 0.951 20 0 DCADMM CN(C)[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001591006556 1167074067 /nfs/dbraw/zinc/07/40/67/1167074067.db2.gz TVKBHVACYMGEDS-QMMMGPOBSA-N -1 1 316.291 0.951 20 0 DCADMM CN(C[C@]1(O)CCc2ccccc21)c1nccnc1-c1nnn[n-]1 ZINC001591049692 1167094772 /nfs/dbraw/zinc/09/47/72/1167094772.db2.gz APTIXSBFHRPCHR-MRXNPFEDSA-N -1 1 323.360 0.927 20 0 DCADMM CN(C[C@]1(O)CCc2ccccc21)c1nccnc1-c1nn[n-]n1 ZINC001591049692 1167094776 /nfs/dbraw/zinc/09/47/76/1167094776.db2.gz APTIXSBFHRPCHR-MRXNPFEDSA-N -1 1 323.360 0.927 20 0 DCADMM CN(CCCF)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591066552 1167100538 /nfs/dbraw/zinc/10/05/38/1167100538.db2.gz IIARAEVAIUAFLS-UHFFFAOYSA-N -1 1 307.289 0.018 20 0 DCADMM CN(CCCF)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591066552 1167100541 /nfs/dbraw/zinc/10/05/41/1167100541.db2.gz IIARAEVAIUAFLS-UHFFFAOYSA-N -1 1 307.289 0.018 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cc(F)ncn1 ZINC001591090778 1167103026 /nfs/dbraw/zinc/10/30/26/1167103026.db2.gz VMMBYVGBMMFNJU-UHFFFAOYSA-N -1 1 318.320 0.170 20 0 DCADMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)CC1CC1 ZINC001591107781 1167105534 /nfs/dbraw/zinc/10/55/34/1167105534.db2.gz AJPHRUVKFOGMFT-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)CC1CC1 ZINC001591107781 1167105536 /nfs/dbraw/zinc/10/55/36/1167105536.db2.gz AJPHRUVKFOGMFT-UHFFFAOYSA-N -1 1 302.342 0.327 20 0 DCADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H](CO)Cc1ccccc1 ZINC001591159238 1167121688 /nfs/dbraw/zinc/12/16/88/1167121688.db2.gz VDFXGJZQDBLVKK-LBPRGKRZSA-N -1 1 311.349 0.697 20 0 DCADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H](CO)Cc1ccccc1 ZINC001591159238 1167121691 /nfs/dbraw/zinc/12/16/91/1167121691.db2.gz VDFXGJZQDBLVKK-LBPRGKRZSA-N -1 1 311.349 0.697 20 0 DCADMM CN1CC[C@](C)(COC(=O)c2coc(-c3nnn[n-]3)c2)C1=O ZINC001591178808 1167128889 /nfs/dbraw/zinc/12/88/89/1167128889.db2.gz SDOFKDVFTJOWDN-CYBMUJFWSA-N -1 1 305.294 0.485 20 0 DCADMM CN1CC[C@](C)(COC(=O)c2coc(-c3nn[n-]n3)c2)C1=O ZINC001591178808 1167128892 /nfs/dbraw/zinc/12/88/92/1167128892.db2.gz SDOFKDVFTJOWDN-CYBMUJFWSA-N -1 1 305.294 0.485 20 0 DCADMM CN1CC[C@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)CC1=O ZINC001591180279 1167132142 /nfs/dbraw/zinc/13/21/42/1167132142.db2.gz IMDVEYYUCXASNW-QMMMGPOBSA-N -1 1 318.312 0.356 20 0 DCADMM CN1CC[C@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)CC1=O ZINC001591180279 1167132147 /nfs/dbraw/zinc/13/21/47/1167132147.db2.gz IMDVEYYUCXASNW-QMMMGPOBSA-N -1 1 318.312 0.356 20 0 DCADMM CNC(=O)CC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001591205438 1167154888 /nfs/dbraw/zinc/15/48/88/1167154888.db2.gz ZJDNTODKGDVQHA-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CNC(=O)CC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001591205438 1167154892 /nfs/dbraw/zinc/15/48/92/1167154892.db2.gz ZJDNTODKGDVQHA-UHFFFAOYSA-N -1 1 302.342 0.009 20 0 DCADMM CNC(=O)c1cccc(OC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001591214844 1167159958 /nfs/dbraw/zinc/15/99/58/1167159958.db2.gz GHUFFLFVWDIDKF-UHFFFAOYSA-N -1 1 324.300 0.841 20 0 DCADMM CNC(=O)c1cccc(OC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001591214844 1167159962 /nfs/dbraw/zinc/15/99/62/1167159962.db2.gz GHUFFLFVWDIDKF-UHFFFAOYSA-N -1 1 324.300 0.841 20 0 DCADMM CNC(=O)c1cccc(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001591215552 1167162182 /nfs/dbraw/zinc/16/21/82/1167162182.db2.gz XUTPYWDLCDLWRB-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COC(=O)/C(C)=C/COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591228186 1167167085 /nfs/dbraw/zinc/16/70/85/1167167085.db2.gz HXFPXIXRUBYUDT-XBXARRHUSA-N -1 1 303.278 0.538 20 0 DCADMM COC(=O)/C(C)=C/COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591228186 1167167091 /nfs/dbraw/zinc/16/70/91/1167167091.db2.gz HXFPXIXRUBYUDT-XBXARRHUSA-N -1 1 303.278 0.538 20 0 DCADMM COC(=O)[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)C(C)C ZINC001591235127 1167170206 /nfs/dbraw/zinc/17/02/06/1167170206.db2.gz OKDZJZKOAOYTFK-SNVBAGLBSA-N -1 1 307.310 0.696 20 0 DCADMM COC(=O)[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)C(C)C ZINC001591235127 1167170209 /nfs/dbraw/zinc/17/02/09/1167170209.db2.gz OKDZJZKOAOYTFK-SNVBAGLBSA-N -1 1 307.310 0.696 20 0 DCADMM COC(=O)C1=C(C)O[C@H](COc2cccnc2-c2nnn[n-]2)C1 ZINC001591247745 1167176139 /nfs/dbraw/zinc/17/61/39/1167176139.db2.gz UWLVHGZGTBXTDN-VIFPVBQESA-N -1 1 317.305 0.876 20 0 DCADMM COC(=O)C1=C(C)O[C@H](COc2cccnc2-c2nn[n-]n2)C1 ZINC001591247745 1167176143 /nfs/dbraw/zinc/17/61/43/1167176143.db2.gz UWLVHGZGTBXTDN-VIFPVBQESA-N -1 1 317.305 0.876 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1cc(-c2nnn[n-]2)ncn1 ZINC001591249914 1167176836 /nfs/dbraw/zinc/17/68/36/1167176836.db2.gz IVJBPOCEIZGFIQ-AUTRQRHGSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1cc(-c2nn[n-]n2)ncn1 ZINC001591249914 1167176839 /nfs/dbraw/zinc/17/68/39/1167176839.db2.gz IVJBPOCEIZGFIQ-AUTRQRHGSA-N -1 1 315.337 0.435 20 0 DCADMM COC(=O)CCCCC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591263054 1167186995 /nfs/dbraw/zinc/18/69/95/1167186995.db2.gz PCSMTYYODWBPSC-UHFFFAOYSA-N -1 1 324.366 0.673 20 0 DCADMM COC(=O)CCCCC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591263054 1167186996 /nfs/dbraw/zinc/18/69/96/1167186996.db2.gz PCSMTYYODWBPSC-UHFFFAOYSA-N -1 1 324.366 0.673 20 0 DCADMM COC(=O)N(C)CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591271435 1167192176 /nfs/dbraw/zinc/19/21/76/1167192176.db2.gz QJEZXJPTTNMCQB-UHFFFAOYSA-N -1 1 306.330 0.100 20 0 DCADMM COC(=O)N(C)CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591271435 1167192179 /nfs/dbraw/zinc/19/21/79/1167192179.db2.gz QJEZXJPTTNMCQB-UHFFFAOYSA-N -1 1 306.330 0.100 20 0 DCADMM COC(=O)NC1CCN(c2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC001591273615 1167193355 /nfs/dbraw/zinc/19/33/55/1167193355.db2.gz WCEWEBLKCFISSP-UHFFFAOYSA-N -1 1 317.353 0.895 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC[C@H](O)C(C)C)c1 ZINC001591286597 1167201693 /nfs/dbraw/zinc/20/16/93/1167201693.db2.gz LCNYJUSZIBFIDV-NSHDSACASA-N -1 1 321.337 0.222 20 0 DCADMM COC(=O)c1ccc(NCCOCCF)c(-c2nnn[n-]2)n1 ZINC001591295928 1167202293 /nfs/dbraw/zinc/20/22/93/1167202293.db2.gz IWZWRTABQUGEAT-UHFFFAOYSA-N -1 1 310.289 0.446 20 0 DCADMM COC(=O)c1ccc(NCCOCCF)c(-c2nn[n-]n2)n1 ZINC001591295928 1167202300 /nfs/dbraw/zinc/20/23/00/1167202300.db2.gz IWZWRTABQUGEAT-UHFFFAOYSA-N -1 1 310.289 0.446 20 0 DCADMM COC(=O)c1ccc(CNc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001591292773 1167203904 /nfs/dbraw/zinc/20/39/04/1167203904.db2.gz WOXBKKUAIRNWLS-UHFFFAOYSA-N -1 1 300.278 0.675 20 0 DCADMM COC(=O)c1ccc(CNc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001591292773 1167203911 /nfs/dbraw/zinc/20/39/11/1167203911.db2.gz WOXBKKUAIRNWLS-UHFFFAOYSA-N -1 1 300.278 0.675 20 0 DCADMM COC(=O)c1occc1Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001591308795 1167206676 /nfs/dbraw/zinc/20/66/76/1167206676.db2.gz ZNTWTBAGATXAMF-UHFFFAOYSA-N -1 1 301.262 0.456 20 0 DCADMM CO[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCOC1 ZINC001591310018 1167209082 /nfs/dbraw/zinc/20/90/82/1167209082.db2.gz GNMPGSYIJLEKPG-JOYOIKCWSA-N -1 1 318.337 0.276 20 0 DCADMM CO[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCOC1 ZINC001591310018 1167209089 /nfs/dbraw/zinc/20/90/89/1167209089.db2.gz GNMPGSYIJLEKPG-JOYOIKCWSA-N -1 1 318.337 0.276 20 0 DCADMM CO[C@H](C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1)C1CCC1 ZINC001591316366 1167209822 /nfs/dbraw/zinc/20/98/22/1167209822.db2.gz MIYSVDKOSMTWPT-JTQLQIEISA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@H](C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1)C1CCC1 ZINC001591316366 1167209829 /nfs/dbraw/zinc/20/98/29/1167209829.db2.gz MIYSVDKOSMTWPT-JTQLQIEISA-N -1 1 305.342 0.662 20 0 DCADMM CO[C@](C)(CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CC1 ZINC001591316753 1167210311 /nfs/dbraw/zinc/21/03/11/1167210311.db2.gz AVOHDSDIGZYWMM-CYBMUJFWSA-N -1 1 320.357 0.537 20 0 DCADMM CO[C@](C)(CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CC1 ZINC001591316753 1167210318 /nfs/dbraw/zinc/21/03/18/1167210318.db2.gz AVOHDSDIGZYWMM-CYBMUJFWSA-N -1 1 320.357 0.537 20 0 DCADMM COC1([C@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001591337940 1167222323 /nfs/dbraw/zinc/22/23/23/1167222323.db2.gz KJWSUUJJPDYCME-VIFPVBQESA-N -1 1 302.338 0.949 20 0 DCADMM COC1([C@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001591337940 1167222329 /nfs/dbraw/zinc/22/23/29/1167222329.db2.gz KJWSUUJJPDYCME-VIFPVBQESA-N -1 1 302.338 0.949 20 0 DCADMM CO[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001591360116 1167232882 /nfs/dbraw/zinc/23/28/82/1167232882.db2.gz HSDZOLUCWJLSSG-CABZTGNLSA-N -1 1 302.338 0.759 20 0 DCADMM CO[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001591360116 1167232886 /nfs/dbraw/zinc/23/28/86/1167232886.db2.gz HSDZOLUCWJLSSG-CABZTGNLSA-N -1 1 302.338 0.759 20 0 DCADMM COC[C@H](C)NC(=S)NN=c1ccc(-c2nn[n-]n2)c[nH]1 ZINC001591374789 1167245731 /nfs/dbraw/zinc/24/57/31/1167245731.db2.gz JDNKTJLLOWQPJM-ZETCQYMHSA-N -1 1 308.371 0.088 20 0 DCADMM COC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001591381332 1167250957 /nfs/dbraw/zinc/25/09/57/1167250957.db2.gz PZDHBJOCGLLUTE-SNVBAGLBSA-N -1 1 303.326 0.808 20 0 DCADMM COC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001591381332 1167250963 /nfs/dbraw/zinc/25/09/63/1167250963.db2.gz PZDHBJOCGLLUTE-SNVBAGLBSA-N -1 1 303.326 0.808 20 0 DCADMM COCC1(C2CCC2)CN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001591386015 1167255320 /nfs/dbraw/zinc/25/53/20/1167255320.db2.gz WBKZFNRCPVLFNF-UHFFFAOYSA-N -1 1 301.354 0.910 20 0 DCADMM COCC1(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CC1 ZINC001591388678 1167257057 /nfs/dbraw/zinc/25/70/57/1167257057.db2.gz HVIHLZFJRRWMAI-UHFFFAOYSA-N -1 1 304.310 0.185 20 0 DCADMM COCCC1(C)CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC001591400777 1167269896 /nfs/dbraw/zinc/26/98/96/1167269896.db2.gz TXUMTGNOLKRALY-UHFFFAOYSA-N -1 1 320.357 0.491 20 0 DCADMM COCCC1(C)CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC001591400777 1167269901 /nfs/dbraw/zinc/26/99/01/1167269901.db2.gz TXUMTGNOLKRALY-UHFFFAOYSA-N -1 1 320.357 0.491 20 0 DCADMM COCCCOCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001591416824 1167275698 /nfs/dbraw/zinc/27/56/98/1167275698.db2.gz CXNCXZFPRVEPAU-UHFFFAOYSA-N -1 1 321.337 0.748 20 0 DCADMM COCCCOCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001591416824 1167275701 /nfs/dbraw/zinc/27/57/01/1167275701.db2.gz CXNCXZFPRVEPAU-UHFFFAOYSA-N -1 1 321.337 0.748 20 0 DCADMM COCCN(C(=O)c1coc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001591421189 1167278991 /nfs/dbraw/zinc/27/89/91/1167278991.db2.gz UFVXVMUHYPKRBJ-UHFFFAOYSA-N -1 1 321.337 0.727 20 0 DCADMM COCCN(C(=O)c1coc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001591421189 1167278998 /nfs/dbraw/zinc/27/89/98/1167278998.db2.gz UFVXVMUHYPKRBJ-UHFFFAOYSA-N -1 1 321.337 0.727 20 0 DCADMM COCCO[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001591433898 1167286948 /nfs/dbraw/zinc/28/69/48/1167286948.db2.gz LTXCSFDGSVQCLW-SECBINFHSA-N -1 1 310.383 0.873 20 0 DCADMM COCc1nc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)cs1 ZINC001591459908 1167294156 /nfs/dbraw/zinc/29/41/56/1167294156.db2.gz NYCPLBJJFPDWCD-UHFFFAOYSA-N -1 1 320.334 0.993 20 0 DCADMM COCc1nc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)cs1 ZINC001591459908 1167294161 /nfs/dbraw/zinc/29/41/61/1167294161.db2.gz NYCPLBJJFPDWCD-UHFFFAOYSA-N -1 1 320.334 0.993 20 0 DCADMM CO[C@@H]1COC[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591472479 1167303331 /nfs/dbraw/zinc/30/33/31/1167303331.db2.gz ZGULCSSTFKJBBK-RFZPGFLSSA-N -1 1 302.747 0.802 20 0 DCADMM COc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cnn1C ZINC001591475894 1167305779 /nfs/dbraw/zinc/30/57/79/1167305779.db2.gz DGQCOOSOJBHMQK-UHFFFAOYSA-N -1 1 315.293 0.567 20 0 DCADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1cnc(C)s1 ZINC001591475163 1167306246 /nfs/dbraw/zinc/30/62/46/1167306246.db2.gz SGTCFVPUEBIAJF-UHFFFAOYSA-N -1 1 304.335 0.850 20 0 DCADMM COc1ccnc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)c1 ZINC001591655197 1167340073 /nfs/dbraw/zinc/34/00/73/1167340073.db2.gz AQDIKPRRPVZGLQ-UHFFFAOYSA-N -1 1 300.282 0.554 20 0 DCADMM COc1ccccc1OCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001591652180 1167340556 /nfs/dbraw/zinc/34/05/56/1167340556.db2.gz DABMPLOSWHMTTP-UHFFFAOYSA-N -1 1 313.321 0.578 20 0 DCADMM COc1ncc(NC(=O)N2CC[C@@H](O)[C@H]2C)cc1-c1nn[n-]n1 ZINC001591666296 1167346903 /nfs/dbraw/zinc/34/69/03/1167346903.db2.gz MPMKQIZDAFGJND-GMSGAONNSA-N -1 1 319.325 0.257 20 0 DCADMM CS(=O)(=O)[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001591674225 1167349812 /nfs/dbraw/zinc/34/98/12/1167349812.db2.gz RUNZUBYKACBFEW-JTQLQIEISA-N -1 1 311.367 0.469 20 0 DCADMM CS(=O)(=O)[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001591674225 1167349819 /nfs/dbraw/zinc/34/98/19/1167349819.db2.gz RUNZUBYKACBFEW-JTQLQIEISA-N -1 1 311.367 0.469 20 0 DCADMM CS(=O)(=O)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591675360 1167351652 /nfs/dbraw/zinc/35/16/52/1167351652.db2.gz RAEYJWQBWKGSRZ-UHFFFAOYSA-N -1 1 308.776 0.433 20 0 DCADMM CSCCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591698808 1167358114 /nfs/dbraw/zinc/35/81/14/1167358114.db2.gz IQZCAOFKWLWQSV-UHFFFAOYSA-N -1 1 321.366 0.070 20 0 DCADMM CSCCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591698808 1167358118 /nfs/dbraw/zinc/35/81/18/1167358118.db2.gz IQZCAOFKWLWQSV-UHFFFAOYSA-N -1 1 321.366 0.070 20 0 DCADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C)CC1 ZINC001591725473 1167361114 /nfs/dbraw/zinc/36/11/14/1167361114.db2.gz JZYICPKATSUFQW-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C)CC1 ZINC001591725473 1167361118 /nfs/dbraw/zinc/36/11/18/1167361118.db2.gz JZYICPKATSUFQW-QMMMGPOBSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001591753130 1167366107 /nfs/dbraw/zinc/36/61/07/1167366107.db2.gz OVLLZVJZBALEPK-RKDXNWHRSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)NCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001591753130 1167366114 /nfs/dbraw/zinc/36/61/14/1167366114.db2.gz OVLLZVJZBALEPK-RKDXNWHRSA-N -1 1 302.342 0.231 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001591753333 1167366430 /nfs/dbraw/zinc/36/64/30/1167366430.db2.gz RVDQZBXYMYYGLL-HTQZYQBOSA-N -1 1 318.341 0.021 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001591753333 1167366436 /nfs/dbraw/zinc/36/64/36/1167366436.db2.gz RVDQZBXYMYYGLL-HTQZYQBOSA-N -1 1 318.341 0.021 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001591757868 1167368909 /nfs/dbraw/zinc/36/89/09/1167368909.db2.gz XKKJLYHIAWNWRK-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@@H]1C[C@H]1C(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001591757868 1167368914 /nfs/dbraw/zinc/36/89/14/1167368914.db2.gz XKKJLYHIAWNWRK-NXEZZACHSA-N -1 1 316.369 0.573 20 0 DCADMM C[C@H]1CN(Cc2cnc3c(-c4nnn[n-]4)cnn3c2)CCO1 ZINC001591773105 1167371769 /nfs/dbraw/zinc/37/17/69/1167371769.db2.gz CCJUCAGJAMLEHB-VIFPVBQESA-N -1 1 300.326 0.130 20 0 DCADMM C[C@H]1CN(Cc2cnc3c(-c4nn[n-]n4)cnn3c2)CCO1 ZINC001591773105 1167371773 /nfs/dbraw/zinc/37/17/73/1167371773.db2.gz CCJUCAGJAMLEHB-VIFPVBQESA-N -1 1 300.326 0.130 20 0 DCADMM Cc1ccnn1CC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001591796906 1167381412 /nfs/dbraw/zinc/38/14/12/1167381412.db2.gz DTLQCRKLQXASTR-UHFFFAOYSA-N -1 1 301.314 0.052 20 0 DCADMM Cc1ccnn1CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001591796906 1167381415 /nfs/dbraw/zinc/38/14/15/1167381415.db2.gz DTLQCRKLQXASTR-UHFFFAOYSA-N -1 1 301.314 0.052 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cnn(C3CC3)c2)nn1C ZINC001591796248 1167382051 /nfs/dbraw/zinc/38/20/51/1167382051.db2.gz BFJRDPLSHKOXSE-UHFFFAOYSA-N -1 1 313.325 0.692 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cnn(C3CC3)c2)nn1C ZINC001591796248 1167382055 /nfs/dbraw/zinc/38/20/55/1167382055.db2.gz BFJRDPLSHKOXSE-UHFFFAOYSA-N -1 1 313.325 0.692 20 0 DCADMM Cc1c(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)nnn1C ZINC001591828011 1167387227 /nfs/dbraw/zinc/38/72/27/1167387227.db2.gz QKGJROIKSMIAKY-UHFFFAOYSA-N -1 1 320.342 0.082 20 0 DCADMM Cc1c(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)nnn1C ZINC001591828011 1167387233 /nfs/dbraw/zinc/38/72/33/1167387233.db2.gz QKGJROIKSMIAKY-UHFFFAOYSA-N -1 1 320.342 0.082 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(CCO)C1CCC1 ZINC001591835112 1167391215 /nfs/dbraw/zinc/39/12/15/1167391215.db2.gz GHVGYJVJZUYXES-UHFFFAOYSA-N -1 1 318.337 0.263 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC001591883786 1167408497 /nfs/dbraw/zinc/40/84/97/1167408497.db2.gz GWKKBMSQCLNMTR-UWVGGRQHSA-N -1 1 301.354 0.660 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC001591883786 1167408499 /nfs/dbraw/zinc/40/84/99/1167408499.db2.gz GWKKBMSQCLNMTR-UWVGGRQHSA-N -1 1 301.354 0.660 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC001591883787 1167409330 /nfs/dbraw/zinc/40/93/30/1167409330.db2.gz GWKKBMSQCLNMTR-VHSXEESVSA-N -1 1 301.354 0.660 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC001591883787 1167409334 /nfs/dbraw/zinc/40/93/34/1167409334.db2.gz GWKKBMSQCLNMTR-VHSXEESVSA-N -1 1 301.354 0.660 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(CC(F)F)CC2)c1 ZINC001591888235 1167410925 /nfs/dbraw/zinc/41/09/25/1167410925.db2.gz VAGSLOADPLGZGD-UHFFFAOYSA-N -1 1 309.324 0.957 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(CC(F)F)CC2)c1 ZINC001591888235 1167410928 /nfs/dbraw/zinc/41/09/28/1167410928.db2.gz VAGSLOADPLGZGD-UHFFFAOYSA-N -1 1 309.324 0.957 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@H](C(F)(F)F)C2)n1 ZINC001591888364 1167410958 /nfs/dbraw/zinc/41/09/58/1167410958.db2.gz KJYVYAVFKXCZQC-MRVPVSSYSA-N -1 1 315.259 0.733 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@H](C(F)(F)F)C2)n1 ZINC001591888364 1167410960 /nfs/dbraw/zinc/41/09/60/1167410960.db2.gz KJYVYAVFKXCZQC-MRVPVSSYSA-N -1 1 315.259 0.733 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@]3(CCSC3)C2)n1 ZINC001591887588 1167411581 /nfs/dbraw/zinc/41/15/81/1167411581.db2.gz ARDMOHYDTHNIJI-ZDUSSCGKSA-N -1 1 319.394 0.677 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@]3(CCSC3)C2)n1 ZINC001591887588 1167411583 /nfs/dbraw/zinc/41/15/83/1167411583.db2.gz ARDMOHYDTHNIJI-ZDUSSCGKSA-N -1 1 319.394 0.677 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](C)[C@@H]2CCO)n1 ZINC001591889296 1167411633 /nfs/dbraw/zinc/41/16/33/1167411633.db2.gz PEMFYFCVMFYYFK-SKDRFNHKSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](C)[C@@H]2CCO)n1 ZINC001591889296 1167411635 /nfs/dbraw/zinc/41/16/35/1167411635.db2.gz PEMFYFCVMFYYFK-SKDRFNHKSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCC[C@]3(CO)C2)n1 ZINC001591890200 1167411742 /nfs/dbraw/zinc/41/17/42/1167411742.db2.gz PFQYHRHAPATOJB-IINYFYTJSA-N -1 1 301.354 0.564 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCC[C@]3(CO)C2)n1 ZINC001591890200 1167411745 /nfs/dbraw/zinc/41/17/45/1167411745.db2.gz PFQYHRHAPATOJB-IINYFYTJSA-N -1 1 301.354 0.564 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cnc(F)c(C)c2)c1-c1nn[n-]n1 ZINC001591932972 1167421476 /nfs/dbraw/zinc/42/14/76/1167421476.db2.gz QPRLSUJEFQEYKB-UHFFFAOYSA-N -1 1 302.273 0.993 20 0 DCADMM Cc1cc(N(C)C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)ccn1 ZINC001591995667 1167431304 /nfs/dbraw/zinc/43/13/04/1167431304.db2.gz LCZWRKKZGMWEEO-VIFPVBQESA-N -1 1 313.325 0.386 20 0 DCADMM Cc1cc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cnc1C ZINC001592016632 1167434738 /nfs/dbraw/zinc/43/47/38/1167434738.db2.gz VJLOZIUVRZNVGW-VIFPVBQESA-N -1 1 313.325 0.670 20 0 DCADMM Cc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)n2ncnc2n1 ZINC001592032025 1167438983 /nfs/dbraw/zinc/43/89/83/1167438983.db2.gz SGMJXTLGNLOINM-UHFFFAOYSA-N -1 1 311.265 0.458 20 0 DCADMM Cc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)n2ncnc2n1 ZINC001592032025 1167438987 /nfs/dbraw/zinc/43/89/87/1167438987.db2.gz SGMJXTLGNLOINM-UHFFFAOYSA-N -1 1 311.265 0.458 20 0 DCADMM Cc1cc(N[C@@H](CO)[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592035742 1167440908 /nfs/dbraw/zinc/44/09/08/1167440908.db2.gz SCLSFJBPOUGXJC-GWCFXTLKSA-N -1 1 304.354 0.191 20 0 DCADMM Cc1cc(N[C@@H](CO)[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592035742 1167440914 /nfs/dbraw/zinc/44/09/14/1167440914.db2.gz SCLSFJBPOUGXJC-GWCFXTLKSA-N -1 1 304.354 0.191 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N(C(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001592036294 1167442218 /nfs/dbraw/zinc/44/22/18/1167442218.db2.gz PWDFEFPZXDXLHW-LLVKDONJSA-N -1 1 301.354 0.413 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N(C(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001592036294 1167442222 /nfs/dbraw/zinc/44/22/22/1167442222.db2.gz PWDFEFPZXDXLHW-LLVKDONJSA-N -1 1 301.354 0.413 20 0 DCADMM Cc1cc(NC[C@H]2CCCCS2(=O)=O)nc(-c2nnn[n-]2)c1 ZINC001592044656 1167443389 /nfs/dbraw/zinc/44/33/89/1167443389.db2.gz VUAFXJCWTZNCPI-SNVBAGLBSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1cc(NC[C@H]2CCCCS2(=O)=O)nc(-c2nn[n-]n2)c1 ZINC001592044656 1167443405 /nfs/dbraw/zinc/44/34/05/1167443405.db2.gz VUAFXJCWTZNCPI-SNVBAGLBSA-N -1 1 322.394 0.949 20 0 DCADMM Cc1ccc(-c2nnn[n-]2)nc1NCCS(=O)(=O)C(C)C ZINC001592112186 1167457996 /nfs/dbraw/zinc/45/79/96/1167457996.db2.gz DYVZRPWOOIGAKX-UHFFFAOYSA-N -1 1 310.383 0.805 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCCS(=O)(=O)C(C)C ZINC001592112186 1167458001 /nfs/dbraw/zinc/45/80/01/1167458001.db2.gz DYVZRPWOOIGAKX-UHFFFAOYSA-N -1 1 310.383 0.805 20 0 DCADMM Cc1ccc(NCCS(=O)(=O)CC2CC2)nc1-c1nnn[n-]1 ZINC001592186113 1167473751 /nfs/dbraw/zinc/47/37/51/1167473751.db2.gz QHYVBYGYUXZXMJ-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1ccc(NCCS(=O)(=O)CC2CC2)nc1-c1nn[n-]n1 ZINC001592186113 1167473768 /nfs/dbraw/zinc/47/37/68/1167473768.db2.gz QHYVBYGYUXZXMJ-UHFFFAOYSA-N -1 1 322.394 0.807 20 0 DCADMM Cc1cccc(C(=O)NCCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001592220529 1167475073 /nfs/dbraw/zinc/47/50/73/1167475073.db2.gz GBDZBPOMYKHQFW-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1cccc(C(=O)NCCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001592220529 1167475077 /nfs/dbraw/zinc/47/50/77/1167475077.db2.gz GBDZBPOMYKHQFW-UHFFFAOYSA-N -1 1 324.348 0.807 20 0 DCADMM Cc1cccc(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001592231307 1167478795 /nfs/dbraw/zinc/47/87/95/1167478795.db2.gz SZPYJMXERWPYAQ-SECBINFHSA-N -1 1 313.325 0.039 20 0 DCADMM Cc1cccc2c1O[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)C2 ZINC001592244932 1167479258 /nfs/dbraw/zinc/47/92/58/1167479258.db2.gz RQQUMDRZKSAMCS-JTQLQIEISA-N -1 1 311.305 0.840 20 0 DCADMM Cc1cccc2c1O[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)C2 ZINC001592244932 1167479261 /nfs/dbraw/zinc/47/92/61/1167479261.db2.gz RQQUMDRZKSAMCS-JTQLQIEISA-N -1 1 311.305 0.840 20 0 DCADMM Cc1ccn(CN2CC[C@@H]3OCC[C@@H]3C2)c(=O)c1-c1nn[n-]n1 ZINC001592266908 1167479972 /nfs/dbraw/zinc/47/99/72/1167479972.db2.gz JEHFMPBPOHZMFO-NEPJUHHUSA-N -1 1 316.365 0.405 20 0 DCADMM Cc1ccnc(C(=O)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC001592271150 1167480005 /nfs/dbraw/zinc/48/00/05/1167480005.db2.gz SFXWOKLSEVNZKU-UHFFFAOYSA-N -1 1 310.317 0.923 20 0 DCADMM Cc1ccn(CN(C)Cc2nccs2)c(=O)c1-c1nn[n-]n1 ZINC001592266735 1167480200 /nfs/dbraw/zinc/48/02/00/1167480200.db2.gz GJZDBGBZEWFJIG-UHFFFAOYSA-N -1 1 317.378 0.883 20 0 DCADMM Cc1cccnc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592264155 1167480735 /nfs/dbraw/zinc/48/07/35/1167480735.db2.gz RSEMURIRMWWEAE-UHFFFAOYSA-N -1 1 320.334 0.642 20 0 DCADMM Cc1ccsc1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592284609 1167484265 /nfs/dbraw/zinc/48/42/65/1167484265.db2.gz BYWRIRKGECQQNR-UHFFFAOYSA-N -1 1 304.339 0.258 20 0 DCADMM Cc1cncc(CCNC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001592298713 1167485127 /nfs/dbraw/zinc/48/51/27/1167485127.db2.gz ISFFIFQGTZEGIK-UHFFFAOYSA-N -1 1 315.362 0.999 20 0 DCADMM Cc1[nH]nc(NC(=O)Cn2ccc(C(F)F)n2)c1-c1nn[n-]n1 ZINC001592329612 1167490407 /nfs/dbraw/zinc/49/04/07/1167490407.db2.gz BOSNDZBNDHFKAX-UHFFFAOYSA-N -1 1 323.267 0.671 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](O)CC23CCC3)n1 ZINC001592338276 1167494090 /nfs/dbraw/zinc/49/40/90/1167494090.db2.gz XVYKTJSRWAMLET-JTQLQIEISA-N -1 1 301.354 0.849 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@H](O)CC23CCC3)n1 ZINC001592338276 1167494092 /nfs/dbraw/zinc/49/40/92/1167494092.db2.gz XVYKTJSRWAMLET-JTQLQIEISA-N -1 1 301.354 0.849 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2c2nncn2C)n1 ZINC001592341329 1167495217 /nfs/dbraw/zinc/49/52/17/1167495217.db2.gz PTXANEXYDXKWOQ-SNVBAGLBSA-N -1 1 312.341 0.435 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2c2nncn2C)n1 ZINC001592341329 1167495222 /nfs/dbraw/zinc/49/52/22/1167495222.db2.gz PTXANEXYDXKWOQ-SNVBAGLBSA-N -1 1 312.341 0.435 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCO[C@]3(CCO[C@H]3C)C2)n1 ZINC001592341668 1167496227 /nfs/dbraw/zinc/49/62/27/1167496227.db2.gz ZIZDJVBZTFNIIC-LKFCYVNXSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCO[C@]3(CCO[C@H]3C)C2)n1 ZINC001592341668 1167496229 /nfs/dbraw/zinc/49/62/29/1167496229.db2.gz ZIZDJVBZTFNIIC-LKFCYVNXSA-N -1 1 317.353 0.349 20 0 DCADMM Cc1nc(N[C@@H]2CCC3(C2)OCCO3)cc(-c2nnn[n-]2)n1 ZINC001592382282 1167509555 /nfs/dbraw/zinc/50/95/55/1167509555.db2.gz MBYSZNSFYRSGLG-SECBINFHSA-N -1 1 303.326 0.673 20 0 DCADMM Cc1nc(N[C@@H]2CCC3(C2)OCCO3)cc(-c2nn[n-]n2)n1 ZINC001592382282 1167509559 /nfs/dbraw/zinc/50/95/59/1167509559.db2.gz MBYSZNSFYRSGLG-SECBINFHSA-N -1 1 303.326 0.673 20 0 DCADMM Cc1nc(NCCO[C@@H]2CCCCO2)cc(-c2nnn[n-]2)n1 ZINC001592390981 1167512253 /nfs/dbraw/zinc/51/22/53/1167512253.db2.gz APJVILUFTYBXAP-GFCCVEGCSA-N -1 1 305.342 0.920 20 0 DCADMM Cc1nc(NCCO[C@@H]2CCCCO2)cc(-c2nn[n-]n2)n1 ZINC001592390981 1167512260 /nfs/dbraw/zinc/51/22/60/1167512260.db2.gz APJVILUFTYBXAP-GFCCVEGCSA-N -1 1 305.342 0.920 20 0 DCADMM Cc1cnc(C)nc1NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001592408201 1167515496 /nfs/dbraw/zinc/51/54/96/1167515496.db2.gz KNNBFSMSAYHJBL-UHFFFAOYSA-N -1 1 314.357 0.624 20 0 DCADMM Cc1ncc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)s1 ZINC001592410585 1167516164 /nfs/dbraw/zinc/51/61/64/1167516164.db2.gz UVVXUARCGDLUHE-UHFFFAOYSA-N -1 1 303.351 0.853 20 0 DCADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592434930 1167519968 /nfs/dbraw/zinc/51/99/68/1167519968.db2.gz LCJFEHYDHJQASO-MRVPVSSYSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592434930 1167519971 /nfs/dbraw/zinc/51/99/71/1167519971.db2.gz LCJFEHYDHJQASO-MRVPVSSYSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)o1 ZINC001592440657 1167521931 /nfs/dbraw/zinc/52/19/31/1167521931.db2.gz FQMCKMBLGDWIJO-RXMQYKEDSA-N -1 1 318.297 0.274 20 0 DCADMM Cc1nnc([C@@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)o1 ZINC001592440657 1167521939 /nfs/dbraw/zinc/52/19/39/1167521939.db2.gz FQMCKMBLGDWIJO-RXMQYKEDSA-N -1 1 318.297 0.274 20 0 DCADMM Cc1nnc([C@H](C)OC(=O)c2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592441048 1167524387 /nfs/dbraw/zinc/52/43/87/1167524387.db2.gz OWFBIFPNGHYNBT-LURJTMIESA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nnc([C@H](C)OC(=O)c2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592441048 1167524390 /nfs/dbraw/zinc/52/43/90/1167524390.db2.gz OWFBIFPNGHYNBT-LURJTMIESA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nnc(CN(C)c2cc(-c3nnn[n-]3)nc(C3CC3)n2)o1 ZINC001592442468 1167524941 /nfs/dbraw/zinc/52/49/41/1167524941.db2.gz NUZNIANVDUPTRC-UHFFFAOYSA-N -1 1 313.325 0.862 20 0 DCADMM Cc1nnc(CN(C)c2cc(-c3nn[n-]n3)nc(C3CC3)n2)o1 ZINC001592442468 1167524949 /nfs/dbraw/zinc/52/49/49/1167524949.db2.gz NUZNIANVDUPTRC-UHFFFAOYSA-N -1 1 313.325 0.862 20 0 DCADMM Cc1nnc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)o1 ZINC001592443377 1167524962 /nfs/dbraw/zinc/52/49/62/1167524962.db2.gz BJPYXOBRMDQIES-UHFFFAOYSA-N -1 1 309.289 0.921 20 0 DCADMM Cc1noc(CCC(=O)Nc2snc(C)c2-c2nnn[n-]2)n1 ZINC001592461618 1167530117 /nfs/dbraw/zinc/53/01/17/1167530117.db2.gz BNYXGPDAAHFMCV-UHFFFAOYSA-N -1 1 320.338 0.894 20 0 DCADMM Cc1noc(CCC(=O)Nc2snc(C)c2-c2nn[n-]n2)n1 ZINC001592461618 1167530123 /nfs/dbraw/zinc/53/01/23/1167530123.db2.gz BNYXGPDAAHFMCV-UHFFFAOYSA-N -1 1 320.338 0.894 20 0 DCADMM Cc1nsc(N2C[C@H](CCO)[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001592471851 1167531820 /nfs/dbraw/zinc/53/18/20/1167531820.db2.gz IGFGRUCYNRDSHZ-IUCAKERBSA-N -1 1 310.383 0.059 20 0 DCADMM Cc1nsc(N2CCC3(CCNC3=O)CC2)c1-c1nn[n-]n1 ZINC001592474145 1167535406 /nfs/dbraw/zinc/53/54/06/1167535406.db2.gz GGXVHFUUUBGQNS-UHFFFAOYSA-N -1 1 319.394 0.738 20 0 DCADMM Cc1nsc(NC(=O)NC[C@H](O)C2CC2)c1-c1nnn[n-]1 ZINC001592481199 1167535820 /nfs/dbraw/zinc/53/58/20/1167535820.db2.gz IDHWVTNSXYWBGO-ZETCQYMHSA-N -1 1 309.355 0.524 20 0 DCADMM Cc1nsc(NC(=O)NC[C@H](O)C2CC2)c1-c1nn[n-]n1 ZINC001592481199 1167535823 /nfs/dbraw/zinc/53/58/23/1167535823.db2.gz IDHWVTNSXYWBGO-ZETCQYMHSA-N -1 1 309.355 0.524 20 0 DCADMM Cc1nsc(NC(=O)NC[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC001592481968 1167536745 /nfs/dbraw/zinc/53/67/45/1167536745.db2.gz YRZHQOGUGOCHMH-SSDOTTSWSA-N -1 1 309.355 0.790 20 0 DCADMM Cc1nsc(NC(=O)NC[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001592481968 1167536752 /nfs/dbraw/zinc/53/67/52/1167536752.db2.gz YRZHQOGUGOCHMH-SSDOTTSWSA-N -1 1 309.355 0.790 20 0 DCADMM Cc1nsc(NCCN(C)C(=O)C2CC2)c1-c1nn[n-]n1 ZINC001592493001 1167536828 /nfs/dbraw/zinc/53/68/28/1167536828.db2.gz UVOMYEWSVLGCQC-UHFFFAOYSA-N -1 1 307.383 0.912 20 0 DCADMM Cc1nsc(NC[C@H]2CCN(C(N)=O)C2)c1-c1nn[n-]n1 ZINC001592489131 1167537452 /nfs/dbraw/zinc/53/74/52/1167537452.db2.gz JSNHVENCKHVSOQ-SSDOTTSWSA-N -1 1 308.371 0.444 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC001592501267 1167540791 /nfs/dbraw/zinc/54/07/91/1167540791.db2.gz FJBOQQBTENTPED-MNOVXSKESA-N -1 1 303.322 0.923 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC001592501267 1167540796 /nfs/dbraw/zinc/54/07/96/1167540796.db2.gz FJBOQQBTENTPED-MNOVXSKESA-N -1 1 303.322 0.923 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCSC[C@@H]1CO ZINC001592500293 1167541497 /nfs/dbraw/zinc/54/14/97/1167541497.db2.gz VGIYBRMTPNJRMP-QMMMGPOBSA-N -1 1 309.351 0.318 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCSC[C@@H]1CO ZINC001592500293 1167541501 /nfs/dbraw/zinc/54/15/01/1167541501.db2.gz VGIYBRMTPNJRMP-QMMMGPOBSA-N -1 1 309.351 0.318 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2nccnc2C1 ZINC001592500280 1167541620 /nfs/dbraw/zinc/54/16/20/1167541620.db2.gz VDXSBJLEGVCJPK-UHFFFAOYSA-N -1 1 311.305 0.757 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2nccnc2C1 ZINC001592500280 1167541624 /nfs/dbraw/zinc/54/16/24/1167541624.db2.gz VDXSBJLEGVCJPK-UHFFFAOYSA-N -1 1 311.305 0.757 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1(CO)CCOCC1 ZINC001592503927 1167544224 /nfs/dbraw/zinc/54/42/24/1167544224.db2.gz ZZLXJWUECSSAOC-UHFFFAOYSA-N -1 1 321.337 0.287 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1(CO)CCOCC1 ZINC001592503927 1167544228 /nfs/dbraw/zinc/54/42/28/1167544228.db2.gz ZZLXJWUECSSAOC-UHFFFAOYSA-N -1 1 321.337 0.287 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CC[C@H](C)O2)c1-c1nnn[n-]1 ZINC001592516959 1167548176 /nfs/dbraw/zinc/54/81/76/1167548176.db2.gz CMZWEVDUKZSCJU-IONNQARKSA-N -1 1 306.326 0.389 20 0 DCADMM Cc1onc(CC(=O)NC[C@H]2CC[C@H](C)O2)c1-c1nn[n-]n1 ZINC001592516959 1167548186 /nfs/dbraw/zinc/54/81/86/1167548186.db2.gz CMZWEVDUKZSCJU-IONNQARKSA-N -1 1 306.326 0.389 20 0 DCADMM Cn1c(=O)[nH]c(NCCCOC(C)(C)C)c(-c2nn[n-]n2)c1=O ZINC001592545602 1167550382 /nfs/dbraw/zinc/55/03/82/1167550382.db2.gz GKBGPLPDGQWTJY-UHFFFAOYSA-N -1 1 323.357 0.283 20 0 DCADMM Cn1c(=O)[nH]c(NCCCC(C)(C)C)c(-c2nn[n-]n2)c1=O ZINC001592546994 1167553802 /nfs/dbraw/zinc/55/38/02/1167553802.db2.gz ZSYMNQOVULGWJA-UHFFFAOYSA-N -1 1 307.358 0.904 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCC2=CCCCC2)c1=O ZINC001592558274 1167558223 /nfs/dbraw/zinc/55/82/23/1167558223.db2.gz YGSFKZSXJJIUOB-UHFFFAOYSA-N -1 1 302.338 0.618 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2=CCOCC2)n1 ZINC001592559627 1167561448 /nfs/dbraw/zinc/56/14/48/1167561448.db2.gz BSBCIOKWYFFHGZ-UHFFFAOYSA-N -1 1 304.314 0.068 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2=CCOCC2)n1 ZINC001592559627 1167561458 /nfs/dbraw/zinc/56/14/58/1167561458.db2.gz BSBCIOKWYFFHGZ-UHFFFAOYSA-N -1 1 304.314 0.068 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2csc3cncn32)n1 ZINC001592559919 1167562016 /nfs/dbraw/zinc/56/20/16/1167562016.db2.gz IQSQHPQLJNEINZ-UHFFFAOYSA-N -1 1 315.322 0.562 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2csc3cncn32)n1 ZINC001592559919 1167562019 /nfs/dbraw/zinc/56/20/19/1167562019.db2.gz IQSQHPQLJNEINZ-UHFFFAOYSA-N -1 1 315.322 0.562 20 0 DCADMM Cn1ccnc1CCC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592585131 1167571783 /nfs/dbraw/zinc/57/17/83/1167571783.db2.gz PNLCGHLFJKOWHD-UHFFFAOYSA-N -1 1 318.366 0.306 20 0 DCADMM Cn1ccnc1CCC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592585131 1167571790 /nfs/dbraw/zinc/57/17/90/1167571790.db2.gz PNLCGHLFJKOWHD-UHFFFAOYSA-N -1 1 318.366 0.306 20 0 DCADMM Cn1cnc2c1nccc2C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592589267 1167573822 /nfs/dbraw/zinc/57/38/22/1167573822.db2.gz XDVMTKGYQYZINV-UHFFFAOYSA-N -1 1 310.281 0.124 20 0 DCADMM Cn1cnc2c1nccc2C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592589267 1167573827 /nfs/dbraw/zinc/57/38/27/1167573827.db2.gz XDVMTKGYQYZINV-UHFFFAOYSA-N -1 1 310.281 0.124 20 0 DCADMM Cn1nccc1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592607469 1167582545 /nfs/dbraw/zinc/58/25/45/1167582545.db2.gz FPFYLLHUASWYOX-UHFFFAOYSA-N -1 1 301.285 0.669 20 0 DCADMM Cn1nccc1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592607469 1167582550 /nfs/dbraw/zinc/58/25/50/1167582550.db2.gz FPFYLLHUASWYOX-UHFFFAOYSA-N -1 1 301.285 0.669 20 0 DCADMM FC1(F)C[C@H]2CN(c3ccnc(-c4nnn[n-]4)c3)CCN2C1 ZINC001592629812 1167587922 /nfs/dbraw/zinc/58/79/22/1167587922.db2.gz BZIZXUHLACDBPA-JTQLQIEISA-N -1 1 307.308 0.791 20 0 DCADMM FC1(F)C[C@H]2CN(c3ccnc(-c4nn[n-]n4)c3)CCN2C1 ZINC001592629812 1167587927 /nfs/dbraw/zinc/58/79/27/1167587927.db2.gz BZIZXUHLACDBPA-JTQLQIEISA-N -1 1 307.308 0.791 20 0 DCADMM NC(=O)[C@H](Cc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001592713669 1167608969 /nfs/dbraw/zinc/60/89/69/1167608969.db2.gz DAMPHUNPLYGIGV-JTQLQIEISA-N -1 1 310.321 0.165 20 0 DCADMM NC(=O)[C@H](Cc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001592713669 1167608973 /nfs/dbraw/zinc/60/89/73/1167608973.db2.gz DAMPHUNPLYGIGV-JTQLQIEISA-N -1 1 310.321 0.165 20 0 DCADMM Nc1cc(F)ccc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592759453 1167635993 /nfs/dbraw/zinc/63/59/93/1167635993.db2.gz BNBHBPLGRHRXOX-UHFFFAOYSA-N -1 1 313.296 0.913 20 0 DCADMM Nc1cc(F)ccc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592759453 1167635997 /nfs/dbraw/zinc/63/59/97/1167635997.db2.gz BNBHBPLGRHRXOX-UHFFFAOYSA-N -1 1 313.296 0.913 20 0 DCADMM Nc1ncccc1CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592762951 1167638382 /nfs/dbraw/zinc/63/83/82/1167638382.db2.gz RXJFTJBUDNQOPK-UHFFFAOYSA-N -1 1 311.309 0.561 20 0 DCADMM O=C(C1CC1)N1CCCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001592774728 1167643221 /nfs/dbraw/zinc/64/32/21/1167643221.db2.gz RDDLVXSULQIXSA-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(C1CC1)N1CCCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001592774728 1167643225 /nfs/dbraw/zinc/64/32/25/1167643225.db2.gz RDDLVXSULQIXSA-UHFFFAOYSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(CCCc1nn[n-]n1)NCc1cccc(-c2nn[nH]n2)c1 ZINC001592839745 1167649589 /nfs/dbraw/zinc/64/95/89/1167649589.db2.gz YAJZMEQFWBVTKJ-UHFFFAOYSA-N -1 1 313.325 0.019 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N(C1CC1)C1COC1 ZINC001592913673 1167662804 /nfs/dbraw/zinc/66/28/04/1167662804.db2.gz MYLMMIDPIXIACL-UHFFFAOYSA-N -1 1 300.322 0.194 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N(C1CC1)C1COC1 ZINC001592913673 1167662809 /nfs/dbraw/zinc/66/28/09/1167662809.db2.gz MYLMMIDPIXIACL-UHFFFAOYSA-N -1 1 300.322 0.194 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC1(CO)CCCC1 ZINC001592915301 1167665280 /nfs/dbraw/zinc/66/52/80/1167665280.db2.gz NGECACQIGLFFAW-UHFFFAOYSA-N -1 1 316.365 0.473 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC1(CO)CCCC1 ZINC001592915301 1167665283 /nfs/dbraw/zinc/66/52/83/1167665283.db2.gz NGECACQIGLFFAW-UHFFFAOYSA-N -1 1 316.365 0.473 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1COC2(CCC2)C1 ZINC001592915204 1167665526 /nfs/dbraw/zinc/66/55/26/1167665526.db2.gz MDPNFMZAMSJMDQ-NSHDSACASA-N -1 1 314.349 0.632 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1COC2(CCC2)C1 ZINC001592915204 1167665532 /nfs/dbraw/zinc/66/55/32/1167665532.db2.gz MDPNFMZAMSJMDQ-NSHDSACASA-N -1 1 314.349 0.632 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC1([C@@H]2CCOC2)CC1 ZINC001592914819 1167666410 /nfs/dbraw/zinc/66/64/10/1167666410.db2.gz KXAKUELNOQDDKP-LLVKDONJSA-N -1 1 315.333 0.917 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC1([C@@H]2CCOC2)CC1 ZINC001592914819 1167666414 /nfs/dbraw/zinc/66/64/14/1167666414.db2.gz KXAKUELNOQDDKP-LLVKDONJSA-N -1 1 315.333 0.917 20 0 DCADMM O=C(Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2)NC1CC1 ZINC001592937181 1167667600 /nfs/dbraw/zinc/66/76/00/1167667600.db2.gz KVABJMHXDZGZKD-UHFFFAOYSA-N -1 1 314.349 0.186 20 0 DCADMM O=C(Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1)N1CCC1 ZINC001592942940 1167670203 /nfs/dbraw/zinc/67/02/03/1167670203.db2.gz LEYIZOYONNVLDF-UHFFFAOYSA-N -1 1 310.321 0.358 20 0 DCADMM O=C(NC1CC1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001592968121 1167675753 /nfs/dbraw/zinc/67/57/53/1167675753.db2.gz XKWJPKAJFHHDAB-UHFFFAOYSA-N -1 1 314.353 0.256 20 0 DCADMM O=C(NC1CC1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001592968121 1167675761 /nfs/dbraw/zinc/67/57/61/1167675761.db2.gz XKWJPKAJFHHDAB-UHFFFAOYSA-N -1 1 314.353 0.256 20 0 DCADMM O=C(NC1CC1)N[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001592966685 1167677317 /nfs/dbraw/zinc/67/73/17/1167677317.db2.gz CXYSLWTXKPCTKJ-JTQLQIEISA-N -1 1 314.353 0.302 20 0 DCADMM O=C(NC1CC1)N[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001592966685 1167677319 /nfs/dbraw/zinc/67/73/19/1167677319.db2.gz CXYSLWTXKPCTKJ-JTQLQIEISA-N -1 1 314.353 0.302 20 0 DCADMM O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592965550 1167677523 /nfs/dbraw/zinc/67/75/23/1167677523.db2.gz LSBCBPNZOBHZTP-SNVBAGLBSA-N -1 1 316.321 0.200 20 0 DCADMM O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592965550 1167677528 /nfs/dbraw/zinc/67/75/28/1167677528.db2.gz LSBCBPNZOBHZTP-SNVBAGLBSA-N -1 1 316.321 0.200 20 0 DCADMM O=C(N[C@@H]1COCCC1=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001593001169 1167683312 /nfs/dbraw/zinc/68/33/12/1167683312.db2.gz FKILBTGBTOERAD-SECBINFHSA-N -1 1 305.269 0.094 20 0 DCADMM O=C(N[C@@H]1COCCC1=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001593001169 1167683316 /nfs/dbraw/zinc/68/33/16/1167683316.db2.gz FKILBTGBTOERAD-SECBINFHSA-N -1 1 305.269 0.094 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1coc(-c2nnn[n-]2)c1 ZINC001593003863 1167683923 /nfs/dbraw/zinc/68/39/23/1167683923.db2.gz ISJOIYUXSOVKIW-DGCLKSJQSA-N -1 1 311.301 0.848 20 0 DCADMM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1coc(-c2nn[n-]n2)c1 ZINC001593003863 1167683927 /nfs/dbraw/zinc/68/39/27/1167683927.db2.gz ISJOIYUXSOVKIW-DGCLKSJQSA-N -1 1 311.301 0.848 20 0 DCADMM O=C(NC[C@H](O)c1cccnc1)c1coc(-c2nnn[n-]2)c1 ZINC001593013956 1167688173 /nfs/dbraw/zinc/68/81/73/1167688173.db2.gz QEUVAVFHGYLWAB-JTQLQIEISA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@H](O)c1cccnc1)c1coc(-c2nn[n-]n2)c1 ZINC001593013956 1167688177 /nfs/dbraw/zinc/68/81/77/1167688177.db2.gz QEUVAVFHGYLWAB-JTQLQIEISA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NCC1CC2(C1)OCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593028751 1167690046 /nfs/dbraw/zinc/69/00/46/1167690046.db2.gz RNSYNWHPMVDZLG-UHFFFAOYSA-N -1 1 316.321 0.145 20 0 DCADMM O=C(NCC1CC2(C1)OCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593028751 1167690053 /nfs/dbraw/zinc/69/00/53/1167690053.db2.gz RNSYNWHPMVDZLG-UHFFFAOYSA-N -1 1 316.321 0.145 20 0 DCADMM O=C(NC[C@@H]1CC[C@H](O)C1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593029428 1167690442 /nfs/dbraw/zinc/69/04/42/1167690442.db2.gz KDDCLHWEYOSPAV-SCZZXKLOSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@@H]1CC[C@H](O)C1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593029428 1167690445 /nfs/dbraw/zinc/69/04/45/1167690445.db2.gz KDDCLHWEYOSPAV-SCZZXKLOSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CC12CCC2 ZINC001593089827 1167704448 /nfs/dbraw/zinc/70/44/48/1167704448.db2.gz PAZKDPDUQCBHFJ-VIFPVBQESA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CC12CCC2 ZINC001593089827 1167704457 /nfs/dbraw/zinc/70/44/57/1167704457.db2.gz PAZKDPDUQCBHFJ-VIFPVBQESA-N -1 1 314.353 0.375 20 0 DCADMM O=C(NC[C@@H]1CCC[C@H]1O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593111272 1167711772 /nfs/dbraw/zinc/71/17/72/1167711772.db2.gz UWMZJOXSHSGQHP-GZMMTYOYSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@@H]1CCC[C@H]1O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593111272 1167711779 /nfs/dbraw/zinc/71/17/79/1167711779.db2.gz UWMZJOXSHSGQHP-GZMMTYOYSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@@H]1CCCO1 ZINC001593122072 1167714038 /nfs/dbraw/zinc/71/40/38/1167714038.db2.gz WCJQREYGPZKHRP-JTQLQIEISA-N -1 1 309.276 0.940 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@@H]1CCCO1 ZINC001593122072 1167714043 /nfs/dbraw/zinc/71/40/43/1167714043.db2.gz WCJQREYGPZKHRP-JTQLQIEISA-N -1 1 309.276 0.940 20 0 DCADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@H](O)C1CCC1 ZINC001593121648 1167714874 /nfs/dbraw/zinc/71/48/74/1167714874.db2.gz MZSOLCMWHUAARU-GFCCVEGCSA-N -1 1 323.303 0.922 20 0 DCADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@H](O)C1CCC1 ZINC001593121648 1167714882 /nfs/dbraw/zinc/71/48/82/1167714882.db2.gz MZSOLCMWHUAARU-GFCCVEGCSA-N -1 1 323.303 0.922 20 0 DCADMM O=C(NCc1cc(=O)[nH]c(=O)[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC001593122251 1167715314 /nfs/dbraw/zinc/71/53/14/1167715314.db2.gz WYFHBBFQQRHKAC-UHFFFAOYSA-N -1 1 319.306 0.059 20 0 DCADMM O=C(NCc1cc(=O)[nH]c(=O)[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC001593122251 1167715319 /nfs/dbraw/zinc/71/53/19/1167715319.db2.gz WYFHBBFQQRHKAC-UHFFFAOYSA-N -1 1 319.306 0.059 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N(CCO)CC(F)F ZINC001593253842 1167744329 /nfs/dbraw/zinc/74/43/29/1167744329.db2.gz LULUCSKFGHWHBL-UHFFFAOYSA-N -1 1 313.268 0.353 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N(CCO)CC(F)F ZINC001593253842 1167744333 /nfs/dbraw/zinc/74/43/33/1167744333.db2.gz LULUCSKFGHWHBL-UHFFFAOYSA-N -1 1 313.268 0.353 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1C[C@@H](O)C12CCC2 ZINC001593244093 1167744996 /nfs/dbraw/zinc/74/49/96/1167744996.db2.gz KWLPGXGQRLTLSZ-VHSXEESVSA-N -1 1 315.337 0.687 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1C[C@@H](O)C12CCC2 ZINC001593244093 1167745003 /nfs/dbraw/zinc/74/50/03/1167745003.db2.gz KWLPGXGQRLTLSZ-VHSXEESVSA-N -1 1 315.337 0.687 20 0 DCADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CCCOCC1 ZINC001593256155 1167746897 /nfs/dbraw/zinc/74/68/97/1167746897.db2.gz ORRJCDRUBCVTGO-SECBINFHSA-N -1 1 303.326 0.952 20 0 DCADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CCCOCC1 ZINC001593256155 1167746899 /nfs/dbraw/zinc/74/68/99/1167746899.db2.gz ORRJCDRUBCVTGO-SECBINFHSA-N -1 1 303.326 0.952 20 0 DCADMM O=C(Nc1nc(CCO)cs1)c1ccc(-c2nn[n-]n2)o1 ZINC001593263244 1167749213 /nfs/dbraw/zinc/74/92/13/1167749213.db2.gz JSAALMHOJHSIEG-UHFFFAOYSA-N -1 1 306.307 0.703 20 0 DCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1=COCCO1 ZINC001593263263 1167750797 /nfs/dbraw/zinc/75/07/97/1167750797.db2.gz KMHHWUMVTFASHM-UHFFFAOYSA-N -1 1 314.714 0.803 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@H]2O1)c1cccc(-c2nnn[n-]2)n1 ZINC001593285519 1167757580 /nfs/dbraw/zinc/75/75/80/1167757580.db2.gz VKGPAYPLJSXTSL-VDDIYKPWSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OC[C@@H]1C[C@@H]2COC[C@H]2O1)c1cccc(-c2nn[n-]n2)n1 ZINC001593285519 1167757587 /nfs/dbraw/zinc/75/75/87/1167757587.db2.gz VKGPAYPLJSXTSL-VDDIYKPWSA-N -1 1 317.305 0.222 20 0 DCADMM O=C(OC[C@@H]1CCC2(COC2)O1)c1coc(-c2nnn[n-]2)c1 ZINC001593284384 1167758716 /nfs/dbraw/zinc/75/87/16/1167758716.db2.gz MXQJBBXMVMDTRE-VIFPVBQESA-N -1 1 306.278 0.565 20 0 DCADMM O=C(OC[C@@H]1CCC2(COC2)O1)c1coc(-c2nn[n-]n2)c1 ZINC001593284384 1167758721 /nfs/dbraw/zinc/75/87/21/1167758721.db2.gz MXQJBBXMVMDTRE-VIFPVBQESA-N -1 1 306.278 0.565 20 0 DCADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001593358769 1167784204 /nfs/dbraw/zinc/78/42/04/1167784204.db2.gz OAJNTYBIQSAPJX-NEPJUHHUSA-N -1 1 314.349 0.760 20 0 DCADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001593358769 1167784208 /nfs/dbraw/zinc/78/42/08/1167784208.db2.gz OAJNTYBIQSAPJX-NEPJUHHUSA-N -1 1 314.349 0.760 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC(C2CCOCC2)C1 ZINC001593348431 1167784400 /nfs/dbraw/zinc/78/44/00/1167784400.db2.gz XVGNIXMDBAXFJK-UHFFFAOYSA-N -1 1 314.349 0.760 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC(C2CCOCC2)C1 ZINC001593348431 1167784409 /nfs/dbraw/zinc/78/44/09/1167784409.db2.gz XVGNIXMDBAXFJK-UHFFFAOYSA-N -1 1 314.349 0.760 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC2(CCNC2=O)CC1 ZINC001593367032 1167788086 /nfs/dbraw/zinc/78/80/86/1167788086.db2.gz HHFLLEYYNWHETN-UHFFFAOYSA-N -1 1 316.321 0.202 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC2(CCNC2=O)CC1 ZINC001593367032 1167788092 /nfs/dbraw/zinc/78/80/92/1167788092.db2.gz HHFLLEYYNWHETN-UHFFFAOYSA-N -1 1 316.321 0.202 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC(OC(F)F)C1 ZINC001593371590 1167790100 /nfs/dbraw/zinc/79/01/00/1167790100.db2.gz USKIGENVRJSWFT-UHFFFAOYSA-N -1 1 301.278 0.992 20 0 DCADMM O=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593389600 1167802829 /nfs/dbraw/zinc/80/28/29/1167802829.db2.gz YQXQNUPAUQWFII-OCAPTIKFSA-N -1 1 323.334 0.344 20 0 DCADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC(=O)N2CCC[C@H]21 ZINC001593395185 1167805165 /nfs/dbraw/zinc/80/51/65/1167805165.db2.gz TXGJHPODSQWKLL-SNVBAGLBSA-N -1 1 302.294 0.254 20 0 DCADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC(=O)N2CCC[C@H]21 ZINC001593395185 1167805172 /nfs/dbraw/zinc/80/51/72/1167805172.db2.gz TXGJHPODSQWKLL-SNVBAGLBSA-N -1 1 302.294 0.254 20 0 DCADMM O=C1NCC[C@@H]2CCCN(Cc3nc(-c4nnn[n-]4)cs3)[C@H]12 ZINC001593404555 1167816897 /nfs/dbraw/zinc/81/68/97/1167816897.db2.gz LESQHECFZAUEFF-KWQFWETISA-N -1 1 319.394 0.424 20 0 DCADMM O=C1NCC[C@@H]2CCCN(Cc3nc(-c4nn[n-]n4)cs3)[C@H]12 ZINC001593404555 1167816907 /nfs/dbraw/zinc/81/69/07/1167816907.db2.gz LESQHECFZAUEFF-KWQFWETISA-N -1 1 319.394 0.424 20 0 DCADMM O=C1OCC[C@H]1CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001593414065 1167826782 /nfs/dbraw/zinc/82/67/82/1167826782.db2.gz COKNMLQHOANVPZ-SECBINFHSA-N -1 1 315.333 0.470 20 0 DCADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC12CCCC2 ZINC001593451702 1167843831 /nfs/dbraw/zinc/84/38/31/1167843831.db2.gz HSZYFSJBWGFPMR-UHFFFAOYSA-N -1 1 320.378 0.969 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC12CCCC2 ZINC001593451702 1167843843 /nfs/dbraw/zinc/84/38/43/1167843843.db2.gz HSZYFSJBWGFPMR-UHFFFAOYSA-N -1 1 320.378 0.969 20 0 DCADMM O=S1(=O)CCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001593462671 1167850181 /nfs/dbraw/zinc/85/01/81/1167850181.db2.gz CSCKQCDZKRINRH-QMMMGPOBSA-N -1 1 309.355 0.036 20 0 DCADMM O=S1(=O)CCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001593462671 1167850185 /nfs/dbraw/zinc/85/01/85/1167850185.db2.gz CSCKQCDZKRINRH-QMMMGPOBSA-N -1 1 309.355 0.036 20 0 DCADMM O=C1N=NC(C2CCN(c3ncncc3-c3nn[n-]n3)CC2)O1 ZINC001593489564 1167870863 /nfs/dbraw/zinc/87/08/63/1167870863.db2.gz DBPKKRXYMSRUGJ-UHFFFAOYSA-N -1 1 315.297 0.129 20 0 DCADMM O=c1[n-]nc([C@H]2CCCN(c3cnc(-c4nn[nH]n4)cn3)C2)o1 ZINC001593490300 1167876529 /nfs/dbraw/zinc/87/65/29/1167876529.db2.gz YNNDWQYTGRPKLP-ZETCQYMHSA-N -1 1 315.297 0.129 20 0 DCADMM O=c1onc(-c2ccncc2)n1Cc1ccnc(-c2nnn[n-]2)c1 ZINC001593497496 1167878892 /nfs/dbraw/zinc/87/88/92/1167878892.db2.gz AWWXMYAWUCFAGN-UHFFFAOYSA-N -1 1 322.288 0.522 20 0 DCADMM O=c1onc(-c2ccncc2)n1Cc1ccnc(-c2nn[n-]n2)c1 ZINC001593497496 1167878904 /nfs/dbraw/zinc/87/89/04/1167878904.db2.gz AWWXMYAWUCFAGN-UHFFFAOYSA-N -1 1 322.288 0.522 20 0 DCADMM O[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@H]1F ZINC001593520862 1167894214 /nfs/dbraw/zinc/89/42/14/1167894214.db2.gz XRNVLUPPHUYRAG-SCZZXKLOSA-N -1 1 305.317 0.443 20 0 DCADMM O[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@H]1F ZINC001593520862 1167894217 /nfs/dbraw/zinc/89/42/17/1167894217.db2.gz XRNVLUPPHUYRAG-SCZZXKLOSA-N -1 1 305.317 0.443 20 0 DCADMM OC[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001593524985 1167901018 /nfs/dbraw/zinc/90/10/18/1167901018.db2.gz WVNHMCDDGLVYQH-VIFPVBQESA-N -1 1 301.354 0.743 20 0 DCADMM OC[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001593524985 1167901025 /nfs/dbraw/zinc/90/10/25/1167901025.db2.gz 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1167923618 /nfs/dbraw/zinc/92/36/18/1167923618.db2.gz NTVBVRQVVIYHHK-UHFFFAOYSA-N -1 1 311.305 0.761 20 0 DCADMM c1cc(N[C@H]2CCOC3(CCOCC3)C2)nc(-c2nn[n-]n2)n1 ZINC001593558991 1167934746 /nfs/dbraw/zinc/93/47/46/1167934746.db2.gz RTASMRVLQIFFAT-JTQLQIEISA-N -1 1 317.353 0.219 20 0 DCADMM c1cc(NC[C@@H]2CCC3(CCC3)CO2)nc(-c2nn[n-]n2)n1 ZINC001593558450 1167937972 /nfs/dbraw/zinc/93/79/72/1167937972.db2.gz NLSNWVJWQHHDCL-JTQLQIEISA-N -1 1 301.354 0.840 20 0 DCADMM c1cc(N2CCSC3(CCOCC3)C2)nnc1-c1nnn[n-]1 ZINC001593559236 1167940386 /nfs/dbraw/zinc/94/03/86/1167940386.db2.gz UKRBNMQTPLATQM-UHFFFAOYSA-N -1 1 319.394 0.759 20 0 DCADMM c1cc(N2CCSC3(CCOCC3)C2)nnc1-c1nn[n-]n1 ZINC001593559236 1167940404 /nfs/dbraw/zinc/94/04/04/1167940404.db2.gz UKRBNMQTPLATQM-UHFFFAOYSA-N -1 1 319.394 0.759 20 0 DCADMM c1nc(CNc2ncncc2-c2nn[n-]n2)n(-c2ccccc2)n1 ZINC001593570111 1167948050 /nfs/dbraw/zinc/94/80/50/1167948050.db2.gz AKIMUZYZUSCERD-UHFFFAOYSA-N -1 1 320.320 0.850 20 0 DCADMM c1cn2c(n1)[C@@H](NCc1cnc3c(-c4nn[n-]n4)cnn3c1)CC2 ZINC001593583137 1167948570 /nfs/dbraw/zinc/94/85/70/1167948570.db2.gz OSGNCZCACLPIGV-NSHDSACASA-N -1 1 322.336 0.341 20 0 DCADMM c1cnc(-c2nnn[n-]2)c(OCc2noc3c2COCC3)c1 ZINC001593584740 1167953046 /nfs/dbraw/zinc/95/30/46/1167953046.db2.gz MPDPLKQEFKMSTE-UHFFFAOYSA-N -1 1 300.278 0.901 20 0 DCADMM c1cnc(-c2nn[n-]n2)c(OCc2noc3c2COCC3)c1 ZINC001593584740 1167953048 /nfs/dbraw/zinc/95/30/48/1167953048.db2.gz MPDPLKQEFKMSTE-UHFFFAOYSA-N -1 1 300.278 0.901 20 0 DCADMM COC[C@@H](NC(=O)c1ccn2c(C)cnc2c1)c1nn[n-]n1 ZINC001595888881 1167979254 /nfs/dbraw/zinc/97/92/54/1167979254.db2.gz IQEYTIQXMNPMLK-SNVBAGLBSA-N -1 1 301.310 0.273 20 0 DCADMM CCOC(=O)[C@@H](CC)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001595948008 1167984379 /nfs/dbraw/zinc/98/43/79/1167984379.db2.gz GZHLXJKCIXWELI-QWRGUYRKSA-N -1 1 309.370 0.570 20 0 DCADMM COC(=O)CNC(=O)[C@H]1CCCN1Cc1ccccc1C(=O)[O-] ZINC001598864591 1168049823 /nfs/dbraw/zinc/04/98/23/1168049823.db2.gz 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Cc1cc(NC(=O)[C@@H]2CN3CCN2C[C@H]3C)nc(C)c1C(=O)[O-] ZINC001600252357 1168150200 /nfs/dbraw/zinc/15/02/00/1168150200.db2.gz CIIPBBCHFOGZNC-PWSUYJOCSA-N -1 1 318.377 0.723 20 0 DCADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001600351417 1168172586 /nfs/dbraw/zinc/17/25/86/1168172586.db2.gz WMHJAFHYKYJXLL-PWSUYJOCSA-N -1 1 319.361 0.841 20 0 DCADMM Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H]2C)cc1C(=O)[O-] ZINC001600441207 1168185805 /nfs/dbraw/zinc/18/58/05/1168185805.db2.gz SNYZISJUEHGPEJ-GWCFXTLKSA-N -1 1 319.361 0.841 20 0 DCADMM Cc1ccccc1[C@H](C(=O)[O-])N1CCN(CC(=O)N(C)C)CC1 ZINC001600566015 1168200846 /nfs/dbraw/zinc/20/08/46/1168200846.db2.gz BCOJQRHDWJGSPX-MRXNPFEDSA-N -1 1 319.405 0.827 20 0 DCADMM Cc1cn2ccnc(C(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])c2n1 ZINC001600615538 1168215122 /nfs/dbraw/zinc/21/51/22/1168215122.db2.gz VMFGHXPQOOIQFN-SNVBAGLBSA-N -1 1 314.305 0.187 20 0 DCADMM Cc1nnc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)[nH]1 ZINC001600670130 1168240561 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CCn1ncc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1C ZINC001604621971 1169634162 /nfs/dbraw/zinc/63/41/62/1169634162.db2.gz DBBSFEYWUAWVIL-MRVPVSSYSA-N -1 1 316.329 0.183 20 0 DCADMM CN(C)C(=O)OCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604671297 1169648275 /nfs/dbraw/zinc/64/82/75/1169648275.db2.gz RTMMZQQVKLPCDR-UHFFFAOYSA-N -1 1 310.339 0.356 20 0 DCADMM CN(C[C@@H](O)C1CC1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604716443 1169662523 /nfs/dbraw/zinc/66/25/23/1169662523.db2.gz CJOOSECHCYFONW-GFCCVEGCSA-N -1 1 302.338 0.034 20 0 DCADMM CN(C[C@@H](O)C1CC1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604716443 1169662528 /nfs/dbraw/zinc/66/25/28/1169662528.db2.gz CJOOSECHCYFONW-GFCCVEGCSA-N -1 1 302.338 0.034 20 0 DCADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001604766604 1169674326 /nfs/dbraw/zinc/67/43/26/1169674326.db2.gz JARWMWAIWQWSFL-ZEGGKSINSA-N -1 1 317.349 0.611 20 0 DCADMM C[C@H]1CN(C(=O)c2c[nH]c(C(=O)[O-])c2)CCN1CC(C)(C)O ZINC001604779389 1169680099 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CNC(=O)[C@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001604875444 1169726088 /nfs/dbraw/zinc/72/60/88/1169726088.db2.gz PMMPSKYUVOWONW-GFCCVEGCSA-N -1 1 307.383 0.594 20 0 DCADMM CNC(=O)CCSc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001604879904 1169728441 /nfs/dbraw/zinc/72/84/41/1169728441.db2.gz NICGQAKACBALDD-UHFFFAOYSA-N -1 1 322.350 0.277 20 0 DCADMM CNC(=O)CCSc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001604879904 1169728467 /nfs/dbraw/zinc/72/84/67/1169728467.db2.gz NICGQAKACBALDD-UHFFFAOYSA-N -1 1 322.350 0.277 20 0 DCADMM COC(=O)C[C@@H]1CCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001604946127 1169758165 /nfs/dbraw/zinc/75/81/65/1169758165.db2.gz PJOQEVPEDULGGA-DTWKUNHWSA-N -1 1 303.326 0.222 20 0 DCADMM COC(=O)[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C1CC1 ZINC001604958989 1169763219 /nfs/dbraw/zinc/76/32/19/1169763219.db2.gz HTPYCMPDRLBMQW-VHSXEESVSA-N -1 1 315.337 0.292 20 0 DCADMM COC(=O)[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C1CC1 ZINC001604958989 1169763226 /nfs/dbraw/zinc/76/32/26/1169763226.db2.gz HTPYCMPDRLBMQW-VHSXEESVSA-N -1 1 315.337 0.292 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC2CC(C)C2)c1 ZINC001604964241 1169764328 /nfs/dbraw/zinc/76/43/28/1169764328.db2.gz KSYYMHCFHLIICU-UHFFFAOYSA-N -1 1 303.322 0.861 20 0 DCADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CCO[C@@H]2C)c1 ZINC001604964651 1169765224 /nfs/dbraw/zinc/76/52/24/1169765224.db2.gz YRNTVSVVBWCTDG-BDAKNGLRSA-N -1 1 319.321 0.240 20 0 DCADMM CC[C@H](C)N1CCN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001604965727 1169767964 /nfs/dbraw/zinc/76/79/64/1169767964.db2.gz UBHMFXMJAVXQPX-UONOGXRCSA-N -1 1 311.426 0.868 20 0 DCADMM CO[C@@H](C)CCNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001605001932 1169773156 /nfs/dbraw/zinc/77/31/56/1169773156.db2.gz BRZLEFWGUXQUGG-QMMMGPOBSA-N -1 1 306.326 0.431 20 0 DCADMM CC[C@@H](CO)NCc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC001605046945 1169795464 /nfs/dbraw/zinc/79/54/64/1169795464.db2.gz SNNZLKPJOACWCP-ZETCQYMHSA-N -1 1 311.363 0.852 20 0 DCADMM COC[C@H](COC(=O)c1cccc(F)c1-c1nnn[n-]1)OC 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307.358 0.820 20 0 DCADMM CO[C@H]1C[C@H](CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001605153450 1169851600 /nfs/dbraw/zinc/85/16/00/1169851600.db2.gz FZSHEFDTLBRAGM-CZMCAQCFSA-N -1 1 303.326 0.808 20 0 DCADMM CO[C@H]1C[C@H](CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001605153450 1169851609 /nfs/dbraw/zinc/85/16/09/1169851609.db2.gz FZSHEFDTLBRAGM-CZMCAQCFSA-N -1 1 303.326 0.808 20 0 DCADMM COc1ccc([C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001605265592 1169883554 /nfs/dbraw/zinc/88/35/54/1169883554.db2.gz YXGTVDLCGXYCEL-NSHDSACASA-N -1 1 313.321 0.233 20 0 DCADMM CCCN(C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[C@H]1CCN(C)C1 ZINC001605299574 1169890424 /nfs/dbraw/zinc/89/04/24/1169890424.db2.gz PUIGSVJNJWDRBE-STQMWFEESA-N -1 1 323.393 0.219 20 0 DCADMM CCCNC(=O)CCC(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1 ZINC001605326715 1169895857 /nfs/dbraw/zinc/89/58/57/1169895857.db2.gz KJRMJRPPJUIZHF-LBPRGKRZSA-N -1 1 313.398 0.300 20 0 DCADMM CCCNC(=O)CCC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001605326715 1169895865 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Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)nn1C ZINC001605465131 1169930401 /nfs/dbraw/zinc/93/04/01/1169930401.db2.gz QDCZFDVUXYSIKK-XVKPBYJWSA-N -1 1 317.353 0.852 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)nn1C ZINC001605465131 1169930411 /nfs/dbraw/zinc/93/04/11/1169930411.db2.gz QDCZFDVUXYSIKK-XVKPBYJWSA-N -1 1 317.353 0.852 20 0 DCADMM CCN1CCN(CC(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)CC1 ZINC001605482097 1169936763 /nfs/dbraw/zinc/93/67/63/1169936763.db2.gz NDNYHLHTRZLAOW-RFQIPJPRSA-N -1 1 309.410 0.239 20 0 DCADMM CCNc1ncc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC001605504163 1169941191 /nfs/dbraw/zinc/94/11/91/1169941191.db2.gz WWXWVPDBUGXZBR-QMMMGPOBSA-N -1 1 309.351 0.724 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(CC(C)C)C(=O)C2)c1 ZINC001605563517 1169960220 /nfs/dbraw/zinc/96/02/20/1169960220.db2.gz XPEOXYILASCVBD-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(CC(C)C)C(=O)C2)c1 ZINC001605563517 1169960227 /nfs/dbraw/zinc/96/02/27/1169960227.db2.gz XPEOXYILASCVBD-UHFFFAOYSA-N -1 1 315.381 0.875 20 0 DCADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001605558649 1169961021 /nfs/dbraw/zinc/96/10/21/1169961021.db2.gz IWARDZRWVAFVJL-QJPTWQEYSA-N -1 1 312.366 0.193 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC001605570218 1169962257 /nfs/dbraw/zinc/96/22/57/1169962257.db2.gz VDWNNSDVUPIWCL-VIFPVBQESA-N -1 1 316.369 0.776 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC001605570218 1169962260 /nfs/dbraw/zinc/96/22/60/1169962260.db2.gz VDWNNSDVUPIWCL-VIFPVBQESA-N -1 1 316.369 0.776 20 0 DCADMM CCOC(=O)c1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)nc1 ZINC001605571321 1169963120 /nfs/dbraw/zinc/96/31/20/1169963120.db2.gz LNHUWXRDMMWQCV-CQSZACIVSA-N -1 1 322.361 0.916 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCCCOC[C@H]2CCCO2)n1 ZINC001605578111 1169964211 /nfs/dbraw/zinc/96/42/11/1169964211.db2.gz FJWMCLKCBHGQBE-LLVKDONJSA-N -1 1 319.369 0.963 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCCCOC[C@H]2CCCO2)n1 ZINC001605578111 1169964216 /nfs/dbraw/zinc/96/42/16/1169964216.db2.gz FJWMCLKCBHGQBE-LLVKDONJSA-N -1 1 319.369 0.963 20 0 DCADMM Cc1cc(C)nc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001605650966 1169982113 /nfs/dbraw/zinc/98/21/13/1169982113.db2.gz GSNBUECBJSJHIZ-VIFPVBQESA-N -1 1 313.325 0.670 20 0 DCADMM Cc1cc(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)nn1C ZINC001605662788 1169983963 /nfs/dbraw/zinc/98/39/63/1169983963.db2.gz GLAXHFDDSUPLJW-UHFFFAOYSA-N -1 1 313.321 0.590 20 0 DCADMM Cc1cc(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)nn1C ZINC001605662788 1169983966 /nfs/dbraw/zinc/98/39/66/1169983966.db2.gz GLAXHFDDSUPLJW-UHFFFAOYSA-N -1 1 313.321 0.590 20 0 DCADMM Cc1ccc(NCCc2nnc3n2CCC3)nc1-c1nnn[n-]1 ZINC001605874265 1170019545 /nfs/dbraw/zinc/01/95/45/1170019545.db2.gz LTHMRTWUMIEXCS-UHFFFAOYSA-N -1 1 311.353 0.762 20 0 DCADMM Cc1ccc(NCCc2nnc3n2CCC3)nc1-c1nn[n-]n1 ZINC001605874265 1170019550 /nfs/dbraw/zinc/01/95/50/1170019550.db2.gz LTHMRTWUMIEXCS-UHFFFAOYSA-N -1 1 311.353 0.762 20 0 DCADMM Cc1[nH]nc(NC(=O)Cc2ccnc(F)c2)c1-c1nn[n-]n1 ZINC001606013142 1170049775 /nfs/dbraw/zinc/04/97/75/1170049775.db2.gz FAJHAXJOCSMISL-UHFFFAOYSA-N -1 1 302.273 0.614 20 0 DCADMM CN(C)CCN(C)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001606026886 1170057295 /nfs/dbraw/zinc/05/72/95/1170057295.db2.gz WUBQRMGDBBYACC-UHFFFAOYSA-N -1 1 322.333 0.845 20 0 DCADMM CN(C)Cc1ccc(C(=O)Nc2nn(C)cc2C(=O)[O-])cn1 ZINC001606033447 1170060976 /nfs/dbraw/zinc/06/09/76/1170060976.db2.gz BTZHYQFPPYARHH-UHFFFAOYSA-N -1 1 303.322 0.827 20 0 DCADMM Cc1nc(NC[C@H]2CCN(C)C(=O)C2)cc(-c2nnn[n-]2)n1 ZINC001606069482 1170069162 /nfs/dbraw/zinc/06/91/62/1170069162.db2.gz JJGFXWPQLWYZLA-VIFPVBQESA-N -1 1 302.342 0.245 20 0 DCADMM Cc1nc(NC[C@H]2CCN(C)C(=O)C2)cc(-c2nn[n-]n2)n1 ZINC001606069482 1170069169 /nfs/dbraw/zinc/06/91/69/1170069169.db2.gz JJGFXWPQLWYZLA-VIFPVBQESA-N -1 1 302.342 0.245 20 0 DCADMM Cc1nc2c(cccc2C(=O)n2ncc(-c3nn[n-]n3)c2N)o1 ZINC001606082312 1170072297 /nfs/dbraw/zinc/07/22/97/1170072297.db2.gz NPHGUFCEKQGHKI-UHFFFAOYSA-N -1 1 310.277 0.784 20 0 DCADMM Cc1nc2n(n1)CCN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001606083689 1170072643 /nfs/dbraw/zinc/07/26/43/1170072643.db2.gz IGJKDSGDAZDGFY-UHFFFAOYSA-N -1 1 324.352 0.454 20 0 DCADMM Cc1nc2n(n1)CCN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001606083689 1170072650 /nfs/dbraw/zinc/07/26/50/1170072650.db2.gz IGJKDSGDAZDGFY-UHFFFAOYSA-N -1 1 324.352 0.454 20 0 DCADMM Cc1ncccc1OS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001606097344 1170076622 /nfs/dbraw/zinc/07/66/22/1170076622.db2.gz VOBCPDXAMGRGSC-UHFFFAOYSA-N -1 1 318.318 0.733 20 0 DCADMM Cc1noc(C)c1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001606131473 1170088555 /nfs/dbraw/zinc/08/85/55/1170088555.db2.gz BDISYLNBJDGKRE-UHFFFAOYSA-N -1 1 324.322 0.890 20 0 DCADMM Cc1nsc(N2CCc3[nH]nc(N)c3C2)c1-c1nn[n-]n1 ZINC001606147924 1170093847 /nfs/dbraw/zinc/09/38/47/1170093847.db2.gz DCCAGRXAVZIEJB-UHFFFAOYSA-N -1 1 303.355 0.500 20 0 DCADMM Cc1nsc(N2CCC3(COC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC001606144810 1170094735 /nfs/dbraw/zinc/09/47/35/1170094735.db2.gz MZCROUBPPJPXEP-UHFFFAOYSA-N -1 1 321.366 0.710 20 0 DCADMM Cc1nsc(NC(=O)NCc2cncn2C)c1-c1nn[n-]n1 ZINC001606150886 1170095191 /nfs/dbraw/zinc/09/51/91/1170095191.db2.gz HHUNWKUCKWIFRQ-UHFFFAOYSA-N -1 1 319.354 0.687 20 0 DCADMM Cc1nsc(NCC2(C(N)=O)CCOCC2)c1-c1nn[n-]n1 ZINC001606159113 1170096842 /nfs/dbraw/zinc/09/68/42/1170096842.db2.gz TVKLCXCFCPKQPA-UHFFFAOYSA-N -1 1 323.382 0.326 20 0 DCADMM Cc1nsc(NCCNC(=O)c2cocn2)c1-c1nn[n-]n1 ZINC001606161433 1170097664 /nfs/dbraw/zinc/09/76/64/1170097664.db2.gz OZAMJIQKZSLKST-UHFFFAOYSA-N -1 1 320.338 0.462 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCn2cncc2C1 ZINC001606167810 1170099750 /nfs/dbraw/zinc/09/97/50/1170099750.db2.gz XSLDEYBXRZQKMP-VIFPVBQESA-N -1 1 313.321 0.709 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCn2cncc2C1 ZINC001606167810 1170099757 /nfs/dbraw/zinc/09/97/57/1170099757.db2.gz XSLDEYBXRZQKMP-VIFPVBQESA-N -1 1 313.321 0.709 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCSCCCO ZINC001606169102 1170100365 /nfs/dbraw/zinc/10/03/65/1170100365.db2.gz MTRBUTUFANTXDM-UHFFFAOYSA-N -1 1 311.367 0.614 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCSCCCO ZINC001606169102 1170100368 /nfs/dbraw/zinc/10/03/68/1170100368.db2.gz MTRBUTUFANTXDM-UHFFFAOYSA-N -1 1 311.367 0.614 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cnc(N(C)C)nc1 ZINC001606169379 1170100482 /nfs/dbraw/zinc/10/04/82/1170100482.db2.gz IHOJBUDQERHGIE-UHFFFAOYSA-N -1 1 314.309 0.876 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cnc(N(C)C)nc1 ZINC001606169379 1170100484 /nfs/dbraw/zinc/10/04/84/1170100484.db2.gz IHOJBUDQERHGIE-UHFFFAOYSA-N -1 1 314.309 0.876 20 0 DCADMM CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001606206664 1170112207 /nfs/dbraw/zinc/11/22/07/1170112207.db2.gz YCCWMVLLAUSIDK-NHYWBVRUSA-N -1 1 310.325 0.595 20 0 DCADMM Cn1c(=O)[nH]c(N[C@@H]2C[C@H]2c2ccco2)c(-c2nn[n-]n2)c1=O ZINC001606205592 1170113034 /nfs/dbraw/zinc/11/30/34/1170113034.db2.gz GYVXWRJYFQXGHA-RNFRBKRXSA-N -1 1 315.293 0.227 20 0 DCADMM CN1C[C@H](OC(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@H]1C(=O)[O-] ZINC001606205956 1170113192 /nfs/dbraw/zinc/11/31/92/1170113192.db2.gz STHSHZLFWPWMBP-NEPJUHHUSA-N -1 1 316.317 0.786 20 0 DCADMM CN1C[C@H]2CCN(S(=O)(=O)c3ccsc3C(=O)[O-])[C@@H]2C1 ZINC001606208786 1170114565 /nfs/dbraw/zinc/11/45/65/1170114565.db2.gz LMDOYPXUQVEWEJ-RKDXNWHRSA-N -1 1 316.404 0.771 20 0 DCADMM Cn1c(COC(=O)c2ccc(-c3nn[n-]n3)o2)nnc1C1CC1 ZINC001606217377 1170117931 /nfs/dbraw/zinc/11/79/31/1170117931.db2.gz FJEHHSRYKXLCQZ-UHFFFAOYSA-N -1 1 315.293 0.823 20 0 DCADMM CN1CC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001606219030 1170119604 /nfs/dbraw/zinc/11/96/04/1170119604.db2.gz QHJIKJXFIGJDGY-GHMZBOCLSA-N -1 1 322.369 0.027 20 0 DCADMM CN1CCN(C(=O)CSCc2cccnc2)C[C@@H](C(=O)[O-])C1 ZINC001606233173 1170128412 /nfs/dbraw/zinc/12/84/12/1170128412.db2.gz HRZCWHDTQWQTLJ-ZDUSSCGKSA-N -1 1 323.418 0.790 20 0 DCADMM CN1CCN(CCN(CC(=O)[O-])C(=O)[C@@H]2CCC2(C)C)CC1 ZINC001606240996 1170132820 /nfs/dbraw/zinc/13/28/20/1170132820.db2.gz IUPZIYAUKAWCGW-ZDUSSCGKSA-N -1 1 311.426 0.583 20 0 DCADMM CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001606277880 1170145945 /nfs/dbraw/zinc/14/59/45/1170145945.db2.gz HEWSTVLFSXADGT-MEDUHNTESA-N -1 1 319.361 0.559 20 0 DCADMM Cn1ncc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)n1 ZINC001606276611 1170145974 /nfs/dbraw/zinc/14/59/74/1170145974.db2.gz VMNNETLWDBCBDB-UHFFFAOYSA-N -1 1 308.309 0.302 20 0 DCADMM CNC(=O)c1[nH]nnc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001606291911 1170150957 /nfs/dbraw/zinc/15/09/57/1170150957.db2.gz AHWQDRJRZAXZDR-UHFFFAOYSA-N -1 1 303.278 0.044 20 0 DCADMM CN[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cnn(C)c1 ZINC001606292904 1170151933 /nfs/dbraw/zinc/15/19/33/1170151933.db2.gz ZQUYNVXAOYWTFH-BXUZGUMPSA-N -1 1 308.382 0.784 20 0 DCADMM NC(=O)[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001606404576 1170187042 /nfs/dbraw/zinc/18/70/42/1170187042.db2.gz BYJYVGHBHRNZFZ-GFCCVEGCSA-N -1 1 324.300 0.645 20 0 DCADMM NC(=O)[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001606404576 1170187046 /nfs/dbraw/zinc/18/70/46/1170187046.db2.gz BYJYVGHBHRNZFZ-GFCCVEGCSA-N -1 1 324.300 0.645 20 0 DCADMM COC(=O)C[C@H](NC(=O)c1cccc2nc(C)[nH]c21)C(=O)[O-] ZINC001606442475 1170203229 /nfs/dbraw/zinc/20/32/29/1170203229.db2.gz UMYBQQUANLMOHP-JTQLQIEISA-N -1 1 305.290 0.617 20 0 DCADMM COC(=O)C[C@@H]1C(=O)NCCN1C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001606446053 1170204255 /nfs/dbraw/zinc/20/42/55/1170204255.db2.gz ADIOYXTTWJAFQT-GRYCIOLGSA-N -1 1 312.366 0.241 20 0 DCADMM Nc1cc2n(n1)CCN(c1nc(Cl)c(-c3nnn[n-]3)s1)C2 ZINC001606450740 1170208255 /nfs/dbraw/zinc/20/82/55/1170208255.db2.gz DRPVGXCIGQRGJN-UHFFFAOYSA-N -1 1 323.773 0.776 20 0 DCADMM Nc1cc2n(n1)CCN(c1nc(Cl)c(-c3nn[n-]n3)s1)C2 ZINC001606450740 1170208261 /nfs/dbraw/zinc/20/82/61/1170208261.db2.gz DRPVGXCIGQRGJN-UHFFFAOYSA-N -1 1 323.773 0.776 20 0 DCADMM Nc1nc(NCCn2cnc(-c3nn[n-]n3)n2)nc2ccccc12 ZINC001606456335 1170212192 /nfs/dbraw/zinc/21/21/92/1170212192.db2.gz HJWFFCMMZIKDKC-UHFFFAOYSA-N -1 1 323.324 0.096 20 0 DCADMM O=C([C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)N1CCCC1 ZINC001606475145 1170217277 /nfs/dbraw/zinc/21/72/77/1170217277.db2.gz KOPQSFKFUYILGV-SNVBAGLBSA-N -1 1 314.353 0.105 20 0 DCADMM O=C([C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)N1CCCC1 ZINC001606475145 1170217283 /nfs/dbraw/zinc/21/72/83/1170217283.db2.gz KOPQSFKFUYILGV-SNVBAGLBSA-N -1 1 314.353 0.105 20 0 DCADMM O=C(CNC(=O)c1ccsc1-c1nnn[n-]1)NC1CCCC1 ZINC001606552806 1170231597 /nfs/dbraw/zinc/23/15/97/1170231597.db2.gz ZVHVEUGXHFBBLN-UHFFFAOYSA-N -1 1 320.378 0.717 20 0 DCADMM O=C(CNC(=O)c1ccsc1-c1nn[n-]n1)NC1CCCC1 ZINC001606552806 1170231604 /nfs/dbraw/zinc/23/16/04/1170231604.db2.gz ZVHVEUGXHFBBLN-UHFFFAOYSA-N -1 1 320.378 0.717 20 0 DCADMM COC(=O)c1cccc([C@H](C(=O)[O-])N2CCCN(C=O)CC2)c1 ZINC001606613657 1170241899 /nfs/dbraw/zinc/24/18/99/1170241899.db2.gz YQPSUGBYEFQRGF-CQSZACIVSA-N -1 1 320.345 0.763 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)NC1CCCCCCC1 ZINC001606617188 1170243808 /nfs/dbraw/zinc/24/38/08/1170243808.db2.gz FZOSNWTZHJCCOE-UHFFFAOYSA-N -1 1 304.358 0.687 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1CCC=CCC1 ZINC001606620156 1170244784 /nfs/dbraw/zinc/24/47/84/1170244784.db2.gz FOICGRLOYKKDJG-UHFFFAOYSA-N -1 1 302.342 0.321 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC001606620082 1170245710 /nfs/dbraw/zinc/24/57/10/1170245710.db2.gz AFQPQOOQOWMSFF-WDEREUQCSA-N -1 1 316.369 0.401 20 0 DCADMM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606688742 1170262161 /nfs/dbraw/zinc/26/21/61/1170262161.db2.gz LNZFTIJGHIGHET-CABZTGNLSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606688742 1170262168 /nfs/dbraw/zinc/26/21/68/1170262168.db2.gz LNZFTIJGHIGHET-CABZTGNLSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606689180 1170262803 /nfs/dbraw/zinc/26/28/03/1170262803.db2.gz OYMVEWYVSBOYRV-JQWIXIFHSA-N -1 1 300.322 0.559 20 0 DCADMM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606689180 1170262808 /nfs/dbraw/zinc/26/28/08/1170262808.db2.gz OYMVEWYVSBOYRV-JQWIXIFHSA-N -1 1 300.322 0.559 20 0 DCADMM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc(F)cc3nn[nH]c32)C1 ZINC001606700744 1170266595 /nfs/dbraw/zinc/26/65/95/1170266595.db2.gz QJBYMFCOWYCIHK-CYBMUJFWSA-N -1 1 308.269 0.413 20 0 DCADMM COC1([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3n[n-]c(=O)o3)C2)CCC1 ZINC001606709165 1170271249 /nfs/dbraw/zinc/27/12/49/1170271249.db2.gz VOOGAFSPKATQDF-ZJUUUORDSA-N -1 1 311.338 0.977 20 0 DCADMM O=C(NCC1=CCCOC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606716392 1170272330 /nfs/dbraw/zinc/27/23/30/1170272330.db2.gz UBCBDCNQRVPCAN-UHFFFAOYSA-N -1 1 301.310 0.730 20 0 DCADMM O=C(NCC1=CCCOC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606716392 1170272334 /nfs/dbraw/zinc/27/23/34/1170272334.db2.gz UBCBDCNQRVPCAN-UHFFFAOYSA-N -1 1 301.310 0.730 20 0 DCADMM O=C(NCC[C@@H](O)C(F)(F)F)c1ccsc1-c1nnn[n-]1 ZINC001606753227 1170278810 /nfs/dbraw/zinc/27/88/10/1170278810.db2.gz TWKVEGZEDFLHIE-ZCFIWIBFSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(NCC[C@@H](O)C(F)(F)F)c1ccsc1-c1nn[n-]n1 ZINC001606753227 1170278813 /nfs/dbraw/zinc/27/88/13/1170278813.db2.gz TWKVEGZEDFLHIE-ZCFIWIBFSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(NCc1cn(C2CCC2)nn1)c1ccc(-c2nnn[n-]2)o1 ZINC001606841964 1170309210 /nfs/dbraw/zinc/30/92/10/1170309210.db2.gz ZGAVVNUAFFIXIM-UHFFFAOYSA-N -1 1 314.309 0.706 20 0 DCADMM O=C(NCc1cn(C2CCC2)nn1)c1ccc(-c2nn[n-]n2)o1 ZINC001606841964 1170309217 /nfs/dbraw/zinc/30/92/17/1170309217.db2.gz ZGAVVNUAFFIXIM-UHFFFAOYSA-N -1 1 314.309 0.706 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)C1=C[S@@](=O)CCC1 ZINC001606844208 1170311590 /nfs/dbraw/zinc/31/15/90/1170311590.db2.gz BSGVRGABRAGBIY-NRFANRHFSA-N -1 1 324.391 0.366 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)C1=C[S@@](=O)CCC1 ZINC001606844208 1170311594 /nfs/dbraw/zinc/31/15/94/1170311594.db2.gz BSGVRGABRAGBIY-NRFANRHFSA-N -1 1 324.391 0.366 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc(F)nc1 ZINC001606843940 1170312057 /nfs/dbraw/zinc/31/20/57/1170312057.db2.gz HEVIDXVIJAWXSL-UHFFFAOYSA-N -1 1 305.298 0.787 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc(F)nc1 ZINC001606843940 1170312062 /nfs/dbraw/zinc/31/20/62/1170312062.db2.gz HEVIDXVIJAWXSL-UHFFFAOYSA-N -1 1 305.298 0.787 20 0 DCADMM COC[C@H]1CNCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001606848797 1170313169 /nfs/dbraw/zinc/31/31/69/1170313169.db2.gz VLZFXEFAPCJXNK-GFCCVEGCSA-N -1 1 323.349 0.602 20 0 DCADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC001606892434 1170323233 /nfs/dbraw/zinc/32/32/33/1170323233.db2.gz JWHIFFOSRYKBOS-RNSXUZJQSA-N -1 1 315.337 0.831 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ncoc1C(F)(F)F ZINC001606893145 1170323474 /nfs/dbraw/zinc/32/34/74/1170323474.db2.gz HHXFEUWJHHCWLU-UHFFFAOYSA-N -1 1 314.187 0.849 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1OCCc2ccccc21 ZINC001606892635 1170324681 /nfs/dbraw/zinc/32/46/81/1170324681.db2.gz SALLLQSNTYQJDM-LLVKDONJSA-N -1 1 311.305 0.842 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1OCCc2ccccc21 ZINC001606892635 1170324689 /nfs/dbraw/zinc/32/46/89/1170324689.db2.gz SALLLQSNTYQJDM-LLVKDONJSA-N -1 1 311.305 0.842 20 0 DCADMM COC[C@H](N)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001606937996 1170334436 /nfs/dbraw/zinc/33/44/36/1170334436.db2.gz XBYMWGRNMJBIRZ-VIFPVBQESA-N -1 1 313.379 0.521 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1Cc2cc(F)ccc2O1 ZINC001606946132 1170335593 /nfs/dbraw/zinc/33/55/93/1170335593.db2.gz WBYLKJPZHAXONY-JTQLQIEISA-N -1 1 315.268 0.671 20 0 DCADMM O=C(OCCCN1CCOC1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001606968196 1170341828 /nfs/dbraw/zinc/34/18/28/1170341828.db2.gz ICSDUVVFDIDSHL-UHFFFAOYSA-N -1 1 307.266 0.459 20 0 DCADMM O=C(OCCO[C@H]1CC1(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001606969425 1170342238 /nfs/dbraw/zinc/34/22/38/1170342238.db2.gz 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ZINC001607022157 1170358879 /nfs/dbraw/zinc/35/88/79/1170358879.db2.gz GIBBPPLYYAFVRL-UHFFFAOYSA-N -1 1 316.296 0.410 20 0 DCADMM O=C1NCCC[C@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001607053161 1170372111 /nfs/dbraw/zinc/37/21/11/1170372111.db2.gz YARKXCIOTYRWPL-YFKPBYRVSA-N -1 1 313.774 0.915 20 0 DCADMM O=S(=O)(CCCF)Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001607057247 1170373726 /nfs/dbraw/zinc/37/37/26/1170373726.db2.gz DZKKWYQNDXZJRI-UHFFFAOYSA-N -1 1 305.266 0.469 20 0 DCADMM O=S(=O)(NC[C@]12C[C@H]1CCC2)c1cccnc1-c1nn[n-]n1 ZINC001607066764 1170377682 /nfs/dbraw/zinc/37/76/82/1170377682.db2.gz XDQPUYQDJYKSDX-RNCFNFMXSA-N -1 1 320.378 0.730 20 0 DCADMM O=S1(=O)CCON(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001607076736 1170382359 /nfs/dbraw/zinc/38/23/59/1170382359.db2.gz UQDHVFBHCPJJLF-UHFFFAOYSA-N -1 1 315.380 0.090 20 0 DCADMM O=c1c(-c2nn[n-]n2)cc2c(n1CCOCC(F)F)CCC2 ZINC001607089512 1170387973 /nfs/dbraw/zinc/38/79/73/1170387973.db2.gz XLCDMSSOXONFGD-UHFFFAOYSA-N -1 1 311.292 0.799 20 0 DCADMM O=c1cc(Cn2cccc(-c3nn[n-]n3)c2=O)nc(C2CC2)[nH]1 ZINC001607092487 1170388316 /nfs/dbraw/zinc/38/83/16/1170388316.db2.gz VYCNFGDJFQZNIR-UHFFFAOYSA-N -1 1 311.305 0.450 20 0 DCADMM O[C@@H]1c2ccccc2OC[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001607099004 1170395410 /nfs/dbraw/zinc/39/54/10/1170395410.db2.gz CKEAKPKAZWRUHD-GXFFZTMASA-N -1 1 311.305 0.563 20 0 DCADMM O[C@@H]1c2ccccc2OC[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001607099004 1170395418 /nfs/dbraw/zinc/39/54/18/1170395418.db2.gz CKEAKPKAZWRUHD-GXFFZTMASA-N -1 1 311.305 0.563 20 0 DCADMM OC[C@H](CNc1cncc(-c2nnn[n-]2)n1)Cc1ccco1 ZINC001607102316 1170396092 /nfs/dbraw/zinc/39/60/92/1170396092.db2.gz ANZAJZGCZMUUBH-VIFPVBQESA-N -1 1 301.310 0.513 20 0 DCADMM OC[C@H](CNc1cncc(-c2nn[n-]n2)n1)Cc1ccco1 ZINC001607102316 1170396097 /nfs/dbraw/zinc/39/60/97/1170396097.db2.gz ANZAJZGCZMUUBH-VIFPVBQESA-N -1 1 301.310 0.513 20 0 DCADMM OCC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCOCC1 ZINC001607107221 1170399903 /nfs/dbraw/zinc/39/99/03/1170399903.db2.gz PERPATAKJYTBQZ-SNVBAGLBSA-N -1 1 305.342 0.246 20 0 DCADMM OCC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCOCC1 ZINC001607107221 1170399907 /nfs/dbraw/zinc/39/99/07/1170399907.db2.gz PERPATAKJYTBQZ-SNVBAGLBSA-N -1 1 305.342 0.246 20 0 DCADMM OC[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001607107452 1170401153 /nfs/dbraw/zinc/40/11/53/1170401153.db2.gz UYHFCWCVOHENNG-WDSKDSINSA-N -1 1 316.774 0.156 20 0 DCADMM OC[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001607107452 1170401154 /nfs/dbraw/zinc/40/11/54/1170401154.db2.gz UYHFCWCVOHENNG-WDSKDSINSA-N -1 1 316.774 0.156 20 0 DCADMM c1cc(N2CCn3c(CC4CC4)nnc3C2)nnc1-c1nnn[n-]1 ZINC001607119750 1170404966 /nfs/dbraw/zinc/40/49/66/1170404966.db2.gz JPRDYWDQGQIZQW-UHFFFAOYSA-N -1 1 324.352 0.221 20 0 DCADMM c1cc(N2CCn3c(CC4CC4)nnc3C2)nnc1-c1nn[n-]n1 ZINC001607119750 1170404970 /nfs/dbraw/zinc/40/49/70/1170404970.db2.gz JPRDYWDQGQIZQW-UHFFFAOYSA-N -1 1 324.352 0.221 20 0 DCADMM c1ccn2c(c1)nnc2CCNc1cccnc1-c1nnn[n-]1 ZINC001607134040 1170407479 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ZINC001609477496 1170992475 /nfs/dbraw/zinc/99/24/75/1170992475.db2.gz BXWQXMWEWNIHIS-MRVPVSSYSA-N -1 1 322.398 0.865 20 0 DCADMM FC(F)CN1CCCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001609486474 1170995471 /nfs/dbraw/zinc/99/54/71/1170995471.db2.gz URVUJNXHMNGXRH-UHFFFAOYSA-N -1 1 310.312 0.434 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(C(F)(F)F)cn1 ZINC001609510534 1171005315 /nfs/dbraw/zinc/00/53/15/1171005315.db2.gz QIZIDTGGLCEPRE-UHFFFAOYSA-N -1 1 324.226 0.748 20 0 DCADMM O=C(CC[C@@H]1CCCCO1)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609521821 1171008023 /nfs/dbraw/zinc/00/80/23/1171008023.db2.gz OUAHFGFDPNSTLK-LBPRGKRZSA-N -1 1 317.349 0.947 20 0 DCADMM O=C(C=C1CCSCC1)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609516944 1171008340 /nfs/dbraw/zinc/00/83/40/1171008340.db2.gz OZAZPKORRWJVBN-UHFFFAOYSA-N -1 1 320.382 0.028 20 0 DCADMM O=C(N[C@H]1CCc2n[nH]cc2C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609543562 1171013880 /nfs/dbraw/zinc/01/38/80/1171013880.db2.gz SSPAGJSWQCHSNN-JTQLQIEISA-N -1 1 310.321 0.272 20 0 DCADMM O=C(N[C@@H](CO)C1CCCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609538915 1171014345 /nfs/dbraw/zinc/01/43/45/1171014345.db2.gz IVGRFZFZXSEDIQ-ZDUSSCGKSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(N[C@@H](CO)C1CCCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609538915 1171014351 /nfs/dbraw/zinc/01/43/51/1171014351.db2.gz IVGRFZFZXSEDIQ-ZDUSSCGKSA-N -1 1 316.365 0.933 20 0 DCADMM O=C(NCC1(O)CCCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609545290 1171017243 /nfs/dbraw/zinc/01/72/43/1171017243.db2.gz UYAZGSFTLPPOFX-UHFFFAOYSA-N -1 1 303.326 0.688 20 0 DCADMM O=C(NCC1(O)CCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609545290 1171017249 /nfs/dbraw/zinc/01/72/49/1171017249.db2.gz UYAZGSFTLPPOFX-UHFFFAOYSA-N -1 1 303.326 0.688 20 0 DCADMM O=C(O[C@H]1CCN(CCF)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609572656 1171026143 /nfs/dbraw/zinc/02/61/43/1171026143.db2.gz HDQNSAUVMNXREP-JTQLQIEISA-N -1 1 306.301 0.462 20 0 DCADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1cn2c(n1)CCC2 ZINC001609578512 1171027113 /nfs/dbraw/zinc/02/71/13/1171027113.db2.gz MGTHTJZGOAHLCX-UHFFFAOYSA-N -1 1 317.334 0.823 20 0 DCADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)c1cn2c(n1)CCC2 ZINC001609578512 1171027117 /nfs/dbraw/zinc/02/71/17/1171027117.db2.gz MGTHTJZGOAHLCX-UHFFFAOYSA-N -1 1 317.334 0.823 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCOC[C@@H]1c1ncon1 ZINC001609582240 1171030239 /nfs/dbraw/zinc/03/02/39/1171030239.db2.gz TWZZUIDEVIMORJ-SSDOTTSWSA-N -1 1 317.265 0.056 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCOC[C@@H]1c1ncon1 ZINC001609582240 1171030244 /nfs/dbraw/zinc/03/02/44/1171030244.db2.gz TWZZUIDEVIMORJ-SSDOTTSWSA-N -1 1 317.265 0.056 20 0 DCADMM O=C1CN(c2cnc(-c3nnn[n-]3)cn2)CN1Cc1ccccc1 ZINC001609589044 1171032244 /nfs/dbraw/zinc/03/22/44/1171032244.db2.gz BLNILJOUIOTCKW-UHFFFAOYSA-N -1 1 322.332 0.463 20 0 DCADMM O=C1CN(c2cnc(-c3nn[n-]n3)cn2)CN1Cc1ccccc1 ZINC001609589044 1171032249 /nfs/dbraw/zinc/03/22/49/1171032249.db2.gz BLNILJOUIOTCKW-UHFFFAOYSA-N -1 1 322.332 0.463 20 0 DCADMM O=S1(=O)CC[C@H](COc2ccc(F)nc2-c2nnn[n-]2)C1 ZINC001609599061 1171036246 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OC[C@@H]([C@H](Nc1ccnc(-c2nnn[n-]2)c1)C1CC1)C1CC1 ZINC001609608451 1171043360 /nfs/dbraw/zinc/04/33/60/1171043360.db2.gz KPBBXRPDPQBTJE-TZMCWYRMSA-N -1 1 300.366 0.893 20 0 DCADMM OC[C@@H]([C@H](Nc1ccnc(-c2nn[n-]n2)c1)C1CC1)C1CC1 ZINC001609608451 1171043368 /nfs/dbraw/zinc/04/33/68/1171043368.db2.gz KPBBXRPDPQBTJE-TZMCWYRMSA-N -1 1 300.366 0.893 20 0 DCADMM CC(C)[C@@]1(C2CC2)NC(=O)N(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)C1=O ZINC001609689245 1171067355 /nfs/dbraw/zinc/06/73/55/1171067355.db2.gz XAMCEIAAHKWJAX-SIVJFFJCSA-N -1 1 323.393 0.953 20 0 DCADMM C[C@@H](Oc1ccccn1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001609804425 1171090102 /nfs/dbraw/zinc/09/01/02/1171090102.db2.gz MKXZKJSKSWNJFV-CHWSQXEVSA-N -1 1 321.377 0.856 20 0 DCADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)COc1ccc(O)cc1 ZINC001609866000 1171108591 /nfs/dbraw/zinc/10/85/91/1171108591.db2.gz BJUXEEJXOGYJTG-LBPRGKRZSA-N -1 1 322.361 0.778 20 0 DCADMM C[C@@H]1CN(CCO)CCN1CCOc1cccc(C(=O)[O-])c1 ZINC001609873144 1171111063 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O=C([O-])c1cc(N2C(=O)N[C@@H](Cc3cnc[nH]3)C2=O)ccc1F ZINC001610815605 1171332234 /nfs/dbraw/zinc/33/22/34/1171332234.db2.gz YDWSJPAPTKCAOL-NSHDSACASA-N -1 1 318.264 0.915 20 0 DCADMM O=C([O-])c1cc(S(=O)(=O)NCCN2CCCC2)ccc1O ZINC000013311600 1171370564 /nfs/dbraw/zinc/37/05/64/1171370564.db2.gz XCBALEJNJDCSHC-UHFFFAOYSA-N -1 1 314.363 0.465 20 0 DCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001624454293 1171455609 /nfs/dbraw/zinc/45/56/09/1171455609.db2.gz PHWGHSJDVXDHHD-OCCSQVGLSA-N -1 1 303.362 0.574 20 0 DCADMM CCS(=O)(=O)C[C@H](C)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001629006328 1171539736 /nfs/dbraw/zinc/53/97/36/1171539736.db2.gz ONWYDNIVSFMWJD-LURJTMIESA-N -1 1 319.408 0.332 20 0 DCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CCCn2ncnc21 ZINC001630783956 1171581285 /nfs/dbraw/zinc/58/12/85/1171581285.db2.gz VQICWRZFCQLWFS-VXGBXAGGSA-N -1 1 324.348 0.574 20 0 DCADMM COc1ccccc1C(=O)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001632652161 1171622139 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O=C(CCn1cc[n-]c(=O)c1=O)N1CCCC[C@H]1c1ncon1 ZINC001318692534 945426426 /nfs/dbraw/zinc/42/64/26/945426426.db2.gz OTCYZYHURWRHLL-JTQLQIEISA-N -1 1 319.321 0.064 20 0 DCADMM C[S@@](=O)CCCNC(=S)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001246666139 945456038 /nfs/dbraw/zinc/45/60/38/945456038.db2.gz PTEVSJLCQXTHCC-HXUWFJFHSA-N -1 1 314.396 0.114 20 0 DCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCNc1cnccn1 ZINC001319056757 945488932 /nfs/dbraw/zinc/48/89/32/945488932.db2.gz DXQVJTWVZNNXBC-UHFFFAOYSA-N -1 1 320.378 0.844 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N2CCS[C@H](C)[C@@H]2C)[n-]n1 ZINC001364781440 945635041 /nfs/dbraw/zinc/63/50/41/945635041.db2.gz YPJIERSKGZPRBH-JGVFFNPUSA-N -1 1 319.408 0.711 20 0 DCADMM COC(=O)c1cc(S(=O)(=O)N2CCS[C@H](C)[C@@H]2C)n[n-]1 ZINC001364781440 945635045 /nfs/dbraw/zinc/63/50/45/945635045.db2.gz YPJIERSKGZPRBH-JGVFFNPUSA-N -1 1 319.408 0.711 20 0 DCADMM CCC(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC001410022975 945728094 /nfs/dbraw/zinc/72/80/94/945728094.db2.gz 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/nfs/dbraw/zinc/98/83/78/945988378.db2.gz SDLYSOVOHWZVFM-UHFFFAOYSA-N -1 1 324.410 0.836 20 0 DCADMM COc1ccc(OC[C@@H](O)CNCC(=O)CCC(=O)[O-])cc1 ZINC001252742856 945998350 /nfs/dbraw/zinc/99/83/50/945998350.db2.gz ZJHHZTXZHMTWGW-LBPRGKRZSA-N -1 1 311.334 0.458 20 0 DCADMM CCN(CC)C(=O)CNCC=CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001321033318 946129682 /nfs/dbraw/zinc/12/96/82/946129682.db2.gz WELGKYVHQNALSW-SREVYHEPSA-N -1 1 323.397 0.168 20 0 DCADMM C[C@@H](CNC(=O)c1cncnc1)CNC(=O)c1ncccc1[O-] ZINC001432960069 1013064963 /nfs/dbraw/zinc/06/49/63/1013064963.db2.gz BZSAJIJOHSQWIH-JTQLQIEISA-N -1 1 315.333 0.373 20 0 DCADMM CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573489099 946285580 /nfs/dbraw/zinc/28/55/80/946285580.db2.gz XJNKAEMEUOKESV-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573489099 946285586 /nfs/dbraw/zinc/28/55/86/946285586.db2.gz XJNKAEMEUOKESV-UHFFFAOYSA-N -1 1 316.369 0.908 20 0 DCADMM CC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001573497963 946358529 /nfs/dbraw/zinc/35/85/29/946358529.db2.gz WRQMVRFWUJWGCS-KOLCDFICSA-N -1 1 316.369 0.459 20 0 DCADMM CC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573497963 946358535 /nfs/dbraw/zinc/35/85/35/946358535.db2.gz WRQMVRFWUJWGCS-KOLCDFICSA-N -1 1 316.369 0.459 20 0 DCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC001364872321 946366014 /nfs/dbraw/zinc/36/60/14/946366014.db2.gz DOVYIVWQRLSFIG-HTQZYQBOSA-N -1 1 305.331 0.755 20 0 DCADMM C[C@@H](CNC(=O)c1cocn1)CNC(=O)c1ncccc1[O-] ZINC001432960792 1013065748 /nfs/dbraw/zinc/06/57/48/1013065748.db2.gz XMKGGGSYPYSDHG-VIFPVBQESA-N -1 1 304.306 0.571 20 0 DCADMM CC(C)(O)CC(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001410547659 946546527 /nfs/dbraw/zinc/54/65/27/946546527.db2.gz IFEDZACCLPZVCA-JTQLQIEISA-N -1 1 307.350 0.279 20 0 DCADMM C[S@@](=O)c1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC001322109051 946579829 /nfs/dbraw/zinc/57/98/29/946579829.db2.gz 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CC(=O)CCCC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001410808627 946966322 /nfs/dbraw/zinc/96/63/22/946966322.db2.gz VKPSZNXXBPNZMZ-WDEREUQCSA-N -1 1 309.370 0.349 20 0 DCADMM NC(=O)c1ncc([N-]S(=O)(=O)CCc2ccccc2)cn1 ZINC001259732615 946979253 /nfs/dbraw/zinc/97/92/53/946979253.db2.gz BVVLXEASQZKEQX-UHFFFAOYSA-N -1 1 306.347 0.560 20 0 DCADMM O=S(=O)([N-]c1cc(N2CCOCC2)ncn1)C1CCCC1 ZINC001259793589 946984854 /nfs/dbraw/zinc/98/48/54/946984854.db2.gz GDVBOIAFMRFMGK-UHFFFAOYSA-N -1 1 312.395 0.998 20 0 DCADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@]2(C)CC=CCC2)nc1=O ZINC001323241449 946992064 /nfs/dbraw/zinc/99/20/64/946992064.db2.gz IFUFGACOLNNUQA-BLLLJJGKSA-N -1 1 319.409 0.545 20 0 DCADMM O=C(c1cccnc1)N1CC[C@@H]([N-]S(=O)(=O)C(F)F)C1 ZINC001259963956 947040985 /nfs/dbraw/zinc/04/09/85/947040985.db2.gz UVIKPBJTXMIDMG-SECBINFHSA-N -1 1 305.306 0.438 20 0 DCADMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)CN1 ZINC001260204880 947083600 /nfs/dbraw/zinc/08/36/00/947083600.db2.gz 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CC(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573433805 948206176 /nfs/dbraw/zinc/20/61/76/948206176.db2.gz NVVYHVQQIYFIIC-GXSJLCMTSA-N -1 1 316.369 0.634 20 0 DCADMM CC(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573433805 948206183 /nfs/dbraw/zinc/20/61/83/948206183.db2.gz NVVYHVQQIYFIIC-GXSJLCMTSA-N -1 1 316.369 0.634 20 0 DCADMM CC(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573434692 948217182 /nfs/dbraw/zinc/21/71/82/948217182.db2.gz SICMBSIUABUWOM-KOLCDFICSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573434692 948217194 /nfs/dbraw/zinc/21/71/94/948217194.db2.gz SICMBSIUABUWOM-KOLCDFICSA-N -1 1 316.369 0.573 20 0 DCADMM CC(=O)NCCN(Cc1ccc(Cl)nn1)[C@@H](C)C(=O)[O-] ZINC001602758308 971476687 /nfs/dbraw/zinc/47/66/87/971476687.db2.gz BFMWTCIMERBHDZ-QMMMGPOBSA-N -1 1 300.746 0.541 20 0 DCADMM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ncccc1[O-])C1CC1 ZINC001488015402 948443867 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CNC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001570932373 948858428 /nfs/dbraw/zinc/85/84/28/948858428.db2.gz SIPHHXAXKAOMHJ-SSDOTTSWSA-N -1 1 321.366 0.072 20 0 DCADMM CNC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001570932373 948858448 /nfs/dbraw/zinc/85/84/48/948858448.db2.gz SIPHHXAXKAOMHJ-SSDOTTSWSA-N -1 1 321.366 0.072 20 0 DCADMM CNC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001570932374 948859232 /nfs/dbraw/zinc/85/92/32/948859232.db2.gz SIPHHXAXKAOMHJ-ZETCQYMHSA-N -1 1 321.366 0.072 20 0 DCADMM CNC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001570932374 948859250 /nfs/dbraw/zinc/85/92/50/948859250.db2.gz SIPHHXAXKAOMHJ-ZETCQYMHSA-N -1 1 321.366 0.072 20 0 DCADMM CC1=NO[C@H](CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001570932680 948861667 /nfs/dbraw/zinc/86/16/67/948861667.db2.gz WEBLOVTWNWSNEL-QMMMGPOBSA-N -1 1 321.366 0.892 20 0 DCADMM CC[C@H](NCCS(=O)(=O)CC(=O)[O-])c1c(C)nn(C)c1C ZINC001589569052 948895277 /nfs/dbraw/zinc/89/52/77/948895277.db2.gz 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ZINC001575252437 949163090 /nfs/dbraw/zinc/16/30/90/949163090.db2.gz QIINZXFRVWIETL-HTQZYQBOSA-N -1 1 322.348 0.710 20 0 DCADMM C[C@@H](NC(=O)C(C)(C)F)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575252437 949163082 /nfs/dbraw/zinc/16/30/82/949163082.db2.gz QIINZXFRVWIETL-HTQZYQBOSA-N -1 1 322.348 0.710 20 0 DCADMM O=C([O-])c1ccc(C(=O)NCc2nnc([C@H]3CCOC3)[nH]2)nc1 ZINC001595221059 949249648 /nfs/dbraw/zinc/24/96/48/949249648.db2.gz UXWAQXQISVTCLW-VIFPVBQESA-N -1 1 317.305 0.332 20 0 DCADMM O=C([O-])c1ccc(C(=O)NCc2n[nH]c([C@H]3CCOC3)n2)nc1 ZINC001595221059 949249666 /nfs/dbraw/zinc/24/96/66/949249666.db2.gz UXWAQXQISVTCLW-VIFPVBQESA-N -1 1 317.305 0.332 20 0 DCADMM Cc1nc(C)c(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)s1 ZINC001364485293 949403836 /nfs/dbraw/zinc/40/38/36/949403836.db2.gz OXAPOSUUYOOURE-UHFFFAOYSA-N -1 1 315.380 0.463 20 0 DCADMM Cc1nc(C)c(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)s1 ZINC001364485293 949403846 /nfs/dbraw/zinc/40/38/46/949403846.db2.gz OXAPOSUUYOOURE-UHFFFAOYSA-N -1 1 315.380 0.463 20 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COc1ncccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737163653 598987845 /nfs/dbraw/zinc/98/78/45/598987845.db2.gz LMQMFSZWBYEDEE-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM COc1ncccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737163653 598987847 /nfs/dbraw/zinc/98/78/47/598987847.db2.gz LMQMFSZWBYEDEE-UHFFFAOYSA-N -1 1 311.305 0.595 20 0 DCADMM NC(=O)CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC000737746673 598993286 /nfs/dbraw/zinc/99/32/86/598993286.db2.gz KMTYKFUGQFEHJG-UHFFFAOYSA-N -1 1 315.337 0.132 20 0 DCADMM NC(=O)CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC000737746673 598993288 /nfs/dbraw/zinc/99/32/88/598993288.db2.gz KMTYKFUGQFEHJG-UHFFFAOYSA-N -1 1 315.337 0.132 20 0 DCADMM O=C(Nc1ccc(Cl)nn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738162345 599001796 /nfs/dbraw/zinc/00/17/96/599001796.db2.gz BGUMGJMJUQSEMA-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1ccc(Cl)nn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738162345 599001798 /nfs/dbraw/zinc/00/17/98/599001798.db2.gz BGUMGJMJUQSEMA-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C(N)=O ZINC000737361128 599002378 /nfs/dbraw/zinc/00/23/78/599002378.db2.gz TVMXMHYOLRUTMB-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C(N)=O ZINC000737361128 599002379 /nfs/dbraw/zinc/00/23/79/599002379.db2.gz TVMXMHYOLRUTMB-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1C(N)=O ZINC000737276071 599003179 /nfs/dbraw/zinc/00/31/79/599003179.db2.gz XZHRPHVMHXCICV-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1C(N)=O ZINC000737276071 599003181 /nfs/dbraw/zinc/00/31/81/599003181.db2.gz XZHRPHVMHXCICV-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737513472 599006075 /nfs/dbraw/zinc/00/60/75/599006075.db2.gz OUAIWLCIDFWTJU-MRVPVSSYSA-N -1 1 312.337 0.795 20 0 DCADMM Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737513472 599006077 /nfs/dbraw/zinc/00/60/77/599006077.db2.gz OUAIWLCIDFWTJU-MRVPVSSYSA-N -1 1 312.337 0.795 20 0 DCADMM COC(=O)CCCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736911910 599025563 /nfs/dbraw/zinc/02/55/63/599025563.db2.gz MNXMUGCACRLEFO-UHFFFAOYSA-N -1 1 304.310 0.335 20 0 DCADMM COC(=O)CCCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736911910 599025565 /nfs/dbraw/zinc/02/55/65/599025565.db2.gz MNXMUGCACRLEFO-UHFFFAOYSA-N -1 1 304.310 0.335 20 0 DCADMM CC(C)N1C(=O)CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC000820127526 599082175 /nfs/dbraw/zinc/08/21/75/599082175.db2.gz JBCUHZZCHRFXKH-UHFFFAOYSA-N -1 1 316.369 0.492 20 0 DCADMM CC(C)N1C(=O)CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC000820127526 599082178 /nfs/dbraw/zinc/08/21/78/599082178.db2.gz JBCUHZZCHRFXKH-UHFFFAOYSA-N -1 1 316.369 0.492 20 0 DCADMM O=C(NC[C@H](O)c1ccco1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738042155 599106806 /nfs/dbraw/zinc/10/68/06/599106806.db2.gz VXCBABMTYVHUOK-JTQLQIEISA-N -1 1 300.278 0.318 20 0 DCADMM O=C(NC[C@H](O)c1ccco1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738042155 599106808 /nfs/dbraw/zinc/10/68/08/599106808.db2.gz VXCBABMTYVHUOK-JTQLQIEISA-N -1 1 300.278 0.318 20 0 DCADMM Cn1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737609840 599135245 /nfs/dbraw/zinc/13/52/45/599135245.db2.gz KNUCWEPSOQUNPW-UHFFFAOYSA-N -1 1 312.289 0.640 20 0 DCADMM Cn1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737609840 599135248 /nfs/dbraw/zinc/13/52/48/599135248.db2.gz KNUCWEPSOQUNPW-UHFFFAOYSA-N -1 1 312.289 0.640 20 0 DCADMM CC(C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735885169 599142546 /nfs/dbraw/zinc/14/25/46/599142546.db2.gz UKFMRTOGISWTPF-MRVPVSSYSA-N -1 1 304.310 0.332 20 0 DCADMM CC(C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735885169 599142548 /nfs/dbraw/zinc/14/25/48/599142548.db2.gz UKFMRTOGISWTPF-MRVPVSSYSA-N -1 1 304.310 0.332 20 0 DCADMM COC[C@@H](C)NC(=O)NC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000818533738 597068351 /nfs/dbraw/zinc/06/83/51/597068351.db2.gz NZZJIENPOVLABT-GHMZBOCLSA-N -1 1 315.370 0.034 20 0 DCADMM O=C([O-])CCNC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000819484510 597214972 /nfs/dbraw/zinc/21/49/72/597214972.db2.gz KKAJWLYPQVJSGP-UHFFFAOYSA-N -1 1 306.366 0.820 20 0 DCADMM Cc1cnc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000737446209 599250323 /nfs/dbraw/zinc/25/03/23/599250323.db2.gz NHKSHWKZXXIUTF-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1cnc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000737446209 599250325 /nfs/dbraw/zinc/25/03/25/599250325.db2.gz NHKSHWKZXXIUTF-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM O=C([O-])[C@@H]1CC(C(=O)NCc2c[nH]nn2)=NN1c1ccccc1 ZINC000819181603 597485209 /nfs/dbraw/zinc/48/52/09/597485209.db2.gz JZUIUIXTZMACSU-LBPRGKRZSA-N -1 1 314.305 0.140 20 0 DCADMM CC(C)CN1CCO[C@H](CNC(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000817872103 597506093 /nfs/dbraw/zinc/50/60/93/597506093.db2.gz UBOHJZRPTNRNRW-QWHCGFSZSA-N -1 1 313.398 0.459 20 0 DCADMM CC(=O)NCCN(Cc1cnc2ccccn12)[C@H](C)C(=O)[O-] ZINC000819780464 597681391 /nfs/dbraw/zinc/68/13/91/597681391.db2.gz IGZAMUWZKDQORL-LLVKDONJSA-N -1 1 304.350 0.746 20 0 DCADMM C[C@H](NCC(=O)NCC(=O)[O-])c1ccc(N2CCCC2=O)cc1 ZINC000820142637 597808923 /nfs/dbraw/zinc/80/89/23/597808923.db2.gz YOBULRGHXUNLDZ-NSHDSACASA-N -1 1 319.361 0.665 20 0 DCADMM O=C([O-])c1cccc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)c1 ZINC000821547175 598153935 /nfs/dbraw/zinc/15/39/35/598153935.db2.gz BSNDKVGFSXPTPK-LLVKDONJSA-N -1 1 301.306 0.918 20 0 DCADMM Cn1c(Cn2cccc(-c3nn[n-]n3)c2=O)nc2ccccc21 ZINC000737594245 598283585 /nfs/dbraw/zinc/28/35/85/598283585.db2.gz XHOJAAWUEQQMKR-UHFFFAOYSA-N -1 1 307.317 0.963 20 0 DCADMM Cc1n[n-]cc1S(=O)(=O)Oc1cccc(-c2nn[nH]n2)c1 ZINC000737201674 598710051 /nfs/dbraw/zinc/71/00/51/598710051.db2.gz GMQHTNQJLLIIHI-UHFFFAOYSA-N -1 1 306.307 0.666 20 0 DCADMM O=S(=O)(N[C@H]1CCSC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573057 599368252 /nfs/dbraw/zinc/36/82/52/599368252.db2.gz RFDGRHNAKWZHRG-ZETCQYMHSA-N -1 1 312.380 0.046 20 0 DCADMM O=S(=O)(N[C@H]1CCSC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573057 599368255 /nfs/dbraw/zinc/36/82/55/599368255.db2.gz RFDGRHNAKWZHRG-ZETCQYMHSA-N -1 1 312.380 0.046 20 0 DCADMM O=C1CCC(=O)N1CCCNc1cccc(-c2nnn[n-]2)n1 ZINC000738301002 599432625 /nfs/dbraw/zinc/43/26/25/599432625.db2.gz HRHHEBYNCGFLJY-UHFFFAOYSA-N -1 1 301.310 0.213 20 0 DCADMM O=C1CCC(=O)N1CCCNc1cccc(-c2nn[n-]n2)n1 ZINC000738301002 599432629 /nfs/dbraw/zinc/43/26/29/599432629.db2.gz HRHHEBYNCGFLJY-UHFFFAOYSA-N -1 1 301.310 0.213 20 0 DCADMM Cc1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)c1c[n-]cn1 ZINC000737220462 599481692 /nfs/dbraw/zinc/48/16/92/599481692.db2.gz AEZFQEUOLIZBAK-UHFFFAOYSA-N -1 1 306.307 0.666 20 0 DCADMM COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821653482 599493051 /nfs/dbraw/zinc/49/30/51/599493051.db2.gz CEIFALKLSSTXGR-SECBINFHSA-N -1 1 304.266 0.261 20 0 DCADMM COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821653482 599493052 /nfs/dbraw/zinc/49/30/52/599493052.db2.gz CEIFALKLSSTXGR-SECBINFHSA-N -1 1 304.266 0.261 20 0 DCADMM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737743716 599576535 /nfs/dbraw/zinc/57/65/35/599576535.db2.gz IZHODKAVXZGRPW-WCBMZHEXSA-N -1 1 315.337 0.036 20 0 DCADMM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737743716 599576536 /nfs/dbraw/zinc/57/65/36/599576536.db2.gz IZHODKAVXZGRPW-WCBMZHEXSA-N -1 1 315.337 0.036 20 0 DCADMM CCCOC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821127229 599661955 /nfs/dbraw/zinc/66/19/55/599661955.db2.gz DFXJXKRSJNSROE-QMMMGPOBSA-N -1 1 305.294 0.760 20 0 DCADMM CCCOC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821127229 599661956 /nfs/dbraw/zinc/66/19/56/599661956.db2.gz DFXJXKRSJNSROE-QMMMGPOBSA-N -1 1 305.294 0.760 20 0 DCADMM CN(CCCC(=O)NCCCCN1CCOCC1)C(=O)[O-] ZINC000737425531 599734421 /nfs/dbraw/zinc/73/44/21/599734421.db2.gz CYWOEKSCRKCCNB-UHFFFAOYSA-N -1 1 301.387 0.605 20 0 DCADMM O=C([O-])CSCCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000739843345 599760199 /nfs/dbraw/zinc/76/01/99/599760199.db2.gz BHYDQYDOBHGUGV-NWDGAFQWSA-N -1 1 316.423 0.252 20 0 DCADMM CCOC(=O)C1CCN(C(=O)CN(C)CCC(=O)[O-])CC1 ZINC000737136714 599888623 /nfs/dbraw/zinc/88/86/23/599888623.db2.gz VQYNVCZUOOOHIB-UHFFFAOYSA-N -1 1 300.355 0.195 20 0 DCADMM COC(=O)[C@H](CC(C)C)NC(=O)CN1CCC(C(=O)[O-])CC1 ZINC000737578052 599967736 /nfs/dbraw/zinc/96/77/36/599967736.db2.gz XOSDEVUTWGXMHH-LBPRGKRZSA-N -1 1 314.382 0.487 20 0 DCADMM CN1CCC[C@@H]1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000737518667 600179208 /nfs/dbraw/zinc/17/92/08/600179208.db2.gz FOWQZQKWOWOCJT-GXTWGEPZSA-N -1 1 306.362 0.846 20 0 DCADMM COCCN(CCC(=O)[O-])CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000737794412 600224358 /nfs/dbraw/zinc/22/43/58/600224358.db2.gz NPFMBJKFSSAHCP-RYUDHWBXSA-N -1 1 302.371 0.045 20 0 DCADMM CN1CCN(C)[C@@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000737526005 600273720 /nfs/dbraw/zinc/27/37/20/600273720.db2.gz KWNTURYLJQVOCJ-HNNXBMFYSA-N -1 1 319.405 0.679 20 0 DCADMM O=C([O-])CNC(=O)CCN1CCN(Cc2ccsc2)CC1 ZINC000739806700 600286811 /nfs/dbraw/zinc/28/68/11/600286811.db2.gz MXXHGMKEFZRXEA-UHFFFAOYSA-N -1 1 311.407 0.457 20 0 DCADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@@H](C(=O)NC)C1)C(=O)[O-] ZINC000736877632 600330194 /nfs/dbraw/zinc/33/01/94/600330194.db2.gz KEXKRUAUELYOTR-DMDPSCGWSA-N -1 1 313.398 0.060 20 0 DCADMM CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000737524919 600468247 /nfs/dbraw/zinc/46/82/47/600468247.db2.gz ZPJLIJPGDAEKST-SNVBAGLBSA-N -1 1 323.324 0.673 20 0 DCADMM O=C([O-])Nc1ccc(CNC(=O)CN2CCC[C@H]2CO)cc1 ZINC000740024358 600490137 /nfs/dbraw/zinc/49/01/37/600490137.db2.gz DINFBMSNAJEBNE-ZDUSSCGKSA-N -1 1 307.350 0.849 20 0 DCADMM C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000094458540 600652211 /nfs/dbraw/zinc/65/22/11/600652211.db2.gz SXUOHJJRVZBYIG-VHSXEESVSA-N -1 1 314.363 0.835 20 0 DCADMM C[C@H]1CCCCN1CCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000828257358 600710984 /nfs/dbraw/zinc/71/09/84/600710984.db2.gz AAMOVBHJDBQZJX-JTQLQIEISA-N -1 1 315.395 0.866 20 0 DCADMM O=C([O-])c1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c[nH]1 ZINC000062976342 600735654 /nfs/dbraw/zinc/73/56/54/600735654.db2.gz IQHIAXWOPUAKTO-SNVBAGLBSA-N -1 1 313.379 0.572 20 0 DCADMM C[C@@H]1C[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCN1C ZINC000130996078 600765966 /nfs/dbraw/zinc/76/59/66/600765966.db2.gz NOSSLXGOBBKLEJ-PWSUYJOCSA-N -1 1 319.427 0.100 20 0 DCADMM O=C([O-])CC[N@@H+](Cc1cc(=O)n2[n-]ccc2n1)C1CCOCC1 ZINC000833233412 601050447 /nfs/dbraw/zinc/05/04/47/601050447.db2.gz YIHIRLQMXAHZKW-UHFFFAOYSA-N -1 1 320.349 0.478 20 0 DCADMM CCOC(=O)NCCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000829865757 601085515 /nfs/dbraw/zinc/08/55/15/601085515.db2.gz IUYGBVVBBZZMJA-NSHDSACASA-N -1 1 315.370 0.130 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccnc2N(C)C)CC1 ZINC000827380363 601091882 /nfs/dbraw/zinc/09/18/82/601091882.db2.gz RYJBDHJINVFRON-GFCCVEGCSA-N -1 1 320.393 0.769 20 0 DCADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000827380693 601101353 /nfs/dbraw/zinc/10/13/53/601101353.db2.gz UZQGTVQUEMFDSQ-LLVKDONJSA-N -1 1 317.349 0.350 20 0 DCADMM NC(=O)C[C@@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000833080440 601121192 /nfs/dbraw/zinc/12/11/92/601121192.db2.gz QNUUYVXJQUVAJC-NSHDSACASA-N -1 1 319.361 0.911 20 0 DCADMM Cc1n[nH]c(C)c1CC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832990346 601123055 /nfs/dbraw/zinc/12/30/55/601123055.db2.gz XLAIGGLOUAUXAE-SNVBAGLBSA-N -1 1 308.382 0.576 20 0 DCADMM CCn1cc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cn1 ZINC000830424042 601126579 /nfs/dbraw/zinc/12/65/79/601126579.db2.gz FXVIGZQQIMLABF-NSHDSACASA-N -1 1 309.370 0.916 20 0 DCADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCc1nc[nH]n1 ZINC000833194504 601136544 /nfs/dbraw/zinc/13/65/44/601136544.db2.gz INOHCMIVVLOLPE-LBPRGKRZSA-N -1 1 300.318 0.775 20 0 DCADMM C/C(=C\CN1CCN(CCn2ccccc2=O)CC1)C(=O)[O-] ZINC000825742234 601164213 /nfs/dbraw/zinc/16/42/13/601164213.db2.gz XDTJGGXQHSRONB-LHHJGKSTSA-N -1 1 305.378 0.497 20 0 DCADMM 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DCADMM CCCCOCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821073008 606167006 /nfs/dbraw/zinc/16/70/06/606167006.db2.gz XJFCMMQZAVNXSQ-UHFFFAOYSA-N -1 1 308.346 0.538 20 0 DCADMM CC[C@@H](C[C@@H](C)CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820882325 606169507 /nfs/dbraw/zinc/16/95/07/606169507.db2.gz PJBMSPIFCPBYMG-BDAKNGLRSA-N -1 1 322.373 0.519 20 0 DCADMM CC[C@@H](C[C@@H](C)CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820882325 606169508 /nfs/dbraw/zinc/16/95/08/606169508.db2.gz PJBMSPIFCPBYMG-BDAKNGLRSA-N -1 1 322.373 0.519 20 0 DCADMM CCCOC(=O)CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821128452 606169907 /nfs/dbraw/zinc/16/99/07/606169907.db2.gz UKHVZWCTZWNNMU-UHFFFAOYSA-N -1 1 322.329 0.065 20 0 DCADMM CCCOC(=O)CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821128452 606169908 /nfs/dbraw/zinc/16/99/08/606169908.db2.gz UKHVZWCTZWNNMU-UHFFFAOYSA-N -1 1 322.329 0.065 20 0 DCADMM C[C@@]1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC[C@@H]1O ZINC000820618416 606326370 /nfs/dbraw/zinc/32/63/70/606326370.db2.gz DBNCHOSYOPZLFL-WFASDCNBSA-N -1 1 316.365 0.933 20 0 DCADMM C[C@@]1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC[C@@H]1O ZINC000820618416 606326372 /nfs/dbraw/zinc/32/63/72/606326372.db2.gz DBNCHOSYOPZLFL-WFASDCNBSA-N -1 1 316.365 0.933 20 0 DCADMM CCC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820962678 606435432 /nfs/dbraw/zinc/43/54/32/606435432.db2.gz YFWRZQFSHAMESN-UHFFFAOYSA-N -1 1 308.367 0.730 20 0 DCADMM CCC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820962678 606435435 /nfs/dbraw/zinc/43/54/35/606435435.db2.gz YFWRZQFSHAMESN-UHFFFAOYSA-N -1 1 308.367 0.730 20 0 DCADMM O=C(N[C@@H]1CCCn2ncnc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823151053 606547819 /nfs/dbraw/zinc/54/78/19/606547819.db2.gz WAUQQNAPAUQYFC-SNVBAGLBSA-N -1 1 311.309 0.118 20 0 DCADMM O=C(N[C@@H]1CCCn2ncnc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823151053 606547821 /nfs/dbraw/zinc/54/78/21/606547821.db2.gz WAUQQNAPAUQYFC-SNVBAGLBSA-N -1 1 311.309 0.118 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2cncnc2C1 ZINC000823488432 606561358 /nfs/dbraw/zinc/56/13/58/606561358.db2.gz MNQTVYDMJBQHSR-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2cncnc2C1 ZINC000823488432 606561360 /nfs/dbraw/zinc/56/13/60/606561360.db2.gz MNQTVYDMJBQHSR-UHFFFAOYSA-N -1 1 313.346 0.917 20 0 DCADMM C[C@@H]1CC(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820643842 606572132 /nfs/dbraw/zinc/57/21/32/606572132.db2.gz ZTQOIRBETGNDHD-SSDOTTSWSA-N -1 1 306.351 0.279 20 0 DCADMM C[C@@H]1CC(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820643842 606572133 /nfs/dbraw/zinc/57/21/33/606572133.db2.gz ZTQOIRBETGNDHD-SSDOTTSWSA-N -1 1 306.351 0.279 20 0 DCADMM CCN1C[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC000821242574 606652616 /nfs/dbraw/zinc/65/26/16/606652616.db2.gz VHPJLVWKRFRMEA-SNVBAGLBSA-N -1 1 316.321 0.173 20 0 DCADMM CCN1C[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC000821242574 606652617 /nfs/dbraw/zinc/65/26/17/606652617.db2.gz VHPJLVWKRFRMEA-SNVBAGLBSA-N -1 1 316.321 0.173 20 0 DCADMM CCOC(=O)C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821326373 606758437 /nfs/dbraw/zinc/75/84/37/606758437.db2.gz WISLJXNZTJVUFR-ZETCQYMHSA-N -1 1 309.351 1.000 20 0 DCADMM CCOC(=O)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821326373 606758438 /nfs/dbraw/zinc/75/84/38/606758438.db2.gz WISLJXNZTJVUFR-ZETCQYMHSA-N -1 1 309.351 1.000 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@]2(CCOC2)C1 ZINC000823478343 606814955 /nfs/dbraw/zinc/81/49/55/606814955.db2.gz JMBYVYYNTMKKOH-AWEZNQCLSA-N -1 1 300.322 0.514 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@]2(CCOC2)C1 ZINC000823478343 606814956 /nfs/dbraw/zinc/81/49/56/606814956.db2.gz JMBYVYYNTMKKOH-AWEZNQCLSA-N -1 1 300.322 0.514 20 0 DCADMM O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823161579 606986318 /nfs/dbraw/zinc/98/63/18/606986318.db2.gz OKIQEIKRTFICLN-SNVBAGLBSA-N -1 1 310.321 0.272 20 0 DCADMM O=C(C[C@H]1COC(=O)C1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822945417 607093251 /nfs/dbraw/zinc/09/32/51/607093251.db2.gz DPYYDQZUTOICJG-SECBINFHSA-N -1 1 303.278 0.258 20 0 DCADMM O=C(C[C@H]1COC(=O)C1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822945417 607093253 /nfs/dbraw/zinc/09/32/53/607093253.db2.gz DPYYDQZUTOICJG-SECBINFHSA-N -1 1 303.278 0.258 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(CCO)CCC2)n1 ZINC000822614517 607195043 /nfs/dbraw/zinc/19/50/43/607195043.db2.gz NBJQVFDRDVENPQ-UHFFFAOYSA-N -1 1 320.357 0.274 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(CCO)CCC2)n1 ZINC000822614517 607195044 /nfs/dbraw/zinc/19/50/44/607195044.db2.gz NBJQVFDRDVENPQ-UHFFFAOYSA-N -1 1 320.357 0.274 20 0 DCADMM C[C@@H](c1ccncc1)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820570619 607211082 /nfs/dbraw/zinc/21/10/82/607211082.db2.gz OLAFVBMUZSDFQJ-VIFPVBQESA-N -1 1 313.325 0.073 20 0 DCADMM CC(C)[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820039438 607214045 /nfs/dbraw/zinc/21/40/45/607214045.db2.gz WKYRKDYRNVSSRF-WDEREUQCSA-N -1 1 318.385 0.789 20 0 DCADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC000820736159 607220049 /nfs/dbraw/zinc/22/00/49/607220049.db2.gz XWCFMSXJPSDREZ-GWCFXTLKSA-N -1 1 324.348 0.678 20 0 DCADMM CN(CC1(O)CCCC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825901723 607778064 /nfs/dbraw/zinc/77/80/64/607778064.db2.gz JYAKQSOKSZHLSK-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM CN(CC1(O)CCCC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825901723 607778065 /nfs/dbraw/zinc/77/80/65/607778065.db2.gz JYAKQSOKSZHLSK-UHFFFAOYSA-N -1 1 302.338 0.639 20 0 DCADMM Nc1ncncc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826396504 607848968 /nfs/dbraw/zinc/84/89/68/607848968.db2.gz BGEMOZVUAWXUEY-UHFFFAOYSA-N -1 1 303.717 0.899 20 0 DCADMM Nc1ncncc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826396504 607848969 /nfs/dbraw/zinc/84/89/69/607848969.db2.gz BGEMOZVUAWXUEY-UHFFFAOYSA-N -1 1 303.717 0.899 20 0 DCADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCSC1 ZINC000825820800 607919913 /nfs/dbraw/zinc/91/99/13/607919913.db2.gz UKDRSDHFXVCKNO-SSDOTTSWSA-N -1 1 308.371 0.569 20 0 DCADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCSC1 ZINC000825820800 607919914 /nfs/dbraw/zinc/91/99/14/607919914.db2.gz UKDRSDHFXVCKNO-SSDOTTSWSA-N -1 1 308.371 0.569 20 0 DCADMM Cc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)ncn1 ZINC000826267117 607943886 /nfs/dbraw/zinc/94/38/86/607943886.db2.gz QZVXYAPJHWJHIR-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)ncn1 ZINC000826267117 607943887 /nfs/dbraw/zinc/94/38/87/607943887.db2.gz QZVXYAPJHWJHIR-UHFFFAOYSA-N -1 1 301.335 0.957 20 0 DCADMM Cc1cccc(C)c1-n1nnnc1Cn1ccnc1-c1nnn[n-]1 ZINC000826296848 608013682 /nfs/dbraw/zinc/01/36/82/608013682.db2.gz LJQWEQVKLUTKMQ-UHFFFAOYSA-N -1 1 322.336 0.704 20 0 DCADMM Cc1cccc(C)c1-n1nnnc1Cn1ccnc1-c1nn[n-]n1 ZINC000826296848 608013683 /nfs/dbraw/zinc/01/36/83/608013683.db2.gz LJQWEQVKLUTKMQ-UHFFFAOYSA-N -1 1 322.336 0.704 20 0 DCADMM CC[C@H](C)C(=O)Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC000825049723 608022847 /nfs/dbraw/zinc/02/28/47/608022847.db2.gz DLDVXTZFKLESNP-QMMMGPOBSA-N -1 1 319.321 0.430 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)/C=C\C1CC1 ZINC000825923487 608212966 /nfs/dbraw/zinc/21/29/66/608212966.db2.gz JVDSDIZUDQVYEE-SREVYHEPSA-N -1 1 316.369 0.529 20 0 DCADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)/C=C\C1CC1 ZINC000825923487 608212967 /nfs/dbraw/zinc/21/29/67/608212967.db2.gz JVDSDIZUDQVYEE-SREVYHEPSA-N -1 1 316.369 0.529 20 0 DCADMM Cn1nccc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000826366764 608397223 /nfs/dbraw/zinc/39/72/23/608397223.db2.gz WLWYAFYCLISKQG-UHFFFAOYSA-N -1 1 307.317 0.963 20 0 DCADMM c1cnc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC000826525234 608401159 /nfs/dbraw/zinc/40/11/59/608401159.db2.gz BJVNACMOHSHVDD-SNVBAGLBSA-N -1 1 324.352 0.528 20 0 DCADMM c1cnc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC000826525234 608401161 /nfs/dbraw/zinc/40/11/61/608401161.db2.gz BJVNACMOHSHVDD-SNVBAGLBSA-N -1 1 324.352 0.528 20 0 DCADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1nnc2n1CCCC2 ZINC000824657936 608432671 /nfs/dbraw/zinc/43/26/71/608432671.db2.gz STKLCMVFKSKFJQ-MRVPVSSYSA-N -1 1 312.341 0.758 20 0 DCADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1nnc2n1CCCC2 ZINC000824657936 608432672 /nfs/dbraw/zinc/43/26/72/608432672.db2.gz STKLCMVFKSKFJQ-MRVPVSSYSA-N -1 1 312.341 0.758 20 0 DCADMM C[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)S(N)(=O)=O ZINC000824426475 608444009 /nfs/dbraw/zinc/44/40/09/608444009.db2.gz GGBUSMGJDGPERE-RXMQYKEDSA-N -1 1 317.762 0.004 20 0 DCADMM C[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)S(N)(=O)=O ZINC000824426475 608444010 /nfs/dbraw/zinc/44/40/10/608444010.db2.gz GGBUSMGJDGPERE-RXMQYKEDSA-N -1 1 317.762 0.004 20 0 DCADMM Cc1ocnc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826343047 608494651 /nfs/dbraw/zinc/49/46/51/608494651.db2.gz KIIZBMNAZPCECR-UHFFFAOYSA-N -1 1 303.286 0.218 20 0 DCADMM Cc1ocnc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826343047 608494652 /nfs/dbraw/zinc/49/46/52/608494652.db2.gz KIIZBMNAZPCECR-UHFFFAOYSA-N -1 1 303.286 0.218 20 0 DCADMM CCN(Cc1ccc(-c2nnn[n-]2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000825428474 608498510 /nfs/dbraw/zinc/49/85/10/608498510.db2.gz OHWDBSCJTOEKOP-VIFPVBQESA-N -1 1 311.367 0.469 20 0 DCADMM CCN(Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000825428474 608498511 /nfs/dbraw/zinc/49/85/11/608498511.db2.gz OHWDBSCJTOEKOP-VIFPVBQESA-N -1 1 311.367 0.469 20 0 DCADMM O=C(C1CC1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826397361 608502923 /nfs/dbraw/zinc/50/29/23/608502923.db2.gz BJXVTXYWTJMVSN-UHFFFAOYSA-N -1 1 318.406 0.982 20 0 DCADMM CCOC(=O)[C@H]1CSCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825499711 608510810 /nfs/dbraw/zinc/51/08/10/608510810.db2.gz RQSHKZVINKXHJW-SNVBAGLBSA-N -1 1 323.378 0.940 20 0 DCADMM CCOC(=O)[C@H]1CSCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825499711 608510812 /nfs/dbraw/zinc/51/08/12/608510812.db2.gz RQSHKZVINKXHJW-SNVBAGLBSA-N -1 1 323.378 0.940 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(c2cnccn2)CC1 ZINC000826280854 608542849 /nfs/dbraw/zinc/54/28/49/608542849.db2.gz SWAIHZUPDMFLBE-UHFFFAOYSA-N -1 1 323.364 0.687 20 0 DCADMM CC(=O)NC1CCN(c2nc(-c3nn[n-]n3)ccc2C)CC1 ZINC000823989233 608543854 /nfs/dbraw/zinc/54/38/54/608543854.db2.gz QPKVZBNIRSSVIZ-UHFFFAOYSA-N -1 1 301.354 0.675 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000826280575 608544083 /nfs/dbraw/zinc/54/40/83/608544083.db2.gz HOTVPBACUFRVPV-SNVBAGLBSA-N -1 1 301.354 0.991 20 0 DCADMM C[C@@H](O)CN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824707368 608566937 /nfs/dbraw/zinc/56/69/37/608566937.db2.gz RCUIMBGOIOJYKS-SSDOTTSWSA-N -1 1 315.330 0.007 20 0 DCADMM C[C@@H](O)CN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824707368 608566939 /nfs/dbraw/zinc/56/69/39/608566939.db2.gz RCUIMBGOIOJYKS-SSDOTTSWSA-N -1 1 315.330 0.007 20 0 DCADMM O=C(Nc1cnc2c(c1)COCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826459686 609236220 /nfs/dbraw/zinc/23/62/20/609236220.db2.gz URPAJEZCYIDFCD-UHFFFAOYSA-N -1 1 323.316 0.982 20 0 DCADMM O=C(Nc1cnc2c(c1)COCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826459686 609236222 /nfs/dbraw/zinc/23/62/22/609236222.db2.gz URPAJEZCYIDFCD-UHFFFAOYSA-N -1 1 323.316 0.982 20 0 DCADMM CCc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1C ZINC000825700851 609402819 /nfs/dbraw/zinc/40/28/19/609402819.db2.gz WGWVDMCIKATRLZ-UHFFFAOYSA-N -1 1 312.337 0.968 20 0 DCADMM CN(Cc1ncc(Cl)n1C)c1nccnc1-c1nnn[n-]1 ZINC000825999010 609435066 /nfs/dbraw/zinc/43/50/66/609435066.db2.gz ILBWYTCSBPRHMF-UHFFFAOYSA-N -1 1 305.733 0.680 20 0 DCADMM CN(Cc1ncc(Cl)n1C)c1nccnc1-c1nn[n-]n1 ZINC000825999010 609435069 /nfs/dbraw/zinc/43/50/69/609435069.db2.gz ILBWYTCSBPRHMF-UHFFFAOYSA-N -1 1 305.733 0.680 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCOC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826346796 609467941 /nfs/dbraw/zinc/46/79/41/609467941.db2.gz WBYWPEYIUHKKAA-SECBINFHSA-N -1 1 320.353 0.779 20 0 DCADMM Cc1onc(CC(=O)N[C@@H]2CCOC(C)(C)C2)c1-c1nn[n-]n1 ZINC000826346796 609467943 /nfs/dbraw/zinc/46/79/43/609467943.db2.gz WBYWPEYIUHKKAA-SECBINFHSA-N -1 1 320.353 0.779 20 0 DCADMM C[C@H](O)c1cn(C2CN(Cc3ccc(-c4nnn[n-]4)o3)C2)nn1 ZINC000824707519 609494496 /nfs/dbraw/zinc/49/44/96/609494496.db2.gz SEIQPGUIDBEZRU-QMMMGPOBSA-N -1 1 316.325 0.161 20 0 DCADMM C[C@H](O)c1cn(C2CN(Cc3ccc(-c4nn[n-]n4)o3)C2)nn1 ZINC000824707519 609494500 /nfs/dbraw/zinc/49/45/00/609494500.db2.gz SEIQPGUIDBEZRU-QMMMGPOBSA-N -1 1 316.325 0.161 20 0 DCADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C(C)(C)c1cnn(C)c1 ZINC000866869436 658142523 /nfs/dbraw/zinc/14/25/23/658142523.db2.gz VOJBRQAWOXTJGD-UHFFFAOYSA-N -1 1 322.456 0.997 20 0 DCADMM CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H](CO)Cc1ccccc1 ZINC000866834465 667404419 /nfs/dbraw/zinc/40/44/19/667404419.db2.gz WPEDBGHEMKKMLY-LBPRGKRZSA-N -1 1 320.436 0.400 20 0 DCADMM O=C([O-])[C@@H](CNC(=O)CN1CCCC1)Oc1ccc(F)cc1 ZINC000909390876 660539541 /nfs/dbraw/zinc/53/95/41/660539541.db2.gz ZTYMNFUKWDQBNR-CYBMUJFWSA-N -1 1 310.325 0.870 20 0 DCADMM O=C(N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)c1cnco1 ZINC000978755666 660597413 /nfs/dbraw/zinc/59/74/13/660597413.db2.gz VAYBQLGQTKQMFZ-AOOOYVTPSA-N -1 1 316.317 0.714 20 0 DCADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)/C=C\C2CC2)CCO1 ZINC000979255446 660696254 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COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1cnc(OC)s1 ZINC000916685810 665082553 /nfs/dbraw/zinc/08/25/53/665082553.db2.gz QWCKXEXHYMLJJU-ZCFIWIBFSA-N -1 1 312.344 0.331 20 0 DCADMM C[C@H]1C[C@@H]1C(=O)N1CC2(C1)CCCN(Cc1nc(=O)n(C)[n-]1)C2 ZINC000981600285 661180183 /nfs/dbraw/zinc/18/01/83/661180183.db2.gz OCHBGVLTCOBFEY-RYUDHWBXSA-N -1 1 319.409 0.189 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)C2CC3(CC3)C2)nc1=O ZINC001028127091 661224306 /nfs/dbraw/zinc/22/43/06/661224306.db2.gz DLYUPAYIVLKDQQ-GFCCVEGCSA-N -1 1 319.409 0.379 20 0 DCADMM CC[C@@H]1C[C@H]1C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000981995976 661269209 /nfs/dbraw/zinc/26/92/09/661269209.db2.gz LFKSDKDEAUSLQZ-VXGBXAGGSA-N -1 1 307.398 0.189 20 0 DCADMM C[C@H](C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)n1cccn1 ZINC000998614609 665490429 /nfs/dbraw/zinc/49/04/29/665490429.db2.gz XITALULYQYHKBV-GHMZBOCLSA-N -1 1 319.369 0.049 20 0 DCADMM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866850402 657533778 /nfs/dbraw/zinc/53/37/78/657533778.db2.gz AOWZKYUEQWUQJY-JTQLQIEISA-N -1 1 312.363 0.752 20 0 DCADMM Cc1ncncc1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998636671 665494743 /nfs/dbraw/zinc/49/47/43/665494743.db2.gz QVUWXHOERYXXEE-JTQLQIEISA-N -1 1 317.353 0.003 20 0 DCADMM Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)C2)nc1=O ZINC001031785209 665498192 /nfs/dbraw/zinc/49/81/92/665498192.db2.gz DCBPGYPQQXDSJJ-UPJWGTAASA-N -1 1 319.409 0.093 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC000971746917 657639081 /nfs/dbraw/zinc/63/90/81/657639081.db2.gz GFDOCYBOVNNXNT-GFCCVEGCSA-N -1 1 319.409 0.331 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H](CNC(=O)[C@@H]3CC3(C)C)C2)nc1=O ZINC001023316845 657735828 /nfs/dbraw/zinc/73/58/28/657735828.db2.gz SQKAFWGHUHKKCY-RYUDHWBXSA-N -1 1 321.425 0.483 20 0 DCADMM Cn1ccnc1CN1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001038194231 657794919 /nfs/dbraw/zinc/79/49/19/657794919.db2.gz PBVKIEPSGHFOIQ-LLVKDONJSA-N -1 1 301.350 0.525 20 0 DCADMM CCn1cccc1C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970727847 657836421 /nfs/dbraw/zinc/83/64/21/657836421.db2.gz OPPJWFTWTKDYEA-SNVBAGLBSA-N -1 1 304.354 0.336 20 0 DCADMM Cc1cnc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cc1C ZINC000969424664 657857307 /nfs/dbraw/zinc/85/73/07/657857307.db2.gz SFLJFCVTAUFBEK-LLVKDONJSA-N -1 1 316.365 0.526 20 0 DCADMM Cc1[nH]nc(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1C ZINC000998765273 665522421 /nfs/dbraw/zinc/52/24/21/665522421.db2.gz PBOXQNASQFOZTC-JTQLQIEISA-N -1 1 319.369 0.245 20 0 DCADMM C[C@]1(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C[C@H]2C[C@H]2C1 ZINC000969449748 657900133 /nfs/dbraw/zinc/90/01/33/657900133.db2.gz SUVSJOCDESUJEC-RSQPEXBXSA-N -1 1 305.382 0.637 20 0 DCADMM CCc1ocnc1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998785362 665528063 /nfs/dbraw/zinc/52/80/63/665528063.db2.gz KMNPSZQHPVGMMA-VIFPVBQESA-N -1 1 320.353 0.455 20 0 DCADMM O=C(/C=C/C1CC1)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023488641 657921837 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O=C(N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)[C@]12C[C@H]1CCCC2 ZINC000969875219 658227346 /nfs/dbraw/zinc/22/73/46/658227346.db2.gz IIUOOKAIQBJVSN-UEKVPHQBSA-N -1 1 305.382 0.781 20 0 DCADMM CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC000971076235 658246896 /nfs/dbraw/zinc/24/68/96/658246896.db2.gz ZASORNSOBDEGDZ-NSHDSACASA-N -1 1 305.338 0.048 20 0 DCADMM COCCCNC(=O)CN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934283399 658275239 /nfs/dbraw/zinc/27/52/39/658275239.db2.gz VPPPJSHBEVFSJX-LLVKDONJSA-N -1 1 324.381 0.480 20 0 DCADMM O=C(c1cc(C2CC2)no1)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970136639 658544840 /nfs/dbraw/zinc/54/48/40/658544840.db2.gz AWZQHKCGTHHCRB-SECBINFHSA-N -1 1 318.337 0.380 20 0 DCADMM CN(Cc1cnon1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971393227 658578019 /nfs/dbraw/zinc/57/80/19/658578019.db2.gz FPAVUTDHVAHHOA-LLVKDONJSA-N -1 1 303.322 0.517 20 0 DCADMM Cc1noc(CN(C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC000971395816 658579171 /nfs/dbraw/zinc/57/91/71/658579171.db2.gz XUNJSYZCBHGYFG-NSHDSACASA-N -1 1 317.349 0.825 20 0 DCADMM O=C(Cc1[nH]nc2ccccc21)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737978267 658677624 /nfs/dbraw/zinc/67/76/24/658677624.db2.gz QZZXRFGFPGCJSF-GFCCVEGCSA-N -1 1 313.321 0.219 20 0 DCADMM Cn1nccc1CCN1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001038183408 658709800 /nfs/dbraw/zinc/70/98/00/658709800.db2.gz IWORCICJWWQCHS-CYBMUJFWSA-N -1 1 315.377 0.568 20 0 DCADMM Cc1nnc(CN[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)o1 ZINC001022000106 658719230 /nfs/dbraw/zinc/71/92/30/658719230.db2.gz ORDXIXUOEWRGHF-AOOOYVTPSA-N -1 1 303.322 0.529 20 0 DCADMM Cc1ccoc1CC(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000999291349 665623065 /nfs/dbraw/zinc/62/30/65/665623065.db2.gz QVPNVWSVEAJJNO-UHFFFAOYSA-N -1 1 315.329 0.872 20 0 DCADMM COCc1nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)cc(=O)[n-]1 ZINC000891479842 658886342 /nfs/dbraw/zinc/88/63/42/658886342.db2.gz FQXZLCDUFRWMJI-LLVKDONJSA-N -1 1 322.365 0.156 20 0 DCADMM COCC(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975229307 658962656 /nfs/dbraw/zinc/96/26/56/658962656.db2.gz XSHKSISBLRQVSZ-NSHDSACASA-N -1 1 307.350 0.402 20 0 DCADMM CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973063804 659002141 /nfs/dbraw/zinc/00/21/41/659002141.db2.gz ASMZDJMLOQUOTI-MRBYEJRBSA-N -1 1 319.361 0.589 20 0 DCADMM Cn1[n-]c(CN2CCC[C@@H](NC(=O)c3ccsc3)C2)nc1=O ZINC001006679608 659018363 /nfs/dbraw/zinc/01/83/63/659018363.db2.gz OVJLUDDURSRSCW-LLVKDONJSA-N -1 1 321.406 0.564 20 0 DCADMM CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000999399427 665639148 /nfs/dbraw/zinc/63/91/48/665639148.db2.gz HGCSGMCPZDVAEY-MDZLAQPJSA-N -1 1 323.397 0.406 20 0 DCADMM Cc1nc[nH]c1C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025176217 659108448 /nfs/dbraw/zinc/10/84/48/659108448.db2.gz AHOGUHGOHJHNIH-SNVBAGLBSA-N -1 1 319.369 0.326 20 0 DCADMM CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncccc1[O-])CCO2 ZINC001007542448 659168879 /nfs/dbraw/zinc/16/88/79/659168879.db2.gz IKESUCYGTKPAKO-OAHLLOKOSA-N -1 1 305.334 0.251 20 0 DCADMM Cc1conc1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973199322 659175641 /nfs/dbraw/zinc/17/56/41/659175641.db2.gz RNCQAODKFRUJTD-MGCOHNPYSA-N -1 1 316.317 0.774 20 0 DCADMM O=C(N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccns1 ZINC000974056517 659175987 /nfs/dbraw/zinc/17/59/87/659175987.db2.gz JPELGQKHOAAVFW-DTORHVGOSA-N -1 1 318.358 0.935 20 0 DCADMM CCc1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)no1 ZINC000973436605 659290768 /nfs/dbraw/zinc/29/07/68/659290768.db2.gz XOTIRRJKXILJJJ-ZKCHVHJHSA-N -1 1 304.310 0.046 20 0 DCADMM O=C(CSCc1ccccn1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737936366 659369730 /nfs/dbraw/zinc/36/97/30/659369730.db2.gz NKDHULBXKDGHQB-LLVKDONJSA-N -1 1 320.378 0.428 20 0 DCADMM O=C(c1ncccc1[O-])N1CC[C@H](C[NH2+]Cc2nncs2)C1 ZINC001026797433 659547040 /nfs/dbraw/zinc/54/70/40/659547040.db2.gz ULSPTBPWAYMYOW-SNVBAGLBSA-N -1 1 319.390 0.891 20 0 DCADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)c1cocn1 ZINC000977454674 659712832 /nfs/dbraw/zinc/71/28/32/659712832.db2.gz 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CCC(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576415464 1164335364 /nfs/dbraw/zinc/33/53/64/1164335364.db2.gz UFCOKNFNLBWLQF-UWVGGRQHSA-N -1 1 316.369 0.716 20 0 DCADMM CCC(=O)N1CCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576416830 1164336714 /nfs/dbraw/zinc/33/67/14/1164336714.db2.gz SPWSYVNNFSQJQL-JTQLQIEISA-N -1 1 316.369 0.778 20 0 DCADMM CCC(=O)N1CCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576416830 1164336720 /nfs/dbraw/zinc/33/67/20/1164336720.db2.gz SPWSYVNNFSQJQL-JTQLQIEISA-N -1 1 316.369 0.778 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001576430899 1164339401 /nfs/dbraw/zinc/33/94/01/1164339401.db2.gz WUTVUMVQHLQBKH-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001576430899 1164339409 /nfs/dbraw/zinc/33/94/09/1164339409.db2.gz WUTVUMVQHLQBKH-ZJUUUORDSA-N -1 1 316.369 0.858 20 0 DCADMM CCC(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001576430976 1164340342 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CC[C@H](C)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576566582 1164395911 /nfs/dbraw/zinc/39/59/11/1164395911.db2.gz VHHQDTHUZLRABP-UWVGGRQHSA-N -1 1 318.385 0.384 20 0 DCADMM CC[C@H](C)C(=O)NCCN(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001576582855 1164404447 /nfs/dbraw/zinc/40/44/47/1164404447.db2.gz ACFDFDBHCWQPCR-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@H](C)C(=O)NCCN(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001576582855 1164404450 /nfs/dbraw/zinc/40/44/50/1164404450.db2.gz ACFDFDBHCWQPCR-JTQLQIEISA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H](C)CC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576629307 1164418254 /nfs/dbraw/zinc/41/82/54/1164418254.db2.gz HPFCCMHRUAYSMP-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CC[C@@H](C)CC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576629307 1164418259 /nfs/dbraw/zinc/41/82/59/1164418259.db2.gz HPFCCMHRUAYSMP-SNVBAGLBSA-N -1 1 318.385 0.645 20 0 DCADMM CCC(CC)(NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1nn[n-]n1 ZINC001576717662 1164440260 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/nfs/dbraw/zinc/31/87/28/1165318728.db2.gz ZKRXAPCHYIVPBG-JGVFFNPUSA-N -1 1 319.325 0.508 20 0 DCADMM COC(=O)[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001579470361 1165320027 /nfs/dbraw/zinc/32/00/27/1165320027.db2.gz DNCNAKAJFQXHMN-SVRRBLITSA-N -1 1 324.366 0.398 20 0 DCADMM COC(=O)c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)cn1C ZINC001579485396 1165329153 /nfs/dbraw/zinc/32/91/53/1165329153.db2.gz YCGGUGWVSDYRNC-UHFFFAOYSA-N -1 1 316.277 0.837 20 0 DCADMM COC(=O)c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)cn1C ZINC001579485396 1165329157 /nfs/dbraw/zinc/32/91/57/1165329157.db2.gz YCGGUGWVSDYRNC-UHFFFAOYSA-N -1 1 316.277 0.837 20 0 DCADMM COC(=O)c1n[nH]cc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579491941 1165330992 /nfs/dbraw/zinc/33/09/92/1165330992.db2.gz RWHLYQBJRRMRAH-UHFFFAOYSA-N -1 1 319.306 0.690 20 0 DCADMM COC(=O)c1sccc1Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001579493976 1165334097 /nfs/dbraw/zinc/33/40/97/1165334097.db2.gz ZPTZZGNKPRVMHW-UHFFFAOYSA-N -1 1 317.330 0.925 20 0 DCADMM CO[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001579529596 1165337767 /nfs/dbraw/zinc/33/77/67/1165337767.db2.gz BOTKAXQYFZVTQR-NSHDSACASA-N -1 1 314.309 0.321 20 0 DCADMM CO[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001579529596 1165337774 /nfs/dbraw/zinc/33/77/74/1165337774.db2.gz BOTKAXQYFZVTQR-NSHDSACASA-N -1 1 314.309 0.321 20 0 DCADMM COC1(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC001579602497 1165357167 /nfs/dbraw/zinc/35/71/67/1165357167.db2.gz LJLWSEIBPTVVBR-VIFPVBQESA-N -1 1 320.357 0.095 20 0 DCADMM COc1cc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)ncn1 ZINC001579916114 1165435539 /nfs/dbraw/zinc/43/55/39/1165435539.db2.gz VLZMCUCOSKSKAV-UHFFFAOYSA-N -1 1 318.322 0.683 20 0 DCADMM COc1cc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)ncn1 ZINC001579916114 1165435546 /nfs/dbraw/zinc/43/55/46/1165435546.db2.gz VLZMCUCOSKSKAV-UHFFFAOYSA-N -1 1 318.322 0.683 20 0 DCADMM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)nn1C ZINC001579916323 1165436933 /nfs/dbraw/zinc/43/69/33/1165436933.db2.gz XHBNGXNNSMBFKS-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)nn1C ZINC001579916323 1165436935 /nfs/dbraw/zinc/43/69/35/1165436935.db2.gz XHBNGXNNSMBFKS-UHFFFAOYSA-N -1 1 300.282 0.256 20 0 DCADMM COc1cc2c(cc1CNc1n[nH]cc1-c1nnn[n-]1)OCO2 ZINC001579939506 1165445036 /nfs/dbraw/zinc/44/50/36/1165445036.db2.gz TWMLJNXAGQJLIB-UHFFFAOYSA-N -1 1 315.293 0.939 20 0 DCADMM COc1cc2c(cc1CNc1n[nH]cc1-c1nn[n-]n1)OCO2 ZINC001579939506 1165445038 /nfs/dbraw/zinc/44/50/38/1165445038.db2.gz TWMLJNXAGQJLIB-UHFFFAOYSA-N -1 1 315.293 0.939 20 0 DCADMM COc1ccc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cn1 ZINC001580032955 1165480089 /nfs/dbraw/zinc/48/00/89/1165480089.db2.gz RDZAUVDQQMYHSG-UHFFFAOYSA-N -1 1 324.344 0.969 20 0 DCADMM COc1nn(C)cc1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580151402 1165520635 /nfs/dbraw/zinc/52/06/35/1165520635.db2.gz NSQHYOPRSNXAIY-UHFFFAOYSA-N -1 1 315.297 0.648 20 0 DCADMM COc1nn(C)cc1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580151402 1165520640 /nfs/dbraw/zinc/52/06/40/1165520640.db2.gz NSQHYOPRSNXAIY-UHFFFAOYSA-N -1 1 315.297 0.648 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC1(C)CC1 ZINC001580419734 1165597098 /nfs/dbraw/zinc/59/70/98/1165597098.db2.gz OVCXEPBLVDNEHJ-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC1(C)CC1 ZINC001580419734 1165597107 /nfs/dbraw/zinc/59/71/07/1165597107.db2.gz OVCXEPBLVDNEHJ-SECBINFHSA-N -1 1 316.369 0.764 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CC1(C)C ZINC001580418644 1165597126 /nfs/dbraw/zinc/59/71/26/1165597126.db2.gz MUPXNMLLHOQQAJ-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CC1(C)C ZINC001580418644 1165597135 /nfs/dbraw/zinc/59/71/35/1165597135.db2.gz MUPXNMLLHOQQAJ-BDAKNGLRSA-N -1 1 316.369 0.619 20 0 DCADMM C[C@H](Cc1cn(C)nn1)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001580431039 1165600729 /nfs/dbraw/zinc/60/07/29/1165600729.db2.gz DKLRXXYAXZOZLW-SSDOTTSWSA-N -1 1 318.366 0.418 20 0 DCADMM Cc1[nH]c(=O)[nH]c1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001580472005 1165613525 /nfs/dbraw/zinc/61/35/25/1165613525.db2.gz ODFRABKXJFDSTP-UHFFFAOYSA-N -1 1 315.297 0.457 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)COc2ccccc2)nn1C ZINC001580522745 1165629743 /nfs/dbraw/zinc/62/97/43/1165629743.db2.gz UZDBAIURDBVYKS-UHFFFAOYSA-N -1 1 313.321 0.926 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)COc2ccccc2)nn1C ZINC001580522745 1165629747 /nfs/dbraw/zinc/62/97/47/1165629747.db2.gz UZDBAIURDBVYKS-UHFFFAOYSA-N -1 1 313.321 0.926 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@@H](C)[C@H]1CO ZINC001580597555 1165649405 /nfs/dbraw/zinc/64/94/05/1165649405.db2.gz JFVABSMHSYFTKP-GMSGAONNSA-N -1 1 318.337 0.119 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)CC1(O)CCC1 ZINC001580596384 1165649868 /nfs/dbraw/zinc/64/98/68/1165649868.db2.gz UAUDIWOGMPWCIO-UHFFFAOYSA-N -1 1 318.337 0.263 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@H](C)OC[C@H]1C ZINC001580597955 1165650173 /nfs/dbraw/zinc/65/01/73/1165650173.db2.gz PIXROHPDMHRYBX-BDAKNGLRSA-N -1 1 318.337 0.525 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@]1(C)CCCOC1 ZINC001580601701 1165651357 /nfs/dbraw/zinc/65/13/57/1165651357.db2.gz MDXAFRUFQGJAOI-AWEZNQCLSA-N -1 1 318.337 0.575 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@](C)(O)C1CC1 ZINC001580602163 1165652787 /nfs/dbraw/zinc/65/27/87/1165652787.db2.gz DWUGWXSMXMLMNO-AWEZNQCLSA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@@H]1CO ZINC001580606094 1165654836 /nfs/dbraw/zinc/65/48/36/1165654836.db2.gz FCKUUUVXCJCYPP-PSASIEDQSA-N -1 1 318.337 0.167 20 0 DCADMM Cc1cnccc1CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581337111 1165814656 /nfs/dbraw/zinc/81/46/56/1165814656.db2.gz HGXFHRHMHZXYNN-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1cnccc1CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581337111 1165814665 /nfs/dbraw/zinc/81/46/65/1165814665.db2.gz HGXFHRHMHZXYNN-UHFFFAOYSA-N -1 1 315.362 0.886 20 0 DCADMM Cc1[nH]nc(NCc2ccc(S(C)(=O)=O)o2)c1-c1nnn[n-]1 ZINC001581403216 1165821181 /nfs/dbraw/zinc/82/11/81/1165821181.db2.gz DPZKLZIWWUOKFJ-UHFFFAOYSA-N -1 1 323.338 0.507 20 0 DCADMM Cc1[nH]nc(NCc2ccc(S(C)(=O)=O)o2)c1-c1nn[n-]n1 ZINC001581403216 1165821186 /nfs/dbraw/zinc/82/11/86/1165821186.db2.gz DPZKLZIWWUOKFJ-UHFFFAOYSA-N -1 1 323.338 0.507 20 0 DCADMM Cc1[nH]nc(NC(=O)c2nnn(C(C)C)c2C)c1-c1nn[n-]n1 ZINC001581403879 1165821699 /nfs/dbraw/zinc/82/16/99/1165821699.db2.gz XDOALUMTAHIWLI-UHFFFAOYSA-N -1 1 316.329 0.631 20 0 DCADMM Cc1nonc1CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581655975 1165855825 /nfs/dbraw/zinc/85/58/25/1165855825.db2.gz SNJBFNFFTFCTMV-UHFFFAOYSA-N -1 1 320.338 0.619 20 0 DCADMM Cc1nsc(NC(=O)CCc2ccn(C)n2)c1-c1nnn[n-]1 ZINC001581683963 1165857735 /nfs/dbraw/zinc/85/77/35/1165857735.db2.gz RKUSYRCNHPAEGJ-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1nsc(NC(=O)CCc2ccn(C)n2)c1-c1nn[n-]n1 ZINC001581683963 1165857738 /nfs/dbraw/zinc/85/77/38/1165857738.db2.gz RKUSYRCNHPAEGJ-UHFFFAOYSA-N -1 1 318.366 0.936 20 0 DCADMM Cc1nsc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)c1-c1nn[n-]n1 ZINC001581722080 1165861109 /nfs/dbraw/zinc/86/11/09/1165861109.db2.gz MMKQBRNTGHRRMZ-RNFRBKRXSA-N -1 1 314.396 0.619 20 0 DCADMM Cn1c(=O)[nH]c(NCc2cccc(F)c2)c(-c2nn[n-]n2)c1=O ZINC001581747284 1165865568 /nfs/dbraw/zinc/86/55/68/1165865568.db2.gz GWBUNRNQMCMTIS-UHFFFAOYSA-N -1 1 317.284 0.417 20 0 DCADMM Cn1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)nc1=O ZINC001581791538 1165877443 /nfs/dbraw/zinc/87/74/43/1165877443.db2.gz KJBKDCMDYFDJQS-UHFFFAOYSA-N -1 1 303.307 0.108 20 0 DCADMM Cn1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)nc1=O ZINC001581791538 1165877446 /nfs/dbraw/zinc/87/74/46/1165877446.db2.gz KJBKDCMDYFDJQS-UHFFFAOYSA-N -1 1 303.307 0.108 20 0 DCADMM Cn1ccnc(NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c1=O ZINC001581796697 1165877547 /nfs/dbraw/zinc/87/75/47/1165877547.db2.gz SPWMNNPLMUSRTO-UHFFFAOYSA-N -1 1 319.275 0.851 20 0 DCADMM Cn1ccnc(NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c1=O ZINC001581796697 1165877552 /nfs/dbraw/zinc/87/75/52/1165877552.db2.gz SPWMNNPLMUSRTO-UHFFFAOYSA-N -1 1 319.275 0.851 20 0 DCADMM Cn1cnc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001581808761 1165879629 /nfs/dbraw/zinc/87/96/29/1165879629.db2.gz QNHFGDJXQJNETR-UHFFFAOYSA-N -1 1 305.327 0.378 20 0 DCADMM Cn1nnc2c1nccc2C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581846097 1165885910 /nfs/dbraw/zinc/88/59/10/1165885910.db2.gz WADGFFWPIHYERF-UHFFFAOYSA-N -1 1 322.292 0.191 20 0 DCADMM Cn1nnc2c1nccc2C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581846097 1165885918 /nfs/dbraw/zinc/88/59/18/1165885918.db2.gz WADGFFWPIHYERF-UHFFFAOYSA-N -1 1 322.292 0.191 20 0 DCADMM NC(=O)c1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001581904519 1165910152 /nfs/dbraw/zinc/91/01/52/1165910152.db2.gz JJNXFTOKHWAQKX-UHFFFAOYSA-N -1 1 315.318 0.674 20 0 DCADMM O=C(CC1CC1)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001581970038 1165927658 /nfs/dbraw/zinc/92/76/58/1165927658.db2.gz LATVQXHSPDUNSI-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(CC1CC1)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001581970038 1165927665 /nfs/dbraw/zinc/92/76/65/1165927665.db2.gz LATVQXHSPDUNSI-SNVBAGLBSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@@H](CO)c1ccccn1)c1csc(-c2nn[n-]n2)c1 ZINC001582232624 1165988424 /nfs/dbraw/zinc/98/84/24/1165988424.db2.gz OVMSXCXKMGBTQZ-JTQLQIEISA-N -1 1 316.346 0.787 20 0 DCADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001582259601 1165992356 /nfs/dbraw/zinc/99/23/56/1165992356.db2.gz JWKYYRBMISIFHG-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001582259601 1165992362 /nfs/dbraw/zinc/99/23/62/1165992362.db2.gz JWKYYRBMISIFHG-UHFFFAOYSA-N -1 1 314.353 0.373 20 0 DCADMM O=C(NCC1(CO)CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001582383252 1166008181 /nfs/dbraw/zinc/00/81/81/1166008181.db2.gz CWYXZFPCIGLZLN-UHFFFAOYSA-N -1 1 323.378 0.447 20 0 DCADMM O=C(NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)C1CC1 ZINC001582399012 1166011263 /nfs/dbraw/zinc/01/12/63/1166011263.db2.gz IJIFQJDLLUHRGR-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)C1CC1 ZINC001582399012 1166011269 /nfs/dbraw/zinc/01/12/69/1166011269.db2.gz IJIFQJDLLUHRGR-UHFFFAOYSA-N -1 1 314.353 0.518 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1CCO ZINC001582549231 1166039396 /nfs/dbraw/zinc/03/93/96/1166039396.db2.gz SOBRYFRWLKGWHQ-VIFPVBQESA-N -1 1 322.394 0.985 20 0 DCADMM O=C(Nc1cnc2c(c1)CNC2=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001582650156 1166062257 /nfs/dbraw/zinc/06/22/57/1166062257.db2.gz MOVSQVVEDVZBJH-UHFFFAOYSA-N -1 1 322.288 0.152 20 0 DCADMM O=C(Nc1cnc2c(c1)CNC2=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001582650156 1166062264 /nfs/dbraw/zinc/06/22/64/1166062264.db2.gz MOVSQVVEDVZBJH-UHFFFAOYSA-N -1 1 322.288 0.152 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001582701598 1166068268 /nfs/dbraw/zinc/06/82/68/1166068268.db2.gz RAZRIUTZBABWNG-IUCAKERBSA-N -1 1 322.369 0.796 20 0 DCADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1COC(=O)N1 ZINC001582788553 1166081462 /nfs/dbraw/zinc/08/14/62/1166081462.db2.gz UEIZXQXMVJXWLZ-UWTATZPHSA-N -1 1 315.702 0.024 20 0 DCADMM O=S(=O)(c1ccc(-c2nn[n-]n2)o1)N1CCc2cccnc21 ZINC001582800159 1166084919 /nfs/dbraw/zinc/08/49/19/1166084919.db2.gz SGZYOTVWNSVQTE-UHFFFAOYSA-N -1 1 318.318 0.606 20 0 DCADMM O=c1cc(-c2nn[n-]n2)ncn1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001582807198 1166089805 /nfs/dbraw/zinc/08/98/05/1166089805.db2.gz RJLNGCNNWUGAJS-YGRLFVJLSA-N -1 1 318.337 0.152 20 0 DCADMM OC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCOC1 ZINC001582812749 1166090755 /nfs/dbraw/zinc/09/07/55/1166090755.db2.gz RNNRVTWFKRRQFM-NTSWFWBYSA-N -1 1 316.774 0.786 20 0 DCADMM OC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCOC1 ZINC001582812749 1166090759 /nfs/dbraw/zinc/09/07/59/1166090759.db2.gz RNNRVTWFKRRQFM-NTSWFWBYSA-N -1 1 316.774 0.786 20 0 DCADMM O=C(NCc1nn[n-]n1)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC001584967898 1166391890 /nfs/dbraw/zinc/39/18/90/1166391890.db2.gz MWBYXZNZTKUXOI-UHFFFAOYSA-N -1 1 305.248 0.594 20 0 DCADMM CC(=O)N1CC[C@H](COC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001588812467 1166593998 /nfs/dbraw/zinc/59/39/98/1166593998.db2.gz LZUDDBOMGFOFAQ-VIFPVBQESA-N -1 1 305.294 0.485 20 0 DCADMM CC(=O)N1CC[C@H](COC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001588812467 1166594004 /nfs/dbraw/zinc/59/40/04/1166594004.db2.gz LZUDDBOMGFOFAQ-VIFPVBQESA-N -1 1 305.294 0.485 20 0 DCADMM CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588815864 1166598233 /nfs/dbraw/zinc/59/82/33/1166598233.db2.gz GQVXJIAHEZMTJL-BXKDBHETSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588815864 1166598239 /nfs/dbraw/zinc/59/82/39/1166598239.db2.gz GQVXJIAHEZMTJL-BXKDBHETSA-N -1 1 316.369 0.716 20 0 DCADMM CC(=O)N1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)[C@H](C)C1 ZINC001588824330 1166601254 /nfs/dbraw/zinc/60/12/54/1166601254.db2.gz HHWHGERDSJDDQC-MRVPVSSYSA-N -1 1 302.342 0.022 20 0 DCADMM CC(=O)N1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)[C@H](C)C1 ZINC001588824330 1166601260 /nfs/dbraw/zinc/60/12/60/1166601260.db2.gz HHWHGERDSJDDQC-MRVPVSSYSA-N -1 1 302.342 0.022 20 0 DCADMM CC(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588837968 1166602705 /nfs/dbraw/zinc/60/27/05/1166602705.db2.gz RRXPKFIIXZIXLV-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588837968 1166602713 /nfs/dbraw/zinc/60/27/13/1166602713.db2.gz RRXPKFIIXZIXLV-UHFFFAOYSA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588840330 1166606598 /nfs/dbraw/zinc/60/65/98/1166606598.db2.gz ZYJXDUAGBRQBRJ-ZJUUUORDSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588840330 1166606602 /nfs/dbraw/zinc/60/66/02/1166606602.db2.gz ZYJXDUAGBRQBRJ-ZJUUUORDSA-N -1 1 302.342 0.373 20 0 DCADMM CC(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588855318 1166608781 /nfs/dbraw/zinc/60/87/81/1166608781.db2.gz SKLFOXYOEGESTH-SNVBAGLBSA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588855318 1166608787 /nfs/dbraw/zinc/60/87/87/1166608787.db2.gz SKLFOXYOEGESTH-SNVBAGLBSA-N -1 1 302.342 0.152 20 0 DCADMM CC(=O)NCC1CCN(c2cc(C)nc(-c3nnn[n-]3)c2)CC1 ZINC001588855716 1166609737 /nfs/dbraw/zinc/60/97/37/1166609737.db2.gz XPUCYYJQDNPESO-UHFFFAOYSA-N -1 1 315.381 0.923 20 0 DCADMM CC(=O)NCC1CCN(c2cc(C)nc(-c3nn[n-]n3)c2)CC1 ZINC001588855716 1166609741 /nfs/dbraw/zinc/60/97/41/1166609741.db2.gz XPUCYYJQDNPESO-UHFFFAOYSA-N -1 1 315.381 0.923 20 0 DCADMM CC(=O)NCCCCCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001588861545 1166611739 /nfs/dbraw/zinc/61/17/39/1166611739.db2.gz JOBWAVNSXOGKEL-UHFFFAOYSA-N -1 1 319.369 0.347 20 0 DCADMM C[C@H](C(=O)N1C[C@@H]2CCCC[C@@H]2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588947981 1166621116 /nfs/dbraw/zinc/62/11/16/1166621116.db2.gz BNKCMFJYQAGOQP-MXWKQRLJSA-N -1 1 316.369 0.668 20 0 DCADMM C[C@H](C(=O)NC1(c2ccccc2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970173 1166624674 /nfs/dbraw/zinc/62/46/74/1166624674.db2.gz BMWMQHMWICZFGF-SNVBAGLBSA-N -1 1 324.348 0.825 20 0 DCADMM C[C@@H](C(=O)Nc1cc(F)ccc1F)n1cnc(-c2nn[n-]n2)n1 ZINC001589012322 1166629036 /nfs/dbraw/zinc/62/90/36/1166629036.db2.gz VPRQMLQTPGABHP-LURJTMIESA-N -1 1 320.263 0.936 20 0 DCADMM C[C@H](C(=O)OC[C@@]1(C)CC1(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001589027977 1166630549 /nfs/dbraw/zinc/63/05/49/1166630549.db2.gz SCXZJOVNYOGJFQ-LHLIQPBNSA-N -1 1 313.268 0.608 20 0 DCADMM C[C@H](C(=O)Oc1cccc(F)c1F)n1cnc(-c2nn[n-]n2)n1 ZINC001589032793 1166631213 /nfs/dbraw/zinc/63/12/13/1166631213.db2.gz RFORVKITXSQWCB-ZCFIWIBFSA-N -1 1 321.247 0.903 20 0 DCADMM CC(C)(C(=O)NCCNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001589050196 1166632941 /nfs/dbraw/zinc/63/29/41/1166632941.db2.gz OJYMMDROGYFJIB-UHFFFAOYSA-N -1 1 316.369 0.621 20 0 DCADMM CC(C)(C(=O)NCCNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001589050196 1166632948 /nfs/dbraw/zinc/63/29/48/1166632948.db2.gz OJYMMDROGYFJIB-UHFFFAOYSA-N -1 1 316.369 0.621 20 0 DCADMM CC(C)(C)[C@@H](O)C[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001589095153 1166635696 /nfs/dbraw/zinc/63/56/96/1166635696.db2.gz HHRQXZWRGIFOAS-WPRPVWTQSA-N -1 1 307.358 0.227 20 0 DCADMM CC(C)(C)[C@@H](O)C[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001589095153 1166635700 /nfs/dbraw/zinc/63/57/00/1166635700.db2.gz HHRQXZWRGIFOAS-WPRPVWTQSA-N -1 1 307.358 0.227 20 0 DCADMM CC(C)=CC(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001589360117 1166652012 /nfs/dbraw/zinc/65/20/12/1166652012.db2.gz BVWYISLMPCDTIN-JTQLQIEISA-N -1 1 316.369 0.564 20 0 DCADMM CC(C)=CC(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001589360117 1166652017 /nfs/dbraw/zinc/65/20/17/1166652017.db2.gz BVWYISLMPCDTIN-JTQLQIEISA-N -1 1 316.369 0.564 20 0 DCADMM CC(C)C(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001589401291 1166654750 /nfs/dbraw/zinc/65/47/50/1166654750.db2.gz IYAVQDFBQIHOPE-RKDXNWHRSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001589401291 1166654754 /nfs/dbraw/zinc/65/47/54/1166654754.db2.gz IYAVQDFBQIHOPE-RKDXNWHRSA-N -1 1 304.358 0.618 20 0 DCADMM CC(C)C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589403428 1166654986 /nfs/dbraw/zinc/65/49/86/1166654986.db2.gz GPVSARWBMVOBQC-ARJAWSKDSA-N -1 1 302.342 0.397 20 0 DCADMM CC(C)C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001589403428 1166654993 /nfs/dbraw/zinc/65/49/93/1166654993.db2.gz GPVSARWBMVOBQC-ARJAWSKDSA-N -1 1 302.342 0.397 20 0 DCADMM CC(C)C(C)(C)C(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001589422153 1166657535 /nfs/dbraw/zinc/65/75/35/1166657535.db2.gz OMUWYJJWEYYSGF-UHFFFAOYSA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)C(C)(C)C(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001589422153 1166657542 /nfs/dbraw/zinc/65/75/42/1166657542.db2.gz OMUWYJJWEYYSGF-UHFFFAOYSA-N -1 1 318.385 0.867 20 0 DCADMM CC(C)[C@H](O)CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589480367 1166661274 /nfs/dbraw/zinc/66/12/74/1166661274.db2.gz LOUDEJFLYCBPQV-MRVPVSSYSA-N -1 1 311.371 0.139 20 0 DCADMM CC(C)[C@H](O)CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589480367 1166661279 /nfs/dbraw/zinc/66/12/79/1166661279.db2.gz LOUDEJFLYCBPQV-MRVPVSSYSA-N -1 1 311.371 0.139 20 0 DCADMM CC(C)[C@@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589494239 1166663589 /nfs/dbraw/zinc/66/35/89/1166663589.db2.gz JHGFGONTRJIPRB-AWEZNQCLSA-N -1 1 303.370 0.892 20 0 DCADMM CC[C@H](CNC(=O)N[C@H]1CCCN2CCSC[C@H]12)C(=O)[O-] ZINC001589535207 1166665029 /nfs/dbraw/zinc/66/50/29/1166665029.db2.gz NHNICIQFGRBHQU-GRYCIOLGSA-N -1 1 315.439 0.976 20 0 DCADMM CC(C)CN(CC(N)=O)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589619078 1166668968 /nfs/dbraw/zinc/66/89/68/1166668968.db2.gz FSWBDRFJVCCSJG-UHFFFAOYSA-N -1 1 315.790 0.924 20 0 DCADMM CC(C)CN(CC(N)=O)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589619078 1166668973 /nfs/dbraw/zinc/66/89/73/1166668973.db2.gz FSWBDRFJVCCSJG-UHFFFAOYSA-N -1 1 315.790 0.924 20 0 DCADMM CC(C)OC[C@@H](CO)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589745682 1166681611 /nfs/dbraw/zinc/68/16/11/1166681611.db2.gz AECWTJYCBAEASP-SNVBAGLBSA-N -1 1 309.326 0.318 20 0 DCADMM CC(C)OC[C@@H](CO)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589745682 1166681616 /nfs/dbraw/zinc/68/16/16/1166681616.db2.gz AECWTJYCBAEASP-SNVBAGLBSA-N -1 1 309.326 0.318 20 0 DCADMM C[C@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CC1 ZINC001589830302 1166695149 /nfs/dbraw/zinc/69/51/49/1166695149.db2.gz KXPJYZVZOQENPY-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC1 ZINC001589830302 1166695154 /nfs/dbraw/zinc/69/51/54/1166695154.db2.gz KXPJYZVZOQENPY-MRVPVSSYSA-N -1 1 302.342 0.373 20 0 DCADMM C[C@H](CNC(=O)CCCF)Nc1nccnc1-c1nnn[n-]1 ZINC001589856005 1166699671 /nfs/dbraw/zinc/69/96/71/1166699671.db2.gz YEBLLUBVYUTHSJ-MRVPVSSYSA-N -1 1 308.321 0.323 20 0 DCADMM C[C@H](CNC(=O)CCCF)Nc1nccnc1-c1nn[n-]n1 ZINC001589856005 1166699675 /nfs/dbraw/zinc/69/96/75/1166699675.db2.gz YEBLLUBVYUTHSJ-MRVPVSSYSA-N -1 1 308.321 0.323 20 0 DCADMM C[C@@H](CN1CCCC1=O)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589849286 1166700439 /nfs/dbraw/zinc/70/04/39/1166700439.db2.gz OFSKAIZKNCQQIT-VIFPVBQESA-N -1 1 316.321 0.429 20 0 DCADMM C[C@@H](CN1CCCC1=O)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589849286 1166700445 /nfs/dbraw/zinc/70/04/45/1166700445.db2.gz OFSKAIZKNCQQIT-VIFPVBQESA-N -1 1 316.321 0.429 20 0 DCADMM C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589885514 1166708056 /nfs/dbraw/zinc/70/80/56/1166708056.db2.gz ATCFFIYOWWJRJC-GWCFXTLKSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589885514 1166708063 /nfs/dbraw/zinc/70/80/63/1166708063.db2.gz ATCFFIYOWWJRJC-GWCFXTLKSA-N -1 1 316.365 0.885 20 0 DCADMM C[C@@H](CS(C)(=O)=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589888599 1166710446 /nfs/dbraw/zinc/71/04/46/1166710446.db2.gz LZAITPSXGPUTKV-BYPYZUCNSA-N -1 1 322.803 0.822 20 0 DCADMM C[C@@H](CS(C)(=O)=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589888599 1166710451 /nfs/dbraw/zinc/71/04/51/1166710451.db2.gz LZAITPSXGPUTKV-BYPYZUCNSA-N -1 1 322.803 0.822 20 0 DCADMM C[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1ncnn1C ZINC001589938266 1166725047 /nfs/dbraw/zinc/72/50/47/1166725047.db2.gz FSBRCEJLBDSSHN-SSDOTTSWSA-N -1 1 314.313 0.273 20 0 DCADMM C[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1ncnn1C ZINC001589938266 1166725055 /nfs/dbraw/zinc/72/50/55/1166725055.db2.gz FSBRCEJLBDSSHN-SSDOTTSWSA-N -1 1 314.313 0.273 20 0 DCADMM C[C@@](O)(CC(=O)OCc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001589991425 1166738013 /nfs/dbraw/zinc/73/80/13/1166738013.db2.gz TZDYYAWCGAQYKD-GFCCVEGCSA-N -1 1 309.351 0.918 20 0 DCADMM C[C@@](O)(CC(=O)OCc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001589991425 1166738021 /nfs/dbraw/zinc/73/80/21/1166738021.db2.gz TZDYYAWCGAQYKD-GFCCVEGCSA-N -1 1 309.351 0.918 20 0 DCADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1nnc2ccccn21 ZINC001589986202 1166738032 /nfs/dbraw/zinc/73/80/32/1166738032.db2.gz AAHYCMPFBOEGOU-MRVPVSSYSA-N -1 1 308.309 0.294 20 0 DCADMM C[C@@H](O)[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001589994745 1166741388 /nfs/dbraw/zinc/74/13/88/1166741388.db2.gz IKZVEGRXXGETOB-ZJUUUORDSA-N -1 1 317.353 0.886 20 0 DCADMM C[C@@H](O)[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001589994745 1166741390 /nfs/dbraw/zinc/74/13/90/1166741390.db2.gz IKZVEGRXXGETOB-ZJUUUORDSA-N -1 1 317.353 0.886 20 0 DCADMM C[C@@H](O)[C@H]1CCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589997113 1166743693 /nfs/dbraw/zinc/74/36/93/1166743693.db2.gz QNPDFFNPOMLBJH-ZWNOBZJWSA-N -1 1 316.365 0.566 20 0 DCADMM C[C@@H](O)[C@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589997113 1166743699 /nfs/dbraw/zinc/74/36/99/1166743699.db2.gz QNPDFFNPOMLBJH-ZWNOBZJWSA-N -1 1 316.365 0.566 20 0 DCADMM CC(C)N(C)C(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590013103 1166754189 /nfs/dbraw/zinc/75/41/89/1166754189.db2.gz MNSSMSYDPQWPJJ-VIFPVBQESA-N -1 1 318.337 0.674 20 0 DCADMM CC(C)N(C)C(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590013103 1166754196 /nfs/dbraw/zinc/75/41/96/1166754196.db2.gz MNSSMSYDPQWPJJ-VIFPVBQESA-N -1 1 318.337 0.674 20 0 DCADMM C[C@]1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCCOC1 ZINC001590069432 1166764026 /nfs/dbraw/zinc/76/40/26/1166764026.db2.gz ZAYDMRMPLGCADD-LBPRGKRZSA-N -1 1 308.367 0.756 20 0 DCADMM C[C@]1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCCOC1 ZINC001590069432 1166764035 /nfs/dbraw/zinc/76/40/35/1166764035.db2.gz ZAYDMRMPLGCADD-LBPRGKRZSA-N -1 1 308.367 0.756 20 0 DCADMM CC1(C)C[C@H](Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)C(C)(C)O1 ZINC001590079817 1166769682 /nfs/dbraw/zinc/76/96/82/1166769682.db2.gz KGWNPOZOPCVMRW-MRVPVSSYSA-N -1 1 320.353 0.723 20 0 DCADMM CC1(C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)[C@@H]2COC[C@@H]21 ZINC001590103591 1166773312 /nfs/dbraw/zinc/77/33/12/1166773312.db2.gz AQOLCFAODGHDDH-VHSXEESVSA-N -1 1 303.322 0.957 20 0 DCADMM CC1(C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)[C@@H]2COC[C@@H]21 ZINC001590103591 1166773318 /nfs/dbraw/zinc/77/33/18/1166773318.db2.gz AQOLCFAODGHDDH-VHSXEESVSA-N -1 1 303.322 0.957 20 0 DCADMM CC1(C)CO[C@H](CNC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590110636 1166777859 /nfs/dbraw/zinc/77/78/59/1166777859.db2.gz CPVVYTIUYKDBQZ-JTQLQIEISA-N -1 1 302.338 0.807 20 0 DCADMM CC1(C)CO[C@H](CNC(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590110636 1166777862 /nfs/dbraw/zinc/77/78/62/1166777862.db2.gz CPVVYTIUYKDBQZ-JTQLQIEISA-N -1 1 302.338 0.807 20 0 DCADMM C[C@@]1(C2CC2)NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001590121963 1166781236 /nfs/dbraw/zinc/78/12/36/1166781236.db2.gz JOGMLXIXOPFAIT-LBPRGKRZSA-N -1 1 319.350 0.544 20 0 DCADMM C[C@@]1(C2CC2)NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001590121963 1166781243 /nfs/dbraw/zinc/78/12/43/1166781243.db2.gz JOGMLXIXOPFAIT-LBPRGKRZSA-N -1 1 319.350 0.544 20 0 DCADMM C[C@@]1(C2CC2)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC001590122288 1166783173 /nfs/dbraw/zinc/78/31/73/1166783173.db2.gz SRNVQEDIIJOMCY-HNNXBMFYSA-N -1 1 314.349 0.903 20 0 DCADMM C[C@@]1(C2CC2)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC001590122288 1166783181 /nfs/dbraw/zinc/78/31/81/1166783181.db2.gz SRNVQEDIIJOMCY-HNNXBMFYSA-N -1 1 314.349 0.903 20 0 DCADMM C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590167848 1166797550 /nfs/dbraw/zinc/79/75/50/1166797550.db2.gz PYUXKVBZUCASKK-IWSPIJDZSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590167848 1166797553 /nfs/dbraw/zinc/79/75/53/1166797553.db2.gz PYUXKVBZUCASKK-IWSPIJDZSA-N -1 1 318.337 0.539 20 0 DCADMM C[C@@H]1[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)CC(=O)N1C ZINC001590181236 1166800533 /nfs/dbraw/zinc/80/05/33/1166800533.db2.gz MYKNSGDKFNRBGA-XCBNKYQSSA-N -1 1 302.294 0.038 20 0 DCADMM C[C@@H]1[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)CC(=O)N1C ZINC001590181236 1166800536 /nfs/dbraw/zinc/80/05/36/1166800536.db2.gz MYKNSGDKFNRBGA-XCBNKYQSSA-N -1 1 302.294 0.038 20 0 DCADMM C[C@@H]1[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)CC(=O)N1C ZINC001590181252 1166800587 /nfs/dbraw/zinc/80/05/87/1166800587.db2.gz NEGHXGOMGNAGIP-RNFRBKRXSA-N -1 1 307.335 0.704 20 0 DCADMM C[C@@H]1[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)CC(=O)N1C ZINC001590181252 1166800596 /nfs/dbraw/zinc/80/05/96/1166800596.db2.gz NEGHXGOMGNAGIP-RNFRBKRXSA-N -1 1 307.335 0.704 20 0 DCADMM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)[C@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001590186191 1166802921 /nfs/dbraw/zinc/80/29/21/1166802921.db2.gz ADCZQAPYEMLBHK-YTWAJWBKSA-N -1 1 318.385 0.912 20 0 DCADMM C[C@@H]1CC(F)(F)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590190671 1166804762 /nfs/dbraw/zinc/80/47/62/1166804762.db2.gz BNBKHVHWJAADPL-SSDOTTSWSA-N -1 1 312.284 0.104 20 0 DCADMM C[C@H]1CC(NC(=O)c2cccc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001590201328 1166810605 /nfs/dbraw/zinc/81/06/05/1166810605.db2.gz ATMKNTHDHGIYPD-IUCAKERBSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@H]1CC(NC(=O)c2cccc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001590201328 1166810613 /nfs/dbraw/zinc/81/06/13/1166810613.db2.gz ATMKNTHDHGIYPD-IUCAKERBSA-N -1 1 302.338 0.948 20 0 DCADMM C[C@H]1CC[C@H](C(=O)NCCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001590222323 1166817429 /nfs/dbraw/zinc/81/74/29/1166817429.db2.gz GFJKUVSREGCZKH-UWVGGRQHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@H]1CC[C@H](C(=O)NCCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001590222323 1166817437 /nfs/dbraw/zinc/81/74/37/1166817437.db2.gz GFJKUVSREGCZKH-UWVGGRQHSA-N -1 1 316.369 0.621 20 0 DCADMM C[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CS1(=O)=O ZINC001590238418 1166825037 /nfs/dbraw/zinc/82/50/37/1166825037.db2.gz UCDNQJODZJYEOE-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CS1(=O)=O ZINC001590238418 1166825041 /nfs/dbraw/zinc/82/50/41/1166825041.db2.gz UCDNQJODZJYEOE-SFYZADRCSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@H]1CCC[C@H]1CC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001590252035 1166827026 /nfs/dbraw/zinc/82/70/26/1166827026.db2.gz YXWCDGBCWYESRL-UWVGGRQHSA-N -1 1 304.358 0.401 20 0 DCADMM C[C@H]1CCC[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC001590256396 1166829465 /nfs/dbraw/zinc/82/94/65/1166829465.db2.gz ZTXDMKWJICDDQX-IUCAKERBSA-N -1 1 319.369 0.255 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C[C@H]1CO ZINC001590268372 1166832430 /nfs/dbraw/zinc/83/24/30/1166832430.db2.gz WVRXXXHVBGQYGH-ZJUUUORDSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@@H]1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C[C@H]1CO ZINC001590268372 1166832431 /nfs/dbraw/zinc/83/24/31/1166832431.db2.gz WVRXXXHVBGQYGH-ZJUUUORDSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@H]1CO ZINC001590267046 1166833094 /nfs/dbraw/zinc/83/30/94/1166833094.db2.gz ISKCTWMLNUQCFZ-UWVGGRQHSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@H]1CO ZINC001590267046 1166833099 /nfs/dbraw/zinc/83/30/99/1166833099.db2.gz ISKCTWMLNUQCFZ-UWVGGRQHSA-N -1 1 317.353 0.744 20 0 DCADMM C[C@@H]1CCn2cc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)nc2C1 ZINC001590279074 1166840223 /nfs/dbraw/zinc/84/02/23/1166840223.db2.gz BRKVUSARDKCVPB-SSDOTTSWSA-N -1 1 313.325 0.621 20 0 DCADMM C[C@@H]1CCn2cc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)nc2C1 ZINC001590279074 1166840230 /nfs/dbraw/zinc/84/02/30/1166840230.db2.gz BRKVUSARDKCVPB-SSDOTTSWSA-N -1 1 313.325 0.621 20 0 DCADMM C[C@@H]1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001590298387 1166845732 /nfs/dbraw/zinc/84/57/32/1166845732.db2.gz WDXGINKUZPKWJS-LHLIQPBNSA-N -1 1 309.276 0.598 20 0 DCADMM C[C@@H]1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C[C@H]1O ZINC001590298387 1166845739 /nfs/dbraw/zinc/84/57/39/1166845739.db2.gz WDXGINKUZPKWJS-LHLIQPBNSA-N -1 1 309.276 0.598 20 0 DCADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC2(CCOCC2)O1 ZINC001590314262 1166860539 /nfs/dbraw/zinc/86/05/39/1166860539.db2.gz AYDXOSWQWLZQSC-SNVBAGLBSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC2(CCOCC2)O1 ZINC001590314262 1166860543 /nfs/dbraw/zinc/86/05/43/1166860543.db2.gz AYDXOSWQWLZQSC-SNVBAGLBSA-N -1 1 317.353 0.431 20 0 DCADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](C)S1(=O)=O ZINC001590315464 1166860673 /nfs/dbraw/zinc/86/06/73/1166860673.db2.gz MKBJZERFSVPLKI-DTORHVGOSA-N -1 1 308.367 0.274 20 0 DCADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](C)S1(=O)=O ZINC001590315464 1166860680 /nfs/dbraw/zinc/86/06/80/1166860680.db2.gz MKBJZERFSVPLKI-DTORHVGOSA-N -1 1 308.367 0.274 20 0 DCADMM C[C@H]1OCC[C@]12CN(c1cncc(-c3nnn[n-]3)n1)C[C@@H](C)O2 ZINC001590317319 1166862461 /nfs/dbraw/zinc/86/24/61/1166862461.db2.gz XPBVNSKIVMISKX-RULNRJAQSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@H]1OCC[C@]12CN(c1cncc(-c3nn[n-]n3)n1)C[C@@H](C)O2 ZINC001590317319 1166862466 /nfs/dbraw/zinc/86/24/66/1166862466.db2.gz XPBVNSKIVMISKX-RULNRJAQSA-N -1 1 317.353 0.429 20 0 DCADMM C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590323154 1166865946 /nfs/dbraw/zinc/86/59/46/1166865946.db2.gz LLNDNIRQIZUKPB-JGVFFNPUSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590323154 1166865951 /nfs/dbraw/zinc/86/59/51/1166865951.db2.gz LLNDNIRQIZUKPB-JGVFFNPUSA-N -1 1 309.351 0.150 20 0 DCADMM C[C@@H]1COCCN1CCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590324646 1166866648 /nfs/dbraw/zinc/86/66/48/1166866648.db2.gz BPAUFVAZSALOGA-SECBINFHSA-N -1 1 322.394 0.379 20 0 DCADMM C[C@@H]1COCCN1CCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590324646 1166866654 /nfs/dbraw/zinc/86/66/54/1166866654.db2.gz BPAUFVAZSALOGA-SECBINFHSA-N -1 1 322.394 0.379 20 0 DCADMM C[C@@H]1COCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590326823 1166868743 /nfs/dbraw/zinc/86/87/43/1166868743.db2.gz VPGXIICBJXLISO-QMMMGPOBSA-N -1 1 323.382 0.501 20 0 DCADMM C[C@@H]1COCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590326823 1166868746 /nfs/dbraw/zinc/86/87/46/1166868746.db2.gz VPGXIICBJXLISO-QMMMGPOBSA-N -1 1 323.382 0.501 20 0 DCADMM C[C@H]1OCC[C@]1(C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590333892 1166871550 /nfs/dbraw/zinc/87/15/50/1166871550.db2.gz LNNGYPXNFKRODU-OQPBUACISA-N -1 1 303.326 0.951 20 0 DCADMM C[C@H]1OCC[C@]1(C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590333892 1166871556 /nfs/dbraw/zinc/87/15/56/1166871556.db2.gz LNNGYPXNFKRODU-OQPBUACISA-N -1 1 303.326 0.951 20 0 DCADMM C[C@H]1c2nncn2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590340076 1166876286 /nfs/dbraw/zinc/87/62/86/1166876286.db2.gz ZSPVORGOPPMPHM-QMMMGPOBSA-N -1 1 311.309 0.070 20 0 DCADMM C[C@H]1c2nncn2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590340076 1166876297 /nfs/dbraw/zinc/87/62/97/1166876297.db2.gz ZSPVORGOPPMPHM-QMMMGPOBSA-N -1 1 311.309 0.070 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001590354497 1166880886 /nfs/dbraw/zinc/88/08/86/1166880886.db2.gz LPOPABOFECEWLV-FWAPLPHYSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C(/C)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001590354497 1166880893 /nfs/dbraw/zinc/88/08/93/1166880893.db2.gz LPOPABOFECEWLV-FWAPLPHYSA-N -1 1 316.369 0.930 20 0 DCADMM C/C=C\C[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590353067 1166882193 /nfs/dbraw/zinc/88/21/93/1166882193.db2.gz NPGCZIRVGRUADX-VEMNSZJBSA-N -1 1 306.330 0.049 20 0 DCADMM C/C=C\C[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590353067 1166882201 /nfs/dbraw/zinc/88/22/01/1166882201.db2.gz NPGCZIRVGRUADX-VEMNSZJBSA-N -1 1 306.330 0.049 20 0 DCADMM CC=CC[C@H]1NC(=O)N(Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001590354788 1166882648 /nfs/dbraw/zinc/88/26/48/1166882648.db2.gz MYCNKHUICXYRSV-SKRYNEFJSA-N -1 1 319.350 0.710 20 0 DCADMM CC=CC[C@H]1NC(=O)N(Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001590354788 1166882654 /nfs/dbraw/zinc/88/26/54/1166882654.db2.gz MYCNKHUICXYRSV-SKRYNEFJSA-N -1 1 319.350 0.710 20 0 DCADMM CCC(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590361033 1166885364 /nfs/dbraw/zinc/88/53/64/1166885364.db2.gz KMPQUPZURCROFN-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590361033 1166885367 /nfs/dbraw/zinc/88/53/67/1166885367.db2.gz KMPQUPZURCROFN-SNVBAGLBSA-N -1 1 316.369 0.717 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001590375029 1166891218 /nfs/dbraw/zinc/89/12/18/1166891218.db2.gz PFRSCIFUPQBVIB-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001590375029 1166891223 /nfs/dbraw/zinc/89/12/23/1166891223.db2.gz PFRSCIFUPQBVIB-SNVBAGLBSA-N -1 1 316.369 0.542 20 0 DCADMM CCC(C)(C)C(=O)COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590372092 1166891337 /nfs/dbraw/zinc/89/13/37/1166891337.db2.gz ONZUIORDZXALSG-QMMMGPOBSA-N -1 1 321.341 0.568 20 0 DCADMM CC[C@@H](C)C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001590394980 1166897530 /nfs/dbraw/zinc/89/75/30/1166897530.db2.gz JSFYNPWATSFLIA-ORAHPGNNSA-N -1 1 316.369 0.787 20 0 DCADMM CC[C@@H](C)C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001590394980 1166897535 /nfs/dbraw/zinc/89/75/35/1166897535.db2.gz JSFYNPWATSFLIA-ORAHPGNNSA-N -1 1 316.369 0.787 20 0 DCADMM CC[C@H](C)C[C@@H](C)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590407279 1166899370 /nfs/dbraw/zinc/89/93/70/1166899370.db2.gz YKLXYMQLEIENRD-AEJSXWLSSA-N -1 1 306.374 0.960 20 0 DCADMM CC[C@@H](C)CN(CC)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590410201 1166901202 /nfs/dbraw/zinc/90/12/02/1166901202.db2.gz JZSKCQDYKQAIIA-ZJUUUORDSA-N -1 1 306.374 0.914 20 0 DCADMM CC[C@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)OC ZINC001590443871 1166908231 /nfs/dbraw/zinc/90/82/31/1166908231.db2.gz HHOGLGKYBKNRQA-MRVPVSSYSA-N -1 1 304.310 0.191 20 0 DCADMM CC[C@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)OC ZINC001590443871 1166908237 /nfs/dbraw/zinc/90/82/37/1166908237.db2.gz HHOGLGKYBKNRQA-MRVPVSSYSA-N -1 1 304.310 0.191 20 0 DCADMM CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H](O)C(C)C ZINC001590460219 1166915181 /nfs/dbraw/zinc/91/51/81/1166915181.db2.gz ZJXCUPVOHPPSFZ-CABZTGNLSA-N -1 1 304.354 0.787 20 0 DCADMM CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H](O)C(C)C ZINC001590460219 1166915183 /nfs/dbraw/zinc/91/51/83/1166915183.db2.gz ZJXCUPVOHPPSFZ-CABZTGNLSA-N -1 1 304.354 0.787 20 0 DCADMM CC[C@H](O)CCNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001590476391 1166919108 /nfs/dbraw/zinc/91/91/08/1166919108.db2.gz VRDZJNATDJSOQQ-QMMMGPOBSA-N -1 1 306.326 0.167 20 0 DCADMM CC[C@]1(O)CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590501598 1166928425 /nfs/dbraw/zinc/92/84/25/1166928425.db2.gz YZQHPQDMTBYDRS-ZDUSSCGKSA-N -1 1 303.326 0.640 20 0 DCADMM CC[C@]1(O)CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590501598 1166928433 /nfs/dbraw/zinc/92/84/33/1166928433.db2.gz YZQHPQDMTBYDRS-ZDUSSCGKSA-N -1 1 303.326 0.640 20 0 DCADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590511855 1166928524 /nfs/dbraw/zinc/92/85/24/1166928524.db2.gz QJQGQDURFQCYNP-VHSXEESVSA-N -1 1 304.358 0.810 20 0 DCADMM CC[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001590506520 1166929059 /nfs/dbraw/zinc/92/90/59/1166929059.db2.gz UDWBSHGQXGOHAE-GHMZBOCLSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001590506520 1166929064 /nfs/dbraw/zinc/92/90/64/1166929064.db2.gz UDWBSHGQXGOHAE-GHMZBOCLSA-N -1 1 302.338 0.949 20 0 DCADMM CC[C@H]1CN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CCCO1 ZINC001590516961 1166930776 /nfs/dbraw/zinc/93/07/76/1166930776.db2.gz LJEPBWLXGBSZNR-UWVGGRQHSA-N -1 1 320.357 0.047 20 0 DCADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590524742 1166934293 /nfs/dbraw/zinc/93/42/93/1166934293.db2.gz RZTAJSZAISFDLH-VHSXEESVSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590524742 1166934303 /nfs/dbraw/zinc/93/43/03/1166934303.db2.gz RZTAJSZAISFDLH-VHSXEESVSA-N -1 1 302.338 0.901 20 0 DCADMM CC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H](C)[S@@]1=O ZINC001590524376 1166934666 /nfs/dbraw/zinc/93/46/66/1166934666.db2.gz QIKPBCXHOFXKRE-JYFUKTADSA-N -1 1 307.383 0.393 20 0 DCADMM CC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H](C)[S@@]1=O ZINC001590524376 1166934674 /nfs/dbraw/zinc/93/46/74/1166934674.db2.gz QIKPBCXHOFXKRE-JYFUKTADSA-N -1 1 307.383 0.393 20 0 DCADMM CCCC(=O)NC[C@H](CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590536424 1166935314 /nfs/dbraw/zinc/93/53/14/1166935314.db2.gz HZJGLXHGQPEXGH-VIFPVBQESA-N -1 1 304.358 0.185 20 0 DCADMM CCCC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590536671 1166940350 /nfs/dbraw/zinc/94/03/50/1166940350.db2.gz LYJPOTSMXTZXAC-RKDXNWHRSA-N -1 1 304.358 0.184 20 0 DCADMM CCCCC(=O)COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590570363 1166947469 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1166957860 /nfs/dbraw/zinc/95/78/60/1166957860.db2.gz YYQLEZQZUYALPT-UHFFFAOYSA-N -1 1 301.354 0.710 20 0 DCADMM CCCN1CCCN(c2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC001590636201 1166957863 /nfs/dbraw/zinc/95/78/63/1166957863.db2.gz YYQLEZQZUYALPT-UHFFFAOYSA-N -1 1 301.354 0.710 20 0 DCADMM CCN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@@H]1CCNC1=O ZINC001590676105 1166964914 /nfs/dbraw/zinc/96/49/14/1166964914.db2.gz HPOBFDWXXFZORD-MRVPVSSYSA-N -1 1 306.351 0.279 20 0 DCADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)o1)C(C)(C)C(=O)OC ZINC001590673324 1166964928 /nfs/dbraw/zinc/96/49/28/1166964928.db2.gz FSBPBVXIUMGOGK-UHFFFAOYSA-N -1 1 307.310 0.873 20 0 DCADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)o1)C(C)(C)C(=O)OC ZINC001590673324 1166964933 /nfs/dbraw/zinc/96/49/33/1166964933.db2.gz FSBPBVXIUMGOGK-UHFFFAOYSA-N -1 1 307.310 0.873 20 0 DCADMM CCN(CC)C(=O)CN(C)c1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590684054 1166974156 /nfs/dbraw/zinc/97/41/56/1166974156.db2.gz MHGXWCPOUFHJOZ-UHFFFAOYSA-N -1 1 303.370 0.875 20 0 DCADMM CCN(CC)C(=O)CN(C)c1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590684054 1166974163 /nfs/dbraw/zinc/97/41/63/1166974163.db2.gz MHGXWCPOUFHJOZ-UHFFFAOYSA-N -1 1 303.370 0.875 20 0 DCADMM CCOC(=O)[C@H](C)C1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001590752616 1167004926 /nfs/dbraw/zinc/00/49/26/1167004926.db2.gz WLISIOYXPBXYKK-SECBINFHSA-N -1 1 317.353 0.601 20 0 DCADMM CCOC(=O)[C@H](C)C1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001590752616 1167004933 /nfs/dbraw/zinc/00/49/33/1167004933.db2.gz WLISIOYXPBXYKK-SECBINFHSA-N -1 1 317.353 0.601 20 0 DCADMM CCOC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001590752737 1167005344 /nfs/dbraw/zinc/00/53/44/1167005344.db2.gz GRDXPVBKQDTGRZ-JTQLQIEISA-N -1 1 305.294 0.531 20 0 DCADMM CCOC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001590752737 1167005348 /nfs/dbraw/zinc/00/53/48/1167005348.db2.gz GRDXPVBKQDTGRZ-JTQLQIEISA-N -1 1 305.294 0.531 20 0 DCADMM CCOC(=O)[C@@H](C)C1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001590752622 1167005919 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CCOC(=O)N1CCC(Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590767773 1167014294 /nfs/dbraw/zinc/01/42/94/1167014294.db2.gz SJHQQWITIISAOR-UHFFFAOYSA-N -1 1 317.353 0.716 20 0 DCADMM CCOC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590767773 1167014300 /nfs/dbraw/zinc/01/43/00/1167014300.db2.gz SJHQQWITIISAOR-UHFFFAOYSA-N -1 1 317.353 0.716 20 0 DCADMM CCOC(=O)c1cnn(Cc2cnns2)c1-c1nn[n-]n1 ZINC001590775515 1167015047 /nfs/dbraw/zinc/01/50/47/1167015047.db2.gz MJIYPQBBKZIGEW-UHFFFAOYSA-N -1 1 306.311 0.140 20 0 DCADMM CCOC(=O)[C@H]1CCCN1c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001590771534 1167016008 /nfs/dbraw/zinc/01/60/08/1167016008.db2.gz XOGXFCSGYUQFMF-SNVBAGLBSA-N -1 1 317.353 0.751 20 0 DCADMM CCOC(=O)[C@H]1CCCN1c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001590771534 1167016010 /nfs/dbraw/zinc/01/60/10/1167016010.db2.gz XOGXFCSGYUQFMF-SNVBAGLBSA-N -1 1 317.353 0.751 20 0 DCADMM CCOC[C@@H]1CCN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)C1 ZINC001590801903 1167025321 /nfs/dbraw/zinc/02/53/21/1167025321.db2.gz 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CCn1cc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)nn1 ZINC001590953105 1167057116 /nfs/dbraw/zinc/05/71/16/1167057116.db2.gz GSNMKMRVGFDVKI-UHFFFAOYSA-N -1 1 316.300 0.547 20 0 DCADMM CCn1cc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)nn1 ZINC001590953105 1167057121 /nfs/dbraw/zinc/05/71/21/1167057121.db2.gz GSNMKMRVGFDVKI-UHFFFAOYSA-N -1 1 316.300 0.547 20 0 DCADMM CCn1nnc(C)c1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590970790 1167061895 /nfs/dbraw/zinc/06/18/95/1167061895.db2.gz BKEQCNUGHOIGOL-UHFFFAOYSA-N -1 1 313.325 0.112 20 0 DCADMM CCn1nnc(C)c1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590970790 1167061899 /nfs/dbraw/zinc/06/18/99/1167061899.db2.gz BKEQCNUGHOIGOL-UHFFFAOYSA-N -1 1 313.325 0.112 20 0 DCADMM CN(C(=O)COC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590982608 1167066283 /nfs/dbraw/zinc/06/62/83/1167066283.db2.gz DXKAPZPHZKHWHG-LLVKDONJSA-N -1 1 318.337 0.420 20 0 DCADMM CN(C(=O)COC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590982608 1167066287 /nfs/dbraw/zinc/06/62/87/1167066287.db2.gz 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NOFZNTPMVQMIKK-SNVBAGLBSA-N -1 1 303.326 0.017 20 0 DCADMM COC[C@H]1CCCN1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591394151 1167261564 /nfs/dbraw/zinc/26/15/64/1167261564.db2.gz NOFZNTPMVQMIKK-SNVBAGLBSA-N -1 1 303.326 0.017 20 0 DCADMM COC[C@@H]1CCCN(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)C1 ZINC001591392997 1167262296 /nfs/dbraw/zinc/26/22/96/1167262296.db2.gz RGLJEPCXLZVEGA-GFCCVEGCSA-N -1 1 318.381 0.653 20 0 DCADMM COCCCN(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591413746 1167272900 /nfs/dbraw/zinc/27/29/00/1167272900.db2.gz XRQHCDLMVHZEFR-UHFFFAOYSA-N -1 1 311.371 0.501 20 0 DCADMM COCCCN(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591413746 1167272905 /nfs/dbraw/zinc/27/29/05/1167272905.db2.gz XRQHCDLMVHZEFR-UHFFFAOYSA-N -1 1 311.371 0.501 20 0 DCADMM COCCNS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001591431189 1167285199 /nfs/dbraw/zinc/28/51/99/1167285199.db2.gz CTZUJCIOIINBTR-UHFFFAOYSA-N -1 1 315.330 0.239 20 0 DCADMM COCCO[C@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591434693 1167287035 /nfs/dbraw/zinc/28/70/35/1167287035.db2.gz TXAXKBNENJHNOR-NSHDSACASA-N -1 1 318.337 0.139 20 0 DCADMM COCCO[C@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001591434693 1167287042 /nfs/dbraw/zinc/28/70/42/1167287042.db2.gz TXAXKBNENJHNOR-NSHDSACASA-N -1 1 318.337 0.139 20 0 DCADMM COCCOCCCCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591438730 1167287507 /nfs/dbraw/zinc/28/75/07/1167287507.db2.gz ZJNPPTBWNMPNAI-UHFFFAOYSA-N -1 1 309.326 0.633 20 0 DCADMM COCCOCCCCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591438730 1167287513 /nfs/dbraw/zinc/28/75/13/1167287513.db2.gz ZJNPPTBWNMPNAI-UHFFFAOYSA-N -1 1 309.326 0.633 20 0 DCADMM CO[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001591474624 1167304755 /nfs/dbraw/zinc/30/47/55/1167304755.db2.gz LQAJIJKPSZHJLA-LJGSYFOKSA-N -1 1 315.380 0.384 20 0 DCADMM CO[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001591474624 1167304766 /nfs/dbraw/zinc/30/47/66/1167304766.db2.gz LQAJIJKPSZHJLA-LJGSYFOKSA-N -1 1 315.380 0.384 20 0 DCADMM COc1c2ccccc2[nH]c1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001591476642 1167307310 /nfs/dbraw/zinc/30/73/10/1167307310.db2.gz YBFUPSLRYUHDKG-UHFFFAOYSA-N -1 1 324.304 0.824 20 0 DCADMM COc1c(F)nccc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591476134 1167307357 /nfs/dbraw/zinc/30/73/57/1167307357.db2.gz OMQKGJNUEUAGAU-UHFFFAOYSA-N -1 1 318.272 0.395 20 0 DCADMM COc1c(F)nccc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591476134 1167307365 /nfs/dbraw/zinc/30/73/65/1167307365.db2.gz OMQKGJNUEUAGAU-UHFFFAOYSA-N -1 1 318.272 0.395 20 0 DCADMM CO[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591475015 1167307378 /nfs/dbraw/zinc/30/73/78/1167307378.db2.gz UMYRRLKEYWLZQJ-UTLUCORTSA-N -1 1 320.357 0.093 20 0 DCADMM COc1cc(OS(=O)(=O)c2c[n-]cn2)ccc1-c1nn[nH]n1 ZINC001591553226 1167329166 /nfs/dbraw/zinc/32/91/66/1167329166.db2.gz AQQJWGOGDPEEDS-UHFFFAOYSA-N -1 1 322.306 0.366 20 0 DCADMM COc1ncc(C=CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cn1 ZINC001591662767 1167342822 /nfs/dbraw/zinc/34/28/22/1167342822.db2.gz FIHSQADTAVXXSU-IHWYPQMZSA-N -1 1 313.281 0.040 20 0 DCADMM COc1ncc(C=CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cn1 ZINC001591662767 1167342829 /nfs/dbraw/zinc/34/28/29/1167342829.db2.gz FIHSQADTAVXXSU-IHWYPQMZSA-N -1 1 313.281 0.040 20 0 DCADMM COc1ncc(NC(=O)C(C)(C)OC(C)=O)cc1-c1nn[n-]n1 ZINC001591663253 1167343351 /nfs/dbraw/zinc/34/33/51/1167343351.db2.gz MEIDISLUTGYAMD-UHFFFAOYSA-N -1 1 320.309 0.551 20 0 DCADMM CS(=O)(=O)CC1(CCNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001591673697 1167348223 /nfs/dbraw/zinc/34/82/23/1167348223.db2.gz VCRDEGGTBAXRIL-UHFFFAOYSA-N -1 1 322.394 0.889 20 0 DCADMM CS(=O)(=O)CC1(CCNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001591673697 1167348229 /nfs/dbraw/zinc/34/82/29/1167348229.db2.gz VCRDEGGTBAXRIL-UHFFFAOYSA-N -1 1 322.394 0.889 20 0 DCADMM CS[C@@H](C)CCC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001591690275 1167354251 /nfs/dbraw/zinc/35/42/51/1167354251.db2.gz WHVRDIDVXXBVPP-QMMMGPOBSA-N -1 1 310.387 0.106 20 0 DCADMM CSCC[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)C(N)=O ZINC001591701618 1167357676 /nfs/dbraw/zinc/35/76/76/1167357676.db2.gz XZDMWPNAPITFOO-QMMMGPOBSA-N -1 1 324.366 0.105 20 0 DCADMM CSCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)C(N)=O ZINC001591701618 1167357681 /nfs/dbraw/zinc/35/76/81/1167357681.db2.gz XZDMWPNAPITFOO-QMMMGPOBSA-N -1 1 324.366 0.105 20 0 DCADMM C[C@@H](CF)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC001591723161 1167360907 /nfs/dbraw/zinc/36/09/07/1167360907.db2.gz PCDXUXFTHIKNMM-LURJTMIESA-N -1 1 303.294 0.642 20 0 DCADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CC=CC1 ZINC001591764611 1167369928 /nfs/dbraw/zinc/36/99/28/1167369928.db2.gz RBGFQNHQYDSUFB-SECBINFHSA-N -1 1 314.353 0.540 20 0 DCADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CC=CC1 ZINC001591764611 1167369942 /nfs/dbraw/zinc/36/99/42/1167369942.db2.gz RBGFQNHQYDSUFB-SECBINFHSA-N -1 1 314.353 0.540 20 0 DCADMM C[C@H]1[C@@H](O)CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591775895 1167374712 /nfs/dbraw/zinc/37/47/12/1167374712.db2.gz LVMOAFAVAWZTSN-WPRPVWTQSA-N -1 1 303.326 0.639 20 0 DCADMM C[C@H]1[C@@H](O)CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591775895 1167374716 /nfs/dbraw/zinc/37/47/16/1167374716.db2.gz LVMOAFAVAWZTSN-WPRPVWTQSA-N -1 1 303.326 0.639 20 0 DCADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1CC1 ZINC001591787056 1167382189 /nfs/dbraw/zinc/38/21/89/1167382189.db2.gz HGAJCFMNAQJKCS-UHFFFAOYSA-N -1 1 302.338 0.795 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc3cccn3cn2)nn1C ZINC001591797692 1167382666 /nfs/dbraw/zinc/38/26/66/1167382666.db2.gz PQWLMVXQELCJOM-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc3cccn3cn2)nn1C ZINC001591797692 1167382669 /nfs/dbraw/zinc/38/26/69/1167382669.db2.gz PQWLMVXQELCJOM-UHFFFAOYSA-N -1 1 323.320 0.809 20 0 DCADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CCOC[C@@H]2C)nn1C ZINC001591797707 1167384209 /nfs/dbraw/zinc/38/42/09/1167384209.db2.gz AOHBKZNHZYIFSO-CBAPKCEASA-N -1 1 305.342 0.520 20 0 DCADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CCOC[C@@H]2C)nn1C ZINC001591797707 1167384215 /nfs/dbraw/zinc/38/42/15/1167384215.db2.gz AOHBKZNHZYIFSO-CBAPKCEASA-N -1 1 305.342 0.520 20 0 DCADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC[C@@H]2COC(C)(C)O2)c1 ZINC001591836922 1167389735 /nfs/dbraw/zinc/38/97/35/1167389735.db2.gz OFKLUHBWYAYMLM-SNVBAGLBSA-N -1 1 305.338 0.878 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCC[C@@H]2O)n1 ZINC001591883234 1167409956 /nfs/dbraw/zinc/40/99/56/1167409956.db2.gz DBTIHIJRUBHMFO-JQWIXIFHSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCC[C@@H]2O)n1 ZINC001591883234 1167409959 /nfs/dbraw/zinc/40/99/59/1167409959.db2.gz DBTIHIJRUBHMFO-JQWIXIFHSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](C3OCCO3)C2)n1 ZINC001591889595 1167410969 /nfs/dbraw/zinc/41/09/69/1167410969.db2.gz UFCFOLPTCZRMGQ-SNVBAGLBSA-N -1 1 317.353 0.554 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](C3OCCO3)C2)n1 ZINC001591889595 1167410972 /nfs/dbraw/zinc/41/09/72/1167410972.db2.gz UFCFOLPTCZRMGQ-SNVBAGLBSA-N -1 1 317.353 0.554 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C)[C@H]2CCO)n1 ZINC001591889295 1167411865 /nfs/dbraw/zinc/41/18/65/1167411865.db2.gz PEMFYFCVMFYYFK-JOYOIKCWSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C)[C@H]2CCO)n1 ZINC001591889295 1167411867 /nfs/dbraw/zinc/41/18/67/1167411867.db2.gz PEMFYFCVMFYYFK-JOYOIKCWSA-N -1 1 303.370 0.952 20 0 DCADMM Cc1[nH]nc(NC(=O)c2c[nH]c(C)cc2=O)c1-c1nn[n-]n1 ZINC001591903237 1167415071 /nfs/dbraw/zinc/41/50/71/1167415071.db2.gz OALXHYONGXXRMS-UHFFFAOYSA-N -1 1 300.282 0.147 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(NCc2nc(C(N)=O)cs2)n1 ZINC001591900845 1167416776 /nfs/dbraw/zinc/41/67/76/1167416776.db2.gz FKPYHVSRLKDVOK-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(NCc2nc(C(N)=O)cs2)n1 ZINC001591900845 1167416778 /nfs/dbraw/zinc/41/67/78/1167416778.db2.gz FKPYHVSRLKDVOK-UHFFFAOYSA-N -1 1 317.338 0.133 20 0 DCADMM Cc1cc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)n(C)n1 ZINC001591935384 1167419730 /nfs/dbraw/zinc/41/97/30/1167419730.db2.gz NPFLSFNWNSLLMH-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1cc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)n(C)n1 ZINC001591935384 1167419734 /nfs/dbraw/zinc/41/97/34/1167419734.db2.gz NPFLSFNWNSLLMH-UHFFFAOYSA-N -1 1 304.339 0.926 20 0 DCADMM Cc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c(C)nn1 ZINC001591929354 1167420420 /nfs/dbraw/zinc/42/04/20/1167420420.db2.gz YWHNLBZHPYGKMX-UHFFFAOYSA-N -1 1 316.350 0.660 20 0 DCADMM Cc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c(C)nn1 ZINC001591929354 1167420426 /nfs/dbraw/zinc/42/04/26/1167420426.db2.gz YWHNLBZHPYGKMX-UHFFFAOYSA-N -1 1 316.350 0.660 20 0 DCADMM Cc1cc2nc(C)cc(C(=O)Nc3c[nH]nc3-c3nn[n-]n3)n2n1 ZINC001591934044 1167420797 /nfs/dbraw/zinc/42/07/97/1167420797.db2.gz KMJUIOFGQLRIEW-UHFFFAOYSA-N -1 1 324.308 0.502 20 0 DCADMM Cc1cc(CCNC(=O)c2ccnc(-c3nnn[n-]3)c2)nn1C ZINC001591961554 1167426089 /nfs/dbraw/zinc/42/60/89/1167426089.db2.gz MDPUMBKFPBPDMP-UHFFFAOYSA-N -1 1 312.337 0.276 20 0 DCADMM Cc1cc(CCNC(=O)c2ccnc(-c3nn[n-]n3)c2)nn1C ZINC001591961554 1167426094 /nfs/dbraw/zinc/42/60/94/1167426094.db2.gz MDPUMBKFPBPDMP-UHFFFAOYSA-N -1 1 312.337 0.276 20 0 DCADMM Cc1cc(N2C[C@@H](C)O[C@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001591999627 1167433011 /nfs/dbraw/zinc/43/30/11/1167433011.db2.gz RCYWFFGYFJJNSH-IAQYHMDHSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(N2C[C@@H](C)O[C@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001591999627 1167433015 /nfs/dbraw/zinc/43/30/15/1167433015.db2.gz RCYWFFGYFJJNSH-IAQYHMDHSA-N -1 1 316.365 0.954 20 0 DCADMM Cc1cc(N2CC[S@](=O)C[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001592009120 1167434804 /nfs/dbraw/zinc/43/48/04/1167434804.db2.gz SFLGKLJYLUENPJ-FPVGNUTFSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1cc(N2CC[S@](=O)C[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001592009120 1167434805 /nfs/dbraw/zinc/43/48/05/1167434805.db2.gz SFLGKLJYLUENPJ-FPVGNUTFSA-N -1 1 306.395 0.775 20 0 DCADMM Cc1cc(NC(=O)CN(C)c2ccnc(-c3nn[n-]n3)n2)no1 ZINC001592017069 1167437135 /nfs/dbraw/zinc/43/71/35/1167437135.db2.gz DRRYNWDZVYMYSF-UHFFFAOYSA-N -1 1 315.297 0.028 20 0 DCADMM Cc1cc(N[C@H](CO)[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001592035745 1167440695 /nfs/dbraw/zinc/44/06/95/1167440695.db2.gz SCLSFJBPOUGXJC-ZWNOBZJWSA-N -1 1 304.354 0.191 20 0 DCADMM Cc1cc(N[C@H](CO)[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001592035745 1167440700 /nfs/dbraw/zinc/44/07/00/1167440700.db2.gz SCLSFJBPOUGXJC-ZWNOBZJWSA-N -1 1 304.354 0.191 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N(CC3CC3)C2)nc(-c2nnn[n-]2)c1 ZINC001592035846 1167441730 /nfs/dbraw/zinc/44/17/30/1167441730.db2.gz BHZMKJIGQYOQSM-LLVKDONJSA-N -1 1 313.365 0.993 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N(CC3CC3)C2)nc(-c2nn[n-]n2)c1 ZINC001592035846 1167441735 /nfs/dbraw/zinc/44/17/35/1167441735.db2.gz BHZMKJIGQYOQSM-LLVKDONJSA-N -1 1 313.365 0.993 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc(-c2nnn[n-]2)n1 ZINC001592036277 1167442612 /nfs/dbraw/zinc/44/26/12/1167442612.db2.gz POIMGLKDBXXWHS-KDDOJWQBSA-N -1 1 313.365 0.413 20 0 DCADMM Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc(-c2nn[n-]n2)n1 ZINC001592036277 1167442618 /nfs/dbraw/zinc/44/26/18/1167442618.db2.gz POIMGLKDBXXWHS-KDDOJWQBSA-N -1 1 313.365 0.413 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1N1CC[C@@H](C(=O)N(C)C)C1 ZINC001592110799 1167457427 /nfs/dbraw/zinc/45/74/27/1167457427.db2.gz UUYWURVSJDOFED-SNVBAGLBSA-N -1 1 301.354 0.485 20 0 DCADMM Cc1ccc(-c2nn[n-]n2)nc1NCC(=O)N1CCCCC1 ZINC001592114637 1167458638 /nfs/dbraw/zinc/45/86/38/1167458638.db2.gz RQUPIIPMTDEICC-UHFFFAOYSA-N -1 1 301.354 0.995 20 0 DCADMM Cc1ccc(C(N)=O)cc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592136311 1167463142 /nfs/dbraw/zinc/46/31/42/1167463142.db2.gz APYCOTKHKAQDRX-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccc(C(N)=O)cc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592136311 1167463146 /nfs/dbraw/zinc/46/31/46/1167463146.db2.gz APYCOTKHKAQDRX-UHFFFAOYSA-N -1 1 323.316 0.921 20 0 DCADMM Cc1ccc(N(C)C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)nc1 ZINC001592175802 1167471224 /nfs/dbraw/zinc/47/12/24/1167471224.db2.gz KYSJNYHAKRUGEG-VIFPVBQESA-N -1 1 313.325 0.386 20 0 DCADMM Cc1ccc(N2CCN([S@@](C)(=N)=O)CC2)nc1-c1nnn[n-]1 ZINC001592176182 1167471384 /nfs/dbraw/zinc/47/13/84/1167471384.db2.gz QEJLZQQDDNENJZ-JOCHJYFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1ccc(N2CCN([S@@](C)(=N)=O)CC2)nc1-c1nn[n-]n1 ZINC001592176182 1167471388 /nfs/dbraw/zinc/47/13/88/1167471388.db2.gz QEJLZQQDDNENJZ-JOCHJYFZSA-N -1 1 322.398 0.284 20 0 DCADMM Cc1ccc(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)nc1-c1nnn[n-]1 ZINC001592183896 1167472720 /nfs/dbraw/zinc/47/27/20/1167472720.db2.gz LSLPDZBVGBPGRP-VHSXEESVSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1ccc(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)nc1-c1nn[n-]n1 ZINC001592183896 1167472723 /nfs/dbraw/zinc/47/27/23/1167472723.db2.gz LSLPDZBVGBPGRP-VHSXEESVSA-N -1 1 322.394 0.948 20 0 DCADMM Cc1ccc(OC[C@H](O)Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001592187100 1167473694 /nfs/dbraw/zinc/47/36/94/1167473694.db2.gz GSELXHRVXNKVPU-SNVBAGLBSA-N -1 1 301.310 0.207 20 0 DCADMM Cc1cccc2c1OC[C@@H](Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001592245225 1167478596 /nfs/dbraw/zinc/47/85/96/1167478596.db2.gz FKKCHPUJULOOOS-NSHDSACASA-N -1 1 309.333 0.803 20 0 DCADMM Cc1cccc2nc(CCNc3ccnc(-c4nn[n-]n4)n3)cn21 ZINC001592247623 1167479196 /nfs/dbraw/zinc/47/91/96/1167479196.db2.gz TVBZNKVOAZXQNH-UHFFFAOYSA-N -1 1 321.348 0.689 20 0 DCADMM Cc1[nH]nc(NC(=O)c2cccn3nccc23)c1-c1nn[n-]n1 ZINC001592332861 1167490499 /nfs/dbraw/zinc/49/04/99/1167490499.db2.gz TWIOHAKJFVYAID-UHFFFAOYSA-N -1 1 309.293 0.798 20 0 DCADMM Cc1[nH]nc(NC(=O)C[C@H]2CCC(=O)[C@H]2C)c1-c1nn[n-]n1 ZINC001592328713 1167491341 /nfs/dbraw/zinc/49/13/41/1167491341.db2.gz VRTDKEGOLDEWLJ-POYBYMJQSA-N -1 1 303.326 0.842 20 0 DCADMM Cc1[nH]nc(NC(=O)c2ccc(C=O)n2C)c1-c1nn[n-]n1 ZINC001592332235 1167491970 /nfs/dbraw/zinc/49/19/70/1167491970.db2.gz CHWWKURJBIXKNQ-UHFFFAOYSA-N -1 1 300.282 0.302 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](n3ccnn3)C2)n1 ZINC001592341690 1167494992 /nfs/dbraw/zinc/49/49/92/1167494992.db2.gz ZSKCPYJXQYOPHS-SNVBAGLBSA-N -1 1 312.341 0.398 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](n3ccnn3)C2)n1 ZINC001592341690 1167494993 /nfs/dbraw/zinc/49/49/93/1167494993.db2.gz ZSKCPYJXQYOPHS-SNVBAGLBSA-N -1 1 312.341 0.398 20 0 DCADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](n3ccnn3)C2)n1 ZINC001592341689 1167495152 /nfs/dbraw/zinc/49/51/52/1167495152.db2.gz ZSKCPYJXQYOPHS-JTQLQIEISA-N -1 1 312.341 0.398 20 0 DCADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](n3ccnn3)C2)n1 ZINC001592341689 1167495156 /nfs/dbraw/zinc/49/51/56/1167495156.db2.gz ZSKCPYJXQYOPHS-JTQLQIEISA-N -1 1 312.341 0.398 20 0 DCADMM Cc1nc(NC[C@H](CO)[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001592384464 1167509058 /nfs/dbraw/zinc/50/90/58/1167509058.db2.gz LPKCVMIJDBBIIU-VHSXEESVSA-N -1 1 305.342 0.022 20 0 DCADMM Cc1nc(NC[C@H](CO)[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001592384464 1167509064 /nfs/dbraw/zinc/50/90/64/1167509064.db2.gz LPKCVMIJDBBIIU-VHSXEESVSA-N -1 1 305.342 0.022 20 0 DCADMM Cc1ncccc1CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592417901 1167518037 /nfs/dbraw/zinc/51/80/37/1167518037.db2.gz WYLJGKDMLWXRDT-UHFFFAOYSA-N -1 1 323.360 0.867 20 0 DCADMM Cc1ncccc1CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592417901 1167518042 /nfs/dbraw/zinc/51/80/42/1167518042.db2.gz WYLJGKDMLWXRDT-UHFFFAOYSA-N -1 1 323.360 0.867 20 0 DCADMM Cc1nccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001592416769 1167518224 /nfs/dbraw/zinc/51/82/24/1167518224.db2.gz UBLRPQIJLISPEN-UHFFFAOYSA-N -1 1 321.322 0.037 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC001592440701 1167521710 /nfs/dbraw/zinc/52/17/10/1167521710.db2.gz HEVWUOGPPAZEDX-LURJTMIESA-N -1 1 300.282 0.444 20 0 DCADMM Cc1nnc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC001592440701 1167521714 /nfs/dbraw/zinc/52/17/14/1167521714.db2.gz HEVWUOGPPAZEDX-LURJTMIESA-N -1 1 300.282 0.444 20 0 DCADMM Cc1nn(C[C@@H](O)c2ccccc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436553 1167522191 /nfs/dbraw/zinc/52/21/91/1167522191.db2.gz UIUQNXRRIVVKOO-GFCCVEGCSA-N -1 1 312.333 0.774 20 0 DCADMM Cc1nn2cccnc2c1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592437876 1167522927 /nfs/dbraw/zinc/52/29/27/1167522927.db2.gz NQWZGCRFLHDTAK-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1nn2cccnc2c1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592437876 1167522933 /nfs/dbraw/zinc/52/29/33/1167522933.db2.gz NQWZGCRFLHDTAK-UHFFFAOYSA-N -1 1 321.304 0.865 20 0 DCADMM Cc1nnc([C@@H](C)OC(=O)c2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592441049 1167525284 /nfs/dbraw/zinc/52/52/84/1167525284.db2.gz OWFBIFPNGHYNBT-ZCFIWIBFSA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nnc([C@@H](C)OC(=O)c2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592441049 1167525288 /nfs/dbraw/zinc/52/52/88/1167525288.db2.gz OWFBIFPNGHYNBT-ZCFIWIBFSA-N -1 1 301.266 0.871 20 0 DCADMM Cc1nnc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)nc1C ZINC001592457396 1167530168 /nfs/dbraw/zinc/53/01/68/1167530168.db2.gz JDYGBSUTDNXCTP-UHFFFAOYSA-N -1 1 315.345 0.019 20 0 DCADMM Cc1nnc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nc1C ZINC001592457396 1167530170 /nfs/dbraw/zinc/53/01/70/1167530170.db2.gz JDYGBSUTDNXCTP-UHFFFAOYSA-N -1 1 315.345 0.019 20 0 DCADMM Cc1noc([C@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592457059 1167530485 /nfs/dbraw/zinc/53/04/85/1167530485.db2.gz SBWQKDJKVAWTDO-ZETCQYMHSA-N -1 1 315.293 0.800 20 0 DCADMM Cc1noc([C@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592457059 1167530488 /nfs/dbraw/zinc/53/04/88/1167530488.db2.gz SBWQKDJKVAWTDO-ZETCQYMHSA-N -1 1 315.293 0.800 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)c1nnnn1C ZINC001592502681 1167540421 /nfs/dbraw/zinc/54/04/21/1167540421.db2.gz VKOJWGFFYPMAAV-LURJTMIESA-N -1 1 304.270 0.210 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)c1nnnn1C ZINC001592502681 1167540427 /nfs/dbraw/zinc/54/04/27/1167540427.db2.gz VKOJWGFFYPMAAV-LURJTMIESA-N -1 1 304.270 0.210 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@H](O)C(F)(F)F ZINC001592502644 1167540588 /nfs/dbraw/zinc/54/05/88/1167540588.db2.gz PEEPVVKSCHDBPQ-MRVPVSSYSA-N -1 1 319.243 0.811 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@@H](O)C(F)(F)F ZINC001592502644 1167540594 /nfs/dbraw/zinc/54/05/94/1167540594.db2.gz PEEPVVKSCHDBPQ-MRVPVSSYSA-N -1 1 319.243 0.811 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ncc(C(N)=O)s1 ZINC001592500945 1167541238 /nfs/dbraw/zinc/54/12/38/1167541238.db2.gz FLXOMELXYKBDED-UHFFFAOYSA-N -1 1 319.306 0.576 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ncc(C(N)=O)s1 ZINC001592500945 1167541245 /nfs/dbraw/zinc/54/12/45/1167541245.db2.gz FLXOMELXYKBDED-UHFFFAOYSA-N -1 1 319.306 0.576 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@H]1CNC(=O)C1 ZINC001592503617 1167543971 /nfs/dbraw/zinc/54/39/71/1167543971.db2.gz VXHOUTBVUOBNFN-MRVPVSSYSA-N -1 1 304.310 0.024 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@H]1CNC(=O)C1 ZINC001592503617 1167543975 /nfs/dbraw/zinc/54/39/75/1167543975.db2.gz VXHOUTBVUOBNFN-MRVPVSSYSA-N -1 1 304.310 0.024 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](C)[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001592515303 1167544638 /nfs/dbraw/zinc/54/46/38/1167544638.db2.gz CLPVRNMQLYMKGW-SCZZXKLOSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1onc(CC(=O)N2CC[C@@H](C)[C@H](CO)C2)c1-c1nn[n-]n1 ZINC001592515303 1167544643 /nfs/dbraw/zinc/54/46/43/1167544643.db2.gz CLPVRNMQLYMKGW-SCZZXKLOSA-N -1 1 320.353 0.183 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@]1(O)CCSC1 ZINC001592503258 1167544758 /nfs/dbraw/zinc/54/47/58/1167544758.db2.gz SJVKAVUFJYRYFP-LBPRGKRZSA-N -1 1 309.351 0.366 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@]1(O)CCSC1 ZINC001592503258 1167544765 /nfs/dbraw/zinc/54/47/65/1167544765.db2.gz SJVKAVUFJYRYFP-LBPRGKRZSA-N -1 1 309.351 0.366 20 0 DCADMM Cc1onc(CC(=O)N2C3CCC2(CO)CC3)c1-c1nnn[n-]1 ZINC001592515060 1167545089 /nfs/dbraw/zinc/54/50/89/1167545089.db2.gz CNOHRQGPCXBCCM-UHFFFAOYSA-N -1 1 318.337 0.222 20 0 DCADMM Cc1onc(CC(=O)N2C3CCC2(CO)CC3)c1-c1nn[n-]n1 ZINC001592515060 1167545096 /nfs/dbraw/zinc/54/50/96/1167545096.db2.gz CNOHRQGPCXBCCM-UHFFFAOYSA-N -1 1 318.337 0.222 20 0 DCADMM Cc1onc(CC(=O)NCC[C@H]2CC2(F)F)c1-c1nnn[n-]1 ZINC001592517248 1167546394 /nfs/dbraw/zinc/54/63/94/1167546394.db2.gz QFQPSPKXJOSANJ-ZETCQYMHSA-N -1 1 312.280 0.867 20 0 DCADMM Cc1onc(CC(=O)NCC[C@H]2CC2(F)F)c1-c1nn[n-]n1 ZINC001592517248 1167546404 /nfs/dbraw/zinc/54/64/04/1167546404.db2.gz QFQPSPKXJOSANJ-ZETCQYMHSA-N -1 1 312.280 0.867 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](CO)CC2CCC2)c1-c1nnn[n-]1 ZINC001592516001 1167548530 /nfs/dbraw/zinc/54/85/30/1167548530.db2.gz WJLYKUBYJHZWGK-SNVBAGLBSA-N -1 1 320.353 0.373 20 0 DCADMM Cc1onc(CC(=O)N[C@@H](CO)CC2CCC2)c1-c1nn[n-]n1 ZINC001592516001 1167548538 /nfs/dbraw/zinc/54/85/38/1167548538.db2.gz WJLYKUBYJHZWGK-SNVBAGLBSA-N -1 1 320.353 0.373 20 0 DCADMM Clc1cc(Cn2cnc(-c3nn[n-]n3)n2)cc2c1OCO2 ZINC001592525807 1167548935 /nfs/dbraw/zinc/54/89/35/1167548935.db2.gz DIKHYBXPVJKOOJ-UHFFFAOYSA-N -1 1 305.685 0.889 20 0 DCADMM Cn1[n-]cc2c(=NC(=O)c3cccc(-c4nn[nH]n4)c3)ccnc1-2 ZINC001592544065 1167551012 /nfs/dbraw/zinc/55/10/12/1167551012.db2.gz HVIWDSFTIIUOAI-UHFFFAOYSA-N -1 1 320.316 0.774 20 0 DCADMM Cn1c(Cn2cc(-c3nn[n-]n3)ccc2=O)nc2ccccc21 ZINC001592554150 1167558264 /nfs/dbraw/zinc/55/82/64/1167558264.db2.gz RBECXPKZFSCLQE-UHFFFAOYSA-N -1 1 307.317 0.963 20 0 DCADMM Cn1cc(-c2nn[nH]n2)cc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001592560529 1167561128 /nfs/dbraw/zinc/56/11/28/1167561128.db2.gz ILIPGMBCDDMJDI-UHFFFAOYSA-N -1 1 323.320 0.113 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCOC2(C)C)n1 ZINC001592560132 1167561345 /nfs/dbraw/zinc/56/13/45/1167561345.db2.gz ZZKHVCYUNFJPHK-MRVPVSSYSA-N -1 1 306.330 0.289 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCOC2(C)C)n1 ZINC001592560132 1167561351 /nfs/dbraw/zinc/56/13/51/1167561351.db2.gz ZZKHVCYUNFJPHK-MRVPVSSYSA-N -1 1 306.330 0.289 20 0 DCADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cnn(C3CCC3)c2)n1 ZINC001592560041 1167561827 /nfs/dbraw/zinc/56/18/27/1167561827.db2.gz MBIVTOBIGYPYFL-UHFFFAOYSA-N -1 1 313.325 0.774 20 0 DCADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cnn(C3CCC3)c2)n1 ZINC001592560041 1167561832 /nfs/dbraw/zinc/56/18/32/1167561832.db2.gz MBIVTOBIGYPYFL-UHFFFAOYSA-N -1 1 313.325 0.774 20 0 DCADMM Cn1cc(CCOC(=O)c2ccsc2-c2nnn[n-]2)nn1 ZINC001592573293 1167566831 /nfs/dbraw/zinc/56/68/31/1167566831.db2.gz CKIHPAPGDCFKMH-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM Cn1cc(CCOC(=O)c2ccsc2-c2nn[n-]n2)nn1 ZINC001592573293 1167566837 /nfs/dbraw/zinc/56/68/37/1167566837.db2.gz CKIHPAPGDCFKMH-UHFFFAOYSA-N -1 1 305.323 0.456 20 0 DCADMM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ncc(-c3nnn[n-]3)s2)cn1 ZINC001592577195 1167569019 /nfs/dbraw/zinc/56/90/19/1167569019.db2.gz WRUNFAWDCSNYTE-JGVFFNPUSA-N -1 1 316.350 0.799 20 0 DCADMM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ncc(-c3nn[n-]n3)s2)cn1 ZINC001592577195 1167569023 /nfs/dbraw/zinc/56/90/23/1167569023.db2.gz WRUNFAWDCSNYTE-JGVFFNPUSA-N -1 1 316.350 0.799 20 0 DCADMM Cn1[nH]c([C@@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)nc1=N ZINC001592596365 1167577086 /nfs/dbraw/zinc/57/70/86/1167577086.db2.gz RTMSXVNAWUZGBP-JTQLQIEISA-N -1 1 312.341 0.144 20 0 DCADMM Cn1[nH]c([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)nc1=N ZINC001592596365 1167577092 /nfs/dbraw/zinc/57/70/92/1167577092.db2.gz RTMSXVNAWUZGBP-JTQLQIEISA-N -1 1 312.341 0.144 20 0 DCADMM FC(F)(F)[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001592615688 1167586071 /nfs/dbraw/zinc/58/60/71/1167586071.db2.gz KPQWAJXOVYTURG-ZETCQYMHSA-N -1 1 301.232 0.424 20 0 DCADMM FC(F)(F)[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001592615688 1167586076 /nfs/dbraw/zinc/58/60/76/1167586076.db2.gz KPQWAJXOVYTURG-ZETCQYMHSA-N -1 1 301.232 0.424 20 0 DCADMM FC(F)(F)[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)O1 ZINC001592614181 1167587683 /nfs/dbraw/zinc/58/76/83/1167587683.db2.gz TXHRAMCZECPQLE-BQBZGAKWSA-N -1 1 315.259 0.600 20 0 DCADMM FC1(F)C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCN2C1 ZINC001592631706 1167590316 /nfs/dbraw/zinc/59/03/16/1167590316.db2.gz VUVLGPPJXFMTCH-QMMMGPOBSA-N -1 1 308.296 0.186 20 0 DCADMM FC1(F)C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCN2C1 ZINC001592631706 1167590319 /nfs/dbraw/zinc/59/03/19/1167590319.db2.gz VUVLGPPJXFMTCH-QMMMGPOBSA-N -1 1 308.296 0.186 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001592735411 1167621194 /nfs/dbraw/zinc/62/11/94/1167621194.db2.gz RZFHFECTKIRDDN-MGCOHNPYSA-N -1 1 301.354 0.965 20 0 DCADMM NC(=O)[C@H]1CC[C@H](CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001592735411 1167621200 /nfs/dbraw/zinc/62/12/00/1167621200.db2.gz RZFHFECTKIRDDN-MGCOHNPYSA-N -1 1 301.354 0.965 20 0 DCADMM NC(=O)c1[nH]nc2ccc(Nc3cc(-c4nn[n-]n4)ncn3)cc21 ZINC001592738172 1167623321 /nfs/dbraw/zinc/62/33/21/1167623321.db2.gz DAVQRFGRNKVUSF-UHFFFAOYSA-N -1 1 322.292 0.376 20 0 DCADMM NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)c(F)c1 ZINC001592736783 1167623735 /nfs/dbraw/zinc/62/37/35/1167623735.db2.gz FNPYGVPFPYVJSO-UHFFFAOYSA-N -1 1 301.241 0.687 20 0 DCADMM NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)c(F)c1 ZINC001592736783 1167623739 /nfs/dbraw/zinc/62/37/39/1167623739.db2.gz FNPYGVPFPYVJSO-UHFFFAOYSA-N -1 1 301.241 0.687 20 0 DCADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCC(=O)c1ccccn1 ZINC001592752847 1167632409 /nfs/dbraw/zinc/63/24/09/1167632409.db2.gz BEDFZIYVTJVOAD-UHFFFAOYSA-N -1 1 312.293 0.344 20 0 DCADMM Nc1cccnc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592760693 1167635248 /nfs/dbraw/zinc/63/52/48/1167635248.db2.gz QCDIVHZVPQKPJW-UHFFFAOYSA-N -1 1 301.335 0.835 20 0 DCADMM Nc1nc(N)nc(CSc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001592761366 1167637781 /nfs/dbraw/zinc/63/77/81/1167637781.db2.gz LNRAONVBQBICGZ-UHFFFAOYSA-N -1 1 319.329 0.648 20 0 DCADMM O=C(CC1CC1)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001592815494 1167645604 /nfs/dbraw/zinc/64/56/04/1167645604.db2.gz NGWQXDZAYBFXKO-UHFFFAOYSA-N -1 1 318.341 0.165 20 0 DCADMM O=C(CC1CC1)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001592815494 1167645608 /nfs/dbraw/zinc/64/56/08/1167645608.db2.gz NGWQXDZAYBFXKO-UHFFFAOYSA-N -1 1 318.341 0.165 20 0 DCADMM O=C(C[C@H]1CCNC1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592825749 1167646954 /nfs/dbraw/zinc/64/69/54/1167646954.db2.gz UPEXYYIDWGIMBF-MRVPVSSYSA-N -1 1 302.294 0.037 20 0 DCADMM O=C(CN1CCCCC1=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592867623 1167654239 /nfs/dbraw/zinc/65/42/39/1167654239.db2.gz VYYSAIGFMCQWLW-UHFFFAOYSA-N -1 1 321.362 0.984 20 0 DCADMM O=C(Cc1c[nH]c2cnccc12)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592909368 1167661241 /nfs/dbraw/zinc/66/12/41/1167661241.db2.gz ADSZEEKFXQRYGI-UHFFFAOYSA-N -1 1 309.293 0.647 20 0 DCADMM O=C(Cc1c[nH]c2cnccc12)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592909368 1167661248 /nfs/dbraw/zinc/66/12/48/1167661248.db2.gz ADSZEEKFXQRYGI-UHFFFAOYSA-N -1 1 309.293 0.647 20 0 DCADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCCCCCCO ZINC001592914670 1167665029 /nfs/dbraw/zinc/66/50/29/1167665029.db2.gz GVLJDNASYWXXKZ-UHFFFAOYSA-N -1 1 305.338 0.900 20 0 DCADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCCCCCCO ZINC001592914670 1167665033 /nfs/dbraw/zinc/66/50/33/1167665033.db2.gz GVLJDNASYWXXKZ-UHFFFAOYSA-N -1 1 305.338 0.900 20 0 DCADMM O=C(Cc1ccc(-c2nn[nH]n2)nc1)[N-]O[C@H]1CCCCO1 ZINC001592915826 1167666160 /nfs/dbraw/zinc/66/61/60/1167666160.db2.gz RYBMAVUPOBYGKM-LBPRGKRZSA-N -1 1 304.310 0.379 20 0 DCADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)N(C1CC1)C1CCCC1 ZINC001592936710 1167667398 /nfs/dbraw/zinc/66/73/98/1167667398.db2.gz YDXPQKFEZQPRRP-UHFFFAOYSA-N -1 1 302.342 0.392 20 0 DCADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001592939414 1167669312 /nfs/dbraw/zinc/66/93/12/1167669312.db2.gz AJYIHJZYKSCGCP-GJMOJQLCSA-N -1 1 324.295 0.008 20 0 DCADMM O=C(N[C@H](CCO)C(F)(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001592949464 1167671426 /nfs/dbraw/zinc/67/14/26/1167671426.db2.gz BBPRSUVDUVVLSL-SSDOTTSWSA-N -1 1 321.284 0.971 20 0 DCADMM O=C(NC1CC1)[C@@H]1CCCN(c2ncncc2-c2nn[n-]n2)C1 ZINC001592967114 1167676845 /nfs/dbraw/zinc/67/68/45/1167676845.db2.gz IQPQEADHDBSOPE-SECBINFHSA-N -1 1 314.353 0.152 20 0 DCADMM O=C(N[C@H]1CCn2cncc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592995481 1167681240 /nfs/dbraw/zinc/68/12/40/1167681240.db2.gz BTVPLOUZNGRSTH-JTQLQIEISA-N -1 1 310.321 0.203 20 0 DCADMM O=C(N[C@H]1CCn2cncc21)c1ccc(-c2nn[n-]n2)s1 ZINC001592997102 1167682499 /nfs/dbraw/zinc/68/24/99/1167682499.db2.gz RQLVDVDUEVBAKV-ZETCQYMHSA-N -1 1 301.335 1.000 20 0 DCADMM O=C(NCC1(CO)CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593015252 1167688095 /nfs/dbraw/zinc/68/80/95/1167688095.db2.gz ACUXNWACOLDGGD-UHFFFAOYSA-N -1 1 305.313 0.898 20 0 DCADMM O=C(NCC1(CO)CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593015252 1167688097 /nfs/dbraw/zinc/68/80/97/1167688097.db2.gz ACUXNWACOLDGGD-UHFFFAOYSA-N -1 1 305.313 0.898 20 0 DCADMM O=C(NC[C@]1(O)CCSC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593021064 1167689169 /nfs/dbraw/zinc/68/91/69/1167689169.db2.gz WAIDVPUWZFBDJL-GFCCVEGCSA-N -1 1 321.366 0.251 20 0 DCADMM O=C(NC[C@]1(O)CCSC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593021064 1167689172 /nfs/dbraw/zinc/68/91/72/1167689172.db2.gz WAIDVPUWZFBDJL-GFCCVEGCSA-N -1 1 321.366 0.251 20 0 DCADMM O=C(NCCCNc1ncccn1)c1coc(-c2nnn[n-]2)c1 ZINC001593078494 1167699508 /nfs/dbraw/zinc/69/95/08/1167699508.db2.gz CIGGMDPHSVFNDQ-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NCCCNc1ncccn1)c1coc(-c2nn[n-]n2)c1 ZINC001593078494 1167699516 /nfs/dbraw/zinc/69/95/16/1167699516.db2.gz CIGGMDPHSVFNDQ-UHFFFAOYSA-N -1 1 314.309 0.482 20 0 DCADMM O=C(NC[C@H]1CCC[C@@H]1O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593113906 1167716525 /nfs/dbraw/zinc/71/65/25/1167716525.db2.gz XTUZORYXUNGRDW-SCZZXKLOSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NC[C@H]1CCC[C@@H]1O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593113906 1167716535 /nfs/dbraw/zinc/71/65/35/1167716535.db2.gz XTUZORYXUNGRDW-SCZZXKLOSA-N -1 1 303.326 0.544 20 0 DCADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1c[nH]c(=S)[nH]1 ZINC001593137045 1167719482 /nfs/dbraw/zinc/71/94/82/1167719482.db2.gz NKFJOBMAYTWSAZ-UHFFFAOYSA-N -1 1 307.364 0.870 20 0 DCADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cnn2ccccc12 ZINC001593145985 1167723607 /nfs/dbraw/zinc/72/36/07/1167723607.db2.gz CXSZPPYWNCYDOT-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cnn2ccccc12 ZINC001593145985 1167723609 /nfs/dbraw/zinc/72/36/09/1167723609.db2.gz CXSZPPYWNCYDOT-UHFFFAOYSA-N -1 1 320.316 0.839 20 0 DCADMM O=C(NCc1cn(C2CCC2)nn1)c1coc(-c2nnn[n-]2)c1 ZINC001593148125 1167724783 /nfs/dbraw/zinc/72/47/83/1167724783.db2.gz UQZFFCAQZHKSQV-UHFFFAOYSA-N -1 1 314.309 0.706 20 0 DCADMM O=C(NCc1cn(C2CCC2)nn1)c1coc(-c2nn[n-]n2)c1 ZINC001593148125 1167724788 /nfs/dbraw/zinc/72/47/88/1167724788.db2.gz UQZFFCAQZHKSQV-UHFFFAOYSA-N -1 1 314.309 0.706 20 0 DCADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N1CCC[C@@H]1CCO ZINC001593150352 1167725617 /nfs/dbraw/zinc/72/56/17/1167725617.db2.gz WXIFSXCSVHVHKK-MRVPVSSYSA-N -1 1 323.382 0.380 20 0 DCADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N1CCC[C@@H]1CCO ZINC001593150352 1167725620 /nfs/dbraw/zinc/72/56/20/1167725620.db2.gz WXIFSXCSVHVHKK-MRVPVSSYSA-N -1 1 323.382 0.380 20 0 DCADMM O=C(Nc1n[nH]c2c1COCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593195378 1167734771 /nfs/dbraw/zinc/73/47/71/1167734771.db2.gz BRIGTUZUJNCRHX-UHFFFAOYSA-N -1 1 301.266 0.508 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cnc2nccnc2c1 ZINC001593199810 1167735599 /nfs/dbraw/zinc/73/55/99/1167735599.db2.gz RKNMKXPXQURSAV-UHFFFAOYSA-N -1 1 308.265 0.180 20 0 DCADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cnc2nccnc2c1 ZINC001593199810 1167735607 /nfs/dbraw/zinc/73/56/07/1167735607.db2.gz RKNMKXPXQURSAV-UHFFFAOYSA-N -1 1 308.265 0.180 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCO[C@@H](CF)C1 ZINC001593244641 1167743038 /nfs/dbraw/zinc/74/30/38/1167743038.db2.gz WFDWISGMYSFOIE-QMMMGPOBSA-N -1 1 307.289 0.464 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCO[C@@H](CF)C1 ZINC001593244641 1167743048 /nfs/dbraw/zinc/74/30/48/1167743048.db2.gz WFDWISGMYSFOIE-QMMMGPOBSA-N -1 1 307.289 0.464 20 0 DCADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(=O)N1CCC(F)(F)C1 ZINC001593243457 1167744961 /nfs/dbraw/zinc/74/49/61/1167744961.db2.gz MHHOIFNVDFMLSS-UHFFFAOYSA-N -1 1 323.263 0.068 20 0 DCADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(=O)N1CCC(F)(F)C1 ZINC001593243457 1167744964 /nfs/dbraw/zinc/74/49/64/1167744964.db2.gz MHHOIFNVDFMLSS-UHFFFAOYSA-N -1 1 323.263 0.068 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cccc2c1OCCO2 ZINC001593260512 1167746009 /nfs/dbraw/zinc/74/60/09/1167746009.db2.gz LVGHSYNIEHTQRB-UHFFFAOYSA-N -1 1 313.277 0.613 20 0 DCADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ncn(-c2ccccc2)n1 ZINC001593261198 1167747564 /nfs/dbraw/zinc/74/75/64/1167747564.db2.gz SSJYBVJXYXVUKO-UHFFFAOYSA-N -1 1 322.292 0.423 20 0 DCADMM O=C(Nc1ncccn1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593267532 1167748502 /nfs/dbraw/zinc/74/85/02/1167748502.db2.gz BZWACYYFAZSUAS-UHFFFAOYSA-N -1 1 302.685 0.957 20 0 DCADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001593267795 1167750662 /nfs/dbraw/zinc/75/06/62/1167750662.db2.gz JVLFEARCYHVBDI-RRKCRQDMSA-N -1 1 304.335 0.877 20 0 DCADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001593267795 1167750668 /nfs/dbraw/zinc/75/06/68/1167750668.db2.gz JVLFEARCYHVBDI-RRKCRQDMSA-N -1 1 304.335 0.877 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCOC1 ZINC001593280211 1167753958 /nfs/dbraw/zinc/75/39/58/1167753958.db2.gz FVENRQRXJAEBHE-SECBINFHSA-N -1 1 317.305 0.414 20 0 DCADMM O=C(COC(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCOC1 ZINC001593280211 1167753963 /nfs/dbraw/zinc/75/39/63/1167753963.db2.gz FVENRQRXJAEBHE-SECBINFHSA-N -1 1 317.305 0.414 20 0 DCADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCCS1(=O)=O ZINC001593297287 1167765463 /nfs/dbraw/zinc/76/54/63/1167765463.db2.gz CUQLRZTUUJBGEC-VIFPVBQESA-N -1 1 312.307 0.080 20 0 DCADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCS1(=O)=O ZINC001593297287 1167765469 /nfs/dbraw/zinc/76/54/69/1167765469.db2.gz CUQLRZTUUJBGEC-VIFPVBQESA-N -1 1 312.307 0.080 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@](O)(C(F)F)C1 ZINC001593336841 1167777964 /nfs/dbraw/zinc/77/79/64/1167777964.db2.gz GCKJQRFYQHKAFO-LBPRGKRZSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@](O)(C(F)F)C1 ZINC001593336841 1167777974 /nfs/dbraw/zinc/77/79/74/1167777974.db2.gz GCKJQRFYQHKAFO-LBPRGKRZSA-N -1 1 310.264 0.104 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1c1ncon1 ZINC001593348827 1167783720 /nfs/dbraw/zinc/78/37/20/1167783720.db2.gz RBWLNROEYZUMDT-SNVBAGLBSA-N -1 1 312.293 0.622 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1ncon1 ZINC001593348827 1167783724 /nfs/dbraw/zinc/78/37/24/1167783724.db2.gz RBWLNROEYZUMDT-SNVBAGLBSA-N -1 1 312.293 0.622 20 0 DCADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H](C2OCCO2)C1 ZINC001593348460 1167784647 /nfs/dbraw/zinc/78/46/47/1167784647.db2.gz ZRYGWXVIXOHXDO-VIFPVBQESA-N -1 1 316.321 0.097 20 0 DCADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H](C2OCCO2)C1 ZINC001593348460 1167784658 /nfs/dbraw/zinc/78/46/58/1167784658.db2.gz ZRYGWXVIXOHXDO-VIFPVBQESA-N -1 1 316.321 0.097 20 0 DCADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC2(CC1)OCCO2 ZINC001593362555 1167787703 /nfs/dbraw/zinc/78/77/03/1167787703.db2.gz UEYDVSWUOWKKPT-UHFFFAOYSA-N -1 1 321.362 0.907 20 0 DCADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC2(CC1)OCCO2 ZINC001593362555 1167787709 /nfs/dbraw/zinc/78/77/09/1167787709.db2.gz UEYDVSWUOWKKPT-UHFFFAOYSA-N -1 1 321.362 0.907 20 0 DCADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001593370274 1167791571 /nfs/dbraw/zinc/79/15/71/1167791571.db2.gz RITUZXVYFZANCG-DDIDRBJESA-N -1 1 309.376 0.274 20 0 DCADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@]2(CNC(=O)C2)C1 ZINC001593384646 1167793046 /nfs/dbraw/zinc/79/30/46/1167793046.db2.gz UASOZNGZRAUSOD-ZDUSSCGKSA-N -1 1 318.362 0.280 20 0 DCADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@]2(CNC(=O)C2)C1 ZINC001593384646 1167793055 /nfs/dbraw/zinc/79/30/55/1167793055.db2.gz UASOZNGZRAUSOD-ZDUSSCGKSA-N -1 1 318.362 0.280 20 0 DCADMM O=C1[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)CCN1C1CCC1 ZINC001593378930 1167795127 /nfs/dbraw/zinc/79/51/27/1167795127.db2.gz NMQKSURJHYQPMN-VIFPVBQESA-N -1 1 300.326 0.222 20 0 DCADMM O=C1[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)CCN1C1CCC1 ZINC001593378930 1167795134 /nfs/dbraw/zinc/79/51/34/1167795134.db2.gz NMQKSURJHYQPMN-VIFPVBQESA-N -1 1 300.326 0.222 20 0 DCADMM O=C(C[C@@H]1CCC(=O)NC1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001593390547 1167802631 /nfs/dbraw/zinc/80/26/31/1167802631.db2.gz LPPURXGOBWJONU-QMMMGPOBSA-N -1 1 321.362 0.888 20 0 DCADMM O=C1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C(=O)N1 ZINC001593391533 1167803897 /nfs/dbraw/zinc/80/38/97/1167803897.db2.gz YCMIDECPVVEQFT-VKHMYHEASA-N -1 1 313.730 0.194 20 0 DCADMM O=C1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C(=O)N1 ZINC001593391533 1167803908 /nfs/dbraw/zinc/80/39/08/1167803908.db2.gz YCMIDECPVVEQFT-VKHMYHEASA-N -1 1 313.730 0.194 20 0 DCADMM O=C1CC[C@@H]2CN(Cc3nc(-c4nnn[n-]4)cs3)CCN12 ZINC001593393168 1167805017 /nfs/dbraw/zinc/80/50/17/1167805017.db2.gz FJDQOVVXVHNXGN-MRVPVSSYSA-N -1 1 305.367 0.130 20 0 DCADMM O=C1CC[C@@H]2CN(Cc3nc(-c4nn[n-]n4)cs3)CCN12 ZINC001593393168 1167805025 /nfs/dbraw/zinc/80/50/25/1167805025.db2.gz FJDQOVVXVHNXGN-MRVPVSSYSA-N -1 1 305.367 0.130 20 0 DCADMM O=C1N[C@@H](c2csc(-c3nn[n-]n3)c2)N2CCSC[C@@H]12 ZINC001593412691 1167819171 /nfs/dbraw/zinc/81/91/71/1167819171.db2.gz BJVVTCISAGUBAY-OIBJUYFYSA-N -1 1 308.392 0.474 20 0 DCADMM O=C1N[C@]2(CCOC2)C(=O)N1Cc1ccc(-c2nn[n-]n2)s1 ZINC001593412783 1167821222 /nfs/dbraw/zinc/82/12/22/1167821222.db2.gz CZXVKGYQFBYWCI-LBPRGKRZSA-N -1 1 320.334 0.139 20 0 DCADMM O=S(=O)(CCNc1ccnc(-c2nnn[n-]2)c1)N1CCCC1 ZINC001593419957 1167834050 /nfs/dbraw/zinc/83/40/50/1167834050.db2.gz ZPUFPKLHZANJCT-UHFFFAOYSA-N -1 1 323.382 0.099 20 0 DCADMM O=S(=O)(CCNc1ccnc(-c2nn[n-]n2)c1)N1CCCC1 ZINC001593419957 1167834058 /nfs/dbraw/zinc/83/40/58/1167834058.db2.gz ZPUFPKLHZANJCT-UHFFFAOYSA-N -1 1 323.382 0.099 20 0 DCADMM O=S(=O)(N[C@@]12C[C@@H]1CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593434895 1167838628 /nfs/dbraw/zinc/83/86/28/1167838628.db2.gz SVCDCVBAAWLWNW-ZANVPECISA-N -1 1 320.378 0.873 20 0 DCADMM O=S(=O)(N[C@@]12C[C@@H]1CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593434895 1167838636 /nfs/dbraw/zinc/83/86/36/1167838636.db2.gz SVCDCVBAAWLWNW-ZANVPECISA-N -1 1 320.378 0.873 20 0 DCADMM O=S(=O)(NCc1ccnc(-c2nn[n-]n2)c1)c1cscn1 ZINC001593442982 1167842692 /nfs/dbraw/zinc/84/26/92/1167842692.db2.gz SCJYHDJYWGWHIK-UHFFFAOYSA-N -1 1 323.363 0.197 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CC[C@H](C2CC2)C1 ZINC001593457588 1167848640 /nfs/dbraw/zinc/84/86/40/1167848640.db2.gz NWCPSWFYDMXPGK-JTQLQIEISA-N -1 1 320.378 0.682 20 0 DCADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC2(CC2)C1 ZINC001593456086 1167850161 /nfs/dbraw/zinc/85/01/61/1167850161.db2.gz VMAMGABYXOLGFY-UHFFFAOYSA-N -1 1 309.326 0.790 20 0 DCADMM O=S(=O)(c1cccnc1-c1nn[n-]n1)N1CC[C@H](CF)C1 ZINC001593456906 1167850816 /nfs/dbraw/zinc/85/08/16/1167850816.db2.gz FUCUJFWLKJMRCE-MRVPVSSYSA-N -1 1 312.330 0.242 20 0 DCADMM O=S1(=O)CCCC[C@@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001593462835 1167852000 /nfs/dbraw/zinc/85/20/00/1167852000.db2.gz GIRUCZZUGHRJCY-MRVPVSSYSA-N -1 1 309.355 0.036 20 0 DCADMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001593489188 1167871218 /nfs/dbraw/zinc/87/12/18/1167871218.db2.gz CZEWLMIYNPDDHE-NRPADANISA-N -1 1 304.310 0.087 20 0 DCADMM O=c1onc(-c2ccncc2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001593498802 1167883306 /nfs/dbraw/zinc/88/33/06/1167883306.db2.gz UQWURSZPBLQANV-UHFFFAOYSA-N -1 1 311.261 0.720 20 0 DCADMM O=c1onc(-c2ccncc2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001593498802 1167883314 /nfs/dbraw/zinc/88/33/14/1167883314.db2.gz UQWURSZPBLQANV-UHFFFAOYSA-N -1 1 311.261 0.720 20 0 DCADMM O[C@H](CNc1ccnc(-c2nnn[n-]2)c1)c1ccccc1F ZINC001593506489 1167886683 /nfs/dbraw/zinc/88/66/83/1167886683.db2.gz KPEKBWWPYJSDFB-CYBMUJFWSA-N -1 1 300.297 0.968 20 0 DCADMM O[C@H](CNc1ccnc(-c2nn[n-]n2)c1)c1ccccc1F ZINC001593506489 1167886693 /nfs/dbraw/zinc/88/66/93/1167886693.db2.gz KPEKBWWPYJSDFB-CYBMUJFWSA-N -1 1 300.297 0.968 20 0 DCADMM O[C@H]1CCOC2(CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)C1 ZINC001593520779 1167894061 /nfs/dbraw/zinc/89/40/61/1167894061.db2.gz VNSMGZPVZJLXLX-JTQLQIEISA-N -1 1 317.353 0.167 20 0 DCADMM O[C@H]1CCOC2(CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)C1 ZINC001593520779 1167894069 /nfs/dbraw/zinc/89/40/69/1167894069.db2.gz VNSMGZPVZJLXLX-JTQLQIEISA-N -1 1 317.353 0.167 20 0 DCADMM OCC1(CO)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001593524141 1167901596 /nfs/dbraw/zinc/90/15/96/1167901596.db2.gz VQJAQEQJXIWCEC-UHFFFAOYSA-N -1 1 310.745 0.096 20 0 DCADMM OCC1(CO)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001593524141 1167901601 /nfs/dbraw/zinc/90/16/01/1167901601.db2.gz VQJAQEQJXIWCEC-UHFFFAOYSA-N -1 1 310.745 0.096 20 0 DCADMM OC[C@]1(C(F)(F)F)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001593525373 1167901968 /nfs/dbraw/zinc/90/19/68/1167901968.db2.gz FFHLIBCSUXVROE-JTQLQIEISA-N -1 1 315.259 0.408 20 0 DCADMM OC[C@]1(C(F)(F)F)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001593525373 1167901973 /nfs/dbraw/zinc/90/19/73/1167901973.db2.gz FFHLIBCSUXVROE-JTQLQIEISA-N -1 1 315.259 0.408 20 0 DCADMM OC[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC001593525530 1167902047 /nfs/dbraw/zinc/90/20/47/1167902047.db2.gz WVLJSQUGAPTWSV-CYBMUJFWSA-N -1 1 310.361 0.947 20 0 DCADMM OC[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC001593525530 1167902052 /nfs/dbraw/zinc/90/20/52/1167902052.db2.gz WVLJSQUGAPTWSV-CYBMUJFWSA-N -1 1 310.361 0.947 20 0 DCADMM OCC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCOCC1 ZINC001593529269 1167905066 /nfs/dbraw/zinc/90/50/66/1167905066.db2.gz QKALBWFFVJGKQL-SNVBAGLBSA-N -1 1 305.342 0.246 20 0 DCADMM OCC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCOCC1 ZINC001593529269 1167905070 /nfs/dbraw/zinc/90/50/70/1167905070.db2.gz QKALBWFFVJGKQL-SNVBAGLBSA-N -1 1 305.342 0.246 20 0 DCADMM OC[C@@H]1C[C@@H](O)CN1c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001593541866 1167923707 /nfs/dbraw/zinc/92/37/07/1167923707.db2.gz KFPQGOJRNYBHBX-VHSXEESVSA-N -1 1 312.333 0.347 20 0 DCADMM OC[C@@H]1C[C@@H](O)CN1c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001593541866 1167923715 /nfs/dbraw/zinc/92/37/15/1167923715.db2.gz KFPQGOJRNYBHBX-VHSXEESVSA-N -1 1 312.333 0.347 20 0 DCADMM c1cn([C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)nn1 ZINC001593582435 1167948872 /nfs/dbraw/zinc/94/88/72/1167948872.db2.gz PWFZKBSFWOHXIV-SNVBAGLBSA-N -1 1 312.341 0.480 20 0 DCADMM c1cn([C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)nn1 ZINC001593582435 1167948874 /nfs/dbraw/zinc/94/88/74/1167948874.db2.gz PWFZKBSFWOHXIV-SNVBAGLBSA-N -1 1 312.341 0.480 20 0 DCADMM c1cnc(N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001593585328 1167952602 /nfs/dbraw/zinc/95/26/02/1167952602.db2.gz ZLJDHNIWLAFWJZ-SECBINFHSA-N -1 1 310.325 0.138 20 0 DCADMM c1cnc(N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001593585328 1167952604 /nfs/dbraw/zinc/95/26/04/1167952604.db2.gz ZLJDHNIWLAFWJZ-SECBINFHSA-N -1 1 310.325 0.138 20 0 DCADMM COC(=O)[C@@]1(O)CCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1 ZINC001598724520 1168032670 /nfs/dbraw/zinc/03/26/70/1168032670.db2.gz OHYUMUFCTAYVMZ-BDJLRTHQSA-N -1 1 323.345 0.648 20 0 DCADMM Cc1c(C(=O)[O-])csc1NC(=O)C(=O)N1CCN[C@H](C)C1 ZINC001600000375 1168083395 /nfs/dbraw/zinc/08/33/95/1168083395.db2.gz JOGANKGXDLZNRL-SSDOTTSWSA-N -1 1 311.363 0.514 20 0 DCADMM Cc1c(NC(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)cccc1C(=O)[O-] ZINC001600024125 1168097777 /nfs/dbraw/zinc/09/77/77/1168097777.db2.gz CUZUPYAMLWLNMX-UWVGGRQHSA-N -1 1 319.361 0.841 20 0 DCADMM Cc1cc(C(=O)[O-])nc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC001600126242 1168124846 /nfs/dbraw/zinc/12/48/46/1168124846.db2.gz NVSBVQDYBWKTQB-OLZOCXBDSA-N -1 1 306.366 0.519 20 0 DCADMM Cc1cc(C)n(CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)n1 ZINC001600178319 1168130535 /nfs/dbraw/zinc/13/05/35/1168130535.db2.gz REZNJUASUWVUPZ-ZDUSSCGKSA-N -1 1 308.382 0.507 20 0 DCADMM Cc1cc(C)n(CCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)n1 ZINC001600179111 1168130983 /nfs/dbraw/zinc/13/09/83/1168130983.db2.gz UVGHOMCDCPUQFE-CQSZACIVSA-N -1 1 322.409 0.897 20 0 DCADMM Cc1cc(CCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)[nH]n1 ZINC001600188692 1168133658 /nfs/dbraw/zinc/13/36/58/1168133658.db2.gz HYTQAVZENBLJGK-GFCCVEGCSA-N -1 1 308.382 0.658 20 0 DCADMM Cc1cc(CN2CCC(c3nnnn3C)CC2)[nH]c1C(=O)[O-] ZINC001600193177 1168136444 /nfs/dbraw/zinc/13/64/44/1168136444.db2.gz MHVHDINBDBHTPG-UHFFFAOYSA-N -1 1 304.354 0.924 20 0 DCADMM Cc1ccc([C@H](NC(=O)CCc2nn[nH]n2)C(=O)[O-])cc1C ZINC001600383119 1168177569 /nfs/dbraw/zinc/17/75/69/1168177569.db2.gz UMDUABFBTPBWNJ-ZDUSSCGKSA-N -1 1 303.322 0.691 20 0 DCADMM Cc1ccc(CN(CCN2CCN(C)CC2)CC(=O)[O-])nc1 ZINC001600410974 1168180236 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ZINC001603357022 1169302001 /nfs/dbraw/zinc/30/20/01/1169302001.db2.gz NAOPLTZROWGKJV-OCAPTIKFSA-N -1 1 321.341 0.034 20 0 DCADMM CC(C)S(=O)(=O)CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001603375138 1169303725 /nfs/dbraw/zinc/30/37/25/1169303725.db2.gz NXOGGVCVBDXRFV-UHFFFAOYSA-N -1 1 324.366 0.048 20 0 DCADMM C[C@H](CC(C)(C)O)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001603451905 1169308193 /nfs/dbraw/zinc/30/81/93/1169308193.db2.gz VUAITUDRGKMPIM-SSDOTTSWSA-N -1 1 308.346 0.271 20 0 DCADMM C[C@H](CC(C)(C)O)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001603451905 1169308211 /nfs/dbraw/zinc/30/82/11/1169308211.db2.gz VUAITUDRGKMPIM-SSDOTTSWSA-N -1 1 308.346 0.271 20 0 DCADMM C[C@H](CCNC(=O)C(C)(C)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603481069 1169311387 /nfs/dbraw/zinc/31/13/87/1169311387.db2.gz CIBTYGMZQQZXMQ-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@H](CCNC(=O)C(C)(C)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603481069 1169311393 /nfs/dbraw/zinc/31/13/93/1169311393.db2.gz CIBTYGMZQQZXMQ-MRVPVSSYSA-N -1 1 322.348 0.712 20 0 DCADMM C[C@](CO)(NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001603565435 1169322660 /nfs/dbraw/zinc/32/26/60/1169322660.db2.gz XARPVJGOYWTEME-CYBMUJFWSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@](CO)(NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001603565435 1169322667 /nfs/dbraw/zinc/32/26/67/1169322667.db2.gz XARPVJGOYWTEME-CYBMUJFWSA-N -1 1 303.326 0.544 20 0 DCADMM C[C@H]([C@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1)N1CCOCC1 ZINC001603647912 1169341270 /nfs/dbraw/zinc/34/12/70/1169341270.db2.gz CADKVVQZANUIOU-VHSXEESVSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@H]([C@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1)N1CCOCC1 ZINC001603647912 1169341280 /nfs/dbraw/zinc/34/12/80/1169341280.db2.gz CADKVVQZANUIOU-VHSXEESVSA-N -1 1 320.353 0.299 20 0 DCADMM C[C@](O)(CNC(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001603690572 1169354444 /nfs/dbraw/zinc/35/44/44/1169354444.db2.gz LVVPMJFEUXAYHU-LBPRGKRZSA-N -1 1 323.382 0.283 20 0 DCADMM C[C@](O)(CNC(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001603690572 1169354453 /nfs/dbraw/zinc/35/44/53/1169354453.db2.gz LVVPMJFEUXAYHU-LBPRGKRZSA-N -1 1 323.382 0.283 20 0 DCADMM C[C@@H](O)C(C)(C)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603693773 1169355738 /nfs/dbraw/zinc/35/57/38/1169355738.db2.gz IHKSAIMRKVBLMC-MRVPVSSYSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@@H](O)C(C)(C)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603693773 1169355748 /nfs/dbraw/zinc/35/57/48/1169355748.db2.gz IHKSAIMRKVBLMC-MRVPVSSYSA-N -1 1 305.342 0.790 20 0 DCADMM C[C@@H](O)CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001603695801 1169358537 /nfs/dbraw/zinc/35/85/37/1169358537.db2.gz LZVJSIOFSCTXER-MRVPVSSYSA-N -1 1 303.322 0.318 20 0 DCADMM C[C@@]1(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CCCOC1 ZINC001603813215 1169400672 /nfs/dbraw/zinc/40/06/72/1169400672.db2.gz CYFZTHSVAFJRIH-GFCCVEGCSA-N -1 1 323.382 0.692 20 0 DCADMM C[C@@]1(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CCCOC1 ZINC001603813215 1169400676 /nfs/dbraw/zinc/40/06/76/1169400676.db2.gz CYFZTHSVAFJRIH-GFCCVEGCSA-N -1 1 323.382 0.692 20 0 DCADMM C[C@]1(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCCOC1 ZINC001603813503 1169400847 /nfs/dbraw/zinc/40/08/47/1169400847.db2.gz JMZYSSMDRMOWEM-ZDUSSCGKSA-N -1 1 303.326 0.952 20 0 DCADMM C[C@]1(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCCOC1 ZINC001603813503 1169400853 /nfs/dbraw/zinc/40/08/53/1169400853.db2.gz JMZYSSMDRMOWEM-ZDUSSCGKSA-N -1 1 303.326 0.952 20 0 DCADMM C[C@H]1[C@H](CO)CCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603834343 1169408141 /nfs/dbraw/zinc/40/81/41/1169408141.db2.gz JTINAVDHOOPJFI-YUMQZZPRSA-N -1 1 323.303 0.988 20 0 DCADMM C[C@H]1[C@H](CO)CCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603834343 1169408142 /nfs/dbraw/zinc/40/81/42/1169408142.db2.gz JTINAVDHOOPJFI-YUMQZZPRSA-N -1 1 323.303 0.988 20 0 DCADMM C[C@@H]1C[C@H](C)CN(C(=O)Cn2cc(-c3nn[n-]n3)ccc2=O)C1 ZINC001603847761 1169410518 /nfs/dbraw/zinc/41/05/18/1169410518.db2.gz SAJAKJSKGFOASH-PHIMTYICSA-N -1 1 316.365 0.533 20 0 DCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCS1(=O)=O ZINC001603864911 1169416235 /nfs/dbraw/zinc/41/62/35/1169416235.db2.gz LTGNRJLZWMDMDR-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCS1(=O)=O ZINC001603864911 1169416240 /nfs/dbraw/zinc/41/62/40/1169416240.db2.gz LTGNRJLZWMDMDR-HTQZYQBOSA-N -1 1 309.355 0.034 20 0 DCADMM CC(C)N1CC[C@@H](N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001603887992 1169423914 /nfs/dbraw/zinc/42/39/14/1169423914.db2.gz LTIPAPSINVHWFQ-WCQYABFASA-N -1 1 321.381 0.623 20 0 DCADMM C[C@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@@H]1CO ZINC001603900737 1169426529 /nfs/dbraw/zinc/42/65/29/1169426529.db2.gz LDDFPQJGNQOGSC-CMPLNLGQSA-N -1 1 316.365 0.281 20 0 DCADMM C[C@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@@H]1CO ZINC001603900737 1169426533 /nfs/dbraw/zinc/42/65/33/1169426533.db2.gz LDDFPQJGNQOGSC-CMPLNLGQSA-N -1 1 316.365 0.281 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)C[C@H](C2CC2)O1 ZINC001603933001 1169440784 /nfs/dbraw/zinc/44/07/84/1169440784.db2.gz ZFUQMQZGVVYTJI-NOZJJQNGSA-N -1 1 314.349 0.901 20 0 DCADMM C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)C[C@H](C2CC2)O1 ZINC001603933001 1169440788 /nfs/dbraw/zinc/44/07/88/1169440788.db2.gz ZFUQMQZGVVYTJI-NOZJJQNGSA-N -1 1 314.349 0.901 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC001603938704 1169443183 /nfs/dbraw/zinc/44/31/83/1169443183.db2.gz NKKLDPZQTHBLQA-ZETCQYMHSA-N -1 1 315.380 0.338 20 0 DCADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001603938704 1169443187 /nfs/dbraw/zinc/44/31/87/1169443187.db2.gz NKKLDPZQTHBLQA-ZETCQYMHSA-N -1 1 315.380 0.338 20 0 DCADMM C/C=C(/C)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001603958875 1169453761 /nfs/dbraw/zinc/45/37/61/1169453761.db2.gz RDYABMHGSQTDDY-BSKOKIOFSA-N -1 1 316.369 0.882 20 0 DCADMM C/C=C(/C)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001603958875 1169453763 /nfs/dbraw/zinc/45/37/63/1169453763.db2.gz RDYABMHGSQTDDY-BSKOKIOFSA-N -1 1 316.369 0.882 20 0 DCADMM CCC(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001603969068 1169456940 /nfs/dbraw/zinc/45/69/40/1169456940.db2.gz LWYPJKZBPWSVPZ-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001603969068 1169456946 /nfs/dbraw/zinc/45/69/46/1169456946.db2.gz LWYPJKZBPWSVPZ-JTQLQIEISA-N -1 1 316.369 0.494 20 0 DCADMM CCC(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001603970604 1169458417 /nfs/dbraw/zinc/45/84/17/1169458417.db2.gz KIFMVXZRMKFFLZ-UHFFFAOYSA-N -1 1 313.774 0.993 20 0 DCADMM CCC(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001603970604 1169458434 /nfs/dbraw/zinc/45/84/34/1169458434.db2.gz KIFMVXZRMKFFLZ-UHFFFAOYSA-N -1 1 313.774 0.993 20 0 DCADMM CCC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603972785 1169459166 /nfs/dbraw/zinc/45/91/66/1169459166.db2.gz UZVIYTILRUVUKU-VIFPVBQESA-N -1 1 302.342 0.009 20 0 DCADMM CCC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603972785 1169459174 /nfs/dbraw/zinc/45/91/74/1169459174.db2.gz UZVIYTILRUVUKU-VIFPVBQESA-N -1 1 302.342 0.009 20 0 DCADMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001603971810 1169459552 /nfs/dbraw/zinc/45/95/52/1169459552.db2.gz ROHTVVYJHXTPEK-IUCAKERBSA-N -1 1 322.283 0.979 20 0 DCADMM CC[C@@H](C)C(=O)N(C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001603993420 1169465381 /nfs/dbraw/zinc/46/53/81/1169465381.db2.gz YEBAYOYLCLZMGV-SNVBAGLBSA-N -1 1 318.385 0.385 20 0 DCADMM CC[C@@H](C)[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)OC ZINC001603998191 1169467745 /nfs/dbraw/zinc/46/77/45/1169467745.db2.gz COVGBKSAIRMNSM-GMSGAONNSA-N -1 1 307.310 0.777 20 0 DCADMM CC[C@@H](C)[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)OC ZINC001603998191 1169467785 /nfs/dbraw/zinc/46/77/85/1169467785.db2.gz COVGBKSAIRMNSM-GMSGAONNSA-N -1 1 307.310 0.777 20 0 DCADMM CC(C)c1nc(CNC(=O)Cn2cccc(C(=O)[O-])c2=O)n[nH]1 ZINC001604020897 1169472969 /nfs/dbraw/zinc/47/29/69/1169472969.db2.gz DVMPPMGSGMHIBY-UHFFFAOYSA-N -1 1 319.321 0.104 20 0 DCADMM CC[C@H](CNC(=O)C(C)(C)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001604028566 1169475150 /nfs/dbraw/zinc/47/51/50/1169475150.db2.gz JOFSCTHIIHHALV-MRVPVSSYSA-N -1 1 322.348 0.133 20 0 DCADMM CC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)[C@@H](O)C(F)(F)F ZINC001604063270 1169484836 /nfs/dbraw/zinc/48/48/36/1169484836.db2.gz CXMSSYKLZPTMMZ-YLWLKBPMSA-N -1 1 303.248 0.770 20 0 DCADMM CC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)[C@@H](O)C(F)(F)F ZINC001604063270 1169484849 /nfs/dbraw/zinc/48/48/49/1169484849.db2.gz CXMSSYKLZPTMMZ-YLWLKBPMSA-N -1 1 303.248 0.770 20 0 DCADMM CCC1(C(=O)N(C)CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001604074041 1169486215 /nfs/dbraw/zinc/48/62/15/1169486215.db2.gz DEMGTEQGOSCZMS-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCC1(C(=O)N(C)CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001604074041 1169486221 /nfs/dbraw/zinc/48/62/21/1169486221.db2.gz DEMGTEQGOSCZMS-UHFFFAOYSA-N -1 1 316.369 0.717 20 0 DCADMM CCCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001604126277 1169499366 /nfs/dbraw/zinc/49/93/66/1169499366.db2.gz IWEONQKGWSHHKD-RKDXNWHRSA-N -1 1 304.358 0.762 20 0 DCADMM CCCC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001604126277 1169499374 /nfs/dbraw/zinc/49/93/74/1169499374.db2.gz IWEONQKGWSHHKD-RKDXNWHRSA-N -1 1 304.358 0.762 20 0 DCADMM CCCC(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001604126309 1169499950 /nfs/dbraw/zinc/49/99/50/1169499950.db2.gz KQSGCYYSKKDSIK-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCCC(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001604126309 1169499955 /nfs/dbraw/zinc/49/99/55/1169499955.db2.gz KQSGCYYSKKDSIK-VIFPVBQESA-N -1 1 304.358 0.764 20 0 DCADMM CCC[C@]1(CO)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001604154062 1169507410 /nfs/dbraw/zinc/50/74/10/1169507410.db2.gz RTLBFJIECPXLKR-AWEZNQCLSA-N -1 1 303.370 0.954 20 0 DCADMM CCC[C@]1(CO)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001604154062 1169507414 /nfs/dbraw/zinc/50/74/14/1169507414.db2.gz RTLBFJIECPXLKR-AWEZNQCLSA-N -1 1 303.370 0.954 20 0 DCADMM CCC[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001604152035 1169507557 /nfs/dbraw/zinc/50/75/57/1169507557.db2.gz 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CCOC(=O)[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001604369619 1169571789 /nfs/dbraw/zinc/57/17/89/1169571789.db2.gz FLENMFWYDZKQSM-VIFPVBQESA-N -1 1 303.326 0.355 20 0 DCADMM CCOC(=O)C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C(C)=O ZINC001604371221 1169572743 /nfs/dbraw/zinc/57/27/43/1169572743.db2.gz BGFISUNDVVLDKF-SNVBAGLBSA-N -1 1 322.277 0.527 20 0 DCADMM CCOC(=O)c1cnn(CCOC(F)F)c1-c1nn[n-]n1 ZINC001604391206 1169581894 /nfs/dbraw/zinc/58/18/94/1169581894.db2.gz VCVNHJDTBZRXMJ-UHFFFAOYSA-N -1 1 302.241 0.479 20 0 DCADMM CCOC(=O)c1cnn(CCc2ccncc2)c1-c1nn[n-]n1 ZINC001604391407 1169581936 /nfs/dbraw/zinc/58/19/36/1169581936.db2.gz ZQZJANAXPZLJQE-UHFFFAOYSA-N -1 1 313.321 0.878 20 0 DCADMM CCS(=O)(=O)C1(CNc2cc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001604472491 1169597804 /nfs/dbraw/zinc/59/78/04/1169597804.db2.gz NISDWFXSABAOOU-UHFFFAOYSA-N -1 1 322.394 0.949 20 0 DCADMM CCS(=O)(=O)C1(CNc2cc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001604472491 1169597809 /nfs/dbraw/zinc/59/78/09/1169597809.db2.gz 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Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@](C)(C3CC3)C2)n1 ZINC001605563457 1169961553 /nfs/dbraw/zinc/96/15/53/1169961553.db2.gz WFXACJBGMHQGSS-CQSZACIVSA-N -1 1 301.354 0.970 20 0 DCADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)n1 ZINC001605573268 1169962231 /nfs/dbraw/zinc/96/22/31/1169962231.db2.gz WTRCFGIHPYVAGQ-DTWKUNHWSA-N -1 1 323.382 0.343 20 0 DCADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)n1 ZINC001605573268 1169962235 /nfs/dbraw/zinc/96/22/35/1169962235.db2.gz WTRCFGIHPYVAGQ-DTWKUNHWSA-N -1 1 323.382 0.343 20 0 DCADMM CCOC(=O)c1noc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])n1 ZINC001605582996 1169965246 /nfs/dbraw/zinc/96/52/46/1169965246.db2.gz UGIIMXOLPHQJPN-QXEWZRGKSA-N -1 1 309.322 0.931 20 0 DCADMM Cc1cc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)c(C)s1 ZINC001605671962 1169983793 /nfs/dbraw/zinc/98/37/93/1169983793.db2.gz YOHNALQQWUDYRH-UHFFFAOYSA-N -1 1 304.335 0.856 20 0 DCADMM Cc1ccc(N2CCO[C@@H]([C@@H]3CCCO3)C2)c(-c2nnn[n-]2)n1 ZINC001605867287 1170016932 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Cc1n[nH]c(C)c1CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606009167 1170047184 /nfs/dbraw/zinc/04/71/84/1170047184.db2.gz CUDPWNHVJNPGCS-UHFFFAOYSA-N -1 1 312.337 0.574 20 0 DCADMM Cc1n[nH]c(C)c1CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606009167 1170047187 /nfs/dbraw/zinc/04/71/87/1170047187.db2.gz CUDPWNHVJNPGCS-UHFFFAOYSA-N -1 1 312.337 0.574 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1-c1nn[n-]n1 ZINC001606013895 1170049161 /nfs/dbraw/zinc/04/91/61/1170049161.db2.gz YZRCPBPFFAVXBL-XLPZGREQSA-N -1 1 301.310 0.452 20 0 DCADMM Cc1[nH]nc(NC(=O)[C@H]2Cc3cccnc3C2)c1-c1nn[n-]n1 ZINC001606013297 1170049726 /nfs/dbraw/zinc/04/97/26/1170049726.db2.gz KWPZCYLNUXQDQU-VIFPVBQESA-N -1 1 310.321 0.647 20 0 DCADMM Cc1nc(CN(C)c2cc(-c3nnn[n-]3)nc(C3CC3)n2)no1 ZINC001606042047 1170062656 /nfs/dbraw/zinc/06/26/56/1170062656.db2.gz HVGZGPRTVRMVKN-UHFFFAOYSA-N -1 1 313.325 0.862 20 0 DCADMM Cc1nc(CN(C)c2cc(-c3nn[n-]n3)nc(C3CC3)n2)no1 ZINC001606042047 1170062664 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Cc1nnc(COC(=O)c2cccc(-c3nn[n-]n3)n2)n1C ZINC001606120446 1170082520 /nfs/dbraw/zinc/08/25/20/1170082520.db2.gz VSPDVYMMODFWCH-UHFFFAOYSA-N -1 1 300.282 0.056 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](C)C2(CO)CC2)c1-c1nnn[n-]1 ZINC001606152114 1170096658 /nfs/dbraw/zinc/09/66/58/1170096658.db2.gz OZKOLGFYXQZEPJ-ZETCQYMHSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NC(=O)N[C@@H](C)C2(CO)CC2)c1-c1nn[n-]n1 ZINC001606152114 1170096671 /nfs/dbraw/zinc/09/66/71/1170096671.db2.gz OZKOLGFYXQZEPJ-ZETCQYMHSA-N -1 1 323.382 0.914 20 0 DCADMM Cc1nsc(NCc2nc(C(N)=O)co2)c1-c1nn[n-]n1 ZINC001606162895 1170098617 /nfs/dbraw/zinc/09/86/17/1170098617.db2.gz RPAICLVJDCWOIK-UHFFFAOYSA-N -1 1 306.311 0.331 20 0 DCADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001606167676 1170099511 /nfs/dbraw/zinc/09/95/11/1170099511.db2.gz SREVFUZYNMLAFX-RKDXNWHRSA-N -1 1 318.337 0.542 20 0 DCADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001606167676 1170099518 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